NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
26963 | 2op7 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ASN 1 HA ASN 1 5.152 -4.253 -8.314 2 H1 ASN 1 HT1 ASN 1 3.525 -4.407 -6.683 3 HB3 ASN 1 2HB ASN 1 6.614 -2.987 -5.970 4 HD21 ASN 1 1HD2 ASN 1 4.653 -1.801 -8.670 5 HD22 ASN 1 2HD2 ASN 1 5.928 -1.042 -9.563 6 H GLU 2 H GLU 2 6.898 -4.730 -5.139 7 HA GLU 2 HA GLU 2 8.898 -6.242 -6.588 8 HB3 GLU 2 2HB GLU 2 8.843 -4.877 -3.879 9 HG3 GLU 2 2HG GLU 2 10.175 -7.320 -4.388 10 H GLU 3 H GLU 3 7.667 -6.515 -3.185 11 HA GLU 3 HA GLU 3 7.924 -9.320 -3.305 12 HB3 GLU 3 2HB GLU 3 6.334 -8.644 -1.057 13 HG3 GLU 3 2HG GLU 3 8.159 -10.169 -0.810 14 HA PRO 4 HA PRO 4 3.928 -10.275 -4.716 15 HB3 PRO 4 2HB PRO 4 4.600 -12.362 -5.419 16 HG3 PRO 4 2HG PRO 4 6.516 -13.150 -4.405 17 HD3 PRO 4 2HD PRO 4 7.492 -11.163 -3.780 18 H LEU 5 H LEU 5 3.587 -8.634 -2.719 19 HA LEU 5 HA LEU 5 2.482 -8.236 -0.806 20 HG LEU 5 HG LEU 5 1.093 -6.767 -2.004 21 HB3 LEU 5 2HB LEU 5 0.036 -8.933 -1.059 22 HD11 LEU 5 1HD1 LEU 5 0.985 -8.499 -4.466 23 HD12 LEU 5 2HD1 LEU 5 0.838 -6.728 -4.566 24 HD13 LEU 5 3HD1 LEU 5 2.304 -7.461 -3.873 25 HD21 LEU 5 3HD2 LEU 5 -1.411 -7.764 -3.376 26 HD22 LEU 5 1HD2 LEU 5 -1.352 -7.279 -1.664 27 HD23 LEU 5 2HD2 LEU 5 -0.984 -6.092 -2.939 28 HA PRO 6 HA PRO 6 3.047 -12.442 0.940 29 HB3 PRO 6 2HB PRO 6 5.283 -12.865 0.586 30 HG3 PRO 6 2HG PRO 6 6.485 -11.070 -0.226 31 HD3 PRO 6 2HD PRO 6 4.798 -9.866 -1.220 32 H GLU 7 H GLU 7 4.213 -12.689 3.479 33 HA GLU 7 HA GLU 7 2.171 -11.261 4.894 34 HB3 GLU 7 2HB GLU 7 2.876 -13.733 5.251 35 HG3 GLU 7 2HG GLU 7 5.026 -12.307 6.891 36 H GLY 8 H GLY 8 5.785 -11.487 4.832 37 HA2 GLY 8 1HA GLY 8 6.501 -9.869 6.887 38 HA3 GLY 8 2HA GLY 8 7.340 -9.937 5.351 39 H TRP 9 H TRP 9 6.033 -8.663 3.481 40 HA TRP 9 HA TRP 9 5.019 -6.169 4.646 41 HD1 TRP 9 HD1 TRP 9 7.126 -8.349 1.834 42 HE1 TRP 9 HE1 TRP 9 9.612 -9.235 1.787 43 HE3 TRP 9 HE3 TRP 9 9.080 -4.577 4.629 44 HZ2 TRP 9 HZ2 TRP 9 12.061 -8.280 2.898 45 HZ3 TRP 9 HZ3 TRP 9 11.527 -4.630 5.101 46 HH2 TRP 9 HH2 TRP 9 13.003 -6.398 4.285 47 HB3 TRP 9 2HB TRP 9 6.870 -5.124 4.043 48 H GLU 10 H GLU 10 3.676 -4.939 3.025 49 HA GLU 10 HA GLU 10 2.632 -6.750 0.993 50 HB3 GLU 10 2HB GLU 10 0.697 -4.809 2.130 51 HG3 GLU 10 2HG GLU 10 0.329 -7.797 2.089 52 H ILE 11 H ILE 11 2.533 -5.884 -1.053 53 HA ILE 11 HA ILE 11 2.810 -2.964 -1.232 54 HB ILE 11 HB ILE 11 4.124 -5.124 -2.878 55 HG13 ILE 11 2HG1 ILE 11 4.944 -3.855 -0.541 56 HG21 ILE 11 1HG2 ILE 11 3.818 -3.714 -4.604 57 HG22 ILE 11 2HG2 ILE 11 3.468 -2.323 -3.552 58 HG23 ILE 11 3HG2 ILE 11 5.154 -2.810 -3.849 59 HD11 ILE 11 3HD1 ILE 11 6.988 -4.815 -2.529 60 HD12 ILE 11 1HD1 ILE 11 6.826 -5.192 -0.796 61 HD13 ILE 11 2HD1 ILE 11 5.751 -5.972 -1.982 62 H ARG 12 H ARG 12 1.098 -1.993 -2.166 63 HA ARG 12 HA ARG 12 -0.536 -3.697 -3.870 64 HE ARG 12 HE ARG 12 -4.785 -3.345 -3.167 65 HB3 ARG 12 2HB ARG 12 -2.356 -1.906 -3.290 66 HG3 ARG 12 2HG ARG 12 -2.551 -2.938 -0.862 67 HD3 ARG 12 2HD ARG 12 -2.928 -5.302 -2.072 68 HH11 ARG 12 2HH2 ARG 12 -3.709 -4.865 -0.182 69 HH12 ARG 12 1HH2 ARG 12 -5.204 -4.591 0.647 70 HH21 ARG 12 2HH1 ARG 12 -6.759 -2.982 -2.073 71 HH22 ARG 12 1HH1 ARG 12 -6.951 -3.513 -0.436 72 H TYR 13 H TYR 13 -1.064 -2.945 -5.963 73 HA TYR 13 HA TYR 13 0.137 -0.357 -6.683 74 HD1 TYR 13 HD1 TYR 13 0.801 -4.204 -6.433 75 HD2 TYR 13 HD2 TYR 13 -1.587 -3.109 -9.811 76 HE1 TYR 13 HE1 TYR 13 -0.117 -6.571 -6.560 77 HE2 TYR 13 HE2 TYR 13 -2.497 -5.481 -9.926 78 HH TYR 13 HH TYR 13 -2.394 -7.568 -7.509 79 HB3 TYR 13 2HB TYR 13 1.281 -2.140 -7.848 80 H THR 14 H THR 14 -0.989 0.953 -8.264 81 HA THR 14 HA THR 14 -3.747 0.159 -8.811 82 HB THR 14 HB THR 14 -2.797 2.548 -7.180 83 HG1 THR 14 HG1 THR 14 -3.654 0.437 -6.315 84 HG21 THR 14 3HG2 THR 14 -4.688 2.768 -9.289 85 HG22 THR 14 1HG2 THR 14 -5.662 2.526 -7.819 86 HG23 THR 14 2HG2 THR 14 -4.509 3.880 -7.909 87 H ARG 15 H ARG 15 -1.861 3.228 -9.136 88 HA ARG 15 HA ARG 15 -2.648 3.258 -11.885 89 HE ARG 15 HE ARG 15 -2.213 8.751 -12.926 90 HB3 ARG 15 2HB ARG 15 -0.740 5.342 -10.979 91 HG3 ARG 15 2HG ARG 15 -3.360 6.362 -11.501 92 HD3 ARG 15 2HD ARG 15 -1.309 6.129 -13.696 93 HH11 ARG 15 2HH2 ARG 15 -3.359 5.787 -14.437 94 HH12 ARG 15 1HH2 ARG 15 -4.586 6.584 -15.364 95 HH21 ARG 15 2HH1 ARG 15 -3.832 9.803 -14.148 96 HH22 ARG 15 1HH1 ARG 15 -4.858 8.883 -15.200 97 H GLU 16 H GLU 16 -0.640 4.341 -13.341 98 HA GLU 16 HA GLU 16 0.920 2.432 -14.164 99 HB3 GLU 16 2HB GLU 16 1.582 5.375 -13.838 100 HG3 GLU 16 2HG GLU 16 3.728 4.057 -13.948 101 H GLY 17 H GLY 17 2.033 4.724 -11.560 102 HA2 GLY 17 1HA GLY 17 3.542 2.510 -10.360 103 HA3 GLY 17 2HA GLY 17 4.411 3.956 -10.834 104 H VAL 18 H VAL 18 1.037 3.786 -9.562 105 HA VAL 18 HA VAL 18 1.822 5.655 -7.484 106 HB VAL 18 HB VAL 18 -0.785 4.663 -8.615 107 HG11 VAL 18 1HG1 VAL 18 -1.124 4.761 -6.209 108 HG12 VAL 18 2HG1 VAL 18 -0.404 6.388 -6.143 109 HG13 VAL 18 3HG1 VAL 18 -1.949 6.131 -6.989 110 HG21 VAL 18 3HG2 VAL 18 -1.101 6.901 -9.336 111 HG22 VAL 18 1HG2 VAL 18 0.217 7.504 -8.303 112 HG23 VAL 18 2HG2 VAL 18 0.590 6.500 -9.724 113 H ARG 19 H ARG 19 1.766 2.316 -7.925 114 HA ARG 19 HA ARG 19 0.506 1.224 -5.863 115 HE ARG 19 HE ARG 19 6.288 1.193 -6.232 116 HB3 ARG 19 2HB ARG 19 2.141 0.187 -7.637 117 HG3 ARG 19 2HG ARG 19 4.361 -0.421 -6.690 118 HD3 ARG 19 2HD ARG 19 3.955 2.603 -6.542 119 HH11 ARG 19 2HH2 ARG 19 5.078 3.220 -8.841 120 HH12 ARG 19 1HH2 ARG 19 6.654 3.723 -9.354 121 HH21 ARG 19 2HH1 ARG 19 8.368 1.856 -6.907 122 HH22 ARG 19 1HH1 ARG 19 8.539 2.942 -8.246 123 H TYR 20 H TYR 20 1.484 0.327 -3.710 124 HA TYR 20 HA TYR 20 3.452 2.127 -2.540 125 HD1 TYR 20 HD1 TYR 20 -0.431 0.270 -1.301 126 HD2 TYR 20 HD2 TYR 20 0.333 3.938 -3.365 127 HE1 TYR 20 HE1 TYR 20 -2.712 0.127 -2.414 128 HE2 TYR 20 HE2 TYR 20 -1.950 3.783 -4.472 129 HH TYR 20 HH TYR 20 -3.556 2.089 -5.050 130 HB3 TYR 20 2HB TYR 20 1.717 3.252 -1.472 131 H PHE 21 H PHE 21 4.027 1.348 -0.241 132 HA PHE 21 HA PHE 21 3.719 -1.567 -0.117 133 HD1 PHE 21 HD1 PHE 21 4.720 -1.345 -2.293 134 HD2 PHE 21 HD2 PHE 21 7.863 0.837 -0.461 135 HE1 PHE 21 HE1 PHE 21 5.566 -0.665 -4.557 136 HE2 PHE 21 HE2 PHE 21 8.710 1.518 -2.724 137 HZ PHE 21 HZ PHE 21 7.552 0.760 -4.744 138 HB3 PHE 21 2HB PHE 21 6.077 -1.715 0.341 139 H VAL 22 H VAL 22 3.672 -2.495 2.012 140 HA VAL 22 HA VAL 22 3.708 -0.643 4.243 141 HB VAL 22 HB VAL 22 1.438 -0.444 3.577 142 HG11 VAL 22 1HG1 VAL 22 -0.057 -2.406 3.297 143 HG12 VAL 22 2HG1 VAL 22 1.247 -2.352 2.087 144 HG13 VAL 22 3HG1 VAL 22 1.356 -3.477 3.461 145 HG21 VAL 22 3HG2 VAL 22 2.213 -1.430 6.065 146 HG22 VAL 22 1HG2 VAL 22 0.663 -0.653 5.667 147 HG23 VAL 22 2HG2 VAL 22 0.805 -2.426 5.625 148 H ASP 23 H ASP 23 5.194 -1.604 5.532 149 HA ASP 23 HA ASP 23 5.574 -4.408 5.380 150 HB3 ASP 23 2HB ASP 23 6.772 -2.116 6.945 151 H HIS 24 H HIS 24 5.473 -5.832 7.396 152 HA HIS 24 HA HIS 24 3.068 -5.964 8.537 153 HD1 HIS 24 HD1 HIS 24 2.118 -8.003 9.116 154 HD2 HIS 24 HD2 HIS 24 4.867 -8.025 12.284 155 HE1 HIS 24 HE1 HIS 24 1.016 -9.311 11.010 156 HE2 HIS 24 HE2 HIS 24 2.774 -9.338 12.908 157 HB3 HIS 24 2HB HIS 24 5.594 -6.645 10.055 158 H ASN 25 H ASN 25 5.664 -3.703 9.356 159 HA ASN 25 HA ASN 25 3.860 -2.582 11.348 160 HB3 ASN 25 2HB ASN 25 6.639 -1.869 11.877 161 HD21 ASN 25 1HD2 ASN 25 5.808 -4.712 13.450 162 HD22 ASN 25 2HD2 ASN 25 5.026 -4.069 14.857 163 H THR 26 H THR 26 4.204 -0.152 11.611 164 HA THR 26 HA THR 26 4.300 1.161 9.169 165 HB THR 26 HB THR 26 4.839 2.275 11.971 166 HG1 THR 26 HG1 THR 26 2.722 1.694 12.250 167 HG21 THR 26 3HG2 THR 26 3.673 4.271 11.107 168 HG22 THR 26 1HG2 THR 26 5.062 3.918 10.051 169 HG23 THR 26 2HG2 THR 26 3.416 3.473 9.537 170 H ARG 27 H ARG 27 6.831 -0.466 10.512 171 HA ARG 27 HA ARG 27 8.905 1.295 10.481 172 HE ARG 27 HE ARG 27 11.176 -2.708 12.370 173 HB3 ARG 27 2HB ARG 27 10.227 -0.876 9.691 174 HG3 ARG 27 2HG ARG 27 8.919 -0.140 12.224 175 HD3 ARG 27 2HD ARG 27 8.523 -2.833 11.482 176 HH11 ARG 27 2HH2 ARG 27 8.215 -4.254 13.479 177 HH12 ARG 27 1HH2 ARG 27 9.038 -5.583 14.226 178 HH21 ARG 27 2HH1 ARG 27 12.261 -4.460 13.357 179 HH22 ARG 27 1HH1 ARG 27 11.354 -5.701 14.156 180 H THR 28 H THR 28 7.310 -0.478 7.784 181 HA THR 28 HA THR 28 8.650 1.324 5.910 182 HB THR 28 HB THR 28 8.975 -1.646 6.156 183 HG1 THR 28 HG1 THR 28 10.731 -0.112 6.348 184 HG21 THR 28 3HG2 THR 28 9.533 -1.589 3.596 185 HG22 THR 28 1HG2 THR 28 7.825 -1.786 4.056 186 HG23 THR 28 2HG2 THR 28 8.427 -0.195 3.530 187 H THR 29 H THR 29 6.874 2.504 5.378 188 HA THR 29 HA THR 29 4.752 0.993 4.043 189 HB THR 29 HB THR 29 3.075 2.465 5.235 190 HG1 THR 29 HG1 THR 29 4.041 4.126 6.330 191 HG21 THR 29 3HG2 THR 29 3.169 1.382 7.419 192 HG22 THR 29 1HG2 THR 29 3.739 0.189 6.226 193 HG23 THR 29 2HG2 THR 29 4.912 1.063 7.241 194 H THR 30 H THR 30 4.937 1.606 1.977 195 HA THR 30 HA THR 30 5.687 4.380 1.439 196 HB THR 30 HB THR 30 5.829 1.722 0.036 197 HG1 THR 30 HG1 THR 30 7.593 2.998 1.119 198 HG21 THR 30 3HG2 THR 30 4.506 3.409 -1.486 199 HG22 THR 30 1HG2 THR 30 6.029 4.329 -1.527 200 HG23 THR 30 2HG2 THR 30 5.977 2.665 -2.156 201 H PHE 31 H PHE 31 4.245 5.909 0.970 202 HA PHE 31 HA PHE 31 1.611 4.971 0.070 203 HD1 PHE 31 HD1 PHE 31 4.156 6.905 2.737 204 HD2 PHE 31 HD2 PHE 31 1.158 9.163 0.755 205 HE1 PHE 31 HE1 PHE 31 5.480 9.003 3.123 206 HE2 PHE 31 HE2 PHE 31 2.482 11.260 1.142 207 HZ PHE 31 HZ PHE 31 4.628 11.155 2.321 208 HB3 PHE 31 2HB PHE 31 1.809 6.034 2.394 209 H LYS 32 H LYS 32 1.114 5.531 -1.992 210 HA LYS 32 HA LYS 32 2.569 7.811 -3.125 211 HB3 LYS 32 2HB LYS 32 1.265 6.254 -5.132 212 HG3 LYS 32 2HG LYS 32 3.926 5.658 -5.343 213 HD3 LYS 32 2HD LYS 32 2.123 7.501 -6.504 214 HE3 LYS 32 2HE LYS 32 4.711 8.989 -6.346 215 HZ1 LYS 32 3HZ LYS 32 2.246 9.434 -7.311 216 HZ2 LYS 32 1HZ LYS 32 2.232 10.314 -5.934 217 HZ3 LYS 32 2HZ LYS 32 3.379 10.585 -7.065 218 H ASP 33 H ASP 33 1.274 9.071 -4.822 219 HA ASP 33 HA ASP 33 -0.756 10.354 -3.674 220 HB3 ASP 33 2HB ASP 33 -1.524 10.491 -6.321 221 HA PRO 34 HA PRO 34 -4.160 7.590 -3.930 222 HB3 PRO 34 2HB PRO 34 -5.242 8.637 -2.189 223 HG3 PRO 34 2HG PRO 34 -4.555 10.803 -1.791 224 HD3 PRO 34 2HD PRO 34 -2.440 10.731 -2.688 225 H ARG 35 H ARG 35 -3.193 7.809 -6.356 226 HA ARG 35 HA ARG 35 -4.971 9.089 -8.086 227 HE ARG 35 HE ARG 35 -4.400 11.605 -9.670 228 HB3 ARG 35 2HB ARG 35 -3.471 6.784 -9.210 229 HG3 ARG 35 2HG ARG 35 -4.404 8.902 -10.402 230 HD3 ARG 35 2HD ARG 35 -1.797 10.236 -9.906 231 HH11 ARG 35 2HH2 ARG 35 -1.830 10.530 -11.820 232 HH12 ARG 35 1HH2 ARG 35 -2.246 11.641 -13.082 233 HH21 ARG 35 2HH1 ARG 35 -4.949 13.073 -11.334 234 HH22 ARG 35 1HH1 ARG 35 -4.031 13.098 -12.804 235 H ASN 36 H ASN 36 -4.972 6.003 -6.419 236 HA ASN 36 HA ASN 36 -6.413 4.473 -8.184 237 HB3 ASN 36 2HB ASN 36 -5.328 3.676 -6.039 238 HD21 ASN 36 1HD2 ASN 36 -4.859 5.277 -4.543 239 HD22 ASN 36 2HD2 ASN 36 -5.922 5.698 -3.242 240 H GLY 37 H GLY 37 -7.268 7.336 -6.434 241 HA2 GLY 37 1HA GLY 37 -10.079 6.754 -6.108 242 HA3 GLY 37 2HA GLY 37 -9.248 8.264 -5.789 243 H LYS 38 H LYS 38 -9.187 6.336 -8.844 244 HA LYS 38 HA LYS 38 -9.279 8.274 -10.634 245 HB3 LYS 38 2HB LYS 38 -9.169 6.106 -11.467 246 HG3 LYS 38 2HG LYS 38 -11.642 4.841 -11.068 247 HD3 LYS 38 2HD LYS 38 -8.939 4.589 -9.689 248 HE3 LYS 38 2HE LYS 38 -11.138 3.699 -8.408 249 HZ1 LYS 38 3HZ LYS 38 -11.440 2.354 -10.641 250 HZ2 LYS 38 1HZ LYS 38 -10.501 1.285 -9.839 251 HZ3 LYS 38 2HZ LYS 38 -11.920 1.771 -9.194 252 H SER 39 H SER 39 -10.496 10.022 -11.122 253 HA SER 39 HA SER 39 -12.887 10.414 -9.650 254 HG SER 39 HG SER 39 -12.641 12.281 -8.979 255 HB3 SER 39 2HB SER 39 -12.734 12.446 -11.579 Start of MODEL 2 1 HA ASN 1 HA ASN 1 5.855 -3.371 -5.934 2 H1 ASN 1 HT1 ASN 1 4.913 -2.701 -8.126 3 HB3 ASN 1 2HB ASN 1 3.584 -4.129 -6.701 4 HD21 ASN 1 1HD2 ASN 1 3.220 -7.025 -6.552 5 HD22 ASN 1 2HD2 ASN 1 3.457 -7.658 -8.147 6 H GLU 2 H GLU 2 7.343 -4.792 -4.877 7 HA GLU 2 HA GLU 2 8.943 -6.381 -6.707 8 HB3 GLU 2 2HB GLU 2 10.105 -4.640 -5.354 9 HG3 GLU 2 2HG GLU 2 9.424 -6.392 -2.951 10 H GLU 3 H GLU 3 7.390 -6.502 -3.429 11 HA GLU 3 HA GLU 3 7.732 -9.365 -3.446 12 HB3 GLU 3 2HB GLU 3 6.262 -8.591 -1.150 13 HG3 GLU 3 2HG GLU 3 7.989 -10.223 -0.942 14 HA PRO 4 HA PRO 4 3.642 -10.046 -4.747 15 HB3 PRO 4 2HB PRO 4 4.164 -12.154 -5.511 16 HG3 PRO 4 2HG PRO 4 6.065 -13.073 -4.582 17 HD3 PRO 4 2HD PRO 4 7.178 -11.160 -3.957 18 H LEU 5 H LEU 5 3.510 -8.440 -2.672 19 HA LEU 5 HA LEU 5 2.491 -8.020 -0.720 20 HG LEU 5 HG LEU 5 0.545 -10.253 -2.977 21 HB3 LEU 5 2HB LEU 5 0.669 -7.439 -1.898 22 HD11 LEU 5 1HD1 LEU 5 -1.614 -10.072 -3.693 23 HD12 LEU 5 2HD1 LEU 5 -1.731 -9.174 -2.162 24 HD13 LEU 5 3HD1 LEU 5 -1.587 -8.292 -3.701 25 HD21 LEU 5 3HD2 LEU 5 1.802 -8.025 -3.925 26 HD22 LEU 5 1HD2 LEU 5 1.243 -9.387 -4.925 27 HD23 LEU 5 2HD2 LEU 5 0.234 -7.931 -4.761 28 HA PRO 6 HA PRO 6 2.838 -12.301 0.897 29 HB3 PRO 6 2HB PRO 6 5.024 -12.864 0.443 30 HG3 PRO 6 2HG PRO 6 6.314 -11.134 -0.374 31 HD3 PRO 6 2HD PRO 6 4.676 -9.792 -1.269 32 H GLU 7 H GLU 7 4.080 -12.697 3.380 33 HA GLU 7 HA GLU 7 2.170 -11.246 4.920 34 HB3 GLU 7 2HB GLU 7 2.853 -13.708 5.237 35 HG3 GLU 7 2HG GLU 7 5.173 -12.364 6.702 36 H GLY 8 H GLY 8 5.775 -11.465 4.666 37 HA2 GLY 8 1HA GLY 8 6.615 -9.875 6.685 38 HA3 GLY 8 2HA GLY 8 7.347 -9.898 5.092 39 H TRP 9 H TRP 9 5.910 -8.592 3.349 40 HA TRP 9 HA TRP 9 4.885 -6.165 4.627 41 HD1 TRP 9 HD1 TRP 9 7.779 -6.480 0.781 42 HE1 TRP 9 HE1 TRP 9 9.989 -7.912 0.939 43 HE3 TRP 9 HE3 TRP 9 7.849 -6.774 5.856 44 HZ2 TRP 9 HZ2 TRP 9 11.486 -8.983 3.120 45 HZ3 TRP 9 HZ3 TRP 9 9.721 -8.031 6.921 46 HH2 TRP 9 HH2 TRP 9 11.497 -9.113 5.639 47 HB3 TRP 9 2HB TRP 9 6.724 -5.061 4.083 48 H GLU 10 H GLU 10 3.521 -4.891 3.045 49 HA GLU 10 HA GLU 10 2.453 -6.693 1.012 50 HB3 GLU 10 2HB GLU 10 0.637 -4.620 2.164 51 HG3 GLU 10 2HG GLU 10 0.037 -7.564 1.987 52 H ILE 11 H ILE 11 2.458 -5.896 -1.057 53 HA ILE 11 HA ILE 11 2.790 -2.989 -1.329 54 HB ILE 11 HB ILE 11 4.107 -5.216 -2.881 55 HG13 ILE 11 2HG1 ILE 11 4.895 -3.634 -0.600 56 HG21 ILE 11 1HG2 ILE 11 5.250 -3.049 -3.921 57 HG22 ILE 11 2HG2 ILE 11 3.779 -3.776 -4.612 58 HG23 ILE 11 3HG2 ILE 11 3.655 -2.349 -3.556 59 HD11 ILE 11 3HD1 ILE 11 5.333 -6.169 -1.635 60 HD12 ILE 11 1HD1 ILE 11 6.893 -5.364 -1.936 61 HD13 ILE 11 2HD1 ILE 11 6.239 -5.449 -0.282 62 H ARG 12 H ARG 12 1.277 -1.973 -2.552 63 HA ARG 12 HA ARG 12 -0.198 -3.630 -4.413 64 HE ARG 12 HE ARG 12 -2.884 -5.942 -0.865 