NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27139 | 2p6j | 7401 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -12.578 -9.819 2.834 2 H2 MET 1 2H MET 1 -13.857 -9.873 3.947 3 H3 MET 1 3H MET 1 -12.512 -10.883 4.151 4 HA MET 1 HA MET 1 -12.516 -7.925 4.312 5 HB2 MET 1 1HB MET 1 -12.289 -10.066 6.432 6 HB3 MET 1 2HB MET 1 -11.868 -8.382 6.709 7 HG2 MET 1 1HG MET 1 -14.575 -9.432 5.926 8 HG3 MET 1 2HG MET 1 -14.096 -8.853 7.524 9 HE1 MET 1 3HE MET 1 -16.236 -7.225 7.509 10 HE2 MET 1 1HE MET 1 -16.665 -7.814 5.903 11 HE3 MET 1 2HE MET 1 -16.569 -6.081 6.208 12 H LYS 2 H LYS 2 -10.699 -10.885 4.053 13 HA LYS 2 HA LYS 2 -8.175 -9.461 4.332 14 HB2 LYS 2 1HB LYS 2 -8.867 -12.356 3.855 15 HB3 LYS 2 2HB LYS 2 -7.217 -11.758 3.767 16 HG2 LYS 2 1HG LYS 2 -7.283 -11.084 6.072 17 HG3 LYS 2 2HG LYS 2 -8.990 -11.509 6.188 18 HD2 LYS 2 1HD LYS 2 -6.825 -13.488 5.501 19 HD3 LYS 2 2HD LYS 2 -7.393 -13.200 7.148 20 HE2 LYS 2 1HE LYS 2 -9.662 -13.823 6.462 21 HE3 LYS 2 2HE LYS 2 -9.081 -14.124 4.826 22 HZ1 LYS 2 3HZ LYS 2 -7.766 -15.928 5.589 23 HZ2 LYS 2 1HZ LYS 2 -9.315 -16.136 6.246 24 HZ3 LYS 2 2HZ LYS 2 -8.056 -15.552 7.218 25 H GLN 3 H GLN 3 -7.700 -8.211 2.651 26 HA GLN 3 HA GLN 3 -7.961 -9.372 -0.051 27 HB2 GLN 3 1HB GLN 3 -8.275 -6.531 0.897 28 HB3 GLN 3 2HB GLN 3 -7.917 -6.902 -0.784 29 HG2 GLN 3 1HG GLN 3 -9.949 -8.196 -0.966 30 HG3 GLN 3 2HG GLN 3 -10.304 -7.918 0.740 31 HE21 GLN 3 1HE2 GLN 3 -11.076 -5.917 1.392 32 HE22 GLN 3 2HE2 GLN 3 -11.615 -4.718 0.261 33 H TRP 4 H TRP 4 -5.828 -9.258 2.120 34 HA TRP 4 HA TRP 4 -3.533 -9.071 0.532 35 HB2 TRP 4 1HB TRP 4 -2.571 -7.099 2.011 36 HB3 TRP 4 2HB TRP 4 -3.435 -6.775 0.529 37 HD1 TRP 4 HD1 TRP 4 -4.553 -4.524 0.972 38 HE1 TRP 4 HE1 TRP 4 -6.174 -3.578 2.728 39 HE3 TRP 4 HE3 TRP 4 -4.507 -8.407 4.231 40 HZ2 TRP 4 HZ2 TRP 4 -7.279 -4.387 5.199 41 HZ3 TRP 4 HZ3 TRP 4 -5.868 -8.263 6.284 42 HH2 TRP 4 HH2 TRP 4 -7.225 -6.286 6.755 43 H SER 5 H SER 5 -1.559 -8.729 2.289 44 HA SER 5 HA SER 5 -2.147 -10.475 4.528 45 HB2 SER 5 1HB SER 5 0.457 -9.055 3.971 46 HB3 SER 5 2HB SER 5 0.200 -10.521 4.920 47 HG SER 5 HG SER 5 1.028 -10.964 2.814 48 H GLU 6 H GLU 6 -2.979 -9.665 6.296 49 HA GLU 6 HA GLU 6 -3.705 -7.234 7.033 50 HB2 GLU 6 1HB GLU 6 -4.146 -9.170 8.401 51 HB3 GLU 6 2HB GLU 6 -2.450 -9.294 8.849 52 HG2 GLU 6 1HG GLU 6 -3.641 -8.360 10.683 53 HG3 GLU 6 2HG GLU 6 -2.648 -7.088 9.975 54 H ASN 7 H ASN 7 -0.456 -8.432 7.969 55 HA ASN 7 HA ASN 7 0.174 -5.928 9.199 56 HB2 ASN 7 1HB ASN 7 1.803 -8.402 8.674 57 HB3 ASN 7 2HB ASN 7 2.471 -6.974 9.457 58 HD21 ASN 7 1HD2 ASN 7 1.780 -6.422 11.514 59 HD22 ASN 7 2HD2 ASN 7 0.928 -7.527 12.532 60 H VAL 8 H VAL 8 0.373 -7.068 6.035 61 HA VAL 8 HA VAL 8 2.609 -5.478 5.196 62 HB VAL 8 HB VAL 8 0.403 -6.815 3.614 63 HG11 VAL 8 1HG1 VAL 8 1.978 -6.448 1.681 64 HG12 VAL 8 2HG1 VAL 8 2.808 -5.264 2.690 65 HG13 VAL 8 3HG1 VAL 8 1.113 -5.028 2.256 66 HG21 VAL 8 3HG2 VAL 8 1.941 -8.338 4.750 67 HG22 VAL 8 1HG2 VAL 8 3.311 -7.523 3.994 68 HG23 VAL 8 2HG2 VAL 8 2.147 -8.401 2.999 69 H GLU 9 H GLU 9 -0.910 -5.197 5.002 70 HA GLU 9 HA GLU 9 -1.170 -2.753 3.722 71 HB2 GLU 9 1HB GLU 9 -3.039 -4.254 4.293 72 HB3 GLU 9 2HB GLU 9 -2.818 -3.893 5.997 73 HG2 GLU 9 1HG GLU 9 -3.429 -1.714 4.042 74 HG3 GLU 9 2HG GLU 9 -4.711 -2.742 4.673 75 H GLU 10 H GLU 10 -0.722 -3.463 7.128 76 HA GLU 10 HA GLU 10 -0.678 -0.923 8.223 77 HB2 GLU 10 1HB GLU 10 -0.699 -2.850 9.618 78 HB3 GLU 10 2HB GLU 10 0.790 -3.462 8.915 79 HG2 GLU 10 1HG GLU 10 1.928 -1.425 9.888 80 HG3 GLU 10 2HG GLU 10 0.438 -1.149 10.792 81 H LYS 11 H LYS 11 2.017 -2.795 6.836 82 HA LYS 11 HA LYS 11 3.848 -0.684 7.545 83 HB2 LYS 11 1HB LYS 11 4.212 -3.427 6.397 84 HB3 LYS 11 2HB LYS 11 5.547 -2.276 6.475 85 HG2 LYS 11 1HG LYS 11 5.255 -2.068 8.878 86 HG3 LYS 11 2HG LYS 11 3.890 -3.179 8.826 87 HD2 LYS 11 1HD LYS 11 5.321 -4.997 8.182 88 HD3 LYS 11 2HD LYS 11 6.699 -3.908 7.994 89 HE2 LYS 11 1HE LYS 11 6.843 -5.119 10.096 90 HE3 LYS 11 2HE LYS 11 6.615 -3.395 10.385 91 HZ1 LYS 11 3HZ LYS 11 4.560 -5.530 10.601 92 HZ2 LYS 11 1HZ LYS 11 4.211 -3.870 10.711 93 HZ3 LYS 11 2HZ LYS 11 5.213 -4.601 11.863 94 H LEU 12 H LEU 12 1.947 -1.349 4.828 95 HA LEU 12 HA LEU 12 3.588 0.037 2.948 96 HB2 LEU 12 1HB LEU 12 0.761 -0.820 3.077 97 HB3 LEU 12 2HB LEU 12 1.091 0.573 2.065 98 HG LEU 12 HG LEU 12 1.092 -1.539 0.797 99 HD11 LEU 12 1HD1 LEU 12 3.255 -1.239 -0.328 100 HD12 LEU 12 2HD1 LEU 12 3.760 -0.165 0.976 101 HD13 LEU 12 3HD1 LEU 12 2.406 0.283 -0.062 102 HD21 LEU 12 3HD2 LEU 12 2.773 -3.192 1.082 103 HD22 LEU 12 1HD2 LEU 12 1.983 -2.945 2.640 104 HD23 LEU 12 2HD2 LEU 12 3.573 -2.241 2.337 105 H LYS 13 H LYS 13 1.102 0.981 5.276 106 HA LYS 13 HA LYS 13 1.099 3.752 4.840 107 HB2 LYS 13 1HB LYS 13 -0.475 2.631 6.366 108 HB3 LYS 13 2HB LYS 13 0.851 2.235 7.450 109 HG2 LYS 13 1HG LYS 13 1.214 4.814 7.502 110 HG3 LYS 13 2HG LYS 13 -0.459 4.864 6.943 111 HD2 LYS 13 1HD LYS 13 -0.523 4.995 9.316 112 HD3 LYS 13 2HD LYS 13 -1.040 3.364 8.879 113 HE2 LYS 13 1HE LYS 13 0.489 3.207 10.738 114 HE3 LYS 13 2HE LYS 13 1.292 2.580 9.301 115 HZ1 LYS 13 3HZ LYS 13 2.891 3.908 10.220 116 HZ2 LYS 13 1HZ LYS 13 1.789 5.082 10.764 117 HZ3 LYS 13 2HZ LYS 13 2.173 4.985 9.121 118 H GLU 14 H GLU 14 3.172 1.682 6.759 119 HA GLU 14 HA GLU 14 4.805 3.608 7.950 120 HB2 GLU 14 1HB GLU 14 5.529 0.811 7.058 121 HB3 GLU 14 2HB GLU 14 6.433 1.782 8.210 122 HG2 GLU 14 1HG GLU 14 3.568 1.027 8.659 123 HG3 GLU 14 2HG GLU 14 4.908 -0.011 9.142 124 H PHE 15 H PHE 15 5.026 2.021 4.793 125 HA PHE 15 HA PHE 15 7.665 3.134 4.384 126 HB2 PHE 15 1HB PHE 15 6.757 0.775 3.704 127 HB3 PHE 15 2HB PHE 15 6.143 1.621 2.295 128 HD1 PHE 15 HD1 PHE 15 9.320 2.051 4.166 129 HD2 PHE 15 HD2 PHE 15 7.495 0.914 0.478 130 HE1 PHE 15 HE1 PHE 15 11.537 1.817 3.136 131 HE2 PHE 15 HE2 PHE 15 9.713 0.684 -0.540 132 HZ PHE 15 HZ PHE 15 11.736 1.137 0.782 133 H VAL 16 H VAL 16 4.406 3.645 3.173 134 HA VAL 16 HA VAL 16 5.318 5.427 1.089 135 HB VAL 16 HB VAL 16 2.504 4.887 2.049 136 HG11 VAL 16 1HG1 VAL 16 3.499 6.267 -0.442 137 HG12 VAL 16 2HG1 VAL 16 2.658 7.028 0.909 138 HG13 VAL 16 3HG1 VAL 16 1.819 5.852 -0.104 139 HG21 VAL 16 3HG2 VAL 16 4.028 3.770 -0.299 140 HG22 VAL 16 1HG2 VAL 16 2.331 3.461 0.073 141 HG23 VAL 16 2HG2 VAL 16 3.592 2.893 1.167 142 H LYS 17 H LYS 17 3.194 5.893 3.921 143 HA LYS 17 HA LYS 17 3.457 8.757 3.629 144 HB2 LYS 17 1HB LYS 17 1.304 8.337 4.240 145 HB3 LYS 17 2HB LYS 17 1.727 6.915 5.179 146 HG2 LYS 17 1HG LYS 17 2.081 8.101 7.082 147 HG3 LYS 17 2HG LYS 17 2.553 9.567 6.224 148 HD2 LYS 17 1HD LYS 17 0.361 9.779 7.365 149 HD3 LYS 17 2HD LYS 17 0.250 10.005 5.619 150 HE2 LYS 17 1HE LYS 17 -0.422 7.594 5.446 151 HE3 LYS 17 2HE LYS 17 -0.511 7.560 7.207 152 HZ1 LYS 17 3HZ LYS 17 -2.240 9.177 7.175 153 HZ2 LYS 17 1HZ LYS 17 -2.670 7.960 6.081 154 HZ3 LYS 17 2HZ LYS 17 -2.070 9.440 5.510 155 H ARG 18 H ARG 18 4.425 6.306 5.979 156 HA ARG 18 HA ARG 18 5.434 8.214 7.852 157 HB2 ARG 18 1HB ARG 18 4.521 5.886 8.332 158 HB3 ARG 18 2HB ARG 18 6.067 5.277 7.772 159 HG2 ARG 18 1HG ARG 18 7.229 6.246 9.538 160 HG3 ARG 18 2HG ARG 18 5.874 7.294 9.975 161 HD2 ARG 18 1HD ARG 18 4.569 5.282 10.587 162 HD3 ARG 18 2HD ARG 18 5.987 4.290 10.233 163 HE ARG 18 HE ARG 18 6.772 6.247 12.054 164 HH11 ARG 18 1HH1 ARG 18 4.664 3.456 11.932 165 HH12 ARG 18 2HH1 ARG 18 4.763 3.150 13.644 166 HH21 ARG 18 1HH2 ARG 18 6.929 5.837 14.293 167 HH22 ARG 18 2HH2 ARG 18 6.035 4.513 14.988 168 H HIS 19 H HIS 19 6.718 6.837 5.014 169 HA HIS 19 HA HIS 19 9.449 7.612 5.790 170 HB2 HIS 19 1HB HIS 19 8.379 5.805 3.641 171 HB3 HIS 19 2HB HIS 19 9.957 6.554 3.451 172 HD1 HIS 19 HD1 HIS 19 8.226 4.503 6.192 173 HD2 HIS 19 HD2 HIS 19 11.900 4.964 4.306 174 HE1 HIS 19 HE1 HIS 19 9.784 2.813 7.247 175 H GLN 20 H GLN 20 10.370 8.114 3.142 176 HA GLN 20 HA GLN 20 9.395 10.826 2.848 177 HB2 GLN 20 1HB GLN 20 11.577 9.346 1.371 178 HB3 GLN 20 2HB GLN 20 11.236 11.064 1.217 179 HG2 GLN 20 1HG GLN 20 12.148 9.648 3.714 180 HG3 GLN 20 2HG GLN 20 13.135 10.671 2.674 181 HE21 GLN 20 1HE2 GLN 20 12.833 12.903 2.712 182 HE22 GLN 20 2HE2 GLN 20 11.964 13.696 3.986 183 H ARG 21 H ARG 21 7.807 8.413 2.062 184 HA ARG 21 HA ARG 21 6.263 7.831 0.532 185 HB2 ARG 21 1HB ARG 21 5.801 10.229 0.284 186 HB3 ARG 21 2HB ARG 21 7.077 10.357 -0.918 187 HG2 ARG 21 1HG ARG 21 5.849 8.886 -2.411 188 HG3 ARG 21 2HG ARG 21 4.588 8.685 -1.195 189 HD2 ARG 21 1HD ARG 21 5.363 11.312 -2.456 190 HD3 ARG 21 2HD ARG 21 3.997 10.317 -2.957 191 HE ARG 21 HE ARG 21 3.422 10.649 -0.389 192 HH11 ARG 21 1HH1 ARG 21 4.600 13.002 -2.714 193 HH12 ARG 21 2HH1 ARG 21 3.725 14.323 -2.002 194 HH21 ARG 21 1HH2 ARG 21 2.285 12.400 0.551 195 HH22 ARG 21 2HH2 ARG 21 2.419 13.987 -0.158 196 H ILE 22 H ILE 22 6.113 6.620 -1.336 197 HA ILE 22 HA ILE 22 8.612 6.331 -2.845 198 HB ILE 22 HB ILE 22 8.446 4.471 -1.253 199 HG12 ILE 22 1HG1 ILE 22 7.897 3.541 -4.074 200 HG13 ILE 22 2HG1 ILE 22 9.449 4.160 -3.517 201 HG21 ILE 22 1HG2 ILE 22 6.650 2.748 -1.626 202 HG22 ILE 22 2HG2 ILE 22 5.793 3.961 -2.576 203 HG23 ILE 22 3HG2 ILE 22 6.121 4.247 -0.868 204 HD11 ILE 22 3HD1 ILE 22 9.409 1.726 -3.584 205 HD12 ILE 22 1HD1 ILE 22 8.056 1.715 -2.453 206 HD13 ILE 22 2HD1 ILE 22 9.629 2.328 -1.942 207 H THR 23 H THR 23 8.404 5.881 -5.016 208 HA THR 23 HA THR 23 6.086 6.888 -6.277 209 HB THR 23 HB THR 23 7.224 6.133 -8.385 210 HG1 THR 23 HG1 THR 23 9.624 5.585 -7.570 211 HG21 THR 23 3HG2 THR 23 7.635 8.348 -7.448 212 HG22 THR 23 1HG2 THR 23 9.110 7.696 -8.166 213 HG23 THR 23 2HG2 THR 23 8.903 7.691 -6.414 214 H GLN 24 H GLN 24 4.661 5.784 -7.731 215 HA GLN 24 HA GLN 24 3.533 3.508 -6.516 216 HB2 GLN 24 1HB GLN 24 2.217 5.189 -7.740 217 HB3 GLN 24 2HB GLN 24 2.965 4.676 -9.246 218 HG2 GLN 24 1HG GLN 24 1.941 2.496 -9.060 219 HG3 GLN 24 2HG GLN 24 1.278 2.916 -7.481 220 HE21 GLN 24 1HE2 GLN 24 -0.822 2.546 -8.154 221 HE22 GLN 24 2HE2 GLN 24 -1.666 3.628 -9.208 222 H GLU 25 H GLU 25 5.673 3.882 -9.277 223 HA GLU 25 HA GLU 25 5.349 1.279 -10.323 224 HB2 GLU 25 1HB GLU 25 6.378 3.101 -11.600 225 HB3 GLU 25 2HB GLU 25 7.738 3.122 -10.485 226 HG2 GLU 25 1HG GLU 25 8.469 0.980 -11.205 227 HG3 GLU 25 2HG GLU 25 6.991 0.720 -12.129 228 H GLU 26 H GLU 26 7.829 2.614 -8.126 229 HA GLU 26 HA GLU 26 9.090 0.119 -7.627 230 HB2 GLU 26 1HB GLU 26 9.011 2.562 -5.846 231 HB3 GLU 26 2HB GLU 26 10.170 1.247 -5.750 232 HG2 GLU 26 1HG GLU 26 9.875 3.195 -8.021 233 HG3 GLU 26 2HG GLU 26 11.139 3.206 -6.794 234 H LEU 27 H LEU 27 6.493 1.911 -6.119 235 HA LEU 27 HA LEU 27 6.098 0.457 -3.782 236 HB2 LEU 27 1HB LEU 27 4.990 2.622 -4.587 237 HB3 LEU 27 2HB LEU 27 3.887 1.603 -5.481 238 HG LEU 27 HG LEU 27 4.191 1.347 -2.494 239 HD11 LEU 27 1HD1 LEU 27 2.207 2.804 -2.322 240 HD12 LEU 27 2HD1 LEU 27 2.345 3.157 -4.043 241 HD13 LEU 27 3HD1 LEU 27 3.623 3.653 -2.936 242 HD21 LEU 27 3HD2 LEU 27 3.061 -0.489 -3.678 243 HD22 LEU 27 1HD2 LEU 27 1.936 0.667 -4.388 244 HD23 LEU 27 2HD2 LEU 27 1.945 0.404 -2.644 245 H HIS 28 H HIS 28 4.781 -0.087 -7.040 246 HA HIS 28 HA HIS 28 3.078 -2.214 -6.336 247 HB2 HIS 28 1HB HIS 28 3.163 -0.817 -8.521 248 HB3 HIS 28 2HB HIS 28 4.359 -1.999 -9.049 249 HD1 HIS 28 HD1 HIS 28 3.259 -4.653 -8.414 250 HD2 HIS 28 HD2 HIS 28 0.776 -1.502 -9.505 251 HE1 HIS 28 HE1 HIS 28 1.084 -5.691 -9.158 252 H GLN 29 H GLN 29 6.462 -2.133 -7.329 253 HA GLN 29 HA GLN 29 6.791 -4.945 -7.548 254 HB2 GLN 29 1HB GLN 29 8.889 -2.878 -6.851 255 HB3 GLN 29 2HB GLN 29 9.183 -4.499 -7.465 256 HG2 GLN 29 1HG GLN 29 7.835 -2.248 -8.937 257 HG3 GLN 29 2HG GLN 29 9.470 -2.845 -9.209 258 HE21 GLN 29 1HE2 GLN 29 8.652 -5.655 -8.869 259 HE22 GLN 29 2HE2 GLN 29 7.805 -6.073 -10.327 260 H TYR 30 H TYR 30 7.325 -2.629 -4.935 261 HA TYR 30 HA TYR 30 8.250 -4.491 -3.019 262 HB2 TYR 30 1HB TYR 30 8.504 -1.984 -2.935 263 HB3 TYR 30 2HB TYR 30 6.803 -1.886 -2.502 264 HD1 TYR 30 HD1 TYR 30 9.954 -3.549 -1.386 265 HD2 TYR 30 HD2 TYR 30 6.245 -1.799 -0.254 266 HE1 TYR 30 HE1 TYR 30 10.563 -3.800 0.981 267 HE2 TYR 30 HE2 TYR 30 6.850 -2.037 2.118 268 HH TYR 30 HH TYR 30 10.001 -2.796 3.141 269 H ALA 31 H ALA 31 5.082 -3.455 -4.043 270 HA ALA 31 HA ALA 31 3.508 -4.432 -1.950 271 HB1 ALA 31 3HB ALA 31 2.646 -2.982 -3.733 272 HB2 ALA 31 1HB ALA 31 1.676 -4.446 -3.578 273 HB3 ALA 31 2HB ALA 31 2.836 -4.293 -4.896 274 H GLN 32 H GLN 32 4.495 -6.000 -4.977 275 HA GLN 32 HA GLN 32 3.144 -8.438 -4.285 276 HB2 GLN 32 1HB GLN 32 5.073 -7.859 -6.536 277 HB3 GLN 32 2HB GLN 32 4.086 -9.307 -6.378 278 HG2 GLN 32 1HG GLN 32 2.062 -7.896 -6.479 279 HG3 GLN 32 2HG GLN 32 3.089 -6.492 -6.756 280 HE21 GLN 32 1HE2 GLN 32 1.769 -9.384 -8.100 281 HE22 GLN 32 2HE2 GLN 32 2.243 -9.077 -9.741 282 H ARG 33 H ARG 33 6.156 -7.089 -3.574 283 HA ARG 33 HA ARG 33 7.624 -9.484 -3.127 284 HB2 ARG 33 1HB ARG 33 8.804 -7.382 -3.319 285 HB3 ARG 33 2HB ARG 33 7.907 -6.705 -1.966 286 HG2 ARG 33 1HG ARG 33 8.968 -8.317 -0.460 287 HG3 ARG 33 2HG ARG 33 9.878 -8.981 -1.817 288 HD2 ARG 33 1HD ARG 33 10.037 -6.145 -0.800 289 HD3 ARG 33 2HD ARG 33 11.222 -7.414 -0.497 290 HE ARG 33 HE ARG 33 10.839 -7.107 -3.279 291 HH11 ARG 33 1HH1 ARG 33 12.353 -5.519 -0.529 292 HH12 ARG 33 2HH1 ARG 33 13.537 -4.700 -1.514 293 HH21 ARG 33 1HH2 ARG 33 12.360 -5.997 -4.554 294 HH22 ARG 33 2HH2 ARG 33 13.532 -4.964 -3.786 295 H LEU 34 H LEU 34 5.722 -7.355 -0.997 296 HA LEU 34 HA LEU 34 6.156 -9.058 1.278 297 HB2 LEU 34 1HB LEU 34 4.374 -6.660 0.888 298 HB3 LEU 34 2HB LEU 34 4.607 -7.486 2.411 299 HG LEU 34 HG LEU 34 6.706 -5.979 0.859 300 HD11 LEU 34 1HD1 LEU 34 5.094 -4.565 2.030 301 HD12 LEU 34 2HD1 LEU 34 6.686 -4.483 2.784 302 HD13 LEU 34 3HD1 LEU 34 5.407 -5.443 3.528 303 HD21 LEU 34 3HD2 LEU 34 7.692 -7.925 1.935 304 HD22 LEU 34 1HD2 LEU 34 6.928 -7.485 3.463 305 HD23 LEU 34 2HD2 LEU 34 8.172 -6.445 2.767 306 H GLY 35 H GLY 35 3.741 -8.771 -1.188 307 HA2 GLY 35 1HA GLY 35 2.426 -10.866 -1.439 308 HA3 GLY 35 2HA GLY 35 2.129 -10.761 0.287 309 H LEU 36 H LEU 36 2.003 -8.052 -1.989 310 HA LEU 36 HA LEU 36 -0.822 -7.735 -1.324 311 HB2 LEU 36 1HB LEU 36 1.090 -5.933 -2.804 312 HB3 LEU 36 2HB LEU 36 -0.623 -5.606 -2.646 313 HG LEU 36 HG LEU 36 1.396 -5.721 -0.415 314 HD11 LEU 36 1HD1 LEU 36 -0.271 -3.487 -1.554 315 HD12 LEU 36 2HD1 LEU 36 1.485 -3.652 -1.634 316 HD13 LEU 36 3HD1 LEU 36 0.694 -3.374 -0.083 317 HD21 LEU 36 3HD2 LEU 36 -0.452 -5.170 1.081 318 HD22 LEU 36 1HD2 LEU 36 -0.710 -6.732 0.304 319 HD23 LEU 36 2HD2 LEU 36 -1.587 -5.310 -0.261 320 H ASN 37 H ASN 37 -2.071 -6.774 -3.201 321 HA ASN 37 HA ASN 37 -1.560 -7.941 -5.781 322 HB2 ASN 37 1HB ASN 37 -3.702 -9.093 -5.968 323 HB3 ASN 37 2HB ASN 37 -2.793 -9.763 -4.625 324 HD21 ASN 37 1HD2 ASN 37 -3.454 -7.507 -2.854 325 HD22 ASN 37 2HD2 ASN 37 -5.097 -7.763 -2.382 326 H GLU 38 H GLU 38 -2.983 -6.990 -7.383 327 HA GLU 38 HA GLU 38 -2.971 -4.252 -7.133 328 HB2 GLU 38 1HB GLU 38 -4.681 -5.872 -9.022 329 HB3 GLU 38 2HB GLU 38 -4.228 -4.185 -9.226 330 HG2 GLU 38 1HG GLU 38 -2.716 -5.239 -10.594 331 HG3 GLU 38 2HG GLU 38 -1.795 -5.094 -9.094 332 H GLU 39 H GLU 39 -5.543 -6.460 -6.290 333 HA GLU 39 HA GLU 39 -7.691 -4.694 -6.055 334 HB2 GLU 39 1HB GLU 39 -7.812 -7.155 -5.875 335 HB3 GLU 39 2HB GLU 39 -7.003 -7.065 -4.317 336 HG2 GLU 39 1HG GLU 39 -9.330 -7.347 -3.927 337 HG3 GLU 39 2HG GLU 39 -8.907 -5.691 -3.493 338 H ALA 40 H ALA 40 -5.370 -5.758 -3.585 339 HA ALA 40 HA ALA 40 -6.234 -3.957 -1.575 340 HB1 ALA 40 3HB ALA 40 -4.985 -6.017 -1.073 341 HB2 ALA 40 1HB ALA 40 -4.207 -4.589 -0.389 342 HB3 ALA 40 2HB ALA 40 -3.559 -5.329 -1.851 343 H ILE 41 H ILE 41 -3.950 -3.766 -4.192 344 HA ILE 41 HA ILE 41 -2.534 -1.507 -3.264 345 HB ILE 41 HB ILE 41 -2.880 -2.441 -6.119 346 HG12 ILE 41 1HG1 ILE 41 -0.763 -3.099 -4.053 347 HG13 ILE 41 2HG1 ILE 41 -1.989 -4.204 -4.671 348 HG21 ILE 41 1HG2 ILE 41 -0.783 -1.244 -6.531 349 HG22 ILE 41 2HG2 ILE 41 -0.782 -0.675 -4.861 350 HG23 ILE 41 3HG2 ILE 41 -2.051 -0.153 -5.971 351 HD11 ILE 41 3HD1 ILE 41 0.174 -4.618 -5.687 352 HD12 ILE 41 1HD1 ILE 41 0.227 -2.958 -6.281 353 HD13 ILE 41 2HD1 ILE 41 -0.998 -4.072 -6.886 354 H ARG 42 H ARG 42 -5.319 -1.864 -5.467 355 HA ARG 42 HA ARG 42 -5.680 0.902 -5.933 356 HB2 ARG 42 1HB ARG 42 -6.828 -0.656 -7.357 357 HB3 ARG 42 2HB ARG 42 -7.654 -1.385 -5.985 358 HG2 ARG 42 1HG ARG 42 -8.784 0.807 -5.604 359 HG3 ARG 42 2HG ARG 42 -8.054 1.369 -7.107 360 HD2 ARG 42 1HD ARG 42 -9.235 -0.290 -8.372 361 HD3 ARG 42 2HD ARG 42 -9.845 -1.041 -6.895 362 HE ARG 42 HE ARG 42 -10.990 1.200 -6.535 363 HH11 ARG 42 1HH1 ARG 42 -10.283 -0.084 -9.718 364 HH12 ARG 42 2HH1 ARG 42 -11.631 0.709 -10.480 365 HH21 ARG 42 1HH2 ARG 42 -12.775 2.226 -7.523 366 HH22 ARG 42 2HH2 ARG 42 -13.059 2.012 -9.225 367 H GLN 43 H GLN 43 -7.084 -1.320 -3.561 368 HA GLN 43 HA GLN 43 -8.770 0.371 -2.184 369 HB2 GLN 43 1HB GLN 43 -8.583 -2.033 -1.702 370 HB3 GLN 43 2HB GLN 43 -6.971 -1.782 -1.046 371 HG2 GLN 43 1HG GLN 43 -8.030 -0.231 0.641 372 HG3 GLN 43 2HG GLN 43 -9.586 -0.848 0.090 373 HE21 GLN 43 1HE2 GLN 43 -10.169 -2.954 0.573 374 HE22 GLN 43 2HE2 GLN 43 -9.325 -3.896 1.759 375 H PHE 44 H PHE 44 -5.307 -0.130 -1.731 376 HA PHE 44 HA PHE 44 -5.054 1.501 0.547 377 HB2 PHE 44 1HB PHE 44 -3.469 -0.312 -0.348 378 HB3 PHE 44 2HB PHE 44 -2.827 0.951 -1.396 379 HD1 PHE 44 HD1 PHE 44 -3.522 0.171 2.161 380 HD2 PHE 44 HD2 PHE 44 -1.164 2.373 -0.615 381 HE1 PHE 44 HE1 PHE 44 -2.086 0.936 4.000 382 HE2 PHE 44 HE2 PHE 44 0.281 3.141 1.223 383 HZ PHE 44 HZ PHE 44 -0.182 2.422 3.530 384 H PHE 45 H PHE 45 -4.929 2.213 -2.888 385 HA PHE 45 HA PHE 45 -3.845 4.852 -2.444 386 HB2 PHE 45 1HB PHE 45 -4.667 3.303 -4.860 387 HB3 PHE 45 2HB PHE 45 -4.538 5.054 -4.975 388 HD1 PHE 45 HD1 PHE 45 -2.295 5.983 -3.817 389 HD2 PHE 45 HD2 PHE 45 -2.826 2.108 -5.490 390 HE1 PHE 45 HE1 PHE 45 0.134 5.802 -4.157 391 HE2 PHE 45 HE2 PHE 45 -0.395 1.923 -5.832 392 HZ PHE 45 HZ PHE 45 1.083 3.770 -5.168 393 H GLU 46 H GLU 46 -6.964 3.589 -3.647 394 HA GLU 46 HA GLU 46 -8.070 6.191 -3.929 395 HB2 GLU 46 1HB GLU 46 -10.018 5.133 -4.661 396 HB3 GLU 46 2HB GLU 46 -8.740 4.018 -5.104 397 HG2 GLU 46 1HG GLU 46 -9.255 2.683 -3.083 398 HG3 GLU 46 2HG GLU 46 -10.615 3.761 -2.774 399 H GLU 47 H GLU 47 -8.066 3.810 -1.403 400 HA GLU 47 HA GLU 47 -9.691 5.603 0.266 401 HB2 GLU 47 1HB GLU 47 -9.341 2.638 0.213 402 HB3 GLU 47 2HB GLU 47 -9.799 3.423 1.720 403 HG2 GLU 47 1HG GLU 47 -11.726 4.442 0.498 404 HG3 GLU 47 2HG GLU 47 -11.298 3.437 -0.887 405 H PHE 48 H PHE 48 -6.816 5.982 -0.171 406 HA PHE 48 HA PHE 48 -5.436 5.083 2.153 407 HB2 PHE 48 1HB PHE 48 -4.348 5.895 0.004 408 HB3 PHE 48 2HB PHE 48 -4.729 7.524 0.517 409 HD1 PHE 48 HD1 PHE 48 -3.141 4.460 1.924 410 HD2 PHE 48 HD2 PHE 48 -3.058 8.698 1.570 411 HE1 PHE 48 HE1 PHE 48 -1.059 4.527 3.233 412 HE2 PHE 48 HE2 PHE 48 -0.975 8.771 2.873 413 HZ PHE 48 HZ PHE 48 0.026 6.681 3.707 414 H GLU 49 H GLU 49 -5.979 8.522 1.427 415 HA GLU 49 HA GLU 49 -7.616 8.872 3.776 416 HB2 GLU 49 1HB GLU 49 -6.194 10.536 4.824 417 HB3 GLU 49 2HB GLU 49 -5.316 9.022 4.671 418 HG2 GLU 49 1HG GLU 49 -4.097 9.872 2.770 419 HG3 GLU 49 2HG GLU 49 -5.028 11.372 2.802 420 H GLN 50 H GLN 50 -7.350 9.311 0.708 421 HA GLN 50 HA GLN 50 -8.050 12.165 0.618 422 HB2 GLN 50 1HB GLN 50 -7.294 10.387 -1.712 423 HB3 GLN 50 2HB GLN 50 -7.431 12.137 -1.712 424 HG2 GLN 50 1HG GLN 50 -5.135 11.692 -1.728 425 HG3 GLN 50 2HG GLN 50 -5.498 12.141 -0.059 426 HE21 GLN 50 1HE2 GLN 50 -3.596 11.100 0.578 427 HE22 GLN 50 2HE2 GLN 50 -3.519 9.381 0.712 428 H ARG 51 H ARG 51 -9.535 9.649 1.294 429 HA ARG 51 HA ARG 51 -11.258 8.712 -0.628 430 HB2 ARG 51 1HB ARG 51 -11.787 9.143 2.308 431 HB3 ARG 51 2HB ARG 51 -12.712 8.082 1.260 432 HG2 ARG 51 1HG ARG 51 -11.082 6.492 1.216 433 HG3 ARG 51 2HG ARG 51 -9.785 7.663 1.461 434 HD2 ARG 51 1HD ARG 51 -10.261 7.857 3.760 435 HD3 ARG 51 2HD ARG 51 -11.799 7.013 3.589 436 HE ARG 51 HE ARG 51 -9.318 5.553 3.033 437 HH11 ARG 51 1HH1 ARG 51 -12.084 6.147 5.078 438 HH12 ARG 51 2HH1 ARG 51 -11.910 4.676 5.985 439 HH21 ARG 51 1HH2 ARG 51 -9.030 3.623 4.244 440 HH22 ARG 51 2HH2 ARG 51 -10.154 3.234 5.515 441 H LYS 52 H LYS 52 -13.079 9.382 -1.573 442 HA LYS 52 HA LYS 52 -14.578 11.594 -0.413 443 HB2 LYS 52 1HB LYS 52 -14.834 12.638 -2.675 444 HB3 LYS 52 2HB LYS 52 -13.219 12.756 -1.995 445 HG2 LYS 52 1HG LYS 52 -12.413 11.037 -3.452 446 HG3 LYS 52 2HG LYS 52 -14.046 10.698 -4.031 447 HD2 LYS 52 1HD LYS 52 -14.150 13.037 -4.891 448 HD3 LYS 52 2HD LYS 52 -12.452 13.223 -4.448 449 HE2 LYS 52 1HE LYS 52 -11.826 11.450 -5.967 450 HE3 LYS 52 2HE LYS 52 -13.520 11.141 -6.348 451 HZ1 LYS 52 3HZ LYS 52 -11.979 13.602 -6.975 452 HZ2 LYS 52 1HZ LYS 52 -13.646 13.424 -7.233 453 HZ3 LYS 52 2HZ LYS 52 -12.548 12.451 -8.079 Start of MODEL 2 1 H1 MET 1 1H MET 1 -12.182 -6.342 7.137 2 H2 MET 1 2H MET 1 -11.635 -4.868 6.501 3 H3 MET 1 3H MET 1 -12.439 -4.899 7.991 4 HA MET 1 HA MET 1 -10.116 -4.632 8.380 5 HB2 MET 1 1HB MET 1 -11.049 -7.453 8.974 6 HB3 MET 1 2HB MET 1 -9.697 -6.654 9.760 7 HG2 MET 1 1HG MET 1 -12.581 -5.799 9.903 8 HG3 MET 1 2HG MET 1 -11.676 -6.635 11.164 9 HE1 MET 1 3HE MET 1 -9.719 -5.541 12.567 10 HE2 MET 1 1HE MET 1 -9.058 -3.936 12.242 11 HE3 MET 1 2HE MET 1 -8.845 -5.232 11.065 12 H LYS 2 H LYS 2 -8.446 -6.988 8.650 13 HA LYS 2 HA LYS 2 -6.837 -6.735 6.405 14 HB2 LYS 2 1HB LYS 2 -6.964 -9.214 8.113 15 HB3 LYS 2 2HB LYS 2 -5.571 -8.559 7.268 16 HG2 LYS 2 1HG LYS 2 -5.432 -6.717 8.791 17 HG3 LYS 2 2HG LYS 2 -6.949 -7.186 9.563 18 HD2 LYS 2 1HD LYS 2 -4.362 -8.741 9.564 19 HD3 LYS 2 2HD LYS 2 -5.092 -7.901 10.935 20 HE2 LYS 2 1HE LYS 2 -7.006 -9.408 10.854 21 HE3 LYS 2 2HE LYS 2 -6.315 -10.226 9.452 22 HZ1 LYS 2 3HZ LYS 2 -5.818 -11.527 11.341 23 HZ2 LYS 2 1HZ LYS 2 -5.257 -10.186 12.221 24 HZ3 LYS 2 2HZ LYS 2 -4.371 -10.761 10.895 25 H GLN 3 H GLN 3 -7.051 -7.443 4.388 26 HA GLN 3 HA GLN 3 -8.466 -9.979 3.888 27 HB2 GLN 3 1HB GLN 3 -8.777 -7.412 2.313 28 HB3 GLN 3 2HB GLN 3 -9.427 -8.968 1.820 29 HG2 GLN 3 1HG GLN 3 -10.149 -7.668 4.425 30 HG3 GLN 3 2HG GLN 3 -11.025 -7.356 2.928 31 HE21 GLN 3 1HE2 GLN 3 -10.257 -9.732 5.367 32 HE22 GLN 3 2HE2 GLN 3 -11.522 -10.842 4.955 33 H TRP 4 H TRP 4 -5.589 -8.947 3.994 34 HA TRP 4 HA TRP 4 -4.624 -10.198 1.587 35 HB2 TRP 4 1HB TRP 4 -3.068 -8.039 1.365 36 HB3 TRP 4 2HB TRP 4 -4.625 -8.117 0.548 37 HD1 TRP 4 HD1 TRP 4 -2.967 -6.514 3.603 38 HE1 TRP 4 HE1 TRP 4 -4.348 -4.476 4.338 39 HE3 TRP 4 HE3 TRP 4 -6.874 -7.053 0.415 40 HZ2 TRP 4 HZ2 TRP 4 -6.794 -3.259 3.638 41 HZ3 TRP 4 HZ3 TRP 4 -8.712 -5.413 0.497 42 HH2 TRP 4 HH2 TRP 4 -8.667 -3.555 2.076 43 H SER 5 H SER 5 -1.940 -9.586 1.901 44 HA SER 5 HA SER 5 -1.171 -10.912 4.226 45 HB2 SER 5 1HB SER 5 0.458 -8.836 2.734 46 HB3 SER 5 2HB SER 5 1.082 -10.082 3.808 47 HG SER 5 HG SER 5 1.162 -10.522 1.476 48 H GLU 6 H GLU 6 -1.862 -10.284 6.167 49 HA GLU 6 HA GLU 6 -2.616 -7.925 7.206 50 HB2 GLU 6 1HB GLU 6 -2.647 -10.000 8.470 51 HB3 GLU 6 2HB GLU 6 -0.892 -9.990 8.577 52 HG2 GLU 6 1HG GLU 6 -1.062 -7.850 9.852 53 HG3 GLU 6 2HG GLU 6 -2.811 -8.076 9.875 54 H ASN 7 H ASN 7 0.743 -9.013 7.007 55 HA ASN 7 HA ASN 7 1.971 -6.886 8.306 56 HB2 ASN 7 1HB ASN 7 3.086 -9.016 7.671 57 HB3 ASN 7 2HB ASN 7 3.080 -8.483 5.993 58 HD21 ASN 7 1HD2 ASN 7 5.296 -8.525 5.820 59 HD22 ASN 7 2HD2 ASN 7 6.317 -7.373 6.603 60 H VAL 8 H VAL 8 0.455 -6.965 5.203 61 HA VAL 8 HA VAL 8 2.063 -4.897 4.027 62 HB VAL 8 HB VAL 8 -0.556 -6.160 3.248 63 HG11 VAL 8 1HG1 VAL 8 0.894 -3.992 1.736 64 HG12 VAL 8 2HG1 VAL 8 -0.606 -3.767 2.637 65 HG13 VAL 8 3HG1 VAL 8 -0.574 -4.833 1.231 66 HG21 VAL 8 3HG2 VAL 8 0.748 -6.980 1.356 67 HG22 VAL 8 1HG2 VAL 8 1.473 -7.462 2.889 68 HG23 VAL 8 2HG2 VAL 8 2.172 -6.133 1.963 69 H GLU 9 H GLU 9 -1.181 -5.035 5.466 70 HA GLU 9 HA GLU 9 -1.971 -2.430 4.954 71 HB2 GLU 9 1HB GLU 9 -3.417 -4.252 5.863 72 HB3 GLU 9 2HB GLU 9 -2.632 -4.038 7.424 73 HG2 GLU 9 1HG GLU 9 -3.438 -1.717 7.491 74 HG3 GLU 9 2HG GLU 9 -4.267 -1.981 5.958 75 H GLU 10 H GLU 10 -0.250 -3.721 7.765 76 HA GLU 10 HA GLU 10 0.019 -1.236 9.093 77 HB2 GLU 10 1HB GLU 10 0.222 -3.168 10.430 78 HB3 GLU 10 2HB GLU 10 1.413 -3.888 9.356 79 HG2 GLU 10 1HG GLU 10 3.054 -2.231 10.026 80 HG3 GLU 10 2HG GLU 10 1.860 -1.455 11.072 81 H LYS 11 H LYS 11 2.499 -3.197 7.404 82 HA LYS 11 HA LYS 11 4.466 -1.215 7.874 83 HB2 LYS 11 1HB LYS 11 4.986 -3.601 7.726 84 HB3 LYS 11 2HB LYS 11 4.572 -3.587 6.015 85 HG2 LYS 11 1HG LYS 11 6.413 -2.162 5.504 86 HG3 LYS 11 2HG LYS 11 6.750 -1.893 7.215 87 HD2 LYS 11 1HD LYS 11 6.979 -4.527 5.757 88 HD3 LYS 11 2HD LYS 11 8.325 -3.488 6.227 89 HE2 LYS 11 1HE LYS 11 6.400 -4.906 8.066 90 HE3 LYS 11 2HE LYS 11 8.102 -5.291 7.814 91 HZ1 LYS 11 3HZ LYS 11 6.975 -2.869 9.109 92 HZ2 LYS 11 1HZ LYS 11 8.609 -3.014 8.674 93 HZ3 LYS 11 2HZ LYS 11 7.936 -4.067 9.817 94 H LEU 12 H LEU 12 2.515 -2.010 5.023 95 HA LEU 12 HA LEU 12 3.946 -0.334 3.243 96 HB2 LEU 12 1HB LEU 12 2.401 -2.055 2.446 97 HB3 LEU 12 2HB LEU 12 1.052 -1.189 3.155 98 HG LEU 12 HG LEU 12 1.511 0.704 1.599 99 HD11 LEU 12 1HD1 LEU 12 3.865 0.288 1.183 100 HD12 LEU 12 2HD1 LEU 12 2.963 0.287 -0.334 101 HD13 LEU 12 3HD1 LEU 12 3.476 -1.239 0.391 102 HD21 LEU 12 3HD2 LEU 12 0.594 -0.393 -0.373 103 HD22 LEU 12 1HD2 LEU 12 -0.192 -0.975 1.094 104 HD23 LEU 12 2HD2 LEU 12 1.026 -1.967 0.292 105 H LYS 13 H LYS 13 1.141 0.214 5.349 106 HA LYS 13 HA LYS 13 0.621 2.859 4.620 107 HB2 LYS 13 1HB LYS 13 -0.804 1.446 6.111 108 HB3 LYS 13 2HB LYS 13 0.382 1.662 7.386 109 HG2 LYS 13 1HG LYS 13 -0.819 4.077 6.120 110 HG3 LYS 13 2HG LYS 13 -1.777 3.146 7.267 111 HD2 LYS 13 1HD LYS 13 0.948 4.330 7.811 112 HD3 LYS 13 2HD LYS 13 -0.590 5.004 8.351 113 HE2 LYS 13 1HE LYS 13 0.515 2.299 9.124 114 HE3 LYS 13 2HE LYS 13 0.522 3.737 10.143 115 HZ1 LYS 13 3HZ LYS 13 -1.880 2.281 9.159 116 HZ2 LYS 13 1HZ LYS 13 -1.927 3.728 10.051 117 HZ3 LYS 13 2HZ LYS 13 -1.299 2.315 10.750 118 H GLU 14 H GLU 14 2.864 1.539 7.023 119 HA GLU 14 HA GLU 14 3.817 4.087 7.868 120 HB2 GLU 14 1HB GLU 14 5.195 1.413 8.122 121 HB3 GLU 14 2HB GLU 14 5.520 2.860 9.068 122 HG2 GLU 14 1HG GLU 14 3.203 2.727 9.955 123 HG3 GLU 14 2HG GLU 14 3.018 1.185 9.114 124 H PHE 15 H PHE 15 4.689 1.915 5.294 125 HA PHE 15 HA PHE 15 7.260 3.079 4.832 126 HB2 PHE 15 1HB PHE 15 6.653 0.725 4.295 127 HB3 PHE 15 2HB PHE 15 5.586 1.324 3.034 128 HD1 PHE 15 HD1 PHE 15 9.113 1.934 4.100 129 HD2 PHE 15 HD2 PHE 15 6.425 1.063 0.922 130 HE1 PHE 15 HE1 PHE 15 11.001 1.879 2.526 131 HE2 PHE 15 HE2 PHE 15 8.309 1.006 -0.657 132 HZ PHE 15 HZ PHE 15 10.599 1.413 0.143 133 H VAL 16 H VAL 16 4.005 3.683 3.751 134 HA VAL 16 HA VAL 16 4.923 5.539 1.704 135 HB VAL 16 HB VAL 16 2.106 4.906 2.625 136 HG11 VAL 16 1HG1 VAL 16 3.082 6.532 0.277 137 HG12 VAL 16 2HG1 VAL 16 2.203 7.131 1.684 138 HG13 VAL 16 3HG1 VAL 16 1.410 6.042 0.547 139 HG21 VAL 16 3HG2 VAL 16 3.637 4.003 0.185 140 HG22 VAL 16 1HG2 VAL 16 1.937 3.668 0.512 141 HG23 VAL 16 2HG2 VAL 16 3.185 3.000 1.564 142 H LYS 17 H LYS 17 3.358 5.619 4.884 143 HA LYS 17 HA LYS 17 3.112 8.501 4.846 144 HB2 LYS 17 1HB LYS 17 2.605 6.495 7.045 145 HB3 LYS 17 2HB LYS 17 2.236 8.211 7.142 146 HG2 LYS 17 1HG LYS 17 1.066 6.391 5.064 147 HG3 LYS 17 2HG LYS 17 0.301 6.693 6.621 148 HD2 LYS 17 1HD LYS 17 0.980 8.773 4.537 149 HD3 LYS 17 2HD LYS 17 -0.630 8.143 4.885 150 HE2 LYS 17 1HE LYS 17 -0.462 9.034 7.174 151 HE3 LYS 17 2HE LYS 17 1.125 9.698 6.786 152 HZ1 LYS 17 3HZ LYS 17 -0.662 11.342 6.631 153 HZ2 LYS 17 1HZ LYS 17 -1.408 10.422 5.416 154 HZ3 LYS 17 2HZ LYS 17 0.118 11.116 5.143 155 H ARG 18 H ARG 18 4.883 6.171 6.862 156 HA ARG 18 HA ARG 18 6.303 8.389 8.131 157 HB2 ARG 18 1HB ARG 18 6.253 5.450 8.844 158 HB3 ARG 18 2HB ARG 18 6.939 6.744 9.818 159 HG2 ARG 18 1HG ARG 18 4.763 7.688 10.197 160 HG3 ARG 18 2HG ARG 18 4.028 6.542 9.074 161 HD2 ARG 18 1HD ARG 18 3.654 5.862 11.381 162 HD3 ARG 18 2HD ARG 18 4.665 4.694 10.530 163 HE ARG 18 HE ARG 18 5.943 6.754 12.181 164 HH11 ARG 18 1HH1 ARG 18 5.094 3.380 11.725 165 HH12 ARG 18 2HH1 ARG 18 6.266 2.805 12.859 166 HH21 ARG 18 1HH2 ARG 18 7.469 6.001 13.687 167 HH22 ARG 18 2HH2 ARG 18 7.601 4.290 13.998 168 H HIS 19 H HIS 19 6.875 7.184 5.385 169 HA HIS 19 HA HIS 19 9.738 6.896 5.816 170 HB2 HIS 19 1HB HIS 19 7.974 4.862 4.524 171 HB3 HIS 19 2HB HIS 19 9.624 5.055 3.942 172 HD1 HIS 19 HD1 HIS 19 7.641 3.712 6.805 173 HD2 HIS 19 HD2 HIS 19 11.623 4.260 5.750 174 HE1 HIS 19 HE1 HIS 19 9.000 2.332 8.430 175 H GLN 20 H GLN 20 9.488 5.912 2.843 176 HA GLN 20 HA GLN 20 10.556 8.333 1.841 177 HB2 GLN 20 1HB GLN 20 9.782 5.785 0.422 178 HB3 GLN 20 2HB GLN 20 10.742 7.082 -0.283 179 HG2 GLN 20 1HG GLN 20 11.526 5.523 2.170 180 HG3 GLN 20 2HG GLN 20 12.076 5.165 0.533 181 HE21 GLN 20 1HE2 GLN 20 13.527 6.513 -0.452 182 HE22 GLN 20 2HE2 GLN 20 14.438 7.702 0.410 183 H ARG 21 H ARG 21 7.336 7.238 2.014 184 HA ARG 21 HA ARG 21 5.406 7.648 0.879 185 HB2 ARG 21 1HB ARG 21 5.913 9.971 1.624 186 HB3 ARG 21 2HB ARG 21 6.783 10.239 0.122 187 HG2 ARG 21 1HG ARG 21 4.774 10.028 -1.157 188 HG3 ARG 21 2HG ARG 21 3.864 9.521 0.268 189 HD2 ARG 21 1HD ARG 21 5.194 12.205 -0.068 190 HD3 ARG 21 2HD ARG 21 3.482 11.888 -0.341 191 HE ARG 21 HE ARG 21 3.741 11.021 2.158 192 HH11 ARG 21 1HH1 ARG 21 4.920 13.951 0.662 193 HH12 ARG 21 2HH1 ARG 21 4.874 14.875 2.134 194 HH21 ARG 21 1HH2 ARG 21 3.632 12.226 4.080 195 HH22 ARG 21 2HH2 ARG 21 4.132 13.891 4.088 196 H ILE 22 H ILE 22 6.179 5.893 -0.411 197 HA ILE 22 HA ILE 22 7.725 6.359 -2.765 198 HB ILE 22 HB ILE 22 7.911 4.330 -1.311 199 HG12 ILE 22 1HG1 ILE 22 7.288 3.622 -4.178 200 HG13 ILE 22 2HG1 ILE 22 8.757 4.460 -3.681 201 HG21 ILE 22 1HG2 ILE 22 5.781 3.617 -0.781 202 HG22 ILE 22 2HG2 ILE 22 6.258 2.461 -2.022 203 HG23 ILE 22 3HG2 ILE 22 5.195 3.806 -2.430 204 HD11 ILE 22 3HD1 ILE 22 7.879 1.717 -2.823 205 HD12 ILE 22 1HD1 ILE 22 9.311 2.559 -2.226 206 HD13 ILE 22 2HD1 ILE 22 9.195 2.109 -3.931 207 H THR 23 H THR 23 7.136 5.976 -4.916 208 HA THR 23 HA THR 23 4.405 6.685 -5.534 209 HB THR 23 HB THR 23 5.463 6.552 -7.943 210 HG1 THR 23 HG1 THR 23 7.541 6.155 -7.938 211 HG21 THR 23 3HG2 THR 23 6.271 8.661 -5.934 212 HG22 THR 23 1HG2 THR 23 4.745 8.613 -6.817 213 HG23 THR 23 2HG2 THR 23 6.261 8.854 -7.687 214 H GLN 24 H GLN 24 3.325 5.565 -7.421 215 HA GLN 24 HA GLN 24 2.600 3.025 -6.558 216 HB2 GLN 24 1HB GLN 24 1.166 4.505 -7.903 217 HB3 GLN 24 2HB GLN 24 2.190 4.219 -9.303 218 HG2 GLN 24 1HG GLN 24 1.635 1.792 -9.110 219 HG3 GLN 24 2HG GLN 24 0.469 2.222 -7.859 220 HE21 GLN 24 1HE2 GLN 24 1.125 4.216 -10.647 221 HE22 GLN 24 2HE2 GLN 24 -0.396 3.972 -11.427 222 H GLU 25 H GLU 25 4.740 3.891 -9.261 223 HA GLU 25 HA GLU 25 4.924 1.394 -10.465 224 HB2 GLU 25 1HB GLU 25 5.803 3.543 -11.376 225 HB3 GLU 25 2HB GLU 25 7.138 3.433 -10.237 226 