NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11044 | 1qtg | 4540 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H MET 1 1H MET 1 -12.258 -8.664 -15.317 2 2H MET 1 2H MET 1 -12.514 -10.099 -16.191 3 3H MET 1 3H MET 1 -13.697 -9.537 -15.109 4 HA MET 1 HA MET 1 -13.662 -7.425 -16.631 5 1HB MET 1 2HB MET 1 -13.014 -8.028 -18.911 6 2HB MET 1 1HB MET 1 -11.670 -8.370 -17.821 7 1HG MET 1 2HG MET 1 -11.675 -10.463 -18.670 8 2HG MET 1 1HG MET 1 -13.174 -10.715 -17.778 9 1HE MET 1 1HE MET 1 -14.613 -12.406 -20.481 10 2HE MET 1 2HE MET 1 -13.430 -12.479 -19.176 11 3HE MET 1 3HE MET 1 -12.882 -12.433 -20.851 12 H LYS 2 H LYS 2 -14.258 -10.419 -18.407 13 HA LYS 2 HA LYS 2 -16.924 -9.994 -19.061 14 1HB LYS 2 2HB LYS 2 -15.737 -11.818 -20.014 15 2HB LYS 2 1HB LYS 2 -15.323 -12.478 -18.431 16 1HG LYS 2 2HG LYS 2 -18.119 -12.331 -19.598 17 2HG LYS 2 1HG LYS 2 -17.129 -13.788 -19.489 18 1HD LYS 2 2HD LYS 2 -17.702 -14.105 -17.334 19 2HD LYS 2 1HD LYS 2 -17.280 -12.443 -16.920 20 1HE LYS 2 2HE LYS 2 -19.565 -11.910 -18.191 21 2HE LYS 2 1HE LYS 2 -19.936 -13.577 -17.710 22 1HZ LYS 2 1HZ LYS 2 -20.089 -11.395 -16.083 23 2HZ LYS 2 2HZ LYS 2 -18.602 -12.095 -15.654 24 3HZ LYS 2 3HZ LYS 2 -20.032 -13.010 -15.568 25 H GLY 3 H GLY 3 -15.754 -10.189 -15.927 26 1HA GLY 3 2HA GLY 3 -18.474 -10.430 -14.844 27 2HA GLY 3 1HA GLY 3 -17.369 -11.715 -14.351 28 H MET 4 H MET 4 -18.395 -10.074 -12.395 29 HA MET 4 HA MET 4 -17.767 -8.030 -11.114 30 1HB MET 4 2HB MET 4 -15.848 -10.306 -10.530 31 2HB MET 4 1HB MET 4 -16.457 -9.114 -9.380 32 1HG MET 4 2HG MET 4 -18.000 -10.729 -8.914 33 2HG MET 4 1HG MET 4 -18.799 -10.097 -10.354 34 1HE MET 4 1HE MET 4 -19.185 -11.088 -12.328 35 2HE MET 4 2HE MET 4 -18.487 -12.545 -13.031 36 3HE MET 4 3HE MET 4 -17.520 -11.077 -12.925 37 H SER 5 H SER 5 -16.432 -7.851 -13.742 38 HA SER 5 HA SER 5 -13.599 -7.550 -13.515 39 1HB SER 5 2HB SER 5 -14.170 -5.891 -15.492 40 2HB SER 5 1HB SER 5 -14.465 -7.618 -15.684 41 HG SER 5 HG SER 5 -16.303 -5.563 -15.023 42 H LYS 6 H LYS 6 -14.158 -6.474 -11.159 43 HA LYS 6 HA LYS 6 -13.447 -3.628 -11.471 44 1HB LYS 6 2HB LYS 6 -15.748 -4.114 -9.659 45 2HB LYS 6 1HB LYS 6 -15.445 -2.761 -10.749 46 1HG LYS 6 2HG LYS 6 -16.716 -3.688 -12.360 47 2HG LYS 6 1HG LYS 6 -15.834 -5.211 -12.248 48 1HD LYS 6 2HD LYS 6 -17.201 -5.741 -10.185 49 2HD LYS 6 1HD LYS 6 -18.185 -4.325 -10.557 50 1HE LYS 6 2HE LYS 6 -18.489 -6.935 -11.621 51 2HE LYS 6 1HE LYS 6 -19.329 -5.465 -12.152 52 1HZ LYS 6 1HZ LYS 6 -17.128 -6.837 -13.378 53 2HZ LYS 6 2HZ LYS 6 -16.815 -5.183 -13.151 54 3HZ LYS 6 3HZ LYS 6 -18.176 -5.679 -14.037 55 H MET 7 H MET 7 -15.018 -4.981 -8.631 56 HA MET 7 HA MET 7 -13.299 -4.263 -6.649 57 1HB MET 7 2HB MET 7 -15.365 -6.054 -6.959 58 2HB MET 7 1HB MET 7 -14.033 -7.116 -6.499 59 1HG MET 7 2HG MET 7 -13.628 -5.870 -4.483 60 2HG MET 7 1HG MET 7 -14.728 -4.588 -4.986 61 1HE MET 7 1HE MET 7 -16.264 -6.074 -1.914 62 2HE MET 7 2HE MET 7 -14.700 -5.478 -2.465 63 3HE MET 7 3HE MET 7 -14.923 -7.200 -2.169 64 HA PRO 8 HA PRO 8 -9.650 -6.342 -8.485 65 1HB PRO 8 2HB PRO 8 -7.865 -4.445 -7.645 66 2HB PRO 8 1HB PRO 8 -8.797 -4.296 -9.148 67 1HG PRO 8 2HG PRO 8 -9.261 -3.021 -6.501 68 2HG PRO 8 1HG PRO 8 -9.473 -2.356 -8.128 69 1HD PRO 8 2HD PRO 8 -11.536 -3.252 -6.576 70 2HD PRO 8 1HD PRO 8 -11.573 -3.233 -8.354 71 H GLN 9 H GLN 9 -7.898 -7.419 -7.346 72 HA GLN 9 HA GLN 9 -8.494 -8.162 -4.622 73 1HB GLN 9 2HB GLN 9 -6.480 -8.711 -6.732 74 2HB GLN 9 1HB GLN 9 -5.946 -9.011 -5.078 75 1HG GLN 9 2HG GLN 9 -8.548 -10.061 -5.205 76 2HG GLN 9 1HG GLN 9 -7.777 -10.557 -6.713 77 1HE2 GLN 9 1HE2 GLN 9 -6.947 -12.630 -6.409 78 2HE2 GLN 9 2HE2 GLN 9 -6.090 -13.142 -5.035 79 H PHE 10 H PHE 10 -7.466 -5.257 -5.593 80 HA PHE 10 HA PHE 10 -5.356 -4.931 -3.503 81 1HB PHE 10 2HB PHE 10 -5.143 -4.231 -5.982 82 2HB PHE 10 1HB PHE 10 -6.260 -2.928 -5.578 83 HD1 PHE 10 HD1 PHE 10 -5.488 -0.961 -4.529 84 HD2 PHE 10 HD2 PHE 10 -3.012 -4.470 -4.561 85 HE1 PHE 10 HE1 PHE 10 -3.613 0.353 -3.578 86 HE2 PHE 10 HE2 PHE 10 -1.136 -3.156 -3.608 87 HZ PHE 10 HZ PHE 10 -1.438 -0.744 -3.118 88 H LEU 11 H LEU 11 -8.424 -3.487 -4.640 89 HA LEU 11 HA LEU 11 -8.620 -1.623 -2.418 90 1HB LEU 11 2HB LEU 11 -10.700 -2.699 -4.351 91 2HB LEU 11 1HB LEU 11 -10.842 -1.223 -3.394 92 HG LEU 11 HG LEU 11 -8.635 -1.717 -5.410 93 1HD1 LEU 11 1HD1 LEU 11 -9.862 -0.274 -6.924 94 2HD1 LEU 11 2HD1 LEU 11 -11.115 0.001 -5.713 95 3HD1 LEU 11 3HD1 LEU 11 -10.926 -1.595 -6.440 96 1HD2 LEU 11 1HD2 LEU 11 -8.653 0.021 -3.330 97 2HD2 LEU 11 2HD2 LEU 11 -9.480 0.998 -4.543 98 3HD2 LEU 11 3HD2 LEU 11 -7.863 0.375 -4.868 99 H ASN 12 H ASN 12 -9.261 -4.982 -2.783 100 HA ASN 12 HA ASN 12 -11.473 -5.567 -1.222 101 1HB ASN 12 2HB ASN 12 -9.392 -6.931 -2.300 102 2HB ASN 12 1HB ASN 12 -8.977 -7.053 -0.589 103 1HD2 ASN 12 1HD2 ASN 12 -9.829 -9.335 -2.157 104 2HD2 ASN 12 2HD2 ASN 12 -11.316 -9.863 -1.534 105 H ARG 13 H ARG 13 -8.466 -4.120 -0.169 106 HA ARG 13 HA ARG 13 -9.051 -4.560 2.694 107 1HB ARG 13 2HB ARG 13 -6.811 -3.913 0.984 108 2HB ARG 13 1HB ARG 13 -6.922 -2.735 2.292 109 1HG ARG 13 2HG ARG 13 -7.395 -5.077 3.634 110 2HG ARG 13 1HG ARG 13 -6.248 -5.604 2.402 111 1HD ARG 13 2HD ARG 13 -4.643 -3.903 3.087 