65 HB3 ARG 12 2HB ARG 12 -2.067 -1.756 -3.312 66 HG3 ARG 12 2HG ARG 12 -2.437 -4.129 -4.221 67 HD3 ARG 12 2HD ARG 12 -1.054 -4.712 -1.630 68 HH11 ARG 12 2HH2 ARG 12 -2.749 -6.186 -4.372 69 HH12 ARG 12 1HH2 ARG 12 -4.046 -7.330 -4.471 70 HH21 ARG 12 2HH1 ARG 12 -4.595 -7.451 -0.994 71 HH22 ARG 12 1HH1 ARG 12 -5.103 -8.054 -2.536 72 H TYR 13 H TYR 13 -0.885 -2.491 -6.306 73 HA TYR 13 HA TYR 13 -0.193 0.365 -6.360 74 HD1 TYR 13 HD1 TYR 13 0.974 -3.433 -6.920 75 HD2 TYR 13 HD2 TYR 13 -0.444 -1.434 -10.428 76 HE1 TYR 13 HE1 TYR 13 0.499 -5.677 -8.017 77 HE2 TYR 13 HE2 TYR 13 -0.914 -3.685 -11.512 78 HH TYR 13 HH TYR 13 -1.434 -6.010 -10.676 79 HB3 TYR 13 2HB TYR 13 1.562 -0.986 -7.491 80 H THR 14 H THR 14 -1.282 1.557 -8.178 81 HA THR 14 HA THR 14 -3.691 0.234 -9.163 82 HB THR 14 HB THR 14 -4.554 1.211 -7.147 83 HG1 THR 14 HG1 THR 14 -6.000 2.255 -8.453 84 HG21 THR 14 3HG2 THR 14 -3.784 4.002 -7.521 85 HG22 THR 14 1HG2 THR 14 -3.568 2.976 -6.083 86 HG23 THR 14 2HG2 THR 14 -2.329 2.989 -7.361 87 H ARG 15 H ARG 15 -1.539 3.123 -9.136 88 HA ARG 15 HA ARG 15 -2.495 3.722 -11.790 89 HE ARG 15 HE ARG 15 -1.450 9.161 -11.859 90 HB3 ARG 15 2HB ARG 15 -0.297 5.369 -10.611 91 HG3 ARG 15 2HG ARG 15 -2.750 6.793 -11.110 92 HD3 ARG 15 2HD ARG 15 -0.542 6.673 -13.153 93 HH11 ARG 15 2HH2 ARG 15 -1.939 6.881 -14.494 94 HH12 ARG 15 1HH2 ARG 15 -2.796 8.015 -15.485 95 HH21 ARG 15 2HH1 ARG 15 -2.580 10.657 -13.166 96 HH22 ARG 15 1HH1 ARG 15 -3.162 10.177 -14.725 97 H GLU 16 H GLU 16 -0.393 4.736 -13.169 98 HA GLU 16 HA GLU 16 0.895 2.690 -14.232 99 HB3 GLU 16 2HB GLU 16 1.148 4.768 -15.315 100 HG3 GLU 16 2HG GLU 16 1.205 5.838 -12.721 101 H GLY 17 H GLY 17 2.431 4.803 -11.690 102 HA2 GLY 17 1HA GLY 17 3.870 2.415 -10.726 103 HA3 GLY 17 2HA GLY 17 4.736 3.893 -11.091 104 H VAL 18 H VAL 18 1.461 3.466 -9.600 105 HA VAL 18 HA VAL 18 2.301 5.223 -7.453 106 HB VAL 18 HB VAL 18 -0.204 4.369 -8.726 107 HG11 VAL 18 1HG1 VAL 18 -1.610 4.752 -6.747 108 HG12 VAL 18 2HG1 VAL 18 -0.551 3.338 -6.527 109 HG13 VAL 18 3HG1 VAL 18 -0.153 4.881 -5.732 110 HG21 VAL 18 3HG2 VAL 18 0.346 6.592 -9.108 111 HG22 VAL 18 1HG2 VAL 18 -0.811 6.726 -7.762 112 HG23 VAL 18 2HG2 VAL 18 0.937 6.843 -7.448 113 H ARG 19 H ARG 19 2.587 1.971 -8.129 114 HA ARG 19 HA ARG 19 1.610 0.493 -6.219 115 HE ARG 19 HE ARG 19 5.154 0.958 -9.046 116 HB3 ARG 19 2HB ARG 19 3.508 0.004 -7.976 117 HG3 ARG 19 2HG ARG 19 5.750 -0.275 -6.894 118 HD3 ARG 19 2HD ARG 19 6.253 2.241 -6.630 119 HH11 ARG 19 2HH2 ARG 19 6.769 3.780 -7.702 120 HH12 ARG 19 1HH2 ARG 19 7.410 4.297 -9.225 121 HH21 ARG 19 2HH1 ARG 19 5.999 1.640 -11.057 122 HH22 ARG 19 1HH1 ARG 19 6.969 3.073 -11.146 123 H TYR 20 H TYR 20 1.552 0.428 -3.982 124 HA TYR 20 HA TYR 20 3.546 2.073 -2.575 125 HD1 TYR 20 HD2 TYR 20 1.727 0.611 0.375 126 HD2 TYR 20 HD1 TYR 20 -0.971 1.196 -2.894 127 HE1 TYR 20 HE2 TYR 20 0.120 -1.076 1.390 128 HE2 TYR 20 HE1 TYR 20 -2.570 -0.493 -1.867 129 HH TYR 20 HH TYR 20 -2.457 -2.387 -0.357 130 HB3 TYR 20 2HB TYR 20 0.912 2.574 -2.710 131 H PHE 21 H PHE 21 3.966 1.341 -0.275 132 HA PHE 21 HA PHE 21 3.670 -1.565 -0.044 133 HD1 PHE 21 HD1 PHE 21 4.948 -1.640 -2.222 134 HD2 PHE 21 HD2 PHE 21 7.648 1.044 -0.349 135 HE1 PHE 21 HE1 PHE 21 5.869 -1.001 -4.467 136 HE2 PHE 21 HE2 PHE 21 8.569 1.685 -2.594 137 HZ PHE 21 HZ PHE 21 7.668 0.655 -4.626 138 HB3 PHE 21 2HB PHE 21 6.009 -1.737 0.442 139 H VAL 22 H VAL 22 3.345 -2.358 2.067 140 HA VAL 22 HA VAL 22 3.481 -0.441 4.245 141 HB VAL 22 HB VAL 22 0.958 -1.833 3.340 142 HG11 VAL 22 1HG1 VAL 22 1.823 -1.078 6.031 143 HG12 VAL 22 2HG1 VAL 22 0.298 -0.295 5.555 144 HG13 VAL 22 3HG1 VAL 22 0.440 -2.069 5.508 145 HG21 VAL 22 3HG2 VAL 22 1.437 1.103 3.926 146 HG22 VAL 22 1HG2 VAL 22 1.586 0.383 2.304 147 HG23 VAL 22 2HG2 VAL 22 0.019 0.358 3.149 148 H ASP 23 H ASP 23 4.990 -1.546 5.431 149 HA ASP 23 HA ASP 23 5.012 -4.361 5.460 150 HB3 ASP 23 2HB ASP 23 6.371 -2.904 7.677 151 H HIS 24 H HIS 24 4.626 -5.722 7.423 152 HA HIS 24 HA HIS 24 2.270 -5.401 8.635 153 HD1 HIS 24 HD1 HIS 24 0.898 -6.629 9.754 154 HD2 HIS 24 HD2 HIS 24 3.994 -8.250 12.075 155 HE1 HIS 24 HE1 HIS 24 -0.220 -7.753 11.753 156 HE2 HIS 24 HE2 HIS 24 1.727 -8.778 13.113 157 HB3 HIS 24 2HB HIS 24 4.708 -6.615 9.963 158 H ASN 25 H ASN 25 5.256 -3.664 9.349 159 HA ASN 25 HA ASN 25 3.793 -2.301 11.468 160 HB3 ASN 25 2HB ASN 25 6.731 -2.128 11.709 161 HD21 ASN 25 1HD2 ASN 25 6.083 -0.659 13.266 162 HD22 ASN 25 2HD2 ASN 25 5.390 -1.127 14.783 163 H THR 26 H THR 26 4.595 0.036 11.750 164 HA THR 26 HA THR 26 4.682 1.385 9.328 165 HB THR 26 HB THR 26 4.139 2.088 11.844 166 HG1 THR 26 HG1 THR 26 5.597 3.684 9.854 167 HG21 THR 26 3HG2 THR 26 6.997 3.116 11.462 168 HG22 THR 26 1HG2 THR 26 5.917 3.453 12.834 169 HG23 THR 26 2HG2 THR 26 6.567 1.813 12.595 170 H ARG 27 H ARG 27 6.998 -0.704 10.356 171 HA ARG 27 HA ARG 27 9.345 0.641 10.185 172 HE ARG 27 HE ARG 27 8.698 -1.888 13.515 173 HB3 ARG 27 2HB ARG 27 10.113 -1.688 9.080 174 HG3 ARG 27 2HG ARG 27 9.379 -0.868 11.817 175 HD3 ARG 27 2HD ARG 27 9.902 -3.790 11.723 176 HH11 ARG 27 2HH2 ARG 27 8.438 -5.253 12.520 177 HH12 ARG 27 1HH2 ARG 27 7.782 -5.783 14.033 178 HH21 ARG 27 2HH1 ARG 27 7.833 -2.586 15.512 179 HH22 ARG 27 1HH1 ARG 27 7.435 -4.256 15.745 180 H THR 28 H THR 28 7.266 -0.702 7.553 181 HA THR 28 HA THR 28 8.641 1.057 5.671 182 HB THR 28 HB THR 28 8.760 -1.920 5.758 183 HG1 THR 28 HG1 THR 28 10.049 0.321 4.364 184 HG21 THR 28 3HG2 THR 28 9.016 -1.698 3.103 185 HG22 THR 28 1HG2 THR 28 7.424 -2.049 3.817 186 HG23 THR 28 2HG2 THR 28 7.828 -0.390 3.314 187 H THR 29 H THR 29 6.955 2.428 5.345 188 HA THR 29 HA THR 29 4.566 1.180 4.184 189 HB THR 29 HB THR 29 4.095 1.720 6.573 190 HG1 THR 29 HG1 THR 29 3.096 3.692 4.640 191 HG21 THR 29 3HG2 THR 29 5.726 4.003 6.080 192 HG22 THR 29 1HG2 THR 29 4.067 4.628 6.235 193 HG23 THR 29 2HG2 THR 29 4.785 3.668 7.552 194 H THR 30 H THR 30 4.801 1.715 2.083 195 HA THR 30 HA THR 30 5.694 4.430 1.469 196 HB THR 30 HB THR 30 5.701 1.739 0.154 197 HG1 THR 30 HG1 THR 30 7.668 3.032 -0.696 198 HG21 THR 30 3HG2 THR 30 5.691 2.550 -2.088 199 HG22 THR 30 1HG2 THR 30 4.290 3.374 -1.363 200 HG23 THR 30 2HG2 THR 30 5.828 4.246 -1.566 201 H PHE 31 H PHE 31 4.358 6.031 0.907 202 HA PHE 31 HA PHE 31 1.610 5.234 0.246 203 HD1 PHE 31 HD1 PHE 31 4.395 6.942 2.716 204 HD2 PHE 31 HD2 PHE 31 1.876 9.560 0.524 205 HE1 PHE 31 HE1 PHE 31 6.083 8.781 2.973 206 HE2 PHE 31 HE2 PHE 31 3.565 11.399 0.779 207 HZ PHE 31 HZ PHE 31 5.648 10.987 2.001 208 HB3 PHE 31 2HB PHE 31 1.927 6.497 2.397 209 H LYS 32 H LYS 32 1.005 5.610 -1.830 210 HA LYS 32 HA LYS 32 2.543 7.630 -3.301 211 HB3 LYS 32 2HB LYS 32 1.453 6.282 -5.288 212 HG3 LYS 32 2HG LYS 32 3.418 4.533 -4.900 213 HD3 LYS 32 2HD LYS 32 3.385 7.388 -5.648 214 HE3 LYS 32 2HE LYS 32 6.144 6.253 -5.181 215 HZ1 LYS 32 3HZ LYS 32 5.820 8.258 -6.447 216 HZ2 LYS 32 1HZ LYS 32 5.017 8.967 -5.214 217 HZ3 LYS 32 2HZ LYS 32 6.601 8.604 -5.056 218 H ASP 33 H ASP 33 1.231 8.791 -5.048 219 HA ASP 33 HA ASP 33 -0.659 10.310 -3.929 220 HB3 ASP 33 2HB ASP 33 -1.540 10.328 -6.518 221 HA PRO 34 HA PRO 34 -4.247 7.782 -3.820 222 HB3 PRO 34 2HB PRO 34 -5.221 9.096 -2.200 223 HG3 PRO 34 2HG PRO 34 -4.393 11.245 -2.074 224 HD3 PRO 34 2HD PRO 34 -2.308 10.933 -2.992 225 H ARG 35 H ARG 35 -3.284 7.749 -6.298 226 HA ARG 35 HA ARG 35 -5.114 8.871 -8.095 227 HE ARG 35 HE ARG 35 -0.440 10.177 -10.618 228 HB3 ARG 35 2HB ARG 35 -3.876 6.809 -9.497 229 HG3 ARG 35 2HG ARG 35 -3.609 9.660 -9.201 230 HD3 ARG 35 2HD ARG 35 -0.950 8.183 -9.521 231 HH11 ARG 35 2HH2 ARG 35 -2.683 10.879 -8.000 232 HH12 ARG 35 1HH2 ARG 35 -2.622 12.594 -8.236 233 HH21 ARG 35 2HH1 ARG 35 -0.358 12.439 -10.931 234 HH22 ARG 35 1HH1 ARG 35 -1.291 13.487 -9.915 235 H ASN 36 H ASN 36 -4.999 5.919 -6.189 236 HA ASN 36 HA ASN 36 -6.486 4.247 -7.780 237 HB3 ASN 36 2HB ASN 36 -5.532 3.220 -5.873 238 HD21 ASN 36 1HD2 ASN 36 -7.520 3.882 -3.424 239 HD22 ASN 36 2HD2 ASN 36 -6.609 5.041 -2.514 240 H GLY 37 H GLY 37 -7.314 7.210 -6.193 241 HA2 GLY 37 1HA GLY 37 -10.096 6.615 -5.699 242 HA3 GLY 37 2HA GLY 37 -9.279 8.156 -5.532 243 H LYS 38 H LYS 38 -9.337 5.999 -8.432 244 HA LYS 38 HA LYS 38 -9.539 7.791 -10.359 245 HB3 LYS 38 2HB LYS 38 -11.210 6.011 -11.429 246 HG3 LYS 38 2HG LYS 38 -8.277 5.716 -10.684 247 HD3 LYS 38 2HD LYS 38 -8.887 3.994 -12.864 248 HE3 LYS 38 2HE LYS 38 -7.880 3.735 -10.045 249 HZ1 LYS 38 3HZ LYS 38 -9.448 1.776 -11.131 250 HZ2 LYS 38 1HZ LYS 38 -7.917 1.254 -11.353 251 HZ3 LYS 38 2HZ LYS 38 -8.442 1.629 -9.853 252 H SER 39 H SER 39 -10.787 9.498 -10.900 253 HA SER 39 HA SER 39 -13.237 9.814 -9.430 254 HG SER 39 HG SER 39 -13.928 12.172 -9.445 255 HB3 SER 39 2HB SER 39 -12.594 11.911 -11.393 Start of MODEL 3 1 HA ASN 1 HA ASN 1 4.887 -4.332 -8.403 2 H1 ASN 1 HT1 ASN 1 3.250 -4.539 -6.844 3 HB3 ASN 1 2HB ASN 1 6.284 -3.161 -5.950 4 HD21 ASN 1 1HD2 ASN 1 8.136 -2.454 -6.674 5 HD22 ASN 1 2HD2 ASN 1 8.439 -1.649 -8.177 6 H GLU 2 H GLU 2 6.645 -4.935 -5.256 7 HA GLU 2 HA GLU 2 8.554 -6.519 -6.758 8 HB3 GLU 2 2HB GLU 2 8.633 -5.146 -4.053 9 HG3 GLU 2 2HG GLU 2 9.848 -7.642 -4.593 10 H GLU 3 H GLU 3 7.417 -6.726 -3.318 11 HA GLU 3 HA GLU 3 7.542 -9.540 -3.434 12 HB3 GLU 3 2HB GLU 3 6.034 -8.719 -1.150 13 HG3 GLU 3 2HG GLU 3 7.728 -10.463 -1.052 14 HA PRO 4 HA PRO 4 3.464 -10.336 -4.697 15 HB3 PRO 4 2HB PRO 4 4.008 -12.476 -5.350 16 HG3 PRO 4 2HG PRO 4 5.905 -13.332 -4.357 17 HD3 PRO 4 2HD PRO 4 6.999 -11.384 -3.817 18 H LEU 5 H LEU 5 3.292 -8.629 -2.714 19 HA LEU 5 HA LEU 5 2.258 -8.125 -0.786 20 HG LEU 5 HG LEU 5 1.058 -6.616 -2.007 21 HB3 LEU 5 2HB LEU 5 -0.243 -8.703 -0.985 22 HD11 LEU 5 1HD1 LEU 5 0.050 -6.780 -4.553 23 HD12 LEU 5 2HD1 LEU 5 1.754 -7.010 -4.095 24 HD13 LEU 5 3HD1 LEU 5 0.688 -8.422 -4.291 25 HD21 LEU 5 3HD2 LEU 5 -1.771 -7.518 -2.202 26 HD22 LEU 5 1HD2 LEU 5 -1.064 -6.106 -1.382 27 HD23 LEU 5 2HD2 LEU 5 -1.299 -6.085 -3.147 28 HA PRO 6 HA PRO 6 2.581 -12.328 1.026 29 HB3 PRO 6 2HB PRO 6 4.781 -12.892 0.647 30 HG3 PRO 6 2HG PRO 6 6.078 -11.191 -0.214 31 HD3 PRO 6 2HD PRO 6 4.453 -9.900 -1.204 32 H GLU 7 H GLU 7 3.750 -12.618 3.549 33 HA GLU 7 HA GLU 7 1.824 -11.055 4.971 34 HB3 GLU 7 2HB GLU 7 2.183 -13.465 5.481 35 HG3 GLU 7 2HG GLU 7 4.854 -12.562 6.652 36 H GLY 8 H GLY 8 5.424 -11.516 4.968 37 HA2 GLY 8 1HA GLY 8 6.164 -9.791 6.951 38 HA3 GLY 8 2HA GLY 8 7.082 -10.082 5.487 39 H TRP 9 H TRP 9 6.227 -8.840 3.444 40 HA TRP 9 HA TRP 9 5.490 -6.132 4.327 41 HD1 TRP 9 HD1 TRP 9 7.394 -6.535 5.679 42 HE1 TRP 9 HE1 TRP 9 9.577 -5.425 6.661 43 HE3 TRP 9 HE3 TRP 9 9.120 -4.759 1.238 44 HZ2 TRP 9 HZ2 TRP 9 11.732 -3.962 5.496 45 HZ3 TRP 9 HZ3 TRP 9 11.272 -3.500 1.248 46 HH2 TRP 9 HH2 TRP 9 12.566 -3.091 3.282 47 HB3 TRP 9 2HB TRP 9 6.678 -5.469 2.157 48 H GLU 10 H GLU 10 4.217 -4.899 2.628 49 HA GLU 10 HA GLU 10 2.782 -6.682 0.849 50 HB3 GLU 10 2HB GLU 10 1.202 -4.640 2.414 51 HG3 GLU 10 2HG GLU 10 0.122 -7.345 1.907 52 H ILE 11 H ILE 11 2.793 -5.822 -1.182 53 HA ILE 11 HA ILE 11 2.965 -2.895 -1.367 54 HB ILE 11 HB ILE 11 4.332 -5.002 -3.041 55 HG13 ILE 11 2HG1 ILE 11 5.149 -3.927 -0.666 56 HG21 ILE 11 1HG2 ILE 11 4.132 -3.577 -4.744 57 HG22 ILE 11 2HG2 ILE 11 3.545 -2.264 -3.696 58 HG23 ILE 11 3HG2 ILE 11 5.293 -2.552 -3.868 59 HD11 ILE 11 3HD1 ILE 11 7.302 -4.826 -1.210 60 HD12 ILE 11 1HD1 ILE 11 6.137 -5.810 -2.128 61 HD13 ILE 11 2HD1 ILE 11 7.067 -4.533 -2.950 62 H ARG 12 H ARG 12 1.238 -1.973 -2.325 63 HA ARG 12 HA ARG 12 -0.309 -3.720 -4.069 64 HE ARG 12 HE ARG 12 -5.253 -3.608 -4.828 65 HB3 ARG 12 2HB ARG 12 -1.223 -1.491 -2.189 66 HG3 ARG 12 2HG ARG 12 -2.404 -1.578 -4.510 67 HD3 ARG 12 2HD ARG 12 -2.844 -4.328 -3.484 68 HH11 ARG 12 2HH2 ARG 12 -3.716 -3.170 -1.693 69 HH12 ARG 12 1HH2 ARG 12 -5.213 -3.034 -0.834 70 HH21 ARG 12 2HH1 ARG 12 -7.230 -3.428 -3.695 71 HH22 ARG 12 1HH1 ARG 12 -7.226 -3.181 -1.980 72 H TYR 13 H TYR 13 -0.996 -2.853 -6.093 73 HA TYR 13 HA TYR 13 0.040 -0.160 -6.679 74 HD1 TYR 13 HD1 TYR 13 1.108 -3.659 -6.296 75 HD2 TYR 13 HD2 TYR 13 -1.049 -3.273 -9.971 76 HE1 TYR 13 HE1 TYR 13 0.691 -6.167 -6.325 77 HE2 TYR 13 HE2 TYR 13 -1.458 -5.782 -9.987 78 HH TYR 13 HH TYR 13 -0.815 -7.713 -9.100 79 HB3 TYR 13 2HB TYR 13 1.368 -1.631 -7.996 80 H THR 14 H THR 14 -1.164 1.088 -8.275 81 HA THR 14 HA THR 14 -3.835 0.075 -8.888 82 HB THR 14 HB THR 14 -4.353 1.219 -6.867 83 HG1 THR 14 HG1 THR 14 -5.306 2.081 -8.997 84 HG21 THR 14 3HG2 THR 14 -1.867 2.543 -7.268 85 HG22 THR 14 1HG2 THR 14 -3.102 3.822 -7.369 86 HG23 THR 14 2HG2 THR 14 -2.998 2.798 -5.917 87 H ARG 15 H ARG 15 -1.863 3.119 -9.106 88 HA ARG 15 HA ARG 15 -2.756 3.291 -11.842 89 HE ARG 15 HE ARG 15 -4.413 5.668 -13.723 90 HB3 ARG 15 2HB ARG 15 -0.938 5.373 -10.653 91 HG3 ARG 15 2HG ARG 15 -2.525 5.238 -12.909 92 HD3 ARG 15 2HD ARG 15 -4.060 7.244 -11.338 93 HH11 ARG 15 2HH2 ARG 15 -6.245 7.089 -11.075 94 HH12 ARG 15 1HH2 ARG 15 -7.707 7.227 -11.992 95 HH21 ARG 15 2HH1 ARG 15 -6.342 5.851 -14.933 96 HH22 ARG 15 1HH1 ARG 15 -7.763 6.518 -14.201 97 H GLU 16 H GLU 16 -0.784 4.504 -13.244 98 HA GLU 16 HA GLU 16 0.869 2.654 -14.081 99 HB3 GLU 16 2HB GLU 16 0.821 4.756 -15.213 100 HG3 GLU 16 2HG GLU 16 0.684 5.937 -12.753 101 H GLY 17 H GLY 17 1.746 4.982 -11.427 102 HA2 GLY 17 1HA GLY 17 3.459 2.908 -10.266 103 HA3 GLY 17 2HA GLY 17 4.198 4.433 -10.712 104 H VAL 18 H VAL 18 0.832 4.005 -9.503 105 HA VAL 18 HA VAL 18 1.460 5.862 -7.362 106 HB VAL 18 HB VAL 18 -1.020 4.796 -8.663 107 HG11 VAL 18 1HG1 VAL 18 -0.946 6.255 -6.000 108 HG12 VAL 18 2HG1 VAL 18 -2.406 5.902 -6.955 109 HG13 VAL 18 3HG1 VAL 18 -1.452 4.568 -6.262 110 HG21 VAL 18 3HG2 VAL 18 -0.705 7.654 -7.943 111 HG22 VAL 18 1HG2 VAL 18 0.465 7.020 -9.125 112 HG23 VAL 18 2HG2 VAL 18 -1.281 6.903 -9.450 113 H ARG 19 H ARG 19 1.636 2.543 -7.881 114 HA ARG 19 HA ARG 19 0.395 1.364 -5.824 115 HE ARG 19 HE ARG 19 6.231 2.415 -6.678 116 HB3 ARG 19 2HB ARG 19 1.981 0.384 -7.656 117 HG3 ARG 19 2HG ARG 19 4.262 -0.156 -6.837 118 HD3 ARG 19 2HD ARG 19 3.921 2.846 -6.503 119 HH11 ARG 19 2HH2 ARG 19 4.489 0.657 -9.179 120 HH12 ARG 19 1HH2 ARG 19 5.924 0.200 -10.036 121 HH21 ARG 19 2HH1 ARG 19 8.123 1.815 -7.808 122 HH22 ARG 19 1HH1 ARG 19 8.004 0.864 -9.251 123 H TYR 20 H TYR 20 1.397 0.473 -3.702 124 HA TYR 20 HA TYR 20 3.393 2.256 -2.552 125 HD1 TYR 20 HD1 TYR 20 -0.310 0.261 -1.195 126 HD2 TYR 20 HD2 TYR 20 0.066 4.004 -3.234 127 HE1 TYR 20 HE1 TYR 20 -2.641 -0.026 -2.168 128 HE2 