HG2 GLU 25 1HG GLU 25 7.887 2.668 -12.366 227 HG3 GLU 25 2HG GLU 25 7.784 1.285 -11.276 228 H GLU 26 H GLU 26 7.231 2.818 -8.166 229 HA GLU 26 HA GLU 26 8.684 0.389 -7.849 230 HB2 GLU 26 1HB GLU 26 8.718 2.987 -6.309 231 HB3 GLU 26 2HB GLU 26 9.854 1.669 -6.045 232 HG2 GLU 26 1HG GLU 26 10.982 2.057 -7.979 233 HG3 GLU 26 2HG GLU 26 9.556 2.664 -8.817 234 H LEU 27 H LEU 27 5.948 1.822 -6.307 235 HA LEU 27 HA LEU 27 5.993 0.370 -3.882 236 HB2 LEU 27 1HB LEU 27 4.587 2.402 -4.399 237 HB3 LEU 27 2HB LEU 27 3.565 1.375 -5.375 238 HG LEU 27 HG LEU 27 3.992 0.721 -2.475 239 HD11 LEU 27 1HD1 LEU 27 1.995 2.685 -3.587 240 HD12 LEU 27 2HD1 LEU 27 3.348 3.066 -2.522 241 HD13 LEU 27 3HD1 LEU 27 2.020 2.064 -1.937 242 HD21 LEU 27 3HD2 LEU 27 2.863 -0.924 -3.896 243 HD22 LEU 27 1HD2 LEU 27 1.688 0.296 -4.386 244 HD23 LEU 27 2HD2 LEU 27 1.752 -0.242 -2.708 245 H HIS 28 H HIS 28 4.522 -0.262 -7.056 246 HA HIS 28 HA HIS 28 3.154 -2.602 -6.283 247 HB2 HIS 28 1HB HIS 28 2.724 -1.261 -8.382 248 HB3 HIS 28 2HB HIS 28 4.162 -2.011 -9.069 249 HD1 HIS 28 HD1 HIS 28 4.028 -4.772 -9.111 250 HD2 HIS 28 HD2 HIS 28 0.461 -2.682 -8.727 251 HE1 HIS 28 HE1 HIS 28 2.194 -6.427 -9.552 252 H GLN 29 H GLN 29 6.393 -2.082 -7.575 253 HA GLN 29 HA GLN 29 7.140 -4.767 -7.866 254 HB2 GLN 29 1HB GLN 29 8.515 -2.971 -8.727 255 HB3 GLN 29 2HB GLN 29 8.786 -2.349 -7.108 256 HG2 GLN 29 1HG GLN 29 10.758 -3.462 -7.699 257 HG3 GLN 29 2HG GLN 29 9.922 -4.535 -6.586 258 HE21 GLN 29 1HE2 GLN 29 8.015 -5.429 -8.647 259 HE22 GLN 29 2HE2 GLN 29 8.906 -6.501 -9.668 260 H TYR 30 H TYR 30 7.230 -2.597 -5.091 261 HA TYR 30 HA TYR 30 8.346 -4.523 -3.295 262 HB2 TYR 30 1HB TYR 30 8.552 -2.046 -3.018 263 HB3 TYR 30 2HB TYR 30 6.829 -1.974 -2.679 264 HD1 TYR 30 HD1 TYR 30 9.735 -4.010 -1.485 265 HD2 TYR 30 HD2 TYR 30 6.325 -1.685 -0.461 266 HE1 TYR 30 HE1 TYR 30 10.201 -4.386 0.898 267 HE2 TYR 30 HE2 TYR 30 6.784 -2.050 1.927 268 HH TYR 30 HH TYR 30 9.721 -3.266 3.060 269 H ALA 31 H ALA 31 5.253 -3.987 -4.608 270 HA ALA 31 HA ALA 31 3.696 -4.876 -2.384 271 HB1 ALA 31 3HB ALA 31 2.741 -3.400 -4.078 272 HB2 ALA 31 1HB ALA 31 1.828 -4.905 -3.974 273 HB3 ALA 31 2HB ALA 31 2.959 -4.649 -5.302 274 H GLN 32 H GLN 32 4.628 -6.324 -5.495 275 HA GLN 32 HA GLN 32 3.506 -8.864 -5.017 276 HB2 GLN 32 1HB GLN 32 4.541 -9.495 -7.001 277 HB3 GLN 32 2HB GLN 32 4.499 -7.751 -7.158 278 HG2 GLN 32 1HG GLN 32 6.610 -8.226 -7.873 279 HG3 GLN 32 2HG GLN 32 6.877 -7.823 -6.180 280 HE21 GLN 32 1HE2 GLN 32 8.807 -8.992 -6.141 281 HE22 GLN 32 2HE2 GLN 32 8.824 -10.727 -6.128 282 H ARG 33 H ARG 33 6.512 -7.394 -4.250 283 HA ARG 33 HA ARG 33 7.948 -9.561 -3.231 284 HB2 ARG 33 1HB ARG 33 8.947 -7.401 -3.726 285 HB3 ARG 33 2HB ARG 33 8.000 -6.643 -2.457 286 HG2 ARG 33 1HG ARG 33 9.199 -7.857 -0.770 287 HG3 ARG 33 2HG ARG 33 10.083 -8.762 -2.006 288 HD2 ARG 33 1HD ARG 33 11.116 -6.738 -2.806 289 HD3 ARG 33 2HD ARG 33 10.153 -5.769 -1.691 290 HE ARG 33 HE ARG 33 11.493 -7.510 -0.076 291 HH11 ARG 33 1HH1 ARG 33 12.447 -5.211 -2.547 292 HH12 ARG 33 2HH1 ARG 33 13.959 -4.817 -1.782 293 HH21 ARG 33 1HH2 ARG 33 13.490 -7.031 0.911 294 HH22 ARG 33 2HH2 ARG 33 14.569 -5.891 0.167 295 H LEU 34 H LEU 34 5.464 -7.556 -1.720 296 HA LEU 34 HA LEU 34 5.863 -8.831 0.866 297 HB2 LEU 34 1HB LEU 34 3.968 -6.694 -0.082 298 HB3 LEU 34 2HB LEU 34 3.965 -7.336 1.543 299 HG LEU 34 HG LEU 34 6.204 -5.792 0.238 300 HD11 LEU 34 1HD1 LEU 34 4.356 -5.103 2.522 301 HD12 LEU 34 2HD1 LEU 34 4.270 -4.441 0.890 302 HD13 LEU 34 3HD1 LEU 34 5.670 -4.101 1.907 303 HD21 LEU 34 3HD2 LEU 34 7.301 -5.907 2.420 304 HD22 LEU 34 1HD2 LEU 34 7.084 -7.515 1.730 305 HD23 LEU 34 2HD2 LEU 34 6.014 -6.955 3.015 306 H GLY 35 H GLY 35 4.455 -9.862 -1.839 307 HA2 GLY 35 1HA GLY 35 2.910 -11.543 -2.207 308 HA3 GLY 35 2HA GLY 35 2.638 -11.621 -0.476 309 H LEU 36 H LEU 36 2.317 -8.772 -2.514 310 HA LEU 36 HA LEU 36 -0.330 -8.393 -1.437 311 HB2 LEU 36 1HB LEU 36 1.683 -6.702 -2.723 312 HB3 LEU 36 2HB LEU 36 0.027 -6.329 -3.160 313 HG LEU 36 HG LEU 36 1.113 -6.410 -0.347 314 HD11 LEU 36 1HD1 LEU 36 1.907 -4.479 -1.601 315 HD12 LEU 36 2HD1 LEU 36 0.713 -3.994 -0.399 316 HD13 LEU 36 3HD1 LEU 36 0.257 -4.105 -2.099 317 HD21 LEU 36 3HD2 LEU 36 -1.624 -5.797 -1.442 318 HD22 LEU 36 1HD2 LEU 36 -1.110 -5.450 0.209 319 HD23 LEU 36 2HD2 LEU 36 -1.173 -7.116 -0.360 320 H ASN 37 H ASN 37 -2.153 -8.461 -2.408 321 HA ASN 37 HA ASN 37 -2.393 -9.127 -5.228 322 HB2 ASN 37 1HB ASN 37 -4.913 -8.982 -4.521 323 HB3 ASN 37 2HB ASN 37 -3.948 -10.358 -3.985 324 HD21 ASN 37 1HD2 ASN 37 -4.933 -7.097 -2.969 325 HD22 ASN 37 2HD2 ASN 37 -5.075 -7.494 -1.290 326 H GLU 38 H GLU 38 -3.694 -7.758 -6.636 327 HA GLU 38 HA GLU 38 -2.888 -5.046 -6.401 328 HB2 GLU 38 1HB GLU 38 -3.376 -6.489 -8.507 329 HB3 GLU 38 2HB GLU 38 -5.039 -5.968 -8.278 330 HG2 GLU 38 1HG GLU 38 -4.346 -3.642 -8.443 331 HG3 GLU 38 2HG GLU 38 -2.668 -4.152 -8.647 332 H GLU 39 H GLU 39 -5.582 -6.751 -5.240 333 HA GLU 39 HA GLU 39 -7.635 -4.929 -5.129 334 HB2 GLU 39 1HB GLU 39 -8.413 -6.841 -4.251 335 HB3 GLU 39 2HB GLU 39 -6.813 -7.345 -3.738 336 HG2 GLU 39 1HG GLU 39 -7.031 -6.341 -1.634 337 HG3 GLU 39 2HG GLU 39 -8.388 -5.333 -2.165 338 H ALA 40 H ALA 40 -4.976 -5.337 -2.820 339 HA ALA 40 HA ALA 40 -5.856 -3.015 -1.324 340 HB1 ALA 40 3HB ALA 40 -4.019 -3.541 0.191 341 HB2 ALA 40 1HB ALA 40 -3.455 -4.790 -0.915 342 HB3 ALA 40 2HB ALA 40 -5.015 -4.967 -0.114 343 H ILE 41 H ILE 41 -3.485 -3.905 -3.696 344 HA ILE 41 HA ILE 41 -1.645 -1.848 -3.360 345 HB ILE 41 HB ILE 41 -2.452 -3.166 -5.957 346 HG12 ILE 41 1HG1 ILE 41 -0.231 -3.830 -4.006 347 HG13 ILE 41 2HG1 ILE 41 -1.694 -4.779 -4.263 348 HG21 ILE 41 1HG2 ILE 41 0.013 -1.583 -5.235 349 HG22 ILE 41 2HG2 ILE 41 -1.253 -1.094 -6.359 350 HG23 ILE 41 3HG2 ILE 41 -0.216 -2.468 -6.741 351 HD11 ILE 41 3HD1 ILE 41 -0.997 -5.231 -6.555 352 HD12 ILE 41 1HD1 ILE 41 0.217 -5.769 -5.395 353 HD13 ILE 41 2HD1 ILE 41 0.464 -4.279 -6.304 354 H ARG 42 H ARG 42 -4.401 -2.050 -5.577 355 HA ARG 42 HA ARG 42 -4.249 0.656 -6.411 356 HB2 ARG 42 1HB ARG 42 -5.200 -0.993 -7.860 357 HB3 ARG 42 2HB ARG 42 -6.385 -1.404 -6.644 358 HG2 ARG 42 1HG ARG 42 -7.441 0.742 -6.881 359 HG3 ARG 42 2HG ARG 42 -6.231 1.223 -8.074 360 HD2 ARG 42 1HD ARG 42 -6.967 -0.581 -9.543 361 HD3 ARG 42 2HD ARG 42 -8.158 -1.082 -8.341 362 HE ARG 42 HE ARG 42 -8.918 1.419 -8.711 363 HH11 ARG 42 1HH1 ARG 42 -7.977 -1.007 -11.053 364 HH12 ARG 42 2HH1 ARG 42 -8.946 -0.340 -12.336 365 HH21 ARG 42 1HH2 ARG 42 -10.181 2.317 -10.388 366 HH22 ARG 42 2HH2 ARG 42 -10.188 1.578 -11.964 367 H GLN 43 H GLN 43 -5.886 -1.014 -3.848 368 HA GLN 43 HA GLN 43 -7.968 0.789 -3.342 369 HB2 GLN 43 1HB GLN 43 -7.629 -1.571 -2.427 370 HB3 GLN 43 2HB GLN 43 -6.586 -0.827 -1.216 371 HG2 GLN 43 1HG GLN 43 -8.467 0.620 -0.533 372 HG3 GLN 43 2HG GLN 43 -9.501 -0.238 -1.675 373 HE21 GLN 43 1HE2 GLN 43 -7.902 -0.335 1.381 374 HE22 GLN 43 2HE2 GLN 43 -8.605 -1.820 1.931 375 H PHE 44 H PHE 44 -4.674 0.636 -2.058 376 HA PHE 44 HA PHE 44 -4.867 2.568 -0.070 377 HB2 PHE 44 1HB PHE 44 -2.742 1.236 -1.577 378 HB3 PHE 44 2HB PHE 44 -2.307 2.842 -1.021 379 HD1 PHE 44 HD1 PHE 44 -3.471 -0.481 0.099 380 HD2 PHE 44 HD2 PHE 44 -1.785 3.257 1.226 381 HE1 PHE 44 HE1 PHE 44 -2.965 -1.386 2.333 382 HE2 PHE 44 HE2 PHE 44 -1.277 2.364 3.461 383 HZ PHE 44 HZ PHE 44 -1.863 0.041 4.019 384 H PHE 45 H PHE 45 -4.395 2.917 -3.527 385 HA PHE 45 HA PHE 45 -3.669 5.694 -3.340 386 HB2 PHE 45 1HB PHE 45 -4.268 3.911 -5.695 387 HB3 PHE 45 2HB PHE 45 -3.870 5.619 -5.857 388 HD1 PHE 45 HD1 PHE 45 -1.644 6.435 -5.120 389 HD2 PHE 45 HD2 PHE 45 -2.593 2.293 -5.305 390 HE1 PHE 45 HE1 PHE 45 0.755 5.888 -5.046 391 HE2 PHE 45 HE2 PHE 45 -0.199 1.737 -5.236 392 HZ PHE 45 HZ PHE 45 1.479 3.535 -5.103 393 H GLU 46 H GLU 46 -6.517 3.964 -4.656 394 HA GLU 46 HA GLU 46 -7.845 6.404 -5.270 395 HB2 GLU 46 1HB GLU 46 -8.936 3.600 -5.079 396 HB3 GLU 46 2HB GLU 46 -9.816 4.979 -5.722 397 HG2 GLU 46 1HG GLU 46 -8.023 5.231 -7.432 398 HG3 GLU 46 2HG GLU 46 -7.323 3.724 -6.841 399 H GLU 47 H GLU 47 -8.227 4.037 -2.654 400 HA GLU 47 HA GLU 47 -10.222 5.770 -1.415 401 HB2 GLU 47 1HB GLU 47 -9.353 2.967 -0.712 402 HB3 GLU 47 2HB GLU 47 -10.631 3.865 0.098 403 HG2 GLU 47 1HG GLU 47 -11.764 4.044 -2.138 404 HG3 GLU 47 2HG GLU 47 -10.578 2.882 -2.729 405 H PHE 48 H PHE 48 -7.649 6.748 -1.468 406 HA PHE 48 HA PHE 48 -6.206 6.227 0.933 407 HB2 PHE 48 1HB PHE 48 -5.313 7.172 -1.272 408 HB3 PHE 48 2HB PHE 48 -6.005 8.711 -0.776 409 HD1 PHE 48 HD1 PHE 48 -4.021 6.070 0.972 410 HD2 PHE 48 HD2 PHE 48 -4.375 10.174 -0.100 411 HE1 PHE 48 HE1 PHE 48 -1.968 6.570 2.228 412 HE2 PHE 48 HE2 PHE 48 -2.321 10.680 1.157 413 HZ PHE 48 HZ PHE 48 -1.115 8.878 2.322 414 H GLU 49 H GLU 49 -5.626 8.352 2.270 415 HA GLU 49 HA GLU 49 -7.936 8.904 3.812 416 HB2 GLU 49 1HB GLU 49 -6.446 10.217 5.198 417 HB3 GLU 49 2HB GLU 49 -5.664 8.710 4.740 418 HG2 GLU 49 1HG GLU 49 -4.420 9.904 2.984 419 HG3 GLU 49 2HG GLU 49 -5.181 11.412 3.492 420 H GLN 50 H GLN 50 -7.302 10.150 0.919 421 HA GLN 50 HA GLN 50 -7.790 12.946 1.535 422 HB2 GLN 50 1HB GLN 50 -7.413 11.525 -1.106 423 HB3 GLN 50 2HB GLN 50 -7.558 13.267 -0.907 424 HG2 GLN 50 1HG GLN 50 -5.390 11.570 0.320 425 HG3 GLN 50 2HG GLN 50 -5.229 12.502 -1.174 426 HE21 GLN 50 1HE2 GLN 50 -6.861 14.707 -0.136 427 HE22 GLN 50 2HE2 GLN 50 -5.848 15.550 0.988 428 H ARG 51 H ARG 51 -9.631 10.253 1.288 429 HA ARG 51 HA ARG 51 -11.935 11.559 0.067 430 HB2 ARG 51 1HB ARG 51 -11.511 8.794 1.207 431 HB3 ARG 51 2HB ARG 51 -13.076 9.369 0.653 432 HG2 ARG 51 1HG ARG 51 -12.103 9.728 -1.591 433 HG3 ARG 51 2HG ARG 51 -10.588 9.038 -1.006 434 HD2 ARG 51 1HD ARG 51 -11.636 6.930 -0.586 435 HD3 ARG 51 2HD ARG 51 -13.231 7.593 -0.937 436 HE ARG 51 HE ARG 51 -11.420 7.851 -3.138 437 HH11 ARG 51 1HH1 ARG 51 -13.533 5.611 -1.483 438 HH12 ARG 51 2HH1 ARG 51 -13.867 4.673 -2.902 439 HH21 ARG 51 1HH2 ARG 51 -11.844 6.631 -5.015 440 HH22 ARG 51 2HH2 ARG 51 -12.893 5.241 -4.924 441 H LYS 52 H LYS 52 -14.038 10.821 1.482 442 HA LYS 52 HA LYS 52 -14.168 12.541 3.665 443 HB2 LYS 52 1HB LYS 52 -16.260 11.088 4.223 444 HB3 LYS 52 2HB LYS 52 -16.234 12.053 2.755 445 HG2 LYS 52 1HG LYS 52 -16.008 10.208 1.384 446 HG3 LYS 52 2HG LYS 52 -15.334 9.207 2.674 447 HD2 LYS 52 1HD LYS 52 -18.075 10.191 3.125 448 HD3 LYS 52 2HD LYS 52 -17.891 9.037 1.803 449 HE2 LYS 52 1HE LYS 52 -18.411 8.010 4.023 450 HE3 LYS 52 2HE LYS 52 -16.944 7.406 3.258 451 HZ1 LYS 52 3HZ LYS 52 -17.038 9.461 5.405 452 HZ2 LYS 52 1HZ LYS 52 -15.634 8.830 4.690 453 HZ3 LYS 52 2HZ LYS 52 -16.637 7.828 5.622 Start of MODEL 3 1 H1 MET 1 1H MET 1 -14.338 -9.538 3.974 2 H2 MET 1 2H MET 1 -13.034 -9.019 3.020 3 H3 MET 1 3H MET 1 -12.972 -8.848 4.703 4 HA MET 1 HA MET 1 -12.983 -11.239 4.982 5 HB2 MET 1 1HB MET 1 -12.751 -11.291 1.961 6 HB3 MET 1 2HB MET 1 -12.686 -12.689 3.024 7 HG2 MET 1 1HG MET 1 -15.063 -10.893 2.593 8 HG3 MET 1 2HG MET 1 -14.838 -12.506 1.921 9 HE1 MET 1 3HE MET 1 -14.948 -14.733 3.316 10 HE2 MET 1 1HE MET 1 -15.011 -14.779 5.078 11 HE3 MET 1 2HE MET 1 -13.584 -14.139 4.262 12 H LYS 2 H LYS 2 -11.173 -10.377 2.060 13 HA LYS 2 HA LYS 2 -8.777 -9.804 3.595 14 HB2 LYS 2 1HB LYS 2 -7.413 -11.502 2.582 15 HB3 LYS 2 2HB LYS 2 -8.817 -12.312 3.261 16 HG2 LYS 2 1HG LYS 2 -9.834 -12.501 1.098 17 HG3 LYS 2 2HG LYS 2 -8.562 -11.523 0.368 18 HD2 LYS 2 1HD LYS 2 -6.924 -13.271 1.028 19 HD3 LYS 2 2HD LYS 2 -8.273 -14.261 1.589 20 HE2 LYS 2 1HE LYS 2 -7.641 -14.937 -0.646 21 HE3 LYS 2 2HE LYS 2 -9.238 -14.187 -0.675 22 HZ1 LYS 2 3HZ LYS 2 -6.684 -12.854 -1.429 23 HZ2 LYS 2 1HZ LYS 2 -8.217 -12.131 -1.459 24 HZ3 LYS 2 2HZ LYS 2 -7.862 -13.415 -2.508 25 H GLN 3 H GLN 3 -7.000 -9.107 2.094 26 HA GLN 3 HA GLN 3 -7.511 -8.678 -0.656 27 HB2 GLN 3 1HB GLN 3 -7.488 -6.155 -0.565 28 HB3 GLN 3 2HB GLN 3 -8.974 -6.915 -0.026 29 HG2 GLN 3 1HG GLN 3 -7.984 -6.688 2.333 30 HG3 GLN 3 2HG GLN 3 -6.880 -5.531 1.587 31 HE21 GLN 3 1HE2 GLN 3 -7.693 -3.775 2.689 32 HE22 GLN 3 2HE2 GLN 3 -9.256 -3.107 2.363 33 H TRP 4 H TRP 4 -5.799 -7.214 2.080 34 HA TRP 4 HA TRP 4 -3.302 -7.845 0.678 35 HB2 TRP 4 1HB TRP 4 -2.392 -6.115 2.449 36 HB3 TRP 4 2HB TRP 4 -3.119 -5.586 0.952 37 HD1 TRP 4 HD1 TRP 4 -4.374 -3.465 1.390 38 HE1 TRP 4 HE1 TRP 4 -6.030 -2.600 3.157 39 HE3 TRP 4 HE3 TRP 4 -4.290 -7.451 4.516 40 HZ2 TRP 4 HZ2 TRP 4 -7.149 -3.519 5.590 41 HZ3 TRP 4 HZ3 TRP 4 -5.676 -7.403 6.557 42 HH2 TRP 4 HH2 TRP 4 -7.076 -5.472 7.080 43 H SER 5 H SER 5 -1.469 -8.062 2.456 44 HA SER 5 HA SER 5 -2.416 -9.930 4.463 45 HB2 SER 5 1HB SER 5 0.394 -9.010 3.810 46 HB3 SER 5 2HB SER 5 -0.030 -10.317 4.918 47 HG SER 5 HG SER 5 -1.271 -10.967 2.769 48 H GLU 6 H GLU 6 -2.806 -9.337 6.508 49 HA GLU 6 HA GLU 6 -3.193 -6.771 7.352 50 HB2 GLU 6 1HB GLU 6 -3.875 -8.953 8.481 51 HB3 GLU 6 2HB GLU 6 -2.285 -8.954 9.225 52 HG2 GLU 6 1HG GLU 6 -3.778 -8.046 10.809 53 HG3 GLU 6 2HG GLU 6 -2.838 -6.695 10.172 54 H ASN 7 H ASN 7 -0.279 -8.713 7.895 55 HA ASN 7 HA ASN 7 1.248 -6.909 9.371 56 HB2 ASN 7 1HB ASN 7 1.927 -9.213 9.065 57 HB3 ASN 7 2HB ASN 7 2.053 -8.974 7.326 58 HD21 ASN 7 1HD2 ASN 7 4.167 -9.574 7.182 59 HD22 ASN 7 2HD2 ASN 7 5.472 -8.624 7.820 60 H VAL 8 H VAL 8 0.944 -7.311 5.878 61 HA VAL 8 HA VAL 8 2.994 -5.530 5.138 62 HB VAL 8 HB VAL 8 0.549 -6.331 3.547 63 HG11 VAL 8 1HG1 VAL 8 1.999 -5.785 1.603 64 HG12 VAL 8 2HG1 VAL 8 3.169 -5.090 2.723 65 HG13 VAL 8 3HG1 VAL 8 1.555 -4.393 2.584 66 HG21 VAL 8 3HG2 VAL 8 2.030 -8.014 2.542 67 HG22 VAL 8 1HG2 VAL 8 1.836 -8.271 4.276 68 HG23 VAL 8 2HG2 VAL 8 3.317 -7.541 3.653 69 H GLU 9 H GLU 9 -0.508 -5.107 5.460 70 HA GLU 9 HA GLU 9 -0.707 -2.535 4.412 71 HB2 GLU 9 1HB GLU 9 -2.545 -4.187 5.063 72 HB3 GLU 9 2HB GLU 9 -2.365 -3.581 6.702 73 HG2 GLU 9 1HG GLU 9 -2.817 -1.616 4.517 74 HG3 GLU 9 2HG GLU 9 -4.171 -2.611 5.039 75 H GLU 10 H GLU 10 -0.220 -3.575 7.757 76 HA GLU 10 HA GLU 10 -0.002 -1.133 9.032 77 HB2 GLU 10 1HB GLU 10 -0.018 -3.037 10.396 78 HB3 GLU 10 2HB GLU 10 1.266 -3.818 9.487 79 HG2 GLU 10 1HG GLU 10 2.866 -2.178 10.375 80 HG3 GLU 10 2HG GLU 10 1.570 -1.457 11.334 81 H LYS 11 H LYS 11 2.623 -3.051 7.598 82 HA LYS 11 HA LYS 11 4.604 -1.105 8.264 83 HB2 LYS 11 1HB LYS 11 5.030 -3.525 8.198 84 HB3 LYS 11 2HB LYS 11 4.780 -3.514 6.457 85 HG2 LYS 11 1HG LYS 11 6.711 -2.091 6.155 86 HG3 LYS 11 2HG LYS 11 6.933 -1.982 7.901 87 HD2 LYS 11 1HD LYS 11 7.093 -4.515 6.265 88 HD3 LYS 11 2HD LYS 11 8.472 -3.607 6.888 89 HE2 LYS 11 1HE LYS 11 7.569 -3.954 9.188 90 HE3 LYS 11 2HE LYS 11 6.337 -5.003 8.491 91 HZ1 LYS 11 3HZ LYS 11 9.262 -5.454 8.258 92 HZ2 LYS 11 1HZ LYS 11 8.036 -6.499 7.733 93 HZ3 LYS 11 2HZ LYS 11 8.255 -6.218 9.388 94 H LEU 12 H LEU 12 2.729 -1.840 5.407 95 HA LEU 12 HA LEU 12 4.238 -0.351 3.539 96 HB2 LEU 12 1HB LEU 12 2.412 -2.002 3.022 97 HB3 LEU 12 2HB LEU 12 1.252 -0.788 3.523 98 HG LEU 12 HG LEU 12 2.196 0.710 1.726 99 HD11 LEU 12 1HD1 LEU 12 3.437 -0.407 -0.088 100 HD12 LEU 12 2HD1 LEU 12 3.554 -1.855 0.911 101 HD13 LEU 12 3HD1 LEU 12 4.340 -0.364 1.426 102 HD21 LEU 12 3HD2 LEU 12 0.092 -0.478 1.438 103 HD22 LEU 12 1HD2 LEU 12 0.962 -1.904 0.874 104 HD23 LEU 12 2HD2 LEU 12 0.990 -0.423 -0.081 105 H LYS 13 H LYS 13 1.563 0.456 5.689 106 HA LYS 13 HA LYS 13 1.235 3.130 4.907 107 HB2 LYS 13 1HB LYS 13 -0.375 1.892 6.300 108 HB3 LYS 13 2HB LYS 13 0.788 1.850 7.612 109 HG2 LYS 13 1HG LYS 13 0.042 4.512 6.559 110 HG3 LYS 13 2HG LYS 13 -1.180 3.630 7.474 111 HD2 LYS 13 1HD LYS 13 1.621 4.198 8.442 112 HD3 LYS 13 2HD LYS 13 0.197 5.150 8.868 113 HE2 LYS 13 1HE LYS 13 0.537 2.200 9.430 114 HE3 LYS 13 2HE LYS 13 0.807 3.486 10.606 115 HZ1 LYS 13 3HZ LYS 13 -1.530 4.138 10.321 116 HZ2 LYS 13 1HZ LYS 13 -1.378 2.549 10.890 117 HZ3 LYS 13 2HZ LYS 13 -1.768 2.829 9.268 118 H GLU 14 H GLU 14 3.553 1.572 7.019 119 HA GLU 14 HA GLU 14 4.581 4.023 8.085 120 HB2 GLU 14 1HB GLU 14 5.856 1.287 7.993 121 HB3 GLU 14 2HB GLU 14 6.386 2.641 8.983 122 HG2 GLU 14 1HG GLU 14 4.214 2.593 10.147 123 HG3 GLU 14 2HG GLU 14 3.771 1.172 9.202 124 H PHE 15 H PHE 15 5.192 2.114 5.243 125 HA PHE 15 HA PHE 15 7.720 3.452 4.730 126 HB2 PHE 15 1HB PHE 15 7.475 1.012 4.395 127 HB3 PHE 15 2HB PHE 15 6.274 1.324 3.152 128 HD1 PHE 15 HD1 PHE 15 9.711 2.552 3.957 129 HD2 PHE 15 HD2 PHE 15 7.048 0.995 1.024 130 HE1 PHE 15 HE1 PHE 15 11.510 2.638 2.282 131 HE2 PHE 15 HE2 PHE 15 8.841 1.077 -0.653 132 HZ PHE 15 HZ PHE 15 11.078 1.899 -0.026 133 H VAL 16 H VAL 16 4.405 3.596 3.703 134 HA VAL 16 HA VAL 16 5.113 5.451 1.549 135 HB VAL 16 HB VAL 16 2.381 4.435 2.370 136 HG11 VAL 16 1HG1 VAL 16 2.265 6.606 1.277 137 HG12 VAL 16 2HG1 VAL 16 1.638 5.345 0.214 138 HG13 VAL 16 3HG1 VAL 16 3.253 6.005 -0.056 139 HG21 VAL 16 3HG2 VAL 16 2.503 3.018 0.400 140 HG22 VAL 16 1HG2 VAL 16 3.835 2.659 1.501 141 HG23 VAL 16 2HG2 VAL 16 4.125 3.618 0.048 142 H LYS 17 H LYS 17 2.742 5.424 4.203 143 HA LYS 17 HA LYS 17 2.264 8.200 4.171 144 HB2 LYS 17 1HB LYS 17 0.612 6.734 5.072 145 HB3 LYS 17 2HB LYS 17 1.742 6.062 6.233 146 HG2 LYS 17 1HG LYS 17 0.516 7.429 7.573 147 HG3 LYS 17 2HG LYS 17 1.827 8.522 7.118 148 HD2 LYS 17 1HD LYS 17 0.411 9.462 5.341 149 HD3 LYS 17 2HD LYS 17 -0.902 8.389 5.830 150 HE2 LYS 17 1HE LYS 17 -0.722 9.479 8.131 151 HE3 LYS 17 2HE LYS 17 0.303 10.687 7.357 152 HZ1 LYS 17 3HZ LYS 17 -1.913 11.495 7.394 153 HZ2 LYS 17 1HZ LYS 17 -2.527 10.062 6.722 154 HZ3 LYS 17 2HZ LYS 17 -1.554 11.091 5.786 155 H ARG 18 H ARG 18 4.342 6.195 6.240 156 HA ARG 18 HA ARG 18 5.169 8.564 7.727 157 HB2 ARG 18 1HB ARG 18 5.843 5.650 8.133 158 HB3 ARG 18 2HB ARG 18 6.354 6.960 9.188 159 HG2 ARG 18 1HG ARG 18 3.956 7.467 9.612 160 HG3 ARG 18 2HG ARG 18 3.542 6.023 8.684 161 HD2 ARG 18 1HD ARG 18 3.556 5.552 11.076 162 HD3 ARG 18 2HD ARG 18 4.820 4.646 10.244 163 HE ARG 18 HE ARG 18 5.703 7.164 11.324 164 HH11 ARG 18 1HH1 ARG 18 5.219 3.754 12.037 165 HH12 ARG 18 2HH1 ARG 18 6.385 3.746 13.320 166 HH21 ARG 18 1HH2 ARG 18 7.221 7.126 13.009 167 HH22 ARG 18 2HH2 ARG 18 7.512 5.647 13.876 168 H HIS 19 H HIS 19 5.996 8.022 4.908 169 HA HIS 19 HA HIS 19 8.864 8.443 5.349 170 HB2 HIS 19 1HB HIS 19 7.593 6.363 3.656 171 HB3 HIS 19 2HB HIS 19 8.954 7.219 2.943 172 HD1 HIS 19 HD1 HIS 19 8.185 5.201 6.105 173 HD2 HIS 19 HD2 HIS 19 11.352 6.243 3.621 174 HE1 HIS 19 HE1 HIS 19 10.193 3.903 6.927 175 H GLN 20 H GLN 20 9.560 8.801 2.676 176 HA GLN 20 HA GLN 20 8.298 11.376 2.144 177 HB2 GLN 20 1HB GLN 20 10.665 10.045 0.803 178 HB3 GLN 20 2HB GLN 20 10.151 11.712 0.577 179 HG2 GLN 20 1HG GLN 20 10.704 12.256 2.841 180 HG3 GLN 20 2HG GLN 20 11.043 10.566 3.212 181 HE21 GLN 20 1HE2 GLN 20 13.122 10.952 3.848 182 HE22 GLN 20 2HE2 GLN 20 14.389 11.389 2.752 183 H ARG 21 H ARG 21 7.111 8.648 1.663 184 HA ARG 21 HA ARG 21 5.760 7.592 0.203 185 HB2 ARG 21 1HB ARG 21 6.002 10.249 -1.193 186 HB3 ARG 21 2HB ARG 21 5.153 8.921 -1.962 187 HG2 ARG 21 1HG ARG 21 3.564 10.337 -0.866 188 HG3 ARG 21 2HG ARG 21 3.641 8.799 -0.008 189 HD2 ARG 21 1HD ARG 21 5.024 9.786 1.712 190 HD3 ARG 21 2HD ARG 21 5.093 11.308 0.825 191 HE ARG 21 HE ARG 21 2.427 10.884 1.199 192 HH11 ARG 21 1HH1 ARG 21 5.188 10.969 3.355 193 HH12 ARG 21 2HH1 ARG 21 4.299 11.643 4.687 194 HH21 ARG 21 1HH2 ARG 21 1.252 11.801 2.952 195 HH22 ARG 21 2HH2 ARG 21 2.075 12.145 4.446 196 H ILE 22 H ILE 22 5.732 6.983 -2.358 197 HA ILE 22 HA ILE 22 8.408 6.732 -3.407 198 HB ILE 22 HB ILE 22 8.345 4.966 -1.701 199 HG12 ILE 22 1HG1 ILE 22 8.220 3.770 -4.475 200 HG13 ILE 22 2HG1 ILE 22 9.607 4.644 -3.833 201 HG21 ILE 22 1HG2 ILE 22 5.972 4.548 -1.624 202 HG22 ILE 22 2HG2 ILE 22 6.835 3.045 -1.958 203 HG23 ILE 22 3HG2 ILE 22 6.006 3.895 -3.263 204 HD11 ILE 22 3HD1 ILE 22 9.826 2.979 -2.063 205 HD12 ILE 22 1HD1 ILE 22 9.937 2.254 -3.668 206 HD13 ILE 22 2HD1 ILE 22 8.450 2.098 -2.730 207 H THR 23 H THR 23 8.445 5.985 -5.568 208 HA THR 23 HA THR 23 6.202 6.647 -7.128 209 HB THR 23 HB THR 23 7.531 5.543 -8.996 210 HG1 THR 23 HG1 THR 23 9.876 5.495 -7.709 211 HG21 THR 23 3HG2 THR 23 8.981 7.609 -7.334 212 HG22 THR 23 1HG2 THR 23 7.661 7.956 -8.451 213 HG23 THR 23 2HG2 THR 23 9.186 7.315 -9.062 214 H GLN 24 H GLN 24 4.967 5.306 -8.554 215 HA GLN 24 HA GLN 24 3.794 3.109 -7.240 216 HB2 GLN 24 1HB GLN 24 2.559 4.496 -8.829 217 HB3 GLN 24 2HB GLN 24 3.593 3.943 -10.141 218 HG2 GLN 24 1HG GLN 24 2.768 1.666 -9.840 219 HG3 GLN 24 2HG GLN 24 1.735 2.214 -8.519 220 HE21 GLN 24 1HE2 GLN 24 -0.090 3.438 -8.984 221 HE22 GLN 24 2HE2 GLN 24 -0.764 3.505 -10.576 222 H GLU 25 H GLU 25 6.294 3.324 -9.688 223 HA GLU 25 HA GLU 25 6.327 0.683 -10.588 224 HB2 GLU 25 1HB GLU 25 7.633 2.520 -11.601 225 HB3 GLU 25 2HB GLU 25 8.694 2.525 -10.198 226 HG2 GLU 25 1HG GLU 25 9.324 0.192 -10.720 227 HG3 GLU 25 2HG GLU 25 8.335 0.281 -12.175 228 H GLU 26 H GLU 26 8.354 2.135 -8.042 229 HA GLU 26 HA GLU 26 9.340 -0.386 -7.157 230 HB2 GLU 26 1HB GLU 26 9.443 2.395 -6.022 231 HB3 GLU 26 2HB GLU 26 10.113 1.017 -5.161 232 HG2 GLU 26 1HG GLU 26 10.913 1.845 -7.939 233 HG3 GLU 26 2HG GLU 26 11.782 2.282 -6.467 234 H LEU 27 H LEU 27 6.595 1.585 -6.358 235 HA LEU 27 HA LEU 27 5.937 0.454 -3.871 236 HB2 LEU 27 1HB LEU 27 4.933 2.511 -5.015 237 HB3 LEU 27 2HB LEU 27 3.942 1.393 -5.926 238 HG LEU 27 HG LEU 27 2.792 2.435 -3.967 239 HD11 LEU 27 1HD1 LEU 27 2.016 0.300 -4.906 240 HD12 LEU 27 2HD1 LEU 27 1.728 0.415 -3.169 241 HD13 LEU 27 3HD1 LEU 27 3.065 -0.559 -3.779 242 HD21 LEU 27 3HD2 LEU 27 3.329 1.651 -1.728 243 HD22 LEU 27 1HD2 LEU 27 4.709 2.484 -2.444 244 HD23 LEU 27 2HD2 LEU 27 4.688 0.722 -2.366 245 H HIS 28 H HIS 28 4.806 -0.378 -7.161 246 HA HIS 28 HA HIS 28 3.279 -2.599 -6.345 247 HB2 HIS 28 1HB HIS 28 2.978 -1.558 -8.556 248 HB3 HIS 28 2HB HIS 28 4.584 -2.104 -9.037 249 HD1 HIS 28 HD1 HIS 28 4.887 -4.740 -9.303 250 HD2 HIS 28 HD2 HIS 28 0.978 -3.417 -8.804 251 HE1 HIS 28 HE1 HIS 28 3.404 -6.715 -9.782 252 H GLN 29 H GLN 29 6.659 -2.273 -7.312 253 HA GLN 29 HA GLN 29 7.314 -4.992 -7.411 254 HB2 GLN 29 1HB GLN 29 8.783 -3.127 -8.180 255 HB3 GLN 29 2HB GLN 29 9.097 -2.723 -6.498 256 HG2 GLN 29 1HG GLN 29 10.908 -4.024 -7.489 257 HG3 GLN 29 2HG GLN 29 10.144 -4.879 -6.148 258 HE21 GLN 29 1HE2 GLN 29 8.917 -6.724 -6.569 259 HE22 GLN 29 2HE2 GLN 29 8.982 -7.546 -8.090 260 H TYR 30 H TYR 30 7.212 -2.701 -4.755 261 HA TYR 30 HA TYR 30 8.097 -4.567 -2.767 262 HB2 TYR 30 1HB TYR 30 8.370 -2.050 -2.696 263 HB3 TYR 30 2HB TYR 30 6.648 -1.942 -2.363 264 HD1 TYR 30 HD1 TYR 30 9.559 -3.904 -1.042 265 HD2 TYR 30 HD2 TYR 30 6.128 -1.546 -0.160 266 HE1 TYR 30 HE1 TYR 30 10.035 -4.118 1.361 267 HE2 TYR 30 HE2 TYR 30 6.596 -1.756 2.245 268 HH TYR 30 HH TYR 30 9.549 -2.911 3.461 269 H ALA 31 H ALA 31 5.153 -4.002 -4.373 270 HA ALA 31 HA ALA 31 3.423 -4.698 -2.165 271 HB1 ALA 31 3HB ALA 31 2.646 -3.125 -3.868 272 HB2 ALA 31 1HB ALA 31 1.615 -4.554 -3.814 273 HB3 ALA 31 2HB ALA 31 2.803 -4.372 -5.103 274 H GLN 32 H GLN 32 4.329 -6.155 -5.273 275 HA GLN 32 HA GLN 32 3.064 -8.644 -4.657 276 HB2 GLN 32 1HB GLN 32 3.460 -7.734 -6.964 277 HB3 GLN 32 2HB GLN 32 5.165 -8.111 -6.760 278 HG2 GLN 32 1HG GLN 32 4.055 -9.837 -8.026 279 HG3 GLN 32 2HG GLN 32 4.606 -10.471 -6.477 280 HE21 GLN 32 1HE2 GLN 32 1.785 -8.447 -6.891 281 HE22 GLN 32 2HE2 GLN 32 0.616 -9.655 -6.495 282 H ARG 33 H ARG 33 5.988 -7.194 -3.788 283 HA ARG 33 HA ARG 33 7.491 -9.591 -3.317 284 HB2 ARG 33 1HB ARG 33 8.595 -7.442 -3.745 285 HB3 ARG 33 2HB ARG 33 7.877 -6.772 -2.289 286 HG2 ARG 33 1HG ARG 33 9.211 -8.138 -0.892 287 HG3 ARG 33 2HG ARG 33 9.739 -9.130 -2.254 288 HD2 ARG 33 1HD ARG 33 10.353 -6.192 -1.928 289 HD3 ARG 33 2HD ARG 33 11.455 -7.499 -1.493 290 HE ARG 33 HE ARG 33 10.938 -8.077 -4.052 291 HH11 ARG 33 1HH1 ARG 33 11.796 -5.019 -2.539 292 HH12 ARG 33 2HH1 ARG 33 12.612 -4.415 -3.954 293 HH21 ARG 33 1HH2 ARG 33 12.049 -7.301 -5.878 294 HH22 ARG 33 2HH2 ARG 33 12.787 -5.725 -5.840 295 H LEU 34 H LEU 34 5.115 -7.755 -1.573 296 HA LEU 34 HA LEU 34 5.784 -9.198 0.896 297 HB2 LEU 34 1HB LEU 34 4.068 -6.754 0.500 298 HB3 LEU 34 2HB LEU 34 4.345 -7.547 2.038 299 HG LEU 34 HG LEU 34 6.392 -6.116 0.348 300 HD11 LEU 34 1HD1 LEU 34 5.258 -5.540 3.079 301 HD12 LEU 34 2HD1 LEU 34 4.909 -4.651 1.597 302 HD13 LEU 34 3HD1 LEU 34 6.535 -4.624 2.280 303 HD21 LEU 34 3HD2 LEU 34 7.395 -8.086 1.369 304 HD22 LEU 34 1HD2 LEU 34 6.760 -7.609 2.942 305 HD23 LEU 34 2HD2 LEU 34 7.976 -6.615 2.143 306 H GLY 35 H GLY 35 3.323 -8.905 -1.536 307 HA2 GLY 35 1HA GLY 35 1.938 -10.963 -1.688 308 HA3 GLY 35 2HA GLY 35 1.686 -10.798 0.046 309 H LEU 36 H LEU 36 1.581 -8.246 -2.416 310 HA LEU 36 HA LEU 36 -1.198 -7.770 -1.591 311 HB2 LEU 36 1HB LEU 36 0.642 -5.845 -2.999 312 HB3 LEU 36 2HB LEU 36 -0.932 -5.499 -2.310 313 HG LEU 36 HG LEU 36 1.548 -6.227 -0.752 314 HD11 LEU 36 1HD1 LEU 36 1.597 -3.968 -1.714 315 HD12 LEU 36 2HD1 LEU 36 1.457 -3.936 0.043 316 HD13 LEU 36 3HD1 LEU 36 0.040 -3.623 -0.961 317 HD21 LEU 36 3HD2 LEU 36 -1.196 -5.451 0.213 318 HD22 LEU 36 1HD2 LEU 36 0.212 -5.773 1.223 319 HD23 LEU 36 2HD2 LEU 36 -0.513 -7.075 0.277 320 H ASN 37 H ASN 37 -2.788 -7.978 -2.998 321 HA ASN 37 HA ASN 37 -2.144 -8.231 -5.840 322 HB2 ASN 37 1HB ASN 37 -4.578 -8.863 -6.083 323 HB3 ASN 37 2HB ASN 37 -3.605 -9.986 -5.149 324 HD21 ASN 37 1HD2 ASN 37 -4.678 -6.960 -3.770 325 HD22 ASN 37 2HD2 ASN 37 -5.833 -7.660 -2.686 326 H GLU 38 H GLU 38 -3.639 -7.066 -7.355 327 HA GLU 38 HA GLU 38 -3.202 -4.333 -6.986 328 HB2 GLU 38 1HB GLU 38 -5.019 -5.771 -8.916 329 HB3 GLU 38 2HB GLU 38 -4.615 -4.062 -9.022 330 HG2 GLU 38 1HG GLU 38 -2.365 -4.509 -9.497 331 HG3 GLU 38 2HG GLU 38 -2.506 -6.192 -8.996 332 H GLU 39 H GLU 39 -5.974 -6.275 -6.177 333 HA GLU 39 HA GLU 39 -7.964 -4.374 -5.895 334 HB2 GLU 39 1HB GLU 39 -8.515 -6.662 -5.584 335 HB3 GLU 39 2HB GLU 39 -7.300 -6.856 -4.326 336 HG2 GLU 39 1HG GLU 39 -8.594 -5.558 -2.787 337 HG3 GLU 39 2HG GLU 39 -9.754 -5.137 -4.049 338 H ALA 40 H ALA 40 -5.603 -5.434 -3.481 339 HA ALA 40 HA ALA 40 -6.391 -3.521 -1.526 340 HB1 ALA 40 3HB ALA 40 -4.397 -4.260 -0.306 341 HB2 ALA 40 1HB ALA 40 -3.865 -5.162 -1.724 342 HB3 ALA 40 2HB ALA 40 -5.347 -5.626 -0.890 343 H ILE 41 H ILE 41 -4.035 -3.583 -4.108 344 HA ILE 41 HA ILE 41 -2.482 -1.377 -3.275 345 HB ILE 41 HB ILE 41 -2.995 -2.301 -6.113 346 HG12 ILE 41 1HG1 ILE 41 -0.854 -3.129 -4.135 347 HG13 ILE 41 2HG1 ILE 41 -2.196 -4.133 -4.682 348 HG21 ILE 41 1HG2 ILE 41 -1.989 -0.086 -5.997 349 HG22 ILE 41 2HG2 ILE 41 -0.819 -1.266 -6.592 350 HG23 ILE 41 3HG2 ILE 41 -0.730 -0.699 -4.926 351 HD11 ILE 41 3HD1 ILE 41 0.041 -3.088 -6.409 352 HD12 ILE 41 1HD1 ILE 41 -1.294 -4.107 -6.947 353 HD13 ILE 41 2HD1 ILE 41 -0.115 -4.733 -5.792 354 H ARG 42 H ARG 42 -5.173 -1.611 -5.594 355 HA ARG 42 HA ARG 42 -5.523 1.116 -6.108 356 HB2 ARG 42 1HB ARG 42 -6.645 -0.602 -7.411 357 HB3 ARG 42 2HB ARG 42 -7.550 -1.129 -6.002 358 HG2 ARG 42 1HG ARG 42 -8.435 1.321 -6.001 359 HG3 ARG 42 2HG ARG 42 -7.903 1.306 -7.683 360 HD2 ARG 42 1HD ARG 42 -10.214 0.673 -7.627 361 HD3 ARG 42 2HD ARG 42 -9.263 -0.757 -8.023 362 HE ARG 42 HE ARG 42 -10.068 -0.300 -5.242 363 HH11 ARG 42 1HH1 ARG 42 -10.388 -2.157 -8.196 364 HH12 ARG 42 2HH1 ARG 42 -11.195 -3.488 -7.415 365 HH21 ARG 42 1HH2 ARG 42 -11.114 -2.065 -4.213 366 HH22 ARG 42 2HH2 ARG 42 -11.604 -3.431 -5.161 367 H GLN 43 H GLN 43 -6.891 -0.957 -3.608 368 HA GLN 43 HA GLN 43 -8.650 1.037 -2.587 369 HB2 GLN 43 1HB GLN 43 -8.569 -1.665 -2.494 370 HB3 GLN 43 2HB GLN 43 -7.992 -1.271 -0.881 371 HG2 GLN 43 1HG GLN 43 -9.978 -0.200 -0.300 372 HG3 GLN 43 2HG GLN 43 -10.477 -0.019 -1.981 373 HE21 GLN 43 1HE2 GLN 43 -10.315 -2.139 0.748 374 HE22 GLN 43 2HE2 GLN 43 -11.301 -3.402 0.092 375 H PHE 44 H PHE 44 -5.347 0.397 -2.126 376 HA PHE 44 HA PHE 44 -5.247 1.586 0.521 377 HB2 PHE 44 1HB PHE 44 -3.704 -0.286 -0.308 378 HB3 PHE 44 2HB PHE 44 -2.883 0.957 -1.244 379 HD1 PHE 44 HD1 PHE 44 -3.643 -0.243 2.136 380 HD2 PHE 44 HD2 PHE 44 -1.431 2.549 -0.193 381 HE1 PHE 44 HE1 PHE 44 -2.275 0.304 4.105 382 HE2 PHE 44 HE2 PHE 44 -0.060 3.106 1.775 383 HZ PHE 44 HZ PHE 44 -0.483 1.981 3.927 384 H PHE 45 H PHE 45 -4.549 2.450 -2.824 385 HA PHE 45 HA PHE 45 -3.434 5.016 -2.093 386 HB2 PHE 45 1HB PHE 45 -4.065 3.702 -4.724 387 HB3 PHE 45 2HB PHE 45 -3.606 5.398 -4.634 388 HD1 PHE 45 HD1 PHE 45 -1.484 5.565 -2.783 389 HD2 PHE 45 HD2 PHE 45 -2.357 2.437 -5.530 390 HE1 PHE 45 HE1 PHE 45 0.896 4.939 -2.817 391 HE2 PHE 45 HE2 PHE 45 0.016 1.803 -5.569 392 HZ PHE 45 HZ PHE 45 1.647 3.051 -4.209 393 H GLU 46 H GLU 46 -6.228 4.083 -4.105 394 HA GLU 46 HA GLU 46 -7.171 6.775 -4.127 395 HB2 GLU 46 1HB GLU 46 -8.429 4.227 -5.142 396 HB3 GLU 46 2HB GLU 46 -9.077 5.840 -5.424 397 HG2 GLU 46 1HG GLU 46 -6.947 6.444 -6.535 398 HG3 GLU 46 2HG GLU 46 -6.421 4.775 -6.348 399 H GLU 47 H GLU 47 -8.063 3.864 -2.362 400 HA GLU 47 HA GLU 47 -10.230 5.342 -1.074 401 HB2 GLU 47 1HB GLU 47 -9.472 2.428 -1.021 402 HB3 GLU 47 2HB GLU 47 -10.715 3.115 0.020 403 HG2 GLU 47 1HG GLU 47 -11.791 3.981 -2.112 404 HG3 GLU 47 2HG GLU 47 -10.702 2.891 -2.965 405 H PHE 48 H PHE 48 -7.521 6.091 -0.575 406 HA PHE 48 HA PHE 48 -6.900 5.179 2.102 407 HB2 PHE 48 1HB PHE 48 -5.240 5.932 0.234 408 HB3 PHE 48 2HB PHE 48 -5.657 7.562 0.745 409 HD1 PHE 48 HD1 PHE 48 -4.855 4.359 2.493 410 HD2 PHE 48 HD2 PHE 48 -4.031 8.511 2.057 411 HE1 PHE 48 HE1 PHE 48 -3.163 4.204 4.271 412 HE2 PHE 48 HE2 PHE 48 -2.336 8.365 3.836 413 HZ PHE 48 HZ PHE 48 -1.900 6.207 4.947 414 H GLU 49 H GLU 49 -6.196 7.469 3.439 415 HA GLU 49 HA GLU 49 -8.732 8.419 4.316 416 HB2 GLU 49 1HB GLU 49 -7.478 9.693 5.944 417 HB3 GLU 49 2HB GLU 49 -6.774 8.085 5.804 418 HG2 GLU 49 1HG GLU 49 -4.998 8.961 4.394 419 HG3 GLU 49 2HG GLU 49 -5.705 10.574 4.483 420 H GLN 50 H GLN 50 -6.840 9.320 1.725 421 HA GLN 50 HA GLN 50 -7.396 12.173 1.927 422 HB2 GLN 50 1HB GLN 50 -5.905 10.668 -0.230 423 HB3 GLN 50 2HB GLN 50 -5.970 12.414 -0.027 424 HG2 GLN 50 1HG GLN 50 -4.721 10.456 1.884 425 HG3 GLN 50 2HG GLN 50 -3.862 11.508 0.762 426 HE21 GLN 50 1HE2 GLN 50 -5.658 13.758 1.218 427 HE22 GLN 50 2HE2 GLN 50 -5.272 14.376 2.788 428 H ARG 51 H ARG 51 -9.068 9.535 0.873 429 HA ARG 51 HA ARG 51 -10.045 10.463 -1.615 430 HB2 ARG 51 1HB ARG 51 -10.063 8.067 -0.639 431 HB3 ARG 51 2HB ARG 51 -11.534 8.577 0.187 432 HG2 ARG 51 1HG ARG 51 -12.558 9.124 -1.927 433 HG3 ARG 51 2HG ARG 51 -11.079 8.683 -2.771 434 HD2 ARG 51 1HD ARG 51 -11.368 6.379 -1.703 435 HD3 ARG 51 2HD ARG 51 -13.012 6.900 -1.324 436 HE ARG 51 HE ARG 51 -12.292 7.288 -4.085 437 HH11 ARG 51 1HH1 ARG 51 -13.613 5.003 -1.766 438 HH12 ARG 51 2HH1 ARG 51 -14.353 4.009 -2.989 439 HH21 ARG 51 1HH2 ARG 51 -13.279 5.993 -5.674 440 HH22 ARG 51 2HH2 ARG 51 -14.178 4.578 -5.204 441 H LYS 52 H LYS 52 -11.677 11.776 -2.077 442 HA LYS 52 HA LYS 52 -13.312 13.322 -1.873 443 HB2 