112 2HD ARG 13 1HD ARG 13 -5.812 -3.217 4.233 113 HE ARG 13 HE ARG 13 -5.017 -6.081 4.497 114 1HH1 ARG 13 1HH1 ARG 13 -2.938 -4.333 5.655 115 2HH1 ARG 13 2HH1 ARG 13 -3.492 -4.096 7.279 116 1HH2 ARG 13 1HH2 ARG 13 -6.729 -5.142 6.609 117 2HH2 ARG 13 2HH2 ARG 13 -5.639 -4.553 7.819 118 H TRP 14 H TRP 14 -10.154 -2.450 0.373 119 HA TRP 14 HA TRP 14 -10.199 -0.050 2.126 120 1HB TRP 14 2HB TRP 14 -10.945 -0.677 -0.739 121 2HB TRP 14 1HB TRP 14 -11.301 0.884 0.000 122 HD1 TRP 14 HD1 TRP 14 -8.163 -0.685 1.254 123 HE1 TRP 14 HE1 TRP 14 -6.111 0.515 0.255 124 HE3 TRP 14 HE3 TRP 14 -10.454 2.142 -2.329 125 HZ2 TRP 14 HZ2 TRP 14 -5.521 2.422 -1.793 126 HZ3 TRP 14 HZ3 TRP 14 -9.124 3.640 -3.788 127 HH2 TRP 14 HH2 TRP 14 -6.663 3.784 -3.526 128 HA PRO 15 HA PRO 15 -14.300 -0.868 3.489 129 1HB PRO 15 2HB PRO 15 -15.128 1.688 4.005 130 2HB PRO 15 1HB PRO 15 -13.976 0.819 5.038 131 1HG PRO 15 2HG PRO 15 -13.470 2.895 2.969 132 2HG PRO 15 1HG PRO 15 -12.679 2.641 4.532 133 1HD PRO 15 2HD PRO 15 -11.592 1.888 2.140 134 2HD PRO 15 1HD PRO 15 -11.218 1.099 3.689 135 H ARG 16 H ARG 16 -16.313 -1.066 2.495 136 HA ARG 16 HA ARG 16 -16.786 -0.671 -0.197 137 1HB ARG 16 2HB ARG 16 -18.183 -1.764 1.697 138 2HB ARG 16 1HB ARG 16 -18.916 -0.169 1.884 139 1HG ARG 16 2HG ARG 16 -19.842 -0.203 -0.280 140 2HG ARG 16 1HG ARG 16 -18.747 -1.473 -0.827 141 1HD ARG 16 2HD ARG 16 -20.033 -2.723 1.262 142 2HD ARG 16 1HD ARG 16 -21.326 -1.717 0.580 143 HE ARG 16 HE ARG 16 -20.278 -4.034 -0.691 144 1HH1 ARG 16 1HH1 ARG 16 -19.993 -0.781 -1.585 145 2HH1 ARG 16 2HH1 ARG 16 -20.706 -0.981 -3.151 146 1HH2 ARG 16 1HH2 ARG 16 -21.617 -4.282 -2.609 147 2HH2 ARG 16 2HH2 ARG 16 -21.625 -2.963 -3.730 148 H GLU 17 H GLU 17 -16.941 1.761 2.348 149 HA GLU 17 HA GLU 17 -18.412 3.808 1.076 150 1HB GLU 17 2HB GLU 17 -16.161 3.644 3.057 151 2HB GLU 17 1HB GLU 17 -16.675 5.229 2.480 152 1HG GLU 17 2HG GLU 17 -18.145 5.034 4.233 153 2HG GLU 17 1HG GLU 17 -19.092 4.177 3.016 154 H VAL 18 H VAL 18 -14.897 3.136 0.887 155 HA VAL 18 HA VAL 18 -14.382 5.270 -1.016 156 HB VAL 18 HB VAL 18 -12.584 2.910 -0.799 157 1HG1 VAL 18 1HG1 VAL 18 -10.904 4.566 -0.732 158 2HG1 VAL 18 2HG1 VAL 18 -12.014 5.793 -0.120 159 3HG1 VAL 18 3HG1 VAL 18 -12.125 5.262 -1.799 160 1HG2 VAL 18 1HG2 VAL 18 -13.222 4.691 1.576 161 2HG2 VAL 18 2HG2 VAL 18 -11.941 3.480 1.512 162 3HG2 VAL 18 3HG2 VAL 18 -13.632 2.981 1.445 163 H LEU 19 H LEU 19 -13.776 1.788 -1.533 164 HA LEU 19 HA LEU 19 -13.587 1.444 -4.163 165 1HB LEU 19 2HB LEU 19 -15.290 0.089 -2.116 166 2HB LEU 19 1HB LEU 19 -15.494 -0.407 -3.796 167 HG LEU 19 HG LEU 19 -12.806 -0.397 -3.687 168 1HD1 LEU 19 1HD1 LEU 19 -12.568 -1.685 -1.307 169 2HD1 LEU 19 2HD1 LEU 19 -13.784 -0.478 -0.888 170 3HD1 LEU 19 3HD1 LEU 19 -12.218 0.031 -1.518 171 1HD2 LEU 19 1HD2 LEU 19 -14.927 -2.386 -3.363 172 2HD2 LEU 19 2HD2 LEU 19 -13.409 -2.899 -2.627 173 3HD2 LEU 19 3HD2 LEU 19 -13.458 -2.466 -4.336 174 H ASP 20 H ASP 20 -16.894 1.772 -2.801 175 HA ASP 20 HA ASP 20 -18.360 2.036 -5.150 176 1HB ASP 20 2HB ASP 20 -18.534 3.213 -2.391 177 2HB ASP 20 1HB ASP 20 -19.720 3.690 -3.606 178 H LEU 21 H LEU 21 -16.581 4.619 -3.437 179 HA LEU 21 HA LEU 21 -17.344 6.764 -5.182 180 1HB LEU 21 2HB LEU 21 -15.791 6.309 -2.873 181 2HB LEU 21 1HB LEU 21 -14.688 7.025 -4.049 182 HG LEU 21 HG LEU 21 -17.365 8.279 -3.900 183 1HD1 LEU 21 1HD1 LEU 21 -16.038 7.695 -1.485 184 2HD1 LEU 21 2HD1 LEU 21 -17.356 8.844 -1.719 185 3HD1 LEU 21 3HD1 LEU 21 -15.682 9.389 -1.820 186 1HD2 LEU 21 1HD2 LEU 21 -15.999 10.308 -4.122 187 2HD2 LEU 21 2HD2 LEU 21 -15.487 9.109 -5.309 188 3HD2 LEU 21 3HD2 LEU 21 -14.531 9.369 -3.849 189 H VAL 22 H VAL 22 -14.558 4.533 -5.213 190 HA VAL 22 HA VAL 22 -13.233 5.747 -7.471 191 HB VAL 22 HB VAL 22 -13.167 2.933 -6.329 192 1HG1 VAL 22 1HG1 VAL 22 -10.845 2.954 -7.329 193 2HG1 VAL 22 2HG1 VAL 22 -11.288 4.440 -8.170 194 3HG1 VAL 22 3HG1 VAL 22 -12.148 2.940 -8.517 195 1HG2 VAL 22 1HG2 VAL 22 -12.544 5.265 -5.039 196 2HG2 VAL 22 2HG2 VAL 22 -10.995 4.864 -5.778 197 3HG2 VAL 22 3HG2 VAL 22 -11.778 3.714 -4.695 198 H ARG 23 H ARG 23 -15.102 2.686 -7.253 199 HA ARG 23 HA ARG 23 -15.210 2.042 -9.978 200 1HB ARG 23 2HB ARG 23 -16.991 1.661 -7.592 201 2HB ARG 23 1HB ARG 23 -17.566 1.127 -9.172 202 1HG ARG 23 2HG ARG 23 -16.111 -0.614 -9.245 203 2HG ARG 23 1HG ARG 23 -14.786 0.351 -8.593 204 1HD ARG 23 2HD ARG 23 -15.572 -1.537 -7.073 205 2HD ARG 23 1HD ARG 23 -15.619 0.071 -6.324 206 HE ARG 23 HE ARG 23 -18.095 -0.025 -7.390 207 1HH1 ARG 23 1HH1 ARG 23 -18.871 -2.563 -7.742 208 2HH1 ARG 23 2HH1 ARG 23 -19.111 -3.288 -6.188 209 1HH2 ARG 23 1HH2 ARG 23 -17.278 -0.885 -4.489 210 2HH2 ARG 23 2HH2 ARG 23 -18.209 -2.339 -4.346 211 H LYS 24 H LYS 24 -16.971 4.535 -8.231 212 HA LYS 24 HA LYS 24 -18.874 5.024 -10.416 213 1HB LYS 24 2HB LYS 24 -19.229 5.307 -7.896 214 2HB LYS 24 1HB LYS 24 -18.222 6.750 -8.016 215 1HG LYS 24 2HG LYS 24 -19.791 7.558 -9.844 216 2HG LYS 24 1HG LYS 24 -20.861 6.227 -9.401 217 1HD LYS 24 2HD LYS 24 -20.978 8.698 -8.259 218 2HD LYS 24 1HD LYS 24 -21.505 7.221 -7.452 219 1HE LYS 24 2HE LYS 24 -18.867 7.113 -6.860 220 2HE LYS 24 1HE LYS 24 -19.080 8.873 -6.959 221 1HZ LYS 24 1HZ LYS 24 -19.675 8.234 -4.766 