TYR 20 HE2 TYR 20 -2.266 3.703 -4.200 129 HH TYR 20 HH TYR 20 -4.070 2.509 -4.201 130 HB3 TYR 20 2HB TYR 20 1.639 3.391 -1.513 131 H PHE 21 H PHE 21 4.005 1.454 -0.268 132 HA PHE 21 HA PHE 21 3.702 -1.463 -0.175 133 HD1 PHE 21 HD1 PHE 21 4.673 -1.196 -2.361 134 HD2 PHE 21 HD2 PHE 21 7.840 0.952 -0.528 135 HE1 PHE 21 HE1 PHE 21 5.493 -0.477 -4.621 136 HE2 PHE 21 HE2 PHE 21 8.661 1.672 -2.788 137 HZ PHE 21 HZ PHE 21 7.477 0.949 -4.808 138 HB3 PHE 21 2HB PHE 21 6.065 -1.613 0.252 139 H VAL 22 H VAL 22 3.644 -2.417 1.934 140 HA VAL 22 HA VAL 22 3.710 -0.594 4.192 141 HB VAL 22 HB VAL 22 1.282 -2.212 3.400 142 HG11 VAL 22 1HG1 VAL 22 0.653 -2.292 5.537 143 HG12 VAL 22 2HG1 VAL 22 2.231 -1.615 6.004 144 HG13 VAL 22 3HG1 VAL 22 0.855 -0.530 5.696 145 HG21 VAL 22 3HG2 VAL 22 1.792 0.766 3.652 146 HG22 VAL 22 1HG2 VAL 22 1.308 -0.147 2.201 147 HG23 VAL 22 2HG2 VAL 22 0.165 0.052 3.552 148 H ASP 23 H ASP 23 5.267 -1.578 5.387 149 HA ASP 23 HA ASP 23 5.668 -4.359 5.207 150 HB3 ASP 23 2HB ASP 23 6.796 -2.083 6.840 151 H HIS 24 H HIS 24 5.556 -5.856 7.162 152 HA HIS 24 HA HIS 24 3.146 -6.081 8.263 153 HD1 HIS 24 HD1 HIS 24 5.371 -8.876 11.285 154 HD2 HIS 24 HD2 HIS 24 1.837 -7.429 9.551 155 HE1 HIS 24 HE1 HIS 24 3.452 -10.034 12.504 156 HE2 HIS 24 HE2 HIS 24 1.306 -9.064 11.432 157 HB3 HIS 24 2HB HIS 24 5.679 -6.742 9.780 158 H ASN 25 H ASN 25 5.669 -3.782 9.200 159 HA ASN 25 HA ASN 25 3.798 -2.766 11.189 160 HB3 ASN 25 2HB ASN 25 6.348 -1.891 12.010 161 HD21 ASN 25 1HD2 ASN 25 4.696 -1.488 13.579 162 HD22 ASN 25 2HD2 ASN 25 4.277 -2.685 14.759 163 H THR 26 H THR 26 4.079 -0.336 11.531 164 HA THR 26 HA THR 26 4.186 1.053 9.134 165 HB THR 26 HB THR 26 3.083 1.705 11.351 166 HG1 THR 26 HG1 THR 26 3.430 3.891 10.723 167 HG21 THR 26 3HG2 THR 26 5.882 2.779 11.962 168 HG22 THR 26 1HG2 THR 26 4.424 2.947 12.970 169 HG23 THR 26 2HG2 THR 26 5.189 1.353 12.771 170 H ARG 27 H ARG 27 6.731 -0.559 10.464 171 HA ARG 27 HA ARG 27 8.764 1.248 10.528 172 HE ARG 27 HE ARG 27 7.964 -1.474 13.733 173 HB3 ARG 27 2HB ARG 27 10.144 -0.869 9.679 174 HG3 ARG 27 2HG ARG 27 8.756 -0.277 12.225 175 HD3 ARG 27 2HD ARG 27 10.017 -2.948 12.352 176 HH11 ARG 27 2HH2 ARG 27 8.883 -4.764 12.889 177 HH12 ARG 27 1HH2 ARG 27 8.077 -5.474 14.249 178 HH21 ARG 27 2HH1 ARG 27 6.900 -2.409 15.526 179 HH22 ARG 27 1HH1 ARG 27 6.941 -4.126 15.758 180 H THR 28 H THR 28 7.246 -0.457 7.747 181 HA THR 28 HA THR 28 8.585 1.431 5.959 182 HB THR 28 HB THR 28 8.845 -1.580 6.016 183 HG1 THR 28 HG1 THR 28 10.440 0.676 5.030 184 HG21 THR 28 3HG2 THR 28 9.631 -1.398 3.588 185 HG22 THR 28 1HG2 THR 28 7.867 -1.287 3.790 186 HG23 THR 28 2HG2 THR 28 8.825 0.188 3.517 187 H THR 29 H THR 29 6.815 2.603 5.406 188 HA THR 29 HA THR 29 4.714 1.095 4.030 189 HB THR 29 HB THR 29 3.014 2.523 5.211 190 HG1 THR 29 HG1 THR 29 5.431 3.224 6.726 191 HG21 THR 29 3HG2 THR 29 3.708 0.305 6.270 192 HG22 THR 29 1HG2 THR 29 4.905 1.207 7.228 193 HG23 THR 29 2HG2 THR 29 3.167 1.526 7.447 194 H THR 30 H THR 30 4.874 1.719 1.970 195 HA THR 30 HA THR 30 5.664 4.484 1.438 196 HB THR 30 HB THR 30 5.800 1.827 0.051 197 HG1 THR 30 HG1 THR 30 7.528 3.243 1.104 198 HG21 THR 30 3HG2 THR 30 5.949 4.396 -1.572 199 HG22 THR 30 1HG2 THR 30 5.862 2.718 -2.159 200 HG23 THR 30 2HG2 THR 30 4.418 3.493 -1.463 201 H PHE 31 H PHE 31 4.260 6.037 0.922 202 HA PHE 31 HA PHE 31 1.592 5.136 0.085 203 HD1 PHE 31 HD2 PHE 31 -0.471 5.489 1.058 204 HD2 PHE 31 HD1 PHE 31 2.255 6.640 4.099 205 HE1 PHE 31 HE2 PHE 31 -1.877 4.305 2.767 206 HE2 PHE 31 HE1 PHE 31 0.850 5.456 5.808 207 HZ PHE 31 HZ PHE 31 -1.200 4.303 5.122 208 HB3 PHE 31 2HB PHE 31 1.260 7.691 1.044 209 H LYS 32 H LYS 32 0.877 5.815 -1.890 210 HA LYS 32 HA LYS 32 2.512 7.859 -3.214 211 HB3 LYS 32 2HB LYS 32 0.748 6.356 -4.964 212 HG3 LYS 32 2HG LYS 32 3.163 5.729 -5.835 213 HD3 LYS 32 2HD LYS 32 1.447 7.936 -6.246 214 HE3 LYS 32 2HE LYS 32 3.185 9.243 -4.872 215 HZ1 LYS 32 3HZ LYS 32 5.126 9.787 -6.380 216 HZ2 LYS 32 1HZ LYS 32 5.186 8.371 -5.567 217 HZ3 LYS 32 2HZ LYS 32 4.797 8.387 -7.152 218 H ASP 33 H ASP 33 1.236 9.251 -4.825 219 HA ASP 33 HA ASP 33 -0.479 10.822 -3.527 220 HB3 ASP 33 2HB ASP 33 -1.476 10.989 -6.109 221 HA PRO 34 HA PRO 34 -4.389 8.832 -3.571 222 HB3 PRO 34 2HB PRO 34 -5.432 10.557 -2.458 223 HG3 PRO 34 2HG PRO 34 -4.437 12.620 -2.732 224 HD3 PRO 34 2HD PRO 34 -2.293 11.974 -3.252 225 H ARG 35 H ARG 35 -2.994 9.678 -6.317 226 HA ARG 35 HA ARG 35 -4.948 9.759 -8.178 227 HE ARG 35 HE ARG 35 -1.493 12.567 -11.118 228 HB3 ARG 35 2HB ARG 35 -2.887 8.098 -9.265 229 HG3 ARG 35 2HG ARG 35 -3.868 10.858 -9.461 230 HD3 ARG 35 2HD ARG 35 -0.954 10.479 -10.237 231 HH11 ARG 35 2HH2 ARG 35 -3.228 12.158 -8.084 232 HH12 ARG 35 1HH2 ARG 35 -3.902 13.754 -8.107 233 HH21 ARG 35 2HH1 ARG 35 -2.382 14.671 -11.150 234 HH22 ARG 35 1HH1 ARG 35 -3.419 15.193 -9.862 235 H ASN 36 H ASN 36 -3.937 7.075 -6.142 236 HA ASN 36 HA ASN 36 -4.728 4.972 -7.751 237 HB3 ASN 36 2HB ASN 36 -3.390 4.735 -5.643 238 HD21 ASN 36 1HD2 ASN 36 -6.663 4.239 -4.469 239 HD22 ASN 36 2HD2 ASN 36 -6.578 5.266 -3.077 240 H GLY 37 H GLY 37 -6.517 7.500 -6.235 241 HA2 GLY 37 1HA GLY 37 -8.931 5.996 -5.708 242 HA3 GLY 37 2HA GLY 37 -8.687 7.725 -5.558 243 H LYS 38 H LYS 38 -8.003 5.645 -8.435 244 HA LYS 38 HA LYS 38 -8.794 7.238 -10.383 245 HB3 LYS 38 2HB LYS 38 -7.931 4.911 -10.610 246 HG3 LYS 38 2HG LYS 38 -10.187 3.373 -10.994 247 HD3 LYS 38 2HD LYS 38 -9.621 2.555 -8.530 248 HE3 LYS 38 2HE LYS 38 -7.192 1.903 -9.595 249 HZ1 LYS 38 3HZ LYS 38 -9.172 0.488 -9.183 250 HZ2 LYS 38 1HZ LYS 38 -9.706 0.855 -10.682 251 HZ3 LYS 38 2HZ LYS 38 -8.294 0.057 -10.490 252 H SER 39 H SER 39 -10.666 7.989 -11.411 253 HA SER 39 HA SER 39 -13.098 7.466 -9.887 254 HG SER 39 HG SER 39 -14.770 9.603 -10.380 255 HB3 SER 39 2HB SER 39 -12.785 9.982 -11.513 Start of MODEL 4 1 HA ASN 1 HA ASN 1 5.894 -3.926 -5.839 2 H1 ASN 1 HT1 ASN 1 4.603 -3.617 -7.980 3 HB3 ASN 1 2HB ASN 1 3.496 -4.709 -6.249 4 HD21 ASN 1 1HD2 ASN 1 3.951 -7.717 -5.236 5 HD22 ASN 1 2HD2 ASN 1 3.743 -8.639 -6.688 6 H GLU 2 H GLU 2 7.647 -5.078 -4.951 7 HA GLU 2 HA GLU 2 8.981 -6.893 -6.710 8 HB3 GLU 2 2HB GLU 2 10.186 -5.146 -5.362 9 HG3 GLU 2 2HG GLU 2 9.619 -7.005 -3.007 10 H GLU 3 H GLU 3 7.494 -6.979 -3.403 11 HA GLU 3 HA GLU 3 7.830 -9.838 -3.379 12 HB3 GLU 3 2HB GLU 3 6.314 -8.954 -1.120 13 HG3 GLU 3 2HG GLU 3 7.933 -10.716 -0.895 14 HA PRO 4 HA PRO 4 3.748 -10.612 -4.637 15 HB3 PRO 4 2HB PRO 4 4.252 -12.790 -5.185 16 HG3 PRO 4 2HG PRO 4 6.114 -13.644 -4.125 17 HD3 PRO 4 2HD PRO 4 7.244 -11.698 -3.655 18 H LEU 5 H LEU 5 3.607 -8.817 -2.718 19 HA LEU 5 HA LEU 5 2.561 -8.215 -0.823 20 HG LEU 5 HG LEU 5 1.193 -6.630 -2.055 21 HB3 LEU 5 2HB LEU 5 0.059 -8.638 -1.042 22 HD11 LEU 5 1HD1 LEU 5 1.289 -6.748 -4.635 23 HD12 LEU 5 2HD1 LEU 5 2.633 -7.436 -3.692 24 HD13 LEU 5 3HD1 LEU 5 1.401 -8.508 -4.397 25 HD21 LEU 5 3HD2 LEU 5 -1.387 -7.715 -2.523 26 HD22 LEU 5 1HD2 LEU 5 -0.883 -6.008 -2.520 27 HD23 LEU 5 2HD2 LEU 5 -0.850 -6.943 -4.033 28 HA PRO 6 HA PRO 6 2.689 -12.365 1.128 29 HB3 PRO 6 2HB PRO 6 4.872 -13.026 0.809 30 HG3 PRO 6 2HG PRO 6 6.249 -11.404 -0.082 31 HD3 PRO 6 2HD PRO 6 4.693 -10.085 -1.143 32 H GLU 7 H GLU 7 3.803 -12.618 3.681 33 HA GLU 7 HA GLU 7 1.911 -10.939 5.016 34 HB3 GLU 7 2HB GLU 7 2.291 -13.396 5.551 35 HG3 GLU 7 2HG GLU 7 4.788 -12.285 6.920 36 H GLY 8 H GLY 8 5.492 -11.447 4.941 37 HA2 GLY 8 1HA GLY 8 6.294 -9.737 6.928 38 HA3 GLY 8 2HA GLY 8 7.183 -10.054 5.452 39 H TRP 9 H TRP 9 6.081 -8.864 3.398 40 HA TRP 9 HA TRP 9 5.454 -6.126 4.274 41 HD1 TRP 9 HD1 TRP 9 8.295 -4.111 4.139 42 HE1 TRP 9 HE1 TRP 9 10.425 -4.739 5.564 43 HE3 TRP 9 HE3 TRP 9 8.147 -9.093 3.135 44 HZ2 TRP 9 HZ2 TRP 9 11.779 -7.193 6.100 45 HZ3 TRP 9 HZ3 TRP 9 9.910 -10.535 4.147 46 HH2 TRP 9 HH2 TRP 9 11.683 -9.660 5.585 47 HB3 TRP 9 2HB TRP 9 6.722 -5.295 2.367 48 H GLU 10 H GLU 10 4.172 -4.911 2.576 49 HA GLU 10 HA GLU 10 2.773 -6.696 0.775 50 HB3 GLU 10 2HB GLU 10 1.142 -4.711 2.358 51 HG3 GLU 10 2HG GLU 10 0.566 -6.541 0.342 52 H ILE 11 H ILE 11 2.762 -5.805 -1.243 53 HA ILE 11 HA ILE 11 2.892 -2.872 -1.381 54 HB ILE 11 HB ILE 11 4.279 -4.935 -3.094 55 HG13 ILE 11 2HG1 ILE 11 5.082 -3.839 -0.704 56 HG21 ILE 11 1HG2 ILE 11 3.948 -3.466 -4.759 57 HG22 ILE 11 2HG2 ILE 11 3.527 -2.137 -3.651 58 HG23 ILE 11 3HG2 ILE 11 5.235 -2.537 -3.951 59 HD11 ILE 11 3HD1 ILE 11 7.236 -4.340 -2.705 60 HD12 ILE 11 1HD1 ILE 11 6.978 -5.073 -1.104 61 HD13 ILE 11 2HD1 ILE 11 6.049 -5.652 -2.508 62 H ARG 12 H ARG 12 1.147 -1.959 -2.316 63 HA ARG 12 HA ARG 12 -0.412 -3.713 -4.040 64 HE ARG 12 HE ARG 12 -4.292 -3.052 -1.740 65 HB3 ARG 12 2HB ARG 12 -2.372 -2.208 -3.405 66 HG3 ARG 12 2HG ARG 12 -2.181 -2.941 -0.817 67 HD3 ARG 12 2HD ARG 12 -2.705 -5.354 -1.629 68 HH11 ARG 12 2HH2 ARG 12 -4.104 -6.068 -3.545 69 HH12 ARG 12 1HH2 ARG 12 -5.789 -6.082 -3.946 70 HH21 ARG 12 2HH1 ARG 12 -6.515 -3.072 -2.268 71 HH22 ARG 12 1HH1 ARG 12 -7.170 -4.366 -3.213 72 H TYR 13 H TYR 13 -0.919 -2.965 -6.128 73 HA TYR 13 HA TYR 13 0.096 -0.280 -6.775 74 HD1 TYR 13 HD1 TYR 13 0.952 -4.130 -6.631 75 HD2 TYR 13 HD2 TYR 13 -1.381 -2.990 -10.031 76 HE1 TYR 13 HE1 TYR 13 0.143 -6.526 -6.888 77 HE2 TYR 13 HE2 TYR 13 -2.184 -5.390 -10.277 78 HH TYR 13 HH TYR 13 -2.167 -7.533 -8.028 79 HB3 TYR 13 2HB TYR 13 1.380 -1.987 -7.930 80 H THR 14 H THR 14 -1.109 1.004 -8.296 81 HA THR 14 HA THR 14 -3.779 0.014 -8.953 82 HB THR 14 HB THR 14 -3.097 2.479 -7.279 83 HG1 THR 14 HG1 THR 14 -4.643 1.315 -5.916 84 HG21 THR 14 3HG2 THR 14 -5.562 2.961 -7.378 85 HG22 THR 14 1HG2 THR 14 -4.791 3.168 -8.969 86 HG23 THR 14 2HG2 THR 14 -5.740 1.702 -8.623 87 H ARG 15 H ARG 15 -2.623 3.385 -9.092 88 HA ARG 15 HA ARG 15 -3.228 3.470 -11.816 89 HE ARG 15 HE ARG 15 -5.476 6.613 -12.975 90 HB3 ARG 15 2HB ARG 15 -1.396 5.580 -10.800 91 HG3 ARG 15 2HG ARG 15 -3.619 5.323 -12.577 92 HD3 ARG 15 2HD ARG 15 -4.151 7.465 -10.475 93 HH11 ARG 15 2HH2 ARG 15 -5.733 8.442 -9.980 94 HH12 ARG 15 1HH2 ARG 15 -7.037 9.431 -10.547 95 HH21 ARG 15 2HH1 ARG 15 -7.194 7.918 -13.723 96 HH22 ARG 15 1HH1 ARG 15 -7.873 9.132 -12.691 97 H GLU 16 H GLU 16 -1.298 4.769 -13.224 98 HA GLU 16 HA GLU 16 0.321 3.003 -14.229 99 HB3 GLU 16 2HB GLU 16 0.355 5.159 -15.202 100 HG3 GLU 16 2HG GLU 16 1.778 6.488 -12.916 101 H GLY 17 H GLY 17 1.454 5.156 -11.515 102 HA2 GLY 17 1HA GLY 17 3.032 2.905 -10.484 103 HA3 GLY 17 2HA GLY 17 3.863 4.390 -10.902 104 H VAL 18 H VAL 18 0.552 4.000 -9.496 105 HA VAL 18 HA VAL 18 1.328 5.835 -7.387 106 HB VAL 18 HB VAL 18 -0.968 5.387 -8.912 107 HG11 VAL 18 1HG1 VAL 18 -2.716 4.748 -7.461 108 HG12 VAL 18 2HG1 VAL 18 -1.433 3.545 -7.190 109 HG13 VAL 18 3HG1 VAL 18 -1.678 4.862 -6.019 110 HG21 VAL 18 3HG2 VAL 18 -0.675 7.571 -8.319 111 HG22 VAL 18 1HG2 VAL 18 -1.868 7.120 -7.077 112 HG23 VAL 18 2HG2 VAL 18 -0.135 7.170 -6.670 113 H ARG 19 H ARG 19 1.475 2.518 -7.955 114 HA ARG 19 HA ARG 19 0.413 1.246 -5.901 115 HE ARG 19 HE ARG 19 3.995 2.218 -8.949 116 HB3 ARG 19 2HB ARG 19 2.170 0.516 -7.780 117 HG3 ARG 19 2HG ARG 19 4.357 -0.094 -6.777 118 HD3 ARG 19 2HD ARG 19 5.125 2.381 -6.232 119 HH11 ARG 19 2HH2 ARG 19 6.607 1.243 -6.803 120 HH12 ARG 19 1HH2 ARG 19 7.709 0.892 -8.093 121 HH21 ARG 19 2HH1 ARG 19 5.447 1.756 -10.652 122 HH22 ARG 19 1HH1 ARG 19 7.044 1.187 -10.297 123 H TYR 20 H TYR 20 1.473 0.392 -3.795 124 HA TYR 20 HA TYR 20 3.389 2.231 -2.621 125 HD1 TYR 20 HD2 TYR 20 -0.363 0.218 -1.552 126 HD2 TYR 20 HD1 TYR 20 0.145 4.124 -3.223 127 HE1 TYR 20 HE2 TYR 20 -2.652 0.055 -2.648 128 HE2 TYR 20 HE1 TYR 20 -2.145 3.947 -4.313 129 HH TYR 20 HH TYR 20 -4.302 1.316 -3.558 130 HB3 TYR 20 2HB TYR 20 1.651 3.335 -1.537 131 H PHE 21 H PHE 21 4.014 1.450 -0.346 132 HA PHE 21 HA PHE 21 3.749 -1.472 -0.241 133 HD1 PHE 21 HD1 PHE 21 4.708 -1.130 -2.400 134 HD2 PHE 21 HD2 PHE 21 7.891 0.958 -0.526 135 HE1 PHE 21 HE1 PHE 21 5.558 -0.407 -4.648 136 HE2 PHE 21 HE2 PHE 21 8.741 1.682 -2.774 137 HZ PHE 21 HZ PHE 21 7.564 0.991 -4.808 138 HB3 PHE 21 2HB PHE 21 6.106 -1.569 0.240 139 H VAL 22 H VAL 22 3.674 -2.425 1.869 140 HA VAL 22 HA VAL 22 3.664 -0.605 4.128 141 HB VAL 22 HB VAL 22 1.269 -2.226 3.252 142 HG11 VAL 22 1HG1 VAL 22 0.563 -0.768 5.527 143 HG12 VAL 22 2HG1 VAL 22 0.810 -2.528 5.420 144 HG13 VAL 22 3HG1 VAL 22 2.150 -1.469 5.924 145 HG21 VAL 22 3HG2 VAL 22 1.348 -0.095 2.144 146 HG22 VAL 22 1HG2 VAL 22 0.120 -0.001 3.429 147 HG23 VAL 22 2HG2 VAL 22 1.717 0.745 3.669 148 H ASP 23 H ASP 23 5.224 -1.578 5.333 149 HA ASP 23 HA ASP 23 5.643 -4.356 5.166 150 HB3 ASP 23 2HB ASP 23 6.686 -2.163 7.004 151 H HIS 24 H HIS 24 5.512 -5.852 7.115 152 HA HIS 24 HA HIS 24 3.089 -6.078 8.194 153 HD1 HIS 24 HD1 HIS 24 2.060 -7.813 9.683 154 HD2 HIS 24 HD2 HIS 24 5.599 -7.774 11.934 155 HE1 HIS 24 HE1 HIS 24 1.449 -8.717 11.990 156 HE2 HIS 24 HE2 HIS 24 3.675 -8.720 13.310 157 HB3 HIS 24 2HB HIS 24 5.766 -6.815 9.395 158 H ASN 25 H ASN 25 5.599 -3.775 9.142 159 HA ASN 25 HA ASN 25 3.727 -2.782 11.141 160 HB3 ASN 25 2HB ASN 25 6.422 -1.947 11.784 161 HD21 ASN 25 1HD2 ASN 25 4.777 -1.091 13.238 162 HD22 ASN 25 2HD2 ASN 25 4.288 -2.012 14.620 163 H THR 26 H THR 26 3.951 -0.353 11.471 164 HA THR 26 HA THR 26 4.052 1.034 9.069 165 HB THR 26 HB THR 26 2.822 1.832 11.037 166 HG1 THR 26 HG1 THR 26 3.450 3.718 10.046 167 HG21 THR 26 3HG2 THR 26 4.784 3.007 12.675 168 HG22 THR 26 1HG2 THR 26 3.808 1.578 13.094 169 HG23 THR 26 2HG2 THR 26 5.421 1.373 12.368 170 H ARG 27 H ARG 27 6.615 -0.515 10.435 171 HA ARG 27 HA ARG 27 8.602 1.352 10.511 172 HE ARG 27 HE ARG 27 8.322 -3.116 11.331 173 HB3 ARG 27 2HB ARG 27 8.768 -1.078 11.209 174 HG3 ARG 27 2HG ARG 27 9.160 -1.518 8.210 175 HD3 ARG 27 2HD ARG 27 10.625 -2.934 9.695 176 HH11 ARG 27 2HH2 ARG 27 10.705 -5.296 9.933 177 HH12 ARG 27 1HH2 ARG 27 10.567 -6.466 11.202 178 HH21 ARG 27 2HH1 ARG 27 8.140 -4.659 13.005 179 HH22 ARG 27 1HH1 ARG 27 9.098 -6.102 12.962 180 H THR 28 H THR 28 7.159 -0.433 7.741 181 HA THR 28 HA THR 28 8.504 1.440 5.939 182 HB THR 28 HB THR 28 8.884 -1.524 6.141 183 HG1 THR 28 HG1 THR 28 10.223 0.703 4.777 184 HG21 THR 28 3HG2 THR 28 8.203 -0.085 3.564 185 HG22 THR 28 1HG2 THR 28 9.519 -1.282 3.551 186 HG23 THR 28 2HG2 THR 28 7.875 -1.773 4.023 187 H THR 29 H THR 29 6.732 2.601 5.365 188 HA THR 29 HA THR 29 4.659 1.076 3.968 189 HB THR 29 HB THR 29 4.377 2.836 6.403 190 HG1 THR 29 HG1 THR 29 3.944 0.597 6.599 191 HG21 THR 29 3HG2 THR 29 2.857 4.158 5.229 192 HG22 