LYS 52 1HB LYS 52 -14.130 11.590 0.472 444 HB3 LYS 52 2HB LYS 52 -15.105 12.896 -0.186 445 HG2 LYS 52 1HG LYS 52 -15.302 11.734 -2.300 446 HG3 LYS 52 2HG LYS 52 -14.235 10.454 -1.722 447 HD2 LYS 52 1HD LYS 52 -16.896 11.169 -0.494 448 HD3 LYS 52 2HD LYS 52 -16.634 9.844 -1.631 449 HE2 LYS 52 1HE LYS 52 -15.016 8.856 -0.044 450 HE3 LYS 52 2HE LYS 52 -15.389 10.146 1.100 451 HZ1 LYS 52 3HZ LYS 52 -17.666 9.390 1.184 452 HZ2 LYS 52 1HZ LYS 52 -16.623 8.114 1.576 453 HZ3 LYS 52 2HZ LYS 52 -17.347 8.176 0.044 Start of MODEL 4 1 H1 MET 1 1H MET 1 -14.373 -7.181 4.128 2 H2 MET 1 2H MET 1 -13.394 -8.115 3.109 3 H3 MET 1 3H MET 1 -12.972 -6.506 3.456 4 HA MET 1 HA MET 1 -12.475 -6.973 5.674 5 HB2 MET 1 1HB MET 1 -12.802 -9.212 6.667 6 HB3 MET 1 2HB MET 1 -14.330 -8.531 6.116 7 HG2 MET 1 1HG MET 1 -14.230 -9.923 4.117 8 HG3 MET 1 2HG MET 1 -12.696 -10.599 4.658 9 HE1 MET 1 3HE MET 1 -16.548 -10.363 5.281 10 HE2 MET 1 1HE MET 1 -15.911 -9.718 6.793 11 HE3 MET 1 2HE MET 1 -16.744 -11.272 6.778 12 H LYS 2 H LYS 2 -11.801 -8.754 2.742 13 HA LYS 2 HA LYS 2 -9.044 -9.120 3.708 14 HB2 LYS 2 1HB LYS 2 -10.433 -11.122 1.929 15 HB3 LYS 2 2HB LYS 2 -8.882 -11.295 2.737 16 HG2 LYS 2 1HG LYS 2 -10.071 -11.265 4.914 17 HG3 LYS 2 2HG LYS 2 -11.600 -11.247 4.034 18 HD2 LYS 2 1HD LYS 2 -11.275 -13.500 4.538 19 HD3 LYS 2 2HD LYS 2 -10.719 -13.357 2.869 20 HE2 LYS 2 1HE LYS 2 -9.162 -14.698 4.154 21 HE3 LYS 2 2HE LYS 2 -8.404 -13.181 3.672 22 HZ1 LYS 2 3HZ LYS 2 -9.615 -13.677 6.339 23 HZ2 LYS 2 1HZ LYS 2 -8.736 -12.306 5.867 24 HZ3 LYS 2 2HZ LYS 2 -7.963 -13.812 6.004 25 H GLN 3 H GLN 3 -7.778 -7.879 2.509 26 HA GLN 3 HA GLN 3 -8.142 -7.923 -0.413 27 HB2 GLN 3 1HB GLN 3 -7.616 -5.509 1.317 28 HB3 GLN 3 2HB GLN 3 -7.191 -5.536 -0.385 29 HG2 GLN 3 1HG GLN 3 -9.235 -4.481 -0.375 30 HG3 GLN 3 2HG GLN 3 -9.657 -6.143 -0.775 31 HE21 GLN 3 1HE2 GLN 3 -11.767 -5.784 -0.069 32 HE22 GLN 3 2HE2 GLN 3 -12.166 -5.684 1.617 33 H TRP 4 H TRP 4 -5.923 -6.661 2.017 34 HA TRP 4 HA TRP 4 -3.656 -7.790 0.539 35 HB2 TRP 4 1HB TRP 4 -2.530 -6.179 2.417 36 HB3 TRP 4 2HB TRP 4 -2.985 -5.633 0.809 37 HD1 TRP 4 HD1 TRP 4 -4.427 -3.506 0.798 38 HE1 TRP 4 HE1 TRP 4 -5.970 -2.312 2.474 39 HE3 TRP 4 HE3 TRP 4 -4.279 -6.907 4.620 40 HZ2 TRP 4 HZ2 TRP 4 -7.009 -2.763 5.051 41 HZ3 TRP 4 HZ3 TRP 4 -5.588 -6.450 6.645 42 HH2 TRP 4 HH2 TRP 4 -6.925 -4.418 6.857 43 H SER 5 H SER 5 -1.755 -8.187 2.254 44 HA SER 5 HA SER 5 -2.675 -10.092 4.177 45 HB2 SER 5 1HB SER 5 0.064 -8.851 3.835 46 HB3 SER 5 2HB SER 5 -0.313 -10.243 4.849 47 HG SER 5 HG SER 5 -0.843 -11.417 3.032 48 H GLU 6 H GLU 6 -3.269 -9.714 6.200 49 HA GLU 6 HA GLU 6 -4.079 -7.442 7.310 50 HB2 GLU 6 1HB GLU 6 -4.241 -9.759 8.255 51 HB3 GLU 6 2HB GLU 6 -2.632 -9.534 8.923 52 HG2 GLU 6 1HG GLU 6 -3.470 -7.613 10.214 53 HG3 GLU 6 2HG GLU 6 -5.089 -7.936 9.590 54 H ASN 7 H ASN 7 -0.735 -8.627 7.829 55 HA ASN 7 HA ASN 7 -0.064 -6.299 9.397 56 HB2 ASN 7 1HB ASN 7 1.442 -8.719 8.490 57 HB3 ASN 7 2HB ASN 7 2.298 -7.360 9.210 58 HD21 ASN 7 1HD2 ASN 7 1.951 -6.851 11.369 59 HD22 ASN 7 2HD2 ASN 7 1.216 -7.974 12.475 60 H VAL 8 H VAL 8 -0.040 -7.014 6.089 61 HA VAL 8 HA VAL 8 2.179 -5.378 5.352 62 HB VAL 8 HB VAL 8 -0.135 -6.473 3.760 63 HG11 VAL 8 1HG1 VAL 8 0.509 -4.388 2.718 64 HG12 VAL 8 2HG1 VAL 8 1.083 -5.741 1.747 65 HG13 VAL 8 3HG1 VAL 8 2.209 -4.852 2.773 66 HG21 VAL 8 3HG2 VAL 8 2.810 -7.128 3.813 67 HG22 VAL 8 1HG2 VAL 8 1.600 -7.895 2.783 68 HG23 VAL 8 2HG2 VAL 8 1.517 -8.088 4.535 69 H GLU 9 H GLU 9 -1.275 -4.864 5.733 70 HA GLU 9 HA GLU 9 -1.693 -2.332 4.795 71 HB2 GLU 9 1HB GLU 9 -3.524 -3.428 5.778 72 HB3 GLU 9 2HB GLU 9 -2.646 -3.761 7.261 73 HG2 GLU 9 1HG GLU 9 -4.335 -2.123 7.693 74 HG3 GLU 9 2HG GLU 9 -2.754 -1.362 7.829 75 H GLU 10 H GLU 10 -0.335 -3.172 7.957 76 HA GLU 10 HA GLU 10 0.162 -0.527 8.780 77 HB2 GLU 10 1HB GLU 10 0.026 -2.203 10.451 78 HB3 GLU 10 2HB GLU 10 1.256 -3.193 9.673 79 HG2 GLU 10 1HG GLU 10 2.929 -1.469 10.177 80 HG3 GLU 10 2HG GLU 10 1.690 -0.520 10.997 81 H LYS 11 H LYS 11 2.422 -3.016 7.566 82 HA LYS 11 HA LYS 11 4.677 -1.335 7.780 83 HB2 LYS 11 1HB LYS 11 4.845 -3.770 7.822 84 HB3 LYS 11 2HB LYS 11 4.312 -3.850 6.149 85 HG2 LYS 11 1HG LYS 11 6.310 -2.788 5.389 86 HG3 LYS 11 2HG LYS 11 6.810 -2.430 7.041 87 HD2 LYS 11 1HD LYS 11 6.378 -5.258 6.132 88 HD3 LYS 11 2HD LYS 11 7.897 -4.426 5.813 89 HE2 LYS 11 1HE LYS 11 8.193 -5.660 7.818 90 HE3 LYS 11 2HE LYS 11 8.055 -3.966 8.275 91 HZ1 LYS 11 3HZ LYS 11 6.791 -5.504 9.713 92 HZ2 LYS 11 1HZ LYS 11 5.815 -5.914 8.391 93 HZ3 LYS 11 2HZ LYS 11 5.813 -4.325 8.992 94 H LEU 12 H LEU 12 2.389 -1.864 5.187 95 HA LEU 12 HA LEU 12 3.908 -0.747 3.090 96 HB2 LEU 12 1HB LEU 12 1.727 -2.020 2.902 97 HB3 LEU 12 2HB LEU 12 0.917 -0.550 3.398 98 HG LEU 12 HG LEU 12 1.908 0.592 1.410 99 HD11 LEU 12 1HD1 LEU 12 2.804 -0.803 -0.386 100 HD12 LEU 12 2HD1 LEU 12 2.718 -2.214 0.666 101 HD13 LEU 12 3HD1 LEU 12 3.811 -0.887 1.060 102 HD21 LEU 12 3HD2 LEU 12 0.398 -0.510 -0.218 103 HD22 LEU 12 1HD2 LEU 12 -0.367 -0.179 1.335 104 HD23 LEU 12 2HD2 LEU 12 0.159 -1.815 0.944 105 H LYS 13 H LYS 13 1.504 0.684 5.270 106 HA LYS 13 HA LYS 13 1.676 3.329 4.408 107 HB2 LYS 13 1HB LYS 13 -0.058 2.591 5.919 108 HB3 LYS 13 2HB LYS 13 1.134 2.183 7.143 109 HG2 LYS 13 1HG LYS 13 1.666 4.512 7.466 110 HG3 LYS 13 2HG LYS 13 0.583 4.977 6.151 111 HD2 LYS 13 1HD LYS 13 -0.499 5.323 8.304 112 HD3 LYS 13 2HD LYS 13 -1.315 4.041 7.407 113 HE2 LYS 13 1HE LYS 13 0.082 2.394 8.709 114 HE3 LYS 13 2HE LYS 13 0.607 3.747 9.711 115 HZ1 LYS 13 3HZ LYS 13 -1.721 4.140 10.300 116 HZ2 LYS 13 1HZ LYS 13 -1.236 2.567 10.724 117 HZ3 LYS 13 2HZ LYS 13 -2.194 2.813 9.350 118 H GLU 14 H GLU 14 3.657 1.517 6.662 119 HA GLU 14 HA GLU 14 5.193 3.668 7.621 120 HB2 GLU 14 1HB GLU 14 6.009 0.775 7.343 121 HB3 GLU 14 2HB GLU 14 6.798 1.978 8.353 122 HG2 GLU 14 1HG GLU 14 4.662 2.212 9.613 123 HG3 GLU 14 2HG GLU 14 4.028 0.858 8.678 124 H PHE 15 H PHE 15 5.673 1.491 4.847 125 HA PHE 15 HA PHE 15 8.227 2.709 4.278 126 HB2 PHE 15 1HB PHE 15 7.777 0.283 3.975 127 HB3 PHE 15 2HB PHE 15 6.662 0.682 2.678 128 HD1 PHE 15 HD1 PHE 15 10.201 1.021 3.733 129 HD2 PHE 15 HD2 PHE 15 7.453 0.894 0.485 130 HE1 PHE 15 HE1 PHE 15 12.083 0.957 2.152 131 HE2 PHE 15 HE2 PHE 15 9.332 0.825 -1.102 132 HZ PHE 15 HZ PHE 15 11.650 0.858 -0.271 133 H VAL 16 H VAL 16 4.955 3.205 3.360 134 HA VAL 16 HA VAL 16 5.688 4.694 0.975 135 HB VAL 16 HB VAL 16 2.976 4.259 2.244 136 HG11 VAL 16 1HG1 VAL 16 3.017 6.379 1.046 137 HG12 VAL 16 2HG1 VAL 16 2.061 5.190 0.160 138 HG13 VAL 16 3HG1 VAL 16 3.697 5.580 -0.372 139 HG21 VAL 16 3HG2 VAL 16 2.579 2.801 0.320 140 HG22 VAL 16 1HG2 VAL 16 3.946 2.237 1.282 141 HG23 VAL 16 2HG2 VAL 16 4.226 3.089 -0.237 142 H LYS 17 H LYS 17 3.670 5.548 3.806 143 HA LYS 17 HA LYS 17 4.077 8.335 3.218 144 HB2 LYS 17 1HB LYS 17 1.896 7.546 3.966 145 HB3 LYS 17 2HB LYS 17 2.591 6.993 5.482 146 HG2 LYS 17 1HG LYS 17 1.421 9.074 5.816 147 HG3 LYS 17 2HG LYS 17 3.151 9.315 6.055 148 HD2 LYS 17 1HD LYS 17 3.315 10.201 3.751 149 HD3 LYS 17 2HD LYS 17 1.571 10.018 3.578 150 HE2 LYS 17 1HE LYS 17 2.935 11.760 5.631 151 HE3 LYS 17 2HE LYS 17 2.267 12.333 4.107 152 HZ1 LYS 17 3HZ LYS 17 0.742 11.075 6.328 153 HZ2 LYS 17 1HZ LYS 17 0.081 11.545 4.836 154 HZ3 LYS 17 2HZ LYS 17 0.721 12.710 5.891 155 H ARG 18 H ARG 18 5.362 6.008 5.464 156 HA ARG 18 HA ARG 18 6.557 8.128 7.072 157 HB2 ARG 18 1HB ARG 18 6.323 5.151 7.496 158 HB3 ARG 18 2HB ARG 18 7.244 6.199 8.562 159 HG2 ARG 18 1HG ARG 18 5.245 7.445 9.122 160 HG3 ARG 18 2HG ARG 18 4.302 6.484 7.979 161 HD2 ARG 18 1HD ARG 18 4.425 4.572 9.299 162 HD3 ARG 18 2HD ARG 18 5.813 5.170 10.209 163 HE ARG 18 HE ARG 18 3.462 6.769 10.572 164 HH11 ARG 18 1HH1 ARG 18 5.151 3.895 11.651 165 HH12 ARG 18 2HH1 ARG 18 4.380 3.880 13.210 166 HH21 ARG 18 1HH2 ARG 18 2.453 6.746 12.629 167 HH22 ARG 18 2HH2 ARG 18 2.859 5.490 13.761 168 H HIS 19 H HIS 19 7.395 6.823 4.300 169 HA HIS 19 HA HIS 19 10.253 7.065 4.950 170 HB2 HIS 19 1HB HIS 19 8.892 4.992 3.279 171 HB3 HIS 19 2HB HIS 19 10.504 5.526 2.817 172 HD1 HIS 19 HD1 HIS 19 8.689 3.724 5.602 173 HD2 HIS 19 HD2 HIS 19 12.561 4.570 4.356 174 HE1 HIS 19 HE1 HIS 19 10.218 2.278 7.002 175 H GLN 20 H GLN 20 9.134 9.287 4.409 176 HA GLN 20 HA GLN 20 8.875 11.082 3.081 177 HB2 GLN 20 1HB GLN 20 10.842 11.533 1.569 178 HB3 GLN 20 2HB GLN 20 11.205 11.221 3.255 179 HG2 GLN 20 1HG GLN 20 12.840 10.023 2.205 180 HG3 GLN 20 2HG GLN 20 11.606 8.787 2.435 181 HE21 GLN 20 1HE2 GLN 20 12.325 7.532 0.750 182 HE22 GLN 20 2HE2 GLN 20 12.114 7.984 -0.906 183 H ARG 21 H ARG 21 7.576 8.606 2.035 184 HA ARG 21 HA ARG 21 6.025 8.244 0.444 185 HB2 ARG 21 1HB ARG 21 7.026 10.823 -0.759 186 HB3 ARG 21 2HB ARG 21 5.674 9.895 -1.395 187 HG2 ARG 21 1HG ARG 21 4.359 10.306 0.511 188 HG3 ARG 21 2HG ARG 21 5.745 10.888 1.437 189 HD2 ARG 21 1HD ARG 21 4.522 12.223 -0.971 190 HD3 ARG 21 2HD ARG 21 4.344 12.739 0.707 191 HE ARG 21 HE ARG 21 7.076 12.586 0.090 192 HH11 ARG 21 1HH1 ARG 21 4.253 14.501 -0.662 193 HH12 ARG 21 2HH1 ARG 21 5.165 15.935 -1.030 194 HH21 ARG 21 1HH2 ARG 21 8.294 14.465 -0.369 195 HH22 ARG 21 2HH2 ARG 21 7.463 15.928 -0.827 196 H ILE 22 H ILE 22 5.849 7.779 -1.993 197 HA ILE 22 HA ILE 22 8.362 6.756 -3.048 198 HB ILE 22 HB ILE 22 7.637 5.101 -1.358 199 HG12 ILE 22 1HG1 ILE 22 7.250 4.021 -4.150 200 HG13 ILE 22 2HG1 ILE 22 8.823 4.381 -3.441 201 HG21 ILE 22 1HG2 ILE 22 5.253 5.471 -1.402 202 HG22 ILE 22 2HG2 ILE 22 5.597 3.776 -1.742 203 HG23 ILE 22 3HG2 ILE 22 5.159 4.867 -3.056 204 HD11 ILE 22 3HD1 ILE 22 8.325 2.011 -3.296 205 HD12 ILE 22 1HD1 ILE 22 6.834 2.361 -2.423 206 HD13 ILE 22 2HD1 ILE 22 8.393 2.727 -1.686 207 H THR 23 H THR 23 8.189 6.028 -5.244 208 HA THR 23 HA THR 23 5.942 7.131 -6.691 209 HB THR 23 HB THR 23 7.124 6.424 -8.722 210 HG1 THR 23 HG1 THR 23 9.156 5.389 -6.990 211 HG21 THR 23 3HG2 THR 23 9.119 7.813 -8.484 212 HG22 THR 23 1HG2 THR 23 8.975 7.737 -6.730 213 HG23 THR 23 2HG2 THR 23 7.738 8.559 -7.680 214 H GLN 24 H GLN 24 4.741 5.830 -8.299 215 HA GLN 24 HA GLN 24 3.604 3.531 -7.079 216 HB2 GLN 24 1HB GLN 24 2.457 5.142 -8.668 217 HB3 GLN 24 2HB GLN 24 3.318 4.340 -9.975 218 HG2 GLN 24 1HG GLN 24 2.246 2.210 -9.309 219 HG3 GLN 24 2HG GLN 24 1.315 3.097 -8.104 220 HE21 GLN 24 1HE2 GLN 24 2.149 4.282 -11.300 221 HE22 GLN 24 2HE2 GLN 24 0.530 4.301 -11.914 222 H GLU 25 H GLU 25 6.134 4.048 -9.369 223 HA GLU 25 HA GLU 25 6.436 1.524 -10.517 224 HB2 GLU 25 1HB GLU 25 7.674 3.570 -11.188 225 HB3 GLU 25 2HB GLU 25 8.597 3.474 -9.695 226 HG2 GLU 25 1HG GLU 25 9.946 2.598 -11.437 227 HG3 GLU 25 2HG GLU 25 9.421 1.242 -10.438 228 H GLU 26 H GLU 26 8.254 2.876 -7.787 229 HA GLU 26 HA GLU 26 9.404 0.438 -6.956 230 HB2 GLU 26 1HB GLU 26 8.885 2.897 -5.283 231 HB3 GLU 26 2HB GLU 26 10.095 1.661 -4.983 232 HG2 GLU 26 1HG GLU 26 11.438 2.385 -6.734 233 HG3 GLU 26 2HG GLU 26 10.121 3.280 -7.495 234 H LEU 27 H LEU 27 6.436 2.098 -6.170 235 HA LEU 27 HA LEU 27 5.667 0.751 -3.861 236 HB2 LEU 27 1HB LEU 27 4.599 2.783 -4.884 237 HB3 LEU 27 2HB LEU 27 3.857 1.736 -6.072 238 HG LEU 27 HG LEU 27 2.390 2.485 -4.142 239 HD11 LEU 27 1HD1 LEU 27 1.337 0.257 -3.873 240 HD12 LEU 27 2HD1 LEU 27 2.730 -0.460 -4.679 241 HD13 LEU 27 3HD1 LEU 27 1.692 0.668 -5.550 242 HD21 LEU 27 3HD2 LEU 27 4.062 0.472 -2.638 243 HD22 LEU 27 1HD2 LEU 27 2.599 1.260 -2.043 244 HD23 LEU 27 2HD2 LEU 27 4.047 2.214 -2.362 245 H HIS 28 H HIS 28 4.927 -0.026 -7.271 246 HA HIS 28 HA HIS 28 3.349 -2.284 -6.605 247 HB2 HIS 28 1HB HIS 28 3.390 -0.921 -8.809 248 HB3 HIS 28 2HB HIS 28 4.720 -1.985 -9.263 249 HD1 HIS 28 HD1 HIS 28 3.766 -4.706 -8.389 250 HD2 HIS 28 HD2 HIS 28 1.232 -1.873 -10.070 251 HE1 HIS 28 HE1 HIS 28 1.762 -5.974 -9.255 252 H GLN 29 H GLN 29 6.756 -1.873 -7.366 253 HA GLN 29 HA GLN 29 7.425 -4.608 -7.538 254 HB2 GLN 29 1HB GLN 29 8.918 -2.807 -8.285 255 HB3 GLN 29 2HB GLN 29 9.103 -2.261 -6.625 256 HG2 GLN 29 1HG GLN 29 11.032 -3.534 -7.371 257 HG3 GLN 29 2HG GLN 29 10.205 -4.336 -6.037 258 HE21 GLN 29 1HE2 GLN 29 11.068 -6.324 -6.547 259 HE22 GLN 29 2HE2 GLN 29 10.558 -7.242 -7.927 260 H TYR 30 H TYR 30 7.283 -2.336 -4.839 261 HA TYR 30 HA TYR 30 8.146 -4.224 -2.880 262 HB2 TYR 30 1HB TYR 30 8.340 -1.721 -2.698 263 HB3 TYR 30 2HB TYR 30 6.600 -1.664 -2.439 264 HD1 TYR 30 HD1 TYR 30 9.648 -3.337 -1.062 265 HD2 TYR 30 HD2 TYR 30 5.819 -1.662 -0.262 266 HE1 TYR 30 HE1 TYR 30 10.014 -3.666 1.349 267 HE2 TYR 30 HE2 TYR 30 6.178 -1.977 2.146 268 HH TYR 30 HH TYR 30 9.145 -2.595 3.513 269 H ALA 31 H ALA 31 5.150 -3.535 -4.418 270 HA ALA 31 HA ALA 31 3.353 -4.464 -2.455 271 HB1 ALA 31 3HB ALA 31 2.638 -3.172 -4.427 272 HB2 ALA 31 1HB ALA 31 1.749 -4.687 -4.280 273 HB3 ALA 31 2HB ALA 31 3.049 -4.539 -5.459 274 H GLN 32 H GLN 32 4.894 -6.100 -5.209 275 HA GLN 32 HA GLN 32 3.813 -8.659 -4.615 276 HB2 GLN 32 1HB GLN 32 6.322 -7.981 -6.160 277 HB3 GLN 32 2HB GLN 32 5.474 -9.519 -6.189 278 HG2 GLN 32 1HG GLN 32 4.378 -6.891 -7.160 279 HG3 GLN 32 2HG GLN 32 5.001 -8.191 -8.171 280 HE21 GLN 32 1HE2 GLN 32 3.827 -10.287 -6.510 281 HE22 GLN 32 2HE2 GLN 32 2.126 -10.252 -6.827 282 H ARG 33 H ARG 33 6.501 -6.854 -3.441 283 HA ARG 33 HA ARG 33 8.061 -8.942 -2.391 284 HB2 ARG 33 1HB ARG 33 8.916 -6.664 -2.665 285 HB3 ARG 33 2HB ARG 33 7.781 -6.076 -1.462 286 HG2 ARG 33 1HG ARG 33 9.974 -6.242 -0.495 287 HG3 ARG 33 2HG ARG 33 8.919 -7.445 0.244 288 HD2 ARG 33 1HD ARG 33 11.232 -8.240 -0.321 289 HD3 ARG 33 2HD ARG 33 9.927 -9.211 -0.997 290 HE ARG 33 HE ARG 33 11.294 -7.148 -2.602 291 HH11 ARG 33 1HH1 ARG 33 10.317 -10.473 -2.094 292 HH12 ARG 33 2HH1 ARG 33 10.738 -10.971 -3.709 293 HH21 ARG 33 1HH2 ARG 33 11.854 -7.820 -4.729 294 HH22 ARG 33 2HH2 ARG 33 11.610 -9.481 -5.194 295 H LEU 34 H LEU 34 5.455 -6.993 -0.931 296 HA LEU 34 HA LEU 34 5.712 -8.471 1.553 297 HB2 LEU 34 1HB LEU 34 3.923 -6.199 0.738 298 HB3 LEU 34 2HB LEU 34 3.817 -6.992 2.296 299 HG LEU 34 HG LEU 34 6.103 -5.357 1.221 300 HD11 LEU 34 1HD1 LEU 34 5.658 -4.029 3.249 301 HD12 LEU 34 2HD1 LEU 34 4.284 -5.073 3.606 302 HD13 LEU 34 3HD1 LEU 34 4.280 -4.079 2.150 303 HD21 LEU 34 3HD2 LEU 34 6.008 -6.983 3.763 304 HD22 LEU 34 1HD2 LEU 34 7.289 -5.863 3.294 305 HD23 LEU 34 2HD2 LEU 34 7.009 -7.327 2.351 306 H GLY 35 H GLY 35 3.581 -8.428 -1.217 307 HA2 GLY 35 1HA GLY 35 2.372 -10.585 -1.517 308 HA3 GLY 35 2HA GLY 35 1.915 -10.444 0.175 309 H LEU 36 H LEU 36 1.922 -7.872 -2.265 310 HA LEU 36 HA LEU 36 -0.926 -7.500 -1.718 311 HB2 LEU 36 1HB LEU 36 1.008 -5.715 -3.189 312 HB3 LEU 36 2HB LEU 36 -0.689 -5.369 -2.915 313 HG LEU 36 HG LEU 36 1.410 -5.643 -0.765 314 HD11 LEU 36 1HD1 LEU 36 1.156 -3.266 -0.482 315 HD12 LEU 36 2HD1 LEU 36 -0.083 -3.210 -1.733 316 HD13 LEU 36 3HD1 LEU 36 1.583 -3.600 -2.159 317 HD21 LEU 36 3HD2 LEU 36 -0.359 -4.864 0.735 318 HD22 LEU 36 1HD2 LEU 36 -0.780 -6.405 -0.014 319 HD23 LEU 36 2HD2 LEU 36 -1.511 -4.910 -0.600 320 H ASN 37 H ASN 37 -2.409 -8.066 -3.081 321 HA ASN 37 HA ASN 37 -1.737 -8.502 -5.893 322 HB2 ASN 37 1HB ASN 37 -4.189 -9.303 -5.989 323 HB3 ASN 37 2HB ASN 37 -3.032 -10.324 -5.150 324 HD21 ASN 37 1HD2 ASN 37 -4.312 -7.380 -3.737 325 HD22 ASN 37 2HD2 ASN 37 -5.270 -8.166 -2.523 326 H GLU 38 H GLU 38 -3.229 -7.507 -7.520 327 HA GLU 38 HA GLU 38 -3.111 -4.753 -7.319 328 HB2 GLU 38 1HB GLU 38 -4.817 -6.504 -9.085 329 HB3 GLU 38 2HB GLU 38 -4.724 -4.758 -9.277 330 HG2 GLU 38 1HG GLU 38 -2.374 -4.878 -9.748 331 HG3 GLU 38 2HG GLU 38 -2.350 -6.603 -9.386 332 H GLU 39 H GLU 39 -5.742 -6.873 -6.411 333 HA GLU 39 HA GLU 39 -7.834 -5.120 -6.011 334 HB2 GLU 39 1HB GLU 39 -8.053 -7.512 -5.709 335 HB3 GLU 39 2HB GLU 39 -6.948 -7.474 -4.341 336 HG2 GLU 39 1HG GLU 39 -9.269 -7.706 -3.630 337 HG3 GLU 39 2HG GLU 39 -8.562 -6.199 -3.050 338 H ALA 40 H ALA 40 -5.182 -5.890 -3.801 339 HA ALA 40 HA ALA 40 -6.131 -4.104 -1.755 340 HB1 ALA 40 3HB ALA 40 -3.505 -5.565 -1.979 341 HB2 ALA 40 1HB ALA 40 -4.958 -6.172 -1.185 342 HB3 ALA 40 2HB ALA 40 -4.129 -4.756 -0.541 343 H ILE 41 H ILE 41 -3.767 -4.035 -4.325 344 HA ILE 41 HA ILE 41 -2.311 -1.765 -3.523 345 HB ILE 41 HB ILE 41 -2.886 -2.700 -6.346 346 HG12 ILE 41 1HG1 ILE 41 -0.621 -3.406 -4.461 347 HG13 ILE 41 2HG1 ILE 41 -1.930 -4.481 -4.949 348 HG21 ILE 41 1HG2 ILE 41 -0.821 -1.536 -6.936 349 HG22 ILE 41 2HG2 ILE 41 -0.648 -0.986 -5.270 350 HG23 ILE 41 3HG2 ILE 41 -2.004 -0.423 -6.247 351 HD11 ILE 41 3HD1 ILE 41 0.183 -3.327 -6.755 352 HD12 ILE 41 1HD1 ILE 41 -1.133 -4.391 -7.254 353 HD13 ILE 41 2HD1 ILE 41 0.109 -4.983 -6.148 354 H ARG 42 H ARG 42 -5.217 -2.136 -5.524 355 HA ARG 42 HA ARG 42 -5.637 0.639 -5.936 356 HB2 ARG 42 1HB ARG 42 -6.755 -0.917 -7.376 357 HB3 ARG 42 2HB ARG 42 -7.521 -1.722 -6.011 358 HG2 ARG 42 1HG ARG 42 -8.702 0.448 -5.548 359 HG3 ARG 42 2HG ARG 42 -8.079 1.016 -7.095 360 HD2 ARG 42 1HD ARG 42 -9.355 -0.507 -8.308 361 HD3 ARG 42 2HD ARG 42 -9.615 -1.546 -6.904 362 HE ARG 42 HE ARG 42 -10.869 0.623 -6.091 363 HH11 ARG 42 1HH1 ARG 42 -10.989 -0.990 -9.205 364 HH12 ARG 42 2HH1 ARG 42 -12.572 -0.386 -9.596 365 HH21 ARG 42 1HH2 ARG 42 -12.958 1.388 -6.592 366 HH22 ARG 42 2HH2 ARG 42 -13.694 0.957 -8.105 367 H GLN 43 H GLN 43 -6.795 -1.661 -3.524 368 HA GLN 43 HA GLN 43 -8.707 -0.148 -2.226 369 HB2 GLN 43 1HB GLN 43 -8.275 -2.552 -1.829 370 HB3 GLN 43 2HB GLN 43 -6.787 -2.140 -0.986 371 HG2 GLN 43 1HG GLN 43 -8.600 -2.668 0.555 372 HG3 GLN 43 2HG GLN 43 -8.048 -1.003 0.739 373 HE21 GLN 43 1HE2 GLN 43 -10.632 -3.058 -0.378 374 HE22 GLN 43 2HE2 GLN 43 -11.835 -1.819 -0.476 375 H PHE 44 H PHE 44 -5.247 -0.376 -1.480 376 HA PHE 44 HA PHE 44 -5.319 1.228 0.830 377 HB2 PHE 44 1HB PHE 44 -3.518 -0.401 0.159 378 HB3 PHE 44 2HB PHE 44 -2.946 0.801 -0.990 379 HD1 PHE 44 HD1 PHE 44 -3.572 0.211 2.614 380 HD2 PHE 44 HD2 PHE 44 -1.488 2.490 -0.315 381 HE1 PHE 44 HE1 PHE 44 -2.202 1.228 4.385 382 HE2 PHE 44 HE2 PHE 44 -0.117 3.513 1.452 383 HZ PHE 44 HZ PHE 44 -0.474 2.882 3.805 384 H PHE 45 H PHE 45 -5.098 2.065 -2.550 385 HA PHE 45 HA PHE 45 -4.214 4.764 -1.902 386 HB2 PHE 45 1HB PHE 45 -4.473 3.232 -4.468 387 HB3 PHE 45 2HB PHE 45 -4.298 4.984 -4.481 388 HD1 PHE 45 HD1 PHE 45 -2.700 2.009 -2.882 389 HD2 PHE 45 HD2 PHE 45 -2.177 5.830 -4.680 390 HE1 PHE 45 HE1 PHE 45 -0.262 1.771 -2.670 391 HE2 PHE 45 HE2 PHE 45 0.263 5.596 -4.475 392 HZ PHE 45 HZ PHE 45 1.228 3.562 -3.473 393 H GLU 46 H GLU 46 -7.077 3.125 -3.185 394 HA GLU 46 HA GLU 46 -8.350 5.531 -4.025 395 HB2 GLU 46 1HB GLU 46 -10.240 4.210 -4.532 396 HB3 GLU 46 2HB GLU 46 -8.847 3.194 -4.852 397 HG2 GLU 46 1HG GLU 46 -9.178 2.036 -2.743 398 HG3 GLU 46 2HG GLU 46 -10.564 3.068 -2.393 399 H GLU 47 H GLU 47 -8.546 3.530 -1.153 400 HA GLU 47 HA GLU 47 -10.226 5.583 0.112 401 HB2 GLU 47 1HB GLU 47 -9.896 2.640 0.638 402 HB3 GLU 47 2HB GLU 47 -10.645 3.711 1.816 403 HG2 GLU 47 1HG GLU 47 -12.307 4.355 0.099 404 HG3 GLU 47 2HG GLU 47 -11.592 3.167 -0.990 405 H PHE 48 H PHE 48 -7.401 5.901 -0.207 406 HA PHE 48 HA PHE 48 -6.111 5.287 2.269 407 HB2 PHE 48 1HB PHE 48 -4.899 5.640 0.107 408 HB3 PHE 48 2HB PHE 48 -5.290 7.351 0.214 409 HD1 PHE 48 HD1 PHE 48 -3.576 4.605 2.033 410 HD2 PHE 48 HD2 PHE 48 -3.889 8.802 1.370 411 HE1 PHE 48 HE1 PHE 48 -1.554 4.974 3.390 412 HE2 PHE 48 HE2 PHE 48 -1.869 9.171 2.725 413 HZ PHE 48 HZ PHE 48 -0.699 7.255 3.736 414 H GLU 49 H GLU 49 -6.722 8.519 0.884 415 HA GLU 49 HA GLU 49 -7.302 9.458 3.609 416 HB2 GLU 49 1HB GLU 49 -6.606 11.687 2.822 417 HB3 GLU 49 2HB GLU 49 -5.318 10.498 2.662 418 HG2 GLU 49 1HG GLU 49 -5.692 10.314 0.309 419 HG3 GLU 49 2HG GLU 49 -7.129 11.331 0.407 420 H GLN 50 H GLN 50 -8.846 8.465 1.003 421 HA GLN 50 HA GLN 50 -10.815 10.625 0.903 422 HB2 GLN 50 1HB GLN 50 -10.463 8.153 -0.804 423 HB3 GLN 50 2HB GLN 50 -11.793 9.292 -0.984 424 HG2 GLN 50 1HG GLN 50 -10.111 11.086 -1.383 425 HG3 GLN 50 2HG GLN 50 -8.860 9.845 -1.377 426 HE21 GLN 50 1HE2 GLN 50 -10.521 7.870 -2.717 427 HE22 GLN 50 2HE2 GLN 50 -10.643 8.377 -4.373 428 H ARG 51 H ARG 51 -10.380 8.778 3.158 429 HA ARG 51 HA ARG 51 -12.692 7.080 3.295 430 HB2 ARG 51 1HB ARG 51 -10.679 7.992 5.355 431 HB3 ARG 51 2HB ARG 51 -11.997 6.885 5.720 432 HG2 ARG 51 1HG ARG 51 -11.099 5.209 4.362 433 HG3 ARG 51 2HG ARG 51 -10.021 6.338 3.542 434 HD2 ARG 51 1HD ARG 51 -8.628 6.541 5.447 435 HD3 ARG 51 2HD ARG 51 -9.796 5.699 6.475 436 HE ARG 51 HE ARG 51 -9.261 3.804 4.690 437 HH11 ARG 51 1HH1 ARG 51 -7.069 5.924 6.419 438 HH12 ARG 51 2HH1 ARG 51 -5.746 4.813 6.335 439 HH21 ARG 51 1HH2 ARG 51 -7.526 2.353 4.595 440 HH22 ARG 51 2HH2 ARG 51 -5.991 2.782 5.300 441 H LYS 52 H LYS 52 -14.147 8.837 2.635 442 HA LYS 52 HA LYS 52 -15.778 10.361 3.012 443 HB2 LYS 52 1HB LYS 52 -15.320 9.687 5.926 444 HB3 LYS 52 2HB LYS 52 -16.689 10.591 5.296 445 HG2 LYS 52 1HG LYS 52 -17.419 8.639 4.039 446 HG3 LYS 52 2HG LYS 52 -16.028 7.729 4.631 447 HD2 LYS 52 1HD LYS 52 -17.967 7.154 5.944 448 HD3 LYS 52 2HD LYS 52 -16.848 8.079 6.946 449 HE2 LYS 52 1HE LYS 52 -18.193 10.113 6.476 450 HE3 LYS 52 2HE LYS 52 -19.346 9.104 5.602 451 HZ1 LYS 52 3HZ LYS 52 -20.120 9.468 7.832 452 HZ2 LYS 52 1HZ LYS 52 -18.658 8.909 8.483 453 HZ3 LYS 52 2HZ LYS 52 -19.684 7.836 7.667 Start of MODEL 5 1 H1 MET 1 1H MET 1 -10.809 -2.150 4.250 2 H2 MET 1 2H MET 1 -12.425 -2.079 3.745 3 H3 MET 1 3H MET 1 -11.221 -2.552 2.652 4 HA MET 1 HA MET 1 -12.089 -4.034 5.068 5 HB2 MET 1 1HB MET 1 -13.550 -4.010 2.941 6 HB3 MET 1 2HB MET 1 -12.248 -4.916 2.183 7 HG2 MET 1 1HG MET 1 -13.886 -6.471 2.899 8 HG3 MET 1 2HG MET 1 -12.501 -6.628 3.978 9 HE1 MET 1 3HE MET 1 -14.080 -8.010 5.623 10 HE2 MET 1 1HE MET 1 -15.476 -7.759 4.575 11 HE3 MET 1 2HE MET 1 -15.587 -7.380 6.293 12 H LYS 2 H LYS 2 -10.753 -5.834 5.645 13 HA LYS 2 HA LYS 2 -8.044 -5.664 4.763 14 HB2 LYS 2 1HB LYS 2 -9.439 -7.752 6.450 15 HB3 LYS 2 2HB LYS 2 -7.702 -7.686 6.179 16 HG2 LYS 2 1HG LYS 2 -7.650 -5.460 7.228 17 HG3 LYS 2 2HG LYS 2 -9.379 -5.595 7.549 18 HD2 LYS 2 1HD LYS 2 -7.247 -7.450 8.604 19 HD3 LYS 2 2HD LYS 2 -8.014 -6.153 9.516 20 HE2 LYS 2 1HE LYS 2 -9.405 -7.769 10.206 21 HE3 LYS 2 2HE LYS 2 -10.182 -7.528 8.642 22 HZ1 LYS 2 3HZ LYS 2 -9.729 -9.873 9.106 23 HZ2 LYS 2 1HZ LYS 2 -8.071 -9.542 9.213 24 HZ3 LYS 2 2HZ LYS 2 -8.881 -9.346 7.735 25 H GLN 3 H GLN 3 -6.827 -7.397 3.770 26 HA GLN 3 HA GLN 3 -8.009 -9.409 2.202 27 HB2 GLN 3 1HB GLN 3 -9.051 -7.454 1.064 28 HB3 GLN 3 2HB GLN 3 -7.442 -6.826 0.718 29 HG2 GLN 3 1HG GLN 3 -8.448 -7.936 -1.217 30 HG3 GLN 3 2HG GLN 3 -6.968 -8.733 -0.689 31 HE21 GLN 3 1HE2 GLN 3 -7.066 -10.769 0.198 32 HE22 GLN 3 2HE2 GLN 3 -8.478 -11.765 0.116 33 H TRP 4 H TRP 4 -5.596 -6.829 1.974 34 HA TRP 4 HA TRP 4 -3.522 -8.415 0.928 35 HB2 TRP 4 1HB TRP 4 -2.041 -6.548 1.866 36 HB3 TRP 4 2HB TRP 4 -3.235 -6.102 0.660 37 HD1 TRP 4 HD1 TRP 4 -5.087 -6.403 3.820 38 HE1 TRP 4 HE1 TRP 4 -5.432 -4.098 4.905 39 HE3 TRP 4 HE3 TRP 4 -1.683 -3.738 1.135 40 HZ2 TRP 4 HZ2 TRP 4 -4.418 -1.506 4.636 41 HZ3 TRP 4 HZ3 TRP 4 -1.432 -1.342 1.607 42 HH2 TRP 4 HH2 TRP 4 -2.767 -0.250 3.326 43 H SER 5 H SER 5 -1.488 -8.908 2.062 44 HA SER 5 HA SER 5 -1.798 -10.631 4.175 45 HB2 SER 5 1HB SER 5 0.687 -9.028 3.538 46 HB3 SER 5 2HB SER 5 0.622 -10.566 4.400 47 HG SER 5 HG SER 5 1.155 -10.633 2.076 48 H GLU 6 H GLU 6 -2.150 -10.413 6.240 49 HA GLU 6 HA GLU 6 -3.044 -8.175 7.472 50 HB2 GLU 6 1HB GLU 6 -3.402 -10.409 8.329 51 HB3 GLU 6 2HB GLU 6 -1.698 -10.566 8.728 52 HG2 GLU 6 1HG GLU 6 -1.894 -8.883 10.436 53 HG3 GLU 6 2HG GLU 6 -3.571 -8.574 9.983 54 H ASN 7 H ASN 7 0.336 -9.276 7.475 55 HA ASN 7 HA ASN 7 1.081 -7.191 9.336 56 HB2 ASN 7 1HB ASN 7 2.691 -9.294 7.902 57 HB3 ASN 7 2HB ASN 7 3.407 -8.097 8.980 58 HD21 ASN 7 1HD2 ASN 7 3.022 -8.220 11.177 59 HD22 ASN 7 2HD2 ASN 7 2.375 -9.645 11.929 60 H VAL 8 H VAL 8 0.721 -7.416 5.983 61 HA VAL 8 HA VAL 8 2.852 -5.578 5.313 62 HB VAL 8 HB VAL 8 0.592 -6.683 3.640 63 HG11 VAL 8 1HG1 VAL 8 2.988 -5.033 2.841 64 HG12 VAL 8 2HG1 VAL 8 1.293 -4.547 2.751 65 HG13 VAL 8 3HG1 VAL 8 1.897 -5.840 1.718 66 HG21 VAL 8 3HG2 VAL 8 2.373 -8.048 2.621 67 HG22 VAL 8 1HG2 VAL 8 2.166 -8.384 4.340 68 HG23 VAL 8 2HG2 VAL 8 3.517 -7.393 3.794 69 H GLU 9 H GLU 9 -0.631 -5.558 5.744 70 HA GLU 9 HA GLU 9 -1.393 -3.062 4.942 71 HB2 GLU 9 1HB GLU 9 -2.994 -4.615 5.873 72 HB3 GLU 9 2HB GLU 9 -2.169 -4.600 7.433 73 HG2 GLU 9 1HG GLU 9 -2.786 -2.232 7.710 74 HG3 GLU 9 2HG GLU 9 -3.654 -2.298 6.177 75 H GLU 10 H GLU 10 0.107 -3.942 8.001 76 HA GLU 10 HA GLU 10 0.151 -1.369 9.137 77 HB2 GLU 10 1HB GLU 10 0.334 -3.174 10.619 78 HB3 GLU 10 2HB GLU 10 1.624 -3.929 9.693 79 HG2 GLU 10 1HG GLU 10 3.171 -2.203 10.376 80 HG3 GLU 10 2HG GLU 10 1.880 -1.358 11.238 81 H LYS 11 H LYS 11 2.796 -3.244 7.623 82 HA LYS 11 HA LYS 11 4.650 -1.143 8.122 83 HB2 LYS 11 1HB LYS 11 5.348 -3.470 8.121 84 HB3 LYS 11 2HB LYS 11 4.949 -3.607 6.411 85 HG2 LYS 11 1HG LYS 11 6.694 -2.087 5.805 86 HG3 LYS 11 2HG LYS 11 7.000 -1.683 7.492 87 HD2 LYS 11 1HD LYS 11 8.711 -3.183 6.724 88 HD3 LYS 11 2HD LYS 11 7.683 -4.035 7.877 89 HE2 LYS 11 1HE LYS 11 6.498 -5.113 6.039 90 HE3 LYS 11 2HE LYS 11 7.478 -4.227 4.871 91 HZ1 LYS 11 3HZ LYS 11 9.443 -5.345 5.719 92 HZ2 LYS 11 1HZ LYS 11 8.291 -6.481 5.200 93 HZ3 LYS 11 2HZ LYS 11 8.503 -6.185 6.855 94 H LEU 12 H LEU 12 2.675 -2.031 5.352 95 HA LEU 12 HA LEU 12 4.039 -0.459 3.447 96 HB2 LEU 12 1HB LEU 12 2.204 -2.091 2.931 97 HB3 LEU 12 2HB LEU 12 1.058 -0.921 3.556 98 HG LEU 12 HG LEU 12 1.852 0.693 1.817 99 HD11 LEU 12 1HD1 LEU 12 3.068 -0.283 -0.114 100 HD12 LEU 12 2HD1 LEU 12 3.359 -1.730 0.851 101 HD13 LEU 12 3HD1 LEU 12 4.031 -0.179 1.358 102 HD21 LEU 12 3HD2 LEU 12 0.675 -0.387 -0.041 103 HD22 LEU 12 1HD2 LEU 12 -0.190 -0.578 1.484 104 HD23 LEU 12 2HD2 LEU 12 0.736 -1.924 0.823 105 H LYS 13 H LYS 13 1.514 0.290 5.789 106 HA LYS 13 HA LYS 13 1.029 2.944 5.117 107 HB2 LYS 13 1HB LYS 13 -0.236 1.602 6.794 108 HB3 LYS 13 2HB LYS 13 1.115 1.761 7.898 109 HG2 LYS 13 1HG LYS 13 0.787 4.227 7.767 110 HG3 LYS 13 2HG LYS 13 -0.694 3.924 6.867 111 HD2 LYS 13 1HD LYS 13 -1.398 4.171 9.090 112 HD3 LYS 13 2HD LYS 13 -1.369 2.427 8.820 113 HE2 LYS 13 1HE LYS 13 -0.352 2.732 10.922 114 HE3 LYS 13 2HE LYS 13 0.990 2.477 9.806 115 HZ1 LYS 13 3HZ LYS 13 0.034 5.124 10.754 116 HZ2 LYS 13 1HZ LYS 13 1.359 4.848 9.731 117 HZ3 LYS 13 2HZ LYS 13 1.397 4.306 11.335 118 H GLU 14 H GLU 14 3.542 1.513 7.112 119 HA GLU 14 HA GLU 14 4.677 3.993 7.923 120 HB2 GLU 14 1HB GLU 14 5.989 1.272 7.847 121 HB3 GLU 14 2HB GLU 14 6.517 2.666 8.778 122 HG2 GLU 14 1HG GLU 14 4.236 2.542 9.916 123 HG3 GLU 14 2HG GLU 14 4.114 0.933 9.206 124 H PHE 15 H PHE 15 5.267 1.750 5.278 125 HA PHE 15 HA PHE 15 7.741 2.935 4.499 126 HB2 PHE 15 1HB PHE 15 7.075 0.552 4.141 127 HB3 PHE 15 2HB PHE 15 5.925 1.102 2.933 128 HD1 PHE 15 HD1 PHE 15 9.530 1.625 3.740 129 HD2 PHE 15 HD2 PHE 15 6.603 0.840 0.755 130 HE1 PHE 15 HE1 PHE 15 11.308 1.470 2.047 131 HE2 PHE 15 HE2 PHE 15 8.373 0.684 -0.942 132 HZ PHE 15 HZ PHE 15 10.727 1.001 -0.298 133 H VAL 16 H VAL 16 4.455 3.720 3.949 134 HA VAL 16 HA VAL 16 5.045 5.235 1.535 135 HB VAL 16 HB VAL 16 2.442 4.884 3.036 136 HG11 VAL 16 1HG1 VAL 16 1.383 5.972 1.110 137 HG12 VAL 16 2HG1 VAL 16 2.977 6.308 0.429 138 HG13 VAL 16 3HG1 VAL 16 2.490 7.062 1.947 139 HG21 VAL 16 3HG2 VAL 16 3.204 2.870 1.885 140 HG22 VAL 16 1HG2 VAL 16 3.401 3.787 0.391 141 HG23 VAL 16 2HG2 VAL 16 1.792 3.554 1.078 142 H LYS 17 H LYS 17 3.800 5.944 4.824 143 HA LYS 17 HA LYS 17 4.240 8.789 4.255 144 HB2 LYS 17 1HB LYS 17 1.993 8.246 4.922 145 HB3 LYS 17 2HB LYS 17 2.571 7.427 6.364 146 HG2 LYS 17 1HG LYS 17 1.632 9.631 6.862 147 HG3 LYS 17 2HG LYS 17 3.337 9.522 7.295 148 HD2 LYS 17 1HD LYS 17 2.824 11.663 6.218 149 HD3 LYS 17 2HD LYS 17 3.955 10.713 5.261 150 HE2 LYS 17 1HE LYS 17 2.147 10.021 3.781 151 HE3 LYS 17 2HE LYS 17 0.989 10.929 4.753 152 HZ1 LYS 17 3HZ LYS 17 1.764 12.096 2.713 153 HZ2 LYS 17 1HZ LYS 17 3.318 12.167 3.386 154 HZ3 LYS 17 2HZ LYS 17 2.026 12.966 4.142 155 H ARG 18 H ARG 18 5.111 6.276 6.573 156 HA ARG 18 HA ARG 18 6.535 8.140 8.277 157 HB2 ARG 18 1HB ARG 18 6.277 5.128 8.345 158 HB3 ARG 18 2HB ARG 18 7.187 6.057 9.527 159 HG2 ARG 18 1HG ARG 18 5.184 7.173 10.270 160 HG3 ARG 18 2HG ARG 18 4.239 6.382 9.003 161 HD2 ARG 18 1HD ARG 18 4.528 4.246 9.998 162 HD3 ARG 18 2HD ARG 18 5.762 4.853 11.101 163 HE ARG 18 HE ARG 18 3.285 6.192 11.499 164 HH11 ARG 18 1HH1 ARG 18 4.928 3.144 12.131 165 HH12 ARG 18 2HH1 ARG 18 3.985 2.800 13.549 166 HH21 ARG 18 1HH2 ARG 18 2.068 5.723 13.370 167 HH22 ARG 18 2HH2 ARG 18 2.374 4.261 14.263 168 H HIS 19 H HIS 19 7.223 7.120 5.359 169 HA HIS 19 HA HIS 19 10.078 6.624 5.892 170 HB2 HIS 19 1HB HIS 19 8.457 4.799 4.818 171 HB3 HIS 19 2HB HIS 19 8.789 5.712 3.353 172 HD1 HIS 19 HD1 HIS 19 10.496 3.514 5.907 173 HD2 HIS 19 HD2 HIS 19 11.283 5.344 2.254 174 HE1 HIS 19 HE1 HIS 19 12.649 2.503 5.052 175 H GLN 20 H GLN 20 11.050 6.944 3.340 176 HA GLN 20 HA GLN 20 10.862 9.823 3.058 177 HB2 GLN 20 1HB GLN 20 12.620 7.809 1.645 178 HB3 GLN 20 2HB GLN 20 12.744 9.553 1.474 179 HG2 GLN 20 1HG GLN 20 13.165 8.007 4.022 180 HG3 GLN 20 2HG GLN 20 14.434 8.651 2.984 181 HE21 GLN 20 1HE2 GLN 20 12.917 11.113 2.432 182 HE22 GLN 20 2HE2 GLN 20 13.053 12.068 3.869 183 H ARG 21 H ARG 21 8.708 7.898 2.159 184 HA ARG 21 HA ARG 21 7.152 7.775 0.530 185 HB2 ARG 21 1HB ARG 21 8.633 10.223 -0.341 186 HB3 ARG 21 2HB ARG 21 7.418 9.534 -1.401 187 HG2 ARG 21 1HG ARG 21 6.878 10.276 1.457 188 HG3 ARG 21 2HG ARG 21 6.637 11.379 0.100 189 HD2 ARG 21 1HD ARG 21 5.358 8.673 0.395 190 HD3 ARG 21 2HD ARG 21 4.564 10.207 0.751 191 HE ARG 21 HE ARG 21 4.938 10.742 -1.665 192 HH11 ARG 21 1HH1 ARG 21 4.699 7.425 -0.565 193 HH12 ARG 21 2HH1 ARG 21 4.220 6.811 -2.114 194 HH21 ARG 21 1HH2 ARG 21 4.298 9.954 -3.697 195 HH22 ARG 21 2HH2 ARG 21 3.989 8.256 -3.913 196 H ILE 22 H ILE 22 7.021 7.608 -2.062 197 HA ILE 22 HA ILE 22 9.246 6.477 -3.379 198 HB ILE 22 HB ILE 22 9.031 4.711 -1.722 199 HG12 ILE 22 1HG1 ILE 22 7.968 3.809 -4.404 200 HG13 ILE 22 2HG1 ILE 22 9.666 4.073 -4.013 201 HG21 ILE 22 1HG2 ILE 22 6.186 4.430 -2.676 202 HG22 ILE 22 2HG2 ILE 22 6.708 5.042 -1.106 203 HG23 ILE 22 3HG2 ILE 22 6.998 3.355 -1.538 204 HD11 ILE 22 3HD1 ILE 22 9.538 2.291 -2.342 205 HD12 ILE 22 1HD1 ILE 22 9.141 1.723 -3.964 206 HD13 ILE 22 2HD1 ILE 22 7.854 2.011 -2.792 207 H THR 23 H THR 23 8.749 5.894 -5.514 208 HA THR 23 HA THR 23 6.360 7.069 -6.541 209 HB THR 23 HB THR 23 7.232 6.249 -8.760 210 HG1 THR 23 HG1 THR 23 9.034 5.083 -8.842 211 HG21 THR 23 3HG2 THR 23 7.761 8.487 -7.883 212 HG22 THR 23 1HG2 THR 23 9.087 7.819 -8.835 213 HG23 THR 23 2HG2 THR 23 9.180 7.822 -7.075 214 H GLN 24 H GLN 24 4.963 5.937 -8.123 215 HA GLN 24 HA GLN 24 3.600 3.872 -6.788 216 HB2 GLN 24 1HB GLN 24 2.528 5.513 -8.280 217 HB3 GLN 24 2HB GLN 24 3.325 4.767 -9.659 218 HG2 GLN 24 1HG GLN 24 2.131 2.672 -9.187 219 HG3 GLN 24 2HG GLN 24 1.292 3.473 -7.858 220 HE21 GLN 24 1HE2 GLN 24 -0.242 5.047 -8.314 221 HE22 GLN 24 2HE2 GLN 24 -0.973 5.182 -9.878 222 H GLU 25 H GLU 25 5.741 3.789 -9.622 223 HA GLU 25 HA GLU 25 5.318 1.122 -10.370 224 HB2 GLU 25 1HB GLU 25 6.552 2.725 -11.759 225 HB3 GLU 25 2HB GLU 25 7.845 2.769 -10.569 226 HG2 GLU 25 1HG GLU 25 8.231 0.356 -10.971 227 HG3 GLU 25 2HG GLU 25 7.027 0.415 -12.258 228 H GLU 26 H GLU 26 7.825 2.498 -8.274 229 HA GLU 26 HA GLU 26 8.996 0.050 -7.527 230 HB2 GLU 26 1HB GLU 26 8.979 2.778 -6.249 231 HB3 GLU 26 2HB GLU 26 9.890 1.430 -5.584 232 HG2 GLU 26 1HG GLU 26 10.244 2.345 -8.417 233 HG3 GLU 26 2HG GLU 26 11.127 3.072 -7.077 234 H LEU 27 H LEU 27 6.309 1.893 -6.245 235 HA LEU 27 HA LEU 27 5.954 0.467 -3.832 236 HB2 LEU 27 1HB LEU 27 4.892 2.694 -4.692 237 HB3 LEU 27 2HB LEU 27 3.681 1.649 -5.401 238 HG LEU 27 HG LEU 27 3.005 2.631 -3.222 239 HD11 LEU 27 1HD1 LEU 27 1.970 0.557 -3.951 240 HD12 LEU 27 2HD1 LEU 27 2.175 0.573 -2.198 241 HD13 LEU 27 3HD1 LEU 27 3.273 -0.370 -3.208 242 HD21 LEU 27 3HD2 LEU 27 5.159 0.865 -2.073 243 HD22 LEU 27 1HD2 LEU 27 4.022 1.865 -1.169 244 HD23 LEU 27 2HD2 LEU 27 5.242 2.623 -2.192 245 H HIS 28 H HIS 28 4.659 0.021 -7.105 246 HA HIS 28 HA HIS 28 2.943 -2.127 -6.433 247 HB2 HIS 28 1HB HIS 28 2.995 -0.641 -8.571 248 HB3 HIS 28 2HB HIS 28 4.152 -1.830 -9.163 249 HD1 HIS 28 HD1 HIS 28 2.874 -4.446 -8.248 250 HD2 HIS 28 HD2 HIS 28 0.713 -1.271 -9.835 251 HE1 HIS 28 HE1 HIS 28 0.698 -5.417 -9.081 252 H GLN 29 H GLN 29 6.295 -1.963 -7.498 253 HA GLN 29 HA GLN 29 6.739 -4.742 -7.768 254 HB2 GLN 29 1HB GLN 29 8.280 -3.004 -8.625 255 HB3 GLN 29 2HB GLN 29 8.689 -2.566 -6.973 256 HG2 GLN 29 1HG GLN 29 10.428 -3.934 -7.902 257 HG3 GLN 29 2HG GLN 29 9.601 -4.823 -6.625 258 HE21 GLN 29 1HE2 GLN 29 8.374 -6.617 -7.154 259 HE22 GLN 29 2HE2 GLN 29 8.449 -7.369 -8.712 260 H TYR 30 H TYR 30 6.908 -2.521 -5.063 261 HA TYR 30 HA TYR 30 7.904 -4.354 -3.138 262 HB2 TYR 30 1HB TYR 30 8.017 -1.878 -2.935 263 HB3 TYR 30 2HB TYR 30 6.270 -1.831 -2.759 264 HD1 TYR 30 HD1 TYR 30 9.244 -3.448 -1.183 265 HD2 TYR 30 HD2 TYR 30 5.405 -1.713 -0.625 266 HE1 TYR 30 HE1 TYR 30 9.510 -3.662 1.247 267 HE2 TYR 30 HE2 TYR 30 5.661 -1.918 1.814 268 HH TYR 30 HH TYR 30 8.672 -2.734 3.279 269 H ALA 31 H ALA 31 4.758 -3.652 -4.440 270 HA ALA 31 HA ALA 31 3.154 -4.644 -2.349 271 HB1 ALA 31 3HB ALA 31 2.268 -3.228 -4.120 272 HB2 ALA 31 1HB ALA 31 1.372 -4.742 -4.019 273 HB3 ALA 31 2HB ALA 31 2.557 -4.504 -5.303 274 H GLN 32 H GLN 32 4.168 -6.207 -5.397 275 HA GLN 32 HA GLN 32 3.025 -8.713 -4.660 276 HB2 GLN 32 1HB GLN 32 4.971 -7.962 -6.834 277 HB3 GLN 32 2HB GLN 32 4.358 -9.596 -6.614 278 HG2 GLN 32 1HG GLN 32 2.065 -8.743 -6.907 279 HG3 GLN 32 2HG GLN 32 2.731 -7.139 -7.219 280 HE21 GLN 32 1HE2 GLN 32 1.832 -7.116 -9.286 281 HE22 GLN 32 2HE2 GLN 32 2.521 -8.026 -10.586 282 H ARG 33 H ARG 33 6.002 -7.173 -3.957 283 HA ARG 33 HA ARG 33 7.578 -9.457 -3.404 284 HB2 ARG 33 1HB ARG 33 8.511 -7.186 -3.651 285 HB3 ARG 33 2HB ARG 33 7.701 -6.698 -2.170 286 HG2 ARG 33 1HG ARG 33 9.047 -8.366 -0.932 287 HG3 ARG 33 2HG ARG 33 9.904 -8.736 -2.430 288 HD2 ARG 33 1HD ARG 33 9.842 -6.105 -0.961 289 HD3 ARG 33 2HD ARG 33 11.223 -7.187 -1.153 290 HE ARG 33 HE ARG 33 10.665 -6.660 -3.695 291 HH11 ARG 33 1HH1 ARG 33 10.980 -4.510 -0.940 292 HH12 ARG 33 2HH1 ARG 33 11.361 -3.125 -1.921 293 HH21 ARG 33 1HH2 ARG 33 11.194 -4.859 -4.960 294 HH22 ARG 33 2HH2 ARG 33 11.492 -3.326 -4.203 295 H LEU 34 H LEU 34 5.138 -7.716 -1.615 296 HA LEU 34 HA LEU 34 5.701 -9.307 0.778 297 HB2 LEU 34 1HB LEU 34 3.882 -6.926 0.429 298 HB3 LEU 34 2HB LEU 34 4.221 -7.742 1.945 299 HG LEU 34 HG LEU 34 6.147 -6.127 0.279 300 HD11 LEU 34 1HD1 LEU 34 6.239 -4.698 2.238 301 HD12 LEU 34 2HD1 LEU 34 5.090 -5.743 3.069 302 HD13 LEU 34 3HD1 LEU 34 4.586 -4.839 1.642 303 HD21 LEU 34 3HD2 LEU 34 7.292 -8.083 1.194 304 HD22 LEU 34 1HD2 LEU 34 6.692 -7.684 2.804 305 HD23 LEU 34 2HD2 LEU 34 7.819 -6.599 1.988 306 H GLY 35 H GLY 35 3.322 -8.878 -1.733 307 HA2 GLY 35 1HA GLY 35 2.027 -10.956 -2.136 308 HA3 GLY 35 2HA GLY 35 1.727 -10.989 -0.412 309 H LEU 36 H LEU 36 1.532 -8.218 -2.647 310 HA LEU 36 HA LEU 36 -1.178 -7.810 -1.601 311 HB2 LEU 36 1HB LEU 36 0.567 -5.819 -3.038 312 HB3 LEU 36 2HB LEU 36 -0.960 -5.497 -2.235 313 HG LEU 36 HG LEU 36 1.669 -6.213 -0.943 314 HD11 LEU 36 1HD1 LEU 36 -0.150 -3.822 -0.696 315 HD12 LEU 36 2HD1 LEU 36 1.390 -3.875 -1.550 316 HD13 LEU 36 3HD1 LEU 36 1.348 -4.079 0.201 317 HD21 LEU 36 3HD2 LEU 36 -1.078 -6.068 0.283 318 HD22 LEU 36 1HD2 LEU 36 0.430 -6.098 1.198 319 HD23 LEU 36 2HD2 LEU 36 -0.024 -7.476 0.195 320 H ASN 37 H ASN 37 -2.898 -7.865 -2.812 321 HA ASN 37 HA ASN 37 -2.703 -8.129 -5.697 322 HB2 ASN 37 1HB ASN 37 -5.248 -8.287 -5.498 323 HB3 ASN 37 2HB ASN 37 -4.318 -9.586 -4.766 324 HD21 ASN 37 1HD2 ASN 37 -4.506 -6.460 -3.223 325 HD22 ASN 37 2HD2 ASN 37 -5.552 -6.949 -1.932 326 H GLU 38 H GLU 38 -4.323 -6.762 -6.996 327 HA GLU 38 HA GLU 38 -3.508 -4.065 -6.739 328 HB2 GLU 38 1HB GLU 38 -5.734 -5.223 -8.427 329 HB3 GLU 38 2HB GLU 38 -5.024 -3.625 -8.625 330 HG2 GLU 38 1HG GLU 38 -2.847 -4.697 -9.104 331 HG3 GLU 38 2HG GLU 38 -3.633 -6.271 -9.006 332 H GLU 39 H GLU 39 -6.265 -5.810 -5.597 333 HA GLU 39 HA GLU 39 -8.146 -3.902 -5.017 334 HB2 GLU 39 1HB GLU 39 -8.573 -6.187 -4.492 335 HB3 GLU 39 2HB GLU 39 -7.166 -6.282 -3.444 336 HG2 GLU 39 1HG GLU 39 -9.137 -6.266 -2.094 337 HG3 GLU 39 2HG GLU 39 -8.292 -4.735 -1.869 338 H ALA 40 H ALA 40 -5.421 -4.855 -2.993 339 HA ALA 40 HA ALA 40 -5.977 -2.899 -0.988 340 HB1 ALA 40 3HB ALA 40 -4.924 -5.088 -0.524 341 HB2 ALA 40 1HB ALA 40 -4.009 -3.723 0.111 342 HB3 ALA 40 2HB ALA 40 -3.475 -4.532 -1.362 343 H ILE 41 H ILE 41 -4.004 -3.016 -3.836 344 HA ILE 41 HA ILE 41 -2.268 -0.870 -3.172 345 HB ILE 41 HB ILE 41 -3.068 -1.841 -5.923 346 HG12 ILE 41 1HG1 ILE 41 -0.801 -2.692 -4.103 347 HG13 ILE 41 2HG1 ILE 41 -2.207 -3.663 -4.529 348 HG21 ILE 41 1HG2 ILE 41 -1.993 0.340 -5.973 349 HG22 ILE 41 2HG2 ILE 41 -0.904 -0.889 -6.615 350 HG23 ILE 41 3HG2 ILE 41 -0.667 -0.268 -4.981 351 HD11 ILE 41 3HD1 ILE 41 -0.258 -4.362 -5.772 352 HD12 ILE 41 1HD1 ILE 41 -0.058 -2.731 -6.415 353 HD13 ILE 41 2HD1 ILE 41 -1.475 -3.685 -6.857 354 H ARG 42 H ARG 42 -5.308 -1.099 -4.986 355 HA ARG 42 HA ARG 42 -5.537 1.703 -5.467 356 HB2 ARG 42 1HB ARG 42 -7.641 -0.467 -5.388 357 HB3 ARG 42 2HB ARG 42 -7.936 1.187 -5.904 358 HG2 ARG 42 1HG ARG 42 -6.480 0.944 -7.760 359 HG3 ARG 42 2HG ARG 42 -5.963 -0.656 -7.217 360 HD2 ARG 42 1HD ARG 42 -8.329 -1.403 -7.431 361 HD3 ARG 42 2HD ARG 42 -8.707 0.164 -8.151 362 HE ARG 42 HE ARG 42 -7.036 -0.454 -9.904 363 HH11 ARG 42 1HH1 ARG 42 -8.757 -2.878 -8.050 364 HH12 ARG 42 2HH1 ARG 42 -8.605 -4.113 -9.272 365 HH21 ARG 42 1HH2 ARG 42 -6.833 -2.069 -11.525 366 HH22 ARG 42 2HH2 ARG 42 -7.508 -3.652 -11.246 367 H GLN 43 H GLN 43 -6.504 -0.472 -2.922 368 HA GLN 43 HA GLN 43 -8.312 1.113 -1.528 369 HB2 GLN 43 1HB GLN 43 -7.938 -1.275 -1.105 370 HB3 GLN 43 2HB GLN 43 -6.347 -0.913 -0.455 371 HG2 GLN 43 1HG GLN 43 -7.394 0.373 1.348 372 HG3 GLN 43 2HG GLN 43 -8.983 -0.046 0.705 373 HE21 GLN 43 1HE2 GLN 43 -9.693 -2.183 0.829 374 HE22 GLN 43 2HE2 GLN 43 -8.977 -3.316 1.931 375 H PHE 44 H PHE 44 -4.787 1.147 -1.491 376 HA PHE 44 HA PHE 44 -4.803 2.902 0.827 377 HB2 PHE 44 1HB PHE 44 -3.115 0.916 0.172 378 HB3 PHE 44 2HB PHE 44 -2.244 2.288 -0.517 379 HD1 PHE 44 HD1 PHE 44 -3.956 1.200 2.583 380 HD2 PHE 44 HD2 PHE 44 -0.874 3.566 0.858 381 HE1 PHE 44 HE1 PHE 44 -3.163 1.776 4.831 382 HE2 PHE 44 HE2 PHE 44 -0.065 4.154 3.104 383 HZ PHE 44 HZ PHE 44 -1.222 3.264 5.101 384 H PHE 45 H PHE 45 -4.282 3.105 -2.620 385 HA PHE 45 HA PHE 45 -3.370 5.861 -2.350 386 HB2 PHE 45 1HB PHE 45 -3.556 3.962 -4.668 387 HB3 PHE 45 2HB PHE 45 -3.351 5.690 -4.939 388 HD1 PHE 45 HD1 PHE 45 -1.853 2.869 -3.020 389 HD2 PHE 45 HD2 PHE 45 -1.229 6.578 -5.008 390 HE1 PHE 45 HE1 PHE 45 0.567 2.646 -2.676 391 HE2 PHE 45 HE2 PHE 45 1.197 6.357 -4.667 392 HZ PHE 45 HZ PHE 45 2.101 4.386 -3.500 393 H GLU 46 H GLU 46 -5.877 4.222 -4.270 394 HA GLU 46 HA GLU 46 -7.166 6.745 -4.793 395 HB2 GLU 46 1HB GLU 46 -7.893 3.926 -5.613 396 HB3 GLU 46 2HB GLU 46 -8.681 5.385 -6.207 397 HG2 GLU 46 1HG GLU 46 -6.599 6.125 -7.208 398 HG3 GLU 46 2HG GLU 46 -5.769 4.708 -6.569 399 H GLU 47 H GLU 47 -8.021 3.731 -3.105 400 HA GLU 47 HA GLU 47 -10.593 4.821 -2.306 401 HB2 GLU 47 1HB GLU 47 -10.101 2.382 -2.966 402 HB3 GLU 47 2HB GLU 47 -9.388 2.223 -1.366 403 HG2 GLU 47 1HG GLU 47 -11.552 2.941 -0.392 404 HG3 GLU 47 2HG GLU 47 -12.240 2.933 -2.014 405 H PHE 48 H PHE 48 -7.710 5.549 -1.320 406 HA PHE 48 HA PHE 48 -7.456 4.932 1.375 407 HB2 PHE 48 1HB PHE 48 -5.681 5.833 -0.080 408 HB3 PHE 48 2HB PHE 48 -6.491 7.390 -0.093 409 HD1 PHE 48 HD1 PHE 48 -4.872 4.908 2.144 410 HD2 PHE 48 HD2 PHE 48 -6.016 8.971 1.577 411 HE1 PHE 48 HE1 PHE 48 -3.580 5.543 4.135 412 HE2 PHE 48 HE2 PHE 48 -4.731 9.610 3.574 413 HZ PHE 48 HZ PHE 48 -3.508 7.898 4.857 414 H GLU 49 H GLU 49 -8.240 8.234 0.250 415 HA GLU 49 HA GLU 49 -10.306 8.356 2.330 416 HB2 GLU 49 1HB GLU 49 -9.550 10.591 2.973 417 HB3 GLU 49 2HB GLU 49 -8.289 9.391 3.221 418 HG2 GLU 49 1HG GLU 49 -7.185 10.091 1.174 419 HG3 GLU 49 2HG GLU 49 -8.462 11.267 0.869 420 H GLN 50 H GLN 50 -9.430 8.928 -0.870 421 HA GLN 50 HA GLN 50 -11.046 11.256 -1.321 422 HB2 GLN 50 1HB GLN 50 -9.673 9.381 -3.250 423 HB3 GLN 50 2HB GLN 50 -10.437 10.903 -3.694 424 HG2 GLN 50 1HG GLN 50 -8.853 12.145 -2.406 425 HG3 GLN 50 2HG GLN 50 -8.162 10.668 -1.741 426 HE21 GLN 50 1HE2 GLN 50 -9.111 11.003 -5.093 427 HE22 GLN 50 2HE2 GLN 50 -7.504 10.978 -5.740 428 H ARG 51 H ARG 51 -11.483 7.844 -1.409 429 HA ARG 51 HA ARG 51 -13.930 8.070 -2.979 430 HB2 ARG 51 1HB ARG 51 -12.324 5.715 -2.016 431 HB3 ARG 51 2HB ARG 51 -13.908 5.536 -2.759 432 HG2 ARG 51 1HG ARG 51 -13.122 6.468 -4.807 433 HG3 ARG 51 2HG ARG 51 -11.584 6.915 -4.065 434 HD2 ARG 51 1HD ARG 51 -10.960 4.637 -3.796 435 HD3 ARG 51 2HD ARG 51 -12.564 4.083 -4.289 436 HE ARG 51 HE ARG 51 -11.194 5.656 -6.280 437 HH11 ARG 51 1HH1 ARG 51 -11.775 2.435 -5.021 438 HH12 ARG 51 2HH1 ARG 51 -11.286 1.643 -6.487 439 HH21 ARG 51 1HH2 ARG 51 -10.530 4.607 -8.196 440 HH22 ARG 51 2HH2 ARG 51 -10.580 2.869 -8.278 441 H LYS 52 H LYS 52 -15.424 8.960 -1.674 442 HA LYS 52 HA LYS 52 -16.813 7.285 0.094 443 HB2 LYS 52 1HB LYS 52 -16.587 8.657 2.170 444 HB3 LYS 52 2HB LYS 52 -15.125 7.782 1.739 445 HG2 LYS 52 1HG LYS 52 -14.162 9.826 0.826 446 HG3 LYS 52 2HG LYS 52 -15.638 10.707 1.235 447 HD2 LYS 52 1HD LYS 52 -13.909 11.069 2.921 448 HD3 LYS 52 2HD LYS 52 -15.285 10.203 3.603 449 HE2 LYS 52 1HE LYS 52 -14.053 8.078 3.301 450 HE3 LYS 52 2HE LYS 52 -12.664 8.995 2.718 451 HZ1 LYS 52 3HZ LYS 52 -12.490 8.401 5.078 452 HZ2 LYS 52 1HZ LYS 52 -13.892 9.301 5.407 453 HZ3 LYS 52 2HZ LYS 52 -12.494 10.082 4.844 Start of MODEL 6 1 H1 MET 1 1H MET 1 -13.480 -12.810 4.330 2 H2 MET 1 2H MET 1 -12.674 -11.567 3.504 3 H3 MET 1 3H MET 1 -12.527 -11.700 5.188 4 HA MET 1 HA MET 1 -11.284 -13.677 5.043 5 HB2 MET 1 1HB MET 1 -12.635 -14.561 3.109 6 HB3 MET 1 2HB MET 1 -11.675 -13.543 2.044 7 HG2 MET 1 1HG MET 1 -10.868 -15.827 2.020 8 HG3 MET 1 2HG MET 1 -9.657 -14.740 2.699 9 HE1 MET 1 3HE MET 1 -8.340 -16.836 3.614 10 HE2 MET 1 1HE MET 1 -9.565 -17.947 3.003 11 HE3 MET 1 2HE MET 1 -9.036 -18.055 4.682 12 H LYS 2 H LYS 2 -10.817 -10.884 5.169 13 HA LYS 2 HA LYS 2 -9.022 -9.463 5.205 14 HB2 LYS 2 1HB LYS 2 -7.646 -11.935 4.194 15 HB3 LYS 2 2HB LYS 2 -6.794 -10.401 4.256 16 HG2 LYS 2 1HG LYS 2 -6.322 -11.751 6.218 17 HG3 LYS 2 2HG LYS 2 -7.168 -10.270 6.660 18 HD2 LYS 2 1HD LYS 2 -9.245 -11.483 6.912 19 HD3 LYS 2 2HD LYS 2 -8.489 -12.965 6.323 20 HE2 LYS 2 1HE LYS 2 -7.107 -13.124 8.242 21 HE3 LYS 2 2HE LYS 2 -7.541 -11.499 8.774 22 HZ1 LYS 2 3HZ LYS 2 -8.700 -13.189 10.051 23 HZ2 LYS 2 1HZ LYS 2 -9.385 -13.827 8.633 24 HZ3 LYS 2 2HZ LYS 2 -9.799 -12.266 9.149 25 H GLN 3 H GLN 3 -7.372 -8.397 3.696 26 HA GLN 3 HA GLN 3 -8.473 -8.293 0.956 27 HB2 GLN 3 1HB GLN 3 -7.404 -6.038 2.664 28 HB3 GLN 3 2HB GLN 3 -7.768 -5.887 0.952 29 HG2 GLN 3 1HG GLN 3 -10.093 -6.310 1.352 30 HG3 GLN 3 2HG GLN 3 -9.776 -6.650 3.054 31 HE21 GLN 3 1HE2 GLN 3 -7.834 -4.493 3.297 32 HE22 GLN 3 2HE2 GLN 3 -8.745 -3.022 3.331 33 H TRP 4 H TRP 4 -5.652 -7.215 2.794 34 HA TRP 4 HA TRP 4 -3.926 -8.551 0.843 35 HB2 TRP 4 1HB TRP 4 -2.275 -6.667 1.151 36 HB3 TRP 4 2HB TRP 4 -3.722 -6.243 0.255 37 HD1 TRP 4 HD1 TRP 4 -5.029 -6.063 3.556 38 HE1 TRP 4 HE1 TRP 4 -4.852 -3.727 4.589 39 HE3 TRP 4 HE3 TRP 4 -1.559 -4.053 0.384 40 HZ2 TRP 4 HZ2 TRP 4 -3.422 -1.342 4.127 41 HZ3 TRP 4 HZ3 TRP 4 -0.845 -1.733 0.754 42 HH2 TRP 4 HH2 TRP 4 -1.759 -0.407 2.583 43 H SER 5 H SER 5 -1.725 -8.993 1.752 44 HA SER 5 HA SER 5 -1.761 -10.379 4.122 45 HB2 SER 5 1HB SER 5 0.660 -8.942 3.027 46 HB3 SER 5 2HB SER 5 0.638 -10.409 4.006 47 HG SER 5 HG SER 5 0.877 -10.614 1.608 48 H GLU 6 H GLU 6 -2.037 -9.719 6.186 49 HA GLU 6 HA GLU 6 -2.425 -6.975 6.719 50 HB2 GLU 6 1HB GLU 6 -3.436 -9.091 7.852 51 HB3 GLU 6 2HB GLU 6 -2.038 -8.975 8.913 52 HG2 GLU 6 1HG GLU 6 -2.684 -6.801 9.648 53 HG3 GLU 6 2HG GLU 6 -3.967 -6.717 8.440 54 H ASN 7 H ASN 7 0.372 -9.035 7.130 55 HA ASN 7 HA ASN 7 1.967 -7.391 8.738 56 HB2 ASN 7 1HB ASN 7 2.778 -9.033 6.334 57 HB3 ASN 7 2HB ASN 7 3.912 -8.315 7.468 58 HD21 ASN 7 1HD2 ASN 7 3.586 -11.068 6.763 59 HD22 ASN 7 2HD2 ASN 7 3.193 -11.916 8.229 60 H VAL 8 H VAL 8 1.014 -7.172 5.425 61 HA VAL 8 HA VAL 8 2.948 -5.174 4.700 62 HB VAL 8 HB VAL 8 0.520 -6.139 3.195 63 HG11 VAL 8 1HG1 VAL 8 1.396 -4.045 2.364 64 HG12 VAL 8 2HG1 VAL 8 1.729 -5.351 1.227 65 HG13 VAL 8 3HG1 VAL 8 3.015 -4.741 2.268 66 HG21 VAL 8 3HG2 VAL 8 3.360 -7.138 3.117 67 HG22 VAL 8 1HG2 VAL 8 2.060 -7.650 2.040 68 HG23 VAL 8 2HG2 VAL 8 1.967 -8.003 3.766 69 H GLU 9 H GLU 9 -0.478 -5.315 5.517 70 HA GLU 9 HA GLU 9 -1.297 -2.739 4.949 71 HB2 GLU 9 1HB GLU 9 -2.719 -4.597 5.852 72 HB3 GLU 9 2HB GLU 9 -1.983 -4.349 7.431 73 HG2 GLU 9 1HG GLU 9 -3.515 -2.206 5.980 74 HG3 GLU 9 2HG GLU 9 -4.276 -3.360 7.068 75 H GLU 10 H GLU 10 0.239 -3.949 7.897 76 HA GLU 10 HA GLU 10 0.696 -1.501 9.162 77 HB2 GLU 10 1HB GLU 10 0.957 -3.429 10.472 78 HB3 GLU 10 2HB GLU 10 2.000 -4.206 9.292 79 HG2 GLU 10 1HG GLU 10 3.798 -2.683 9.834 80 HG3 GLU 10 2HG GLU 10 2.757 -1.831 10.978 81 H LYS 11 H LYS 11 3.006 -3.455 7.266 82 HA LYS 11 HA LYS 11 5.112 -1.629 7.683 83 HB2 LYS 11 1HB LYS 11 5.261 -4.100 7.233 84 HB3 LYS 11 2HB LYS 11 4.972 -3.733 5.536 85 HG2 LYS 11 1HG LYS 11 7.002 -2.378 5.470 86 HG3 LYS 11 2HG LYS 11 7.284 -2.704 7.180 87 HD2 LYS 11 1HD LYS 11 7.400 -5.139 6.623 88 HD3 LYS 11 2HD LYS 11 7.300 -4.702 4.917 89 HE2 LYS 11 1HE LYS 11 9.604 -5.063 5.536 90 HE3 LYS 11 2HE LYS 11 9.346 -3.357 5.168 91 HZ1 LYS 11 3HZ LYS 11 10.702 -3.768 7.184 92 HZ2 LYS 11 1HZ LYS 11 9.350 -4.477 7.919 93 HZ3 LYS 11 2HZ LYS 11 9.322 -2.835 7.485 94 H LEU 12 H LEU 12 3.026 -2.160 4.827 95 HA LEU 12 HA LEU 12 4.541 -0.410 3.162 96 HB2 LEU 12 1HB LEU 12 3.140 -2.151 2.230 97 HB3 LEU 12 2HB LEU 12 1.701 -1.391 2.872 98 HG LEU 12 HG LEU 12 2.269 0.600 1.402 99 HD11 LEU 12 1HD1 LEU 12 4.120 -1.409 0.122 100 HD12 LEU 12 2HD1 LEU 12 4.620 0.024 1.018 101 HD13 LEU 12 3HD1 LEU 12 3.732 0.197 -0.496 102 HD21 LEU 12 3HD2 LEU 12 1.355 -0.445 -0.617 103 HD22 LEU 12 1HD2 LEU 12 0.490 -0.952 0.834 104 HD23 LEU 12 2HD2 LEU 12 1.657 -2.038 0.078 105 H LYS 13 H LYS 13 1.583 -0.024 5.055 106 HA LYS 13 HA LYS 13 0.940 2.577 4.279 107 HB2 LYS 13 1HB LYS 13 -0.604 1.257 5.545 108 HB3 LYS 13 2HB LYS 13 0.533 1.099 6.872 109 HG2 LYS 13 1HG LYS 13 0.335 3.579 7.206 110 HG3 LYS 13 2HG LYS 13 -0.985 3.550 6.032 111 HD2 LYS 13 1HD LYS 13 -1.810 3.410 8.349 112 HD3 LYS 13 2HD LYS 13 -2.214 1.970 7.409 113 HE2 LYS 13 1HE LYS 13 -0.050 0.977 8.371 114 HE3 LYS 13 2HE LYS 13 -0.120 2.298 9.541 115 HZ1 LYS 13 3HZ LYS 13 -2.339 1.522 10.185 116 HZ2 LYS 13 1HZ LYS 13 -1.163 0.326 10.422 117 HZ3 LYS 13 2HZ LYS 13 -2.207 0.222 9.095 118 H GLU 14 H GLU 14 3.068 1.383 6.812 119 HA GLU 14 HA GLU 14 3.746 3.990 7.769 120 HB2 GLU 14 1HB GLU 14 4.993 1.283 8.266 121 HB3 GLU 14 2HB GLU 14 5.437 2.760 9.118 122 HG2 GLU 14 1HG GLU 14 3.196 2.960 10.009 123 HG3 GLU 14 2HG GLU 14 2.680 1.550 9.089 124 H PHE 15 H PHE 15 4.709 2.193 5.086 125 HA PHE 15 HA PHE 15 7.314 3.488 4.901 126 HB2 PHE 15 1HB PHE 15 7.103 1.105 4.317 127 HB3 PHE 15 2HB PHE 15 5.952 1.517 3.055 128 HD1 PHE 15 HD1 PHE 15 9.218 3.035 4.008 129 HD2 PHE 15 HD2 PHE 15 6.941 1.021 1.037 130 HE1 PHE 15 HE1 PHE 15 11.083 3.268 2.423 131 HE2 PHE 15 HE2 PHE 15 8.797 1.251 -0.550 132 HZ PHE 15 HZ PHE 15 10.873 2.380 0.139 133 H VAL 16 H VAL 16 4.141 3.509 3.342 134 HA VAL 16 HA VAL 16 4.942 5.363 1.302 135 HB VAL 16 HB VAL 16 2.151 4.619 2.189 136 HG11 VAL 16 1HG1 VAL 16 2.189 6.694 0.929 137 HG12 VAL 16 2HG1 VAL 16 1.468 5.403 -0.030 138 HG13 VAL 16 3HG1 VAL 16 3.123 5.921 -0.349 139 HG21 VAL 16 3HG2 VAL 16 3.873 3.469 -0.000 140 HG22 VAL 16 1HG2 VAL 16 2.171 3.087 0.265 141 HG23 VAL 16 2HG2 VAL 16 3.371 2.657 1.483 142 H LYS 17 H LYS 17 3.392 5.635 4.457 143 HA LYS 17 HA LYS 17 3.064 8.512 4.000 144 HB2 LYS 17 1HB LYS 17 1.771 6.570 5.865 145 HB3 LYS 17 2HB LYS 17 1.792 8.278 6.272 146 HG2 LYS 17 1HG LYS 17 0.642 7.101 3.754 147 HG3 LYS 17 2HG LYS 17 -0.280 7.600 5.171 148 HD2 LYS 17 1HD LYS 17 1.308 9.340 3.291 149 HD3 LYS 17 2HD LYS 17 -0.429 9.364 3.576 150 HE2 LYS 17 1HE LYS 17 1.752 10.234 5.465 151 HE3 LYS 17 2HE LYS 17 0.537 11.246 4.691 152 HZ1 LYS 17 3HZ LYS 17 -1.065 9.609 5.970 153 HZ2 LYS 17 1HZ LYS 17 -0.406 10.983 6.722 154 HZ3 LYS 17 2HZ LYS 17 0.284 9.461 6.990 155 H ARG 18 H ARG 18 4.665 6.240 6.150 156 HA ARG 18 HA ARG 18 5.507 8.475 7.836 157 HB2 ARG 18 1HB ARG 18 5.709 5.507 8.379 158 HB3 ARG 18 2HB ARG 18 6.041 6.802 9.525 159 HG2 ARG 18 1HG ARG 18 3.748 7.482 9.526 160 HG3 ARG 18 2HG ARG 18 3.368 6.374 8.210 161 HD2 ARG 18 1HD ARG 18 2.585 5.319 10.161 162 HD3 ARG 18 2HD ARG 18 4.099 4.512 9.767 163 HE ARG 18 HE ARG 18 4.819 6.493 11.512 164 HH11 ARG 18 1HH1 ARG 18 2.505 3.859 11.583 165 HH12 ARG 18 2HH1 ARG 18 2.625 3.627 13.301 166 HH21 ARG 18 1HH2 ARG 18 4.987 6.183 13.781 167 HH22 ARG 18 2HH2 ARG 18 4.054 4.929 14.539 168 H HIS 19 H HIS 19 6.608 6.651 5.304 169 HA HIS 19 HA HIS 19 9.356 7.546 5.849 170 HB2 HIS 19 1HB HIS 19 8.363 5.179 4.274 171 HB3 HIS 19 2HB HIS 19 9.962 5.858 3.994 172 HD1 HIS 19 HD1 HIS 19 7.956 4.150 6.738 173 HD2 HIS 19 HD2 HIS 19 11.882 5.074 5.733 174 HE1 HIS 19 HE1 HIS 19 9.421 2.938 8.404 175 H GLN 20 H GLN 20 7.767 9.422 5.130 176 HA GLN 20 HA GLN 20 7.421 11.113 3.729 177 HB2 GLN 20 1HB GLN 20 9.618 9.756 2.217 178 HB3 GLN 20 2HB GLN 20 8.836 11.198 1.582 179 HG2 GLN 20 1HG GLN 20 10.666 12.063 2.674 180 HG3 GLN 20 2HG GLN 20 9.413 12.205 3.904 181 HE21 GLN 20 1HE2 GLN 20 10.842 12.175 5.620 182 HE22 GLN 20 2HE2 GLN 20 11.723 10.749 6.074 183 H ARG 21 H ARG 21 7.829 8.414 1.457 184 HA ARG 21 HA ARG 21 5.309 7.910 0.636 185 HB2 ARG 21 1HB ARG 21 6.119 10.572 -0.319 186 HB3 ARG 21 2HB ARG 21 5.604 9.496 -1.611 187 HG2 ARG 21 1HG ARG 21 3.479 9.126 -0.485 188 HG3 ARG 21 2HG ARG 21 3.996 10.155 0.851 189 HD2 ARG 21 1HD ARG 21 2.559 11.425 -0.593 190 HD3 ARG 21 2HD ARG 21 4.202 12.041 -0.744 191 HE ARG 21 HE ARG 21 4.306 10.647 -2.843 192 HH11 ARG 21 1HH1 ARG 21 1.266 11.897 -1.608 193 HH12 ARG 21 2HH1 ARG 21 0.509 11.952 -3.179 194 HH21 ARG 21 1HH2 ARG 21 3.316 10.704 -4.885 195 HH22 ARG 21 2HH2 ARG 21 1.669 11.242 -5.045 196 H ILE 22 H ILE 22 5.246 7.261 -1.824 197 HA ILE 22 HA ILE 22 7.776 6.786 -3.074 198 HB ILE 22 HB ILE 22 7.826 4.967 -1.430 199 HG12 ILE 22 1HG1 ILE 22 7.247 3.909 -4.209 200 HG13 ILE 22 2HG1 ILE 22 8.774 4.631 -3.709 201 HG21 ILE 22 1HG2 ILE 22 5.456 4.687 -1.033 202 HG22 ILE 22 2HG2 ILE 22 6.161 3.147 -1.530 203 HG23 ILE 22 3HG2 ILE 22 5.221 4.101 -2.679 204 HD11 ILE 22 3HD1 ILE 22 9.144 2.847 -2.139 205 HD12 ILE 22 1HD1 ILE 22 8.831 2.182 -3.742 206 HD13 ILE 22 2HD1 ILE 22 7.565 2.154 -2.514 207 H THR 23 H THR 23 7.549 6.141 -5.241 208 HA THR 23 HA THR 23 5.030 6.772 -6.435 209 HB THR 23 HB THR 23 6.319 6.049 -8.559 210 HG1 THR 23 HG1 THR 23 8.615 6.041 -8.208 211 HG21 THR 23 3HG2 THR 23 7.360 8.321 -6.859 212 HG22 THR 23 1HG2 THR 23 5.942 8.384 -7.906 213 HG23 THR 23 2HG2 THR 23 7.545 8.166 -8.605 214 H GLN 24 H GLN 24 3.953 5.386 -8.004 215 HA GLN 24 HA GLN 24 3.142 2.972 -6.825 216 HB2 GLN 24 1HB GLN 24 1.721 4.315 -8.310 217 HB3 GLN 24 2HB GLN 24 2.756 3.912 -9.672 218 HG2 GLN 24 1HG GLN 24 2.184 1.515 -9.302 219 HG3 GLN 24 2HG GLN 24 1.021 2.036 -8.085 220 HE21 GLN 24 1HE2 GLN 24 -0.839 3.147 -8.749 221 HE22 GLN 24 2HE2 GLN 24 -1.374 3.120 -10.396 222 H GLU 25 H GLU 25 5.462 3.621 -9.395 223 HA GLU 25 HA GLU 25 5.776 1.131 -10.521 224 HB2 GLU 25 1HB GLU 25 6.896 3.108 -11.372 225 HB3 GLU 25 2HB GLU 25 7.891 3.204 -9.928 226 HG2 GLU 25 1HG GLU 25 9.083 2.307 -11.881 227 HG3 GLU 25 2HG GLU 25 9.046 1.192 -10.518 228 H GLU 26 H GLU 26 7.819 2.378 -7.858 229 HA GLU 26 HA GLU 26 8.872 -0.258 -7.404 230 HB2 GLU 26 1HB GLU 26 10.230 1.810 -7.148 231 HB3 GLU 26 2HB GLU 26 9.258 2.241 -5.749 232 HG2 GLU 26 1HG GLU 26 10.153 0.570 -4.441 233 HG3 GLU 26 2HG GLU 26 10.640 -0.399 -5.833 234 H LEU 27 H LEU 27 6.243 1.611 -6.198 235 HA LEU 27 HA LEU 27 5.887 0.276 -3.729 236 HB2 LEU 27 1HB LEU 27 4.760 2.405 -4.366 237 HB3 LEU 27 2HB LEU 27 3.777 1.513 -5.506 238 HG LEU 27 HG LEU 27 3.706 0.732 -2.613 239 HD11 LEU 27 1HD1 LEU 27 2.170 3.023 -3.832 240 HD12 LEU 27 2HD1 LEU 27 3.442 3.163 -2.618 241 HD13 LEU 27 3HD1 LEU 27 1.928 2.351 -2.219 242 HD21 LEU 27 3HD2 LEU 27 2.531 -0.648 -4.267 243 HD22 LEU 27 1HD2 LEU 27 1.637 0.769 -4.816 244 HD23 LEU 27 2HD2 LEU 27 1.394 0.152 -3.183 245 H HIS 28 H HIS 28 4.768 -0.381 -7.023 246 HA HIS 28 HA HIS 28 3.198 -2.645 -6.325 247 HB2 HIS 28 1HB HIS 28 3.148 -1.276 -8.519 248 HB3 HIS 28 2HB HIS 28 4.501 -2.289 -9.019 249 HD1 HIS 28 HD1 HIS 28 3.555 -5.038 -8.035 250 HD2 HIS 28 HD2 HIS 28 1.079 -2.282 -9.915 251 HE1 HIS 28 HE1 HIS 28 1.600 -6.350 -8.938 252 H GLN 29 H GLN 29 6.562 -2.187 -7.231 253 HA GLN 29 HA GLN 29 7.411 -4.845 -7.360 254 HB2 GLN 29 1HB GLN 29 8.876 -2.959 -7.908 255 HB3 GLN 29 2HB GLN 29 8.848 -2.426 -6.234 256 HG2 GLN 29 1HG GLN 29 9.840 -4.740 -5.706 257 HG3 GLN 29 2HG GLN 29 10.203 -4.809 -7.430 258 HE21 GLN 29 1HE2 GLN 29 10.912 -3.286 -4.411 259 HE22 GLN 29 2HE2 GLN 29 12.346 -2.456 -4.911 260 H TYR 30 H TYR 30 7.154 -2.647 -4.617 261 HA TYR 30 HA TYR 30 7.988 -4.447 -2.614 262 HB2 TYR 30 1HB TYR 30 7.654 -1.824 -2.666 263 HB3 TYR 30 2HB TYR 30 6.060 -2.229 -2.049 264 HD1 TYR 30 HD1 TYR 30 9.512 -3.490 -1.345 265 HD2 TYR 30 HD2 TYR 30 5.926 -1.817 0.216 266 HE1 TYR 30 HE1 TYR 30 10.465 -3.579 0.919 267 HE2 TYR 30 HE2 TYR 30 6.865 -1.911 2.486 268 HH TYR 30 HH TYR 30 10.165 -2.478 3.088 269 H ALA 31 H ALA 31 4.898 -3.805 -4.131 270 HA ALA 31 HA ALA 31 3.234 -5.111 -2.259 271 HB1 ALA 31 3HB ALA 31 2.798 -4.707 -5.220 272 HB2 ALA 31 1HB ALA 31 2.371 -3.560 -3.950 273 HB3 ALA 31 2HB ALA 31 1.560 -5.124 -4.035 274 H GLN 32 H GLN 32 4.691 -6.237 -5.306 275 HA GLN 32 HA GLN 32 3.667 -8.874 -5.133 276 HB2 GLN 32 1HB GLN 32 4.452 -7.877 -7.236 277 HB3 GLN 32 2HB GLN 32 6.093 -7.834 -6.611 278 HG2 GLN 32 1HG GLN 32 6.148 -10.259 -6.530 279 HG3 GLN 32 2HG GLN 32 4.479 -10.329 -7.096 280 HE21 GLN 32 1HE2 GLN 32 4.018 -9.827 -9.238 281 HE22 GLN 32 2HE2 GLN 32 5.244 -9.746 -10.459 282 H ARG 33 H ARG 33 6.556 -7.324 -3.921 283 HA ARG 33 HA ARG 33 7.976 -9.621 -3.144 284 HB2 ARG 33 1HB ARG 33 9.062 -7.463 -3.225 285 HB3 ARG 33 2HB ARG 33 7.960 -6.812 -2.024 286 HG2 ARG 33 1HG ARG 33 10.091 -7.221 -1.003 287 HG3 ARG 33 2HG ARG 33 8.921 -8.370 -0.356 288 HD2 ARG 33 1HD ARG 33 11.142 -9.357 -0.887 289 HD3 ARG 33 2HD ARG 33 9.799 -10.130 -1.724 290 HE ARG 33 HE ARG 33 10.886 -8.087 -3.346 291 HH11 ARG 33 1HH1 ARG 33 11.675 -11.274 -2.123 292 HH12 ARG 33 2HH1 ARG 33 12.664 -11.689 -3.490 293 HH21 ARG 33 1HH2 ARG 33 12.192 -8.620 -5.128 294 HH22 ARG 33 2HH2 ARG 33 12.940 -10.186 -5.212 295 H LEU 34 H LEU 34 5.485 -7.728 -1.528 296 HA LEU 34 HA LEU 34 5.820 -9.276 0.915 297 HB2 LEU 34 1HB LEU 34 4.144 -6.854 0.301 298 HB3 LEU 34 2HB LEU 34 4.258 -7.618 1.874 299 HG LEU 34 HG LEU 34 6.535 -6.295 0.391 300 HD11 LEU 34 1HD1 LEU 34 5.023 -5.441 2.855 301 HD12 LEU 34 2HD1 LEU 34 4.910 -4.698 1.261 302 HD13 LEU 34 3HD1 LEU 34 6.424 -4.623 2.161 303 HD21 LEU 34 3HD2 LEU 34 6.447 -7.544 3.135 304 HD22 LEU 34 1HD2 LEU 34 7.801 -6.636 2.459 305 HD23 LEU 34 2HD2 LEU 34 7.314 -8.169 1.733 306 H GLY 35 H GLY 35 3.898 -9.413 -1.848 307 HA2 GLY 35 1HA GLY 35 2.524 -11.307 -2.221 308 HA3 GLY 35 2HA GLY 35 2.242 -11.417 -0.486 309 H LEU 36 H LEU 36 1.840 -8.614 -2.649 310 HA LEU 36 HA LEU 36 -0.859 -8.361 -1.554 311 HB2 LEU 36 1HB LEU 36 0.787 -6.366 -3.094 312 HB3 LEU 36 2HB LEU 36 -0.809 -6.076 -2.432 313 HG LEU 36 HG LEU 36 1.753 -6.509 -0.911 314 HD11 LEU 36 1HD1 LEU 36 1.187 -4.328 0.030 315 HD12 LEU 36 2HD1 LEU 36 -0.266 -4.267 -0.967 316 HD13 LEU 36 3HD1 LEU 36 1.325 -4.255 -1.726 317 HD21 LEU 36 3HD2 LEU 36 -1.090 -6.546 0.097 318 HD22 LEU 36 1HD2 LEU 36 0.329 -6.340 1.127 319 HD23 LEU 36 2HD2 LEU 36 0.109 -7.832 0.214 320 H ASN 37 H ASN 37 -2.618 -8.595 -2.668 321 HA ASN 37 HA ASN 37 -2.553 -9.035 -5.521 322 HB2 ASN 37 1HB ASN 37 -5.097 -9.098 -5.214 323 HB3 ASN 37 2HB ASN 37 -4.167 -10.376 -4.447 324 HD21 ASN 37 1HD2 ASN 37 -4.335 -7.115 -3.126 325 HD22 ASN 37 2HD2 ASN 37 -5.301 -7.545 -1.748 326 H GLU 38 H GLU 38 -3.904 -7.730 -6.987 327 HA GLU 38 HA GLU 38 -3.065 -5.020 -6.763 328 HB2 GLU 38 1HB GLU 38 -3.494 -6.526 -8.857 329 HB3 GLU 38 2HB GLU 38 -5.137 -5.909 -8.730 330 HG2 GLU 38 1HG GLU 38 -4.201 -3.604 -8.803 331 HG3 GLU 38 2HG GLU 38 -2.618 -4.317 -9.127 332 H GLU 39 H GLU 39 -5.794 -6.648 -5.643 333 HA GLU 39 HA GLU 39 -7.837 -4.794 -5.629 334 HB2 GLU 39 1HB GLU 39 -8.365 -6.912 -4.793 335 HB3 GLU 39 2HB GLU 39 -6.954 -6.958 -3.749 336 HG2 GLU 39 1HG GLU 39 -7.962 -5.542 -2.148 337 HG3 GLU 39 2HG GLU 39 -9.268 -5.102 -3.257 338 H ALA 40 H ALA 40 -5.352 -5.285 -3.162 339 HA ALA 40 HA ALA 40 -6.142 -2.978 -1.671 340 HB1 ALA 40 3HB ALA 40 -3.677 -4.691 -1.409 341 HB2 ALA 40 1HB ALA 40 -5.214 -4.968 -0.592 342 HB3 ALA 40 2HB ALA 40 -4.270 -3.525 -0.224 343 H ILE 41 H ILE 41 -3.778 -3.682 -4.129 344 HA ILE 41 HA ILE 41 -2.001 -1.570 -3.712 345 HB ILE 41 HB ILE 41 -2.789 -2.843 -6.338 346 HG12 ILE 41 1HG1 ILE 41 -0.537 -3.465 -4.409 347 HG13 ILE 41 2HG1 ILE 41 -1.954 -4.467 -4.705 348 HG21 ILE 41 1HG2 ILE 41 -1.683 -0.709 -6.698 349 HG22 ILE 41 2HG2 ILE 41 -0.616 -2.036 -7.157 350 HG23 ILE 41 3HG2 ILE 41 -0.364 -1.190 -5.631 351 HD11 ILE 41 3HD1 ILE 41 0.242 -3.837 -6.662 352 HD12 ILE 41 1HD1 ILE 41 -1.211 -4.765 -7.035 353 HD13 ILE 41 2HD1 ILE 41 -0.053 -5.377 -5.856 354 H ARG 42 H ARG 42 -4.872 -1.705 -5.840 355 HA ARG 42 HA ARG 42 -4.708 1.099 -6.441 356 HB2 ARG 42 1HB ARG 42 -5.714 -0.344 -8.086 357 HB3 ARG 42 2HB ARG 42 -6.892 -0.935 -6.921 358 HG2 ARG 42 1HG ARG 42 -7.781 1.392 -6.772 359 HG3 ARG 42 2HG ARG 42 -6.699 1.818 -8.097 360 HD2 ARG 42 1HD ARG 42 -7.843 0.478 -9.623 361 HD3 ARG 42 2HD ARG 42 -8.635 -0.452 -8.349 362 HE ARG 42 HE ARG 42 -9.403 2.265 -8.176 363 HH11 ARG 42 1HH1 ARG 42 -9.864 -0.512 -10.269 364 HH12 ARG 42 2HH1 ARG 42 -11.497 -0.082 -10.679 365 HH21 ARG 42 1HH2 ARG 42 -11.541 2.805 -8.672 366 HH22 ARG 42 2HH2 ARG 42 -12.460 1.802 -9.760 367 H GLN 43 H GLN 43 -6.467 -0.913 -4.175 368 HA GLN 43 HA GLN 43 -8.443 0.823 -3.305 369 HB2 GLN 43 1HB GLN 43 -8.180 -1.583 -2.661 370 HB3 GLN 43 2HB GLN 43 -6.882 -1.100 -1.578 371 HG2 GLN 43 1HG GLN 43 -8.518 0.375 -0.402 372 HG3 GLN 43 2HG GLN 43 -9.785 -0.352 -1.391 373 HE21 GLN 43 1HE2 GLN 43 -10.847 -1.261 0.349 374 HE22 GLN 43 2HE2 GLN 43 -10.197 -2.598 1.243 375 H PHE 44 H PHE 44 -5.093 0.516 -2.212 376 HA PHE 44 HA PHE 44 -5.251 2.259 -0.026 377 HB2 PHE 44 1HB PHE 44 -3.397 0.592 -0.677 378 HB3 PHE 44 2HB PHE 44 -2.761 1.896 -1.673 379 HD1 PHE 44 HD1 PHE 44 -3.824 1.142 1.801 380 HD2 PHE 44 HD2 PHE 44 -1.302 3.443 -0.740 381 HE1 PHE 44 HE1 PHE 44 -2.684 2.060 3.776 382 HE2 PHE 44 HE2 PHE 44 -0.155 4.365 1.234 383 HZ PHE 44 HZ PHE 44 -0.853 3.679 3.493 384 H PHE 45 H PHE 45 -4.370 2.880 -3.409 385 HA PHE 45 HA PHE 45 -3.753 5.623 -3.006 386 HB2 PHE 45 1HB PHE 45 -4.510 4.131 -5.517 387 HB3 PHE 45 2HB PHE 45 -3.967 5.800 -5.492 388 HD1 PHE 45 HD1 PHE 45 -1.669 6.066 -4.049 389 HD2 PHE 45 HD2 PHE 45 -2.956 2.592 -6.142 390 HE1 PHE 45 HE1 PHE 45 0.667 5.305 -4.219 391 HE2 PHE 45 HE2 PHE 45 -0.627 1.826 -6.315 392 HZ PHE 45 HZ PHE 45 1.189 3.185 -5.353 393 H GLU 46 H GLU 46 -6.699 3.910 -3.814 394 HA GLU 46 HA GLU 46 -8.006 6.307 -4.701 395 HB2 GLU 46 1HB GLU 46 -8.316 3.797 -5.452 396 HB3 GLU 46 2HB GLU 46 -9.518 3.800 -4.167 397 HG2 GLU 46 1HG GLU 46 -10.830 5.391 -5.223 398 HG3 GLU 46 2HG GLU 46 -9.495 5.942 -6.239 399 H GLU 47 H GLU 47 -8.365 4.122 -1.913 400 HA GLU 47 HA GLU 47 -10.168 6.091 -0.700 401 HB2 GLU 47 1HB GLU 47 -9.559 3.222 0.021 402 HB3 GLU 47 2HB GLU 47 -10.589 4.272 0.986 403 HG2 GLU 47 1HG GLU 47 -12.040 4.576 -1.006 404 HG3 GLU 47 2HG GLU 47 -11.055 3.383 -1.849 405 H PHE 48 H PHE 48 -7.600 6.883 -0.930 406 HA PHE 48 HA PHE 48 -5.945 6.395 1.297 407 HB2 PHE 48 1HB PHE 48 -5.616 7.683 -1.046 408 HB3 PHE 48 2HB PHE 48 -5.882 9.065 0.009 409 HD1 PHE 48 HD1 PHE 48 -3.835 5.970 -0.224 410 HD2 PHE 48 HD2 PHE 48 -4.090 10.005 1.112 411 HE1 PHE 48 HE1 PHE 48 -1.472 5.898 0.448 412 HE2 PHE 48 HE2 PHE 48 -1.725 9.934 1.787 413 HZ PHE 48 HZ PHE 48 -0.415 7.874 1.449 414 H GLU 49 H GLU 49 -5.402 7.992 2.964 415 HA GLU 49 HA GLU 49 -7.658 8.654 4.510 416 HB2 GLU 49 1HB GLU 49 -6.050 9.648 6.063 417 HB3 GLU 49 2HB GLU 49 -5.487 8.088 5.475 418 HG2 GLU 49 1HG GLU 49 -3.998 9.187 3.906 419 HG3 GLU 49 2HG GLU 49 -4.580 10.763 4.438 420 H GLN 50 H GLN 50 -6.128 10.364 2.005 421 HA GLN 50 HA GLN 50 -6.711 13.012 2.928 422 HB2 GLN 50 1HB GLN 50 -5.979 11.982 0.183 423 HB3 GLN 50 2HB GLN 50 -6.092 13.682 0.617 424 HG2 GLN 50 1HG GLN 50 -4.194 11.685 1.829 425 HG3 GLN 50 2HG GLN 50 -3.786 12.885 0.604 426 HE21 GLN 50 1HE2 GLN 50 -5.462 14.943 1.761 427 HE22 GLN 50 2HE2 GLN 50 -4.662 15.488 3.194 428 H ARG 51 H ARG 51 -8.530 10.535 1.455 429 HA ARG 51 HA ARG 51 -10.533 12.463 0.490 430 HB2 ARG 51 1HB ARG 51 -10.101 9.558 -0.228 431 HB3 ARG 51 2HB ARG 51 -11.449 10.530 -0.806 432 HG2 ARG 51 1HG ARG 51 -9.901 12.034 -1.925 433 HG3 ARG 51 2HG ARG 51 -8.540 11.099 -1.308 434 HD2 ARG 51 1HD ARG 51 -9.260 9.161 -2.566 435 HD3 ARG 51 2HD ARG 51 -10.691 10.029 -3.127 436 HE ARG 51 HE ARG 51 -8.904 11.634 -4.107 437 HH11 ARG 51 1HH1 ARG 51 -8.661 8.143 -3.919 438 HH12 ARG 51 2HH1 ARG 51 -7.621 8.012 -5.312 439 HH21 ARG 51 1HH2 ARG 51 -7.541 11.459 -5.931 440 HH22 ARG 51 2HH2 ARG 51 -6.992 9.897 -6.455 441 H LYS 52 H LYS 52 -12.195 12.778 1.770 442 HA LYS 52 HA LYS 52 -13.179 10.565 3.433 443 HB2 LYS 52 1HB LYS 52 -13.572 12.223 5.266 444 HB3 LYS 52 2HB LYS 52 -11.869 11.954 4.915 445 HG2 LYS 52 1HG LYS 52 -11.817 14.019 3.604 446 HG3 LYS 52 2HG LYS 52 -13.520 14.291 3.977 447 HD2 LYS 52 1HD LYS 52 -12.972 14.392 6.367 448 HD3 LYS 52 2HD LYS 52 -11.268 14.139 5.980 449 HE2 LYS 52 1HE LYS 52 -11.266 16.209 4.667 450 HE3 LYS 52 2HE LYS 52 -12.962 16.465 5.074 451 HZ1 LYS 52 3HZ LYS 52 -12.356 16.646 7.394 452 HZ2 LYS 52 1HZ LYS 52 -11.480 17.769 6.471 453 HZ3 LYS 52 2HZ LYS 52 -10.723 16.355 7.023 Start of MODEL 7 1 H1 MET 1 1H MET 1 -10.735 -5.707 4.343 2 H2 MET 1 2H MET 1 -12.310 -5.903 4.932 3 H3 MET 1 3H MET 1 -11.717 -6.943 3.734 4 HA MET 1 HA MET 1 -10.596 -6.719 6.464 5 HB2 MET 1 1HB MET 1 -12.405 -8.871 5.330 6 HB3 MET 1 2HB MET 1 -11.668 -8.886 6.926 7 HG2 MET 1 1HG MET 1 -13.753 -6.969 5.908 8 HG3 MET 1 2HG MET 1 -13.966 -8.235 7.114 9 HE1 MET 1 3HE MET 1 -11.449 -8.022 8.969 10 HE2 MET 1 1HE MET 1 -13.100 -8.109 9.585 11 HE3 MET 1 2HE MET 1 -12.000 -6.865 10.180 12 H LYS 2 H LYS 2 -11.032 -9.334 4.068 13 HA LYS 2 HA LYS 2 -8.166 -9.900 4.292 14 HB2 LYS 2 1HB LYS 2 -10.459 -11.475 3.116 15 HB3 LYS 2 2HB LYS 2 -8.782 -11.943 2.896 16 HG2 LYS 2 1HG LYS 2 -9.533 -13.253 4.663 17 HG3 LYS 2 2HG LYS 2 -8.626 -11.955 5.437 18 HD2 LYS 2 1HD LYS 2 -10.697 -10.791 5.957 19 HD3 LYS 2 2HD LYS 2 -11.628 -12.042 5.129 20 HE2 LYS 2 1HE LYS 2 -11.694 -12.406 7.519 21 HE3 LYS 2 2HE LYS 2 -10.788 -13.700 6.738 22 HZ1 LYS 2 3HZ LYS 2 -8.736 -12.667 7.410 23 HZ2 LYS 2 1HZ LYS 2 -9.723 -12.873 8.775 24 HZ3 LYS 2 2HZ LYS 2 -9.566 -11.341 8.066 25 H GLN 3 H GLN 3 -7.058 -8.554 2.995 26 HA GLN 3 HA GLN 3 -7.772 -8.601 0.141 27 HB2 GLN 3 1HB GLN 3 -6.785 -6.169 1.647 28 HB3 GLN 3 2HB GLN 3 -7.095 -6.251 -0.080 29 HG2 GLN 3 1HG GLN 3 -9.471 -6.692 0.396 30 HG3 GLN 3 2HG GLN 3 -9.135 -6.513 2.118 31 HE21 GLN 3 1HE2 GLN 3 -7.620 -4.582 -0.374 32 HE22 GLN 3 2HE2 GLN 3 -8.390 -3.096 0.042 33 H TRP 4 H TRP 4 -5.212 -7.415 2.291 34 HA TRP 4 HA TRP 4 -3.253 -8.842 0.632 35 HB2 TRP 4 1HB TRP 4 -1.658 -6.961 1.317 36 HB3 TRP 4 2HB TRP 4 -2.864 -6.584 0.098 37 HD1 TRP 4 HD1 TRP 4 -4.604 -6.484 3.334 38 HE1 TRP 4 HE1 TRP 4 -4.838 -4.068 4.188 39 HE3 TRP 4 HE3 TRP 4 -1.238 -4.231 0.235 40 HZ2 TRP 4 HZ2 TRP 4 -3.722 -1.543 3.610 41 HZ3 TRP 4 HZ3 TRP 4 -0.873 -1.812 0.452 42 HH2 TRP 4 HH2 TRP 4 -2.090 -0.495 2.107 43 H SER 5 H SER 5 -1.097 -9.040 1.913 44 HA SER 5 HA SER 5 -1.491 -10.498 4.244 45 HB2 SER 5 1HB SER 5 1.020 -8.996 3.458 46 HB3 SER 5 2HB SER 5 0.922 -10.364 4.562 47 HG SER 5 HG SER 5 1.402 -10.522 2.050 48 H GLU 6 H GLU 6 -2.101 -9.870 6.191 49 HA GLU 6 HA GLU 6 -2.843 -7.367 6.958 50 HB2 GLU 6 1HB GLU 6 -3.483 -9.362 8.171 51 HB3 GLU 6 2HB GLU 6 -1.828 -9.603 8.715 52 HG2 GLU 6 1HG GLU 6 -1.961 -7.496 9.976 53 HG3 GLU 6 2HG GLU 6 -3.642 -7.322 9.468 54 H ASN 7 H ASN 7 0.359 -8.814 7.493 55 HA ASN 7 HA ASN 7 1.305 -6.689 9.131 56 HB2 ASN 7 1HB ASN 7 2.799 -8.765 7.533 57 HB3 ASN 7 2HB ASN 7 3.571 -7.648 8.650 58 HD21 ASN 7 1HD2 ASN 7 3.119 -7.834 10.881 59 HD22 ASN 7 2HD2 ASN 7 2.550 -9.335 11.546 60 H VAL 8 H VAL 8 1.059 -7.119 5.717 61 HA VAL 8 HA VAL 8 3.033 -5.124 5.073 62 HB VAL 8 HB VAL 8 0.908 -6.323 3.298 63 HG11 VAL 8 1HG1 VAL 8 2.450 -5.633 1.486 64 HG12 VAL 8 2HG1 VAL 8 3.430 -4.793 2.690 65 HG13 VAL 8 3HG1 VAL 8 1.768 -4.281 2.387 66 HG21 VAL 8 3HG2 VAL 8 2.303 -8.079 4.188 67 HG22 VAL 8 1HG2 VAL 8 3.760 -7.178 3.771 68 HG23 VAL 8 2HG2 VAL 8 2.713 -7.800 2.497 69 H GLU 9 H GLU 9 -0.430 -5.325 5.514 70 HA GLU 9 HA GLU 9 -1.267 -2.903 4.469 71 HB2 GLU 9 1HB GLU 9 -2.835 -4.548 5.355 72 HB3 GLU 9 2HB GLU 9 -2.202 -4.308 6.982 73 HG2 GLU 9 1HG GLU 9 -3.053 -2.070 7.050 74 HG3 GLU 9 2HG GLU 9 -3.526 -2.150 5.355 75 H GLU 10 H GLU 10 -0.009 -3.605 7.690 76 HA GLU 10 HA GLU 10 -0.096 -0.916 8.581 77 HB2 GLU 10 1HB GLU 10 -0.174 -2.737 10.163 78 HB3 GLU 10 2HB GLU 10 1.395 -3.330 9.628 79 HG2 GLU 10 1HG GLU 10 2.499 -1.421 10.533 80 HG3 GLU 10 2HG GLU 10 0.963 -0.625 10.874 81 H LYS 11 H LYS 11 2.488 -2.955 7.242 82 HA LYS 11 HA LYS 11 4.510 -1.014 7.773 83 HB2 LYS 11 1HB LYS 11 4.515 -3.533 6.139 84 HB3 LYS 11 2HB LYS 11 5.926 -2.491 6.281 85 HG2 LYS 11 1HG LYS 11 5.710 -2.748 8.781 86 HG3 LYS 11 2HG LYS 11 4.531 -4.018 8.460 87 HD2 LYS 11 1HD LYS 11 7.360 -3.998 7.420 88 HD3 LYS 11 2HD LYS 11 6.828 -4.865 8.859 89 HE2 LYS 11 1HE LYS 11 5.294 -6.190 7.498 90 HE3 LYS 11 2HE LYS 11 5.801 -5.306 6.057 91 HZ1 LYS 11 3HZ LYS 11 7.620 -6.917 7.759 92 HZ2 LYS 11 1HZ LYS 11 8.005 -6.169 6.286 93 HZ3 LYS 11 2HZ LYS 11 6.918 -7.472 6.320 94 H LEU 12 H LEU 12 2.476 -1.671 4.977 95 HA LEU 12 HA LEU 12 4.019 0.008 3.240 96 HB2 LEU 12 1HB LEU 12 2.437 -1.779 2.451 97 HB3 LEU 12 2HB LEU 12 1.111 -0.741 2.940 98 HG LEU 12 HG LEU 12 1.863 0.970 1.331 99 HD11 LEU 12 1HD1 LEU 12 3.902 -1.106 0.530 100 HD12 LEU 12 2HD1 LEU 12 4.242 0.437 1.312 101 HD13 LEU 12 3HD1 LEU 12 3.579 0.404 -0.322 102 HD21 LEU 12 3HD2 LEU 12 1.172 -0.181 -0.674 103 HD22 LEU 12 1HD2 LEU 12 0.206 -0.745 0.689 104 HD23 LEU 12 2HD2 LEU 12 1.519 -1.745 0.063 105 H LYS 13 H LYS 13 1.279 0.430 5.395 106 HA LYS 13 HA LYS 13 0.636 3.090 4.972 107 HB2 LYS 13 1HB LYS 13 -0.505 1.652 6.584 108 HB3 LYS 13 2HB LYS 13 0.930 1.634 7.593 109 HG2 LYS 13 1HG LYS 13 -0.268 4.261 6.913 110 HG3 LYS 13 2HG LYS 13 -1.105 3.235 8.061 111 HD2 LYS 13 1HD LYS 13 1.751 4.182 8.285 112 HD3 LYS 13 2HD LYS 13 0.378 4.839 9.173 113 HE2 LYS 13 1HE LYS 13 1.426 2.009 9.395 114 HE3 LYS 13 2HE LYS 13 1.720 3.306 10.549 115 HZ1 LYS 13 3HZ LYS 13 -0.714 3.419 10.898 116 HZ2 LYS 13 1HZ LYS 13 -0.038 1.935 11.360 117 HZ3 LYS 13 2HZ LYS 13 -0.900 2.053 9.911 118 H GLU 14 H GLU 14 3.207 1.709 6.953 119 HA GLU 14 HA GLU 14 4.359 4.174 7.730 120 HB2 GLU 14 1HB GLU 14 5.636 1.438 7.570 121 HB3 GLU 14 2HB GLU 14 6.225 2.805 8.509 122 HG2 GLU 14 1HG GLU 14 4.257 2.742 9.905 123 HG3 GLU 14 2HG GLU 14 3.572 1.447 8.924 124 H PHE 15 H PHE 15 4.974 1.995 5.024 125 HA PHE 15 HA PHE 15 7.398 3.292 4.287 126 HB2 PHE 15 1HB PHE 15 6.487 0.883 3.755 127 HB3 PHE 15 2HB PHE 15 5.786 1.674 2.353 128 HD1 PHE 15 HD1 PHE 15 9.050 2.183 4.053 129 HD2 PHE 15 HD2 PHE 15 7.052 0.951 0.488 130 HE1 PHE 15 HE1 PHE 15 11.214 1.973 2.908 131 HE2 PHE 15 HE2 PHE 15 9.216 0.740 -0.647 132 HZ PHE 15 HZ PHE 15 11.300 1.252 0.557 133 H VAL 16 H VAL 16 4.034 3.716 3.418 134 HA VAL 16 HA VAL 16 4.717 5.646 1.351 135 HB VAL 16 HB VAL 16 2.004 4.878 2.453 136 HG11 VAL 16 1HG1 VAL 16 1.104 6.013 0.469 137 HG12 VAL 16 2HG1 VAL 16 2.731 6.544 0.044 138 HG13 VAL 16 3HG1 VAL 16 1.972 7.127 1.524 139 HG21 VAL 16 3HG2 VAL 16 3.415 4.067 -0.088 140 HG22 VAL 16 1HG2 VAL 16 1.751 3.659 0.332 141 HG23 VAL 16 2HG2 VAL 16 3.082 3.033 1.301 142 H LYS 17 H LYS 17 2.739 5.785 4.328 143 HA LYS 17 HA LYS 17 2.503 8.577 4.385 144 HB2 LYS 17 1HB LYS 17 0.995 7.149 5.626 145 HB3 LYS 17 2HB LYS 17 2.317 6.530 6.602 146 HG2 LYS 17 1HG LYS 17 1.428 8.026 8.060 147 HG3 LYS 17 2HG LYS 17 2.586 9.070 7.238 148 HD2 LYS 17 1HD LYS 17 0.434 10.186 7.446 149 HD3 LYS 17 2HD LYS 17 0.809 9.874 5.750 150 HE2 LYS 17 1HE LYS 17 -0.670 7.948 5.749 151 HE3 LYS 17 2HE LYS 17 -0.992 8.160 7.469 152 HZ1 LYS 17 3HZ LYS 17 -2.782 9.042 6.130 153 HZ2 LYS 17 1HZ LYS 17 -1.705 10.082 5.323 154 HZ3 LYS 17 2HZ LYS 17 -2.011 10.294 6.977 155 H ARG 18 H ARG 18 4.755 6.444 6.103 156 HA ARG 18 HA ARG 18 5.907 8.704 7.491 157 HB2 ARG 18 1HB ARG 18 6.449 5.741 7.596 158 HB3 ARG 18 2HB ARG 18 7.328 6.915 8.563 159 HG2 ARG 18 1HG ARG 18 5.283 7.592 9.665 160 HG3 ARG 18 2HG ARG 18 4.347 6.524 8.617 161 HD2 ARG 18 1HD ARG 18 5.389 4.580 9.572 162 HD3 ARG 18 2HD ARG 18 6.493 5.587 10.512 163 HE ARG 18 HE ARG 18 3.846 6.265 11.169 164 HH11 ARG 18 1HH1 ARG 18 6.162 3.674 11.550 165 HH12 ARG 18 2HH1 ARG 18 5.462 3.079 13.032 166 HH21 ARG 18 1HH2 ARG 18 2.910 5.506 13.119 167 HH22 ARG 18 2HH2 ARG 18 3.597 4.123 13.916 168 H HIS 19 H HIS 19 6.811 6.538 4.872 169 HA HIS 19 HA HIS 19 9.535 7.545 4.954 170 HB2 HIS 19 1HB HIS 19 8.242 5.319 3.401 171 HB3 HIS 19 2HB HIS 19 9.883 5.858 3.072 172 HD1 HIS 19 HD1 HIS 19 7.870 4.473 6.010 173 HD2 HIS 19 HD2 HIS 19 11.763 4.663 4.566 174 HE1 HIS 19 HE1 HIS 19 9.273 3.044 7.556 175 H GLN 20 H GLN 20 7.478 9.363 4.197 176 HA GLN 20 HA GLN 20 7.191 11.104 2.791 177 HB2 GLN 20 1HB GLN 20 9.903 10.197 1.882 178 HB3 GLN 20 2HB GLN 20 9.129 11.648 1.263 179 HG2 GLN 20 1HG GLN 20 8.949 12.395 3.682 180 HG3 GLN 20 2HG GLN 20 10.062 11.077 4.053 181 HE21 GLN 20 1HE2 GLN 20 11.684 12.469 4.723 182 HE22 GLN 20 2HE2 GLN 20 12.593 13.433 3.603 183 H ARG 21 H ARG 21 6.275 8.402 1.900 184 HA ARG 21 HA ARG 21 4.977 7.631 0.236 185 HB2 ARG 21 1HB ARG 21 5.389 10.329 -1.055 186 HB3 ARG 21 2HB ARG 21 4.095 9.187 -1.377 187 HG2 ARG 21 1HG ARG 21 3.113 9.530 0.736 188 HG3 ARG 21 2HG ARG 21 4.537 10.375 1.339 189 HD2 ARG 21 1HD ARG 21 4.078 12.152 -0.376 190 HD3 ARG 21 2HD ARG 21 2.544 11.341 -0.699 191 HE ARG 21 HE ARG 21 2.724 11.753 2.054 192 HH11 ARG 21 1HH1 ARG 21 2.466 13.697 -0.868 193 HH12 ARG 21 2HH1 ARG 21 1.665 15.015 -0.057 194 HH21 ARG 21 1HH2 ARG 21 1.672 13.474 3.098 195 HH22 ARG 21 2HH2 ARG 21 1.229 14.896 2.198 196 H ILE 22 H ILE 22 5.477 6.169 -1.208 197 HA ILE 22 HA ILE 22 7.925 6.546 -2.785 198 HB ILE 22 HB ILE 22 8.028 4.642 -1.242 199 HG12 ILE 22 1HG1 ILE 22 7.854 3.747 -4.124 200 HG13 ILE 22 2HG1 ILE 22 9.237 4.557 -3.394 201 HG21 ILE 22 1HG2 ILE 22 6.598 2.597 -1.949 202 HG22 ILE 22 2HG2 ILE 22 5.515 3.816 -2.621 203 HG23 ILE 22 3HG2 ILE 22 5.903 3.827 -0.901 204 HD11 ILE 22 3HD1 ILE 22 9.548 2.680 -1.882 205 HD12 ILE 22 1HD1 ILE 22 9.585 2.154 -3.566 206 HD13 ILE 22 2HD1 ILE 22 8.144 1.874 -2.584 207 H THR 23 H THR 23 7.943 6.068 -4.991 208 HA THR 23 HA THR 23 5.546 6.691 -6.363 209 HB THR 23 HB THR 23 6.942 6.182 -8.419 210 HG1 THR 23 HG1 THR 23 9.006 5.547 -8.153 211 HG21 THR 23 3HG2 THR 23 8.035 8.109 -6.364 212 HG22 THR 23 1HG2 THR 23 6.760 8.440 -7.536 213 HG23 THR 23 2HG2 THR 23 8.410 8.144 -8.087 214 H GLN 24 H GLN 24 4.621 5.393 -8.123 215 HA GLN 24 HA GLN 24 3.624 2.989 -7.049 216 HB2 GLN 24 1HB GLN 24 2.320 4.409 -8.554 217 HB3 GLN 24 2HB GLN 24 3.437 4.063 -9.869 218 HG2 GLN 24 1HG GLN 24 2.813 1.658 -9.664 219 HG3 GLN 24 2HG GLN 24 1.580 2.134 -8.499 220 HE21 GLN 24 1HE2 GLN 24 1.038 4.645 -9.967 221 HE22 GLN 24 2HE2 GLN 24 0.083 4.166 -11.331 222 H GLU 25 H GLU 25 6.155 3.641 -9.381 223 HA GLU 25 HA GLU 25 6.430 1.206 -10.647 224 HB2 GLU 25 1HB GLU 25 7.718 3.204 -11.237 225 HB3 GLU 25 2HB GLU 25 8.625 3.075 -9.736 226 HG2 GLU 25 1HG GLU 25 9.987 2.226 -11.489 227 HG3 GLU 25 2HG GLU 25 9.453 0.856 -10.513 228 H GLU 26 H GLU 26 8.349 2.232 -7.828 229 HA GLU 26 HA GLU 26 9.301 -0.419 -7.352 230 HB2 GLU 26 1HB GLU 26 10.562 1.682 -6.812 231 HB3 GLU 26 2HB GLU 26 9.422 1.974 -5.510 232 HG2 GLU 26 1HG GLU 26 11.424 1.016 -4.613 233 HG3 GLU 26 2HG GLU 26 10.113 -0.153 -4.472 234 H LEU 27 H LEU 27 6.657 1.535 -6.212 235 HA LEU 27 HA LEU 27 6.049 0.184 -3.838 236 HB2 LEU 27 1HB LEU 27 5.112 2.389 -4.674 237 HB3 LEU 27 2HB LEU 27 4.047 1.455 -5.699 238 HG LEU 27 HG LEU 27 4.035 1.053 -2.717 239 HD11 LEU 27 1HD1 LEU 27 2.430 3.083 -4.266 240 HD12 LEU 27 2HD1 LEU 27 3.727 3.448 -3.130 241 HD13 LEU 27 3HD1 LEU 27 2.241 2.691 -2.558 242 HD21 LEU 27 3HD2 LEU 27 1.703 0.382 -3.168 243 HD22 LEU 27 1HD2 LEU 27 2.857 -0.608 -4.063 244 HD23 LEU 27 2HD2 LEU 27 1.966 0.670 -4.886 245 H HIS 28 H HIS 28 4.853 -0.352 -7.162 246 HA HIS 28 HA HIS 28 3.106 -2.455 -6.418 247 HB2 HIS 28 1HB HIS 28 3.005 -1.102 -8.567 248 HB3 HIS 28 2HB HIS 28 4.333 -2.102 -9.153 249 HD1 HIS 28 HD1 HIS 28 3.719 -4.835 -8.969 250 HD2 HIS 28 HD2 HIS 28 0.594 -2.104 -9.201 251 HE1 HIS 28 HE1 HIS 28 1.657 -6.165 -9.538 252 H GLN 29 H GLN 29 6.445 -2.403 -7.592 253 HA GLN 29 HA GLN 29 6.852 -5.177 -7.753 254 HB2 GLN 29 1HB GLN 29 8.414 -3.101 -8.318 255 HB3 GLN 29 2HB GLN 29 9.017 -3.394 -6.696 256 HG2 GLN 29 1HG GLN 29 9.022 -5.353 -8.983 257 HG3 GLN 29 2HG GLN 29 10.413 -4.474 -8.359 258 HE21 GLN 29 1HE2 GLN 29 8.291 -7.153 -7.936 259 HE22 GLN 29 2HE2 GLN 29 9.138 -7.884 -6.614 260 H TYR 30 H TYR 30 7.285 -2.890 -5.100 261 HA TYR 30 HA TYR 30 8.064 -4.704 -3.102 262 HB2 TYR 30 1HB TYR 30 8.271 -2.198 -3.060 263 HB3 TYR 30 2HB TYR 30 6.546 -2.112 -2.748 264 HD1 TYR 30 HD1 TYR 30 9.546 -3.873 -1.343 265 HD2 TYR 30 HD2 TYR 30 5.927 -1.773 -0.565 266 HE1 TYR 30 HE1 TYR 30 10.000 -3.995 1.073 267 HE2 TYR 30 HE2 TYR 30 6.367 -1.894 1.850 268 HH TYR 30 HH TYR 30 9.406 -2.865 3.131 269 H ALA 31 H ALA 31 4.945 -3.971 -4.457 270 HA ALA 31 HA ALA 31 3.380 -4.931 -2.276 271 HB1 ALA 31 3HB ALA 31 2.496 -3.379 -3.977 272 HB2 ALA 31 1HB ALA 31 1.509 -4.834 -3.821 273 HB3 ALA 31 2HB ALA 31 2.614 -4.661 -5.184 274 H GLN 32 H GLN 32 4.382 -6.313 -5.390 275 HA GLN 32 HA GLN 32 3.231 -8.877 -4.864 276 HB2 GLN 32 1HB GLN 32 5.451 -8.200 -6.808 277 HB3 GLN 32 2HB GLN 32 4.432 -9.629 -6.836 278 HG2 GLN 32 1HG GLN 32 3.392 -6.828 -7.205 279 HG3 GLN 32 2HG GLN 32 3.866 -7.884 -8.527 280 HE21 GLN 32 1HE2 GLN 32 2.259 -9.084 -5.663 281 HE22 GLN 32 2HE2 GLN 32 0.763 -9.465 -6.432 282 H ARG 33 H ARG 33 6.168 -7.294 -4.108 283 HA ARG 33 HA ARG 33 7.811 -9.506 -3.502 284 HB2 ARG 33 1HB ARG 33 8.580 -7.180 -3.900 285 HB3 ARG 33 2HB ARG 33 7.855 -6.700 -2.377 286 HG2 ARG 33 1HG ARG 33 9.416 -8.109 -1.164 287 HG3 ARG 33 2HG ARG 33 10.117 -8.666 -2.689 288 HD2 ARG 33 1HD ARG 33 10.723 -6.340 -3.232 289 HD3 ARG 33 2HD ARG 33 10.074 -5.822 -1.679 290 HE ARG 33 HE ARG 33 11.877 -7.533 -0.832 291 HH11 ARG 33 1HH1 ARG 33 12.137 -5.223 -3.447 292 HH12 ARG 33 2HH1 ARG 33 13.845 -4.988 -3.260 293 HH21 ARG 33 1HH2 ARG 33 14.139 -7.213 -0.552 294 HH22 ARG 33 2HH2 ARG 33 14.981 -6.125 -1.609 295 H LEU 34 H LEU 34 5.409 -7.713 -1.636 296 HA LEU 34 HA LEU 34 6.095 -9.293 0.738 297 HB2 LEU 34 1HB LEU 34 4.382 -6.832 0.459 298 HB3 LEU 34 2HB LEU 34 4.647 -7.692 1.962 299 HG LEU 34 HG LEU 34 6.652 -6.128 0.355 300 HD11 LEU 34 1HD1 LEU 34 5.707 -5.883 3.206 301 HD12 LEU 34 2HD1 LEU 34 5.187 -4.869 1.861 302 HD13 LEU 34 3HD1 LEU 34 6.869 -4.833 2.393 303 HD21 LEU 34 3HD2 LEU 34 7.723 -8.190 1.077 304 HD22 LEU 34 1HD2 LEU 34 7.165 -7.918 2.728 305 HD23 LEU 34 2HD2 LEU 34 8.333 -6.816 1.998 306 H GLY 35 H GLY 35 4.077 -9.645 -1.793 307 HA2 GLY 35 1HA GLY 35 2.593 -11.451 -1.969 308 HA3 GLY 35 2HA GLY 35 2.461 -11.491 -0.223 309 H LEU 36 H LEU 36 1.945 -8.710 -2.353 310 HA LEU 36 HA LEU 36 -0.746 -8.493 -1.225 311 HB2 LEU 36 1HB LEU 36 0.706 -6.479 -2.933 312 HB3 LEU 36 2HB LEU 36 -0.749 -6.222 -1.988 313 HG LEU 36 HG LEU 36 2.057 -6.619 -0.958 314 HD11 LEU 36 1HD1 LEU 36 1.652 -4.466 0.101 315 HD12 LEU 36 2HD1 LEU 36 0.029 -4.419 -0.586 316 HD13 LEU 36 3HD1 LEU 36 1.438 -4.358 -1.645 317 HD21 LEU 36 3HD2 LEU 36 0.598 -7.989 0.403 318 HD22 LEU 36 1HD2 LEU 36 -0.530 -6.648 0.594 319 HD23 LEU 36 2HD2 LEU 36 1.084 -6.549 1.300 320 H ASN 37 H ASN 37 -2.338 -7.451 -2.777 321 HA ASN 37 HA ASN 37 -2.194 -8.662 -5.437 322 HB2 ASN 37 1HB ASN 37 -4.425 -9.525 -5.317 323 HB3 ASN 37 2HB ASN 37 -3.559 -10.114 -3.909 324 HD21 ASN 37 1HD2 ASN 37 -3.916 -7.307 -2.692 325 HD22 ASN 37 2HD2 ASN 37 -5.527 -7.363 -2.078 326 H GLU 38 H GLU 38 -3.902 -7.684 -6.916 327 HA GLU 38 HA GLU 38 -3.341 -4.917 -6.940 328 HB2 GLU 38 1HB GLU 38 -5.273 -6.517 -8.621 329 HB3 GLU 38 2HB GLU 38 -4.786 -4.860 -8.952 330 HG2 GLU 38 1HG GLU 38 -2.456 -5.602 -9.170 331 HG3 GLU 38 2HG GLU 38 -2.973 -7.262 -8.886 332 H GLU 39 H GLU 39 -6.062 -6.748 -5.793 333 HA GLU 39 HA GLU 39 -8.047 -4.863 -5.467 334 HB2 GLU 39 1HB GLU 39 -8.518 -7.061 -4.761 335 HB3 GLU 39 2HB GLU 39 -7.078 -7.141 -3.758 336 HG2 GLU 39 1HG GLU 39 -8.926 -7.027 -2.297 337 HG3 GLU 39 2HG GLU 39 -8.149 -5.447 -2.250 338 H ALA 40 H ALA 40 -5.389 -5.577 -3.260 339 HA ALA 40 HA ALA 40 -6.049 -3.502 -1.426 340 HB1 ALA 40 3HB ALA 40 -3.973 -4.117 -0.313 341 HB2 ALA 40 1HB ALA 40 -3.501 -5.087 -1.709 342 HB3 ALA 40 2HB ALA 40 -4.903 -5.553 -0.745 343 H ILE 41 H ILE 41 -3.828 -3.837 -4.112 344 HA ILE 41 HA ILE 41 -2.253 -1.564 -3.629 345 HB ILE 41 HB ILE 41 -2.914 -2.846 -6.286 346 HG12 ILE 41 1HG1 ILE 41 -0.586 -3.309 -4.405 347 HG13 ILE 41 2HG1 ILE 41 -1.955 -4.398 -4.605 348 HG21 ILE 41 1HG2 ILE 41 -1.973 -0.614 -6.565 349 HG22 ILE 41 2HG2 ILE 41 -0.806 -1.843 -7.053 350 HG23 ILE 41 3HG2 ILE 41 -0.632 -1.031 -5.498 351 HD11 ILE 41 3HD1 ILE 41 0.082 -3.685 -6.702 352 HD12 ILE 41 1HD1 ILE 41 -1.314 -4.734 -6.950 353 HD13 ILE 41 2HD1 ILE 41 -0.042 -5.209 -5.824 354 H ARG 42 H ARG 42 -5.129 -2.005 -5.688 355 HA ARG 42 HA ARG 42 -5.294 0.715 -6.470 356 HB2 ARG 42 1HB ARG 42 -6.432 -0.938 -7.796 357 HB3 ARG 42 2HB ARG 42 -7.383 -1.470 -6.411 358 HG2 ARG 42 1HG ARG 42 -8.334 0.863 -6.338 359 HG3 ARG 42 2HG ARG 42 -7.564 1.120 -7.901 360 HD2 ARG 42 1HD ARG 42 -8.936 -0.449 -8.965 361 HD3 ARG 42 2HD ARG 42 -9.429 -1.183 -7.434 362 HE ARG 42 HE ARG 42 -10.536 1.047 -6.987 363 HH11 ARG 42 1HH1 ARG 42 -10.204 -0.289 -10.216 364 HH12 ARG 42 2HH1 ARG 42 -11.492 0.668 -10.871 365 HH21 ARG 42 1HH2 ARG 42 -12.203 2.297 -7.841 366 HH22 ARG 42 2HH2 ARG 42 -12.652 2.121 -9.515 367 H GLN 43 H GLN 43 -6.867 -1.166 -3.929 368 HA GLN 43 HA GLN 43 -8.670 0.711 -2.981 369 HB2 GLN 43 1HB GLN 43 -8.665 -1.631 -2.297 370 HB3 GLN 43 2HB GLN 43 -7.144 -1.404 -1.451 371 HG2 GLN 43 1HG GLN 43 -8.991 -1.479 0.102 372 HG3 GLN 43 2HG GLN 43 -8.236 0.115 0.115 373 HE21 GLN 43 1HE2 GLN 43 -9.376 1.874 -0.626 374 HE22 GLN 43 2HE2 GLN 43 -11.082 1.823 -0.934 375 H PHE 44 H PHE 44 -5.265 0.273 -2.123 376 HA PHE 44 HA PHE 44 -5.321 2.147 0.021 377 HB2 PHE 44 1HB PHE 44 -3.635 0.174 -0.616 378 HB3 PHE 44 2HB PHE 44 -2.756 1.513 -1.346 379 HD1 PHE 44 HD1 PHE 44 -4.758 1.327 1.784 380 HD2 PHE 44 HD2 PHE 44 -0.935 1.941 0.020 381 HE1 PHE 44 HE1 PHE 44 -3.830 1.867 3.996 382 HE2 PHE 44 HE2 PHE 44 0.000 2.484 2.231 383 HZ PHE 44 HZ PHE 44 -1.449 2.444 4.223 384 H PHE 45 H PHE 45 -4.779 2.401 -3.408 385 HA PHE 45 HA PHE 45 -3.668 5.059 -3.235 386 HB2 PHE 45 1HB PHE 45 -4.435 3.243 -5.487 387 HB3 PHE 45 2HB PHE 45 -4.227 4.960 -5.803 388 HD1 PHE 45 HD1 PHE 45 -1.976 5.974 -4.857 389 HD2 PHE 45 HD2 PHE 45 -2.621 1.858 -5.725 390 HE1 PHE 45 HE1 PHE 45 0.450 5.644 -5.088 391 HE2 PHE 45 HE2 PHE 45 -0.197 1.525 -5.959 392 HZ PHE 45 HZ PHE 45 1.342 3.418 -5.643 393 H GLU 46 H GLU 46 -6.691 3.722 -4.595 394 HA GLU 46 HA GLU 46 -7.698 6.270 -5.298 395 HB2 GLU 46 1HB GLU 46 -9.496 5.154 -6.195 396 HB3 GLU 46 2HB GLU 46 -8.326 3.848 -6.115 397 HG2 GLU 46 1HG GLU 46 -9.333 3.072 -4.023 398 HG3 GLU 46 2HG GLU 46 -10.522 4.369 -4.129 399 H GLU 47 H GLU 47 -8.032 4.291 -2.454 400 HA GLU 47 HA GLU 47 -9.584 6.432 -1.184 401 HB2 GLU 47 1HB GLU 47 -11.088 4.602 -1.906 402 HB3 GLU 47 2HB GLU 47 -10.153 3.472 -0.945 403 HG2 GLU 47 1HG GLU 47 -10.783 4.680 1.085 404 HG3 GLU 47 2HG GLU 47 -11.722 5.814 0.114 405 H PHE 48 H PHE 48 -7.106 6.607 -0.771 406 HA PHE 48 HA PHE 48 -5.937 5.028 1.260 407 HB2 PHE 48 1HB PHE 48 -4.695 6.564 -0.293 408 HB3 PHE 48 2HB PHE 48 -5.346 7.928 0.601 409 HD1 PHE 48 HD1 PHE 48 -3.233 4.904 0.945 410 HD2 PHE 48 HD2 PHE 48 -4.268 8.723 2.513 411 HE1 PHE 48 HE1 PHE 48 -1.328 4.781 2.492 412 HE2 PHE 48 HE2 PHE 48 -2.359 8.609 4.059 413 HZ PHE 48 HZ PHE 48 -0.885 6.635 4.053 414 H GLU 49 H GLU 49 -7.088 8.383 1.495 415 HA GLU 49 HA GLU 49 -8.976 8.161 3.442 416 HB2 GLU 49 1HB GLU 49 -7.925 8.731 5.543 417 HB3 GLU 49 2HB GLU 49 -7.191 7.259 4.928 418 HG2 GLU 49 1HG GLU 49 -5.273 8.570 4.130 419 HG3 GLU 49 2HG GLU 49 -6.018 10.028 4.785 420 H GLN 50 H GLN 50 -6.296 10.013 2.167 421 HA GLN 50 HA GLN 50 -7.473 12.533 3.023 422 HB2 GLN 50 1HB GLN 50 -4.976 12.040 1.392 423 HB3 GLN 50 2HB GLN 50 -5.463 13.567 2.112 424 HG2 GLN 50 1HG GLN 50 -4.737 11.069 3.623 425 HG3 GLN 50 2HG GLN 50 -3.692 12.464 3.376 426 HE21 GLN 50 1HE2 GLN 50 -5.900 14.367 3.719 427 HE22 GLN 50 2HE2 GLN 50 -6.241 14.396 5.413 428 H ARG 51 H ARG 51 -7.492 10.500 0.279 429 HA ARG 51 HA ARG 51 -7.783 12.536 -1.701 430 HB2 ARG 51 1HB ARG 51 -8.105 9.552 -1.732 431 HB3 ARG 51 2HB ARG 51 -8.618 10.524 -3.107 432 HG2 ARG 51 1HG ARG 51 -6.302 11.480 -3.176 433 HG3 ARG 51 2HG ARG 51 -5.848 10.277 -1.966 434 HD2 ARG 51 1HD ARG 51 -6.438 8.482 -3.463 435 HD3 ARG 51 2HD ARG 51 -7.060 9.630 -4.649 436 HE ARG 51 HE ARG 51 -4.391 10.282 -4.159 437 HH11 ARG 51 1HH1 ARG 51 -6.246 7.682 -5.572 438 HH12 ARG 51 2HH1 ARG 51 -4.994 7.193 -6.670 439 HH21 ARG 51 1HH2 ARG 51 -2.707 9.635 -5.572 440 HH22 ARG 51 2HH2 ARG 51 -2.965 8.302 -6.661 441 H LYS 52 H LYS 52 -9.426 13.864 -1.327 442 HA LYS 52 HA LYS 52 -12.122 12.787 -1.646 443 HB2 LYS 52 1HB LYS 52 -11.318 14.772 0.501 444 HB3 LYS 52 2HB LYS 52 -12.974 14.341 0.103 445 HG2 LYS 52 1HG LYS 52 -12.610 12.077 0.846 446 HG3 LYS 52 2HG LYS 52 -10.901 12.408 1.121 447 HD2 LYS 52 1HD LYS 52 -11.850 12.538 3.251 448 HD3 LYS 52 2HD LYS 52 -11.712 14.220 2.745 449 HE2 LYS 52 1HE LYS 52 -14.228 12.580 2.481 450 HE3 LYS 52 2HE LYS 52 -13.875 13.621 3.855 451 HZ1 LYS 52 3HZ LYS 52 -14.371 14.409 1.043 452 HZ2 LYS 52 1HZ LYS 52 -13.646 15.464 2.159 453 HZ3 LYS 52 2HZ LYS 52 -15.211 14.881 2.433 Start of MODEL 8 1 H1 MET 1 1H MET 1 -11.022 -7.084 6.007 2 H2 MET 1 2H MET 1 -9.674 -6.065 5.995 3 H3 MET 1 3H MET 1 -10.695 -6.098 7.347 4 HA MET 1 HA MET 1 -8.663 -7.272 7.786 5 HB2 MET 1 1HB MET 1 -9.701 -9.494 8.439 6 HB3 MET 1 2HB MET 1 -10.566 -8.072 9.008 7 HG2 MET 1 1HG MET 1 -12.196 -8.331 7.232 8 HG3 MET 1 2HG MET 1 -11.312 -9.721 6.604 9 HE1 MET 1 3HE MET 1 -13.339 -8.296 9.657 10 HE2 MET 1 1HE MET 1 -11.837 -8.837 10.403 11 HE3 MET 1 2HE MET 1 -13.347 -9.680 10.749 12 H LYS 2 H LYS 2 -10.488 -9.027 5.210 13 HA LYS 2 HA LYS 2 -7.878 -10.089 4.353 14 HB2 LYS 2 1HB LYS 2 -10.636 -11.187 3.777 15 HB3 LYS 2 2HB LYS 2 -9.126 -11.879 3.214 16 HG2 LYS 2 1HG LYS 2 -9.951 -11.634 6.099 17 HG3 LYS 2 2HG LYS 2 -10.096 -13.089 5.117 18 HD2 LYS 2 1HD LYS 2 -7.573 -12.885 4.756 19 HD3 LYS 2 2HD LYS 2 -7.601 -11.720 6.083 20 HE2 LYS 2 1HE LYS 2 -8.431 -14.611 6.166 21 HE3 LYS 2 2HE LYS 2 -7.061 -13.863 6.985 22 HZ1 LYS 2 3HZ LYS 2 -8.596 -12.595 8.346 23 HZ2 LYS 2 1HZ LYS 2 -8.932 -14.250 8.486 24 HZ3 LYS 2 2HZ LYS 2 -9.924 -13.269 7.532 25 H GLN 3 H GLN 3 -7.059 -9.296 2.603 26 HA GLN 3 HA GLN 3 -8.332 -8.947 0.152 27 HB2 GLN 3 1HB GLN 3 -9.320 -6.975 1.538 28 HB3 GLN 3 2HB GLN 3 -7.723 -6.260 1.378 29 HG2 GLN 3 1HG GLN 3 -9.206 -5.396 -0.319 30 HG3 GLN 3 2HG GLN 3 -7.936 -6.366 -1.064 31 HE21 GLN 3 1HE2 GLN 3 -11.309 -6.156 -0.318 32 HE22 GLN 3 2HE2 GLN 3 -11.824 -7.461 -1.329 33 H TRP 4 H TRP 4 -5.972 -7.336 2.219 34 HA TRP 4 HA TRP 4 -3.843 -7.997 0.300 35 HB2 TRP 4 1HB TRP 4 -2.648 -6.323 2.086 36 HB3 TRP 4 2HB TRP 4 -3.400 -5.783 0.595 37 HD1 TRP 4 HD1 TRP 4 -4.986 -3.811 0.941 38 HE1 TRP 4 HE1 TRP 4 -6.441 -2.913 2.857 39 HE3 TRP 4 HE3 TRP 4 -4.020 -7.406 4.446 40 HZ2 TRP 4 HZ2 TRP 4 -7.089 -3.628 5.507 41 HZ3 TRP 4 HZ3 TRP 4 -5.094 -7.218 6.646 42 HH2 TRP 4 HH2 TRP 4 -6.595 -5.367 7.167 43 H SER 5 H SER 5 -1.659 -8.205 1.646 44 HA SER 5 HA SER 5 -1.988 -10.242 3.641 45 HB2 SER 5 1HB SER 5 -0.012 -10.245 2.164 46 HB3 SER 5 2HB SER 5 0.484 -8.691 2.829 47 HG SER 5 HG SER 5 0.086 -10.965 4.468 48 H GLU 6 H GLU 6 -2.028 -9.974 5.813 49 HA GLU 6 HA GLU 6 -2.940 -7.582 6.889 50 HB2 GLU 6 1HB GLU 6 -3.304 -9.737 7.959 51 HB3 GLU 6 2HB GLU 6 -1.584 -9.896 8.281 52 HG2 GLU 6 1HG GLU 6 -1.767 -7.815 9.680 53 HG3 GLU 6 2HG GLU 6 -3.517 -7.944 9.499 54 H ASN 7 H ASN 7 0.307 -8.920 6.853 55 HA ASN 7 HA ASN 7 1.524 -7.056 8.572 56 HB2 ASN 7 1HB ASN 7 2.479 -9.263 7.875 57 HB3 ASN 7 2HB ASN 7 2.790 -8.558 6.291 58 HD21 ASN 7 1HD2 ASN 7 3.151 -6.983 9.420 59 HD22 ASN 7 2HD2 ASN 7 4.867 -6.771 9.310 60 H VAL 8 H VAL 8 0.996 -7.085 5.107 61 HA VAL 8 HA VAL 8 2.866 -5.080 4.452 62 HB VAL 8 HB VAL 8 0.392 -5.841 2.892 63 HG11 VAL 8 1HG1 VAL 8 1.300 -3.819 2.054 64 HG12 VAL 8 2HG1 VAL 8 1.830 -5.102 0.971 65 HG13 VAL 8 3HG1 VAL 8 2.949 -4.432 2.157 66 HG21 VAL 8 3HG2 VAL 8 1.873 -7.383 1.683 67 HG22 VAL 8 1HG2 VAL 8 1.734 -7.810 3.388 68 HG23 VAL 8 2HG2 VAL 8 3.182 -6.993 2.800 69 H GLU 9 H GLU 9 -0.638 -4.978 4.967 70 HA GLU 9 HA GLU 9 -1.205 -2.375 4.295 71 HB2 GLU 9 1HB GLU 9 -2.691 -4.328 5.146 72 HB3 GLU 9 2HB GLU 9 -2.383 -3.664 6.740 73 HG2 GLU 9 1HG GLU 9 -3.468 -1.928 4.559 74 HG3 GLU 9 2HG GLU 9 -4.526 -2.998 5.469 75 H GLU 10 H GLU 10 0.038 -3.594 7.353 76 HA GLU 10 HA GLU 10 0.062 -1.193 8.804 77 HB2 GLU 10 1HB GLU 10 0.263 -3.225 9.994 78 HB3 GLU 10 2HB GLU 10 1.601 -3.773 8.995 79 HG2 GLU 10 1HG GLU 10 3.038 -2.061 9.980 80 HG3 GLU 10 2HG GLU 10 1.692 -1.523 10.994 81 H LYS 11 H LYS 11 2.760 -2.856 7.175 82 HA LYS 11 HA LYS 11 4.575 -0.735 7.767 83 HB2 LYS 11 1HB LYS 11 5.283 -3.065 7.668 84 HB3 LYS 11 2HB LYS 11 4.872 -3.132 5.959 85 HG2 LYS 11 1HG LYS 11 6.588 -1.477 5.469 86 HG3 LYS 11 2HG LYS 11 6.990 -1.374 7.181 87 HD2 LYS 11 1HD LYS 11 7.213 -3.872 5.501 88 HD3 LYS 11 2HD LYS 11 8.557 -2.803 5.906 89 HE2 LYS 11 1HE LYS 11 8.012 -3.223 8.328 90 HE3 LYS 11 2HE LYS 11 6.894 -4.473 7.784 91 HZ1 LYS 11 3HZ LYS 11 9.019 -5.431 8.363 92 HZ2 LYS 11 1HZ LYS 11 9.820 -4.400 7.279 93 HZ3 LYS 11 2HZ LYS 11 8.763 -5.591 6.697 94 H LEU 12 H LEU 12 2.497 -1.480 5.095 95 HA LEU 12 HA LEU 12 3.762 0.032 3.077 96 HB2 LEU 12 1HB LEU 12 1.607 -1.572 3.135 97 HB3 LEU 12 2HB LEU 12 0.801 -0.020 3.194 98 HG LEU 12 HG LEU 12 1.991 0.625 1.102 99 HD11 LEU 12 1HD1 LEU 12 3.913 -0.811 1.235 100 HD12 LEU 12 2HD1 LEU 12 3.003 -1.213 -0.221 101 HD13 LEU 12 3HD1 LEU 12 2.891 -2.246 1.199 102 HD21 LEU 12 3HD2 LEU 12 0.614 -0.757 -0.371 103 HD22 LEU 12 1HD2 LEU 12 -0.291 -0.231 1.046 104 HD23 LEU 12 2HD2 LEU 12 0.320 -1.883 0.954 105 H LYS 13 H LYS 13 1.270 0.815 5.442 106 HA LYS 13 HA LYS 13 0.813 3.481 4.841 107 HB2 LYS 13 1HB LYS 13 -0.507 2.221 6.465 108 HB3 LYS 13 2HB LYS 13 0.880 2.114 7.536 109 HG2 LYS 13 1HG LYS 13 0.838 4.633 7.649 110 HG3 LYS 13 2HG LYS 13 -0.724 4.551 6.830 111 HD2 LYS 13 1HD LYS 13 -1.017 4.691 9.249 112 HD3 LYS 13 2HD LYS 13 -1.603 3.147 8.630 113 HE2 LYS 13 1HE LYS 13 0.548 2.108 9.304 114 HE3 LYS 13 2HE LYS 13 1.040 3.649 10.007 115 HZ1 LYS 13 3HZ LYS 13 -0.910 3.509 11.479 116 HZ2 LYS 13 1HZ LYS 13 0.179 2.229 11.711 117 HZ3 LYS 13 2HZ LYS 13 -1.258 1.969 10.853 118 H GLU 14 H GLU 14 3.290 2.030 6.901 119 HA GLU 14 HA GLU 14 4.472 4.470 7.700 120 HB2 GLU 14 1HB GLU 14 5.686 1.716 7.514 121 HB3 GLU 14 2HB GLU 14 6.391 3.083 8.365 122 HG2 GLU 14 1HG GLU 14 4.393 3.145 9.821 123 HG3 GLU 14 2HG GLU 14 3.811 1.687 9.018 124 H PHE 15 H PHE 15 5.216 2.186 5.103 125 HA PHE 15 HA PHE 15 7.589 3.409 4.234 126 HB2 PHE 15 1HB PHE 15 6.393 1.093 3.671 127 HB3 PHE 15 2HB PHE 15 5.855 2.004 2.267 128 HD1 PHE 15 HD1 PHE 15 9.083 2.135 4.098 129 HD2 PHE 15 HD2 PHE 15 7.113 1.117 0.451 130 HE1 PHE 15 HE1 PHE 15 11.255 1.690 3.045 131 HE2 PHE 15 HE2 PHE 15 9.290 0.670 -0.591 132 HZ PHE 15 HZ PHE 15 11.362 0.957 0.700 133 H VAL 16 H VAL 16 4.249 4.134 3.595 134 HA VAL 16 HA VAL 16 4.934 5.975 1.440 135 HB VAL 16 HB VAL 16 2.235 5.310 2.639 136 HG11 VAL 16 1HG1 VAL 16 2.245 7.542 1.666 137 HG12 VAL 16 2HG1 VAL 16 1.312 6.436 0.658 138 HG13 VAL 16 3HG1 VAL 16 2.941 6.906 0.175 139 HG21 VAL 16 3HG2 VAL 16 3.263 3.416 1.476 140 HG22 VAL 16 1HG2 VAL 16 3.503 4.421 0.048 141 HG23 VAL 16 2HG2 VAL 16 1.870 4.033 0.587 142 H LYS 17 H LYS 17 3.445 6.133 4.688 143 HA LYS 17 HA LYS 17 3.231 9.015 4.483 144 HB2 LYS 17 1HB LYS 17 1.392 7.757 5.476 145 HB3 LYS 17 2HB LYS 17 2.467 7.126 6.714 146 HG2 LYS 17 1HG LYS 17 1.145 8.883 7.658 147 HG3 LYS 17 2HG LYS 17 2.815 9.439 7.533 148 HD2 LYS 17 1HD LYS 17 1.375 11.221 6.828 149 HD3 LYS 17 2HD LYS 17 2.198 10.584 5.404 150 HE2 LYS 17 1HE LYS 17 -0.125 10.962 4.880 151 HE3 LYS 17 2HE LYS 17 0.193 9.228 4.898 152 HZ1 LYS 17 3HZ LYS 17 -1.015 10.751 7.142 153 HZ2 LYS 17 1HZ LYS 17 -0.802 9.070 7.074 154 HZ3 LYS 17 2HZ LYS 17 -1.893 9.832 6.022 155 H ARG 18 H ARG 18 4.982 6.703 6.554 156 HA ARG 18 HA ARG 18 6.118 8.834 8.129 157 HB2 ARG 18 1HB ARG 18 6.650 5.857 8.147 158 HB3 ARG 18 2HB ARG 18 7.314 7.001 9.307 159 HG2 ARG 18 1HG ARG 18 5.081 7.552 10.077 160 HG3 ARG 18 2HG ARG 18 4.379 6.464 8.882 161 HD2 ARG 18 1HD ARG 18 4.380 5.238 10.883 162 HD3 ARG 18 2HD ARG 18 5.767 4.630 9.982 163 HE ARG 18 HE ARG 18 6.767 6.641 11.567 164 HH11 ARG 18 1HH1 ARG 18 5.161 3.572 12.047 165 HH12 ARG 18 2HH1 ARG 18 5.753 3.350 13.665 166 HH21 ARG 18 1HH2 ARG 18 7.557 6.364 13.699 167 HH22 ARG 18 2HH2 ARG 18 7.110 4.955 14.618 168 H HIS 19 H HIS 19 7.113 6.833 5.458 169 HA HIS 19 HA HIS 19 9.878 7.678 5.663 170 HB2 HIS 19 1HB HIS 19 8.398 5.907 3.730 171 HB3 HIS 19 2HB HIS 19 10.077 6.374 3.481 172 HD1 HIS 19 HD1 HIS 19 11.750 4.802 4.471 173 HD2 HIS 19 HD2 HIS 19 8.061 4.569 6.370 174 HE1 HIS 19 HE1 HIS 19 11.922 2.903 6.130 175 H GLN 20 H GLN 20 10.316 7.820 2.784 176 HA GLN 20 HA GLN 20 9.866 10.670 2.565 177 HB2 GLN 20 1HB GLN 20 11.265 8.790 0.657 178 HB3 GLN 20 2HB GLN 20 11.373 10.545 0.663 179 HG2 GLN 20 1HG GLN 20 12.541 10.531 2.748 180 HG3 GLN 20 2HG GLN 20 12.275 8.798 2.936 181 HE21 GLN 20 1HE2 GLN 20 13.422 7.354 1.639 182 HE22 GLN 20 2HE2 GLN 20 14.880 7.824 0.832 183 H ARG 21 H ARG 21 7.794 8.383 2.037 184 HA ARG 21 HA ARG 21 5.979 8.007 0.749 185 HB2 ARG 21 1HB ARG 21 5.885 10.576 0.724 186 HB3 ARG 21 2HB ARG 21 6.582 10.461 -0.887 187 HG2 ARG 21 1HG ARG 21 4.678 9.048 -1.574 188 HG3 ARG 21 2HG ARG 21 3.969 9.275 0.025 189 HD2 ARG 21 1HD ARG 21 2.899 10.856 -1.327 190 HD3 ARG 21 2HD ARG 21 4.124 11.776 -0.455 191 HE ARG 21 HE ARG 21 4.738 10.783 -3.146 192 HH11 ARG 21 1HH1 ARG 21 4.150 13.464 -0.970 193 HH12 ARG 21 2HH1 ARG 21 4.653 14.667 -2.123 194 HH21 ARG 21 1HH2 ARG 21 5.328 12.354 -4.679 195 HH22 ARG 21 2HH2 ARG 21 5.302 14.034 -4.233 196 H ILE 22 H ILE 22 5.574 6.784 -1.037 197 HA ILE 22 HA ILE 22 7.944 6.314 -2.716 198 HB ILE 22 HB ILE 22 7.545 4.508 -1.099 199 HG12 ILE 22 1HG1 ILE 22 6.949 3.636 -3.934 200 HG13 ILE 22 2HG1 ILE 22 8.552 4.018 -3.311 201 HG21 ILE 22 1HG2 ILE 22 5.547 2.988 -1.602 202 HG22 ILE 22 2HG2 ILE 22 4.848 4.398 -2.400 203 HG23 ILE 22 3HG2 ILE 22 5.255 4.462 -0.684 204 HD11 ILE 22 3HD1 ILE 22 8.213 1.634 -3.377 205 HD12 ILE 22 1HD1 ILE 22 6.763 1.785 -2.384 206 HD13 ILE 22 2HD1 ILE 22 8.342 2.183 -1.707 207 H THR 23 H THR 23 7.680 5.809 -4.873 208 