222 2HZ LYS 24 2HZ LYS 24 -20.646 6.955 -5.322 223 3HZ LYS 24 3HZ LYS 24 -21.125 8.564 -5.582 224 H VAL 25 H VAL 25 -16.128 6.804 -8.949 225 HA VAL 25 HA VAL 25 -16.131 8.993 -10.786 226 HB VAL 25 HB VAL 25 -13.931 7.671 -9.166 227 1HG1 VAL 25 1HG1 VAL 25 -13.905 10.554 -9.984 228 2HG1 VAL 25 2HG1 VAL 25 -13.380 9.340 -11.151 229 3HG1 VAL 25 3HG1 VAL 25 -12.553 9.489 -9.600 230 1HG2 VAL 25 1HG2 VAL 25 -14.463 9.333 -7.488 231 2HG2 VAL 25 2HG2 VAL 25 -15.965 8.526 -7.937 232 3HG2 VAL 25 3HG2 VAL 25 -15.603 10.131 -8.572 233 H ALA 26 H ALA 26 -15.083 5.702 -11.137 234 HA ALA 26 HA ALA 26 -13.180 6.182 -13.301 235 1HB ALA 26 1HB ALA 26 -14.409 3.922 -11.817 236 2HB ALA 26 2HB ALA 26 -12.724 4.183 -12.271 237 3HB ALA 26 3HB ALA 26 -13.870 3.556 -13.456 238 H GLU 27 H GLU 27 -16.637 5.672 -13.039 239 HA GLU 27 HA GLU 27 -17.031 4.933 -15.840 240 1HB GLU 27 2HB GLU 27 -18.464 4.960 -13.401 241 2HB GLU 27 1HB GLU 27 -19.350 6.021 -14.496 242 1HG GLU 27 2HG GLU 27 -19.389 4.253 -16.204 243 2HG GLU 27 1HG GLU 27 -18.471 3.190 -15.137 244 H GLU 28 H GLU 28 -17.394 7.904 -13.897 245 HA GLU 28 HA GLU 28 -18.439 9.523 -16.053 246 1HB GLU 28 2HB GLU 28 -17.148 11.168 -14.186 247 2HB GLU 28 1HB GLU 28 -18.840 10.667 -14.139 248 1HG GLU 28 2HG GLU 28 -18.264 8.699 -12.819 249 2HG GLU 28 1HG GLU 28 -16.547 9.086 -12.941 250 H ASN 29 H ASN 29 -15.196 8.674 -14.966 251 HA ASN 29 HA ASN 29 -13.872 10.734 -16.583 252 1HB ASN 29 2HB ASN 29 -13.144 8.470 -14.766 253 2HB ASN 29 1HB ASN 29 -11.907 9.069 -15.873 254 1HD2 ASN 29 1HD2 ASN 29 -12.026 9.386 -12.887 255 2HD2 ASN 29 2HD2 ASN 29 -12.001 11.061 -12.608 256 H GLY 30 H GLY 30 -15.016 7.482 -17.049 257 1HA GLY 30 2HA GLY 30 -15.155 6.295 -19.097 258 2HA GLY 30 1HA GLY 30 -14.202 7.568 -19.862 259 H ARG 31 H ARG 31 -13.608 5.296 -17.155 260 HA ARG 31 HA ARG 31 -11.456 3.958 -18.622 261 1HB ARG 31 2HB ARG 31 -9.686 4.802 -17.076 262 2HB ARG 31 1HB ARG 31 -10.409 6.097 -18.030 263 1HG ARG 31 2HG ARG 31 -11.745 6.839 -16.196 264 2HG ARG 31 1HG ARG 31 -11.401 5.381 -15.266 265 1HD ARG 31 2HD ARG 31 -9.974 7.054 -14.327 266 2HD ARG 31 1HD ARG 31 -8.914 6.121 -15.401 267 HE ARG 31 HE ARG 31 -9.599 7.922 -17.166 268 1HH1 ARG 31 1HH1 ARG 31 -8.139 8.308 -14.179 269 2HH1 ARG 31 2HH1 ARG 31 -8.289 10.033 -14.127 270 1HH2 ARG 31 1HH2 ARG 31 -10.316 10.208 -16.934 271 2HH2 ARG 31 2HH2 ARG 31 -9.522 11.108 -15.686 272 H SER 32 H SER 32 -10.217 2.484 -16.958 273 HA SER 32 HA SER 32 -12.243 1.053 -15.389 274 1HB SER 32 2HB SER 32 -10.544 -0.626 -15.276 275 2HB SER 32 1HB SER 32 -10.368 0.110 -16.866 276 HG SER 32 HG SER 32 -8.466 -0.167 -15.256 277 H VAL 33 H VAL 33 -11.085 0.161 -13.162 278 HA VAL 33 HA VAL 33 -10.979 2.496 -11.414 279 HB VAL 33 HB VAL 33 -10.617 -0.492 -11.032 280 1HG1 VAL 33 1HG1 VAL 33 -11.360 0.775 -8.610 281 2HG1 VAL 33 2HG1 VAL 33 -9.997 1.691 -9.252 282 3HG1 VAL 33 3HG1 VAL 33 -9.838 -0.041 -8.968 283 1HG2 VAL 33 1HG2 VAL 33 -12.902 1.423 -10.455 284 2HG2 VAL 33 2HG2 VAL 33 -12.888 -0.287 -10.021 285 3HG2 VAL 33 3HG2 VAL 33 -12.868 0.193 -11.718 286 H ASN 34 H ASN 34 -8.648 -0.075 -12.313 287 HA ASN 34 HA ASN 34 -6.429 0.773 -10.807 288 1HB ASN 34 2HB ASN 34 -7.004 -1.158 -12.645 289 2HB ASN 34 1HB ASN 34 -5.929 -0.124 -13.587 290 1HD2 ASN 34 1HD2 ASN 34 -4.770 -2.487 -13.135 291 2HD2 ASN 34 2HD2 ASN 34 -3.657 -2.440 -11.853 292 H SER 35 H SER 35 -7.590 1.963 -13.954 293 HA SER 35 HA SER 35 -5.354 3.694 -14.500 294 1HB SER 35 2HB SER 35 -8.243 3.996 -15.364 295 2HB SER 35 1HB SER 35 -6.808 4.537 -16.231 296 HG SER 35 HG SER 35 -7.443 2.602 -17.119 297 H GLU 36 H GLU 36 -8.339 4.090 -12.646 298 HA GLU 36 HA GLU 36 -8.155 6.970 -12.366 299 1HB GLU 36 2HB GLU 36 -10.145 5.330 -12.092 300 2HB GLU 36 1HB GLU 36 -9.505 5.042 -10.473 301 1HG GLU 36 2HG GLU 36 -11.283 6.882 -10.689 302 2HG GLU 36 1HG GLU 36 -9.802 7.315 -9.836 303 H ILE 37 H ILE 37 -7.160 4.207 -10.339 304 HA ILE 37 HA ILE 37 -6.228 5.774 -8.110 305 HB ILE 37 HB ILE 37 -5.367 3.037 -9.102 306 1HG1 ILE 37 2HG1 ILE 37 -7.909 4.034 -8.104 307 2HG1 ILE 37 1HG1 ILE 37 -7.513 2.434 -8.732 308 1HG2 ILE 37 1HG2 ILE 37 -5.086 4.550 -6.526 309 2HG2 ILE 37 2HG2 ILE 37 -3.914 3.520 -7.349 310 3HG2 ILE 37 3HG2 ILE 37 -5.261 2.795 -6.472 311 1HD1 ILE 37 1HD1 ILE 37 -6.645 3.236 -5.964 312 2HD1 ILE 37 2HD1 ILE 37 -6.891 1.617 -6.621 313 3HD1 ILE 37 3HD1 ILE 37 -8.279 2.639 -6.248 314 H TYR 38 H TYR 38 -4.590 4.445 -10.991 315 HA TYR 38 HA TYR 38 -1.933 5.266 -10.265 316 1HB TYR 38 2HB TYR 38 -2.581 3.571 -11.980 317 2HB TYR 38 1HB TYR 38 -3.210 4.872 -12.992 318 HD1 TYR 38 HD1 TYR 38 -0.125 3.565 -11.365 319 HD2 TYR 38 HD2 TYR 38 -1.764 6.210 -14.326 320 HE1 TYR 38 HE1 TYR 38 2.151 3.972 -12.262 321 HE2 TYR 38 HE2 TYR 38 0.511 6.616 -15.223 322 HH TYR 38 HH TYR 38 2.660 5.791 -15.224 323 H GLN 39 H GLN 39 -4.506 6.845 -12.168 324 HA GLN 39 HA GLN 39 -2.987 9.123 -13.008 325 1HB GLN 39 2HB GLN 39 -5.894 8.445 -12.601 326 2HB GLN 39 1HB GLN 39 -5.427 10.075 -13.086 327 1HG GLN 39 2HG GLN 39 -4.976 7.482 -14.565 328 2HG GLN 39 1HG GLN 39 -5.791 8.939 -15.135 329 1HE2 GLN 39 1HE2 GLN 39 -2.788 7.295 -15.117 330 2HE2 GLN 39 2HE2 GLN 39 -1.822 8.573 -15.679 331 H ARG 40 H ARG 40 -5.068 