THR 29 1HG2 THR 29 2.639 2.941 3.949 193 HG23 THR 29 2HG2 THR 29 1.805 2.750 5.510 194 H THR 30 H THR 30 4.868 1.704 1.910 195 HA THR 30 HA THR 30 5.615 4.486 1.402 196 HB THR 30 HB THR 30 5.809 1.835 -0.007 197 HG1 THR 30 HG1 THR 30 7.260 4.375 0.241 198 HG21 THR 30 3HG2 THR 30 6.013 2.802 -2.195 199 HG22 THR 30 1HG2 THR 30 4.492 3.476 -1.562 200 HG23 THR 30 2HG2 THR 30 5.976 4.460 -1.550 201 H PHE 31 H PHE 31 4.181 6.008 0.887 202 HA PHE 31 HA PHE 31 1.569 5.057 -0.059 203 HD1 PHE 31 HD1 PHE 31 3.810 6.480 3.026 204 HD2 PHE 31 HD2 PHE 31 1.694 9.348 0.723 205 HE1 PHE 31 HE1 PHE 31 5.397 8.266 3.792 206 HE2 PHE 31 HE2 PHE 31 3.281 11.134 1.489 207 HZ PHE 31 HZ PHE 31 5.114 10.573 3.014 208 HB3 PHE 31 2HB PHE 31 1.482 6.065 2.204 209 H LYS 32 H LYS 32 0.854 5.832 -2.006 210 HA LYS 32 HA LYS 32 2.503 7.928 -3.225 211 HB3 LYS 32 2HB LYS 32 0.747 6.441 -5.023 212 HG3 LYS 32 2HG LYS 32 2.642 7.820 -5.793 213 HD3 LYS 32 2HD LYS 32 4.833 6.086 -5.036 214 HE3 LYS 32 2HE LYS 32 4.533 8.821 -3.844 215 HZ1 LYS 32 3HZ LYS 32 6.552 7.119 -4.595 216 HZ2 LYS 32 1HZ LYS 32 6.651 8.390 -5.614 217 HZ3 LYS 32 2HZ LYS 32 6.705 8.632 -4.000 218 H ASP 33 H ASP 33 1.260 9.392 -4.785 219 HA ASP 33 HA ASP 33 -0.490 10.895 -3.455 220 HB3 ASP 33 2HB ASP 33 -1.421 11.129 -6.079 221 HA PRO 34 HA PRO 34 -4.382 8.882 -3.666 222 HB3 PRO 34 2HB PRO 34 -5.441 10.518 -2.442 223 HG3 PRO 34 2HG PRO 34 -4.452 12.599 -2.557 224 HD3 PRO 34 2HD PRO 34 -2.300 11.998 -3.101 225 H ARG 35 H ARG 35 -2.881 9.069 -6.170 226 HA ARG 35 HA ARG 35 -4.765 9.613 -8.161 227 HE ARG 35 HE ARG 35 -3.050 12.773 -9.804 228 HB3 ARG 35 2HB ARG 35 -2.670 7.695 -8.949 229 HG3 ARG 35 2HG ARG 35 -3.974 9.925 -10.033 230 HD3 ARG 35 2HD ARG 35 -1.075 10.697 -10.110 231 HH11 ARG 35 2HH2 ARG 35 -1.929 10.364 -12.111 232 HH12 ARG 35 1HH2 ARG 35 -2.462 11.256 -13.496 233 HH21 ARG 35 2HH1 ARG 35 -3.753 13.952 -11.632 234 HH22 ARG 35 1HH1 ARG 35 -3.505 13.311 -13.222 235 H ASN 36 H ASN 36 -3.956 6.784 -6.188 236 HA ASN 36 HA ASN 36 -4.918 4.799 -7.827 237 HB3 ASN 36 2HB ASN 36 -3.759 4.050 -5.898 238 HD21 ASN 36 1HD2 ASN 36 -5.573 3.894 -3.397 239 HD22 ASN 36 2HD2 ASN 36 -5.170 5.309 -2.483 240 H GLY 37 H GLY 37 -6.524 7.427 -6.248 241 HA2 GLY 37 1HA GLY 37 -9.063 6.119 -5.820 242 HA3 GLY 37 2HA GLY 37 -8.681 7.818 -5.624 243 H LYS 38 H LYS 38 -8.110 5.759 -8.539 244 HA LYS 38 HA LYS 38 -8.735 7.461 -10.457 245 HB3 LYS 38 2HB LYS 38 -9.908 5.263 -11.512 246 HG3 LYS 38 2HG LYS 38 -6.963 5.785 -10.910 247 HD3 LYS 38 2HD LYS 38 -6.683 4.252 -12.999 248 HE3 LYS 38 2HE LYS 38 -7.647 2.569 -10.710 249 HZ1 LYS 38 3HZ LYS 38 -4.921 2.519 -11.411 250 HZ2 LYS 38 1HZ LYS 38 -6.027 1.320 -11.493 251 HZ3 LYS 38 2HZ LYS 38 -5.853 2.357 -12.742 252 H SER 39 H SER 39 -10.360 8.836 -10.923 253 HA SER 39 HA SER 39 -12.714 8.775 -9.432 254 HG SER 39 HG SER 39 -13.811 11.625 -11.345 255 HB3 SER 39 2HB SER 39 -12.248 10.249 -12.058 Start of MODEL 5 1 HA ASN 1 HA ASN 1 5.575 -3.719 -5.702 2 H1 ASN 1 HT1 ASN 1 4.805 -2.978 -8.056 3 HB3 ASN 1 2HB ASN 1 3.858 -5.297 -7.668 4 HD21 ASN 1 1HD2 ASN 1 4.988 -7.266 -7.052 5 HD22 ASN 1 2HD2 ASN 1 4.550 -8.093 -5.594 6 H GLU 2 H GLU 2 7.557 -4.649 -5.118 7 HA GLU 2 HA GLU 2 8.802 -6.534 -6.830 8 HB3 GLU 2 2HB GLU 2 10.091 -4.887 -5.490 9 HG3 GLU 2 2HG GLU 2 9.352 -6.590 -3.071 10 H GLU 3 H GLU 3 7.338 -6.637 -3.507 11 HA GLU 3 HA GLU 3 7.479 -9.521 -3.635 12 HB3 GLU 3 2HB GLU 3 6.228 -8.494 -1.220 13 HG3 GLU 3 2HG GLU 3 7.409 -10.613 -1.233 14 HA PRO 4 HA PRO 4 3.263 -9.777 -4.668 15 HB3 PRO 4 2HB PRO 4 3.561 -11.837 -5.652 16 HG3 PRO 4 2HG PRO 4 5.456 -12.963 -4.975 17 HD3 PRO 4 2HD PRO 4 6.758 -11.196 -4.291 18 H LEU 5 H LEU 5 3.575 -8.440 -2.350 19 HA LEU 5 HA LEU 5 2.791 -8.234 -0.246 20 HG LEU 5 HG LEU 5 0.305 -9.621 -2.644 21 HB3 LEU 5 2HB LEU 5 1.091 -7.096 -1.200 22 HD11 LEU 5 1HD1 LEU 5 -1.811 -8.988 -1.938 23 HD12 LEU 5 2HD1 LEU 5 -1.425 -7.252 -1.989 24 HD13 LEU 5 3HD1 LEU 5 -1.655 -8.156 -3.505 25 HD21 LEU 5 3HD2 LEU 5 1.864 -7.440 -3.354 26 HD22 LEU 5 1HD2 LEU 5 1.140 -8.634 -4.457 27 HD23 LEU 5 2HD2 LEU 5 0.291 -7.107 -4.116 28 HA PRO 6 HA PRO 6 2.355 -12.708 0.600 29 HB3 PRO 6 2HB PRO 6 4.427 -13.526 0.016 30 HG3 PRO 6 2HG PRO 6 5.989 -11.909 -0.500 31 HD3 PRO 6 2HD PRO 6 4.602 -10.181 -1.112 32 H GLU 7 H GLU 7 4.709 -12.054 2.979 33 HA GLU 7 HA GLU 7 2.537 -11.408 4.812 34 HB3 GLU 7 2HB GLU 7 3.137 -13.770 5.122 35 HG3 GLU 7 2HG GLU 7 5.940 -12.827 5.849 36 H GLY 8 H GLY 8 6.151 -11.536 4.420 37 HA2 GLY 8 1HA GLY 8 7.062 -9.951 6.362 38 HA3 GLY 8 2HA GLY 8 7.666 -9.868 4.718 39 H TRP 9 H TRP 9 6.135 -8.519 3.146 40 HA TRP 9 HA TRP 9 5.011 -6.243 4.601 41 HD1 TRP 9 HD1 TRP 9 7.727 -6.306 5.873 42 HE1 TRP 9 HE1 TRP 9 10.272 -7.004 5.907 43 HE3 TRP 9 HE3 TRP 9 8.456 -5.868 0.860 44 HZ2 TRP 9 HZ2 TRP 9 12.259 -7.288 3.879 45 HZ3 TRP 9 HZ3 TRP 9 10.728 -6.373 -0.032 46 HH2 TRP 9 HH2 TRP 9 12.593 -7.063 1.389 47 HB3 TRP 9 2HB TRP 9 6.350 -4.678 3.698 48 H GLU 10 H GLU 10 3.536 -4.958 3.149 49 HA GLU 10 HA GLU 10 2.524 -6.688 1.026 50 HB3 GLU 10 2HB GLU 10 0.679 -4.698 2.282 51 HG3 GLU 10 2HG GLU 10 0.195 -6.555 0.480 52 H ILE 11 H ILE 11 2.525 -5.824 -1.013 53 HA ILE 11 HA ILE 11 2.764 -2.900 -1.188 54 HB ILE 11 HB ILE 11 4.153 -5.051 -2.780 55 HG13 ILE 11 2HG1 ILE 11 4.888 -3.669 -0.458 56 HG21 ILE 11 1HG2 ILE 11 5.157 -2.751 -3.788 57 HG22 ILE 11 2HG2 ILE 11 3.835 -3.679 -4.537 58 HG23 ILE 11 3HG2 ILE 11 3.465 -2.269 -3.515 59 HD11 ILE 11 3HD1 ILE 11 7.109 -4.721 -0.904 60 HD12 ILE 11 1HD1 ILE 11 5.769 -5.857 -1.187 61 HD13 ILE 11 2HD1 ILE 11 6.586 -5.082 -2.566 62 H ARG 12 H ARG 12 1.075 -1.944 -2.181 63 HA ARG 12 HA ARG 12 -0.485 -3.665 -3.937 64 HE ARG 12 HE ARG 12 -4.220 -2.851 -1.530 65 HB3 ARG 12 2HB ARG 12 -1.405 -1.259 -2.283 66 HG3 ARG 12 2HG ARG 12 -2.560 -2.073 -4.610 67 HD3 ARG 12 2HD ARG 12 -2.900 -4.404 -3.592 68 HH11 ARG 12 2HH2 ARG 12 -4.387 -5.902 -3.274 69 HH12 ARG 12 1HH2 ARG 12 -5.218 -6.731 -2.000 70 HH21 ARG 12 2HH1 ARG 12 -5.316 -3.944 0.151 71 HH22 ARG 12 1HH1 ARG 12 -5.749 -5.610 -0.039 72 H TYR 13 H TYR 13 -1.059 -2.849 -6.010 73 HA TYR 13 HA TYR 13 0.069 -0.204 -6.642 74 HD1 TYR 13 HD1 TYR 13 1.069 -3.624 -6.033 75 HD2 TYR 13 HD2 TYR 13 -0.865 -3.503 -9.846 76 HE1 TYR 13 HE1 TYR 13 0.683 -6.134 -5.924 77 HE2 TYR 13 HE2 TYR 13 -1.244 -6.014 -9.725 78 HH TYR 13 HH TYR 13 -0.489 -7.899 -8.680 79 HB3 TYR 13 2HB TYR 13 1.418 -1.708 -7.883 80 H THR 14 H THR 14 -1.050 1.030 -8.297 81 HA THR 14 HA THR 14 -3.706 0.044 -9.009 82 HB THR 14 HB THR 14 -4.306 1.249 -7.053 83 HG1 THR 14 HG1 THR 14 -5.426 2.171 -8.854 84 HG21 THR 14 3HG2 THR 14 -2.983 3.811 -7.494 85 HG22 THR 14 1HG2 THR 14 -2.927 2.770 -6.052 86 HG23 THR 14 2HG2 THR 14 -1.765 2.518 -7.375 87 H ARG 15 H ARG 15 -1.751 3.097 -9.206 88 HA ARG 15 HA ARG 15 -2.497 3.199 -11.984 89 HE ARG 15 HE ARG 15 -4.016 6.103 -14.015 90 HB3 ARG 15 2HB ARG 15 -0.684 5.291 -10.841 91 HG3 ARG 15 2HG ARG 15 -2.212 5.174 -13.072 92 HD3 ARG 15 2HD ARG 15 -3.986 6.786 -11.211 93 HH11 ARG 15 2HH2 ARG 15 -6.153 6.561 -11.258 94 HH12 ARG 15 1HH2 ARG 15 -7.522 6.996 -12.227 95 HH21 ARG 15 2HH1 ARG 15 -5.821 6.677 -15.296 96 HH22 ARG 15 1HH1 ARG 15 -7.331 7.062 -14.539 97 H GLU 16 H GLU 16 -0.463 4.329 -13.347 98 HA GLU 16 HA GLU 16 1.189 2.450 -14.085 99 HB3 GLU 16 2HB GLU 16 1.878 5.399 -13.748 100 HG3 GLU 16 2HG GLU 16 3.948 4.047 -14.083 101 H GLY 17 H GLY 17 2.080 4.821 -11.468 102 HA2 GLY 17 1HA GLY 17 3.662 2.703 -10.193 103 HA3 GLY 17 2HA GLY 17 4.465 4.196 -10.639 104 H VAL 18 H VAL 18 1.047 3.892 -9.542 105 HA VAL 18 HA VAL 18 1.654 5.773 -7.418 106 HB VAL 18 HB VAL 18 -0.836 4.712 -8.724 107 HG11 VAL 18 1HG1 VAL 18 -0.630 6.190 -6.091 108 HG12 VAL 18 2HG1 VAL 18 -2.097 6.219 -7.097 109 HG13 VAL 18 3HG1 VAL 18 -1.493 4.675 -6.447 110 HG21 VAL 18 3HG2 VAL 18 0.679 6.759 -9.471 111 HG22 VAL 18 1HG2 VAL 18 -1.096 6.829 -9.577 112 HG23 VAL 18 2HG2 VAL 18 -0.255 7.605 -8.215 113 H ARG 19 H ARG 19 1.801 2.452 -7.851 114 HA ARG 19 HA ARG 19 0.449 1.341 -5.818 115 HE ARG 19 HE ARG 19 6.300 2.451 -6.756 116 HB3 ARG 19 2HB ARG 19 2.047 0.267 -7.567 117 HG3 ARG 19 2HG ARG 19 4.319 -0.236 -6.761 118 HD3 ARG 19 2HD ARG 19 4.027 2.756 -6.347 119 HH11 ARG 19 2HH2 ARG 19 4.495 0.179 -8.747 120 HH12 ARG 19 1HH2 ARG 19 5.903 -0.427 -9.556 121 HH21 ARG 19 2HH1 ARG 19 8.156 1.652 -7.822 122 HH22 ARG 19 1HH1 ARG 19 7.999 0.416 -9.026 123 H TYR 20 H TYR 20 1.464 0.411 -3.674 124 HA TYR 20 HA TYR 20 3.408 2.217 -2.486 125 HD1 TYR 20 HD1 TYR 20 -0.488 0.364 -1.314 126 HD2 TYR 20 HD2 TYR 20 0.308 4.075 -3.290 127 HE1 TYR 20 HE1 TYR 20 -2.759 0.254 -2.451 128 HE2 TYR 20 HE2 TYR 20 -1.965 3.952 -4.420 129 HH TYR 20 HH TYR 20 -4.224 2.812 -3.799 130 HB3 TYR 20 2HB TYR 20 1.679 3.342 -1.413 131 H PHE 21 H PHE 21 3.980 1.433 -0.191 132 HA PHE 21 HA PHE 21 3.645 -1.479 -0.058 133 HD1 PHE 21 HD1 PHE 21 4.654 -1.269 -2.264 134 HD2 PHE 21 HD2 PHE 21 7.791 0.917 -0.423 135 HE1 PHE 21 HE1 PHE 21 5.486 -0.562 -4.523 136 HE2 PHE 21 HE2 PHE 21 8.624 1.624 -2.683 137 HZ PHE 21 HZ PHE 21 7.462 0.875 -4.707 138 HB3 PHE 21 2HB PHE 21 6.003 -1.664 0.352 139 H VAL 22 H VAL 22 3.545 -2.391 2.061 140 HA VAL 22 HA VAL 22 3.661 -0.537 4.291 141 HB VAL 22 HB VAL 22 1.377 -0.331 3.556 142 HG11 VAL 22 1HG1 VAL 22 0.248 -2.885 4.034 143 HG12 VAL 22 2HG1 VAL 22 0.354 -2.003 2.492 144 HG13 VAL 22 3HG1 VAL 22 1.645 -3.137 2.959 145 HG21 VAL 22 3HG2 VAL 22 0.583 -1.988 5.744 146 HG22 VAL 22 1HG2 VAL 22 2.176 -1.293 6.124 147 HG23 VAL 22 2HG2 VAL 22 0.815 -0.224 5.709 148 H ASP 23 H ASP 23 5.139 -1.529 5.566 149 HA ASP 23 HA ASP 23 5.450 -4.341 5.421 150 HB3 ASP 23 2HB ASP 23 6.800 -3.295 7.718 151 H HIS 24 H HIS 24 5.267 -5.786 7.386 152 HA HIS 24 HA HIS 24 2.885 -5.807 8.575 153 HD1 HIS 24 HD1 HIS 24 4.660 -9.480 10.587 154 HD2 HIS 24 HD2 HIS 24 1.736 -6.472 10.607 155 HE1 HIS 24 HE1 HIS 24 2.702 -10.395 11.943 156 HE2 HIS 24 HE2 HIS 24 0.958 -8.482 11.965 157 HB3 HIS 24 2HB HIS 24 5.360 -6.648 10.085 158 H ASN 25 H ASN 25 5.607 -3.696 9.371 159 HA ASN 25 HA ASN 25 3.914 -2.536 11.439 160 HB3 ASN 25 2HB ASN 25 6.602 -1.839 12.050 161 HD21 ASN 25 1HD2 ASN 25 7.127 -4.188 13.689 162 HD22 ASN 25 2HD2 ASN 25 5.961 -4.201 14.970 163 H THR 26 H THR 26 4.382 -0.125 11.740 164 HA THR 26 HA THR 26 4.428 1.235 9.323 165 HB THR 26 HB THR 26 3.464 2.064 11.479 166 HG1 THR 26 HG1 THR 26 3.957 3.753 10.059 167 HG21 THR 26 3HG2 THR 26 4.900 2.965 13.219 168 HG22 THR 26 1HG2 THR 26 5.455 1.298 12.931 169 HG23 THR 26 2HG2 THR 26 6.361 2.670 12.246 170 H ARG 27 H ARG 27 6.936 -0.541 10.494 171 HA ARG 27 HA ARG 27 9.092 1.113 10.421 172 HE ARG 27 HE ARG 27 11.274 -2.838 12.617 173 HB3 ARG 27 2HB ARG 27 10.246 -1.099 9.458 174 HG3 ARG 27 2HG ARG 27 9.161 -0.374 12.104 175 HD3 ARG 27 2HD ARG 27 8.658 -3.052 11.291 176 HH11 ARG 27 2HH2 ARG 27 8.474 -4.883 12.017 177 HH12 ARG 27 1HH2 ARG 27 9.321 -6.358 12.344 178 HH21 ARG 27 2HH1 ARG 27 12.392 -4.783 13.049 179 HH22 ARG 27 1HH1 ARG 27 11.564 -6.301 12.935 180 H THR 28 H THR 28 7.338 -0.535 7.731 181 HA THR 28 HA THR 28 8.645 1.306 5.866 182 HB THR 28 HB THR 28 8.922 -1.662 6.021 183 HG1 THR 28 HG1 THR 28 10.182 0.538 4.539 184 HG21 THR 28 3HG2 THR 28 8.282 -0.185 3.420 185 HG22 THR 28 1HG2 THR 28 9.220 -1.698 3.462 186 HG23 THR 28 2HG2 THR 28 7.532 -1.682 4.024 187 H THR 29 H THR 29 6.905 2.564 5.422 188 HA THR 29 HA THR 29 4.646 1.157 4.189 189 HB THR 29 HB THR 29 4.579 3.224 6.440 190 HG1 THR 29 HG1 THR 29 4.443 1.146 7.278 191 HG21 THR 29 3HG2 THR 29 2.154 2.075 4.992 192 HG22 THR 29 1HG2 THR 29 2.212 3.435 6.140 193 HG23 THR 29 2HG2 THR 29 2.863 3.630 4.495 194 H THR 30 H THR 30 4.898 1.708 2.098 195 HA THR 30 HA THR 30 5.672 4.463 1.503 196 HB THR 30 HB THR 30 5.771 1.777 0.143 197 HG1 THR 30 HG1 THR 30 7.739 2.615 0.873 198 HG21 THR 30 3HG2 THR 30 5.955 2.697 -2.060 199 HG22 THR 30 1HG2 THR 30 4.486 3.460 -1.408 200 HG23 THR 30 2HG2 THR 30 6.017 4.365 -1.447 201 H PHE 31 H PHE 31 4.246 5.996 0.999 202 HA PHE 31 HA PHE 31 1.596 5.066 0.138 203 HD1 PHE 31 HD1 PHE 31 -0.620 7.446 0.511 204 HD2 PHE 31 HD2 PHE 31 1.195 5.289 3.682 205 HE1 PHE 31 HE1 PHE 31 -2.889 6.832 1.391 206 HE2 PHE 31 HE2 PHE 31 -1.074 4.674 4.563 207 HZ PHE 31 HZ PHE 31 -3.088 5.454 3.407 208 HB3 PHE 31 2HB PHE 31 1.775 7.814 1.184 209 H LYS 32 H LYS 32 1.080 5.585 -1.930 210 HA LYS 32 HA LYS 32 2.567 7.803 -3.140 211 HB3 LYS 32 2HB LYS 32 1.327 6.375 -5.182 212 HG3 LYS 32 2HG LYS 32 3.678 5.479 -5.540 213 HD3 LYS 32 2HD LYS 32 4.763 7.768 -5.687 214 HE3 LYS 32 2HE LYS 32 1.864 7.595 -6.642 215 HZ1 LYS 32 3HZ LYS 32 4.135 9.250 -7.491 216 HZ2 LYS 32 1HZ LYS 32 2.770 9.069 -8.369 217 HZ3 LYS 32 2HZ LYS 32 2.706 9.773 -6.897 218 H ASP 33 H ASP 33 1.289 9.072 -4.827 219 HA ASP 33 HA ASP 33 -0.722 10.395 -3.675 220 HB3 ASP 33 2HB ASP 33 -1.414 11.058 -6.023 221 HA PRO 34 HA PRO 34 -4.206 7.746 -4.000 222 HB3 PRO 34 2HB PRO 34 -5.348 8.912 -2.375 223 HG3 PRO 34 2HG PRO 34 -4.628 11.080 -2.060 224 HD3 PRO 34 2HD PRO 34 -2.474 10.913 -2.844 225 H ARG 35 H ARG 35 -3.078 7.906 -6.399 226 HA ARG 35 HA ARG 35 -4.818 9.072 -8.254 227 HE ARG 35 HE ARG 35 -3.900 11.258 -10.062 228 HB3 ARG 35 2HB ARG 35 -3.203 6.832 -9.298 229 HG3 ARG 35 2HG ARG 35 -4.072 9.209 -10.283 230 HD3 ARG 35 2HD ARG 35 -1.277 10.042 -10.245 231 HH11 ARG 35 2HH2 ARG 35 -0.503 11.831 -9.347 232 HH12 ARG 35 1HH2 ARG 35 -0.643 13.555 -9.442 233 HH21 ARG 35 2HH1 ARG 35 -4.084 13.531 -10.187 234 HH22 ARG 35 1HH1 ARG 35 -2.693 14.529 -9.923 235 H ASN 36 H ASN 36 -4.714 6.002 -6.533 236 HA ASN 36 HA ASN 36 -6.091 4.438 -8.354 237 HB3 ASN 36 2HB ASN 36 -4.892 3.606 -6.288 238 HD21 ASN 36 1HD2 ASN 36 -7.983 3.276 -4.917 239 HD22 ASN 36 2HD2 ASN 36 -7.777 4.252 -3.501 240 H GLY 37 H GLY 37 -7.033 7.224 -6.592 241 HA2 GLY 37 1HA GLY 37 -9.782 6.483 -6.097 242 HA3 GLY 37 2HA GLY 37 -9.027 8.044 -5.846 243 H LYS 38 H LYS 38 -8.932 6.119 -8.890 244 HA LYS 38 HA LYS 38 -9.287 8.034 -10.670 245 HB3 LYS 38 2HB LYS 38 -8.986 5.839 -11.449 246 HG3 LYS 38 2HG LYS 38 -11.730 4.939 -10.562 247 HD3 LYS 38 2HD LYS 38 -9.622 3.762 -11.971 248 HE3 LYS 38 2HE LYS 38 -8.645 3.659 -9.450 249 HZ1 LYS 38 3HZ LYS 38 -10.610 1.522 -9.677 250 HZ2 LYS 38 1HZ LYS 38 -9.236 1.261 -8.835 251 HZ3 LYS 38 2HZ LYS 38 -10.254 2.458 -8.388 252 H SER 39 H SER 39 -10.639 9.716 -10.959 253 HA SER 39 HA SER 39 -12.949 9.942 -9.415 254 HG SER 39 HG SER 39 -12.513 12.943 -9.498 255 HB3 SER 39 