HA THR 23 HA THR 23 5.247 6.789 -6.088 209 HB THR 23 HB THR 23 6.551 6.309 -8.233 210 HG1 THR 23 HG1 THR 23 8.658 5.733 -8.050 211 HG21 THR 23 3HG2 THR 23 7.993 8.281 -7.933 212 HG22 THR 23 1HG2 THR 23 7.720 8.204 -6.192 213 HG23 THR 23 2HG2 THR 23 6.376 8.546 -7.280 214 H GLN 24 H GLN 24 4.202 5.557 -7.855 215 HA GLN 24 HA GLN 24 3.220 3.153 -6.799 216 HB2 GLN 24 1HB GLN 24 1.989 4.725 -8.300 217 HB3 GLN 24 2HB GLN 24 2.949 4.120 -9.643 218 HG2 GLN 24 1HG GLN 24 2.028 1.904 -9.345 219 HG3 GLN 24 2HG GLN 24 1.119 2.446 -7.935 220 HE21 GLN 24 1HE2 GLN 24 -0.857 1.942 -8.814 221 HE22 GLN 24 2HE2 GLN 24 -1.568 2.841 -10.114 222 H GLU 25 H GLU 25 5.670 3.771 -9.242 223 HA GLU 25 HA GLU 25 5.910 1.258 -10.401 224 HB2 GLU 25 1HB GLU 25 7.112 3.212 -11.217 225 HB3 GLU 25 2HB GLU 25 8.070 3.263 -9.743 226 HG2 GLU 25 1HG GLU 25 9.426 2.315 -11.430 227 HG3 GLU 25 2HG GLU 25 8.961 1.007 -10.344 228 H GLU 26 H GLU 26 7.820 2.519 -7.671 229 HA GLU 26 HA GLU 26 8.997 -0.018 -7.091 230 HB2 GLU 26 1HB GLU 26 10.044 2.212 -6.602 231 HB3 GLU 26 2HB GLU 26 8.854 2.440 -5.332 232 HG2 GLU 26 1HG GLU 26 10.896 1.713 -4.339 233 HG3 GLU 26 2HG GLU 26 9.724 0.401 -4.220 234 H LEU 27 H LEU 27 6.162 1.702 -6.090 235 HA LEU 27 HA LEU 27 5.573 0.332 -3.708 236 HB2 LEU 27 1HB LEU 27 4.500 2.447 -4.678 237 HB3 LEU 27 2HB LEU 27 3.531 1.377 -5.665 238 HG LEU 27 HG LEU 27 2.426 2.273 -3.578 239 HD11 LEU 27 1HD1 LEU 27 2.604 -0.721 -3.854 240 HD12 LEU 27 2HD1 LEU 27 1.521 0.347 -4.745 241 HD13 LEU 27 3HD1 LEU 27 1.341 0.168 -3.000 242 HD21 LEU 27 3HD2 LEU 27 4.313 0.337 -2.246 243 HD22 LEU 27 1HD2 LEU 27 2.951 1.143 -1.469 244 HD23 LEU 27 2HD2 LEU 27 4.314 2.090 -2.064 245 H HIS 28 H HIS 28 4.639 -0.317 -7.087 246 HA HIS 28 HA HIS 28 3.035 -2.576 -6.462 247 HB2 HIS 28 1HB HIS 28 3.139 -1.117 -8.643 248 HB3 HIS 28 2HB HIS 28 4.380 -2.269 -9.126 249 HD1 HIS 28 HD1 HIS 28 3.300 -4.939 -8.440 250 HD2 HIS 28 HD2 HIS 28 0.836 -1.869 -9.766 251 HE1 HIS 28 HE1 HIS 28 1.185 -6.037 -9.260 252 H GLN 29 H GLN 29 6.421 -2.160 -7.323 253 HA GLN 29 HA GLN 29 7.113 -4.889 -7.502 254 HB2 GLN 29 1HB GLN 29 8.588 -3.083 -8.287 255 HB3 GLN 29 2HB GLN 29 8.793 -2.521 -6.635 256 HG2 GLN 29 1HG GLN 29 10.726 -3.778 -7.392 257 HG3 GLN 29 2HG GLN 29 9.923 -4.594 -6.052 258 HE21 GLN 29 1HE2 GLN 29 8.856 -6.521 -6.413 259 HE22 GLN 29 2HE2 GLN 29 9.094 -7.460 -7.852 260 H TYR 30 H TYR 30 7.071 -2.605 -4.822 261 HA TYR 30 HA TYR 30 7.995 -4.339 -2.800 262 HB2 TYR 30 1HB TYR 30 7.740 -1.778 -2.810 263 HB3 TYR 30 2HB TYR 30 6.054 -2.064 -2.411 264 HD1 TYR 30 HD1 TYR 30 9.298 -3.486 -1.192 265 HD2 TYR 30 HD2 TYR 30 5.627 -1.577 -0.205 266 HE1 TYR 30 HE1 TYR 30 9.908 -3.557 1.190 267 HE2 TYR 30 HE2 TYR 30 6.227 -1.640 2.178 268 HH TYR 30 HH TYR 30 9.376 -2.427 3.263 269 H ALA 31 H ALA 31 4.829 -3.668 -4.150 270 HA ALA 31 HA ALA 31 3.233 -4.964 -2.240 271 HB1 ALA 31 3HB ALA 31 2.705 -4.561 -5.185 272 HB2 ALA 31 1HB ALA 31 2.359 -3.398 -3.905 273 HB3 ALA 31 2HB ALA 31 1.497 -4.937 -3.955 274 H GLN 32 H GLN 32 4.373 -6.124 -5.410 275 HA GLN 32 HA GLN 32 3.315 -8.717 -5.164 276 HB2 GLN 32 1HB GLN 32 3.973 -7.816 -7.323 277 HB3 GLN 32 2HB GLN 32 5.650 -7.719 -6.808 278 HG2 GLN 32 1HG GLN 32 5.742 -10.152 -6.638 279 HG3 GLN 32 2HG GLN 32 4.058 -10.253 -7.149 280 HE21 GLN 32 1HE2 GLN 32 6.270 -7.928 -8.486 281 HE22 GLN 32 2HE2 GLN 32 6.390 -8.640 -10.056 282 H ARG 33 H ARG 33 6.421 -7.360 -4.220 283 HA ARG 33 HA ARG 33 7.707 -9.802 -3.635 284 HB2 ARG 33 1HB ARG 33 8.927 -7.701 -3.975 285 HB3 ARG 33 2HB ARG 33 8.203 -7.036 -2.517 286 HG2 ARG 33 1HG ARG 33 9.393 -8.564 -1.135 287 HG3 ARG 33 2HG ARG 33 9.952 -9.482 -2.534 288 HD2 ARG 33 1HD ARG 33 11.252 -7.561 -3.284 289 HD3 ARG 33 2HD ARG 33 10.665 -6.619 -1.915 290 HE ARG 33 HE ARG 33 11.816 -8.350 -0.499 291 HH11 ARG 33 1HH1 ARG 33 12.892 -7.611 -3.761 292 HH12 ARG 33 2HH1 ARG 33 14.534 -8.103 -3.456 293 HH21 ARG 33 1HH2 ARG 33 13.996 -8.952 -0.102 294 HH22 ARG 33 2HH2 ARG 33 15.155 -8.851 -1.390 295 H LEU 34 H LEU 34 5.647 -7.675 -1.722 296 HA LEU 34 HA LEU 34 6.111 -9.205 0.684 297 HB2 LEU 34 1HB LEU 34 4.276 -6.894 0.085 298 HB3 LEU 34 2HB LEU 34 4.395 -7.663 1.655 299 HG LEU 34 HG LEU 34 6.611 -6.190 0.225 300 HD11 LEU 34 1HD1 LEU 34 5.086 -5.507 2.736 301 HD12 LEU 34 2HD1 LEU 34 4.860 -4.746 1.162 302 HD13 LEU 34 3HD1 LEU 34 6.393 -4.570 2.014 303 HD21 LEU 34 3HD2 LEU 34 7.900 -6.537 2.272 304 HD22 LEU 34 1HD2 LEU 34 7.488 -8.071 1.506 305 HD23 LEU 34 2HD2 LEU 34 6.598 -7.529 2.929 306 H GLY 35 H GLY 35 3.726 -9.088 -1.866 307 HA2 GLY 35 1HA GLY 35 2.583 -11.235 -2.219 308 HA3 GLY 35 2HA GLY 35 2.335 -11.301 -0.480 309 H LEU 36 H LEU 36 1.843 -8.552 -2.670 310 HA LEU 36 HA LEU 36 -0.909 -8.398 -1.684 311 HB2 LEU 36 1HB LEU 36 0.742 -6.385 -3.202 312 HB3 LEU 36 2HB LEU 36 -0.923 -6.148 -2.711 313 HG LEU 36 HG LEU 36 1.453 -6.457 -0.880 314 HD11 LEU 36 1HD1 LEU 36 -0.410 -4.158 -1.476 315 HD12 LEU 36 2HD1 LEU 36 1.300 -4.268 -1.896 316 HD13 LEU 36 3HD1 LEU 36 0.813 -4.166 -0.205 317 HD21 LEU 36 3HD2 LEU 36 -0.480 -7.590 0.067 318 HD22 LEU 36 1HD2 LEU 36 -1.480 -6.165 -0.221 319 HD23 LEU 36 2HD2 LEU 36 -0.153 -6.093 0.939 320 H ASN 37 H ASN 37 -2.385 -7.321 -3.332 321 HA ASN 37 HA ASN 37 -2.057 -8.326 -6.038 322 HB2 ASN 37 1HB ASN 37 -4.312 -9.215 -6.171 323 HB3 ASN 37 2HB ASN 37 -3.455 -10.021 -4.865 324 HD21 ASN 37 1HD2 ASN 37 -3.722 -8.051 -2.868 325 HD22 ASN 37 2HD2 ASN 37 -5.390 -7.990 -2.421 326 H GLU 38 H GLU 38 -3.400 -7.175 -7.559 327 HA GLU 38 HA GLU 38 -3.101 -4.452 -7.230 328 HB2 GLU 38 1HB GLU 38 -4.965 -5.845 -9.156 329 HB3 GLU 38 2HB GLU 38 -4.394 -4.187 -9.295 330 HG2 GLU 38 1HG GLU 38 -3.055 -5.405 -10.769 331 HG3 GLU 38 2HG GLU 38 -2.046 -5.162 -9.342 332 H GLU 39 H GLU 39 -5.957 -6.405 -6.593 333 HA GLU 39 HA GLU 39 -7.866 -4.413 -6.258 334 HB2 GLU 39 1HB GLU 39 -8.429 -6.773 -6.208 335 HB3 GLU 39 2HB GLU 39 -7.484 -6.997 -4.742 336 HG2 GLU 39 1HG GLU 39 -9.770 -6.948 -4.116 337 HG3 GLU 39 2HG GLU 39 -9.047 -5.431 -3.590 338 H ALA 40 H ALA 40 -5.749 -5.869 -3.806 339 HA ALA 40 HA ALA 40 -6.522 -4.135 -1.704 340 HB1 ALA 40 3HB ALA 40 -4.783 -5.125 -0.432 341 HB2 ALA 40 1HB ALA 40 -3.909 -5.613 -1.887 342 HB3 ALA 40 2HB ALA 40 -5.427 -6.398 -1.470 343 H ILE 41 H ILE 41 -3.970 -4.073 -4.101 344 HA ILE 41 HA ILE 41 -2.366 -2.066 -3.021 345 HB ILE 41 HB ILE 41 -2.872 -2.668 -5.942 346 HG12 ILE 41 1HG1 ILE 41 -0.702 -3.633 -4.065 347 HG13 ILE 41 2HG1 ILE 41 -2.059 -4.596 -4.649 348 HG21 ILE 41 1HG2 ILE 41 -0.611 -1.155 -4.633 349 HG22 ILE 41 2HG2 ILE 41 -1.874 -0.468 -5.654 350 HG23 ILE 41 3HG2 ILE 41 -0.702 -1.591 -6.341 351 HD11 ILE 41 3HD1 ILE 41 0.156 -3.439 -6.322 352 HD12 ILE 41 1HD1 ILE 41 -1.221 -4.350 -6.939 353 HD13 ILE 41 2HD1 ILE 41 -0.054 -5.132 -5.875 354 H ARG 42 H ARG 42 -4.994 -1.820 -5.408 355 HA ARG 42 HA ARG 42 -4.922 1.002 -5.538 356 HB2 ARG 42 1HB ARG 42 -5.790 -0.352 -7.354 357 HB3 ARG 42 2HB ARG 42 -7.077 -0.905 -6.311 358 HG2 ARG 42 1HG ARG 42 -8.026 1.284 -6.205 359 HG3 ARG 42 2HG ARG 42 -6.683 1.949 -7.136 360 HD2 ARG 42 1HD ARG 42 -7.327 0.622 -9.057 361 HD3 ARG 42 2HD ARG 42 -8.618 -0.141 -8.126 362 HE ARG 42 HE ARG 42 -8.927 2.671 -8.086 363 HH11 ARG 42 1HH1 ARG 42 -9.204 -0.043 -10.291 364 HH12 ARG 42 2HH1 ARG 42 -10.510 0.671 -11.200 365 HH21 ARG 42 1HH2 ARG 42 -10.615 3.605 -9.272 366 HH22 ARG 42 2HH2 ARG 42 -11.309 2.756 -10.622 367 H GLN 43 H GLN 43 -6.721 -1.279 -3.577 368 HA GLN 43 HA GLN 43 -8.681 0.412 -2.540 369 HB2 GLN 43 1HB GLN 43 -8.687 -2.014 -2.157 370 HB3 GLN 43 2HB GLN 43 -7.250 -1.871 -1.145 371 HG2 GLN 43 1HG GLN 43 -8.535 -0.463 0.419 372 HG3 GLN 43 2HG GLN 43 -9.969 -0.704 -0.573 373 HE21 GLN 43 1HE2 GLN 43 -11.023 -2.664 -0.536 374 HE22 GLN 43 2HE2 GLN 43 -10.677 -3.894 0.639 375 H PHE 44 H PHE 44 -5.358 -0.132 -1.528 376 HA PHE 44 HA PHE 44 -5.504 1.218 0.928 377 HB2 PHE 44 1HB PHE 44 -3.726 -0.421 0.111 378 HB3 PHE 44 2HB PHE 44 -3.018 0.941 -0.751 379 HD1 PHE 44 HD1 PHE 44 -3.900 -0.353 2.581 380 HD2 PHE 44 HD2 PHE 44 -1.691 2.541 0.380 381 HE1 PHE 44 HE1 PHE 44 -2.702 0.281 4.630 382 HE2 PHE 44 HE2 PHE 44 -0.485 3.182 2.428 383 HZ PHE 44 HZ PHE 44 -0.995 2.045 4.557 384 H PHE 45 H PHE 45 -5.139 2.380 -2.323 385 HA PHE 45 HA PHE 45 -4.149 4.961 -1.431 386 HB2 PHE 45 1HB PHE 45 -4.749 3.863 -4.175 387 HB3 PHE 45 2HB PHE 45 -4.256 5.529 -3.894 388 HD1 PHE 45 HD1 PHE 45 -2.088 5.695 -2.307 389 HD2 PHE 45 HD2 PHE 45 -3.106 2.405 -4.807 390 HE1 PHE 45 HE1 PHE 45 0.275 5.013 -2.364 391 HE2 PHE 45 HE2 PHE 45 -0.746 1.715 -4.863 392 HZ PHE 45 HZ PHE 45 0.947 3.018 -3.642 393 H GLU 46 H GLU 46 -7.082 3.681 -3.000 394 HA GLU 46 HA GLU 46 -8.230 6.329 -3.097 395 HB2 GLU 46 1HB GLU 46 -9.206 3.627 -3.962 396 HB3 GLU 46 2HB GLU 46 -10.249 5.044 -3.998 397 HG2 GLU 46 1HG GLU 46 -8.532 6.154 -5.438 398 HG3 GLU 46 2HG GLU 46 -7.699 4.600 -5.520 399 H GLU 47 H GLU 47 -8.517 3.537 -1.008 400 HA GLU 47 HA GLU 47 -10.923 4.654 0.214 401 HB2 GLU 47 1HB GLU 47 -10.664 2.189 -0.275 402 HB3 GLU 47 2HB GLU 47 -9.446 2.138 0.992 403 HG2 GLU 47 1HG GLU 47 -11.066 2.770 2.646 404 HG3 GLU 47 2HG GLU 47 -12.296 3.008 1.405 405 H PHE 48 H PHE 48 -7.738 5.186 0.428 406 HA PHE 48 HA PHE 48 -7.326 5.297 3.268 407 HB2 PHE 48 1HB PHE 48 -5.663 5.198 1.164 408 HB3 PHE 48 2HB PHE 48 -5.719 6.944 1.381 409 HD1 PHE 48 HD1 PHE 48 -5.481 3.985 3.650 410 HD2 PHE 48 HD2 PHE 48 -3.888 7.762 2.495 411 HE1 PHE 48 HE1 PHE 48 -3.778 3.808 5.418 412 HE2 PHE 48 HE2 PHE 48 -2.185 7.589 4.259 413 HZ PHE 48 HZ PHE 48 -2.129 5.609 5.724 414 H GLU 49 H GLU 49 -6.123 7.855 3.522 415 HA GLU 49 HA GLU 49 -8.339 9.603 3.844 416 HB2 GLU 49 1HB GLU 49 -6.674 11.246 4.525 417 HB3 GLU 49 2HB GLU 49 -6.323 9.687 5.261 418 HG2 GLU 49 1HG GLU 49 -4.641 9.285 3.475 419 HG3 GLU 49 2HG GLU 49 -4.931 10.923 2.893 420 H GLN 50 H GLN 50 -6.567 8.704 1.164 421 HA GLN 50 HA GLN 50 -6.542 11.247 -0.205 422 HB2 GLN 50 1HB GLN 50 -5.882 8.465 -1.187 423 HB3 GLN 50 2HB GLN 50 -5.604 9.952 -2.083 424 HG2 GLN 50 1HG GLN 50 -4.025 10.698 -0.397 425 HG3 GLN 50 2HG GLN 50 -4.335 9.247 0.554 426 HE21 GLN 50 1HE2 GLN 50 -4.515 7.556 -1.820 427 HE22 GLN 50 2HE2 GLN 50 -2.890 7.336 -2.369 428 H ARG 51 H ARG 51 -9.106 9.906 0.623 429 HA ARG 51 HA ARG 51 -10.497 9.027 -1.671 430 HB2 ARG 51 1HB ARG 51 -11.457 10.265 0.908 431 HB3 ARG 51 2HB ARG 51 -12.540 9.615 -0.317 432 HG2 ARG 51 1HG ARG 51 -11.775 7.427 0.031 433 HG3 ARG 51 2HG ARG 51 -10.359 7.987 0.921 434 HD2 ARG 51 1HD ARG 51 -11.754 8.746 2.735 435 HD3 ARG 51 2HD ARG 51 -13.209 8.286 1.849 436 HE ARG 51 HE ARG 51 -11.256 6.198 2.432 437 HH11 ARG 51 1HH1 ARG 51 -14.290 7.732 3.239 438 HH12 ARG 51 2HH1 ARG 51 -14.900 6.368 4.127 439 HH21 ARG 51 1HH2 ARG 51 -12.032 4.398 3.599 440 HH22 ARG 51 2HH2 ARG 51 -13.614 4.452 4.318 441 H LYS 52 H LYS 52 -10.893 10.190 -3.436 442 HA LYS 52 HA LYS 52 -11.688 12.994 -3.132 443 HB2 LYS 52 1HB LYS 52 -9.699 12.007 -5.192 444 HB3 LYS 52 2HB LYS 52 -10.309 13.650 -5.048 445 HG2 LYS 52 1HG LYS 52 -9.237 13.868 -2.872 446 HG3 LYS 52 2HG LYS 52 -8.642 12.212 -2.991 447 HD2 LYS 52 1HD LYS 52 -7.450 12.885 -5.086 448 HD3 LYS 52 2HD LYS 52 -7.922 14.550 -4.748 449 HE2 LYS 52 1HE LYS 52 -6.239 12.785 -2.973 450 HE3 LYS 52 2HE LYS 52 -5.649 14.103 -3.983 451 HZ1 LYS 52 3HZ LYS 52 -7.133 15.596 -2.660 452 HZ2 LYS 52 1HZ LYS 52 -5.841 14.922 -1.789 453 HZ3 LYS 52 2HZ LYS 52 -7.402 14.295 -1.596 Start of MODEL 9 1 H1 MET 1 1H MET 1 -11.179 -14.290 1.176 2 H2 MET 1 2H MET 1 -12.054 -14.783 2.539 3 H3 MET 1 3H MET 1 -11.612 -15.918 1.364 4 HA MET 1 HA MET 1 -10.236 -16.066 3.348 5 HB2 MET 1 1HB MET 1 -9.282 -16.722 1.183 6 HB3 MET 1 2HB MET 1 -8.804 -15.059 0.874 7 HG2 MET 1 1HG MET 1 -7.308 -15.159 2.831 8 HG3 MET 1 2HG MET 1 -7.745 -16.853 3.046 9 HE1 MET 1 3HE MET 1 -4.749 -15.694 2.731 10 HE2 MET 1 1HE MET 1 -4.037 -16.917 1.678 11 HE3 MET 1 2HE MET 1 -5.095 -17.403 3.004 12 H LYS 2 H LYS 2 -8.917 -13.301 1.577 13 HA LYS 2 HA LYS 2 -9.097 -11.588 3.906 14 HB2 LYS 2 1HB LYS 2 -6.497 -12.660 2.834 15 HB3 LYS 2 2HB LYS 2 -6.563 -11.102 3.643 16 HG2 LYS 2 1HG LYS 2 -7.243 -12.085 5.683 17 HG3 LYS 2 2HG LYS 2 -7.578 -13.632 4.905 18 HD2 LYS 2 1HD LYS 2 -5.245 -14.009 4.513 19 HD3 LYS 2 2HD LYS 2 -4.839 -12.385 5.069 20 HE2 LYS 2 1HE LYS 2 -4.398 -14.188 6.740 21 HE3 LYS 2 2HE LYS 2 -5.476 -12.915 7.309 22 HZ1 LYS 2 3HZ LYS 2 -6.228 -15.169 7.899 23 HZ2 LYS 2 1HZ LYS 2 -6.384 -15.543 6.252 24 HZ3 LYS 2 2HZ LYS 2 -7.356 -14.336 6.945 25 H GLN 3 H GLN 3 -8.124 -9.390 3.352 26 HA GLN 3 HA GLN 3 -9.095 -8.690 0.698 27 HB2 GLN 3 1HB GLN 3 -8.169 -6.967 3.010 28 HB3 GLN 3 2HB GLN 3 -8.781 -6.343 1.489 29 HG2 GLN 3 1HG GLN 3 -10.570 -6.188 2.981 30 HG3 GLN 3 2HG GLN 3 -10.921 -7.609 2.000 31 HE21 GLN 3 1HE2 GLN 3 -11.012 -9.602 2.958 32 HE22 GLN 3 2HE2 GLN 3 -10.879 -9.848 4.675 33 H TRP 4 H TRP 4 -6.239 -8.111 2.711 34 HA TRP 4 HA TRP 4 -4.527 -8.824 0.514 35 HB2 TRP 4 1HB TRP 4 -3.079 -6.749 1.120 36 HB3 TRP 4 2HB TRP 4 -4.465 -6.507 0.064 37 HD1 TRP 4 HD1 TRP 4 -3.281 -5.790 3.631 38 HE1 TRP 4 HE1 TRP 4 -4.731 -3.903 4.634 39 HE3 TRP 4 HE3 TRP 4 -6.739 -5.394 -0.082 40 HZ2 TRP 4 HZ2 TRP 4 -7.032 -2.452 3.928 41 HZ3 TRP 4 HZ3 TRP 4 -8.539 -3.730 0.150 42 HH2 TRP 4 HH2 TRP 4 -8.682 -2.291 2.114 43 H SER 5 H SER 5 -2.251 -9.113 1.476 44 HA SER 5 HA SER 5 -2.235 -10.482 3.877 45 HB2 SER 5 1HB SER 5 0.012 -8.824 2.701 46 HB3 SER 5 2HB SER 5 0.199 -10.083 3.919 47 HG SER 5 HG SER 5 -0.050 -10.306 1.208 48 H GLU 6 H GLU 6 -2.682 -9.790 5.904 49 HA GLU 6 HA GLU 6 -3.351 -7.065 6.319 50 HB2 GLU 6 1HB GLU 6 -4.353 -9.097 7.472 51 HB3 GLU 6 2HB GLU 6 -2.924 -9.104 8.498 52 HG2 GLU 6 1HG GLU 6 -3.472 -6.993 9.425 53 HG3 GLU 6 2HG GLU 6 -4.728 -6.718 8.219 54 H ASN 7 H ASN 7 -0.451 -8.838 6.666 55 HA ASN 7 HA ASN 7 0.986 -7.103 8.368 56 HB2 ASN 7 1HB ASN 7 2.079 -8.650 6.005 57 HB3 ASN 7 2HB ASN 7 2.988 -8.070 7.395 58 HD21 ASN 7 1HD2 ASN 7 2.653 -10.748 6.283 59 HD22 ASN 7 2HD2 ASN 7 2.060 -11.725 7.587 60 H VAL 8 H VAL 8 -0.188 -6.821 5.131 61 HA VAL 8 HA VAL 8 1.755 -4.867 4.258 62 HB VAL 8 HB VAL 8 -0.872 -5.824 3.110 63 HG11 VAL 8 1HG1 VAL 8 1.073 -3.980 1.756 64 HG12 VAL 8 2HG1 VAL 8 -0.404 -3.433 2.552 65 HG13 VAL 8 3HG1 VAL 8 -0.496 -4.516 1.165 66 HG21 VAL 8 3HG2 VAL 8 0.550 -6.831 1.388 67 HG22 VAL 8 1HG2 VAL 8 0.940 -7.437 2.998 68 HG23 VAL 8 2HG2 VAL 8 1.982 -6.237 2.231 69 H GLU 9 H GLU 9 -1.528 -4.937 5.466 70 HA GLU 9 HA GLU 9 -2.403 -2.364 5.262 71 HB2 GLU 9 1HB GLU 9 -3.680 -4.229 6.245 72 HB3 GLU 9 2HB GLU 9 -2.623 -4.225 7.647 73 HG2 GLU 9 1HG GLU 9 -4.646 -3.156 8.262 74 HG3 GLU 9 2HG GLU 9 -3.405 -1.910 8.136 75 H GLU 10 H GLU 10 -0.505 -3.681 7.942 76 HA GLU 10 HA GLU 10 -0.073 -1.227 9.258 77 HB2 GLU 10 1HB GLU 10 0.114 -3.203 10.521 78 HB3 GLU 10 2HB GLU 10 1.233 -3.929 9.376 79 HG2 GLU 10 1HG GLU 10 2.949 -2.307 10.046 80 HG3 GLU 10 2HG GLU 10 1.821 -1.620 11.222 81 H LYS 11 H LYS 11 2.155 -3.193 7.286 82 HA LYS 11 HA LYS 11 4.347 -1.468 7.656 83 HB2 LYS 11 1HB LYS 11 4.560 -3.839 7.076 84 HB3 LYS 11 2HB LYS 11 3.869 -3.520 5.492 85 HG2 LYS 11 1HG LYS 11 5.788 -2.038 4.996 86 HG3 LYS 11 2HG LYS 11 6.493 -2.487 6.550 87 HD2 LYS 11 1HD LYS 11 5.825 -4.395 4.308 88 HD3 LYS 11 2HD LYS 11 7.437 -3.791 4.693 89 HE2 LYS 11 1HE LYS 11 5.725 -5.331 6.635 90 HE3 LYS 11 2HE LYS 11 6.912 -6.084 5.573 91 HZ1 LYS 11 3HZ LYS 11 7.700 -5.580 7.871 92 HZ2 LYS 11 1HZ LYS 11 7.590 -3.930 7.499 93 HZ3 LYS 11 2HZ LYS 11 8.662 -4.927 6.634 94 H LEU 12 H LEU 12 2.015 -1.756 5.003 95 HA LEU 12 HA LEU 12 3.413 -0.013 3.247 96 HB2 LEU 12 1HB LEU 12 1.762 -1.742 2.581 97 HB3 LEU 12 2HB LEU 12 0.485 -0.739 3.229 98 HG LEU 12 HG LEU 12 1.087 1.008 1.572 99 HD11 LEU 12 1HD1 LEU 12 3.420 0.377 1.223 100 HD12 LEU 12 2HD1 LEU 12 2.539 0.374 -0.304 101 HD13 LEU 12 3HD1 LEU 12 2.907 -1.147 0.503 102 HD21 LEU 12 3HD2 LEU 12 -0.718 -0.598 1.151 103 HD22 LEU 12 1HD2 LEU 12 0.443 -1.692 0.398 104 HD23 LEU 12 2HD2 LEU 12 0.101 -0.126 -0.341 105 H LYS 13 H LYS 13 0.773 0.441 5.546 106 HA LYS 13 HA LYS 13 0.080 3.076 5.094 107 HB2 LYS 13 1HB LYS 13 -1.085 1.780 6.741 108 HB3 LYS 13 2HB LYS 13 0.374 1.540 7.677 109 HG2 LYS 13 1HG LYS 13 0.387 4.007 8.053 110 HG3 LYS 13 2HG LYS 13 -1.220 4.061 7.339 111 HD2 LYS 13 1HD LYS 13 -2.078 2.582 9.033 112 HD3 LYS 13 2HD LYS 13 -0.461 2.332 9.695 113 HE2 LYS 13 1HE LYS 13 -1.657 3.878 11.105 114 HE3 LYS 13 2HE LYS 13 -0.377 4.748 10.267 115 HZ1 LYS 13 3HZ LYS 13 -2.081 5.496 8.651 116 HZ2 LYS 13 1HZ LYS 13 -2.356 6.046 10.230 117 HZ3 LYS 13 2HZ LYS 13 -3.271 4.764 9.611 118 H GLU 14 H GLU 14 2.770 1.788 6.972 119 HA GLU 14 HA GLU 14 3.673 4.417 7.688 120 HB2 GLU 14 1HB GLU 14 5.089 1.791 8.100 121 HB3 GLU 14 2HB GLU 14 5.396 3.307 8.940 122 HG2 GLU 14 1HG GLU 14 2.962 3.140 9.716 123 HG3 GLU 14 2HG GLU 14 3.059 1.459 9.197 124 H PHE 15 H PHE 15 4.384 2.110 5.191 125 HA PHE 15 HA PHE 15 6.972 3.194 4.598 126 HB2 PHE 15 1HB PHE 15 6.337 0.822 4.211 127 HB3 PHE 15 2HB PHE 15 5.239 1.356 2.948 128 HD1 PHE 15 HD1 PHE 15 8.797 1.919 3.915 129 HD2 PHE 15 HD2 PHE 15 6.021 1.074 0.803 130 HE1 PHE 15 HE1 PHE 15 10.648 1.801 2.301 131 HE2 PHE 15 HE2 PHE 15 7.868 0.957 -0.813 132 HZ PHE 15 HZ PHE 15 10.185 1.322 -0.066 133 H VAL 16 H VAL 16 3.705 3.839 3.611 134 HA VAL 16 HA VAL 16 4.615 5.560 1.439 135 HB VAL 16 HB VAL 16 1.809 5.045 2.459 136 HG11 VAL 16 1HG1 VAL 16 2.003 7.247 1.416 137 HG12 VAL 16 2HG1 VAL 16 1.062 6.148 0.406 138 HG13 VAL 16 3HG1 VAL 16 2.737 6.513 -0.011 139 HG21 VAL 16 3HG2 VAL 16 3.288 3.993 0.054 140 HG22 VAL 16 1HG2 VAL 16 1.564 3.768 0.359 141 HG23 VAL 16 2HG2 VAL 16 2.753 3.071 1.458 142 H LYS 17 H LYS 17 2.540 5.964 4.328 143 HA LYS 17 HA LYS 17 2.594 8.804 4.139 144 HB2 LYS 17 1HB LYS 17 0.683 7.603 5.065 145 HB3 LYS 17 2HB LYS 17 1.673 7.015 6.390 146 HG2 LYS 17 1HG LYS 17 0.304 8.825 7.161 147 HG3 LYS 17 2HG LYS 17 1.992 9.343 7.142 148 HD2 LYS 17 1HD LYS 17 1.608 10.495 5.014 149 HD3 LYS 17 2HD LYS 17 -0.075 9.966 5.028 150 HE2 LYS 17 1HE LYS 17 1.211 11.718 7.121 151 HE3 LYS 17 2HE LYS 17 0.226 12.300 5.783 152 HZ1 LYS 17 3HZ LYS 17 -1.661 11.116 6.652 153 HZ2 LYS 17 1HZ LYS 17 -1.018 12.105 7.869 154 HZ3 LYS 17 2HZ LYS 17 -0.730 10.437 7.891 155 H ARG 18 H ARG 18 4.252 6.483 6.278 156 HA ARG 18 HA ARG 18 5.476 8.699 7.726 157 HB2 ARG 18 1HB ARG 18 5.695 5.723 8.214 158 HB3 ARG 18 2HB ARG 18 6.327 6.984 9.262 159 HG2 ARG 18 1HG ARG 18 4.032 7.780 9.656 160 HG3 ARG 18 2HG ARG 18 3.420 6.461 8.660 161 HD2 ARG 18 1HD ARG 18 3.233 5.762 10.928 162 HD3 ARG 18 2HD ARG 18 4.588 4.871 10.232 163 HE ARG 18 HE ARG 18 5.609 7.194 11.391 164 HH11 ARG 18 1HH1 ARG 18 4.122 4.180 12.387 165 HH12 ARG 18 2HH1 ARG 18 4.771 4.247 13.993 166 HH21 ARG 18 1HH2 ARG 18 6.495 7.266 13.474 167 HH22 ARG 18 2HH2 ARG 18 6.128 5.999 14.618 168 H HIS 19 H HIS 19 6.185 7.321 4.910 169 HA HIS 19 HA HIS 19 9.081 7.525 5.362 170 HB2 HIS 19 1HB HIS 19 7.566 5.297 4.084 171 HB3 HIS 19 2HB HIS 19 9.138 5.716 3.420 172 HD1 HIS 19 HD1 HIS 19 7.548 4.395 6.591 173 HD2 HIS 19 HD2 HIS 19 11.292 4.860 4.851 174 HE1 HIS 19 HE1 HIS 19 9.169 3.086 8.029 175 H GLN 20 H GLN 20 9.495 6.753 2.538 176 HA GLN 20 HA GLN 20 9.681 9.412 1.564 177 HB2 GLN 20 1HB GLN 20 10.826 8.427 -0.326 178 HB3 GLN 20 2HB GLN 20 11.388 7.681 1.165 179 HG2 GLN 20 1HG GLN 20 9.954 5.758 0.758 180 HG3 GLN 20 2HG GLN 20 9.356 6.515 -0.713 181 HE21 GLN 20 1HE2 GLN 20 12.032 7.575 -1.375 182 HE22 GLN 20 2HE2 GLN 20 12.924 6.212 -1.976 183 H ARG 21 H ARG 21 7.059 7.455 1.575 184 HA ARG 21 HA ARG 21 5.018 7.579 0.592 185 HB2 ARG 21 1HB ARG 21 5.718 10.067 0.247 186 HB3 ARG 21 2HB ARG 21 5.968 9.587 -1.424 187 HG2 ARG 21 1HG ARG 21 3.608 8.739 -1.432 188 HG3 ARG 21 2HG ARG 21 3.406 9.501 0.146 189 HD2 ARG 21 1HD ARG 21 2.591 11.056 -1.424 190 HD3 ARG 21 2HD ARG 21 4.183 11.649 -0.951 191 HE ARG 21 HE ARG 21 4.236 9.971 -3.283 192 HH11 ARG 21 1HH1 ARG 21 3.858 13.270 -2.132 193 HH12 ARG 21 2HH1 ARG 21 4.166 13.969 -3.696 194 HH21 ARG 21 1HH2 ARG 21 4.651 10.887 -5.301 195 HH22 ARG 21 2HH2 ARG 21 4.626 12.613 -5.505 196 H ILE 22 H ILE 22 7.714 7.714 -1.662 197 HA ILE 22 HA ILE 22 8.430 6.451 -3.350 198 HB ILE 22 HB ILE 22 8.309 4.678 -1.612 199 HG12 ILE 22 1HG1 ILE 22 7.822 3.773 -4.457 200 HG13 ILE 22 2HG1 ILE 22 9.371 4.278 -3.788 201 HG21 ILE 22 1HG2 ILE 22 6.592 2.926 -1.824 202 HG22 ILE 22 2HG2 ILE 22 5.721 3.948 -2.968 203 HG23 ILE 22 3HG2 ILE 22 5.926 4.472 -1.299 204 HD11 ILE 22 3HD1 ILE 22 9.194 1.858 -3.939 205 HD12 ILE 22 1HD1 ILE 22 7.766 1.894 -2.904 206 HD13 ILE 22 2HD1 ILE 22 9.331 2.388 -2.263 207 H THR 23 H THR 23 8.106 6.027 -5.445 208 HA THR 23 HA THR 23 5.600 6.675 -6.625 209 HB THR 23 HB THR 23 6.780 5.856 -8.748 210 HG1 THR 23 HG1 THR 23 9.204 5.860 -8.248 211 HG21 THR 23 3HG2 THR 23 8.088 8.015 -7.085 212 HG22 THR 23 1HG2 THR 23 6.673 8.217 -8.121 213 HG23 THR 23 2HG2 THR 23 8.240 7.830 -8.833 214 H GLN 24 H GLN 24 4.272 5.288 -7.927 215 HA GLN 24 HA GLN 24 3.691 2.895 -6.505 216 HB2 GLN 24 1HB GLN 24 1.990 4.391 -7.568 217 HB3 GLN 24 2HB GLN 24 2.511 3.792 -9.136 218 HG2 GLN 24 1HG GLN 24 1.798 1.569 -8.591 219 HG3 GLN 24 2HG GLN 24 1.436 2.047 -6.934 220 HE21 GLN 24 1HE2 GLN 24 0.298 4.612 -7.813 221 HE22 GLN 24 2HE2 GLN 24 -1.260 4.229 -8.454 222 H GLU 25 H GLU 25 5.464 3.558 -9.432 223 HA GLU 25 HA GLU 25 5.429 0.987 -10.570 224 HB2 GLU 25 1HB GLU 25 6.304 2.997 -11.723 225 HB3 GLU 25 2HB GLU 25 7.672 3.019 -10.620 226 HG2 GLU 25 1HG GLU 25 8.301 2.059 -12.747 227 HG3 GLU 25 2HG GLU 25 8.398 0.847 -11.470 228 H GLU 26 H GLU 26 7.877 2.482 -8.461 229 HA GLU 26 HA GLU 26 9.350 0.131 -7.998 230 HB2 GLU 26 1HB GLU 26 9.069 2.661 -6.379 231 HB3 GLU 26 2HB GLU 26 10.215 1.386 -5.994 232 HG2 GLU 26 1HG GLU 26 10.149 2.898 -8.592 233 HG3 GLU 26 2HG GLU 26 11.209 3.274 -7.233 234 H LEU 27 H LEU 27 6.531 1.508 -6.481 235 HA LEU 27 HA LEU 27 6.554 -0.080 -4.144 236 HB2 LEU 27 1HB LEU 27 5.325 2.050 -4.415 237 HB3 LEU 27 2HB LEU 27 4.232 1.259 -5.527 238 HG LEU 27 HG LEU 27 4.475 0.114 -2.784 239 HD11 LEU 27 1HD1 LEU 27 4.292 2.335 -2.116 240 HD12 LEU 27 2HD1 LEU 27 2.616 1.784 -2.168 241 HD13 LEU 27 3HD1 LEU 27 3.268 2.761 -3.482 242 HD21 LEU 27 3HD2 LEU 27 2.088 -0.298 -3.129 243 HD22 LEU 27 1HD2 LEU 27 3.033 -0.940 -4.474 244 HD23 LEU 27 2HD2 LEU 27 2.149 0.575 -4.661 245 H HIS 28 H HIS 28 5.310 -0.610 -7.392 246 HA HIS 28 HA HIS 28 3.677 -2.831 -6.680 247 HB2 HIS 28 1HB HIS 28 3.401 -1.522 -8.798 248 HB3 HIS 28 2HB HIS 28 4.880 -2.275 -9.399 249 HD1 HIS 28 HD1 HIS 28 4.776 -4.900 -9.793 250 HD2 HIS 28 HD2 HIS 28 1.145 -3.073 -8.940 251 HE1 HIS 28 HE1 HIS 28 2.998 -6.629 -10.215 252 H GLN 29 H GLN 29 7.019 -2.527 -7.809 253 HA GLN 29 HA GLN 29 7.677 -5.258 -7.909 254 HB2 GLN 29 1HB GLN 29 9.066 -3.140 -8.538 255 HB3 GLN 29 2HB GLN 29 9.542 -3.134 -6.851 256 HG2 GLN 29 1HG GLN 29 9.991 -5.450 -8.719 257 HG3 GLN 29 2HG GLN 29 11.174 -4.185 -8.407 258 HE21 GLN 29 1HE2 GLN 29 9.708 -7.062 -7.267 259 HE22 GLN 29 2HE2 GLN 29 10.668 -7.248 -5.833 260 H TYR 30 H TYR 30 7.679 -2.901 -5.307 261 HA TYR 30 HA TYR 30 8.550 -4.637 -3.247 262 HB2 TYR 30 1HB TYR 30 8.629 -2.114 -3.247 263 HB3 TYR 30 2HB TYR 30 6.894 -2.122 -2.976 264 HD1 TYR 30 HD1 TYR 30 9.827 -3.906 -1.499 265 HD2 TYR 30 HD2 TYR 30 6.321 -1.603 -0.811 266 HE1 TYR 30 HE1 TYR 30 10.243 -4.012 0.919 267 HE2 TYR 30 HE2 TYR 30 6.727 -1.701 1.614 268 HH TYR 30 HH TYR 30 9.635 -2.632 2.954 269 H ALA 31 H ALA 31 5.566 -4.366 -4.909 270 HA ALA 31 HA ALA 31 3.845 -5.124 -2.757 271 HB1 ALA 31 3HB ALA 31 2.155 -5.486 -4.502 272 HB2 ALA 31 1HB ALA 31 3.399 -5.309 -5.741 273 HB3 ALA 31 2HB ALA 31 2.975 -3.938 -4.715 274 H GLN 32 H GLN 32 5.559 -6.798 -5.326 275 HA GLN 32 HA GLN 32 4.494 -9.378 -4.757 276 HB2 GLN 32 1HB GLN 32 7.129 -8.710 -6.084 277 HB3 GLN 32 2HB GLN 32 6.257 -10.232 -6.190 278 HG2 GLN 32 1HG GLN 32 5.423 -7.577 -7.331 279 HG3 GLN 32 2HG GLN 32 5.938 -9.008 -8.218 280 HE21 GLN 32 1HE2 GLN 32 3.462 -7.460 -8.340 281 HE22 GLN 32 2HE2 GLN 32 2.175 -8.576 -8.042 282 H ARG 33 H ARG 33 7.089 -7.462 -3.513 283 HA ARG 33 HA ARG 33 8.490 -9.524 -2.152 284 HB2 ARG 33 1HB ARG 33 9.522 -7.380 -2.748 285 HB3 ARG 33 2HB ARG 33 8.428 -6.536 -1.671 286 HG2 ARG 33 1HG ARG 33 10.253 -8.642 -0.592 287 HG3 ARG 33 2HG ARG 33 10.855 -7.017 -0.921 288 HD2 ARG 33 1HD ARG 33 9.162 -6.077 0.548 289 HD3 ARG 33 2HD ARG 33 8.507 -7.685 0.846 290 HE ARG 33 HE ARG 33 11.089 -6.662 1.812 291 HH11 ARG 33 1HH1 ARG 33 8.599 -9.123 1.816 292 HH12 ARG 33 2HH1 ARG 33 9.099 -9.818 3.331 293 HH21 ARG 33 1HH2 ARG 33 11.747 -7.550 3.819 294 HH22 ARG 33 2HH2 ARG 33 10.903 -8.930 4.457 295 H LEU 34 H LEU 34 5.729 -7.519 -1.302 296 HA LEU 34 HA LEU 34 5.849 -8.362 1.478 297 HB2 LEU 34 1HB LEU 34 3.925 -6.552 0.028 298 HB3 LEU 34 2HB LEU 34 3.901 -6.870 1.745 299 HG LEU 34 HG LEU 34 6.001 -5.387 0.188 300 HD11 LEU 34 1HD1 LEU 34 4.168 -4.590 2.447 301 HD12 LEU 34 2HD1 LEU 34 4.012 -4.109 0.756 302 HD13 LEU 34 3HD1 LEU 34 5.392 -3.564 1.705 303 HD21 LEU 34 3HD2 LEU 34 7.174 -6.765 1.766 304 HD22 LEU 34 1HD2 LEU 34 6.055 -6.317 3.056 305 HD23 LEU 34 2HD2 LEU 34 7.145 -5.109 2.375 306 H GLY 35 H GLY 35 4.195 -9.207 -1.430 307 HA2 GLY 35 1HA GLY 35 2.748 -11.069 -1.673 308 HA3 GLY 35 2HA GLY 35 2.440 -11.024 0.064 309 H LEU 36 H LEU 36 2.347 -8.382 -2.239 310 HA LEU 36 HA LEU 36 -0.268 -7.616 -1.272 311 HB2 LEU 36 1HB LEU 36 1.967 -6.337 -2.647 312 HB3 LEU 36 2HB LEU 36 0.397 -5.858 -3.262 313 HG LEU 36 HG LEU 36 1.119 -5.716 -0.345 314 HD11 LEU 36 1HD1 LEU 36 1.344 -3.263 -0.767 315 HD12 LEU 36 2HD1 LEU 36 1.343 -3.616 -2.495 316 HD13 LEU 36 3HD1 LEU 36 2.631 -4.240 -1.465 317 HD21 LEU 36 3HD2 LEU 36 -0.793 -4.164 -0.301 318 HD22 LEU 36 1HD2 LEU 36 -1.250 -5.794 -0.797 319 HD23 LEU 36 2HD2 LEU 36 -1.088 -4.517 -2.004 320 H ASN 37 H ASN 37 -2.096 -7.585 -2.406 321 HA ASN 37 HA ASN 37 -2.029 -8.549 -5.171 322 HB2 ASN 37 1HB ASN 37 -4.498 -9.033 -4.785 323 HB3 ASN 37 2HB ASN 37 -3.359 -10.074 -3.950 324 HD21 ASN 37 1HD2 ASN 37 -4.087 -6.799 -2.845 325 HD22 ASN 37 2HD2 ASN 37 -4.984 -7.298 -1.438 326 H GLU 38 H GLU 38 -3.646 -7.561 -6.620 327 HA GLU 38 HA GLU 38 -3.219 -4.792 -6.668 328 HB2 GLU 38 1HB GLU 38 -5.133 -6.497 -8.257 329 HB3 GLU 38 2HB GLU 38 -4.825 -4.797 -8.591 330 HG2 GLU 38 1HG GLU 38 -2.449 -5.322 -8.932 331 HG3 GLU 38 2HG GLU 38 -2.808 -7.029 -8.676 332 H GLU 39 H GLU 39 -5.628 -6.560 -5.031 333 HA GLU 39 HA GLU 39 -7.779 -4.851 -4.840 334 HB2 GLU 39 1HB GLU 39 -7.853 -6.962 -3.715 335 HB3 GLU 39 2HB GLU 39 -6.410 -6.593 -2.785 336 HG2 GLU 39 1HG GLU 39 -8.307 -6.469 -1.347 337 HG3 GLU 39 2HG GLU 39 -7.667 -4.844 -1.584 338 H ALA 40 H ALA 40 -4.990 -4.943 -2.660 339 HA ALA 40 HA ALA 40 -5.658 -2.428 -1.477 340 HB1 ALA 40 3HB ALA 40 -4.573 -4.071 -0.118 341 HB2 ALA 40 1HB ALA 40 -3.500 -2.683 -0.284 342 HB3 ALA 40 2HB ALA 40 -3.205 -4.145 -1.223 343 H ILE 41 H ILE 41 -3.527 -3.492 -4.044 344 HA ILE 41 HA ILE 41 -1.850 -1.262 -4.145 345 HB ILE 41 HB ILE 41 -2.744 -3.000 -6.450 346 HG12 ILE 41 1HG1 ILE 41 -0.321 -3.142 -4.642 347 HG13 ILE 41 2HG1 ILE 41 -1.687 -4.251 -4.618 348 HG21 ILE 41 1HG2 ILE 41 -1.799 -0.894 -7.241 349 HG22 ILE 41 2HG2 ILE 41 -0.702 -2.236 -7.571 350 HG23 ILE 41 3HG2 ILE 41 -0.375 -1.142 -6.226 351 HD11 ILE 41 3HD1 ILE 41 -1.108 -5.047 -6.832 352 HD12 ILE 41 1HD1 ILE 41 0.268 -5.196 -5.740 353 HD13 ILE 41 2HD1 ILE 41 0.219 -3.887 -6.922 354 H ARG 42 H ARG 42 -5.092 -1.764 -5.400 355 HA ARG 42 HA ARG 42 -5.168 0.939 -6.495 356 HB2 ARG 42 1HB ARG 42 -6.379 -0.607 -7.820 357 HB3 ARG 42 2HB ARG 42 -7.152 -1.330 -6.415 358 HG2 ARG 42 1HG ARG 42 -8.293 0.895 -6.068 359 HG3 ARG 42 2HG ARG 42 -7.691 1.340 -7.663 360 HD2 ARG 42 1HD ARG 42 -8.935 -0.375 -8.713 361 HD3 ARG 42 2HD ARG 42 -9.318 -1.135 -7.168 362 HE ARG 42 HE ARG 42 -10.510 1.131 -6.749 363 HH11 ARG 42 1HH1 ARG 42 -10.341 -0.602 -9.802 364 HH12 ARG 42 2HH1 ARG 42 -11.872 0.003 -10.373 365 HH21 ARG 42 1HH2 ARG 42 -12.512 1.907 -7.489 366 HH22 ARG 42 2HH2 ARG 42 -13.097 1.452 -9.060 367 H GLN 43 H GLN 43 -6.885 -0.969 -4.044 368 HA GLN 43 HA GLN 43 -8.687 0.979 -3.232 369 HB2 GLN 43 1HB GLN 43 -8.674 -1.533 -2.762 370 HB3 GLN 43 2HB GLN 43 -7.583 -1.171 -1.433 371 HG2 GLN 43 1HG GLN 43 -9.857 -1.381 -0.644 372 HG3 GLN 43 2HG GLN 43 -9.265 0.266 -0.418 373 HE21 GLN 43 1HE2 GLN 43 -11.347 1.099 -0.337 374 HE22 GLN 43 2HE2 GLN 43 -12.322 1.266 -1.762 375 H PHE 44 H PHE 44 -5.454 0.275 -2.005 376 HA PHE 44 HA PHE 44 -5.739 1.797 0.382 377 HB2 PHE 44 1HB PHE 44 -4.095 -0.139 -0.253 378 HB3 PHE 44 2HB PHE 44 -3.085 1.173 -0.847 379 HD1 PHE 44 HD1 PHE 44 -4.953 0.071 2.170 380 HD2 PHE 44 HD2 PHE 44 -1.653 2.256 0.610 381 HE1 PHE 44 HE1 PHE 44 -4.110 0.419 4.455 382 HE2 PHE 44 HE2 PHE 44 -0.807 2.611 2.889 383 HZ PHE 44 HZ PHE 44 -2.037 1.690 4.818 384 H PHE 45 H PHE 45 -4.898 2.598 -2.868 385 HA PHE 45 HA PHE 45 -3.731 5.151 -2.088 386 HB2 PHE 45 1HB PHE 45 -4.134 3.812 -4.758 387 HB3 PHE 45 2HB PHE 45 -3.609 5.486 -4.617 388 HD1 PHE 45 HD1 PHE 45 -2.681 1.994 -4.110 389 HD2 PHE 45 HD2 PHE 45 -1.415 6.041 -3.813 390 HE1 PHE 45 HE1 PHE 45 -0.354 1.243 -3.863 391 HE2 PHE 45 HE2 PHE 45 0.915 5.298 -3.567 392 HZ PHE 45 HZ PHE 45 1.443 2.896 -3.594 393 H GLU 46 H GLU 46 -6.637 3.887 -3.639 394 HA GLU 46 HA GLU 46 -7.587 6.490 -4.382 395 HB2 GLU 46 1HB GLU 46 -9.212 5.398 -5.547 396 HB3 GLU 46 2HB GLU 46 -8.070 4.076 -5.365 397 HG2 GLU 46 1HG GLU 46 -9.331 3.118 -3.585 398 HG3 GLU 46 2HG GLU 46 -10.390 4.525 -3.511 399 H GLU 47 H GLU 47 -7.851 4.455 -1.637 400 HA GLU 47 HA GLU 47 -9.630 6.433 -0.378 401 HB2 GLU 47 1HB GLU 47 -10.795 4.302 -1.155 402 HB3 GLU 47 2HB GLU 47 -9.876 3.459 0.079 403 HG2 GLU 47 1HG GLU 47 -10.950 4.699 1.818 404 HG3 GLU 47 2HG GLU 47 -11.722 5.767 0.646 405 H PHE 48 H PHE 48 -6.985 6.627 -0.084 406 HA PHE 48 HA PHE 48 -5.933 5.084 2.084 407 HB2 PHE 48 1HB PHE 48 -4.508 6.011 0.278 408 HB3 PHE 48 2HB PHE 48 -4.857 7.631 0.852 409 HD1 PHE 48 HD1 PHE 48 -3.890 4.475 2.598 410 HD2 PHE 48 HD2 PHE 48 -2.968 8.546 1.767 411 HE1 PHE 48 HE1 PHE 48 -1.951 4.344 4.107 412 HE2 PHE 48 HE2 PHE 48 -1.029 8.421 3.274 413 HZ PHE 48 HZ PHE 48 -0.518 6.316 4.447 414 H GLU 49 H GLU 49 -6.205 8.617 1.878 415 HA GLU 49 HA GLU 49 -7.765 8.905 4.215 416 HB2 GLU 49 1HB GLU 49 -6.099 9.985 5.678 417 HB3 GLU 49 2HB GLU 49 -5.733 8.293 5.395 418 HG2 GLU 49 1HG GLU 49 -3.992 8.870 3.845 419 HG3 GLU 49 2HG GLU 49 -4.416 10.580 3.951 420 H GLN 50 H GLN 50 -5.567 10.281 1.856 421 HA GLN 50 HA GLN 50 -6.737 12.924 2.106 422 HB2 GLN 50 1HB GLN 50 -4.839 11.844 0.002 423 HB3 GLN 50 2HB GLN 50 -5.229 13.536 0.289 424 HG2 GLN 50 1HG GLN 50 -4.214 13.382 2.510 425 HG3 GLN 50 2HG GLN 50 -3.783 11.703 2.190 426 HE21 GLN 50 