8.583 -10.151 332 HA ARG 40 HA ARG 40 -4.688 11.254 -9.079 333 1HB ARG 40 2HB ARG 40 -5.547 8.646 -7.780 334 2HB ARG 40 1HB ARG 40 -5.833 10.263 -7.134 335 1HG ARG 40 2HG ARG 40 -6.788 10.334 -9.782 336 2HG ARG 40 1HG ARG 40 -7.357 8.804 -9.116 337 1HD ARG 40 2HD ARG 40 -8.345 9.966 -7.192 338 2HD ARG 40 1HD ARG 40 -7.719 11.516 -7.790 339 HE ARG 40 HE ARG 40 -9.347 10.005 -9.721 340 1HH1 ARG 40 1HH1 ARG 40 -9.094 12.476 -7.331 341 2HH1 ARG 40 2HH1 ARG 40 -10.557 13.272 -7.807 342 1HH2 ARG 40 1HH2 ARG 40 -11.286 11.002 -10.325 343 2HH2 ARG 40 2HH2 ARG 40 -11.797 12.437 -9.502 344 H VAL 41 H VAL 41 -3.072 8.129 -8.655 345 HA VAL 41 HA VAL 41 -1.497 8.849 -6.353 346 HB VAL 41 HB VAL 41 -1.449 6.778 -8.529 347 1HG1 VAL 41 1HG1 VAL 41 0.574 6.551 -6.363 348 2HG1 VAL 41 2HG1 VAL 41 0.930 7.708 -7.646 349 3HG1 VAL 41 3HG1 VAL 41 0.656 6.010 -8.039 350 1HG2 VAL 41 1HG2 VAL 41 -2.906 6.136 -6.831 351 2HG2 VAL 41 2HG2 VAL 41 -1.956 6.931 -5.576 352 3HG2 VAL 41 3HG2 VAL 41 -1.406 5.404 -6.263 353 H MET 42 H MET 42 -1.022 9.227 -9.844 354 HA MET 42 HA MET 42 1.761 10.090 -9.603 355 1HB MET 42 2HB MET 42 -0.346 9.815 -11.712 356 2HB MET 42 1HB MET 42 1.049 10.832 -12.066 357 1HG MET 42 2HG MET 42 1.189 7.954 -11.121 358 2HG MET 42 1HG MET 42 1.423 8.488 -12.786 359 1HE MET 42 1HE MET 42 3.627 7.297 -12.904 360 2HE MET 42 2HE MET 42 5.043 8.340 -12.798 361 3HE MET 42 3HE MET 42 3.646 8.855 -13.740 362 H GLU 43 H GLU 43 -1.354 11.605 -9.351 363 HA GLU 43 HA GLU 43 -0.502 14.302 -10.049 364 1HB GLU 43 2HB GLU 43 -2.802 13.754 -10.286 365 2HB GLU 43 1HB GLU 43 -2.875 13.023 -8.683 366 1HG GLU 43 2HG GLU 43 -1.992 15.731 -8.393 367 2HG GLU 43 1HG GLU 43 -3.441 15.723 -9.401 368 H SER 44 H SER 44 -1.143 12.602 -6.960 369 HA SER 44 HA SER 44 -0.398 14.829 -5.279 370 1HB SER 44 2HB SER 44 -0.679 13.225 -3.535 371 2HB SER 44 1HB SER 44 -1.806 12.728 -4.794 372 HG SER 44 HG SER 44 -0.337 11.178 -5.452 373 H PHE 45 H PHE 45 1.440 12.535 -7.093 374 HA PHE 45 HA PHE 45 3.835 12.622 -5.409 375 1HB PHE 45 2HB PHE 45 2.985 11.509 -8.065 376 2HB PHE 45 1HB PHE 45 4.708 11.597 -7.695 377 HD1 PHE 45 HD1 PHE 45 2.592 11.324 -4.803 378 HD2 PHE 45 HD2 PHE 45 4.578 9.032 -7.845 379 HE1 PHE 45 HE1 PHE 45 2.397 9.290 -3.398 380 HE2 PHE 45 HE2 PHE 45 4.383 6.998 -6.440 381 HZ PHE 45 HZ PHE 45 3.292 7.127 -4.216 382 H LYS 46 H LYS 46 2.553 14.409 -8.158 383 HA LYS 46 HA LYS 46 5.045 15.674 -8.932 384 1HB LYS 46 2HB LYS 46 2.302 15.537 -9.732 385 2HB LYS 46 1HB LYS 46 2.735 17.240 -9.579 386 1HG LYS 46 2HG LYS 46 4.233 17.154 -11.306 387 2HG LYS 46 1HG LYS 46 4.742 15.512 -10.917 388 1HD LYS 46 2HD LYS 46 2.084 15.206 -11.678 389 2HD LYS 46 1HD LYS 46 2.701 16.418 -12.801 390 1HE LYS 46 2HE LYS 46 4.439 14.040 -12.278 391 2HE LYS 46 1HE LYS 46 3.006 13.807 -13.299 392 1HZ LYS 46 1HZ LYS 46 4.605 16.214 -13.737 393 2HZ LYS 46 2HZ LYS 46 3.747 15.265 -14.855 394 3HZ LYS 46 3HZ LYS 46 5.259 14.746 -14.281 395 H LYS 47 H LYS 47 2.489 16.424 -6.611 396 HA LYS 47 HA LYS 47 3.233 19.169 -6.125 397 1HB LYS 47 2HB LYS 47 1.912 17.171 -4.265 398 2HB LYS 47 1HB LYS 47 1.725 18.924 -4.244 399 1HG LYS 47 2HG LYS 47 0.807 18.743 -6.607 400 2HG LYS 47 1HG LYS 47 0.764 16.995 -6.369 401 1HD LYS 47 2HD LYS 47 -0.424 18.135 -4.069 402 2HD LYS 47 1HD LYS 47 -1.113 18.984 -5.453 403 1HE LYS 47 2HE LYS 47 -2.295 17.153 -6.105 404 2HE LYS 47 1HE LYS 47 -0.899 16.080 -5.880 405 1HZ LYS 47 1HZ LYS 47 -2.473 15.505 -4.219 406 2HZ LYS 47 2HZ LYS 47 -2.730 17.129 -3.792 407 3HZ LYS 47 3HZ LYS 47 -1.248 16.377 -3.435 408 H GLU 48 H GLU 48 4.434 16.085 -4.946 409 HA GLU 48 HA GLU 48 5.930 17.276 -2.713 410 1HB GLU 48 2HB GLU 48 5.875 14.530 -4.006 411 2HB GLU 48 1HB GLU 48 6.736 14.910 -2.515 412 1HG GLU 48 2HG GLU 48 4.551 15.705 -1.544 413 2HG GLU 48 1HG GLU 48 3.749 15.089 -2.990 414 H GLY 49 H GLY 49 6.522 16.332 -6.054 415 1HA GLY 49 2HA GLY 49 8.340 17.234 -7.361 416 2HA GLY 49 1HA GLY 49 9.214 17.566 -5.865 417 H ARG 50 H ARG 50 7.704 14.476 -6.103 418 HA ARG 50 HA ARG 50 10.342 13.161 -6.071 419 1HB ARG 50 2HB ARG 50 7.535 12.009 -6.028 420 2HB ARG 50 1HB ARG 50 9.014 11.212 -5.487 421 1HG ARG 50 2HG ARG 50 9.263 13.202 -3.858 422 2HG ARG 50 1HG ARG 50 7.569 13.537 -4.219 423 1HD ARG 50 2HD ARG 50 6.904 11.328 -3.439 424 2HD ARG 50 1HD ARG 50 8.602 10.861 -3.211 425 HE ARG 50 HE ARG 50 8.020 13.313 -1.800 426 1HH1 ARG 50 1HH1 ARG 50 8.679 12.964 0.400 427 2HH1 ARG 50 2HH1 ARG 50 8.121 11.526 1.188 428 1HH2 ARG 50 1HH2 ARG 50 6.832 10.122 -1.709 429 2HH2 ARG 50 2HH2 ARG 50 7.075 9.918 -0.006 430 H ILE 51 H ILE 51 8.210 14.178 -8.471 431 HA ILE 51 HA ILE 51 9.290 12.128 -10.375 432 HB ILE 51 HB ILE 51 6.532 13.393 -10.334 433 1HG1 ILE 51 2HG1 ILE 51 7.678 10.994 -9.040 434 2HG1 ILE 51 1HG1 ILE 51 6.223 11.903 -8.634 435 1HG2 ILE 51 1HG2 ILE 51 7.880 11.329 -12.078 436 2HG2 ILE 51 2HG2 ILE 51 7.042 12.799 -12.574 437 3HG2 ILE 51 3HG2 ILE 51 6.124 11.427 -11.952 438 1HD1 ILE 51 1HD1 ILE 51 6.242 9.415 -9.815 439 2HD1 ILE 51 2HD1 ILE 51 6.045 10.484 -11.204 440 3HD1 ILE 51 3HD1 ILE 51 4.891 10.547 -9.872 441 H GLY 52 H GLY 52 8.348 15.458 -9.757 442 1HA GLY 52 2HA GLY 52 8.827 17.437 -10.919 443 2HA GLY 52 1HA GLY 52 10.164 16.552 -11.656 444 H ALA 53 H ALA 53 9.898 17.195 -13.796 445 HA ALA 53 HA ALA 53 8.196 17.835 -15.589 446 1HB ALA 53 1HB ALA 53 9.777 15.330 -15.443 447 2HB ALA 53 2HB ALA 53 9.825 16.617 -16.647 448 3HB ALA 53 3HB ALA 53 8.565 15.385 -16.724 449 1H MET 1 1H MET 1 3.475 -10.420 1.409 450 2H MET 1 2H MET 1 2.904 -11.726 2.334 451 3H MET 1 3H MET 1 4.403 -11.832 1.544 452 HA MET 1 HA MET 1 4.541 -9.570 3.158 453 1HB MET 1 1HB MET 1 3.863 -10.502 5.316 454 2HB MET 1 2HB MET 1 2.501 -10.589 4.198 455 1HG MET 1 1HG MET 1 2.393 -12.789 4.691 456 2HG MET 1 2HG MET 1 3.879 -12.972 3.758 457 1HE MET 1 1HE MET 1 3.390 -14.989 5.296 458 2HE MET 1 2HE MET 1 5.150 -15.050 5.350 459 3HE MET 1 3HE MET 1 4.224 -15.219 6.839 460 H LYS 2 H LYS 2 4.975 -12.844 4.413 461 HA LYS 2 HA LYS 2 7.661 -12.670 5.104 462 1HB LYS 2 1HB LYS 2 6.379 -14.561 5.757 463 2HB LYS 2 2HB LYS 2 5.931 -14.931 4.091 464 1HG LYS 2 1HG LYS 2 8.732 -15.123 5.241 465 2HG LYS 2 2HG LYS 2 7.666 -16.489 4.907 466 1HD LYS 2 1HD LYS 2 8.221 -16.481 2.723 467 2HD LYS 2 2HD LYS 2 7.884 -14.755 2.588 468 1HE LYS 2 1HE LYS 2 10.195 -14.550 3.905 469 2HE LYS 2 2HE LYS 2 10.479 -16.134 3.159 470 1HZ LYS 2 1HZ LYS 2 9.220 -14.364 1.335 471 2HZ LYS 2 2HZ LYS 2 10.658 -13.674 1.918 472 3HZ LYS 2 3HZ LYS 2 10.687 -15.197 1.168 473 H GLY 3 H GLY 3 6.482 -12.287 1.992 474 1HA GLY 3 1HA GLY 3 9.183 -12.493 0.858 475 2HA GLY 3 2HA GLY 3 8.011 -13.619 0.172 476 H MET 4 H MET 4 9.123 -11.734 -1.497 477 HA MET 4 HA MET 4 8.604 -9.476 -2.420 478 1HB MET 4 1HB MET 4 6.565 -11.518 -3.355 479 2HB MET 4 2HB MET 4 7.242 -10.190 -4.298 480 1HG MET 4 1HG MET 4 8.691 -11.794 -5.032 481 2HG MET 4 2HG MET 4 9.524 -11.446 -3.518 482 1HE MET 4 1HE MET 4 9.853 -12.754 -1.733 483 2HE MET 4 2HE MET 4 8.200 -12.758 -1.124 484 3HE MET 4 3HE MET 4 9.081 -14.277 -1.268 485 H SER 5 H SER 5 7.285 -9.657 0.211 486 HA SER 5 HA SER 5 4.470 -9.178 0.064 487 1HB SER 5 1HB SER 5 5.128 -7.901 2.281 488 2HB SER 5 2HB SER 5 5.329 -9.647 2.183 489 HG SER 5 HG SER 5 7.223 -7.604 2.175 490 H LYS 6 H LYS 6 5.084 -7.761 -2.088 491 HA LYS 6 HA LYS 6 4.525 -4.970 -1.306 492 1HB LYS 6 1HB LYS 6 6.795 -5.271 -3.196 493 2HB LYS 6 2HB LYS 6 6.566 -4.102 -1.895 494 1HG LYS 6 1HG LYS 6 7.794 -5.345 -0.475 495 2HG LYS 6 2HG LYS 6 6.823 -6.778 -0.817 496 1HD LYS 6 1HD LYS 6 8.148 -7.054 -2.954 497 2HD LYS 6 2HD LYS 6 9.211 -5.768 -2.383 498 1HE LYS 6 1HE LYS 6 9.388 -8.520 -1.745 499 2HE LYS 6 2HE LYS 6 10.298 -7.194 -0.991 500 1HZ LYS 6 1HZ LYS 6 8.078 -6.805 0.261 501 2HZ LYS 6 2HZ LYS 6 7.766 -8.425 -0.131 502 3HZ LYS 6 3HZ LYS 6 9.133 -8.025 0.796 503 H MET 7 H MET 7 6.019 -5.920 -4.345 504 HA MET 7 HA MET 7 4.338 -4.796 -6.165 505 1HB MET 7 1HB MET 7 6.306 -6.721 -6.173 506 2HB MET 7 2HB MET 7 4.919 -7.621 -6.787 507 1HG MET 7 1HG MET 7 4.578 -6.043 -8.568 508 2HG MET 7 2HG MET 7 5.746 -4.919 -7.873 509 1HE MET 7 1HE MET 7 5.775 -5.307 -10.510 510 2HE MET 7 2HE MET 7 7.199 -6.094 -11.205 511 3HE MET 7 3HE MET 7 5.691 -6.988 -11.033 512 HA PRO 8 HA PRO 8 0.585 -6.953 -4.659 513 1HB PRO 8 1HB PRO 8 -1.097 -4.853 -5.160 514 2HB PRO 8 2HB PRO 8 -0.156 -5.002 -3.662 515 1HG PRO 8 1HG PRO 8 0.372 -3.336 -6.069 516 2HG PRO 8 2HG PRO 8 0.622 -2.959 -4.357 517 1HD PRO 8 1HD PRO 8 2.631 -3.694 -6.055 518 2HD PRO 8 2HD PRO 8 2.671 -3.970 -4.299 519 H GLN 9 H GLN 9 -1.224 -7.734 -5.943 520 HA GLN 9 HA GLN 9 -0.670 -8.052 -8.756 521 1HB GLN 9 1HB GLN 9 -2.709 -8.832 -6.747 522 2HB GLN 9 2HB GLN 9 -3.259 -8.827 -8.423 523 1HG GLN 9 1HG GLN 9 -0.718 -10.020 -8.494 524 2HG GLN 9 2HG GLN 9 -1.512 -10.715 -7.080 525 1HE2 GLN 9 1HE2 GLN 9 -3.337 -12.898 -9.141 526 2HE2 GLN 9 2HE2 GLN 9 -2.454 -12.663 -7.711 527 H PHE 10 H PHE 10 -1.539 -5.294 -7.313 528 HA PHE 10 HA PHE 10 -3.631 -4.520 -9.301 529 1HB PHE 10 1HB PHE 10 -3.803 -4.226 -6.739 530 2HB PHE 10 2HB PHE 10 -2.619 -2.934 -6.935 531 HD1 PHE 10 HD1 PHE 10 -5.946 -4.116 -8.159 532 HD2 PHE 10 HD2 PHE 10 -3.286 -0.785 -7.640 533 HE1 PHE 10 HE1 PHE 10 -7.750 -2.566 -8.865 534 HE2 PHE 10 HE2 PHE 10 -5.089 0.766 -8.345 535 HZ PHE 10 HZ PHE 10 -7.321 -0.126 -8.958 536 H LEU 11 H LEU 11 -0.490 -3.444 -7.972 537 HA LEU 11 HA LEU 11 -0.194 -1.254 -9.861 538 1HB LEU 11 1HB LEU 11 1.828 -2.742 -8.153 539 2HB LEU 11 2HB LEU 11 2.046 -1.138 -8.854 540 HG LEU 11 HG LEU 11 -0.182 -1.841 -6.926 541 1HD1 LEU 11 1HD1 LEU 11 2.462 -1.743 -6.253 542 2HD1 LEU 11 2HD1 LEU 11 2.010 -0.047 -6.072 543 3HD1 LEU 11 3HD1 LEU 11 1.152 -1.290 -5.161 544 1HD2 LEU 11 1HD2 LEU 11 -0.284 0.145 -8.636 545 2HD2 LEU 11 2HD2 LEU 11 -0.707 0.446 -6.950 546 3HD2 LEU 11 3HD2 LEU 11 0.886 0.903 -7.555 547 H ASN 12 H ASN 12 0.265 -4.657 -10.058 548 HA ASN 12 HA ASN 12 2.441 -5.096 -11.715 549 1HB ASN 12 1HB ASN 12 0.290 -6.506 -10.854 550 2HB ASN 12 2HB ASN 12 -0.133 -6.323 -12.557 551 1HD2 ASN 12 1HD2 ASN 12 2.054 -9.370 -12.108 552 2HD2 ASN 12 2HD2 ASN 12 0.597 -8.872 -11.393 553 H ARG 13 H ARG 13 -0.485 -3.337 -12.486 554 HA ARG 13 HA ARG 13 0.071 -3.332 -15.389 555 1HB ARG 13 1HB ARG 13 -2.128 -2.858 -13.574 556 2HB ARG 13 2HB ARG 13 -1.955 -1.488 -14.672 557 1HG ARG 13 1HG ARG 13 -1.610 -3.601 -16.384 558 2HG ARG 13 2HG ARG 13 -2.783 -4.261 -15.243 559 1HD ARG 13 1HD ARG 13 -4.295 -2.388 -15.626 560 2HD ARG 13 2HD ARG 13 -3.091 -1.586 -16.655 561 HE ARG 13 HE ARG 13 -4.037 -4.322 -17.377 562 1HH1 ARG 13 1HH1 ARG 13 -6.022 -2.301 -18.214 563 2HH1 ARG 13 2HH1 ARG 13 -5.457 -1.830 -19.782 564 1HH2 ARG 13 1HH2 ARG 13 -2.281 -3.141 -19.324 565 2HH2 ARG 13 2HH2 ARG 13 -3.339 -2.305 -20.410 566 H TRP 14 H TRP 14 1.290 -1.693 -12.764 567 HA TRP 14 HA TRP 14 1.462 0.956 -14.102 568 1HB TRP 14 1HB TRP 14 2.176 -0.170 -11.386 569 2HB TRP 14 2HB TRP 14 2.614 1.470 -11.862 570 HD1 TRP 14 HD1 TRP 14 -0.605 0.294 -13.326 571 HE1 TRP 14 HE1 TRP 14 -2.588 1.420 -12.122 572 HE3 TRP 14 HE3 TRP 14 1.838 2.371 -9.351 573 HZ2 TRP 14 HZ2 TRP 14 -3.074 2.994 -9.784 574 HZ3 TRP 14 HZ3 TRP 14 0.593 3.678 -7.653 575 HH2 TRP 14 HH2 TRP 14 -1.858 3.991 -7.864 576 HA PRO 15 HA PRO 15 5.512 0.155 -15.618 577 1HB PRO 15 1HB PRO 15 6.476 2.715 -15.718 578 2HB PRO 15 2HB PRO 15 5.279 2.089 -16.868 579 1HG PRO 15 1HG PRO 15 4.886 3.822 -14.483 580 2HG PRO 15 2HG PRO 15 4.081 3.870 -16.058 581 1HD PRO 15 1HD PRO 15 2.957 2.793 -13.812 582 2HD PRO 15 2HD PRO 15 2.541 2.290 -15.464 583 H ARG 16 H ARG 16 7.512 -0.308 -14.690 584 HA ARG 16 HA ARG 16 8.008 -0.386 -11.975 585 1HB ARG 16 1HB ARG 16 9.343 -1.225 -14.036 586 2HB ARG 16 2HB ARG 16 10.160 0.336 -13.967 587 1HG ARG 16 1HG ARG 16 11.086 -0.100 -11.847 588 2HG ARG 16 2HG ARG 16 9.925 -1.384 -11.504 589 1HD ARG 16 1HD ARG 16 11.138 -2.340 -13.782 590 2HD ARG 16 2HD ARG 16 12.485 -1.529 -12.956 591 HE ARG 16 HE ARG 16 11.314 -3.964 -12.073 592 1HH1 ARG 16 1HH1 ARG 16 11.206 -0.892 -10.656 593 2HH1 ARG 16 2HH1 ARG 16 11.908 -1.383 -9.150 594 1HH2 ARG 16 1HH2 ARG 16 12.640 -4.594 -10.235 595 2HH2 ARG 16 2HH2 ARG 16 12.720 -3.479 -8.912 596 H GLU 17 H GLU 17 8.291 2.419 -14.089 597 HA GLU 17 HA GLU 17 9.872 4.148 -12.513 598 1HB GLU 17 1HB GLU 17 7.613 4.430 -14.474 599 2HB GLU 17 2HB GLU 17 8.212 5.871 -13.649 600 1HG GLU 17 1HG GLU 17 9.669 5.889 -15.424 601 2HG GLU 17 2HG GLU 17 10.569 4.795 -14.374 602 H VAL 18 H VAL 18 6.327 3.640 -12.401 603 HA VAL 18 HA VAL 18 5.930 5.458 -10.170 604 HB VAL 18 HB VAL 18 4.005 3.267 -10.743 605 1HG1 VAL 18 1HG1 VAL 18 3.989 5.889 -9.690 606 2HG1 VAL 18 2HG1 VAL 18 3.110 5.973 -11.217 607 3HG1 VAL 18 3HG1 VAL 18 2.596 4.841 -9.966 608 1HG2 VAL 18 1HG2 VAL 18 5.405 4.281 -12.898 609 2HG2 VAL 18 2HG2 VAL 18 3.781 3.598 -12.978 610 3HG2 VAL 18 3HG2 VAL 18 3.998 5.341 -12.827 611 H LEU 19 H LEU 19 5.137 1.978 -10.224 612 HA LEU 19 HA LEU 19 4.933 1.216 -7.686 613 1HB LEU 19 1HB LEU 19 6.560 0.128 -9.943 614 2HB LEU 19 2HB LEU 19 6.738 -0.648 -8.370 615 HG LEU 19 HG LEU 19 4.054 -0.477 -8.450 616 1HD1 LEU 19 1HD1 LEU 19 5.038 -0.306 -11.273 617 2HD1 LEU 19 2HD1 LEU 19 3.613 -1.292 -10.938 618 3HD1 LEU 19 3HD1 LEU 19 3.611 0.426 -10.539 619 1HD2 LEU 19 1HD2 LEU 19 5.512 -2.511 -8.155 620 2HD2 LEU 19 2HD2 LEU 19 4.056 -2.814 -9.104 621 3HD2 LEU 19 3HD2 LEU 19 5.613 -2.630 -9.912 622 H ASP 20 H ASP 20 8.252 1.588 -9.007 623 HA ASP 20 HA ASP 20 9.731 1.385 -6.660 624 1HB ASP 20 1HB ASP 20 9.966 2.990 -9.191 625 2HB ASP 20 2HB ASP 20 11.178 3.195 -7.925 626 H LEU 21 H LEU 21 8.091 4.304 -7.909 627 HA LEU 21 HA LEU 21 8.971 6.091 -5.844 628 1HB LEU 21 1HB LEU 21 7.393 6.102 -8.182 629 2HB LEU 21 2HB LEU 21 6.331 6.672 -6.894 630 HG LEU 21 HG LEU 21 9.071 7.792 -6.862 631 1HD1 LEU 21 1HD1 LEU 21 8.590 7.740 -9.292 632 2HD1 LEU 21 2HD1 LEU 21 7.065 8.576 -9.000 633 3HD1 LEU 21 3HD1 LEU 21 8.594 9.389 -8.671 634 1HD2 LEU 21 1HD2 LEU 21 6.254 8.885 -6.593 635 2HD2 LEU 21 2HD2 LEU 21 7.398 8.571 -5.288 636 3HD2 LEU 21 3HD2 LEU 21 7.708 9.872 -6.439 637 H VAL 22 H VAL 22 6.069 4.034 -6.152 638 HA VAL 22 HA VAL 22 4.814 4.930 -3.713 639 HB VAL 22 HB VAL 22 4.594 2.350 -5.300 640 1HG1 VAL 22 1HG1 VAL 22 2.869 3.612 -3.160 641 2HG1 VAL 22 2HG1 VAL 22 2.240 2.412 -4.290 642 3HG1 VAL 22 3HG1 VAL 22 3.549 1.985 -3.188 643 1HG2 VAL 22 1HG2 VAL 22 3.249 5.051 -5.503 644 2HG2 VAL 22 2HG2 VAL 22 4.096 4.160 -6.767 645 3HG2 VAL 22 3HG2 VAL 22 2.528 3.597 -6.190 646 H ARG 23 H ARG 23 6.514 1.852 -4.448 647 HA ARG 23 HA ARG 23 6.590 0.764 -1.866 648 1HB ARG 23 1HB ARG 23 8.346 0.686 -4.299 649 2HB ARG 23 2HB ARG 23 8.892 -0.129 -2.833 650 1HG ARG 23 1HG ARG 23 7.345 -1.779 -3.034 651 2HG ARG 23 2HG ARG 23 6.073 -0.651 -3.506 652 1HD ARG 23 1HD ARG 23 6.756 -2.302 -5.323 653 2HD ARG 23 2HD ARG 23 6.888 -0.597 -5.797 654 HE ARG 23 HE ARG 23 9.357 -0.998 -4.786 655 1HH1 ARG 23 1HH1 ARG 23 8.492 -1.326 -7.781 656 2HH1 ARG 23 2HH1 ARG 23 9.342 -2.784 -8.169 657 1HH2 ARG 23 1HH2 ARG 23 9.995 -3.597 -4.862 658 2HH2 ARG 23 2HH2 ARG 23 10.194 -4.069 -6.517 659 H LYS 24 H LYS 24 8.480 3.413 -3.199 660 HA LYS 24 HA LYS 24 10.409 3.438 -0.981 661 1HB LYS 24 1HB LYS 24 10.774 4.111 -3.426 662 2HB LYS 24 2HB LYS 24 9.848 5.567 -3.060 663 1HG LYS 24 1HG LYS 24 11.464 5.975 -1.140 664 2HG LYS 24 2HG LYS 24 12.457 4.681 -1.810 665 1HD LYS 24 1HD LYS 24 12.702 7.298 -2.528 666 2HD LYS 24 2HD LYS 24 13.152 5.951 -3.573 667 1HE LYS 24 1HE LYS 24 10.510 6.078 -4.147 668 2HE LYS 24 2HE LYS 24 10.816 7.783 -3.764 669 1HZ LYS 24 1HZ LYS 24 12.928 6.561 -5.277 670 2HZ LYS 24 2HZ LYS 24 11.449 6.574 -6.113 671 3HZ LYS 24 3HZ LYS 24 12.113 8.027 -5.549 672 H VAL 25 H VAL 25 7.761 5.576 -2.111 673 HA VAL 25 HA VAL 25 7.884 7.430 0.061 674 HB VAL 25 HB VAL 25 5.614 6.511 -1.734 675 1HG1 VAL 25 1HG1 VAL 25 5.368 8.019 0.557 676 2HG1 VAL 25 2HG1 VAL 25 5.595 9.258 -0.677 677 3HG1 VAL 25 3HG1 VAL 25 4.273 8.101 -0.823 678 1HG2 VAL 25 1HG2 VAL 25 7.999 8.082 -2.159 679 2HG2 VAL 25 2HG2 VAL 25 6.766 7.612 -3.328 680 3HG2 VAL 25 3HG2 VAL 25 6.573 9.092 -2.390 681 H ALA 26 H ALA 26 6.659 4.187 -0.123 682 HA ALA 26 HA ALA 26 4.788 4.405 2.108 683 1HB ALA 26 1HB ALA 26 5.751 2.456 0.157 684 2HB ALA 26 2HB ALA 26 5.522 1.735 1.750 685 3HB ALA 26 3HB ALA 26 4.179 2.553 0.951 686 H GLU 27 H GLU 27 8.211 3.762 1.733 687 HA GLU 27 HA GLU 27 8.568 2.556 4.372 688 1HB GLU 27 1HB GLU 27 9.998 2.906 1.955 689 2HB GLU 27 2HB GLU 27 10.941 3.724 3.202 690 1HG GLU 27 1HG GLU 27 10.886 1.700 4.597 691 2HG GLU 27 2HG GLU 27 9.911 0.878 3.379 692 H GLU 28 H GLU 28 9.088 5.782 2.937 693 HA GLU 28 HA GLU 28 10.220 6.967 5.319 694 1HB GLU 28 1HB GLU 28 9.019 8.962 3.759 695 2HB GLU 28 2HB GLU 28 10.680 8.387 3.616 696 1HG GLU 28 1HG GLU 28 9.999 6.695 1.996 697 2HG GLU 28 2HG GLU 28 8.306 7.146 2.197 698 H ASN 29 H ASN 29 6.936 6.481 4.139 699 HA ASN 29 HA ASN 29 5.726 8.314 6.085 700 1HB ASN 29 1HB ASN 29 4.874 6.421 3.928 701 2HB ASN 29 2HB ASN 29 3.673 6.894 5.129 702 1HD2 ASN 29 1HD2 ASN 29 3.871 9.387 2.234 703 2HD2 ASN 29 2HD2 ASN 29 3.806 7.690 2.235 704 H GLY 30 H GLY 30 6.691 4.973 6.000 705 1HA GLY 30 1HA GLY 30 6.768 3.461 7.825 706 2HA GLY 30 2HA GLY 30 5.886 4.640 8.797 707 H ARG 31 H ARG 31 5.169 2.877 5.760 708 HA ARG 31 HA ARG 31 2.949 1.432 7.010 709 1HB ARG 31 1HB ARG 31 1.226 2.612 5.639 710 2HB ARG 31 2HB ARG 31 2.018 3.692 6.786 711 1HG ARG 31 1HG ARG 31 3.391 4.654 5.087 712 2HG ARG 31 2HG ARG 31 2.969 3.388 3.932 713 1HD ARG 31 1HD ARG 31 1.633 5.267 3.294 714 2HD ARG 31 2HD ARG 31 0.524 4.226 4.211 715 HE ARG 31 HE ARG 31 1.307 5.674 6.240 716 1HH1 ARG 31 1HH1 ARG 31 -0.132 6.623 3.372 717 2HH1 ARG 31 2HH1 ARG 31 0.111 8.322 3.601 718 1HH2 ARG 31 1HH2 ARG 31 2.147 7.927 6.380 719 2HH2 ARG 31 2HH2 ARG 31 1.401 9.060 5.304 720 H SER 32 H SER 32 1.631 0.319 5.138 721 HA SER 32 HA SER 32 3.577 -0.939 3.337 722 1HB SER 32 1HB SER 32 1.790 -2.485 2.966 723 2HB SER 32 2HB SER 32 1.654 -2.012 4.657 724 HG SER 32 HG SER 32 -0.354 -1.733 3.878 725 H VAL 33 H VAL 33 2.368 -1.392 1.005 726 HA VAL 33 HA VAL 33 2.388 1.201 -0.335 727 HB VAL 33 HB VAL 33 1.866 -1.659 -1.199 728 1HG1 VAL 33 1HG1 VAL 33 1.920 0.926 -2.741 729 2HG1 VAL 33 2HG1 VAL 33 2.435 -0.576 -3.509 730 3HG1 VAL 33 3HG1 VAL 33 0.793 -0.423 -2.881 731 1HG2 VAL 33 1HG2 VAL 33 4.250 0.205 -1.400 732 2HG2 VAL 33 2HG2 VAL 33 4.146 -1.286 -0.464 733 3HG2 VAL 33 3HG2 VAL 33 4.148 -1.350 -2.226 734 H ASN 34 H ASN 34 -0.077 -1.356 0.151 735 HA ASN 34 HA ASN 34 -2.250 -0.156 -1.173 736 1HB ASN 34 1HB ASN 34 -1.776 -2.390 0.319 737 2HB ASN 34 2HB ASN 34 -2.794 -1.470 1.429 738 1HD2 ASN 34 1HD2 ASN 34 -5.187 -3.348 -0.641 739 2HD2 ASN 34 2HD2 ASN 34 -4.078 -3.662 0.606 740 H SER 35 H SER 35 -1.023 0.437 2.115 741 HA SER 35 HA SER 35 -3.162 2.172 2.958 742 1HB SER 35 1HB SER 35 -0.261 2.175 3.833 743 2HB SER 35 2HB SER 35 -1.665 2.640 4.791 744 HG SER 35 HG SER 35 -2.267 0.552 4.937 745 H GLU 36 H GLU 36 -0.162 2.707 1.167 746 HA GLU 36 HA GLU 36 -0.191 5.601 1.365 747 1HB GLU 36 1HB GLU 36 1.709 3.926 0.806 748 2HB GLU 36 2HB GLU 36 1.053 3.940 -0.832 749 1HG GLU 36 1HG GLU 36 2.927 5.623 -0.335 750 2HG GLU 36 2HG GLU 36 1.469 6.268 -1.091 751 H ILE 37 H ILE 37 -1.336 3.264 -1.079 752 HA ILE 37 HA ILE 37 -2.182 5.222 -3.011 753 HB ILE 37 HB ILE 37 -3.188 2.409 -2.474 754 1HG1 ILE 37 1HG1 ILE 37 -0.597 3.421 -3.318 755 2HG1 ILE 37 2HG1 ILE 37 -1.078 1.762 -2.956 756 1HG2 ILE 37 1HG2 ILE 37 -3.279 4.269 -4.851 757 2HG2 ILE 37 2HG2 ILE 37 -3.422 2.522 -5.043 758 3HG2 ILE 37 3HG2 ILE 37 -4.611 3.405 -4.086 759 1HD1 ILE 37 1HD1 ILE 37 -2.307 2.006 -5.318 760 2HD1 ILE 37 2HD1 ILE 37 -1.030 3.194 -5.576 761 3HD1 ILE 37 3HD1 ILE 37 -0.615 1.521 -5.203 762 H TYR 38 H TYR 38 -3.887 3.528 -0.372 763 HA TYR 38 HA TYR 38 -6.496 4.595 -0.927 764 1HB TYR 38 1HB TYR 38 -5.939 2.610 0.481 765 2HB TYR 38 2HB TYR 38 -5.240 3.692 1.686 766 HD1 TYR 38 HD1 TYR 38 -8.392 2.834 -0.103 767 HD2 TYR 38 HD2 TYR 38 -6.610 4.868 3.236 768 HE1 TYR 38 HE1 TYR 38 -10.642 3.208 0.870 769 HE2 TYR 38 HE2 TYR 38 -8.860 5.241 4.209 770 HH TYR 38 HH TYR 38 -11.058 4.482 4.099 771 H GLN 39 H GLN 39 -3.840 5.702 1.183 772 HA GLN 39 HA GLN 39 -5.234 7.890 2.399 773 1HB GLN 39 1HB GLN 39 -2.368 7.133 1.859 774 2HB GLN 39 2HB GLN 39 -2.746 8.684 2.610 775 1HG GLN 39 1HG GLN 39 -3.334 5.911 3.648 776 2HG GLN 39 2HG GLN 39 -2.442 7.211 4.440 777 1HE2 GLN 39 1HE2 GLN 39 -6.425 6.970 4.956 778 2HE2 GLN 39 2HE2 GLN 39 -5.529 5.753 4.183 779 H ARG 40 H ARG 40 -3.186 7.716 -0.526 780 HA ARG 40 HA ARG 40 -3.424 10.543 -1.143 781 1HB ARG 40 1HB ARG 40 -2.706 8.142 -2.861 782 2HB ARG 40 2HB ARG 40 -2.335 9.826 -3.235 783 1HG ARG 40 1HG ARG 40 -1.375 9.411 -0.621 784 2HG ARG 40 2HG ARG 40 -0.890 7.982 -1.534 785 1HD ARG 40 1HD ARG 40 0.157 9.390 -3.250 786 2HD ARG 40 2HD ARG 40 -0.385 10.852 -2.402 787 HE ARG 40 HE ARG 40 