2HB SER 39 -13.348 11.907 -11.165 Start of MODEL 6 1 HA ASN 1 HA ASN 1 5.837 -3.820 -5.566 2 H1 ASN 1 HT1 ASN 1 5.031 -3.263 -7.863 3 HB3 ASN 1 2HB ASN 1 3.641 -4.645 -6.507 4 HD21 ASN 1 1HD2 ASN 1 4.281 -7.791 -5.971 5 HD22 ASN 1 2HD2 ASN 1 4.333 -8.421 -7.583 6 H GLU 2 H GLU 2 7.627 -4.773 -4.580 7 HA GLU 2 HA GLU 2 9.280 -6.471 -6.173 8 HB3 GLU 2 2HB GLU 2 10.216 -4.687 -4.692 9 HG3 GLU 2 2HG GLU 2 9.436 -6.549 -2.404 10 H GLU 3 H GLU 3 7.428 -6.711 -3.062 11 HA GLU 3 HA GLU 3 7.924 -9.551 -3.058 12 HB3 GLU 3 2HB GLU 3 6.155 -8.785 -0.937 13 HG3 GLU 3 2HG GLU 3 7.808 -10.505 -0.608 14 HA PRO 4 HA PRO 4 4.018 -10.502 -4.695 15 HB3 PRO 4 2HB PRO 4 4.666 -12.655 -5.191 16 HG3 PRO 4 2HG PRO 4 6.448 -13.434 -3.952 17 HD3 PRO 4 2HD PRO 4 7.442 -11.444 -3.371 18 H LEU 5 H LEU 5 3.596 -8.722 -2.814 19 HA LEU 5 HA LEU 5 2.353 -8.182 -1.016 20 HG LEU 5 HG LEU 5 1.075 -6.623 -2.249 21 HB3 LEU 5 2HB LEU 5 -0.110 -8.763 -1.514 22 HD11 LEU 5 1HD1 LEU 5 2.500 -6.847 -3.952 23 HD12 LEU 5 2HD1 LEU 5 1.786 -8.394 -4.468 24 HD13 LEU 5 3HD1 LEU 5 1.058 -6.857 -4.994 25 HD21 LEU 5 3HD2 LEU 5 -1.319 -6.808 -2.339 26 HD22 LEU 5 1HD2 LEU 5 -0.749 -6.020 -3.830 27 HD23 LEU 5 2HD2 LEU 5 -1.239 -7.732 -3.859 28 HA PRO 6 HA PRO 6 2.429 -12.339 0.910 29 HB3 PRO 6 2HB PRO 6 4.664 -12.890 0.853 30 HG3 PRO 6 2HG PRO 6 6.056 -11.192 0.147 31 HD3 PRO 6 2HD PRO 6 4.576 -9.936 -1.085 32 H GLU 7 H GLU 7 3.215 -12.587 3.573 33 HA GLU 7 HA GLU 7 1.111 -10.995 4.680 34 HB3 GLU 7 2HB GLU 7 1.447 -13.429 5.241 35 HG3 GLU 7 2HG GLU 7 3.820 -12.360 6.841 36 H GLY 8 H GLY 8 4.687 -11.390 5.051 37 HA2 GLY 8 1HA GLY 8 5.114 -9.629 7.145 38 HA3 GLY 8 2HA GLY 8 6.255 -10.007 5.871 39 H TRP 9 H TRP 9 5.684 -8.884 3.629 40 HA TRP 9 HA TRP 9 5.056 -6.089 4.277 41 HD1 TRP 9 HD1 TRP 9 7.256 -7.342 5.511 42 HE1 TRP 9 HE1 TRP 9 9.439 -6.309 6.572 43 HE3 TRP 9 HE3 TRP 9 8.449 -4.435 1.515 44 HZ2 TRP 9 HZ2 TRP 9 11.377 -4.432 5.640 45 HZ3 TRP 9 HZ3 TRP 9 10.504 -3.032 1.672 46 HH2 TRP 9 HH2 TRP 9 11.946 -3.000 3.644 47 HB3 TRP 9 2HB TRP 9 6.372 -5.618 2.174 48 H GLU 10 H GLU 10 3.890 -4.887 2.507 49 HA GLU 10 HA GLU 10 2.438 -6.635 0.721 50 HB3 GLU 10 2HB GLU 10 0.856 -4.571 2.257 51 HG3 GLU 10 2HG GLU 10 -0.262 -7.247 1.674 52 H ILE 11 H ILE 11 2.543 -5.767 -1.303 53 HA ILE 11 HA ILE 11 2.762 -2.841 -1.468 54 HB ILE 11 HB ILE 11 4.179 -4.969 -3.069 55 HG13 ILE 11 2HG1 ILE 11 4.896 -3.763 -0.693 56 HG21 ILE 11 1HG2 ILE 11 3.434 -2.227 -3.797 57 HG22 ILE 11 2HG2 ILE 11 5.176 -2.562 -3.938 58 HG23 ILE 11 3HG2 ILE 11 4.001 -3.576 -4.809 59 HD11 ILE 11 3HD1 ILE 11 5.982 -5.757 -1.484 60 HD12 ILE 11 1HD1 ILE 11 6.539 -4.947 -2.967 61 HD13 ILE 11 2HD1 ILE 11 7.250 -4.512 -1.394 62 H ARG 12 H ARG 12 1.087 -1.893 -2.489 63 HA ARG 12 HA ARG 12 -0.427 -3.618 -4.282 64 HE ARG 12 HE ARG 12 -3.245 -5.660 -1.602 65 HB3 ARG 12 2HB ARG 12 -2.313 -1.837 -3.705 66 HG3 ARG 12 2HG ARG 12 -2.600 -3.144 -1.382 67 HD3 ARG 12 2HD ARG 12 -2.624 -4.611 -4.065 68 HH11 ARG 12 2HH2 ARG 12 -5.227 -4.748 -4.363 69 HH12 ARG 12 1HH2 ARG 12 -6.451 -5.929 -4.037 70 HH21 ARG 12 2HH1 ARG 12 -4.861 -7.217 -1.170 71 HH22 ARG 12 1HH1 ARG 12 -6.242 -7.342 -2.208 72 H TYR 13 H TYR 13 -0.776 -2.861 -6.389 73 HA TYR 13 HA TYR 13 0.232 -0.152 -6.940 74 HD1 TYR 13 HD1 TYR 13 0.969 -4.049 -6.801 75 HD2 TYR 13 HD2 TYR 13 -0.879 -2.732 -10.428 76 HE1 TYR 13 HE1 TYR 13 0.140 -6.411 -7.245 77 HE2 TYR 13 HE2 TYR 13 -1.701 -5.099 -10.860 78 HH TYR 13 HH TYR 13 -0.655 -7.558 -9.965 79 HB3 TYR 13 2HB TYR 13 1.621 -1.877 -7.982 80 H THR 14 H THR 14 -0.915 1.156 -8.456 81 HA THR 14 HA THR 14 -3.486 0.105 -9.369 82 HB THR 14 HB THR 14 -3.024 2.508 -7.539 83 HG1 THR 14 HG1 THR 14 -4.563 1.236 -6.326 84 HG21 THR 14 3HG2 THR 14 -4.588 3.343 -9.207 85 HG22 THR 14 1HG2 THR 14 -5.430 1.776 -9.280 86 HG23 THR 14 2HG2 THR 14 -5.566 2.793 -7.825 87 H ARG 15 H ARG 15 -2.643 3.540 -9.315 88 HA ARG 15 HA ARG 15 -3.026 3.777 -12.017 89 HE ARG 15 HE ARG 15 -1.180 7.374 -12.330 90 HB3 ARG 15 2HB ARG 15 -1.211 5.847 -11.127 91 HG3 ARG 15 2HG ARG 15 -3.422 7.165 -11.050 92 HD3 ARG 15 2HD ARG 15 -3.775 7.024 -13.499 93 HH11 ARG 15 2HH2 ARG 15 -2.692 6.832 -15.461 94 HH12 ARG 15 1HH2 ARG 15 -1.430 7.616 -16.349 95 HH21 ARG 15 2HH1 ARG 15 0.487 8.407 -13.503 96 HH22 ARG 15 1HH1 ARG 15 0.392 8.517 -15.228 97 H GLU 16 H GLU 16 -1.041 5.074 -13.329 98 HA GLU 16 HA GLU 16 0.543 3.320 -14.400 99 HB3 GLU 16 2HB GLU 16 1.317 6.166 -13.636 100 HG3 GLU 16 2HG GLU 16 2.562 4.279 -15.693 101 H GLY 17 H GLY 17 1.689 5.280 -11.550 102 HA2 GLY 17 1HA GLY 17 3.132 2.929 -10.574 103 HA3 GLY 17 2HA GLY 17 4.077 4.348 -10.979 104 H VAL 18 H VAL 18 0.748 4.174 -9.564 105 HA VAL 18 HA VAL 18 1.647 5.947 -7.452 106 HB VAL 18 HB VAL 18 -0.562 5.938 -8.963 107 HG11 VAL 18 1HG1 VAL 18 -1.500 4.568 -6.425 108 HG12 VAL 18 2HG1 VAL 18 -2.470 5.028 -7.846 109 HG13 VAL 18 3HG1 VAL 18 -1.265 3.723 -7.976 110 HG21 VAL 18 3HG2 VAL 18 -0.963 7.789 -7.775 111 HG22 VAL 18 1HG2 VAL 18 -1.301 6.847 -6.302 112 HG23 VAL 18 2HG2 VAL 18 0.372 7.303 -6.701 113 H ARG 19 H ARG 19 1.645 2.643 -8.025 114 HA ARG 19 HA ARG 19 0.513 1.367 -6.036 115 HE ARG 19 HE ARG 19 4.118 2.568 -8.944 116 HB3 ARG 19 2HB ARG 19 2.346 0.630 -7.823 117 HG3 ARG 19 2HG ARG 19 4.490 0.009 -6.698 118 HD3 ARG 19 2HD ARG 19 5.343 2.428 -6.341 119 HH11 ARG 19 2HH2 ARG 19 6.324 0.583 -7.053 120 HH12 ARG 19 1HH2 ARG 19 7.168 -0.024 -8.438 121 HH21 ARG 19 2HH1 ARG 19 5.232 1.768 -10.772 122 HH22 ARG 19 1HH1 ARG 19 6.543 0.653 -10.567 123 H TYR 20 H TYR 20 1.319 0.560 -3.855 124 HA TYR 20 HA TYR 20 3.209 2.369 -2.563 125 HD1 TYR 20 HD2 TYR 20 1.460 0.545 0.263 126 HD2 TYR 20 HD1 TYR 20 -1.396 2.027 -2.556 127 HE1 TYR 20 HE2 TYR 20 -0.267 -1.105 1.134 128 HE2 TYR 20 HE1 TYR 20 -3.113 0.373 -1.675 129 HH TYR 20 HH TYR 20 -2.407 -1.633 1.138 130 HB3 TYR 20 2HB TYR 20 0.674 3.073 -2.399 131 H PHE 21 H PHE 21 3.853 1.550 -0.362 132 HA PHE 21 HA PHE 21 3.480 -1.357 -0.198 133 HD1 PHE 21 HD1 PHE 21 4.496 -1.219 -2.449 134 HD2 PHE 21 HD2 PHE 21 7.587 1.074 -0.661 135 HE1 PHE 21 HE1 PHE 21 5.280 -0.501 -4.723 136 HE2 PHE 21 HE2 PHE 21 8.370 1.792 -2.934 137 HZ PHE 21 HZ PHE 21 7.207 0.997 -4.938 138 HB3 PHE 21 2HB PHE 21 5.844 -1.575 0.130 139 H VAL 22 H VAL 22 3.315 -2.238 1.903 140 HA VAL 22 HA VAL 22 3.598 -0.406 4.139 141 HB VAL 22 HB VAL 22 1.021 -1.849 3.482 142 HG11 VAL 22 1HG1 VAL 22 0.798 0.053 5.628 143 HG12 VAL 22 2HG1 VAL 22 0.459 -1.695 5.633 144 HG13 VAL 22 3HG1 VAL 22 2.098 -1.105 5.998 145 HG21 VAL 22 3HG2 VAL 22 1.016 0.049 2.117 146 HG22 VAL 22 1HG2 VAL 22 0.158 0.595 3.578 147 HG23 VAL 22 2HG2 VAL 22 1.862 1.044 3.327 148 H ASP 23 H ASP 23 5.094 -1.517 5.302 149 HA ASP 23 HA ASP 23 5.184 -4.339 5.170 150 HB3 ASP 23 2HB ASP 23 6.577 -2.437 7.113 151 H HIS 24 H HIS 24 4.919 -5.786 7.102 152 HA HIS 24 HA HIS 24 2.596 -5.605 8.392 153 HD1 HIS 24 HD1 HIS 24 1.451 -7.769 9.111 154 HD2 HIS 24 HD2 HIS 24 4.396 -7.622 12.094 155 HE1 HIS 24 HE1 HIS 24 0.396 -8.773 11.206 156 HE2 HIS 24 HE2 HIS 24 2.270 -8.706 12.990 157 HB3 HIS 24 2HB HIS 24 5.120 -6.737 9.626 158 H ASN 25 H ASN 25 5.533 -3.771 9.095 159 HA ASN 25 HA ASN 25 4.053 -2.510 11.266 160 HB3 ASN 25 2HB ASN 25 6.775 -2.037 11.811 161 HD21 ASN 25 1HD2 ASN 25 7.425 -4.200 13.414 162 HD22 ASN 25 2HD2 ASN 25 6.250 -4.388 14.673 163 H THR 26 H THR 26 4.765 -0.157 11.590 164 HA THR 26 HA THR 26 4.799 1.248 9.199 165 HB THR 26 HB THR 26 4.023 2.146 11.382 166 HG1 THR 26 HG1 THR 26 4.704 3.809 10.008 167 HG21 THR 26 3HG2 THR 26 6.415 3.070 12.560 168 HG22 THR 26 1HG2 THR 26 5.348 1.807 13.222 169 HG23 THR 26 2HG2 THR 26 6.740 1.355 12.210 170 H ARG 27 H ARG 27 7.192 -0.776 10.185 171 HA ARG 27 HA ARG 27 9.487 0.668 10.032 172 HE ARG 27 HE ARG 27 10.531 -4.770 11.479 173 HB3 ARG 27 2HB ARG 27 10.362 -1.611 8.926 174 HG3 ARG 27 2HG ARG 27 9.568 -0.849 11.651 175 HD3 ARG 27 2HD ARG 27 8.728 -3.466 10.802 176 HH11 ARG 27 2HH2 ARG 27 10.521 -1.820 13.398 177 HH12 ARG 27 1HH2 ARG 27 11.898 -2.278 14.343 178 HH21 ARG 27 2HH1 ARG 27 12.350 -5.374 12.726 179 HH22 ARG 27 1HH1 ARG 27 12.946 -4.313 13.958 180 H THR 28 H THR 28 7.446 -0.721 7.395 181 HA THR 28 HA THR 28 8.789 1.080 5.521 182 HB THR 28 HB THR 28 8.927 -1.891 5.588 183 HG1 THR 28 HG1 THR 28 10.807 -0.559 5.480 184 HG21 THR 28 3HG2 THR 28 9.104 -1.648 2.918 185 HG22 THR 28 1HG2 THR 28 7.552 -2.060 3.687 186 HG23 THR 28 2HG2 THR 28 7.878 -0.385 3.183 187 H THR 29 H THR 29 7.108 2.455 5.208 188 HA THR 29 HA THR 29 4.707 1.225 4.054 189 HB THR 29 HB THR 29 4.875 3.260 6.332 190 HG1 THR 29 HG1 THR 29 3.859 1.496 7.381 191 HG21 THR 29 3HG2 THR 29 2.282 2.210 5.172 192 HG22 THR 29 1HG2 THR 29 2.566 3.686 6.125 193 HG23 THR 29 2HG2 THR 29 3.043 3.628 4.410 194 H THR 30 H THR 30 4.854 1.819 1.969 195 HA THR 30 HA THR 30 5.813 4.514 1.381 196 HB THR 30 HB THR 30 5.633 1.861 -0.000 197 HG1 THR 30 HG1 THR 30 7.271 4.281 -0.264 198 HG21 THR 30 3HG2 THR 30 5.591 2.752 -2.221 199 HG22 THR 30 1HG2 THR 30 4.232 3.570 -1.416 200 HG23 THR 30 2HG2 THR 30 5.777 4.425 -1.641 201 H PHE 31 H PHE 31 4.534 6.184 0.880 202 HA PHE 31 HA PHE 31 1.723 5.525 0.346 203 HD1 PHE 31 HD1 PHE 31 -0.076 8.222 0.625 204 HD2 PHE 31 HD2 PHE 31 1.567 6.079 3.898 205 HE1 PHE 31 HE1 PHE 31 -2.358 8.046 1.657 206 HE2 PHE 31 HE2 PHE 31 -0.715 5.903 4.929 207 HZ PHE 31 HZ PHE 31 -2.650 6.889 3.797 208 HB3 PHE 31 2HB PHE 31 2.401 8.282 1.207 209 H LYS 32 H LYS 32 1.077 5.952 -1.706 210 HA LYS 32 HA LYS 32 2.614 7.973 -3.177 211 HB3 LYS 32 2HB LYS 32 1.012 6.416 -4.934 212 HG3 LYS 32 2HG LYS 32 3.236 7.454 -5.419 213 HD3 LYS 32 2HD LYS 32 4.965 5.388 -4.454 214 HE3 LYS 32 2HE LYS 32 4.839 8.087 -3.120 215 HZ1 LYS 32 3HZ LYS 32 7.127 7.044 -4.532 216 HZ2 LYS 32 1HZ LYS 32 7.051 7.801 -3.086 217 HZ3 LYS 32 2HZ LYS 32 6.666 6.218 -3.201 218 H ASP 33 H ASP 33 1.270 9.206 -4.855 219 HA ASP 33 HA ASP 33 -0.534 10.751 -3.635 220 HB3 ASP 33 2HB ASP 33 -1.103 11.594 -5.788 221 HA PRO 34 HA PRO 34 -4.300 8.505 -3.569 222 HB3 PRO 34 2HB PRO 34 -5.389 10.140 -2.369 223 HG3 PRO 34 2HG PRO 34 -4.509 12.258 -2.609 224 HD3 PRO 34 2HD PRO 34 -2.354 11.738 -3.217 225 H ARG 35 H ARG 35 -3.021 9.445 -6.320 226 HA ARG 35 HA ARG 35 -5.025 9.517 -8.129 227 HE ARG 35 HE ARG 35 -4.897 11.694 -9.663 228 HB3 ARG 35 2HB ARG 35 -2.746 7.860 -9.037 229 HG3 ARG 35 2HG ARG 35 -4.417 9.719 -10.172 230 HD3 ARG 35 2HD ARG 35 -2.172 11.403 -10.622 231 HH11 ARG 35 2HH2 ARG 35 -1.829 13.390 -9.971 232 HH12 ARG 35 1HH2 ARG 35 -2.554 14.964 -9.981 233 HH21 ARG 35 2HH1 ARG 35 -5.854 13.770 -9.676 234 HH22 ARG 35 1HH1 ARG 35 -4.859 15.181 -9.812 235 H ASN 36 H ASN 36 -3.947 6.839 -6.143 236 HA ASN 36 HA ASN 36 -4.720 4.746 -7.798 237 HB3 ASN 36 2HB ASN 36 -3.368 4.120 -5.949 238 HD21 ASN 36 1HD2 ASN 36 -2.319 5.463 -4.673 239 HD22 ASN 36 2HD2 ASN 36 -2.962 6.305 -3.303 240 H GLY 37 H GLY 37 -6.521 7.221 -6.284 241 HA2 GLY 37 1HA GLY 37 -8.860 5.668 -5.591 242 HA3 GLY 37 2HA GLY 37 -8.666 7.408 -5.523 243 H LYS 38 H LYS 38 -7.943 5.342 -8.380 244 HA LYS 38 HA LYS 38 -8.949 6.838 -10.307 245 HB3 LYS 38 2HB LYS 38 -7.889 4.774 -10.824 246 HG3 LYS 38 2HG LYS 38 -10.333 3.313 -9.728 247 HD3 LYS 38 2HD LYS 38 -7.909 2.561 -11.236 248 HE3 LYS 38 2HE LYS 38 -7.535 1.942 -8.643 249 HZ1 LYS 38 3HZ LYS 38 -8.539 -0.001 -8.041 250 HZ2 LYS 38 1HZ LYS 38 -9.771 0.732 -8.823 251 HZ3 LYS 38 2HZ LYS 38 -8.919 -0.446 -9.566 252 H SER 39 H SER 39 -10.713 8.155 -10.072 253 HA SER 39 HA SER 39 -13.113 7.005 -8.990 254 HG SER 39 HG SER 39 -11.624 10.185 -10.350 255 HB3 SER 39 2HB SER 39 -12.302 9.318 -8.376 Start of MODEL 7 1 HA ASN 1 HA ASN 1 5.669 -4.137 -6.486 2 H1 ASN 1 HT1 ASN 1 4.401 -4.631 -8.561 3 HB3 ASN 1 2HB ASN 1 3.412 -4.920 -6.173 4 HD21 ASN 1 1HD2 ASN 1 2.373 -5.751 -7.909 5 HD22 ASN 1 2HD2 ASN 1 2.303 -7.435 -8.306 6 H GLU 2 H GLU 2 7.821 -4.586 -5.950 7 HA GLU 2 HA GLU 2 9.315 -6.634 -6.748 8 HB3 GLU 2 2HB GLU 2 10.290 -4.765 -5.567 9 HG3 GLU 2 2HG GLU 2 8.965 -5.828 -3.031 10 H GLU 3 H GLU 3 7.296 -6.565 -3.738 11 HA GLU 3 HA GLU 3 7.796 -9.421 -3.500 12 HB3 GLU 3 2HB GLU 3 6.401 -8.668 -1.217 13 HG3 GLU 3 2HG GLU 3 8.329 -9.987 -0.909 14 HA PRO 4 HA PRO 4 3.672 -10.287 -4.535 15 HB3 PRO 4 2HB PRO 4 4.079 -12.551 -4.652 16 HG3 PRO 4 2HG PRO 4 5.881 -13.271 -3.406 17 HD3 PRO 4 2HD PRO 4 7.096 -11.324 -3.282 18 H LEU 5 H LEU 5 3.766 -11.259 -1.138 19 HA LEU 5 HA LEU 5 2.456 -9.114 -0.096 20 HG LEU 5 HG LEU 5 -1.008 -8.957 -1.093 21 HB3 LEU 5 2HB LEU 5 0.201 -10.909 -0.244 22 HD11 LEU 5 1HD1 LEU 5 0.686 -7.835 1.101 23 HD12 LEU 5 2HD1 LEU 5 -1.083 -7.839 0.904 24 HD13 LEU 5 3HD1 LEU 5 -0.240 -9.326 1.401 25 HD21 LEU 5 3HD2 LEU 5 0.306 -6.752 -1.179 26 HD22 LEU 5 1HD2 LEU 5 1.753 -7.775 -1.343 27 HD23 LEU 5 2HD2 LEU 5 0.454 -7.870 -2.557 28 HA PRO 6 HA PRO 6 2.076 -12.925 2.654 29 HB3 PRO 6 2HB PRO 6 0.816 -14.675 1.845 30 HG3 PRO 6 2HG PRO 6 0.628 -14.745 -0.453 31 HD3 PRO 6 2HD PRO 6 1.001 -12.533 -0.960 32 H GLU 7 H GLU 7 4.233 -11.448 2.308 33 HA GLU 7 HA GLU 7 6.333 -13.450 2.628 34 HB3 GLU 7 2HB GLU 7 6.206 -11.034 0.943 35 HG3 GLU 7 2HG GLU 7 8.334 -11.325 3.048 36 H GLY 8 H GLY 8 5.743 -9.917 3.304 37 HA2 GLY 8 1HA GLY 8 5.892 -10.304 6.136 38 HA3 GLY 8 2HA GLY 8 7.378 -9.642 5.484 39 H TRP 9 H TRP 9 6.306 -8.087 3.304 40 HA TRP 9 HA TRP 9 4.870 -6.042 4.854 41 HD1 TRP 9 HD1 TRP 9 8.326 -5.616 1.349 42 HE1 TRP 9 HE1 TRP 9 10.592 -6.825 1.957 43 HE3 TRP 9 HE3 TRP 9 7.107 -6.607 6.184 44 HZ2 TRP 9 HZ2 TRP 9 11.596 -8.034 4.338 45 HZ3 TRP 9 HZ3 TRP 9 8.787 -7.806 7.583 46 HH2 TRP 9 HH2 TRP 9 10.967 -8.513 6.733 47 HB3 TRP 9 2HB TRP 9 6.349 -4.561 4.163 48 H GLU 10 H GLU 10 3.298 -4.727 3.533 49 HA GLU 10 HA GLU 10 2.066 -6.478 1.560 50 HB3 GLU 10 2HB GLU 10 0.685 -4.166 2.961 51 HG3 GLU 10 2HG GLU 10 -0.798 -6.648 2.453 52 H ILE 11 H ILE 11 2.123 -5.856 -0.559 53 HA ILE 11 HA ILE 11 2.566 -2.996 -1.070 54 HB ILE 11 HB ILE 11 3.697 -5.389 -2.521 55 HG13 ILE 11 2HG1 ILE 11 4.667 -4.428 -0.252 56 HG21 ILE 11 1HG2 ILE 11 3.115 -2.739 -3.486 57 HG22 ILE 11 2HG2 ILE 11 4.874 -3.011 -3.465 58 HG23 ILE 11 3HG2 ILE 11 3.811 -4.134 -4.345 59 HD11 ILE 11 3HD1 ILE 11 6.759 -5.333 -0.864 60 HD12 ILE 11 1HD1 ILE 11 5.641 -6.136 -1.993 61 HD13 ILE 11 2HD1 ILE 11 6.623 -4.757 -2.542 62 H ARG 12 H ARG 12 1.203 -2.003 -2.521 63 HA ARG 12 HA ARG 12 -0.539 -3.763 -4.022 64 HE ARG 12 HE ARG 12 -4.944 -4.310 -4.126 65 HB3 ARG 12 2HB ARG 12 -1.679 -1.281 -2.692 66 HG3 ARG 12 2HG ARG 12 -3.078 -2.356 -4.392 67 HD3 ARG 12 2HD ARG 12 -2.345 -4.872 -2.857 68 HH11 ARG 12 2HH2 ARG 12 -2.648 -6.784 -3.130 69 HH12 ARG 12 1HH2 ARG 12 -3.831 -8.049 -3.094 70 HH21 ARG 12 2HH1 ARG 12 -6.505 -5.979 -4.080 71 HH22 ARG 12 1HH1 ARG 12 -6.040 -7.588 -3.637 72 H TYR 13 H TYR 13 -0.572 -3.127 -6.163 73 HA TYR 13 HA TYR 13 0.479 -0.468 -6.769 74 HD1 TYR 13 HD1 TYR 13 2.037 -2.391 -5.934 75 HD2 TYR 13 HD2 TYR 13 2.324 -2.134 -10.195 76 HE1 TYR 13 HE1 TYR 13 4.572 -2.527 -5.779 77 HE2 TYR 13 HE2 TYR 13 4.856 -2.271 -10.027 78 HH TYR 13 HH TYR 13 6.498 -1.802 -7.153 79 HB3 TYR 13 2HB TYR 13 0.241 -1.774 -9.148 80 H THR 14 H THR 14 -0.588 0.941 -8.286 81 HA THR 14 HA THR 14 -3.359 0.248 -8.915 82 HB THR 14 HB THR 14 -4.151 2.369 -7.949 83 HG1 THR 14 HG1 THR 14 -1.281 2.577 -7.368 84 HG21 THR 14 3HG2 THR 14 -4.089 1.735 -5.727 85 HG22 THR 14 1HG2 THR 14 -3.285 0.277 -6.358 86 HG23 THR 14 2HG2 THR 14 -2.313 1.624 -5.718 87 H ARG 15 H ARG 15 -2.323 3.563 -9.165 88 HA ARG 15 HA ARG 15 -2.731 3.554 -11.891 89 HE ARG 15 HE ARG 15 -3.704 8.391 -12.517 90 HB3 ARG 15 2HB ARG 15 -0.920 5.696 -10.971 91 HG3 ARG 15 2HG ARG 15 -3.617 6.589 -11.298 92 HD3 ARG 15 2HD ARG 15 -1.690 6.540 -13.615 93 HH11 ARG 15 2HH2 ARG 15 -1.027 7.973 -14.764 94 HH12 ARG 15 1HH2 ARG 15 -1.483 9.318 -15.755 95 HH21 ARG 15 2HH1 ARG 15 -4.306 10.165 -13.827 96 HH22 ARG 15 1HH1 ARG 15 -3.360 10.573 -15.218 97 H GLU 16 H GLU 16 -0.761 4.779 -13.294 98 HA GLU 16 HA GLU 16 0.867 2.988 -14.209 99 HB3 GLU 16 2HB GLU 16 0.948 5.146 -15.197 100 HG3 GLU 16 2HG GLU 16 2.379 6.413 -12.869 101 H GLY 17 H GLY 17 1.921 5.143 -11.466 102 HA2 GLY 17 1HA GLY 17 3.456 2.888 -10.381 103 HA3 GLY 17 2HA GLY 17 4.305 4.373 -10.767 104 H VAL 18 H VAL 18 0.935 4.025 -9.504 105 HA VAL 18 HA VAL 18 1.654 5.825 -7.345 106 HB VAL 18 HB VAL 18 -0.860 4.852 -8.636 107 HG11 VAL 18 1HG1 VAL 18 -0.757 6.128 -5.880 108 HG12 VAL 18 2HG1 VAL 18 -2.225 5.830 -6.841 109 HG13 VAL 18 3HG1 VAL 18 -1.258 4.460 -6.246 110 HG21 VAL 18 3HG2 VAL 18 0.630 7.097 -8.961 111 HG22 VAL 18 1HG2 VAL 18 -1.123 7.013 -9.266 112 HG23 VAL 18 2HG2 VAL 18 -0.518 7.652 -7.718 113 H ARG 19 H ARG 19 1.811 2.528 -7.925 114 HA ARG 19 HA ARG 19 0.625 1.180 -6.029 115 HE ARG 19 HE ARG 19 6.478 1.309 -7.091 116 HB3 ARG 19 2HB ARG 19 2.177 -0.006 -7.395 117 HG3 ARG 19 2HG ARG 19 3.676 2.070 -7.706 118 HD3 ARG 19 2HD ARG 19 4.663 1.008 -5.045 119 HH11 ARG 19 2HH2 ARG 19 5.793 3.210 -4.209 120 HH12 ARG 19 1HH2 ARG 19 7.418 3.787 -4.047 121 HH21 ARG 19 2HH1 ARG 19 8.622 2.071 -6.879 122 HH22 ARG 19 1HH1 ARG 19 9.038 3.134 -5.577 123 H TYR 20 H TYR 20 1.333 0.385 -3.799 124 HA TYR 20 HA TYR 20 3.055 2.217 -2.351 125 HD1 TYR 20 HD2 TYR 20 1.231 0.828 0.550 126 HD2 TYR 20 HD1 TYR 20 -1.561 1.685 -2.577 127 HE1 TYR 20 HE2 TYR 20 -0.454 -0.750 1.613 128 HE2 TYR 20 HE1 TYR 20 -3.238 0.104 -1.503 129 HH TYR 20 HH TYR 20 -2.433 -2.153 0.693 130 HB3 TYR 20 2HB TYR 20 0.442 2.869 -2.498 131 H PHE 21 H PHE 21 3.640 1.396 -0.201 132 HA PHE 21 HA PHE 21 3.004 -1.451 0.106 133 HD1 PHE 21 HD1 PHE 21 3.966 -1.533 -2.144 134 HD2 PHE 21 HD2 PHE 21 7.343 0.482 -0.550 135 HE1 PHE 21 HE1 PHE 21 4.778 -1.053 -4.470 136 HE2 PHE 21 HE2 PHE 21 8.155 0.962 -2.876 137 HZ PHE 21 HZ PHE 21 6.862 0.189 -4.809 138 HB3 PHE 21 2HB PHE 21 5.341 -1.882 0.442 139 H VAL 22 H VAL 22 2.934 -2.235 2.287 140 HA VAL 22 HA VAL 22 3.335 -0.280 4.391 141 HB VAL 22 HB VAL 22 0.678 -1.604 3.819 142 HG11 VAL 22 1HG1 VAL 22 0.494 0.263 5.960 143 HG12 VAL 22 2HG1 VAL 22 0.217 -1.496 5.996 144 HG13 VAL 22 3HG1 VAL 22 1.840 -0.843 6.327 145 HG21 VAL 22 3HG2 VAL 22 -0.136 0.770 3.783 146 HG22 VAL 22 1HG2 VAL 22 1.563 1.298 3.838 147 HG23 VAL 22 2HG2 VAL 22 0.970 0.351 2.452 148 H ASP 23 H ASP 23 4.836 -1.400 5.549 149 HA ASP 23 HA ASP 23 4.798 -4.216 5.599 150 HB3 ASP 23 2HB ASP 23 6.277 -2.444 7.577 151 H HIS 24 H HIS 24 4.543 -5.535 7.636 152 HA HIS 24 HA HIS 24 2.237 -5.213 8.934 153 HD1 HIS 24 HD1 HIS 24 3.984 -7.485 12.427 154 HD2 HIS 24 HD2 HIS 24 0.821 -7.125 9.695 155 HE1 HIS 24 HE1 HIS 24 1.933 -8.481 13.573 156 HE2 HIS 24 HE2 HIS 24 0.009 -8.182 11.867 157 HB3 HIS 24 2HB HIS 24 4.677 -6.296 10.349 158 H ASN 25 H ASN 25 5.225 -3.411 9.483 159 HA ASN 25 HA ASN 25 3.807 -1.981 11.589 160 HB3 ASN 25 2HB ASN 25 6.178 -1.499 12.524 161 HD21 ASN 25 1HD2 ASN 25 7.300 -3.233 13.908 162 HD22 ASN 25 2HD2 ASN 25 6.274 -4.425 14.634 163 H THR 26 H THR 26 4.550 0.372 11.743 164 HA THR 26 HA THR 26 4.607 1.610 9.260 165 HB THR 26 HB THR 26 3.867 2.596 11.467 166 HG1 THR 26 HG1 THR 26 4.331 4.145 9.879 167 HG21 THR 26 3HG2 THR 26 5.531 2.108 13.091 168 HG22 THR 26 1HG2 THR 26 6.863 2.438 11.958 169 HG23 THR 26 2HG2 THR 26 5.924 3.785 12.644 170 H ARG 27 H ARG 27 6.970 -0.373 10.396 171 HA ARG 27 HA ARG 27 9.282 1.033 10.143 172 HE ARG 27 HE ARG 27 10.271 -4.423 7.949 173 HB3 ARG 27 2HB ARG 27 9.132 -1.332 10.919 174 HG3 ARG 27 2HG ARG 27 8.804 -2.014 7.960 175 HD3 ARG 27 2HD ARG 27 8.220 -4.297 9.126 176 HH11 ARG 27 2HH2 ARG 27 10.690 -2.703 10.990 177 HH12 ARG 27 1HH2 ARG 27 12.420 -2.745 10.923 178 HH21 ARG 27 2HH1 ARG 27 12.554 -4.480 7.860 179 HH22 ARG 27 1HH1 ARG 27 13.487 -3.762 9.131 180 H THR 28 H THR 28 7.221 -0.523 7.620 181 HA THR 28 HA THR 28 8.601 1.094 5.612 182 HB THR 28 HB THR 28 8.660 -1.868 5.908 183 HG1 THR 28 HG1 THR 28 10.618 -1.357 4.805 184 HG21 THR 28 3HG2 THR 28 7.708 -0.506 3.374 185 HG22 THR 28 1HG2 THR 28 8.866 -1.850 3.241 186 HG23 THR 28 2HG2 THR 28 7.282 -2.113 4.009 187 H THR 29 H THR 29 6.944 2.479 5.206 188 HA THR 29 HA THR 29 4.530 1.221 4.120 189 HB THR 29 HB THR 29 3.716 1.785 6.269 190 HG1 THR 29 HG1 THR 29 2.815 3.060 4.317 191 HG21 THR 29 3HG2 THR 29 5.847 2.980 7.022 192 HG22 THR 29 1HG2 THR 29 5.282 4.413 6.130 193 HG23 THR 29 2HG2 THR 29 4.345 3.800 7.514 194 H THR 30 H THR 30 4.729 1.692 2.005 195 HA THR 30 HA THR 30 5.687 4.360 1.290 196 HB THR 30 HB THR 30 5.497 1.641 -0.000 197 HG1 THR 30 HG1 THR 30 7.435 2.709 0.981 198 HG21 THR 30 3HG2 THR 30 5.656 2.483 -2.224 199 HG22 THR 30 1HG2 THR 30 4.335 3.454 -1.531 200 HG23 THR 30 2HG2 THR 30 5.970 4.144 -1.666 201 H PHE 31 H PHE 31 4.368 5.987 0.787 202 HA PHE 31 HA PHE 31 1.622 5.245 0.054 203 HD1 PHE 31 HD1 PHE 31 4.386 6.866 2.634 204 HD2 PHE 31 HD2 PHE 31 1.752 9.529 0.639 205 HE1 PHE 31 HE1 PHE 31 6.009 8.744 2.998 206 HE2 PHE 31 HE2 PHE 31 3.376 11.407 1.004 207 HZ PHE 31 HZ PHE 31 5.485 10.993 2.178 208 HB3 PHE 31 2HB PHE 31 1.926 6.360 2.308 209 H LYS 32 H LYS 32 1.092 5.756 -2.012 210 HA LYS 32 HA LYS 32 2.660 7.886 -3.283 211 HB3 LYS 32 2HB LYS 32 1.206 6.302 -5.176 212 HG3 LYS 32 2HG LYS 32 3.633 7.577 -5.013 213 HD3 LYS 32 2HD LYS 32 4.629 4.819 -5.424 214 HE3 LYS 32 2HE LYS 32 5.674 7.387 -4.896 215 HZ1 LYS 32 3HZ LYS 32 5.337 6.048 -2.502 216 HZ2 LYS 32 1HZ LYS 32 6.935 6.013 -2.839 217 HZ3 LYS 32 2HZ LYS 32 6.147 7.441 -2.764 218 H ASP 33 H ASP 33 1.400 9.157 -4.989 219 HA ASP 33 HA ASP 33 -0.546 10.577 -3.839 220 HB3 ASP 33 2HB ASP 33 -1.341 10.832 -6.412 221 HA PRO 34 HA PRO 34 -4.114 8.030 -4.040 222 HB3 PRO 34 2HB PRO 34 -5.176 9.247 -2.398 223 HG3 PRO 34 2HG PRO 34 -4.378 11.393 -2.123 224 HD3 PRO 34 2HD PRO 34 -2.250 11.148 -2.959 225 H ARG 35 H ARG 35 -2.986 8.296 -6.495 226 HA ARG 35 HA ARG 35 -4.835 9.415 -8.273 227 HE ARG 35 HE ARG 35 -0.868 10.216 -10.533 228 HB3 ARG 35 2HB ARG 35 -3.095 7.263 -9.355 229 HG3 ARG 35 2HG ARG 35 -4.192 9.269 -10.585 230 HD3 ARG 35 2HD ARG 35 -2.919 10.777 -8.649 231 HH11 ARG 35 2HH2 ARG 35 -2.400 13.023 -9.063 232 HH12 ARG 35 1HH2 ARG 35 -0.992 14.022 -9.198 233 HH21 ARG 35 2HH1 ARG 35 0.990 11.534 -10.712 234 HH22 ARG 35 1HH1 ARG 35 0.949 13.170 -10.142 235 H ASN 36 H ASN 36 -4.369 6.215 -6.782 236 HA ASN 36 HA ASN 36 -5.788 4.687 -8.564 237 HB3 ASN 36 2HB ASN 36 -4.436 3.821 -6.617 238 HD21 ASN 36 1HD2 ASN 36 -7.369 3.218 -5.046 239 HD22 ASN 36 2HD2 ASN 36 -7.135 4.158 -3.609 240 H GLY 37 H GLY 37 -6.797 7.276 -6.512 241 HA2 GLY 37 1HA GLY 37 -9.478 6.338 -5.994 242 HA3 GLY 37 2HA GLY 37 -8.799 7.912 -5.628 243 H LYS 38 H LYS 38 -8.790 6.236 -8.825 244 HA LYS 38 HA LYS 38 -9.285 8.270 -10.432 245 HB3 LYS 38 2HB LYS 38 -8.966 6.113 -11.350 246 HG3 LYS 38 2HG LYS 38 -11.711 5.197 -10.456 247 HD3 LYS 38 2HD LYS 38 -9.284 4.047 -11.721 248 HE3 LYS 38 2HE LYS 38 -9.436 3.115 -9.242 249 HZ1 LYS 38 3HZ LYS 38 -11.845 2.199 -10.480 250 HZ2 LYS 38 1HZ LYS 38 -10.974 1.013 -9.770 251 HZ3 LYS 38 2HZ LYS 38 -11.462 2.304 -8.896 252 H SER 39 H SER 39 -10.914 9.673 -11.039 253 HA SER 39 HA SER 39 -13.105 9.784 -9.200 254 HG SER 39 HG SER 39 -14.576 11.800 -10.890 255 HB3 SER 39 2HB SER 39 -12.294 11.610 -11.505 Start of MODEL 8 1 HA ASN 1 HA ASN 1 5.651 -3.626 -6.152 2 H1 ASN 1 HT1 ASN 1 4.387 -3.488 -8.348 3 HB3 ASN 1 2HB ASN 1 3.344 -4.521 -6.425 4 HD21 ASN 1 1HD2 ASN 1 2.689 -5.115 -8.449 5 HD22 ASN 1 2HD2 ASN 1 2.825 -6.721 -9.083 6 H GLU 2 H GLU 2 7.467 -4.621 -5.212 7 HA GLU 2 HA GLU 2 8.966 -6.374 -6.885 8 HB3 GLU 2 2HB GLU 2 10.064 -4.582 -5.570 9 HG3 GLU 2 2HG GLU 2 9.422 -6.257 -3.105 10 H GLU 3 H GLU 3 7.429 -6.537 -3.600 11 HA GLU 3 HA GLU 3 7.874 -9.391 -3.623 12 HB3 GLU 3 2HB GLU 3 6.476 -8.705 -1.274 13 HG3 GLU 3 2HG GLU 3 8.313 -10.204 -1.119 14 HA PRO 4 HA PRO 4 3.763 -10.184 -4.783 15 HB3 PRO 4 2HB PRO 4 4.312 -12.285 -5.548 16 HG3 PRO 4 2HG PRO 4 6.263 -13.150 -4.671 17 HD3 PRO 4 2HD PRO 4 7.346 -11.207 -4.094 18 H LEU 5 H LEU 5 3.653 -8.566 -2.720 19 HA LEU 5 HA LEU 5 2.694 -8.164 -0.731 20 HG LEU 5 HG LEU 5 -0.283 -8.080 -3.394 21 HB3 LEU 5 2HB LEU 5 0.581 -7.748 -1.220 22 HD11 LEU 5 1HD1 LEU 5 2.236 -7.040 -2.982 23 HD12 LEU 5 2HD1 LEU 5 2.481 -8.149 -4.353 24 HD13 LEU 5 3HD1 LEU 5 1.255 -6.862 -4.457 25 HD21 LEU 5 3HD2 LEU 5 -0.182 -9.985 -4.531 26 HD22 LEU 5 1HD2 LEU 5 1.599 -9.973 -4.527 27 HD23 LEU 5 2HD2 LEU 5 0.710 -10.680 -3.157 28 HA PRO 6 HA PRO 6 3.142 -12.439 0.874 29 HB3 PRO 6 2HB PRO 6 5.325 -12.966 0.368 30 HG3 PRO 6 2HG PRO 6 6.567 -11.215 -0.476 31 HD3 PRO 6 2HD PRO 6 4.887 -9.898 -1.331 32 H GLU 7 H GLU 7 4.440 -12.823 3.325 33 HA GLU 7 HA GLU 7 2.550 -11.391 4.910 34 HB3 GLU 7 2HB GLU 7 3.239 -13.848 5.209 35 HG3 GLU 7 2HG GLU 7 5.609 -12.517 6.604 36 H GLY 8 H GLY 8 6.147 -11.583 4.570 37 HA2 GLY 8 1HA GLY 8 7.012 -9.989 6.584 38 HA3 GLY 8 2HA GLY 8 7.724 -10.021 4.984 39 H TRP 9 H TRP 9 6.288 -8.721 3.248 40 HA TRP 9 HA TRP 9 5.324 -6.265 4.534 41 HD1 TRP 9 HD1 TRP 9 7.372 -8.381 1.611 42 HE1 TRP 9 HE1 TRP 9 9.880 -9.197 1.518 43 HE3 TRP 9 HE3 TRP 9 9.270 -4.556 4.372 44 HZ2 TRP 9 HZ2 TRP 9 12.321 -8.175 2.585 45 HZ3 TRP 9 HZ3 TRP 9 11.726 -4.540 4.800 46 HH2 TRP 9 HH2 TRP 9 13.237 -6.267 3.957 47 HB3 TRP 9 2HB TRP 9 7.075 -5.144 3.801 48 H GLU 10 H GLU 10 3.863 -5.018 3.031 49 HA GLU 10 HA GLU 10 2.680 -6.819 1.063 50 HB3 GLU 10 2HB GLU 10 0.892 -4.831 2.396 51 HG3 GLU 10 2HG GLU 10 0.430 -6.844 0.667 52 H ILE 11 H ILE 11 2.546 -5.971 -0.980 53 HA ILE 11 HA ILE 11 2.750 -3.047 -1.193 54 HB ILE 11 HB ILE 11 4.097 -5.194 -2.824 55 HG13 ILE 11 2HG1 ILE 11 4.909 -3.660 -0.582 56 HG21 ILE 11 1HG2 ILE 11 3.615 -3.839 -4.571 57 HG22 ILE 11 2HG2 ILE 11 3.364 -2.408 -3.545 58 HG23 ILE 11 3HG2 ILE 11 5.015 -2.937 -3.946 59 HD11 ILE 11 3HD1 ILE 11 5.597 -6.010 -1.541 60 HD12 ILE 11 1HD1 ILE 11 6.800 -5.084 -2.471 61 HD13 ILE 11 2HD1 ILE 11 6.820 -5.035 -0.693 62 H ARG 12 H ARG 12 1.050 -2.101 -2.186 63 HA ARG 12 HA ARG 12 -0.592 -3.876 -3.810 64 HE ARG 12 HE ARG 12 -1.691 -6.046 0.140 65 HB3 ARG 12 2HB ARG 12 -2.404 -2.012 -3.196 66 HG3 ARG 12 2HG ARG 12 -2.663 -4.326 -2.465 67 HD3 ARG 12 2HD ARG 12 -0.341 -3.614 -0.657 68 HH11 ARG 12 2HH2 ARG 12 -1.763 -2.555 0.579 69 HH12 ARG 12 1HH2 ARG 12 -2.511 -2.638 2.139 70 HH21 ARG 12 2HH1 ARG 12 -2.676 -6.156 2.199 71 HH22 ARG 12 1HH1 ARG 12 -3.033 -4.700 3.067 72 H TYR 13 H TYR 13 -1.267 -3.105 -5.872 73 HA TYR 13 HA TYR 13 -0.072 -0.532 -6.649 74 HD1 TYR 13 HD1 TYR 13 0.586 -4.376 -6.455 75 HD2 TYR 13 HD2 TYR 13 -2.049 -3.269 -9.638 76 HE1 TYR 13 HE1 TYR 13 -0.354 -6.738 -6.508 77 HE2 TYR 13 HE2 TYR 13 -2.981 -5.635 -9.679 78 HH TYR 13 HH TYR 13 -1.464 -8.192 -8.277 79 HB3 TYR 13 2HB TYR 13 0.967 -2.317 -7.898 80 H THR 14 H THR 14 -1.265 0.822 -8.128 81 HA THR 14 HA THR 14 -4.063 0.080 -8.536 82 HB THR 14 HB THR 14 -4.881 2.050 -7.440 83 HG1 THR 14 HG1 THR 14 -3.218 3.687 -6.813 84 HG21 THR 14 3HG2 THR 14 -4.199 1.808 -5.210 85 HG22 THR 14 1HG2 THR 14 -3.580 0.277 -5.874 86 HG23 THR 14 2HG2 THR 14 -2.481 1.658 -5.648 87 H ARG 15 H ARG 15 -1.778 2.870 -8.984 88 HA ARG 15 HA ARG 15 -2.844 3.062 -11.664 89 HE ARG 15 HE ARG 15 -4.702 4.918 -12.912 90 HB3 ARG 15 2HB ARG 15 -0.800 5.018 -10.626 91 HG3 ARG 15 2HG ARG 15 -2.595 4.919 -12.782 92 HD3 ARG 15 2HD ARG 15 -3.655 7.321 -11.594 93 HH11 ARG 15 2HH2 ARG 15 -5.537 7.930 -11.297 94 HH12 ARG 15 1HH2 ARG 15 -7.103 8.039 -12.031 95 HH21 ARG 15 2HH1 ARG 15 -6.768 5.059 -13.880 96 HH22 ARG 15 1HH1 ARG 15 -7.807 6.394 -13.510 97 H GLU 16 H GLU 16 -0.875 4.055 -13.222 98 HA GLU 16 HA GLU 16 0.574 2.059 -14.088 99 HB3 GLU 16 2HB GLU 16 0.901 3.889 -15.429 100 HG3 GLU 16 2HG GLU 16 0.733 5.357 -12.835 101 H GLY 17 H GLY 17 1.729 4.332 -11.500 102 HA2 GLY 17 1HA GLY 17 3.334 2.160 -10.381 103 HA3 GLY 17 2HA GLY 17 4.191 3.589 -10.925 104 H VAL 18 H VAL 18 0.872 3.541 -9.528 105 HA VAL 18 HA VAL 18 1.796 5.397 -7.499 106 HB VAL 18 HB VAL 18 -0.847 4.536 -8.618 107 HG11 VAL 18 1HG1 VAL 18 -1.997 5.886 -6.888 108 HG12 VAL 18 2HG1 VAL 18 -1.196 4.448 -6.210 109 HG13 VAL 18 3HG1 VAL 18 -0.454 6.054 -6.017 110 HG21 VAL 18 3HG2 VAL 18 -1.002 6.672 -9.414 111 HG22 VAL 18 1HG2 VAL 18 -0.106 7.371 -8.043 112 HG23 VAL 18 2HG2 VAL 18 0.772 6.535 -9.347 113 H ARG 19 H ARG 19 1.561 2.052 -7.903 114 HA ARG 19 HA ARG 19 0.346 0.997 -5.828 115 HE ARG 19 HE ARG 19 4.047 0.862 -9.133 116 HB3 ARG 19 2HB ARG 19 2.023 -0.038 -7.585 117 HG3 ARG 19 2HG ARG 19 4.167 -0.759 -6.398 118 HD3 ARG 19 2HD ARG 19 5.175 1.696 -6.543 119 HH11 ARG 19 2HH2 ARG 19 6.541 0.302 -6.715 120 HH12 ARG 19 1HH2 ARG 19 7.607 -0.505 -7.817 121 HH21 ARG 19 2HH1 ARG 19 5.452 -0.202 -10.586 122 HH22 ARG 19 1HH1 ARG 19 6.983 -0.794 -10.034 123 H TYR 20 H TYR 20 1.017 0.329 -3.594 124 HA TYR 20 HA TYR 20 3.022 2.142 -2.439 125 HD1 TYR 20 HD1 TYR 20 0.790 4.364 -2.878 126 HD2 TYR 20 HD2 TYR 20 -1.291 0.719 -2.041 127 HE1 TYR 20 HE1 TYR 20 -1.152 5.130 -4.330 128 HE2 TYR 20 HE2 TYR 20 -3.225 1.497 -3.496 129 HH TYR 20 HH TYR 20 -3.450 4.734 -4.614 130 HB3 TYR 20 2HB TYR 20 1.385 2.878 -0.914 131 H PHE 21 H PHE 21 3.665 1.380 -0.154 132 HA PHE 21 HA PHE 21 3.545 -1.546 -0.022 133 HD1 PHE 21 HD1 PHE 21 4.562 -1.476 -2.265 134 HD2 PHE 21 HD2 PHE 21 7.405 1.205 -0.612 135 HE1 PHE 21 HE1 PHE 21 5.249 -0.780 -4.576 136 HE2 PHE 21 HE2 PHE 21 8.093 1.901 -2.923 137 HZ PHE 21 HZ PHE 21 7.007 0.900 -4.878 138 HB3 PHE 21 2HB PHE 21 5.929 -1.589 0.299 139 H VAL 22 H VAL 22 3.519 -2.443 2.087 140 HA VAL 22 HA VAL 22 3.698 -0.596 4.318 141 HB VAL 22 HB VAL 22 1.213 -2.192 3.664 142 HG11 VAL 22 1HG1 VAL 22 1.839 -2.227 6.091 143 HG12 VAL 22 2HG1 VAL 22 1.730 -0.450 6.095 144 HG13 VAL 22 3HG1 VAL 22 0.284 -1.430 5.751 145 HG21 VAL 22 3HG2 VAL 22 1.694 0.800 3.873 146 HG22 VAL 22 1HG2 VAL 22 1.333 -0.123 2.394 147 HG23 VAL 22 2HG2 VAL 22 0.103 0.027 3.673 148 H ASP 23 H ASP 23 5.258 -1.590 5.495 149 HA ASP 23 HA ASP 23 5.628 -4.374 5.317 150 HB3 ASP 23 2HB ASP 23 6.781 -2.878 7.637 151 H HIS 24 H HIS 24 5.593 -5.841 7.320 152 HA HIS 24 HA HIS 24 3.195 -6.072 8.458 153 HD1 HIS 24 HD1 HIS 24 2.197 -7.836 9.797 154 HD2 HIS 24 HD2 HIS 24 5.646 -7.808 12.184 155 HE1 HIS 24 HE1 HIS 24 1.517 -8.829 12.047 156 HE2 HIS 24 HE2 HIS 24 3.690 -8.837 13.453 157 HB3 HIS 24 2HB HIS 24 5.881 -6.731 9.696 158 H ASN 25 H ASN 25 5.714 -3.737 9.317 159 HA ASN 25 HA ASN 25 3.863 -2.701 11.313 160 HB3 ASN 25 2HB ASN 25 5.670 -2.176 12.807 161 HD21 ASN 25 1HD2 ASN 25 4.474 -4.082 13.489 162 HD22 ASN 25 2HD2 ASN 25 5.253 -5.629 13.509 163 H THR 26 H THR 26 4.129 -0.265 11.610 164 HA THR 26 HA THR 26 4.211 1.084 9.188 165 HB THR 26 HB THR 26 3.078 1.816 11.320 166 HG1 THR 26 HG1 THR 26 3.389 3.858 10.489 167 HG21 THR 26 3HG2 THR 26 4.939 1.348 12.934 168 HG22 THR 26 1HG2 THR 26 5.942 2.569 12.114 169 HG23 THR 26 2HG2 THR 26 4.466 3.063 12.978 170 H ARG 27 H ARG 27 6.774 -0.488 10.527 171 HA ARG 27 HA ARG 27 8.795 1.336 10.550 172 HE ARG 27 HE ARG 27 9.954 -3.134 11.822 173 HB3 ARG 27 2HB ARG 27 8.944 -1.088 11.246 174 HG3 ARG 27 2HG ARG 27 9.434 -1.676 8.301 175 HD3 ARG 27 2HD ARG 27 9.761 -3.841 8.984 176 HH11 ARG 27 2HH2 ARG 27 11.501 -2.873 8.673 177 HH12 ARG 27 1HH2 ARG 27 13.082 -2.605 9.328 178 HH21 ARG 27 2HH1 ARG 27 12.039 -2.781 12.689 179 HH22 ARG 27 1HH1 ARG 27 13.389 -2.553 11.629 180 H THR 28 H THR 28 7.293 -0.449 7.805 181 HA THR 28 HA THR 28 8.611 1.421 5.978 182 HB THR 28 HB THR 28 9.031 -1.520 6.210 183 HG1 THR 28 HG1 THR 28 10.249 0.648 4.656 184 HG21 THR 28 3HG2 THR 28 9.418 -1.633 3.676 185 HG22 THR 28 1HG2 THR 28 7.705 -1.644 4.162 186 HG23 THR 28 2HG2 THR 28 8.444 -0.149 3.538 187 H THR 29 H THR 29 6.841 2.589 5.417 188 HA THR 29 HA THR 29 4.734 1.069 4.067 189 HB THR 29 HB THR 29 3.819 1.444 6.289 190 HG1 THR 29 HG1 THR 29 3.090 3.703 4.570 191 HG21 THR 29 3HG2 THR 29 3.598 4.128 6.760 192 HG22 THR 29 1HG2 THR 29 4.900 3.137 7.461 193 HG23 THR 29 2HG2 THR 29 5.203 4.093 5.992 194 H THR 30 H THR 30 4.655 1.731 2.023 195 HA THR 30 HA THR 30 5.588 4.442 1.441 196 HB THR 30 HB THR 30 5.472 1.791 0.047 197 HG1 THR 30 HG1 THR 30 7.351 3.106 0.955 198 HG21 THR 30 3HG2 THR 30 5.490 2.726 -2.173 199 HG22 THR 30 1HG2 THR 30 4.057 3.437 -1.391 200 HG23 THR 30 2HG2 THR 30 5.551 4.392 -1.548 201 H PHE 31 H PHE 31 4.256 6.081 0.995 202 HA PHE 31 HA PHE 31 1.488 5.348 0.335 203 HD1 PHE 31 HD1 PHE 31 4.159 6.785 3.168 204 HD2 PHE 31 HD2 PHE 31 1.898 9.579 0.912 205 HE1 PHE 31 HE1 PHE 31 5.872 8.558 3.647 206 HE2 PHE 31 HE2 PHE 31 3.610 11.351 1.391 207 HZ PHE 31 HZ PHE 31 5.576 10.820 2.752 208 HB3 PHE 31 2HB PHE 31 1.786 6.373 2.603 209 H LYS 32 H LYS 32 0.928 5.896 -1.713 210 HA LYS 32 HA LYS 32 2.410 8.115 -2.935 211 HB3 LYS 32 2HB LYS 32 1.819 7.063 -5.092 212 HG3 LYS 32 2HG LYS 32 2.972 4.688 -3.872 213 HD3 LYS 32 2HD LYS 32 3.418 5.980 -6.146 214 HE3 LYS 32 2HE LYS 32 5.055 7.478 -4.097 215 HZ1 LYS 32 3HZ LYS 32 5.903 7.456 -6.868 216 HZ2 LYS 32 1HZ LYS 32 6.764 7.793 -5.522 217 HZ3 LYS 32 2HZ LYS 32 6.420 6.243 -5.904 218 H ASP 33 H ASP 33 1.104 9.437 -4.537 219 HA ASP 33 HA ASP 33 -0.921 10.684 -3.293 220 HB3 ASP 33 2HB ASP 33 -1.661 11.175 -5.834 221 HA PRO 34 HA PRO 34 -4.426 8.116 -3.888 222 HB3 PRO 34 2HB PRO 34 -5.686 9.325 -2.386 223 HG3 PRO 34 2HG PRO 34 -4.985 11.500 -2.072 224 HD3 PRO 34 2HD PRO 34 -2.777 11.309 -2.681 225 H ARG 35 H ARG 35 -3.133 8.162 -6.186 226 HA ARG 35 HA ARG 35 -4.678 9.312 -8.212 227 HE ARG 35 HE ARG 35 -0.440 11.077 -8.819 228 HB3 ARG 35 2HB ARG 35 -3.228 7.973 -9.740 229 HG3 ARG 35 2HG ARG 35 -1.098 8.884 -9.085 230 HD3 ARG 35 2HD ARG 35 -2.832 10.780 -7.522 231 HH11 ARG 35 2HH2 ARG 35 -3.639 12.389 -9.470 232 HH12 ARG 35 1HH2 ARG 35 -3.036 13.836 -10.207 233 HH21 ARG 35 2HH1 ARG 35 0.357 12.986 -9.790 234 HH22 ARG 35 1HH1 ARG 35 -0.747 14.177 -10.391 235 H ASN 36 H ASN 36 -4.757 6.246 -6.442 236 HA ASN 36 HA ASN 36 -6.068 4.690 -8.292 237 HB3 ASN 36 2HB ASN 36 -5.107 3.798 -6.182 238 HD21 ASN 36 1HD2 ASN 36 -7.362 3.186 -4.244 239 HD22 ASN 36 2HD2 ASN 36 -7.327 4.469 -3.080 240 H GLY 37 H GLY 37 -7.065 7.531 -6.588 241 HA2 GLY 37 1HA GLY 37 -9.874 6.895 -6.392 242 HA3 GLY 37 2HA GLY 37 -9.089 8.423 -6.044 243 H LYS 38 H LYS 38 -8.855 6.477 -9.080 244 HA LYS 38 HA LYS 38 -8.900 8.401 -10.887 245 HB3 LYS 38 2HB LYS 38 -8.751 6.045 -11.447 246 HG3 LYS 38 2HG LYS 38 -11.755 5.777 -11.352 247 HD3 LYS 38 2HD LYS 38 -9.795 4.121 -12.256 248 HE3 LYS 38 2HE LYS 38 -10.235 3.398 -9.319 249 HZ1 LYS 38 3HZ LYS 38 -10.103 1.632 -11.204 250 HZ2 LYS 38 1HZ LYS 38 -8.500 1.930 -11.115 251 HZ3 LYS 38 2HZ LYS 38 -9.308 1.408 -9.795 252 H SER 39 H SER 39 -10.121 10.128 -11.434 253 HA SER 39 HA SER 39 -12.819 10.153 -10.351 254 HG SER 39 HG SER 39 -13.730 12.176 -10.227 255 HB3 SER 39 2HB SER 39 -11.201 12.520 -11.381 Start of MODEL 9 1 HA ASN 1 HA ASN 1 5.184 -4.657 -6.806 2 H1 ASN 1 HT1 ASN 1 4.903 -4.583 -9.240 3 HB3 ASN 1 2HB ASN 1 3.738 -6.772 -6.508 4 HD21 ASN 1 1HD2 ASN 1 2.914 -5.900 -9.734 5 HD22 ASN 1 2HD2 ASN 1 1.689 -4.726 -9.393 6 H GLU 2 H GLU 2 7.450 -4.975 -6.171 7 HA GLU 2 HA GLU 2 9.032 -7.060 -6.656 8 HB3 GLU 2 2HB GLU 2 8.695 -5.383 -4.149 9 HG3 GLU 2 2HG GLU 2 10.000 -7.894 -4.210 10 H GLU 3 H GLU 3 7.393 -6.905 -3.422 11 HA GLU 3 HA GLU 3 7.439 -9.768 -3.360 12 HB3 GLU 3 2HB GLU 3 6.071 -8.803 -1.079 13 HG3 GLU 3 2HG GLU 3 7.698 -10.522 -0.815 14 HA PRO 4 HA PRO 4 3.289 -10.202 -4.580 15 HB3 PRO 4 2HB PRO 4 3.652 -12.363 -5.288 16 HG3 PRO 4 2HG PRO 4 5.505 -13.380 -4.365 17 HD3 PRO 4 2HD PRO 4 6.757 -11.530 -3.820 18 H LEU 5 H LEU 5 3.309 -8.530 -2.555 19 HA LEU 5 HA LEU 5 2.360 -7.983 -0.598 20 HG LEU 5 HG LEU 5 0.332 -10.020 -2.937 21 HB3 LEU 5 2HB LEU 5 0.519 -7.300 -1.645 22 HD11 LEU 5 1HD1 LEU 5 -1.842 -8.059 -2.458 23 HD12 LEU 5 2HD1 LEU 5 -1.717 -8.727 -4.104 24 HD13 LEU 5 3HD1 LEU 5 -1.907 -9.819 -2.712 25 HD21 LEU 5 3HD2 LEU 5 1.667 -7.765 -3.696 26 HD22 LEU 5 1HD2 LEU 5 1.085 -9.030 -4.804 27 HD23 LEU 5 2HD2 LEU 5 0.115 -7.561 -4.543 28 HA PRO 6 HA PRO 6 2.451 -12.227 1.147 29 HB3 PRO 6 2HB PRO 6 4.585 -12.949 0.670 30 HG3 PRO 6 2HG PRO 6 5.970 -11.337 -0.224 31 HD3 PRO 6 2HD PRO 6 4.408 -9.914 -1.131 32 H GLU 7 H GLU 7 3.701 -12.638 3.616 33 HA GLU 7 HA GLU 7 1.916 -11.045 5.149 34 HB3 GLU 7 2HB GLU 7 2.564 -13.528 5.522 35 HG3 GLU 7 2HG GLU 7 4.888 -12.141 6.942 36 H GLY 8 H GLY 8 5.503 -11.401 4.814 37 HA2 GLY 8 1HA GLY 8 6.452 -9.771 6.749 38 HA3 GLY 8 2HA GLY 8 7.138 -9.874 5.140 39 H TRP 9 H TRP 9 5.725 -8.574 3.386 40 HA TRP 9 HA TRP 9 4.797 -6.076 4.600 41 HD1 TRP 9 HD1 TRP 9 6.842 -8.281 1.821 42 HE1 TRP 9 HE1 TRP 9 9.331 -9.149 1.696 43 HE3 TRP 9 HE3 TRP 9 8.878 -4.411 4.417 44 HZ2 TRP 9 HZ2 TRP 9 11.816 -8.142 2.675 45 HZ3 TRP 9 HZ3 TRP 9 11.342 -4.430 4.787 46 HH2 TRP 9 HH2 TRP 9 12.799 -6.211 3.964 47 HB3 TRP 9 2HB TRP 9 6.638 -5.025 3.979 48 H GLU 10 H GLU 10 3.439 -4.816 3.009 49 HA GLU 10 HA GLU 10 2.276 -6.651 1.060 50 HB3 GLU 10 2HB GLU 10 0.646 -4.426 2.275 51 HG3 GLU 10 2HG GLU 10 -0.395 -7.196 1.949 52 H ILE 11 H ILE 11 2.486 -5.979 -1.031 53 HA ILE 11 HA ILE 11 2.784 -3.087 -1.458 54 HB ILE 11 HB ILE 11 4.252 -5.398 -2.710 55 HG13 ILE 11 2HG1 ILE 11 4.847 -3.613 -0.596 56 HG21 ILE 11 1HG2 ILE 11 4.046 -4.297 -4.657 57 HG22 ILE 11 2HG2 ILE 11 3.558 -2.775 -3.872 58 HG23 ILE 11 3HG2 ILE 11 5.279 -3.217 -3.961 59 HD11 ILE 11 3HD1 ILE 11 6.616 -5.068 -0.284 60 HD12 ILE 11 1HD1 ILE 11 5.666 -6.061 -1.417 61 HD13 ILE 11 2HD1 ILE 11 7.035 -5.093 -2.014 62 H ARG 12 H ARG 12 1.387 -2.162 -2.893 63 HA ARG 12 HA ARG 12 -0.031 -3.984 -4.644 64 HE ARG 12 HE ARG 12 -2.912 -5.721 -5.479 65 HB3 ARG 12 2HB ARG 12 -1.709 -1.767 -3.599 66 HG3 ARG 12 2HG ARG 12 -3.334 -3.651 -3.316 67 HD3 ARG 12 2HD ARG 12 -1.857 -3.182 -5.896 68 HH11 ARG 12 2HH2 ARG 12 -3.748 -3.011 -7.562 69 HH12 ARG 12 1HH2 ARG 12 -4.418 -4.010 -8.809 70 HH21 ARG 12 2HH1 ARG 12 -3.796 -7.040 -7.123 71 HH22 ARG 12 1HH1 ARG 12 -4.445 -6.317 -8.557 72 H TYR 13 H TYR 13 0.078 -3.221 -6.738 73 HA TYR 13 HA TYR 13 0.941 -0.469 -7.118 74 HD1 TYR 13 HD1 TYR 13 2.463 -2.282 -6.291 75 HD2 TYR 13 HD2 TYR 13 3.053 -2.103 -10.524 76 HE1 TYR 13 HE1 TYR 13 4.975 -2.472 -5.956 77 HE2 TYR 13 HE2 TYR 13 5.564 -2.294 -10.175 78 HH TYR 13 HH TYR 13 7.023 -3.389 -8.177 79 HB3 TYR 13 2HB TYR 13 0.913 -1.562 -9.581 80 H THR 14 H THR 14 -0.133 0.992 -8.584 81 HA THR 14 HA THR 14 -2.857 0.226 -9.333 82 HB THR 14 HB THR 14 -2.082 2.727 -7.738 83 HG1 THR 14 HG1 THR 14 -3.782 0.408 -7.168 84 HG21 THR 14 3HG2 THR 14 -4.019 3.376 -8.959 85 HG22 THR 14 1HG2 THR 14 -4.662 1.717 -8.992 86 HG23 THR 14 2HG2 THR 14 -4.715 2.663 -7.485 87 H ARG 15 H ARG 15 -2.126 3.587 -9.455 88 HA ARG 15 HA ARG 15 -2.400 3.672 -12.169 89 HE ARG 15 HE ARG 15 -4.156 8.576 -11.283 90 HB3 ARG 15 2HB ARG 15 -0.709 5.827 -10.989 91 HG3 ARG 15 2HG ARG 15 -3.552 5.934 -12.084 92 HD3 ARG 15 2HD ARG 15 -1.609 8.089 -12.681 93 HH11 ARG 15 2HH2 ARG 15 -2.578 8.063 -14.386 94 HH12 ARG 15 1HH2 ARG 15 -3.850 8.802 -15.299 95 HH21 ARG 15 2HH1 ARG 15 -5.835 9.551 -12.488 96 HH22 ARG 15 1HH1 ARG 15 -5.716 9.654 -14.212 97 H GLU 16 H GLU 16 -0.476 5.028 -13.494 98 HA GLU 16 HA GLU 16 1.279 3.322 -14.387 99 HB3 GLU 16 2HB GLU 16 1.185 5.480 -15.394 100 HG3 GLU 16 2HG GLU 16 2.561 6.846 -13.085 101 H GLY 17 H GLY 17 2.056 5.542 -11.609 102 HA2 GLY 17 1HA GLY 17 3.838 3.455 -10.552 103 HA3 GLY 17 2HA GLY 17 4.480 5.059 -10.845 104 H VAL 18 H VAL 18 1.148 4.226 -9.731 105 HA VAL 18 HA VAL 18 1.569 5.974 -7.454 106 HB VAL 18 HB VAL 18 -0.737 4.859 -8.963 107 HG11 VAL 18 1HG1 VAL 18 -2.328 5.334 -7.183 108 HG12 VAL 18 2HG1 VAL 18 -1.164 4.102 -6.641 109 HG13 VAL 18 3HG1 VAL 18 -1.003 5.784 -6.081 110 HG21 VAL 18 3HG2 VAL 18 -1.374 7.064 -9.179 111 HG22 VAL 18 1HG2 VAL 18 -0.641 7.546 -7.630 112 HG23 VAL 18 2HG2 VAL 18 0.392 7.243 -9.048 113 H ARG 19 H ARG 19 2.111 2.748 -8.206 114 HA ARG 19 HA ARG 19 1.019 1.184 -6.417 115 HE ARG 19 HE ARG 19 6.756 2.508 -6.179 116 HB3 ARG 19 2HB ARG 19 2.655 0.072 -7.640 117 HG3 ARG 19 2HG ARG 19 3.756 2.053 -8.566 118 HD3 ARG 19 2HD ARG 19 4.468 2.490 -5.705 119 HH11 ARG 19 2HH2 ARG 19 5.009 3.789 -8.953 120 HH12 ARG 19 1HH2 ARG 19 6.445 4.245 -9.807 121 HH21 ARG 19 2HH1 ARG 19 8.651 3.109 -7.307 122 HH22 ARG 19 1HH1 ARG 19 8.531 3.856 -8.865 123 H TYR 20 H TYR 20 1.820 0.320 -4.222 124 HA TYR 20 HA TYR 20 3.319 2.219 -2.637 125 HD1 TYR 20 HD2 TYR 20 1.271 0.278 -0.057 126 HD2 TYR 20 HD1 TYR 20 -1.193 1.650 -3.272 127 HE1 TYR 20 HE2 TYR 20 -0.482 -1.467 0.533 128 HE2 TYR 20 HE1 TYR 20 -2.938 -0.099 -2.672 129 HH TYR 20 HH TYR 20 -3.394 -1.838 -1.455 130 HB3 TYR 20 2HB TYR 20 0.758 2.821 -2.765 131 H PHE 21 H PHE 21 3.643 1.353 -0.354 132 HA PHE 21 HA PHE 21 3.273 -1.539 -0.231 133 HD1 PHE 21 HD1 PHE 21 4.577 -1.690 -2.535 134 HD2 PHE 21 HD2 PHE 21 7.247 1.006 -0.634 135 HE1 PHE 21 HE1 PHE 21 5.415 -0.936 -4.779 136 HE2 PHE 21 HE2 PHE 21 8.084 1.760 -2.877 137 HZ PHE 21 HZ PHE 21 7.158 0.779 -4.923 138 HB3 PHE 21 2HB PHE 21 5.614 -1.891 0.042 139 H VAL 22 H VAL 22 3.226 -2.396 1.925 140 HA VAL 22 HA VAL 22 3.494 -0.478 4.088 141 HB VAL 22 HB VAL 22 1.195 -0.207 3.418 142 HG11 VAL 22 1HG1 VAL 22 0.963 -2.395 2.244 143 HG12 VAL 22 2HG1 VAL 22 0.833 -3.193 3.830 144 HG13 VAL 22 3HG1 VAL 22 -0.403 -2.018 3.320 145 HG21 VAL 22 3HG2 VAL 22 0.347 -1.692 5.670 146 HG22 VAL 22 1HG2 VAL 22 2.025 -1.196 5.998 147 HG23 VAL 22 2HG2 VAL 22 0.796 0.028 5.600 148 H ASP 23 H ASP 23 4.916 -1.472 5.418 149 HA ASP 23 HA ASP 23 5.166 -4.294 5.323 150 HB3 ASP 23 2HB ASP 23 6.409 -2.597 7.492 151 H HIS 24 H HIS 24 4.984 -5.683 7.340 152 HA HIS 24 HA HIS 24 2.598 -5.633 8.529 153 HD1 HIS 24 HD1 HIS 24 5.143 -8.184 11.672 154 HD2 HIS 24 HD2 HIS 24 1.453 -6.455 10.676 155 HE1 HIS 24 HE1 HIS 24 3.574 -8.676 13.623 156 HE2 HIS 24 HE2 HIS 24 1.339 -7.542 12.978 157 HB3 HIS 24 2HB HIS 24 5.245 -6.591 9.634 158 H ASN 25 H ASN 25 5.358 -3.552 9.259 159 HA ASN 25 HA ASN 25 3.698 -2.312 11.306 160 HB3 ASN 25 2HB ASN 25 5.695 -1.824 12.636 161 HD21 ASN 25 1HD2 ASN 25 4.190 -3.386 13.580 162 HD22 ASN 25 2HD2 ASN 25 4.681 -5.035 13.774 163 H THR 26 H THR 26 4.207 0.095 11.544 164 HA THR 26 HA THR 26 4.291 1.389 9.089 165 HB THR 26 HB THR 26 3.325 2.273 11.235 166 HG1 THR 26 HG1 THR 26 3.895 4.314 10.482 167 HG21 THR 26 3HG2 THR 26 5.092 3.524 12.684 168 HG22 THR 26 1HG2 THR 26 4.953 1.768 12.938 169 HG23 THR 26 2HG2 THR 26 6.286 2.424 11.958 170 H ARG 27 H ARG 27 6.761 -0.391 10.334 171 HA ARG 27 HA ARG 27 8.939 1.235 10.234 172 HE ARG 27 HE ARG 27 11.002 -2.614 9.717 173 HB3 ARG 27 2HB ARG 27 8.956 -1.152 10.977 174 HG3 ARG 27 2HG ARG 27 9.008 -1.862 8.013 175 HD3 ARG 27 2HD ARG 27 8.899 -4.125 8.750 176 HH11 ARG 27 2HH2 ARG 27 9.241 -5.393 10.965 177 HH12 ARG 27 1HH2 ARG 27 10.593 -6.015 11.851 178 HH21 ARG 27 2HH1 ARG 27 12.787 -3.433 10.886 179 HH22 ARG 27 1HH1 ARG 27 12.624 -4.892 11.806 180 H THR 28 H THR 28 7.192 -0.482 7.583 181 HA THR 28 HA THR 28 8.538 1.279 5.672 182 HB THR 28 HB THR 28 8.799 -1.680 5.936 183 HG1 THR 28 HG1 THR 28 10.076 0.418 4.330 184 HG21 THR 28 3HG2 THR 28 7.579 -1.988 3.944 185 HG22 THR 28 1HG2 THR 28 7.913 -0.337 3.370 186 HG23 THR 28 2HG2 THR 28 9.182 -1.583 3.287 187 H THR 29 H THR 29 6.803 2.539 5.190 188 HA THR 29 HA THR 29 4.573 1.123 3.927 189 HB THR 29 HB THR 29 4.011 1.662 6.349 190 HG1 THR 29 HG1 THR 29 2.762 3.244 4.212 191 HG21 THR 29 3HG2 THR 29 4.094 3.813 7.184 192 HG22 THR 29 1HG2 THR 29 5.308 4.073 5.908 193 HG23 THR 29 2HG2 THR 29 3.611 4.527 