1HE2 GLN 50 -2.130 11.285 0.580 427 HE22 GLN 50 2HE2 GLN 50 -1.011 12.524 0.149 428 H ARG 51 H ARG 51 -7.822 10.148 1.113 429 HA ARG 51 HA ARG 51 -9.639 11.198 -0.896 430 HB2 ARG 51 1HB ARG 51 -7.776 8.858 -1.306 431 HB3 ARG 51 2HB ARG 51 -9.238 9.071 -2.252 432 HG2 ARG 51 1HG ARG 51 -8.383 10.980 -3.305 433 HG3 ARG 51 2HG ARG 51 -7.081 11.142 -2.122 434 HD2 ARG 51 1HD ARG 51 -5.772 9.734 -3.239 435 HD3 ARG 51 2HD ARG 51 -7.070 8.552 -3.384 436 HE ARG 51 HE ARG 51 -7.467 10.673 -5.213 437 HH11 ARG 51 1HH1 ARG 51 -5.431 7.891 -4.646 438 HH12 ARG 51 2HH1 ARG 51 -5.161 7.579 -6.335 439 HH21 ARG 51 1HH2 ARG 51 -7.151 10.256 -7.443 440 HH22 ARG 51 2HH2 ARG 51 -6.145 8.918 -7.919 441 H LYS 52 H LYS 52 -11.641 10.431 -0.458 442 HA LYS 52 HA LYS 52 -12.000 7.720 0.378 443 HB2 LYS 52 1HB LYS 52 -13.326 8.211 2.415 444 HB3 LYS 52 2HB LYS 52 -11.633 8.630 2.586 445 HG2 LYS 52 1HG LYS 52 -13.741 10.666 1.924 446 HG3 LYS 52 2HG LYS 52 -13.333 10.220 3.579 447 HD2 LYS 52 1HD LYS 52 -10.981 10.867 3.115 448 HD3 LYS 52 2HD LYS 52 -11.485 11.419 1.517 449 HE2 LYS 52 1HE LYS 52 -12.426 12.481 4.176 450 HE3 LYS 52 2HE LYS 52 -11.364 13.299 3.033 451 HZ1 LYS 52 3HZ LYS 52 -13.237 13.221 1.415 452 HZ2 LYS 52 1HZ LYS 52 -13.545 14.179 2.783 453 HZ3 LYS 52 2HZ LYS 52 -14.236 12.639 2.653 Start of MODEL 10 1 H1 MET 1 1H MET 1 -13.007 -5.505 6.149 2 H2 MET 1 2H MET 1 -14.432 -6.181 5.519 3 H3 MET 1 3H MET 1 -13.216 -5.638 4.472 4 HA MET 1 HA MET 1 -12.886 -7.840 6.417 5 HB2 MET 1 1HB MET 1 -14.534 -8.374 4.619 6 HB3 MET 1 2HB MET 1 -13.303 -8.008 3.419 7 HG2 MET 1 1HG MET 1 -13.482 -10.388 3.705 8 HG3 MET 1 2HG MET 1 -11.921 -9.836 4.310 9 HE1 MET 1 3HE MET 1 -15.477 -10.981 7.021 10 HE2 MET 1 1HE MET 1 -15.513 -11.100 5.262 11 HE3 MET 1 2HE MET 1 -15.445 -9.517 6.038 12 H LYS 2 H LYS 2 -10.880 -9.038 6.049 13 HA LYS 2 HA LYS 2 -8.682 -7.333 5.368 14 HB2 LYS 2 1HB LYS 2 -8.728 -10.299 5.973 15 HB3 LYS 2 2HB LYS 2 -7.295 -9.278 5.927 16 HG2 LYS 2 1HG LYS 2 -8.080 -8.012 7.821 17 HG3 LYS 2 2HG LYS 2 -9.599 -8.907 7.828 18 HD2 LYS 2 1HD LYS 2 -8.287 -10.988 8.235 19 HD3 LYS 2 2HD LYS 2 -6.845 -9.985 8.403 20 HE2 LYS 2 1HE LYS 2 -9.340 -9.755 10.079 21 HE3 LYS 2 2HE LYS 2 -7.851 -10.553 10.581 22 HZ1 LYS 2 3HZ LYS 2 -8.016 -8.298 11.454 23 HZ2 LYS 2 1HZ LYS 2 -8.110 -7.674 9.880 24 HZ3 LYS 2 2HZ LYS 2 -6.691 -8.448 10.406 25 H GLN 3 H GLN 3 -7.317 -7.455 3.625 26 HA GLN 3 HA GLN 3 -8.280 -9.081 1.355 27 HB2 GLN 3 1HB GLN 3 -7.402 -6.193 1.394 28 HB3 GLN 3 2HB GLN 3 -7.525 -7.133 -0.086 29 HG2 GLN 3 1HG GLN 3 -9.861 -7.355 0.137 30 HG3 GLN 3 2HG GLN 3 -9.833 -6.754 1.795 31 HE21 GLN 3 1HE2 GLN 3 -11.347 -5.168 1.260 32 HE22 GLN 3 2HE2 GLN 3 -10.900 -3.755 0.367 33 H TRP 4 H TRP 4 -5.560 -6.911 2.037 34 HA TRP 4 HA TRP 4 -3.710 -8.800 0.845 35 HB2 TRP 4 1HB TRP 4 -2.007 -6.970 1.365 36 HB3 TRP 4 2HB TRP 4 -3.246 -6.575 0.186 37 HD1 TRP 4 HD1 TRP 4 -5.058 -6.163 3.238 38 HE1 TRP 4 HE1 TRP 4 -5.027 -3.741 4.089 39 HE3 TRP 4 HE3 TRP 4 -1.148 -4.400 0.483 40 HZ2 TRP 4 HZ2 TRP 4 -3.537 -1.385 3.639 41 HZ3 TRP 4 HZ3 TRP 4 -0.481 -2.051 0.740 42 HH2 TRP 4 HH2 TRP 4 -1.652 -0.574 2.292 43 H SER 5 H SER 5 -1.622 -9.203 2.005 44 HA SER 5 HA SER 5 -1.950 -10.543 4.388 45 HB2 SER 5 1HB SER 5 -0.007 -10.780 2.869 46 HB3 SER 5 2HB SER 5 0.576 -9.205 3.398 47 HG SER 5 HG SER 5 1.366 -11.303 4.442 48 H GLU 6 H GLU 6 -2.458 -9.804 6.374 49 HA GLU 6 HA GLU 6 -2.809 -7.134 7.031 50 HB2 GLU 6 1HB GLU 6 -3.815 -9.072 8.223 51 HB3 GLU 6 2HB GLU 6 -2.254 -9.381 8.971 52 HG2 GLU 6 1HG GLU 6 -2.336 -7.220 10.079 53 HG3 GLU 6 2HG GLU 6 -3.875 -6.864 9.293 54 H ASN 7 H ASN 7 -0.017 -9.204 7.571 55 HA ASN 7 HA ASN 7 1.556 -7.472 9.107 56 HB2 ASN 7 1HB ASN 7 2.012 -9.906 8.521 57 HB3 ASN 7 2HB ASN 7 2.575 -9.344 6.955 58 HD21 ASN 7 1HD2 ASN 7 3.933 -10.762 9.127 59 HD22 ASN 7 2HD2 ASN 7 5.329 -9.808 9.501 60 H VAL 8 H VAL 8 1.072 -7.700 5.624 61 HA VAL 8 HA VAL 8 3.050 -5.749 4.958 62 HB VAL 8 HB VAL 8 0.732 -6.794 3.332 63 HG11 VAL 8 1HG1 VAL 8 2.003 -6.000 1.417 64 HG12 VAL 8 2HG1 VAL 8 3.233 -5.345 2.496 65 HG13 VAL 8 3HG1 VAL 8 1.598 -4.677 2.510 66 HG21 VAL 8 3HG2 VAL 8 2.394 -8.264 2.303 67 HG22 VAL 8 1HG2 VAL 8 2.228 -8.577 4.032 68 HG23 VAL 8 2HG2 VAL 8 3.613 -7.666 3.430 69 H GLU 9 H GLU 9 -0.424 -5.774 5.507 70 HA GLU 9 HA GLU 9 -1.135 -3.243 4.613 71 HB2 GLU 9 1HB GLU 9 -2.760 -4.931 5.382 72 HB3 GLU 9 2HB GLU 9 -2.190 -4.729 7.036 73 HG2 GLU 9 1HG GLU 9 -2.944 -2.389 6.987 74 HG3 GLU 9 2HG GLU 9 -3.558 -2.640 5.355 75 H GLU 10 H GLU 10 0.388 -4.236 7.619 76 HA GLU 10 HA GLU 10 0.352 -1.686 8.868 77 HB2 GLU 10 1HB GLU 10 0.657 -3.620 10.238 78 HB3 GLU 10 2HB GLU 10 2.044 -4.152 9.295 79 HG2 GLU 10 1HG GLU 10 3.226 -2.074 10.042 80 HG3 GLU 10 2HG GLU 10 1.878 -1.778 11.138 81 H LYS 11 H LYS 11 2.844 -3.438 7.015 82 HA LYS 11 HA LYS 11 4.820 -1.434 7.437 83 HB2 LYS 11 1HB LYS 11 4.665 -3.887 5.763 84 HB3 LYS 11 2HB LYS 11 5.922 -2.709 5.414 85 HG2 LYS 11 1HG LYS 11 6.975 -4.148 6.869 86 HG3 LYS 11 2HG LYS 11 6.448 -2.852 7.935 87 HD2 LYS 11 1HD LYS 11 4.509 -4.197 8.599 88 HD3 LYS 11 2HD LYS 11 5.045 -5.497 7.531 89 HE2 LYS 11 1HE LYS 11 5.743 -6.084 9.712 90 HE3 LYS 11 2HE LYS 11 7.188 -5.538 8.863 91 HZ1 LYS 11 3HZ LYS 11 6.935 -3.375 9.939 92 HZ2 LYS 11 1HZ LYS 11 7.108 -4.621 11.076 93 HZ3 LYS 11 2HZ LYS 11 5.577 -3.948 10.788 94 H LEU 12 H LEU 12 2.685 -2.193 4.719 95 HA LEU 12 HA LEU 12 3.638 -0.314 2.883 96 HB2 LEU 12 1HB LEU 12 1.186 -1.852 3.312 97 HB3 LEU 12 2HB LEU 12 0.921 -0.338 2.473 98 HG LEU 12 HG LEU 12 1.305 -2.472 1.085 99 HD11 LEU 12 1HD1 LEU 12 2.911 0.009 0.560 100 HD12 LEU 12 2HD1 LEU 12 1.219 -0.251 0.137 101 HD13 LEU 12 3HD1 LEU 12 2.482 -1.211 -0.637 102 HD21 LEU 12 3HD2 LEU 12 3.414 -3.294 0.756 103 HD22 LEU 12 1HD2 LEU 12 3.447 -2.961 2.485 104 HD23 LEU 12 2HD2 LEU 12 4.208 -1.840 1.350 105 H LYS 13 H LYS 13 1.133 0.009 5.342 106 HA LYS 13 HA LYS 13 0.369 2.621 5.014 107 HB2 LYS 13 1HB LYS 13 -0.772 1.326 6.612 108 HB3 LYS 13 2HB LYS 13 0.715 0.883 7.435 109 HG2 LYS 13 1HG LYS 13 0.897 3.336 8.077 110 HG3 LYS 13 2HG LYS 13 -0.782 3.474 7.547 111 HD2 LYS 13 1HD LYS 13 -1.495 1.838 9.139 112 HD3 LYS 13 2HD LYS 13 0.170 1.449 9.564 113 HE2 LYS 13 1HE LYS 13 0.442 3.751 10.434 114 HE3 LYS 13 2HE LYS 13 -1.262 4.050 10.085 115 HZ1 LYS 13 3HZ LYS 13 -0.215 1.980 11.944 116 HZ2 LYS 13 1HZ LYS 13 -1.852 2.282 11.617 117 HZ3 LYS 13 2HZ LYS 13 -0.915 3.455 12.402 118 H GLU 14 H GLU 14 3.115 1.415 6.883 119 HA GLU 14 HA GLU 14 3.824 4.050 7.753 120 HB2 GLU 14 1HB GLU 14 5.221 1.402 8.101 121 HB3 GLU 14 2HB GLU 14 5.672 2.898 8.913 122 HG2 GLU 14 1HG GLU 14 3.458 2.973 9.966 123 HG3 GLU 14 2HG GLU 14 3.047 1.446 9.187 124 H PHE 15 H PHE 15 4.980 1.808 5.309 125 HA PHE 15 HA PHE 15 7.448 3.182 4.934 126 HB2 PHE 15 1HB PHE 15 7.227 0.794 4.473 127 HB3 PHE 15 2HB PHE 15 6.050 1.128 3.211 128 HD1 PHE 15 HD1 PHE 15 9.514 2.181 4.139 129 HD2 PHE 15 HD2 PHE 15 6.818 1.004 1.059 130 HE1 PHE 15 HE1 PHE 15 11.341 2.307 2.495 131 HE2 PHE 15 HE2 PHE 15 8.640 1.129 -0.588 132 HZ PHE 15 HZ PHE 15 10.904 1.782 0.128 133 H VAL 16 H VAL 16 4.261 3.485 3.556 134 HA VAL 16 HA VAL 16 5.195 5.067 1.331 135 HB VAL 16 HB VAL 16 2.381 4.605 2.330 136 HG11 VAL 16 1HG1 VAL 16 1.653 5.516 0.180 137 HG12 VAL 16 2HG1 VAL 16 3.326 5.868 -0.246 138 HG13 VAL 16 3HG1 VAL 16 2.561 6.717 1.097 139 HG21 VAL 16 3HG2 VAL 16 3.895 3.417 0.010 140 HG22 VAL 16 1HG2 VAL 16 2.203 3.112 0.403 141 HG23 VAL 16 2HG2 VAL 16 3.474 2.588 1.510 142 H LYS 17 H LYS 17 2.996 5.865 4.057 143 HA LYS 17 HA LYS 17 3.332 8.651 3.342 144 HB2 LYS 17 1HB LYS 17 1.454 9.141 4.638 145 HB3 LYS 17 2HB LYS 17 1.116 7.654 3.778 146 HG2 LYS 17 1HG LYS 17 1.707 6.432 5.903 147 HG3 LYS 17 2HG LYS 17 1.700 8.013 6.697 148 HD2 LYS 17 1HD LYS 17 -0.576 8.385 5.836 149 HD3 LYS 17 2HD LYS 17 -0.562 6.754 5.169 150 HE2 LYS 17 1HE LYS 17 -1.735 6.626 7.220 151 HE3 LYS 17 2HE LYS 17 -0.149 5.923 7.510 152 HZ1 LYS 17 3HZ LYS 17 0.546 8.058 8.477 153 HZ2 LYS 17 1HZ LYS 17 -0.756 7.366 9.315 154 HZ3 LYS 17 2HZ LYS 17 -1.018 8.661 8.255 155 H ARG 18 H ARG 18 4.314 6.549 5.915 156 HA ARG 18 HA ARG 18 5.051 8.725 7.659 157 HB2 ARG 18 1HB ARG 18 5.652 5.775 7.850 158 HB3 ARG 18 2HB ARG 18 6.043 6.953 9.091 159 HG2 ARG 18 1HG ARG 18 3.601 7.490 9.225 160 HG3 ARG 18 2HG ARG 18 3.313 6.125 8.146 161 HD2 ARG 18 1HD ARG 18 2.983 5.357 10.382 162 HD3 ARG 18 2HD ARG 18 4.504 4.673 9.806 163 HE ARG 18 HE ARG 18 5.024 7.101 11.137 164 HH11 ARG 18 1HH1 ARG 18 4.051 3.801 11.808 165 HH12 ARG 18 2HH1 ARG 18 4.620 3.826 13.445 166 HH21 ARG 18 1HH2 ARG 18 5.789 7.140 13.273 167 HH22 ARG 18 2HH2 ARG 18 5.617 5.737 14.282 168 H HIS 19 H HIS 19 6.561 6.982 5.120 169 HA HIS 19 HA HIS 19 9.207 7.921 5.936 170 HB2 HIS 19 1HB HIS 19 8.288 5.953 3.841 171 HB3 HIS 19 2HB HIS 19 9.923 6.606 3.839 172 HD1 HIS 19 HD1 HIS 19 7.628 4.629 6.169 173 HD2 HIS 19 HD2 HIS 19 11.660 5.312 5.428 174 HE1 HIS 19 HE1 HIS 19 8.908 3.060 7.684 175 H GLN 20 H GLN 20 10.284 8.144 3.318 176 HA GLN 20 HA GLN 20 9.481 10.853 2.753 177 HB2 GLN 20 1HB GLN 20 11.576 9.065 1.512 178 HB3 GLN 20 2HB GLN 20 11.342 10.756 1.091 179 HG2 GLN 20 1HG GLN 20 11.954 11.458 3.290 180 HG3 GLN 20 2HG GLN 20 11.985 9.793 3.868 181 HE21 GLN 20 1HE2 GLN 20 13.236 10.705 0.746 182 HE22 GLN 20 2HE2 GLN 20 14.906 10.444 1.121 183 H ARG 21 H ARG 21 7.657 8.581 2.145 184 HA ARG 21 HA ARG 21 6.132 7.950 0.621 185 HB2 ARG 21 1HB ARG 21 7.021 10.424 -0.874 186 HB3 ARG 21 2HB ARG 21 5.546 9.515 -1.183 187 HG2 ARG 21 1HG ARG 21 4.802 10.030 1.120 188 HG3 ARG 21 2HG ARG 21 6.240 11.031 1.322 189 HD2 ARG 21 1HD ARG 21 5.490 12.373 -0.645 190 HD3 ARG 21 2HD ARG 21 3.990 11.445 -0.641 191 HE ARG 21 HE ARG 21 4.786 12.885 1.794 192 HH11 ARG 21 1HH1 ARG 21 2.597 12.548 -0.941 193 HH12 ARG 21 2HH1 ARG 21 1.422 13.636 -0.281 194 HH21 ARG 21 1HH2 ARG 21 3.233 14.322 2.642 195 HH22 ARG 21 2HH2 ARG 21 1.762 14.626 1.761 196 H ILE 22 H ILE 22 5.924 7.644 -1.980 197 HA ILE 22 HA ILE 22 8.345 6.861 -3.256 198 HB ILE 22 HB ILE 22 8.261 5.103 -1.559 199 HG12 ILE 22 1HG1 ILE 22 7.478 3.992 -4.263 200 HG13 ILE 22 2HG1 ILE 22 9.096 4.538 -3.827 201 HG21 ILE 22 1HG2 ILE 22 6.418 3.487 -1.491 202 HG22 ILE 22 2HG2 ILE 22 5.544 4.451 -2.683 203 HG23 ILE 22 3HG2 ILE 22 5.888 5.121 -1.088 204 HD11 ILE 22 3HD1 ILE 22 7.595 2.258 -2.564 205 HD12 ILE 22 1HD1 ILE 22 9.201 2.815 -2.097 206 HD13 ILE 22 2HD1 ILE 22 8.936 2.129 -3.701 207 H THR 23 H THR 23 7.991 6.163 -5.404 208 HA THR 23 HA THR 23 5.529 7.009 -6.572 209 HB THR 23 HB THR 23 6.506 6.014 -8.684 210 HG1 THR 23 HG1 THR 23 8.887 5.719 -7.157 211 HG21 THR 23 3HG2 THR 23 8.243 7.952 -7.152 212 HG22 THR 23 1HG2 THR 23 6.815 8.371 -8.097 213 HG23 THR 23 2HG2 THR 23 8.245 7.724 -8.902 214 H GLN 24 H GLN 24 3.956 5.768 -7.638 215 HA GLN 24 HA GLN 24 3.190 3.382 -6.354 216 HB2 GLN 24 1HB GLN 24 1.608 4.929 -7.443 217 HB3 GLN 24 2HB GLN 24 2.258 4.483 -9.012 218 HG2 GLN 24 1HG GLN 24 1.498 2.187 -8.681 219 HG3 GLN 24 2HG GLN 24 0.853 2.631 -7.102 220 HE21 GLN 24 1HE2 GLN 24 -0.488 1.567 -9.483 221 HE22 GLN 24 2HE2 GLN 24 -1.732 2.701 -9.868 222 H GLU 25 H GLU 25 5.129 3.998 -9.167 223 HA GLU 25 HA GLU 25 5.103 1.533 -10.452 224 HB2 GLU 25 1HB GLU 25 6.216 3.494 -11.365 225 HB3 GLU 25 2HB GLU 25 7.390 3.472 -10.057 226 HG2 GLU 25 1HG GLU 25 8.113 1.218 -10.879 227 HG3 GLU 25 2HG GLU 25 7.079 1.481 -12.282 228 H GLU 26 H GLU 26 7.603 2.628 -8.156 229 HA GLU 26 HA GLU 26 8.638 0.002 -7.797 230 HB2 GLU 26 1HB GLU 26 10.025 2.021 -7.532 231 HB3 GLU 26 2HB GLU 26 9.071 2.493 -6.133 232 HG2 GLU 26 1HG GLU 26 9.847 0.602 -4.888 233 HG3 GLU 26 2HG GLU 26 10.662 -0.053 -6.306 234 H LEU 27 H LEU 27 6.170 1.876 -6.288 235 HA LEU 27 HA LEU 27 5.936 0.525 -3.844 236 HB2 LEU 27 1HB LEU 27 4.802 2.675 -4.629 237 HB3 LEU 27 2HB LEU 27 3.648 1.648 -5.451 238 HG LEU 27 HG LEU 27 2.927 2.570 -3.217 239 HD11 LEU 27 1HD1 LEU 27 2.969 -0.430 -3.517 240 HD12 LEU 27 2HD1 LEU 27 1.796 0.671 -4.236 241 HD13 LEU 27 3HD1 LEU 27 1.876 0.490 -2.485 242 HD21 LEU 27 3HD2 LEU 27 3.796 1.596 -1.209 243 HD22 LEU 27 1HD2 LEU 27 5.153 2.231 -2.135 244 HD23 LEU 27 2HD2 LEU 27 4.827 0.497 -2.124 245 H HIS 28 H HIS 28 4.562 -0.133 -7.051 246 HA HIS 28 HA HIS 28 2.892 -2.249 -6.187 247 HB2 HIS 28 1HB HIS 28 2.602 -0.995 -8.336 248 HB3 HIS 28 2HB HIS 28 4.002 -1.857 -8.975 249 HD1 HIS 28 HD1 HIS 28 3.711 -4.541 -9.150 250 HD2 HIS 28 HD2 HIS 28 0.245 -2.338 -8.479 251 HE1 HIS 28 HE1 HIS 28 1.780 -6.122 -9.509 252 H GLN 29 H GLN 29 6.191 -2.205 -7.508 253 HA GLN 29 HA GLN 29 6.381 -5.046 -7.640 254 HB2 GLN 29 1HB GLN 29 8.718 -4.732 -8.108 255 HB3 GLN 29 2HB GLN 29 7.804 -3.514 -8.978 256 HG2 GLN 29 1HG GLN 29 9.438 -2.186 -8.195 257 HG3 GLN 29 2HG GLN 29 8.382 -2.113 -6.784 258 HE21 GLN 29 1HE2 GLN 29 10.268 -4.906 -7.730 259 HE22 GLN 29 2HE2 GLN 29 11.361 -4.870 -6.385 260 H TYR 30 H TYR 30 6.807 -2.711 -5.134 261 HA TYR 30 HA TYR 30 8.099 -4.498 -3.289 262 HB2 TYR 30 1HB TYR 30 8.329 -2.022 -3.152 263 HB3 TYR 30 2HB TYR 30 6.617 -1.902 -2.770 264 HD1 TYR 30 HD1 TYR 30 9.635 -3.739 -1.512 265 HD2 TYR 30 HD2 TYR 30 6.088 -1.589 -0.551 266 HE1 TYR 30 HE1 TYR 30 10.174 -3.927 0.882 267 HE2 TYR 30 HE2 TYR 30 6.616 -1.776 1.841 268 HH TYR 30 HH TYR 30 9.677 -2.794 2.985 269 H ALA 31 H ALA 31 4.916 -3.997 -4.420 270 HA ALA 31 HA ALA 31 3.537 -4.841 -2.042 271 HB1 ALA 31 3HB ALA 31 1.540 -4.824 -3.488 272 HB2 ALA 31 1HB ALA 31 2.573 -4.519 -4.885 273 HB3 ALA 31 2HB ALA 31 2.455 -3.322 -3.598 274 H GLN 32 H GLN 32 4.018 -6.280 -5.274 275 HA GLN 32 HA GLN 32 2.945 -8.804 -4.595 276 HB2 GLN 32 1HB GLN 32 4.875 -7.995 -6.767 277 HB3 GLN 32 2HB GLN 32 4.201 -9.612 -6.614 278 HG2 GLN 32 1HG GLN 32 1.974 -8.765 -6.951 279 HG3 GLN 32 2HG GLN 32 2.572 -7.107 -6.966 280 HE21 GLN 32 1HE2 GLN 32 4.953 -7.790 -8.491 281 HE22 GLN 32 2HE2 GLN 32 4.418 -8.048 -10.118 282 H ARG 33 H ARG 33 6.124 -7.419 -4.258 283 HA ARG 33 HA ARG 33 7.555 -9.768 -3.689 284 HB2 ARG 33 1HB ARG 33 8.718 -7.749 -4.251 285 HB3 ARG 33 2HB ARG 33 7.999 -6.885 -2.901 286 HG2 ARG 33 1HG ARG 33 9.391 -7.874 -1.356 287 HG3 ARG 33 2HG ARG 33 9.712 -9.271 -2.380 288 HD2 ARG 33 1HD ARG 33 11.611 -7.622 -2.091 289 HD3 ARG 33 2HD ARG 33 11.201 -8.063 -3.745 290 HE ARG 33 HE ARG 33 9.987 -5.901 -3.850 291 HH11 ARG 33 1HH1 ARG 33 12.488 -6.328 -1.425 292 HH12 ARG 33 2HH1 ARG 33 12.947 -4.648 -1.424 293 HH21 ARG 33 1HH2 ARG 33 10.595 -3.695 -3.852 294 HH22 ARG 33 2HH2 ARG 33 11.857 -3.152 -2.792 295 H LEU 34 H LEU 34 5.221 -8.060 -1.803 296 HA LEU 34 HA LEU 34 6.103 -9.530 0.589 297 HB2 LEU 34 1HB LEU 34 4.427 -7.038 0.348 298 HB3 LEU 34 2HB LEU 34 4.643 -7.922 1.846 299 HG LEU 34 HG LEU 34 6.792 -6.515 0.267 300 HD11 LEU 34 1HD1 LEU 34 5.355 -5.014 1.511 301 HD12 LEU 34 2HD1 LEU 34 6.950 -5.103 2.258 302 HD13 LEU 34 3HD1 LEU 34 5.592 -5.972 2.974 303 HD21 LEU 34 3HD2 LEU 34 7.005 -8.112 2.817 304 HD22 LEU 34 1HD2 LEU 34 8.296 -7.152 2.093 305 HD23 LEU 34 2HD2 LEU 34 7.668 -8.566 1.246 306 H GLY 35 H GLY 35 3.806 -9.677 -1.839 307 HA2 GLY 35 1HA GLY 35 2.380 -11.623 -1.859 308 HA3 GLY 35 2HA GLY 35 2.196 -11.455 -0.115 309 H LEU 36 H LEU 36 1.800 -8.975 -2.657 310 HA LEU 36 HA LEU 36 -0.905 -8.612 -1.561 311 HB2 LEU 36 1HB LEU 36 0.767 -6.527 -2.952 312 HB3 LEU 36 2HB LEU 36 -0.787 -6.289 -2.171 313 HG LEU 36 HG LEU 36 1.853 -6.880 -0.841 314 HD11 LEU 36 1HD1 LEU 36 -0.105 -4.596 -0.628 315 HD12 LEU 36 2HD1 LEU 36 1.465 -4.561 -1.431 316 HD13 LEU 36 3HD1 LEU 36 1.374 -4.776 0.316 317 HD21 LEU 36 3HD2 LEU 36 0.541 -6.826 1.283 318 HD22 LEU 36 1HD2 LEU 36 0.251 -8.248 0.282 319 HD23 LEU 36 2HD2 LEU 36 -0.930 -6.943 0.315 320 H ASN 37 H ASN 37 -2.617 -8.578 -2.806 321 HA ASN 37 HA ASN 37 -2.362 -8.810 -5.691 322 HB2 ASN 37 1HB ASN 37 -4.907 -8.938 -5.563 323 HB3 ASN 37 2HB ASN 37 -4.027 -10.258 -4.809 324 HD21 ASN 37 1HD2 ASN 37 -4.297 -7.103 -3.284 325 HD22 ASN 37 2HD2 ASN 37 -5.375 -7.611 -2.026 326 H GLU 38 H GLU 38 -3.669 -7.330 -7.077 327 HA GLU 38 HA GLU 38 -2.915 -4.659 -6.452 328 HB2 GLU 38 1HB GLU 38 -3.037 -5.714 -8.764 329 HB3 GLU 38 2HB GLU 38 -4.778 -5.473 -8.675 330 HG2 GLU 38 1HG GLU 38 -4.324 -3.042 -8.284 331 HG3 GLU 38 2HG GLU 38 -2.627 -3.376 -8.637 332 H GLU 39 H GLU 39 -5.750 -6.497 -5.931 333 HA GLU 39 HA GLU 39 -7.795 -4.685 -5.706 334 HB2 GLU 39 1HB GLU 39 -8.408 -6.871 -5.276 335 HB3 GLU 39 2HB GLU 39 -7.022 -7.171 -4.244 336 HG2 GLU 39 1HG GLU 39 -8.033 -6.043 -2.412 337 HG3 GLU 39 2HG GLU 39 -9.336 -5.430 -3.436 338 H ALA 40 H ALA 40 -5.326 -5.439 -3.304 339 HA ALA 40 HA ALA 40 -6.279 -3.491 -1.424 340 HB1 ALA 40 3HB ALA 40 -3.694 -5.039 -1.474 341 HB2 ALA 40 1HB ALA 40 -5.186 -5.551 -0.688 342 HB3 ALA 40 2HB ALA 40 -4.327 -4.122 -0.106 343 H ILE 41 H ILE 41 -3.756 -3.679 -3.845 344 HA ILE 41 HA ILE 41 -2.266 -1.417 -3.083 345 HB ILE 41 HB ILE 41 -2.600 -2.525 -5.877 346 HG12 ILE 41 1HG1 ILE 41 -0.544 -3.246 -3.775 347 HG13 ILE 41 2HG1 ILE 41 -1.922 -4.250 -4.213 348 HG21 ILE 41 1HG2 ILE 41 -0.382 -1.557 -6.274 349 HG22 ILE 41 2HG2 ILE 41 -0.387 -0.891 -4.641 350 HG23 ILE 41 3HG2 ILE 41 -1.560 -0.323 -5.829 351 HD11 ILE 41 3HD1 ILE 41 0.075 -5.057 -5.283 352 HD12 ILE 41 1HD1 ILE 41 0.366 -3.474 -6.003 353 HD13 ILE 41 2HD1 ILE 41 -1.035 -4.424 -6.498 354 H ARG 42 H ARG 42 -4.828 -1.843 -5.480 355 HA ARG 42 HA ARG 42 -5.013 0.847 -6.287 356 HB2 ARG 42 1HB ARG 42 -5.960 -0.750 -7.722 357 HB3 ARG 42 2HB ARG 42 -6.864 -1.517 -6.425 358 HG2 ARG 42 1HG ARG 42 -8.253 0.542 -6.287 359 HG3 ARG 42 2HG ARG 42 -7.404 1.133 -7.718 360 HD2 ARG 42 1HD ARG 42 -8.296 -0.532 -9.084 361 HD3 ARG 42 2HD ARG 42 -8.753 -1.542 -7.711 362 HE ARG 42 HE ARG 42 -10.203 0.767 -7.405 363 HH11 ARG 42 1HH1 ARG 42 -9.896 -1.654 -9.929 364 HH12 ARG 42 2HH1 ARG 42 -11.539 -1.490 -10.462 365 HH21 ARG 42 1HH2 ARG 42 -12.372 0.959 -8.091 366 HH22 ARG 42 2HH2 ARG 42 -12.953 -0.008 -9.413 367 H GLN 43 H GLN 43 -6.729 -1.012 -3.813 368 HA GLN 43 HA GLN 43 -8.682 0.909 -3.200 369 HB2 GLN 43 1HB GLN 43 -8.631 -1.560 -2.568 370 HB3 GLN 43 2HB GLN 43 -7.558 -1.097 -1.254 371 HG2 GLN 43 1HG GLN 43 -9.806 -1.274 -0.428 372 HG3 GLN 43 2HG GLN 43 -9.299 0.415 -0.393 373 HE21 GLN 43 1HE2 GLN 43 -11.400 1.196 -0.420 374 HE22 GLN 43 2HE2 GLN 43 -12.394 1.110 -1.840 375 H PHE 44 H PHE 44 -5.400 0.474 -2.028 376 HA PHE 44 HA PHE 44 -5.688 2.237 0.210 377 HB2 PHE 44 1HB PHE 44 -3.991 0.340 -0.070 378 HB3 PHE 44 2HB PHE 44 -3.086 1.449 -1.093 379 HD1 PHE 44 HD1 PHE 44 -4.758 1.491 2.244 380 HD2 PHE 44 HD2 PHE 44 -1.357 2.574 -0.078 381 HE1 PHE 44 HE1 PHE 44 -3.699 2.450 4.247 382 HE2 PHE 44 HE2 PHE 44 -0.294 3.535 1.923 383 HZ PHE 44 HZ PHE 44 -1.469 3.477 4.090 384 H PHE 45 H PHE 45 -4.935 2.664 -3.149 385 HA PHE 45 HA PHE 45 -3.832 5.318 -2.683 386 HB2 PHE 45 1HB PHE 45 -3.968 3.508 -5.062 387 HB3 PHE 45 2HB PHE 45 -3.723 5.236 -5.303 388 HD1 PHE 45 HD1 PHE 45 -2.396 2.577 -3.030 389 HD2 PHE 45 HD2 PHE 45 -1.560 5.890 -5.566 390 HE1 PHE 45 HE1 PHE 45 0.002 2.326 -2.562 391 HE2 PHE 45 HE2 PHE 45 0.844 5.640 -5.107 392 HZ PHE 45 HZ PHE 45 1.627 3.855 -3.604 393 H GLU 46 H GLU 46 -6.629 3.858 -4.322 394 HA GLU 46 HA GLU 46 -7.614 6.388 -5.221 395 HB2 GLU 46 1HB GLU 46 -9.448 5.214 -6.114 396 HB3 GLU 46 2HB GLU 46 -8.064 4.144 -6.266 397 HG2 GLU 46 1HG GLU 46 -8.770 2.768 -4.552 398 HG3 GLU 46 2HG GLU 46 -9.934 3.946 -3.948 399 H GLU 47 H GLU 47 -7.997 4.431 -2.446 400 HA GLU 47 HA GLU 47 -9.875 6.387 -1.287 401 HB2 GLU 47 1HB GLU 47 -10.917 4.186 -1.697 402 HB3 GLU 47 2HB GLU 47 -9.677 3.418 -0.726 403 HG2 GLU 47 1HG GLU 47 -10.474 4.631 1.242 404 HG3 GLU 47 2HG GLU 47 -11.717 5.403 0.259 405 H PHE 48 H PHE 48 -7.383 7.096 -1.132 406 HA PHE 48 HA PHE 48 -5.935 5.935 1.055 407 HB2 PHE 48 1HB PHE 48 -4.869 6.986 -0.961 408 HB3 PHE 48 2HB PHE 48 -5.378 8.553 -0.349 409 HD1 PHE 48 HD1 PHE 48 -3.483 5.528 0.726 410 HD2 PHE 48 HD2 PHE 48 -3.917 9.760 0.952 411 HE1 PHE 48 HE1 PHE 48 -1.406 5.672 2.041 412 HE2 PHE 48 HE2 PHE 48 -1.846 9.906 2.269 413 HZ PHE 48 HZ PHE 48 -0.585 7.864 2.810 414 H GLU 49 H GLU 49 -6.855 9.373 0.657 415 HA GLU 49 HA GLU 49 -8.285 9.436 3.120 416 HB2 GLU 49 1HB GLU 49 -6.860 10.816 4.447 417 HB3 GLU 49 2HB GLU 49 -5.904 9.442 3.921 418 HG2 GLU 49 1HG GLU 49 -4.808 10.800 2.244 419 HG3 GLU 49 2HG GLU 49 -5.812 12.186 2.678 420 H GLN 50 H GLN 50 -6.634 11.292 0.597 421 HA GLN 50 HA GLN 50 -8.697 13.350 0.794 422 HB2 GLN 50 1HB GLN 50 -7.215 14.662 -0.702 423 HB3 GLN 50 2HB GLN 50 -6.441 14.194 0.805 424 HG2 GLN 50 1HG GLN 50 -5.225 12.436 -0.313 425 HG3 GLN 50 2HG GLN 50 -6.057 12.794 -1.826 426 HE21 GLN 50 1HE2 GLN 50 -3.193 12.837 -1.111 427 HE22 GLN 50 2HE2 GLN 50 -2.646 14.422 -1.549 428 H ARG 51 H ARG 51 -7.399 10.857 -1.251 429 HA ARG 51 HA ARG 51 -9.251 11.380 -3.396 430 HB2 ARG 51 1HB ARG 51 -7.355 9.102 -2.821 431 HB3 ARG 51 2HB ARG 51 -8.463 9.094 -4.187 432 HG2 ARG 51 1HG ARG 51 -7.400 11.160 -5.011 433 HG3 ARG 51 2HG ARG 51 -6.245 11.058 -3.679 434 HD2 ARG 51 1HD ARG 51 -5.388 8.983 -4.492 435 HD3 ARG 51 2HD ARG 51 -6.662 8.876 -5.708 436 HE ARG 51 HE ARG 51 -5.101 11.250 -5.995 437 HH11 ARG 51 1HH1 ARG 51 -5.161 7.815 -6.654 438 HH12 ARG 51 2HH1 ARG 51 -4.120 7.916 -8.039 439 HH21 ARG 51 1HH2 ARG 51 -3.728 11.408 -7.821 440 HH22 ARG 51 2HH2 ARG 51 -3.295 9.973 -8.701 441 H LYS 52 H LYS 52 -11.308 10.850 -3.300 442 HA LYS 52 HA LYS 52 -12.231 8.364 -2.277 443 HB2 LYS 52 1HB LYS 52 -13.756 9.481 -0.531 444 HB3 LYS 52 2HB LYS 52 -12.069 9.232 -0.106 445 HG2 LYS 52 1HG LYS 52 -11.611 11.588 -0.702 446 HG3 LYS 52 2HG LYS 52 -13.335 11.814 -1.001 447 HD2 LYS 52 1HD LYS 52 -13.833 11.278 1.315 448 HD3 LYS 52 2HD LYS 52 -12.130 10.940 1.624 449 HE2 LYS 52 1HE LYS 52 -11.569 13.264 1.143 450 HE3 LYS 52 2HE LYS 52 -13.261 13.608 0.788 451 HZ1 LYS 52 3HZ LYS 52 -12.583 14.289 3.033 452 HZ2 LYS 52 1HZ LYS 52 -12.244 12.674 3.422 453 HZ3 LYS 52 2HZ LYS 52 -13.833 13.146 3.059 Start of MODEL 11 1 H1 MET 1 1H MET 1 -13.706 -8.586 5.504 2 H2 MET 1 2H MET 1 -14.721 -9.810 4.913 3 H3 MET 1 3H MET 1 -13.986 -8.723 3.835 4 HA MET 1 HA MET 1 -12.552 -10.651 5.558 5 HB2 MET 1 1HB MET 1 -13.866 -11.734 3.752 6 HB3 MET 1 2HB MET 1 -13.054 -10.717 2.569 7 HG2 MET 1 1HG MET 1 -12.099 -12.943 2.614 8 HG3 MET 1 2HG MET 1 -10.921 -11.739 3.134 9 HE1 MET 1 3HE MET 1 -10.070 -14.993 5.206 10 HE2 MET 1 1HE MET 1 -9.468 -13.826 4.027 11 HE3 MET 1 2HE MET 1 -10.751 -14.950 3.580 12 H LYS 2 H LYS 2 -10.254 -10.789 4.985 13 HA LYS 2 HA LYS 2 -9.179 -8.150 4.473 14 HB2 LYS 2 1HB LYS 2 -7.793 -10.730 5.237 15 HB3 LYS 2 2HB LYS 2 -7.071 -9.123 5.242 16 HG2 LYS 2 1HG LYS 2 -8.492 -8.395 7.002 17 HG3 LYS 2 2HG LYS 2 -9.473 -9.856 6.893 18 HD2 LYS 2 1HD LYS 2 -7.453 -11.162 7.572 19 HD3 LYS 2 2HD LYS 2 -6.626 -9.624 7.856 20 HE2 LYS 2 1HE LYS 2 -8.375 -8.990 9.452 21 HE3 LYS 2 2HE LYS 2 -9.181 -10.534 9.178 22 HZ1 LYS 2 3HZ LYS 2 -6.442 -10.211 10.297 23 HZ2 LYS 2 1HZ LYS 2 -7.278 -11.675 10.101 24 HZ3 LYS 2 2HZ LYS 2 -7.837 -10.516 11.208 25 H GLN 3 H GLN 3 -7.458 -7.784 2.935 26 HA GLN 3 HA GLN 3 -7.767 -9.493 0.554 27 HB2 GLN 3 1HB GLN 3 -8.057 -7.480 -0.836 28 HB3 GLN 3 2HB GLN 3 -9.357 -7.684 0.328 29 HG2 GLN 3 1HG GLN 3 -7.028 -5.922 0.935 30 HG3 GLN 3 2HG GLN 3 -8.367 -5.343 -0.052 31 HE21 GLN 3 1HE2 GLN 3 -10.363 -5.010 0.897 32 HE22 GLN 3 2HE2 GLN 3 -10.570 -4.927 2.615 33 H TRP 4 H TRP 4 -5.586 -8.902 2.544 34 HA TRP 4 HA TRP 4 -3.418 -8.772 0.705 35 HB2 TRP 4 1HB TRP 4 -2.379 -6.803 2.148 36 HB3 TRP 4 2HB TRP 4 -3.365 -6.474 0.743 37 HD1 TRP 4 HD1 TRP 4 -4.507 -4.256 1.325 38 HE1 TRP 4 HE1 TRP 4 -6.011 -3.414 3.232 39 HE3 TRP 4 HE3 TRP 4 -4.076 -8.202 4.466 40 HZ2 TRP 4 HZ2 TRP 4 -6.889 -4.306 5.755 41 HZ3 TRP 4 HZ3 TRP 4 -5.266 -8.152 6.626 42 HH2 TRP 4 HH2 TRP 4 -6.642 -6.236 7.257 43 H SER 5 H SER 5 -1.308 -8.456 2.271 44 HA SER 5 HA SER 5 -1.685 -10.272 4.491 45 HB2 SER 5 1HB SER 5 0.357 -10.535 3.173 46 HB3 SER 5 2HB SER 5 0.801 -8.859 3.490 47 HG SER 5 HG SER 5 0.380 -10.722 5.587 48 H GLU 6 H GLU 6 -2.517 -9.457 6.290 49 HA GLU 6 HA GLU 6 -2.971 -6.985 7.168 50 HB2 GLU 6 1HB GLU 6 -1.859 -9.099 8.925 51 HB3 GLU 6 2HB GLU 6 -2.851 -7.759 9.442 52 HG2 GLU 6 1HG GLU 6 -4.720 -8.634 8.174 53 HG3 GLU 6 2HG GLU 6 -3.721 -9.968 7.594 54 H ASN 7 H ASN 7 0.128 -8.604 7.690 55 HA ASN 7 HA ASN 7 1.327 -6.538 9.165 56 HB2 ASN 7 1HB ASN 7 2.507 -8.757 7.520 57 HB3 ASN 7 2HB ASN 7 3.489 -7.675 8.503 58 HD21 ASN 7 1HD2 ASN 7 3.239 -10.526 8.755 59 HD22 ASN 7 2HD2 ASN 7 2.590 -10.835 10.330 60 H VAL 8 H VAL 8 1.137 -7.183 5.747 61 HA VAL 8 HA VAL 8 3.057 -5.260 4.935 62 HB VAL 8 HB VAL 8 0.764 -6.471 3.381 63 HG11 VAL 8 1HG1 VAL 8 3.142 -4.857 2.492 64 HG12 VAL 8 2HG1 VAL 8 1.432 -4.472 2.290 65 HG13 VAL 8 3HG1 VAL 8 2.140 -5.819 1.410 66 HG21 VAL 8 3HG2 VAL 8 3.675 -7.233 3.598 67 HG22 VAL 8 1HG2 VAL 8 2.541 -7.913 2.431 68 HG23 VAL 8 2HG2 VAL 8 2.289 -8.168 4.157 69 H GLU 9 H GLU 9 -0.454 -5.224 5.273 70 HA GLU 9 HA GLU 9 -1.023 -2.760 4.118 71 HB2 GLU 9 1HB GLU 9 -2.607 -4.567 4.968 72 HB3 GLU 9 2HB GLU 9 -2.388 -3.878 6.568 73 HG2 GLU 9 1HG GLU 9 -3.268 -2.121 4.324 74 HG3 GLU 9 2HG GLU 9 -4.426 -3.209 5.076 75 H GLU 10 H GLU 10 -0.268 -3.528 7.482 76 HA GLU 10 HA GLU 10 -0.264 -0.962 8.552 77 HB2 GLU 10 1HB GLU 10 -0.168 -2.828 10.021 78 HB3 GLU 10 2HB GLU 10 1.279 -3.455 9.246 79 HG2 GLU 10 1HG GLU 10 2.520 -1.480 10.078 80 HG3 GLU 10 2HG GLU 10 1.074 -0.995 10.965 81 H LYS 11 H LYS 11 2.439 -2.807 7.173 82 HA LYS 11 HA LYS 11 4.310 -0.748 7.840 83 HB2 LYS 11 1HB LYS 11 4.718 -3.250 7.803 84 HB3 LYS 11 2HB LYS 11 4.812 -3.114 6.054 85 HG2 LYS 11 1HG LYS 11 6.726 -1.714 6.181 86 HG3 LYS 11 2HG LYS 11 6.549 -1.526 7.922 87 HD2 LYS 11 1HD LYS 11 7.225 -4.082 6.467 88 HD3 LYS 11 2HD LYS 11 8.344 -3.086 7.398 89 HE2 LYS 11 1HE LYS 11 5.996 -4.677 8.429 90 HE3 LYS 11 2HE LYS 11 7.705 -4.935 8.770 91 HZ1 LYS 11 3HZ LYS 11 6.589 -3.848 10.621 92 HZ2 LYS 11 1HZ LYS 11 6.113 -2.567 9.619 93 HZ3 LYS 11 2HZ LYS 11 7.757 -2.823 9.946 94 H LEU 12 H LEU 12 2.582 -1.696 4.935 95 HA LEU 12 HA LEU 12 4.085 -0.281 3.033 96 HB2 LEU 12 1HB LEU 12 2.334 -1.875 2.426 97 HB3 LEU 12 2HB LEU 12 1.115 -0.826 3.120 98 HG LEU 12 HG LEU 12 1.684 0.889 1.403 99 HD11 LEU 12 1HD1 LEU 12 3.953 0.174 0.905 100 HD12 LEU 12 2HD1 LEU 12 2.965 0.194 -0.555 101 HD13 LEU 12 3HD1 LEU 12 3.342 -1.338 0.234 102 HD21 LEU 12 3HD2 LEU 12 0.836 -1.799 0.336 103 HD22 LEU 12 1HD2 LEU 12 0.524 -0.236 -0.417 104 HD23 LEU 12 2HD2 LEU 12 -0.214 -0.630 1.134 105 H LYS 13 H LYS 13 1.268 0.714 4.947 106 HA LYS 13 HA LYS 13 1.036 3.348 4.087 107 HB2 LYS 13 1HB LYS 13 -0.647 2.358 5.486 108 HB3 LYS 13 2HB LYS 13 0.512 2.082 6.774 109 HG2 LYS 13 1HG LYS 13 0.762 4.618 6.866 110 HG3 LYS 13 2HG LYS 13 -0.698 4.670 5.873 111 HD2 LYS 13 1HD LYS 13 -1.380 4.868 8.151 112 HD3 LYS 13 2HD LYS 13 -1.817 3.246 7.610 113 HE2 LYS 13 1HE LYS 13 0.446 2.530 8.612 114 HE3 LYS 13 2HE LYS 13 0.425 4.090 9.427 115 HZ1 LYS 13 3HZ LYS 13 -1.633 3.500 10.492 116 HZ2 LYS 13 1HZ LYS 13 -0.481 2.289 10.787 117 HZ3 LYS 13 2HZ LYS 13 -1.705 2.032 9.640 118 H GLU 14 H GLU 14 2.990 2.012 6.710 119 HA GLU 14 HA GLU 14 4.003 4.541 7.523 120 HB2 GLU 14 1HB GLU 14 4.978 1.751 8.131 121 HB3 GLU 14 2HB GLU 14 5.540 3.214 8.934 122 HG2 GLU 14 1HG GLU 14 3.205 3.632 9.668 123 HG3 GLU 14 2HG GLU 14 2.757 2.070 8.984 124 H PHE 15 H PHE 15 4.956 2.220 5.141 125 HA PHE 15 HA PHE 15 7.652 3.165 4.892 126 HB2 PHE 15 1HB PHE 15 6.900 0.847 4.360 127 HB3 PHE 15 2HB PHE 15 6.001 1.487 2.994 128 HD1 PHE 15 HD1 PHE 15 9.457 1.963 4.322 129 HD2 PHE 15 HD2 PHE 15 7.003 0.960 0.998 130 HE1 PHE 15 HE1 PHE 15 11.465 1.694 2.929 131 HE2 PHE 15 HE2 PHE 15 9.007 0.692 -0.404 132 HZ PHE 15 HZ PHE 15 11.241 1.061 0.559 133 H VAL 16 H VAL 16 4.582 4.133 3.725 134 HA VAL 16 HA VAL 16 5.755 5.802 1.637 135 HB VAL 16 HB VAL 16 2.853 5.427 2.405 136 HG11 VAL 16 1HG1 VAL 16 2.352 6.583 0.302 137 HG12 VAL 16 2HG1 VAL 16 4.075 6.880 0.060 138 HG13 VAL 16 3HG1 VAL 16 3.236 7.620 1.423 139 HG21 VAL 16 3HG2 VAL 16 3.797 3.412 1.453 140 HG22 VAL 16 1HG2 VAL 16 4.449 4.328 0.096 141 HG23 VAL 16 2HG2 VAL 16 2.704 4.169 0.294 142 H LYS 17 H LYS 17 3.865 6.118 4.629 143 HA LYS 17 HA LYS 17 3.922 8.999 4.464 144 HB2 LYS 17 1HB LYS 17 2.797 7.116 6.525 145 HB3 LYS 17 2HB LYS 17 2.706 8.864 6.656 146 HG2 LYS 17 1HG LYS 17 1.519 7.218 4.433 147 HG3 LYS 17 2HG LYS 17 0.631 7.887 5.801 148 HD2 LYS 17 1HD LYS 17 2.067 9.429 3.641 149 HD3 LYS 17 2HD LYS 17 0.327 9.320 3.884 150 HE2 LYS 17 1HE LYS 17 2.260 10.511 5.864 151 HE3 LYS 17 2HE LYS 17 1.317 11.444 4.704 152 HZ1 LYS 17 3HZ LYS 17 0.011 9.627 6.648 153 HZ2 LYS 17 1HZ LYS 17 -0.667 10.923 5.788 154 HZ3 LYS 17 2HZ LYS 17 0.415 11.220 7.058 155 H ARG 18 H ARG 18 5.280 6.581 6.706 156 HA ARG 18 HA ARG 18 6.524 8.719 8.236 157 HB2 ARG 18 1HB ARG 18 6.599 5.734 8.706 158 HB3 ARG 18 2HB ARG 18 7.109 6.982 9.837 159 HG2 ARG 18 1HG ARG 18 4.809 7.813 9.953 160 HG3 ARG 18 2HG ARG 18 4.300 6.551 8.833 161 HD2 ARG 18 1HD ARG 18 3.758 5.637 10.890 162 HD3 ARG 18 2HD ARG 18 5.342 4.931 10.567 163 HE ARG 18 HE ARG 18 5.730 7.297 12.003 164 HH11 ARG 18 1HH1 ARG 18 4.520 4.039 12.459 165 HH12 ARG 18 2HH1 ARG 18 4.655 4.103 14.194 166 HH21 ARG 18 1HH2 ARG 18 5.962 7.358 14.272 167 HH22 ARG 18 2HH2 ARG 18 5.473 5.984 15.228 168 H HIS 19 H HIS 19 7.310 6.863 5.602 169 HA HIS 19 HA HIS 19 10.183 6.948 6.170 170 HB2 HIS 19 1HB HIS 19 8.510 5.285 4.322 171 HB3 HIS 19 2HB HIS 19 10.209 5.544 3.944 172 HD1 HIS 19 HD1 HIS 19 8.055 4.127 6.749 173 HD2 HIS 19 HD2 HIS 19 11.912 3.900 5.224 174 HE1 HIS 19 HE1 HIS 19 9.224 2.295 8.042 175 H GLN 20 H GLN 20 11.117 6.939 3.555 176 HA GLN 20 HA GLN 20 10.991 9.762 3.014 177 HB2 GLN 20 1HB GLN 20 12.565 7.468 1.872 178 HB3 GLN 20 2HB GLN 20 12.656 9.084 1.187 179 HG2 GLN 20 1HG GLN 20 13.273 8.420 4.054 180 HG3 GLN 20 2HG GLN 20 14.480 8.553 2.775 181 HE21 GLN 20 1HE2 GLN 20 14.853 10.559 1.826 182 HE22 GLN 20 2HE2 GLN 20 14.424 12.043 2.617 183 H ARG 21 H ARG 21 8.624 8.000 2.406 184 HA ARG 21 HA ARG 21 6.993 7.772 0.856 185 HB2 ARG 21 1HB ARG 21 8.474 9.945 -0.638 186 HB3 ARG 21 2HB ARG 21 6.839 9.407 -0.975 187 HG2 ARG 21 1HG ARG 21 6.164 10.165 1.275 188 HG3 ARG 21 2HG ARG 21 7.803 10.773 1.523 189 HD2 ARG 21 1HD ARG 21 5.818 11.674 -0.558 190 HD3 ARG 21 2HD ARG 21 6.413 12.596 0.819 191 HE ARG 21 HE ARG 21 8.685 12.241 -0.393 192 HH11 ARG 21 1HH1 ARG 21 5.577 12.902 -1.878 193 HH12 ARG 21 2HH1 ARG 21 6.268 13.676 -3.274 194 HH21 ARG 21 1HH2 ARG 21 9.596 13.212 -2.257 195 HH22 ARG 21 2HH2 ARG 21 8.547 13.819 -3.508 196 H ILE 22 H ILE 22 6.709 7.437 -1.697 197 HA ILE 22 HA ILE 22 8.940 6.285 -3.034 198 HB ILE 22 HB ILE 22 8.489 4.548 -1.313 199 HG12 ILE 22 1HG1 ILE 