1.162 8.961 -0.759 788 1HH1 ARG 40 1HH1 ARG 40 1.040 11.800 -2.710 789 2HH1 ARG 40 2HH1 ARG 40 2.543 12.429 -2.125 790 1HH2 ARG 40 1HH2 ARG 40 3.151 9.742 -0.018 791 2HH2 ARG 40 2HH2 ARG 40 3.740 11.264 -0.601 792 H VAL 41 H VAL 41 -5.207 7.622 -2.057 793 HA VAL 41 HA VAL 41 -6.743 8.791 -4.196 794 HB VAL 41 HB VAL 41 -6.900 6.397 -2.387 795 1HG1 VAL 41 1HG1 VAL 41 -9.117 7.607 -3.959 796 2HG1 VAL 41 2HG1 VAL 41 -8.902 5.864 -4.116 797 3HG1 VAL 41 3HG1 VAL 41 -9.184 6.579 -2.528 798 1HG2 VAL 41 1HG2 VAL 41 -6.315 7.028 -5.248 799 2HG2 VAL 41 2HG2 VAL 41 -5.512 5.892 -4.163 800 3HG2 VAL 41 3HG2 VAL 41 -7.059 5.468 -4.899 801 H MET 42 H MET 42 -7.192 8.616 -0.686 802 HA MET 42 HA MET 42 -9.925 9.652 -0.755 803 1HB MET 42 1HB MET 42 -7.834 8.925 1.261 804 2HB MET 42 2HB MET 42 -9.176 9.942 1.789 805 1HG MET 42 1HG MET 42 -9.466 7.269 0.386 806 2HG MET 42 2HG MET 42 -9.671 7.533 2.118 807 1HE MET 42 1HE MET 42 -11.440 6.958 2.712 808 2HE MET 42 2HE MET 42 -12.735 8.141 2.874 809 3HE MET 42 3HE MET 42 -12.921 6.790 1.759 810 H GLU 43 H GLU 43 -6.735 11.021 -0.784 811 HA GLU 43 HA GLU 43 -7.439 13.609 0.353 812 1HB GLU 43 1HB GLU 43 -5.172 12.909 0.476 813 2HB GLU 43 2HB GLU 43 -5.141 12.447 -1.227 814 1HG GLU 43 1HG GLU 43 -5.876 15.208 -1.062 815 2HG GLU 43 2HG GLU 43 -4.429 14.959 -0.083 816 H SER 44 H SER 44 -6.894 12.408 -2.978 817 HA SER 44 HA SER 44 -7.519 14.915 -4.263 818 1HB SER 44 1HB SER 44 -7.327 13.608 -6.250 819 2HB SER 44 2HB SER 44 -6.226 12.853 -5.100 820 HG SER 44 HG SER 44 -7.825 11.321 -4.660 821 H PHE 45 H PHE 45 -9.475 12.456 -2.832 822 HA PHE 45 HA PHE 45 -11.864 12.943 -4.456 823 1HB PHE 45 1HB PHE 45 -11.073 11.367 -2.028 824 2HB PHE 45 2HB PHE 45 -12.789 11.605 -2.362 825 HD1 PHE 45 HD1 PHE 45 -10.693 11.700 -5.280 826 HD2 PHE 45 HD2 PHE 45 -12.797 9.048 -2.635 827 HE1 PHE 45 HE1 PHE 45 -10.609 9.915 -7.000 828 HE2 PHE 45 HE2 PHE 45 -12.713 7.264 -4.356 829 HZ PHE 45 HZ PHE 45 -11.619 7.697 -6.539 830 H LYS 46 H LYS 46 -10.486 14.186 -1.466 831 HA LYS 46 HA LYS 46 -12.906 15.436 -0.471 832 1HB LYS 46 1HB LYS 46 -10.174 15.026 0.270 833 2HB LYS 46 2HB LYS 46 -10.516 16.751 0.402 834 1HG LYS 46 1HG LYS 46 -12.014 16.461 2.107 835 2HG LYS 46 2HG LYS 46 -12.610 14.933 1.458 836 1HD LYS 46 1HD LYS 46 -9.972 14.367 2.132 837 2HD LYS 46 2HD LYS 46 -10.521 15.410 3.444 838 1HE LYS 46 1HE LYS 46 -12.385 13.246 2.557 839 2HE LYS 46 2HE LYS 46 -10.966 12.772 3.512 840 1HZ LYS 46 1HZ LYS 46 -11.582 14.755 4.972 841 2HZ LYS 46 2HZ LYS 46 -13.101 14.691 4.220 842 3HZ LYS 46 3HZ LYS 46 -12.539 13.359 5.111 843 H LYS 47 H LYS 47 -10.316 16.421 -2.661 844 HA LYS 47 HA LYS 47 -10.911 19.244 -2.684 845 1HB LYS 47 1HB LYS 47 -9.700 17.510 -4.860 846 2HB LYS 47 2HB LYS 47 -9.419 19.233 -4.594 847 1HG LYS 47 1HG LYS 47 -8.511 18.615 -2.302 848 2HG LYS 47 2HG LYS 47 -8.563 16.931 -2.824 849 1HD LYS 47 1HD LYS 47 -7.315 18.368 -4.917 850 2HD LYS 47 2HD LYS 47 -6.582 18.941 -3.419 851 1HE LYS 47 1HE LYS 47 -5.500 16.968 -3.086 852 2HE LYS 47 2HE LYS 47 -6.952 16.022 -3.472 853 1HZ LYS 47 1HZ LYS 47 -5.481 17.503 -5.565 854 2HZ LYS 47 2HZ LYS 47 -5.019 15.929 -5.123 855 3HZ LYS 47 3HZ LYS 47 -6.570 16.212 -5.747 856 H GLU 48 H GLU 48 -12.276 16.462 -4.341 857 HA GLU 48 HA GLU 48 -13.708 18.081 -6.334 858 1HB GLU 48 1HB GLU 48 -13.799 15.161 -5.507 859 2HB GLU 48 2HB GLU 48 -14.640 15.825 -6.909 860 1HG GLU 48 1HG GLU 48 -12.416 16.653 -7.758 861 2HG GLU 48 2HG GLU 48 -11.647 15.766 -6.440 862 H GLY 49 H GLY 49 -14.349 16.636 -3.188 863 1HA GLY 49 1HA GLY 49 -16.114 17.412 -1.735 864 2HA GLY 49 2HA GLY 49 -16.972 18.024 -3.150 865 H ARG 50 H ARG 50 -15.623 14.860 -3.417 866 HA ARG 50 HA ARG 50 -18.330 13.707 -3.629 867 1HB ARG 50 1HB ARG 50 -15.588 12.433 -3.901 868 2HB ARG 50 2HB ARG 50 -17.111 11.813 -4.542 869 1HG ARG 50 1HG ARG 50 -17.266 14.048 -5.826 870 2HG ARG 50 2HG ARG 50 -15.556 14.240 -5.436 871 1HD ARG 50 1HD ARG 50 -15.007 12.153 -6.570 872 2HD ARG 50 2HD ARG 50 -16.726 11.821 -6.858 873 HE ARG 50 HE ARG 50 -16.011 14.436 -7.851 874 1HH1 ARG 50 1HH1 ARG 50 -14.995 11.247 -8.477 875 2HH1 ARG 50 2HH1 ARG 50 -15.248 11.339 -10.188 876 1HH2 ARG 50 1HH2 ARG 50 -16.690 14.490 -10.073 877 2HH2 ARG 50 2HH2 ARG 50 -16.208 13.175 -11.091 878 H ILE 51 H ILE 51 -16.156 14.227 -1.118 879 HA ILE 51 HA ILE 51 -17.339 11.965 0.456 880 HB ILE 51 HB ILE 51 -14.490 13.010 0.544 881 1HG1 ILE 51 1HG1 ILE 51 -15.836 10.910 -1.063 882 2HG1 ILE 51 2HG1 ILE 51 -14.356 11.810 -1.400 883 1HG2 ILE 51 1HG2 ILE 51 -15.736 11.857 2.586 884 2HG2 ILE 51 2HG2 ILE 51 -15.395 10.388 1.672 885 3HG2 ILE 51 3HG2 ILE 51 -14.071 11.429 2.190 886 1HD1 ILE 51 1HD1 ILE 51 -14.075 10.053 0.916 887 2HD1 ILE 51 2HD1 ILE 51 -14.492 9.165 -0.549 888 3HD1 ILE 51 3HD1 ILE 51 -13.056 10.189 -0.517 889 H GLY 52 H GLY 52 -16.382 15.302 0.265 890 1HA GLY 52 1HA GLY 52 -16.581 17.079 1.790 891 2HA GLY 52 2HA GLY 52 -17.984 16.193 2.392 892 H ALA 53 H ALA 53 -17.685 16.386 4.602 893 HA ALA 53 HA ALA 53 -15.935 16.612 6.454 894 1HB ALA 53 1HB ALA 53 -18.048 15.155 6.553 895 2HB ALA 53 2HB ALA 53 -16.994 13.789 6.190 896 3HB ALA 53 3HB ALA 53 -16.753 14.721 7.667
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