5.628 194 H THR 30 H THR 30 4.625 1.742 1.862 195 HA THR 30 HA THR 30 5.563 4.444 1.268 196 HB THR 30 HB THR 30 5.399 1.786 -0.122 197 HG1 THR 30 HG1 THR 30 7.348 2.877 0.760 198 HG21 THR 30 3HG2 THR 30 4.079 3.616 -1.529 199 HG22 THR 30 1HG2 THR 30 5.696 4.322 -1.766 200 HG23 THR 30 2HG2 THR 30 5.359 2.666 -2.324 201 H PHE 31 H PHE 31 4.256 6.094 0.788 202 HA PHE 31 HA PHE 31 1.463 5.394 0.212 203 HD1 PHE 31 HD2 PHE 31 1.545 5.029 3.073 204 HD2 PHE 31 HD1 PHE 31 -0.339 8.541 1.615 205 HE1 PHE 31 HE2 PHE 31 -0.503 4.490 4.420 206 HE2 PHE 31 HE1 PHE 31 -2.387 8.002 2.963 207 HZ PHE 31 HZ PHE 31 -2.444 5.982 4.348 208 HB3 PHE 31 2HB PHE 31 1.858 8.146 1.038 209 H LYS 32 H LYS 32 0.736 5.911 -1.795 210 HA LYS 32 HA LYS 32 2.330 7.859 -3.301 211 HB3 LYS 32 2HB LYS 32 0.592 6.402 -5.013 212 HG3 LYS 32 2HG LYS 32 2.801 7.285 -5.650 213 HD3 LYS 32 2HD LYS 32 4.478 5.228 -4.474 214 HE3 LYS 32 2HE LYS 32 4.596 8.144 -3.695 215 HZ1 LYS 32 3HZ LYS 32 6.304 5.957 -3.768 216 HZ2 LYS 32 1HZ LYS 32 6.890 7.074 -4.806 217 HZ3 LYS 32 2HZ LYS 32 6.625 7.470 -3.245 218 H ASP 33 H ASP 33 1.009 9.178 -4.926 219 HA ASP 33 HA ASP 33 -0.669 10.811 -3.646 220 HB3 ASP 33 2HB ASP 33 -1.710 10.787 -6.254 221 HA PRO 34 HA PRO 34 -4.600 8.861 -3.563 222 HB3 PRO 34 2HB PRO 34 -5.645 10.674 -2.602 223 HG3 PRO 34 2HG PRO 34 -4.650 12.706 -3.048 224 HD3 PRO 34 2HD PRO 34 -2.504 12.018 -3.505 225 H ARG 35 H ARG 35 -3.219 9.533 -6.384 226 HA ARG 35 HA ARG 35 -5.197 9.410 -8.223 227 HE ARG 35 HE ARG 35 -1.593 12.435 -7.898 228 HB3 ARG 35 2HB ARG 35 -3.297 7.977 -9.516 229 HG3 ARG 35 2HG ARG 35 -3.764 10.801 -8.989 230 HD3 ARG 35 2HD ARG 35 -0.955 10.452 -9.932 231 HH11 ARG 35 2HH2 ARG 35 -1.934 11.677 -11.318 232 HH12 ARG 35 1HH2 ARG 35 -2.096 13.334 -11.800 233 HH21 ARG 35 2HH1 ARG 35 -1.808 14.620 -8.533 234 HH22 ARG 35 1HH1 ARG 35 -2.023 15.018 -10.205 235 H ASN 36 H ASN 36 -3.839 6.834 -6.167 236 HA ASN 36 HA ASN 36 -4.696 4.652 -7.598 237 HB3 ASN 36 2HB ASN 36 -3.187 4.703 -5.519 238 HD21 ASN 36 1HD2 ASN 36 -5.905 3.264 -4.038 239 HD22 ASN 36 2HD2 ASN 36 -6.124 4.364 -2.719 240 H GLY 37 H GLY 37 -6.401 7.043 -5.641 241 HA2 GLY 37 1HA GLY 37 -8.725 5.432 -5.101 242 HA3 GLY 37 2HA GLY 37 -8.513 7.146 -4.808 243 H LYS 38 H LYS 38 -8.183 5.222 -7.869 244 HA LYS 38 HA LYS 38 -9.081 6.945 -9.651 245 HB3 LYS 38 2HB LYS 38 -10.258 4.849 -10.725 246 HG3 LYS 38 2HG LYS 38 -7.716 5.890 -10.816 247 HD3 LYS 38 2HD LYS 38 -7.599 3.165 -9.526 248 HE3 LYS 38 2HE LYS 38 -6.522 2.675 -11.646 249 HZ1 LYS 38 3HZ LYS 38 -4.721 4.153 -12.376 250 HZ2 LYS 38 1HZ LYS 38 -6.193 4.857 -12.460 251 HZ3 LYS 38 2HZ LYS 38 -5.168 5.249 -11.251 252 H SER 39 H SER 39 -10.781 8.284 -9.906 253 HA SER 39 HA SER 39 -13.031 7.896 -8.188 254 HG SER 39 HG SER 39 -14.695 9.834 -9.789 255 HB3 SER 39 2HB SER 39 -12.359 10.049 -10.239 Start of MODEL 10 1 HA ASN 1 HA ASN 1 5.480 -3.444 -5.662 2 H1 ASN 1 HT1 ASN 1 4.701 -2.681 -7.980 3 HB3 ASN 1 2HB ASN 1 4.371 -5.203 -7.887 4 HD21 ASN 1 1HD2 ASN 1 2.884 -5.827 -5.070 5 HD22 ASN 1 2HD2 ASN 1 3.693 -7.268 -4.550 6 H GLU 2 H GLU 2 7.175 -4.595 -4.652 7 HA GLU 2 HA GLU 2 9.098 -5.795 -6.480 8 HB3 GLU 2 2HB GLU 2 9.947 -3.888 -5.138 9 HG3 GLU 2 2HG GLU 2 9.515 -5.669 -2.702 10 H GLU 3 H GLU 3 7.595 -6.178 -3.195 11 HA GLU 3 HA GLU 3 8.434 -8.929 -3.186 12 HB3 GLU 3 2HB GLU 3 6.769 -8.433 -0.948 13 HG3 GLU 3 2HG GLU 3 8.774 -9.706 -0.681 14 HA PRO 4 HA PRO 4 4.545 -10.604 -4.168 15 HB3 PRO 4 2HB PRO 4 5.199 -12.773 -3.763 16 HG3 PRO 4 2HG PRO 4 6.897 -12.996 -2.217 17 HD3 PRO 4 2HD PRO 4 7.875 -10.922 -2.385 18 H LEU 5 H LEU 5 4.200 -11.035 -0.687 19 HA LEU 5 HA LEU 5 2.626 -8.865 -0.177 20 HG LEU 5 HG LEU 5 0.134 -8.413 -0.148 21 HB3 LEU 5 2HB LEU 5 0.542 -10.856 -0.365 22 HD11 LEU 5 1HD1 LEU 5 2.008 -7.766 -1.717 23 HD12 LEU 5 2HD1 LEU 5 0.918 -8.191 -3.058 24 HD13 LEU 5 3HD1 LEU 5 0.474 -6.888 -1.929 25 HD21 LEU 5 3HD2 LEU 5 -1.316 -8.704 -2.585 26 HD22 LEU 5 1HD2 LEU 5 -1.207 -10.300 -1.806 27 HD23 LEU 5 2HD2 LEU 5 -1.884 -8.918 -0.912 28 HA PRO 6 HA PRO 6 2.080 -12.259 3.049 29 HB3 PRO 6 2HB PRO 6 1.068 -14.206 2.354 30 HG3 PRO 6 2HG PRO 6 1.229 -14.622 0.091 31 HD3 PRO 6 2HD PRO 6 1.536 -12.484 -0.696 32 H GLU 7 H GLU 7 4.755 -11.895 1.103 33 HA GLU 7 HA GLU 7 6.703 -13.249 2.373 34 HB3 GLU 7 2HB GLU 7 6.583 -10.611 0.942 35 HG3 GLU 7 2HG GLU 7 8.546 -11.186 2.996 36 H GLY 8 H GLY 8 5.874 -9.780 3.122 37 HA2 GLY 8 1HA GLY 8 5.947 -10.269 5.951 38 HA3 GLY 8 2HA GLY 8 7.379 -9.442 5.369 39 H TRP 9 H TRP 9 6.202 -7.927 3.206 40 HA TRP 9 HA TRP 9 4.481 -6.120 4.764 41 HD1 TRP 9 HD1 TRP 9 7.285 -4.890 0.975 42 HE1 TRP 9 HE1 TRP 9 9.644 -6.031 0.665 43 HE3 TRP 9 HE3 TRP 9 7.513 -6.896 5.642 44 HZ2 TRP 9 HZ2 TRP 9 11.304 -7.609 2.368 45 HZ3 TRP 9 HZ3 TRP 9 9.538 -8.223 6.238 46 HH2 TRP 9 HH2 TRP 9 11.391 -8.594 4.688 47 HB3 TRP 9 2HB TRP 9 6.177 -4.703 4.488 48 H GLU 10 H GLU 10 2.938 -4.838 3.337 49 HA GLU 10 HA GLU 10 2.018 -6.608 1.219 50 HB3 GLU 10 2HB GLU 10 0.230 -4.434 2.211 51 HG3 GLU 10 2HG GLU 10 -0.172 -6.598 0.643 52 H ILE 11 H ILE 11 2.073 -5.923 -0.891 53 HA ILE 11 HA ILE 11 2.510 -3.047 -1.308 54 HB ILE 11 HB ILE 11 3.749 -5.404 -2.726 55 HG13 ILE 11 2HG1 ILE 11 4.574 -4.170 -0.437 56 HG21 ILE 11 1HG2 ILE 11 3.702 -4.140 -4.567 57 HG22 ILE 11 2HG2 ILE 11 3.221 -2.681 -3.668 58 HG23 ILE 11 3HG2 ILE 11 4.937 -3.145 -3.759 59 HD11 ILE 11 3HD1 ILE 11 5.720 -5.870 -2.531 60 HD12 ILE 11 1HD1 ILE 11 6.958 -4.841 -1.772 61 HD13 ILE 11 2HD1 ILE 11 5.968 -5.928 -0.769 62 H ARG 12 H ARG 12 0.912 -2.064 -2.418 63 HA ARG 12 HA ARG 12 -0.708 -3.810 -4.093 64 HE ARG 12 HE ARG 12 -4.706 -2.732 -2.998 65 HB3 ARG 12 2HB ARG 12 -2.500 -1.903 -3.619 66 HG3 ARG 12 2HG ARG 12 -2.988 -3.069 -1.318 67 HD3 ARG 12 2HD ARG 12 -3.378 -5.335 -2.623 68 HH11 ARG 12 2HH2 ARG 12 -4.798 -6.185 -3.672 69 HH12 ARG 12 1HH2 ARG 12 -6.500 -6.208 -3.989 70 HH21 ARG 12 2HH1 ARG 12 -6.952 -2.762 -3.417 71 HH22 ARG 12 1HH1 ARG 12 -7.734 -4.247 -3.844 72 H TYR 13 H TYR 13 -1.255 -3.027 -6.195 73 HA TYR 13 HA TYR 13 0.095 -0.515 -6.926 74 HD1 TYR 13 HD1 TYR 13 0.664 -4.339 -6.635 75 HD2 TYR 13 HD2 TYR 13 -1.819 -3.281 -9.954 76 HE1 TYR 13 HE1 TYR 13 -0.308 -6.689 -6.666 77 HE2 TYR 13 HE2 TYR 13 -2.782 -5.634 -9.975 78 HH TYR 13 HH TYR 13 -2.676 -7.644 -7.530 79 HB3 TYR 13 2HB TYR 13 1.136 -2.324 -8.119 80 H THR 14 H THR 14 -0.954 0.861 -8.497 81 HA THR 14 HA THR 14 -3.762 0.234 -9.026 82 HB THR 14 HB THR 14 -2.642 2.602 -7.470 83 HG1 THR 14 HG1 THR 14 -3.782 1.418 -5.992 84 HG21 THR 14 3HG2 THR 14 -4.363 3.982 -8.109 85 HG22 THR 14 1HG2 THR 14 -4.514 2.928 -9.536 86 HG23 THR 14 2HG2 THR 14 -5.533 2.640 -8.104 87 H ARG 15 H ARG 15 -1.784 3.225 -9.420 88 HA ARG 15 HA ARG 15 -2.555 3.225 -12.164 89 HE ARG 15 HE ARG 15 -5.224 4.494 -13.035 90 HB3 ARG 15 2HB ARG 15 -0.530 5.221 -11.321 91 HG3 ARG 15 2HG ARG 15 -2.239 5.269 -13.299 92 HD3 ARG 15 2HD ARG 15 -4.155 6.763 -11.669 93 HH11 ARG 15 2HH2 ARG 15 -3.406 7.425 -13.731 94 HH12 ARG 15 1HH2 ARG 15 -3.995 7.558 -15.355 95 HH21 ARG 15 2HH1 ARG 15 -6.001 4.669 -15.177 96 HH22 ARG 15 1HH1 ARG 15 -5.481 5.979 -16.182 97 H GLU 16 H GLU 16 -0.492 4.187 -13.644 98 HA GLU 16 HA GLU 16 0.944 2.208 -14.483 99 HB3 GLU 16 2HB GLU 16 1.865 5.075 -14.075 100 HG3 GLU 16 2HG GLU 16 3.899 3.698 -14.306 101 H GLY 17 H GLY 17 2.222 4.363 -11.838 102 HA2 GLY 17 1HA GLY 17 3.511 2.022 -10.635 103 HA3 GLY 17 2HA GLY 17 4.535 3.352 -11.139 104 H VAL 18 H VAL 18 1.176 3.558 -9.827 105 HA VAL 18 HA VAL 18 2.173 5.380 -7.802 106 HB VAL 18 HB VAL 18 -0.159 5.137 -9.374 107 HG11 VAL 18 1HG1 VAL 18 -0.965 3.667 -7.468 108 HG12 VAL 18 2HG1 VAL 18 -0.886 5.112 -6.433 109 HG13 VAL 18 3HG1 VAL 18 -1.977 5.083 -7.838 110 HG21 VAL 18 3HG2 VAL 18 -0.150 7.115 -7.166 111 HG22 VAL 18 1HG2 VAL 18 1.285 7.122 -8.220 112 HG23 VAL 18 2HG2 VAL 18 -0.335 7.348 -8.921 113 H ARG 19 H ARG 19 1.839 2.062 -8.157 114 HA ARG 19 HA ARG 19 0.503 1.050 -6.146 115 HE ARG 19 HE ARG 19 4.300 1.495 -8.946 116 HB3 ARG 19 2HB ARG 19 2.328 0.010 -7.787 117 HG3 ARG 19 2HG ARG 19 4.346 -0.740 -6.523 118 HD3 ARG 19 2HD ARG 19 5.395 1.633 -6.233 119 HH11 ARG 19 2HH2 ARG 19 6.591 0.063 -6.691 120 HH12 ARG 19 1HH2 ARG 19 7.599 -0.596 -7.936 121 HH21 ARG 19 2HH1 ARG 19 5.630 0.625 -10.588 122 HH22 ARG 19 1HH1 ARG 19 7.049 -0.275 -10.167 123 H TYR 20 H TYR 20 1.111 0.332 -3.877 124 HA TYR 20 HA TYR 20 3.095 2.074 -2.616 125 HD1 TYR 20 HD2 TYR 20 1.197 0.544 0.275 126 HD2 TYR 20 HD1 TYR 20 -1.521 1.905 -2.736 127 HE1 TYR 20 HE2 TYR 20 -0.615 -0.972 1.216 128 HE2 TYR 20 HE1 TYR 20 -3.323 0.383 -1.786 129 HH TYR 20 HH TYR 20 -2.658 -1.639 1.064 130 HB3 TYR 20 2HB TYR 20 0.579 2.894 -2.587 131 H PHE 21 H PHE 21 3.634 1.336 -0.364 132 HA PHE 21 HA PHE 21 3.093 -1.531 -0.059 133 HD1 PHE 21 HD1 PHE 21 4.264 -1.691 -2.286 134 HD2 PHE 21 HD2 PHE 21 7.249 0.765 -0.535 135 HE1 PHE 21 HE1 PHE 21 5.143 -1.131 -4.569 136 HE2 PHE 21 HE2 PHE 21 8.128 1.325 -2.818 137 HZ PHE 21 HZ PHE 21 7.064 0.371 -4.808 138 HB3 PHE 21 2HB PHE 21 5.431 -1.867 0.338 139 H VAL 22 H VAL 22 2.830 -2.288 2.082 140 HA VAL 22 HA VAL 22 3.163 -0.355 4.224 141 HB VAL 22 HB VAL 22 0.527 -1.662 3.527 142 HG11 VAL 22 1HG1 VAL 22 0.016 -1.568 5.696 143 HG12 VAL 22 2HG1 VAL 22 1.586 -0.822 6.076 144 HG13 VAL 22 3HG1 VAL 22 0.200 0.202 5.628 145 HG21 VAL 22 3HG2 VAL 22 -0.177 0.841 3.604 146 HG22 VAL 22 1HG2 VAL 22 1.559 1.166 3.383 147 HG23 VAL 22 2HG2 VAL 22 0.667 0.224 2.164 148 H ASP 23 H ASP 23 4.565 -1.480 5.487 149 HA ASP 23 HA ASP 23 4.484 -4.308 5.512 150 HB3 ASP 23 2HB ASP 23 5.947 -2.667 7.587 151 H HIS 24 H HIS 24 4.110 -5.616 7.526 152 HA HIS 24 HA HIS 24 1.787 -5.205 8.767 153 HD1 HIS 24 HD1 HIS 24 3.549 -8.285 11.841 154 HD2 HIS 24 HD2 HIS 24 0.306 -6.119 10.297 155 HE1 HIS 24 HE1 HIS 24 1.547 -8.840 13.323 156 HE2 HIS 24 HE2 HIS 24 -0.402 -7.438 12.358 157 HB3 HIS 24 2HB HIS 24 4.207 -6.427 10.119 158 H ASN 25 H ASN 25 4.834 -3.535 9.403 159 HA ASN 25 HA ASN 25 3.423 -2.056 11.480 160 HB3 ASN 25 2HB ASN 25 5.991 -1.667 12.255 161 HD21 ASN 25 1HD2 ASN 25 5.937 -4.955 12.600 162 HD22 ASN 25 2HD2 ASN 25 5.009 -5.119 14.054 163 H THR 26 H THR 26 4.307 0.257 11.687 164 HA THR 26 HA THR 26 4.445 1.525 9.224 165 HB THR 26 HB THR 26 3.806 2.450 11.540 166 HG1 THR 26 HG1 THR 26 5.896 3.761 9.946 167 HG21 THR 26 3HG2 THR 26 5.670 3.527 12.795 168 HG22 THR 26 1HG2 THR 26 5.877 1.758 12.780 169 HG23 THR 26 2HG2 THR 26 6.850 2.778 11.692 170 H ARG 27 H ARG 27 6.685 -0.611 10.330 171 HA ARG 27 HA ARG 27 9.079 0.649 10.107 172 HE ARG 27 HE ARG 27 8.061 -1.993 13.424 173 HB3 ARG 27 2HB ARG 27 9.792 -1.738 9.135 174 HG3 ARG 27 2HG ARG 27 8.855 -0.888 11.838 175 HD3 ARG 27 2HD ARG 27 9.733 -3.717 11.790 176 HH11 ARG 27 2HH2 ARG 27 8.663 -5.358 12.590 177 HH12 ARG 27 1HH2 ARG 27 8.041 -5.973 14.085 178 HH21 ARG 27 2HH1 ARG 27 7.240 -2.804 15.397 179 HH22 ARG 27 1HH1 ARG 27 7.227 -4.510 15.693 180 H THR 28 H THR 28 6.953 -0.740 7.537 181 HA THR 28 HA THR 28 8.415 0.865 5.577 182 HB THR 28 HB THR 28 8.394 -2.087 5.821 183 HG1 THR 28 HG1 THR 28 10.338 -0.896 5.546 184 HG21 THR 28 3HG2 THR 28 8.413 -2.258 3.233 185 HG22 THR 28 1HG2 THR 28 6.809 -2.129 3.996 186 HG23 THR 28 2HG2 THR 28 7.550 -0.701 3.234 187 H THR 29 H THR 29 6.825 2.334 5.200 188 HA THR 29 HA THR 29 4.354 1.210 4.089 189 HB THR 29 HB THR 29 3.215 3.194 5.353 190 HG1 THR 29 HG1 THR 29 5.745 2.762 6.780 191 HG21 THR 29 3HG2 THR 29 4.489 1.067 7.144 192 HG22 THR 29 1HG2 THR 29 2.960 1.934 7.423 193 HG23 THR 29 2HG2 THR 29 3.079 0.739 6.109 194 H THR 30 H THR 30 4.578 1.683 1.977 195 HA THR 30 HA THR 30 5.684 4.294 1.275 196 HB THR 30 HB THR 30 5.415 1.584 0.033 197 HG1 THR 30 HG1 THR 30 7.449 2.706 -0.927 198 HG21 THR 30 3HG2 THR 30 5.689 4.030 -1.759 199 HG22 THR 30 1HG2 THR 30 5.406 2.338 -2.232 200 HG23 THR 30 2HG2 THR 30 4.095 3.285 -1.489 201 H PHE 31 H PHE 31 4.493 5.997 0.685 202 HA PHE 31 HA PHE 31 1.668 5.445 0.103 203 HD1 PHE 31 HD2 PHE 31 -0.109 5.941 1.605 204 HD2 PHE 31 HD1 PHE 31 1.554 9.793 0.973 205 HE1 PHE 31 HE2 PHE 31 -2.414 6.936 1.610 206 HE2 PHE 31 HE1 PHE 31 -0.749 10.788 0.978 207 HZ PHE 31 HZ PHE 31 -2.705 9.349 1.296 208 HB3 PHE 31 2HB PHE 31 2.982 8.008 1.172 209 H LYS 32 H LYS 32 1.091 5.830 -1.978 210 HA LYS 32 HA LYS 32 2.756 7.723 -3.480 211 HB3 LYS 32 2HB LYS 32 1.119 6.159 -5.208 212 HG3 LYS 32 2HG LYS 32 3.465 5.197 -5.771 213 HD3 LYS 32 2HD LYS 32 2.249 7.613 -6.433 214 HE3 LYS 32 2HE LYS 32 4.610 8.184 -4.800 215 HZ1 LYS 32 3HZ LYS 32 5.465 9.795 -6.452 216 HZ2 LYS 32 1HZ LYS 32 5.806 8.237 -6.804 217 HZ3 LYS 32 2HZ LYS 32 4.620 9.017 -7.613 218 H ASP 33 H ASP 33 1.522 8.964 -5.223 219 HA ASP 33 HA ASP 33 -0.257 10.614 -4.100 220 HB3 ASP 33 2HB ASP 33 -1.121 10.548 -6.754 221 HA PRO 34 HA PRO 34 -4.092 8.488 -4.101 222 HB3 PRO 34 2HB PRO 34 -5.121 10.130 -2.858 223 HG3 PRO 34 2HG PRO 34 -4.150 12.215 -3.022 224 HD3 PRO 34 2HD PRO 34 -2.013 11.622 -3.629 225 H ARG 35 H ARG 35 -2.905 7.920 -6.398 226 HA ARG 35 HA ARG 35 -4.418 8.809 -8.575 227 HE ARG 35 HE ARG 35 0.392 9.542 -9.806 228 HB3 ARG 35 2HB ARG 35 -3.223 6.291 -9.227 229 HG3 ARG 35 2HG ARG 35 -3.235 8.507 -10.525 230 HD3 ARG 35 2HD ARG 35 -1.347 9.154 -8.297 231 HH11 ARG 35 2HH2 ARG 35 -2.657 10.388 -11.346 232 HH12 ARG 35 1HH2 ARG 35 -1.906 11.038 -12.766 233 HH21 ARG 35 2HH1 ARG 35 1.383 10.399 -11.679 234 HH22 ARG 35 1HH1 ARG 35 0.407 11.044 -12.956 235 H ASN 36 H ASN 36 -4.479 5.894 -6.456 236 HA ASN 36 HA ASN 36 -6.329 4.482 -7.974 237 HB3 ASN 36 2HB ASN 36 -4.883 3.507 -6.148 238 HD21 ASN 36 1HD2 ASN 36 -7.204 3.087 -3.968 239 HD22 ASN 36 2HD2 ASN 36 -6.762 4.215 -2.730 240 H GLY 37 H GLY 37 -6.593 7.395 -6.219 241 HA2 GLY 37 1HA GLY 37 -9.260 7.006 -5.164 242 HA3 GLY 37 2HA GLY 37 -8.295 8.469 -5.137 243 H LYS 38 H LYS 38 -8.951 6.501 -8.073 244 HA LYS 38 HA LYS 38 -9.454 8.418 -9.816 245 HB3 LYS 38 2HB LYS 38 -9.474 6.060 -10.384 246 HG3 LYS 38 2HG LYS 38 -12.138 5.257 -9.990 247 HD3 LYS 38 2HD LYS 38 -9.468 4.574 -8.769 248 HE3 LYS 38 2HE LYS 38 -12.187 3.694 -7.733 249 HZ1 LYS 38 3HZ LYS 38 -11.028 1.875 -6.711 250 HZ2 LYS 38 1HZ LYS 38 -10.919 1.742 -8.336 251 HZ3 LYS 38 2HZ LYS 38 -9.634 2.262 -7.470 252 H SER 39 H SER 39 -11.096 9.835 -10.468 253 HA SER 39 HA SER 39 -13.293 10.012 -8.557 254 HG SER 39 HG SER 39 -11.600 11.808 -10.980 255 HB3 SER 39 2HB SER 39 -11.795 11.900 -8.219
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