22 7.764 3.539 -4.065 200 HG13 ILE 22 2HG1 ILE 22 9.398 4.020 -3.613 201 HG21 ILE 22 1HG2 ILE 22 6.458 3.190 -1.464 202 HG22 ILE 22 2HG2 ILE 22 5.830 4.276 -2.703 203 HG23 ILE 22 3HG2 ILE 22 6.096 4.870 -1.065 204 HD11 ILE 22 3HD1 ILE 22 7.782 1.829 -2.337 205 HD12 ILE 22 1HD1 ILE 22 9.412 2.316 -1.871 206 HD13 ILE 22 2HD1 ILE 22 9.122 1.618 -3.466 207 H THR 23 H THR 23 8.410 5.660 -5.187 208 HA THR 23 HA THR 23 6.135 7.006 -6.278 209 HB THR 23 HB THR 23 6.921 6.125 -8.453 210 HG1 THR 23 HG1 THR 23 9.251 5.050 -7.385 211 HG21 THR 23 3HG2 THR 23 7.909 8.180 -7.633 212 HG22 THR 23 1HG2 THR 23 9.140 7.220 -8.453 213 HG23 THR 23 2HG2 THR 23 9.090 7.271 -6.689 214 H GLN 24 H GLN 24 4.478 5.985 -7.597 215 HA GLN 24 HA GLN 24 3.238 3.790 -6.325 216 HB2 GLN 24 1HB GLN 24 1.968 5.464 -7.567 217 HB3 GLN 24 2HB GLN 24 2.769 4.993 -9.059 218 HG2 GLN 24 1HG GLN 24 1.719 2.785 -8.920 219 HG3 GLN 24 2HG GLN 24 0.899 3.276 -7.436 220 HE21 GLN 24 1HE2 GLN 24 -1.137 2.952 -8.377 221 HE22 GLN 24 2HE2 GLN 24 -1.779 4.059 -9.545 222 H GLU 25 H GLU 25 5.340 4.050 -9.103 223 HA GLU 25 HA GLU 25 5.033 1.489 -10.198 224 HB2 GLU 25 1HB GLU 25 6.221 3.411 -11.260 225 HB3 GLU 25 2HB GLU 25 7.539 3.179 -10.119 226 HG2 GLU 25 1HG GLU 25 7.882 0.913 -11.025 227 HG3 GLU 25 2HG GLU 25 6.617 1.227 -12.214 228 H GLU 26 H GLU 26 7.511 2.709 -7.948 229 HA GLU 26 HA GLU 26 8.624 0.130 -7.491 230 HB2 GLU 26 1HB GLU 26 8.926 2.698 -5.931 231 HB3 GLU 26 2HB GLU 26 9.911 1.259 -5.712 232 HG2 GLU 26 1HG GLU 26 10.818 1.466 -7.914 233 HG3 GLU 26 2HG GLU 26 9.711 2.783 -8.295 234 H LEU 27 H LEU 27 6.089 1.995 -6.028 235 HA LEU 27 HA LEU 27 5.854 0.610 -3.593 236 HB2 LEU 27 1HB LEU 27 4.709 2.756 -4.191 237 HB3 LEU 27 2HB LEU 27 3.633 1.845 -5.227 238 HG LEU 27 HG LEU 27 3.793 1.147 -2.312 239 HD11 LEU 27 1HD1 LEU 27 2.157 3.395 -3.490 240 HD12 LEU 27 2HD1 LEU 27 3.511 3.571 -2.373 241 HD13 LEU 27 3HD1 LEU 27 2.032 2.769 -1.845 242 HD21 LEU 27 3HD2 LEU 27 1.590 1.071 -4.384 243 HD22 LEU 27 1HD2 LEU 27 1.431 0.561 -2.704 244 HD23 LEU 27 2HD2 LEU 27 2.513 -0.311 -3.790 245 H HIS 28 H HIS 28 4.442 0.012 -6.798 246 HA HIS 28 HA HIS 28 2.957 -2.267 -6.011 247 HB2 HIS 28 1HB HIS 28 2.622 -0.949 -8.149 248 HB3 HIS 28 2HB HIS 28 4.059 -1.749 -8.779 249 HD1 HIS 28 HD1 HIS 28 3.812 -4.574 -8.542 250 HD2 HIS 28 HD2 HIS 28 0.371 -2.253 -8.797 251 HE1 HIS 28 HE1 HIS 28 1.936 -6.153 -9.119 252 H GLN 29 H GLN 29 6.226 -1.805 -7.216 253 HA GLN 29 HA GLN 29 6.967 -4.489 -7.540 254 HB2 GLN 29 1HB GLN 29 8.284 -2.482 -8.270 255 HB3 GLN 29 2HB GLN 29 8.722 -2.212 -6.590 256 HG2 GLN 29 1HG GLN 29 10.522 -3.307 -7.720 257 HG3 GLN 29 2HG GLN 29 9.813 -4.417 -6.548 258 HE21 GLN 29 1HE2 GLN 29 8.706 -6.221 -7.274 259 HE22 GLN 29 2HE2 GLN 29 8.791 -6.764 -8.918 260 H TYR 30 H TYR 30 6.940 -2.374 -4.745 261 HA TYR 30 HA TYR 30 8.068 -4.250 -2.910 262 HB2 TYR 30 1HB TYR 30 8.171 -1.785 -2.638 263 HB3 TYR 30 2HB TYR 30 6.431 -1.751 -2.412 264 HD1 TYR 30 HD1 TYR 30 9.425 -3.464 -0.942 265 HD2 TYR 30 HD2 TYR 30 5.663 -1.597 -0.255 266 HE1 TYR 30 HE1 TYR 30 9.750 -3.712 1.487 267 HE2 TYR 30 HE2 TYR 30 5.976 -1.838 2.167 268 HH TYR 30 HH TYR 30 8.945 -2.645 3.587 269 H ALA 31 H ALA 31 4.883 -3.543 -4.106 270 HA ALA 31 HA ALA 31 3.372 -4.696 -1.996 271 HB1 ALA 31 3HB ALA 31 2.416 -3.085 -3.564 272 HB2 ALA 31 1HB ALA 31 1.498 -4.593 -3.573 273 HB3 ALA 31 2HB ALA 31 2.625 -4.236 -4.884 274 H GLN 32 H GLN 32 4.205 -5.875 -5.245 275 HA GLN 32 HA GLN 32 3.113 -8.446 -4.951 276 HB2 GLN 32 1HB GLN 32 3.660 -7.558 -7.134 277 HB3 GLN 32 2HB GLN 32 5.360 -7.444 -6.708 278 HG2 GLN 32 1HG GLN 32 5.494 -9.869 -6.561 279 HG3 GLN 32 2HG GLN 32 3.787 -9.996 -6.973 280 HE21 GLN 32 1HE2 GLN 32 5.891 -7.631 -8.442 281 HE22 GLN 32 2HE2 GLN 32 5.923 -8.357 -10.010 282 H ARG 33 H ARG 33 6.245 -7.133 -4.082 283 HA ARG 33 HA ARG 33 7.617 -9.546 -3.673 284 HB2 ARG 33 1HB ARG 33 8.583 -7.196 -3.745 285 HB3 ARG 33 2HB ARG 33 8.036 -7.016 -2.084 286 HG2 ARG 33 1HG ARG 33 9.425 -8.976 -1.473 287 HG3 ARG 33 2HG ARG 33 10.047 -8.997 -3.124 288 HD2 ARG 33 1HD ARG 33 10.379 -6.852 -1.043 289 HD3 ARG 33 2HD ARG 33 11.634 -7.832 -1.795 290 HE ARG 33 HE ARG 33 10.314 -5.497 -2.911 291 HH11 ARG 33 1HH1 ARG 33 12.423 -8.232 -3.485 292 HH12 ARG 33 2HH1 ARG 33 13.169 -7.518 -4.882 293 HH21 ARG 33 1HH2 ARG 33 11.293 -4.550 -4.722 294 HH22 ARG 33 2HH2 ARG 33 12.512 -5.425 -5.606 295 H LEU 34 H LEU 34 5.470 -7.682 -1.607 296 HA LEU 34 HA LEU 34 6.027 -9.400 0.668 297 HB2 LEU 34 1HB LEU 34 4.266 -6.972 0.396 298 HB3 LEU 34 2HB LEU 34 4.534 -7.851 1.887 299 HG LEU 34 HG LEU 34 6.656 -6.398 0.311 300 HD11 LEU 34 1HD1 LEU 34 6.649 -4.818 2.154 301 HD12 LEU 34 2HD1 LEU 34 5.351 -5.715 2.938 302 HD13 LEU 34 3HD1 LEU 34 5.058 -4.903 1.401 303 HD21 LEU 34 3HD2 LEU 34 8.093 -6.852 2.232 304 HD22 LEU 34 1HD2 LEU 34 7.541 -8.350 1.484 305 HD23 LEU 34 2HD2 LEU 34 6.802 -7.790 2.985 306 H GLY 35 H GLY 35 3.542 -8.951 -1.742 307 HA2 GLY 35 1HA GLY 35 2.246 -11.046 -2.077 308 HA3 GLY 35 2HA GLY 35 1.996 -11.054 -0.342 309 H LEU 36 H LEU 36 1.708 -8.300 -2.596 310 HA LEU 36 HA LEU 36 -1.069 -8.071 -1.667 311 HB2 LEU 36 1HB LEU 36 0.642 -5.966 -2.981 312 HB3 LEU 36 2HB LEU 36 -0.983 -5.746 -2.357 313 HG LEU 36 HG LEU 36 1.487 -6.339 -0.731 314 HD11 LEU 36 1HD1 LEU 36 1.068 -4.122 0.225 315 HD12 LEU 36 2HD1 LEU 36 -0.291 -3.903 -0.876 316 HD13 LEU 36 3HD1 LEU 36 1.348 -4.033 -1.514 317 HD21 LEU 36 3HD2 LEU 36 -1.358 -5.941 0.191 318 HD22 LEU 36 1HD2 LEU 36 0.053 -6.164 1.224 319 HD23 LEU 36 2HD2 LEU 36 -0.493 -7.477 0.181 320 H ASN 37 H ASN 37 -2.691 -8.312 -2.992 321 HA ASN 37 HA ASN 37 -2.258 -8.492 -5.864 322 HB2 ASN 37 1HB ASN 37 -4.775 -8.982 -5.865 323 HB3 ASN 37 2HB ASN 37 -3.734 -10.179 -5.108 324 HD21 ASN 37 1HD2 ASN 37 -4.480 -7.162 -3.503 325 HD22 ASN 37 2HD2 ASN 37 -5.500 -7.853 -2.280 326 H GLU 38 H GLU 38 -3.782 -7.220 -7.299 327 HA GLU 38 HA GLU 38 -3.339 -4.487 -6.775 328 HB2 GLU 38 1HB GLU 38 -5.179 -5.757 -8.809 329 HB3 GLU 38 2HB GLU 38 -4.709 -4.063 -8.792 330 HG2 GLU 38 1HG GLU 38 -2.352 -4.760 -9.060 331 HG3 GLU 38 2HG GLU 38 -2.899 -6.431 -9.200 332 H GLU 39 H GLU 39 -5.968 -6.545 -5.928 333 HA GLU 39 HA GLU 39 -8.077 -4.782 -5.575 334 HB2 GLU 39 1HB GLU 39 -8.182 -7.222 -5.247 335 HB3 GLU 39 2HB GLU 39 -7.233 -7.057 -3.776 336 HG2 GLU 39 1HG GLU 39 -9.553 -7.338 -3.226 337 HG3 GLU 39 2HG GLU 39 -9.039 -5.707 -2.796 338 H ALA 40 H ALA 40 -5.624 -5.720 -3.210 339 HA ALA 40 HA ALA 40 -6.361 -3.866 -1.215 340 HB1 ALA 40 3HB ALA 40 -5.035 -5.915 -0.804 341 HB2 ALA 40 1HB ALA 40 -4.283 -4.467 -0.139 342 HB3 ALA 40 2HB ALA 40 -3.673 -5.169 -1.637 343 H ILE 41 H ILE 41 -4.141 -3.740 -3.906 344 HA ILE 41 HA ILE 41 -2.717 -1.430 -3.119 345 HB ILE 41 HB ILE 41 -3.139 -2.490 -5.920 346 HG12 ILE 41 1HG1 ILE 41 -0.976 -3.144 -3.901 347 HG13 ILE 41 2HG1 ILE 41 -2.278 -4.227 -4.393 348 HG21 ILE 41 1HG2 ILE 41 -2.231 -0.240 -5.890 349 HG22 ILE 41 2HG2 ILE 41 -0.995 -1.389 -6.394 350 HG23 ILE 41 3HG2 ILE 41 -0.976 -0.742 -4.755 351 HD11 ILE 41 3HD1 ILE 41 -0.192 -4.797 -5.490 352 HD12 ILE 41 1HD1 ILE 41 -0.085 -3.174 -6.170 353 HD13 ILE 41 2HD1 ILE 41 -1.388 -4.255 -6.666 354 H ARG 42 H ARG 42 -5.413 -1.909 -5.389 355 HA ARG 42 HA ARG 42 -5.680 0.818 -6.076 356 HB2 ARG 42 1HB ARG 42 -6.619 -1.112 -7.379 357 HB3 ARG 42 2HB ARG 42 -7.846 -1.290 -6.136 358 HG2 ARG 42 1HG ARG 42 -8.597 1.008 -6.611 359 HG3 ARG 42 2HG ARG 42 -7.417 1.084 -7.919 360 HD2 ARG 42 1HD ARG 42 -9.741 -0.810 -7.691 361 HD3 ARG 42 2HD ARG 42 -9.586 0.537 -8.816 362 HE ARG 42 HE ARG 42 -8.110 -1.997 -8.921 363 HH11 ARG 42 1HH1 ARG 42 -8.894 1.083 -10.364 364 HH12 ARG 42 2HH1 ARG 42 -8.408 0.610 -11.962 365 HH21 ARG 42 1HH2 ARG 42 -7.433 -2.629 -11.009 366 HH22 ARG 42 2HH2 ARG 42 -7.577 -1.507 -12.332 367 H GLN 43 H GLN 43 -7.247 -1.224 -3.654 368 HA GLN 43 HA GLN 43 -9.096 0.713 -2.738 369 HB2 GLN 43 1HB GLN 43 -9.152 -1.804 -2.338 370 HB3 GLN 43 2HB GLN 43 -7.945 -1.540 -1.087 371 HG2 GLN 43 1HG GLN 43 -9.542 0.022 0.019 372 HG3 GLN 43 2HG GLN 43 -10.751 -0.456 -1.171 373 HE21 GLN 43 1HE2 GLN 43 -8.967 -1.387 1.630 374 HE22 GLN 43 2HE2 GLN 43 -9.851 -2.833 1.976 375 H PHE 44 H PHE 44 -5.729 0.291 -2.237 376 HA PHE 44 HA PHE 44 -5.621 1.764 0.247 377 HB2 PHE 44 1HB PHE 44 -4.001 -0.097 -0.589 378 HB3 PHE 44 2HB PHE 44 -3.249 1.199 -1.515 379 HD1 PHE 44 HD1 PHE 44 -3.890 -0.144 1.814 380 HD2 PHE 44 HD2 PHE 44 -2.009 2.957 -0.408 381 HE1 PHE 44 HE1 PHE 44 -2.602 0.489 3.807 382 HE2 PHE 44 HE2 PHE 44 -0.711 3.598 1.585 383 HZ PHE 44 HZ PHE 44 -1.013 2.363 3.695 384 H PHE 45 H PHE 45 -5.069 2.359 -3.183 385 HA PHE 45 HA PHE 45 -4.069 5.018 -2.733 386 HB2 PHE 45 1HB PHE 45 -4.708 3.412 -5.180 387 HB3 PHE 45 2HB PHE 45 -4.460 5.150 -5.309 388 HD1 PHE 45 HD1 PHE 45 -2.283 5.942 -3.908 389 HD2 PHE 45 HD2 PHE 45 -2.894 2.112 -5.652 390 HE1 PHE 45 HE1 PHE 45 0.152 5.606 -4.009 391 HE2 PHE 45 HE2 PHE 45 -0.460 1.770 -5.756 392 HZ PHE 45 HZ PHE 45 1.066 3.516 -4.933 393 H GLU 46 H GLU 46 -7.050 3.735 -4.255 394 HA GLU 46 HA GLU 46 -8.082 6.362 -4.638 395 HB2 GLU 46 1HB GLU 46 -9.966 5.360 -5.628 396 HB3 GLU 46 2HB GLU 46 -8.622 4.312 -6.030 397 HG2 GLU 46 1HG GLU 46 -9.298 2.713 -4.373 398 HG3 GLU 46 2HG GLU 46 -10.583 3.788 -3.820 399 H GLU 47 H GLU 47 -8.817 3.778 -2.347 400 HA GLU 47 HA GLU 47 -10.529 5.620 -0.853 401 HB2 GLU 47 1HB GLU 47 -10.132 2.644 -0.708 402 HB3 GLU 47 2HB GLU 47 -11.019 3.530 0.525 403 HG2 GLU 47 1HG GLU 47 -12.492 4.378 -1.348 404 HG3 GLU 47 2HG GLU 47 -11.710 3.172 -2.371 405 H PHE 48 H PHE 48 -7.838 6.224 -0.813 406 HA PHE 48 HA PHE 48 -6.450 5.152 1.392 407 HB2 PHE 48 1HB PHE 48 -5.416 6.496 -0.443 408 HB3 PHE 48 2HB PHE 48 -6.184 7.930 0.225 409 HD1 PHE 48 HD1 PHE 48 -3.860 5.176 1.147 410 HD2 PHE 48 HD2 PHE 48 -5.080 9.201 1.817 411 HE1 PHE 48 HE1 PHE 48 -1.937 5.503 2.648 412 HE2 PHE 48 HE2 PHE 48 -3.158 9.535 3.321 413 HZ PHE 48 HZ PHE 48 -1.586 7.684 3.737 414 H GLU 49 H GLU 49 -8.270 8.204 1.085 415 HA GLU 49 HA GLU 49 -8.296 8.388 4.028 416 HB2 GLU 49 1HB GLU 49 -8.637 10.803 3.704 417 HB3 GLU 49 2HB GLU 49 -7.168 10.239 2.913 418 HG2 GLU 49 1HG GLU 49 -8.322 10.193 0.771 419 HG3 GLU 49 2HG GLU 49 -9.805 10.736 1.552 420 H GLN 50 H GLN 50 -10.271 7.596 1.480 421 HA GLN 50 HA GLN 50 -12.662 8.959 2.447 422 HB2 GLN 50 1HB GLN 50 -12.359 7.060 0.117 423 HB3 GLN 50 2HB GLN 50 -13.725 8.122 0.441 424 HG2 GLN 50 1HG GLN 50 -12.279 10.067 0.122 425 HG3 GLN 50 2HG GLN 50 -10.919 8.999 -0.223 426 HE21 GLN 50 1HE2 GLN 50 -11.061 7.654 -2.142 427 HE22 GLN 50 2HE2 GLN 50 -12.018 8.188 -3.481 428 H ARG 51 H ARG 51 -11.311 6.809 3.938 429 HA ARG 51 HA ARG 51 -12.988 4.477 3.750 430 HB2 ARG 51 1HB ARG 51 -10.742 5.252 5.592 431 HB3 ARG 51 2HB ARG 51 -11.608 3.727 5.736 432 HG2 ARG 51 1HG ARG 51 -10.851 2.997 3.636 433 HG3 ARG 51 2HG ARG 51 -10.281 4.610 3.202 434 HD2 ARG 51 1HD ARG 51 -8.560 4.490 4.887 435 HD3 ARG 51 2HD ARG 51 -9.157 2.916 5.426 436 HE ARG 51 HE ARG 51 -8.556 2.811 2.676 437 HH11 ARG 51 1HH1 ARG 51 -6.981 2.983 5.796 438 HH12 ARG 51 2HH1 ARG 51 -5.508 2.235 5.245 439 HH21 ARG 51 1HH2 ARG 51 -6.622 1.804 1.948 440 HH22 ARG 51 2HH2 ARG 51 -5.312 1.572 3.060 441 H LYS 52 H LYS 52 -14.757 6.393 4.251 442 HA LYS 52 HA LYS 52 -15.781 5.435 6.803 443 HB2 LYS 52 1HB LYS 52 -15.760 8.374 6.065 444 HB3 LYS 52 2HB LYS 52 -16.696 7.686 7.382 445 HG2 LYS 52 1HG LYS 52 -14.476 6.883 8.335 446 HG3 LYS 52 2HG LYS 52 -13.716 7.951 7.155 447 HD2 LYS 52 1HD LYS 52 -13.929 9.103 9.270 448 HD3 LYS 52 2HD LYS 52 -15.012 9.841 8.085 449 HE2 LYS 52 1HE LYS 52 -16.889 8.591 9.009 450 HE3 LYS 52 2HE LYS 52 -15.813 7.814 10.171 451 HZ1 LYS 52 3HZ LYS 52 -16.355 10.737 10.027 452 HZ2 LYS 52 1HZ LYS 52 -15.373 9.958 11.171 453 HZ3 LYS 52 2HZ LYS 52 -17.042 9.669 11.149 Start of MODEL 12 1 H1 MET 1 1H MET 1 -2.730 -18.245 -1.506 2 H2 MET 1 2H MET 1 -2.421 -16.604 -1.224 3 H3 MET 1 3H MET 1 -3.803 -17.329 -0.565 4 HA MET 1 HA MET 1 -2.422 -18.762 0.799 5 HB2 MET 1 1HB MET 1 -0.426 -18.752 -0.659 6 HB3 MET 1 2HB MET 1 -0.175 -17.049 -0.301 7 HG2 MET 1 1HG MET 1 1.336 -18.421 0.991 8 HG3 MET 1 2HG MET 1 0.195 -17.593 2.049 9 HE1 MET 1 3HE MET 1 1.229 -20.991 0.409 10 HE2 MET 1 1HE MET 1 -0.408 -20.774 -0.204 11 HE3 MET 1 2HE MET 1 -0.064 -22.065 0.944 12 H LYS 2 H LYS 2 -1.373 -15.406 0.261 13 HA LYS 2 HA LYS 2 -2.955 -14.433 2.435 14 HB2 LYS 2 1HB LYS 2 -0.881 -15.445 3.529 15 HB3 LYS 2 2HB LYS 2 0.040 -14.179 2.732 16 HG2 LYS 2 1HG LYS 2 -1.171 -12.479 3.934 17 HG3 LYS 2 2HG LYS 2 -2.226 -13.695 4.657 18 HD2 LYS 2 1HD LYS 2 0.755 -13.449 5.068 19 HD3 LYS 2 2HD LYS 2 -0.494 -12.999 6.230 20 HE2 LYS 2 1HE LYS 2 -1.255 -15.339 6.287 21 HE3 LYS 2 2HE LYS 2 0.031 -15.771 5.160 22 HZ1 LYS 2 3HZ LYS 2 1.653 -15.000 6.814 23 HZ2 LYS 2 1HZ LYS 2 0.701 -16.279 7.395 24 HZ3 LYS 2 2HZ LYS 2 0.390 -14.692 7.906 25 H GLN 3 H GLN 3 -3.671 -12.570 1.673 26 HA GLN 3 HA GLN 3 -1.982 -11.104 -0.257 27 HB2 GLN 3 1HB GLN 3 -5.004 -11.284 -0.168 28 HB3 GLN 3 2HB GLN 3 -4.070 -10.353 -1.327 29 HG2 GLN 3 1HG GLN 3 -3.894 -13.342 -1.049 30 HG3 GLN 3 2HG GLN 3 -4.965 -12.515 -2.177 31 HE21 GLN 3 1HE2 GLN 3 -3.993 -13.377 -3.980 32 HE22 GLN 3 2HE2 GLN 3 -2.407 -12.919 -4.508 33 H TRP 4 H TRP 4 -1.588 -8.961 0.210 34 HA TRP 4 HA TRP 4 -1.693 -6.902 1.282 35 HB2 TRP 4 1HB TRP 4 -4.217 -7.296 0.751 36 HB3 TRP 4 2HB TRP 4 -4.270 -7.758 2.443 37 HD1 TRP 4 HD1 TRP 4 -5.548 -5.903 3.608 38 HE1 TRP 4 HE1 TRP 4 -5.394 -3.342 3.735 39 HE3 TRP 4 HE3 TRP 4 -1.935 -5.130 0.089 40 HZ2 TRP 4 HZ2 TRP 4 -3.929 -1.273 2.512 41 HZ3 TRP 4 HZ3 TRP 4 -1.212 -2.831 -0.377 42 HH2 TRP 4 HH2 TRP 4 -2.196 -0.940 0.810 43 H SER 5 H SER 5 -1.253 -9.586 2.394 44 HA SER 5 HA SER 5 -1.339 -10.550 4.676 45 HB2 SER 5 1HB SER 5 1.298 -9.366 3.810 46 HB3 SER 5 2HB SER 5 1.099 -10.673 4.981 47 HG SER 5 HG SER 5 1.229 -10.863 2.345 48 H GLU 6 H GLU 6 -1.366 -10.255 6.799 49 HA GLU 6 HA GLU 6 -2.166 -8.092 8.095 50 HB2 GLU 6 1HB GLU 6 -1.763 -10.376 9.049 51 HB3 GLU 6 2HB GLU 6 -0.078 -9.934 9.271 52 HG2 GLU 6 1HG GLU 6 -2.260 -8.294 10.493 53 HG3 GLU 6 2HG GLU 6 -1.709 -9.780 11.261 54 H ASN 7 H ASN 7 1.324 -8.781 7.800 55 HA ASN 7 HA ASN 7 2.261 -6.488 9.090 56 HB2 ASN 7 1HB ASN 7 3.522 -8.147 6.928 57 HB3 ASN 7 2HB ASN 7 4.384 -6.915 7.842 58 HD21 ASN 7 1HD2 ASN 7 4.784 -7.252 10.048 59 HD22 ASN 7 2HD2 ASN 7 4.740 -8.845 10.736 60 H VAL 8 H VAL 8 1.285 -6.976 5.778 61 HA VAL 8 HA VAL 8 2.554 -4.800 4.553 62 HB VAL 8 HB VAL 8 -0.093 -6.129 3.822 63 HG11 VAL 8 1HG1 VAL 8 0.133 -3.896 2.845 64 HG12 VAL 8 2HG1 VAL 8 0.255 -5.155 1.616 65 HG13 VAL 8 3HG1 VAL 8 1.709 -4.333 2.185 66 HG21 VAL 8 3HG2 VAL 8 1.269 -7.369 2.210 67 HG22 VAL 8 1HG2 VAL 8 1.819 -7.662 3.859 68 HG23 VAL 8 2HG2 VAL 8 2.726 -6.576 2.808 69 H GLU 9 H GLU 9 -0.739 -5.091 5.836 70 HA GLU 9 HA GLU 9 -1.730 -2.607 5.281 71 HB2 GLU 9 1HB GLU 9 -2.166 -4.545 7.507 72 HB3 GLU 9 2HB GLU 9 -2.947 -2.965 7.594 73 HG2 GLU 9 1HG GLU 9 -3.912 -3.423 5.345 74 HG3 GLU 9 2HG GLU 9 -3.240 -5.047 5.445 75 H GLU 10 H GLU 10 0.153 -3.518 8.140 76 HA GLU 10 HA GLU 10 0.297 -0.895 9.215 77 HB2 GLU 10 1HB GLU 10 0.680 -2.682 10.727 78 HB3 GLU 10 2HB GLU 10 1.890 -3.412 9.680 79 HG2 GLU 10 1HG GLU 10 3.370 -1.485 10.100 80 HG3 GLU 10 2HG GLU 10 2.174 -0.841 11.225 81 H LYS 11 H LYS 11 2.799 -2.874 7.602 82 HA LYS 11 HA LYS 11 4.722 -0.829 7.800 83 HB2 LYS 11 1HB LYS 11 5.377 -3.140 7.728 84 HB3 LYS 11 2HB LYS 11 4.710 -3.313 6.108 85 HG2 LYS 11 1HG LYS 11 6.458 -2.248 5.122 86 HG3 LYS 11 2HG LYS 11 6.762 -1.221 6.518 87 HD2 LYS 11 1HD LYS 11 8.545 -2.911 6.081 88 HD3 LYS 11 2HD LYS 11 7.839 -2.993 7.693 89 HE2 LYS 11 1HE LYS 11 6.353 -4.830 6.832 90 HE3 LYS 11 2HE LYS 11 7.311 -4.813 5.350 91 HZ1 LYS 11 3HZ LYS 11 9.227 -5.487 6.515 92 HZ2 LYS 11 1HZ LYS 11 7.984 -6.494 7.083 93 HZ3 LYS 11 2HZ LYS 11 8.525 -5.190 8.030 94 H LEU 12 H LEU 12 2.530 -1.671 5.144 95 HA LEU 12 HA LEU 12 3.884 -0.016 3.255 96 HB2 LEU 12 1HB LEU 12 2.316 -1.807 2.590 97 HB3 LEU 12 2HB LEU 12 0.988 -0.863 3.246 98 HG LEU 12 HG LEU 12 1.442 0.911 1.598 99 HD11 LEU 12 1HD1 LEU 12 3.838 0.535 1.300 100 HD12 LEU 12 2HD1 LEU 12 2.989 0.505 -0.246 101 HD13 LEU 12 3HD1 LEU 12 3.500 -1.005 0.509 102 HD21 LEU 12 3HD2 LEU 12 -0.191 -0.813 1.069 103 HD22 LEU 12 1HD2 LEU 12 1.088 -1.832 0.400 104 HD23 LEU 12 2HD2 LEU 12 0.674 -0.304 -0.382 105 H LYS 13 H LYS 13 1.079 0.477 5.378 106 HA LYS 13 HA LYS 13 0.524 3.141 4.851 107 HB2 LYS 13 1HB LYS 13 -0.896 2.051 6.370 108 HB3 LYS 13 2HB LYS 13 0.443 1.469 7.346 109 HG2 LYS 13 1HG LYS 13 0.828 3.998 7.821 110 HG3 LYS 13 2HG LYS 13 -0.855 4.149 7.310 111 HD2 LYS 13 1HD LYS 13 -1.575 2.611 9.001 112 HD3 LYS 13 2HD LYS 13 0.095 2.226 9.430 113 HE2 LYS 13 1HE LYS 13 -0.737 3.721 11.087 114 HE3 LYS 13 2HE LYS 13 0.388 4.632 10.080 115 HZ1 LYS 13 3HZ LYS 13 -2.581 4.727 10.022 116 HZ2 LYS 13 1HZ LYS 13 -1.609 5.437 8.830 117 HZ3 LYS 13 2HZ LYS 13 -1.515 5.976 10.432 118 H GLU 14 H GLU 14 2.865 1.784 7.100 119 HA GLU 14 HA GLU 14 3.914 4.248 8.009 120 HB2 GLU 14 1HB GLU 14 5.192 1.513 7.987 121 HB3 GLU 14 2HB GLU 14 5.668 2.876 8.997 122 HG2 GLU 14 1HG GLU 14 2.929 1.649 9.081 123 HG3 GLU 14 2HG GLU 14 4.266 1.107 10.107 124 H PHE 15 H PHE 15 4.607 2.288 5.225 125 HA PHE 15 HA PHE 15 7.247 3.319 4.855 126 HB2 PHE 15 1HB PHE 15 6.371 1.031 4.201 127 HB3 PHE 15 2HB PHE 15 5.525 1.823 2.885 128 HD1 PHE 15 HD1 PHE 15 8.937 2.527 4.162 129 HD2 PHE 15 HD2 PHE 15 6.577 0.928 1.009 130 HE1 PHE 15 HE1 PHE 15 10.960 2.268 2.792 131 HE2 PHE 15 HE2 PHE 15 8.596 0.660 -0.369 132 HZ PHE 15 HZ PHE 15 10.791 1.336 0.519 133 H VAL 16 H VAL 16 4.033 4.049 3.668 134 HA VAL 16 HA VAL 16 5.027 5.986 1.751 135 HB VAL 16 HB VAL 16 2.179 5.474 2.636 136 HG11 VAL 16 1HG1 VAL 16 2.473 7.662 1.614 137 HG12 VAL 16 2HG1 VAL 16 1.563 6.590 0.547 138 HG13 VAL 16 3HG1 VAL 16 3.266 6.920 0.222 139 HG21 VAL 16 3HG2 VAL 16 3.173 3.469 1.662 140 HG22 VAL 16 1HG2 VAL 16 3.672 4.394 0.246 141 HG23 VAL 16 2HG2 VAL 16 1.956 4.158 0.588 142 H LYS 17 H LYS 17 3.681 5.917 4.975 143 HA LYS 17 HA LYS 17 3.323 8.794 5.086 144 HB2 LYS 17 1HB LYS 17 2.868 6.600 7.099 145 HB3 LYS 17 2HB LYS 17 2.632 8.302 7.458 146 HG2 LYS 17 1HG LYS 17 1.189 6.855 5.257 147 HG3 LYS 17 2HG LYS 17 0.565 7.034 6.900 148 HD2 LYS 17 1HD LYS 17 0.765 9.500 6.648 149 HD3 LYS 17 2HD LYS 17 1.253 9.254 4.972 150 HE2 LYS 17 1HE LYS 17 -0.895 8.194 4.498 151 HE3 LYS 17 2HE LYS 17 -1.385 8.411 6.177 152 HZ1 LYS 17 3HZ LYS 17 -0.855 10.535 4.177 153 HZ2 LYS 17 1HZ LYS 17 -1.098 10.835 5.830 154 HZ3 LYS 17 2HZ LYS 17 -2.340 10.144 4.906 155 H ARG 18 H ARG 18 5.266 6.372 6.808 156 HA ARG 18 HA ARG 18 6.615 8.587 8.189 157 HB2 ARG 18 1HB ARG 18 6.078 5.729 8.984 158 HB3 ARG 18 2HB ARG 18 7.165 6.784 9.887 159 HG2 ARG 18 1HG ARG 18 5.411 8.270 10.453 160 HG3 ARG 18 2HG ARG 18 4.305 7.515 9.307 161 HD2 ARG 18 1HD ARG 18 4.113 5.567 10.645 162 HD3 ARG 18 2HD ARG 18 5.466 6.057 11.672 163 HE ARG 18 HE ARG 18 3.716 8.080 12.016 164 HH11 ARG 18 1HH1 ARG 18 3.288 4.607 12.142 165 HH12 ARG 18 2HH1 ARG 18 2.044 4.685 13.358 166 HH21 ARG 18 1HH2 ARG 18 2.118 8.177 13.627 167 HH22 ARG 18 2HH2 ARG 18 1.401 6.711 14.218 168 H HIS 19 H HIS 19 7.131 6.600 5.675 169 HA HIS 19 HA HIS 19 10.021 6.627 6.164 170 HB2 HIS 19 1HB HIS 19 8.392 4.630 4.603 171 HB3 HIS 19 2HB HIS 19 10.137 4.772 4.431 172 HD1 HIS 19 HD1 HIS 19 7.514 3.770 6.975 173 HD2 HIS 19 HD2 HIS 19 11.621 3.576 6.386 174 HE1 HIS 19 HE1 HIS 19 8.414 2.230 8.767 175 H GLN 20 H GLN 20 9.073 8.882 5.364 176 HA GLN 20 HA GLN 20 9.325 10.531 3.861 177 HB2 GLN 20 1HB GLN 20 10.676 8.361 2.296 178 HB3 GLN 20 2HB GLN 20 10.460 9.973 1.636 179 HG2 GLN 20 1HG GLN 20 11.823 10.905 3.378 180 HG3 GLN 20 2HG GLN 20 11.902 9.344 4.199 181 HE21 GLN 20 1HE2 GLN 20 14.062 11.029 3.153 182 HE22 GLN 20 2HE2 GLN 20 14.927 10.042 2.016 183 H ARG 21 H ARG 21 8.519 7.717 1.868 184 HA ARG 21 HA ARG 21 6.012 7.894 1.109 185 HB2 ARG 21 1HB ARG 21 6.548 10.444 0.773 186 HB3 ARG 21 2HB ARG 21 7.305 9.914 -0.720 187 HG2 ARG 21 1HG ARG 21 5.215 8.993 -1.503 188 HG3 ARG 21 2HG ARG 21 4.435 9.394 0.026 189 HD2 ARG 21 1HD ARG 21 5.597 11.353 -1.949 190 HD3 ARG 21 2HD ARG 21 3.883 11.036 -1.688 191 HE ARG 21 HE ARG 21 5.600 12.104 0.456 192 HH11 ARG 21 1HH1 ARG 21 2.704 12.277 -1.509 193 HH12 ARG 21 2HH1 ARG 21 2.059 13.647 -0.648 194 HH21 ARG 21 1HH2 ARG 21 4.774 13.888 1.563 195 HH22 ARG 21 2HH2 ARG 21 3.245 14.573 1.098 196 H ILE 22 H ILE 22 5.700 7.282 -1.357 197 HA ILE 22 HA ILE 22 8.083 6.395 -2.703 198 HB ILE 22 HB ILE 22 7.792 4.584 -1.075 199 HG12 ILE 22 1HG1 ILE 22 6.995 3.679 -3.848 200 HG13 ILE 22 2HG1 ILE 22 8.637 4.107 -3.370 201 HG21 ILE 22 1HG2 ILE 22 5.416 4.758 -0.663 202 HG22 ILE 22 2HG2 ILE 22 5.818 3.118 -1.176 203 HG23 ILE 22 3HG2 ILE 22 5.065 4.237 -2.313 204 HD11 ILE 22 3HD1 ILE 22 7.002 1.876 -2.185 205 HD12 ILE 22 1HD1 ILE 22 8.668 2.285 -1.777 206 HD13 ILE 22 2HD1 ILE 22 8.279 1.693 -3.392 207 H THR 23 H THR 23 7.696 5.838 -4.887 208 HA THR 23 HA THR 23 5.215 6.892 -5.929 209 HB THR 23 HB THR 23 6.213 6.631 -8.127 210 HG1 THR 23 HG1 THR 23 8.537 5.521 -6.901 211 HG21 THR 23 3HG2 THR 23 8.134 8.092 -7.878 212 HG22 THR 23 1HG2 THR 23 8.262 7.677 -6.169 213 HG23 THR 23 2HG2 THR 23 6.865 8.581 -6.756 214 H GLN 24 H GLN 24 4.113 5.670 -7.735 215 HA GLN 24 HA GLN 24 3.081 3.282 -6.643 216 HB2 GLN 24 1HB GLN 24 1.767 4.808 -8.039 217 HB3 GLN 24 2HB GLN 24 2.776 4.415 -9.424 218 HG2 GLN 24 1HG GLN 24 2.008 2.119 -9.366 219 HG3 GLN 24 2HG GLN 24 1.041 2.459 -7.932 220 HE21 GLN 24 1HE2 GLN 24 1.366 4.744 -10.547 221 HE22 GLN 24 2HE2 GLN 24 -0.261 4.597 -11.130 222 H GLU 25 H GLU 25 5.428 3.881 -9.222 223 HA GLU 25 HA GLU 25 5.542 1.276 -10.272 224 HB2 GLU 25 1HB GLU 25 6.536 3.365 -11.267 225 HB3 GLU 25 2HB GLU 25 7.823 3.248 -10.078 226 HG2 GLU 25 1HG GLU 25 7.283 0.916 -11.846 227 HG3 GLU 25 2HG GLU 25 8.114 2.320 -12.511 228 H GLU 26 H GLU 26 7.607 2.855 -7.853 229 HA GLU 26 HA GLU 26 9.132 0.572 -7.206 230 HB2 GLU 26 1HB GLU 26 8.521 2.993 -5.499 231 HB3 GLU 26 2HB GLU 26 9.839 1.861 -5.244 232 HG2 GLU 26 1HG GLU 26 10.947 2.574 -7.214 233 HG3 GLU 26 2HG GLU 26 9.544 3.503 -7.743 234 H LEU 27 H LEU 27 6.152 1.921 -5.928 235 HA LEU 27 HA LEU 27 5.936 0.253 -3.661 236 HB2 LEU 27 1HB LEU 27 4.729 2.419 -4.067 237 HB3 LEU 27 2HB LEU 27 3.698 1.571 -5.199 238 HG LEU 27 HG LEU 27 3.877 0.611 -2.360 239 HD11 LEU 27 1HD1 LEU 27 3.444 3.013 -2.223 240 HD12 LEU 27 2HD1 LEU 27 2.012 2.082 -1.786 241 HD13 LEU 27 3HD1 LEU 27 2.118 2.844 -3.373 242 HD21 LEU 27 3HD2 LEU 27 2.694 -0.770 -4.004 243 HD22 LEU 27 1HD2 LEU 27 1.676 0.606 -4.437 244 HD23 LEU 27 2HD2 LEU 27 1.572 -0.098 -2.822 245 H HIS 28 H HIS 28 4.869 -0.101 -7.006 246 HA HIS 28 HA HIS 28 3.152 -2.304 -6.442 247 HB2 HIS 28 1HB HIS 28 3.319 -0.639 -8.544 248 HB3 HIS 28 2HB HIS 28 4.207 -2.020 -9.192 249 HD1 HIS 28 HD1 HIS 28 2.853 -4.373 -9.090 250 HD2 HIS 28 HD2 HIS 28 0.629 -0.898 -8.591 251 HE1 HIS 28 HE1 HIS 28 0.430 -5.048 -9.298 252 H GLN 29 H GLN 29 6.513 -2.003 -7.414 253 HA GLN 29 HA GLN 29 7.075 -4.728 -7.856 254 HB2 GLN 29 1HB GLN 29 8.579 -2.595 -8.096 255 HB3 GLN 29 2HB GLN 29 8.962 -2.872 -6.408 256 HG2 GLN 29 1HG GLN 29 9.497 -4.752 -8.701 257 HG3 GLN 29 2HG GLN 29 10.682 -3.783 -7.836 258 HE21 GLN 29 1HE2 GLN 29 8.836 -6.672 -7.876 259 HE22 GLN 29 2HE2 GLN 29 9.490 -7.375 -6.438 260 H TYR 30 H TYR 30 7.125 -2.722 -4.973 261 HA TYR 30 HA TYR 30 7.831 -4.669 -3.091 262 HB2 TYR 30 1HB TYR 30 7.723 -2.074 -2.968 263 HB3 TYR 30 2HB TYR 30 6.056 -2.324 -2.471 264 HD1 TYR 30 HD1 TYR 30 9.113 -4.266 -1.574 265 HD2 TYR 30 HD2 TYR 30 5.995 -1.696 -0.237 266 HE1 TYR 30 HE1 TYR 30 9.868 -4.562 0.747 267 HE2 TYR 30 HE2 TYR 30 6.747 -1.983 2.089 268 HH TYR 30 HH TYR 30 9.732 -3.374 2.905 269 H ALA 31 H ALA 31 4.769 -3.864 -4.574 270 HA ALA 31 HA ALA 31 2.997 -4.988 -2.725 271 HB1 ALA 31 3HB ALA 31 2.262 -3.567 -4.575 272 HB2 ALA 31 1HB ALA 31 1.392 -5.104 -4.572 273 HB3 ALA 31 2HB ALA 31 2.699 -4.831 -5.726 274 H GLN 32 H GLN 32 4.330 -6.460 -5.683 275 HA GLN 32 HA GLN 32 3.105 -8.992 -5.038 276 HB2 GLN 32 1HB GLN 32 5.061 -8.273 -7.230 277 HB3 GLN 32 2HB GLN 32 4.151 -9.773 -7.116 278 HG2 GLN 32 1HG GLN 32 2.056 -8.479 -7.292 279 HG3 GLN 32 2HG GLN 32 3.009 -7.011 -7.502 280 HE21 GLN 32 1HE2 GLN 32 4.126 -6.682 -9.429 281 HE22 GLN 32 2HE2 GLN 32 3.755 -7.591 -10.856 282 H ARG 33 H ARG 33 5.932 -7.420 -4.188 283 HA ARG 33 HA ARG 33 7.567 -9.764 -3.840 284 HB2 ARG 33 1HB ARG 33 8.409 -7.409 -4.303 285 HB3 ARG 33 2HB ARG 33 7.990 -7.029 -2.640 286 HG2 ARG 33 1HG ARG 33 9.574 -8.635 -1.816 287 HG3 ARG 33 2HG ARG 33 9.920 -9.189 -3.457 288 HD2 ARG 33 1HD ARG 33 10.728 -6.915 -4.006 289 HD3 ARG 33 2HD ARG 33 10.468 -6.448 -2.327 290 HE ARG 33 HE ARG 33 12.093 -8.449 -1.922 291 HH11 ARG 33 1HH1 ARG 33 12.247 -6.083 -4.503 292 HH12 ARG 33 2HH1 ARG 33 13.974 -6.187 -4.665 293 HH21 ARG 33 1HH2 ARG 33 14.368 -8.601 -2.152 294 HH22 ARG 33 2HH2 ARG 33 15.179 -7.606 -3.327 295 H LEU 34 H LEU 34 5.467 -7.740 -1.874 296 HA LEU 34 HA LEU 34 6.164 -9.142 0.567 297 HB2 LEU 34 1HB LEU 34 4.116 -7.004 -0.000 298 HB3 LEU 34 2HB LEU 34 4.364 -7.720 1.578 299 HG LEU 34 HG LEU 34 6.336 -6.048 0.028 300 HD11 LEU 34 1HD1 LEU 34 4.496 -4.829 1.099 301 HD12 LEU 34 2HD1 LEU 34 6.055 -4.473 1.840 302 HD13 LEU 34 3HD1 LEU 34 4.927 -5.562 2.645 303 HD21 LEU 34 3HD2 LEU 34 7.502 -7.833 1.224 304 HD22 LEU 34 1HD2 LEU 34 6.659 -7.396 2.710 305 HD23 LEU 34 2HD2 LEU 34 7.798 -6.267 1.976 306 H GLY 35 H GLY 35 3.594 -9.185 -1.817 307 HA2 GLY 35 1HA GLY 35 2.358 -11.335 -1.919 308 HA3 GLY 35 2HA GLY 35 2.234 -11.236 -0.172 309 H LEU 36 H LEU 36 1.707 -8.732 -2.659 310 HA LEU 36 HA LEU 36 -0.770 -8.114 -1.270 311 HB2 LEU 36 1HB LEU 36 0.547 -6.566 -3.499 312 HB3 LEU 36 2HB LEU 36 -0.823 -6.050 -2.534 313 HG LEU 36 HG LEU 36 2.065 -6.140 -1.775 314 HD11 LEU 36 1HD1 LEU 36 1.502 -4.011 -0.745 315 HD12 LEU 36 2HD1 LEU 36 -0.200 -4.245 -1.151 316 HD13 LEU 36 3HD1 LEU 36 0.996 -4.042 -2.436 317 HD21 LEU 36 3HD2 LEU 36 1.154 -5.892 0.639 318 HD22 LEU 36 1HD2 LEU 36 1.376 -7.496 -0.060 319 HD23 LEU 36 2HD2 LEU 36 -0.230 -6.788 0.009 320 H ASN 37 H ASN 37 -2.472 -7.160 -2.730 321 HA ASN 37 HA ASN 37 -3.076 -8.971 -4.948 322 HB2 ASN 37 1HB ASN 37 -5.298 -9.374 -4.055 323 HB3 ASN 37 2HB ASN 37 -4.117 -9.808 -2.822 324 HD21 ASN 37 1HD2 ASN 37 -3.805 -8.365 -1.048 325 HD22 ASN 37 2HD2 ASN 37 -5.021 -7.212 -0.614 326 H GLU 38 H GLU 38 -4.408 -8.009 -6.515 327 HA GLU 38 HA GLU 38 -3.852 -5.284 -6.875 328 HB2 GLU 38 1HB GLU 38 -5.846 -7.058 -8.296 329 HB3 GLU 38 2HB GLU 38 -5.337 -5.471 -8.857 330 HG2 GLU 38 1HG GLU 38 -3.389 -7.708 -8.382 331 HG3 GLU 38 2HG GLU 38 -4.220 -7.481 -9.920 332 H GLU 39 H GLU 39 -6.618 -6.905 -5.509 333 HA GLU 39 HA GLU 39 -8.550 -4.901 -5.566 334 HB2 GLU 39 1HB GLU 39 -9.372 -6.911 -4.793 335 HB3 GLU 39 2HB GLU 39 -7.935 -7.235 -3.832 336 HG2 GLU 39 1HG GLU 39 -8.669 -5.752 -2.094 337 HG3 GLU 39 2HG GLU 39 -10.019 -5.188 -3.087 338 H ALA 40 H ALA 40 -6.308 -5.669 -2.936 339 HA ALA 40 HA ALA 40 -7.144 -3.451 -1.368 340 HB1 ALA 40 3HB ALA 40 -5.416 -4.153 0.173 341 HB2 ALA 40 1HB ALA 40 -4.711 -5.201 -1.061 342 HB3 ALA 40 2HB ALA 40 -6.318 -5.551 -0.417 343 H ILE 41 H ILE 41 -4.605 -3.980 -3.680 344 HA ILE 41 HA ILE 41 -2.918 -1.861 -2.946 345 HB ILE 41 HB ILE 41 -3.349 -2.981 -5.724 346 HG12 ILE 41 1HG1 ILE 41 -1.332 -3.740 -3.600 347 HG13 ILE 41 2HG1 ILE 41 -2.733 -4.707 -4.068 348 HG21 ILE 41 1HG2 ILE 41 -2.201 -0.840 -5.762 349 HG22 ILE 41 2HG2 ILE 41 -1.078 -2.139 -6.161 350 HG23 ILE 41 3HG2 ILE 41 -1.051 -1.414 -4.554 351 HD11 ILE 41 3HD1 ILE 41 -1.804 -4.985 -6.297 352 HD12 ILE 41 1HD1 ILE 41 -0.667 -5.534 -5.067 353 HD13 ILE 41 2HD1 ILE 41 -0.422 -3.980 -5.858 354 H ARG 42 H ARG 42 -5.417 -2.060 -5.462 355 HA ARG 42 HA ARG 42 -5.313 0.657 -6.209 356 HB2 ARG 42 1HB ARG 42 -6.239 -0.975 -7.712 357 HB3 ARG 42 2HB ARG 42 -7.465 -1.434 -6.540 358 HG2 ARG 42 1HG ARG 42 -8.441 0.825 -6.746 359 HG3 ARG 42 2HG ARG 42 -7.243 1.186 -7.990 360 HD2 ARG 42 1HD ARG 42 -8.113 -0.524 -9.422 361 HD3 ARG 42 2HD ARG 42 -9.186 -1.108 -8.150 362 HE ARG 42 HE ARG 42 -9.747 1.599 -8.688 363 HH11 ARG 42 1HH1 ARG 42 -10.101 -1.586 -10.107 364 HH12 ARG 42 2HH1 ARG 42 -11.504 -1.152 -11.045 365 HH21 ARG 42 1HH2 ARG 42 -11.595 2.177 -9.915 366 HH22 ARG 42 2HH2 ARG 42 -12.377 0.973 -10.897 367 H GLN 43 H GLN 43 -7.248 -1.097 -3.845 368 HA GLN 43 HA GLN 43 -9.117 0.959 -3.330 369 HB2 GLN 43 1HB GLN 43 -9.075 -1.606 -2.692 370 HB3 GLN 43 2HB GLN 43 -8.360 -0.998 -1.204 371 HG2 GLN 43 1HG GLN 43 -10.694 -1.190 -0.842 372 HG3 GLN 43 2HG GLN 43 -10.324 0.530 -0.984 373 HE21 GLN 43 1HE2 GLN 43 -12.372 1.130 -1.614 374 HE22 GLN 43 2HE2 GLN 43 -13.026 0.722 -3.170 375 H PHE 44 H PHE 44 -5.892 0.371 -2.223 376 HA PHE 44 HA PHE 44 -5.970 2.028 0.105 377 HB2 PHE 44 1HB PHE 44 -4.308 0.142 -0.507 378 HB3 PHE 44 2HB PHE 44 -3.493 1.361 -1.476 379 HD1 PHE 44 HD1 PHE 44 -4.716 0.746 1.985 380 HD2 PHE 44 HD2 PHE 44 -1.842 2.660 -0.502 381 HE1 PHE 44 HE1 PHE 44 -3.457 1.441 3.983 382 HE2 PHE 44 HE2 PHE 44 -0.574 3.355 1.494 383 HZ PHE 44 HZ PHE 44 -1.383 2.739 3.741 384 H PHE 45 H PHE 45 -5.493 2.583 -3.296 385 HA PHE 45 HA PHE 45 -4.373 5.231 -2.854 386 HB2 PHE 45 1HB PHE 45 -4.974 3.661 -5.358 387 HB3 PHE 45 2HB PHE 45 -4.456 5.340 -5.395 388 HD1 PHE 45 HD1 PHE 45 -2.308 5.752 -3.800 389 HD2 PHE 45 HD2 PHE 45 -3.345 2.105 -5.729 390 HE1 PHE 45 HE1 PHE 45 0.043 5.035 -3.698 391 HE2 PHE 45 HE2 PHE 45 -0.994 1.383 -5.632 392 HZ PHE 45 HZ PHE 45 0.703 2.847 -4.615 393 H GLU 46 H GLU 46 -7.342 3.796 -4.180 394 HA GLU 46 HA GLU 46 -8.421 6.323 -4.972 395 HB2 GLU 46 1HB GLU 46 -10.307 5.127 -5.726 396 HB3 GLU 46 2HB GLU 46 -8.931 4.073 -5.985 397 HG2 GLU 46 1HG GLU 46 -9.496 2.796 -4.004 398 HG3 GLU 46 2HG GLU 46 -10.875 3.856 -3.713 399 H GLU 47 H GLU 47 -8.594 4.354 -2.150 400 HA GLU 47 HA GLU 47 -10.259 6.430 -0.876 401 HB2 GLU 47 1HB GLU 47 -10.046 3.495 -0.223 402 HB3 GLU 47 2HB GLU 47 -10.854 4.668 0.807 403 HG2 GLU 47 1HG GLU 47 -12.344 5.199 -1.121 404 HG3 GLU 47 2HG GLU 47 -11.617 3.832 -1.969 405 H PHE 48 H PHE 48 -7.617 6.982 -1.063 406 HA PHE 48 HA PHE 48 -6.232 6.031 1.281 407 HB2 PHE 48 1HB PHE 48 -5.096 6.624 -0.891 408 HB3 PHE 48 2HB PHE 48 -5.413 8.313 -0.529 409 HD1 PHE 48 HD1 PHE 48 -3.919 5.294 1.070 410 HD2 PHE 48 HD2 PHE 48 -3.760 9.515 0.514 411 HE1 PHE 48 HE1 PHE 48 -1.840 5.389 2.385 412 HE2 PHE 48 HE2 PHE 48 -1.682 9.612 1.829 413 HZ PHE 48 HZ PHE 48 -0.722 7.547 2.764 414 H GLU 49 H GLU 49 -6.728 9.424 0.314 415 HA GLU 49 HA GLU 49 -8.423 10.259 2.306 416 HB2 GLU 49 1HB GLU 49 -7.000 11.322 3.968 417 HB3 GLU 49 2HB GLU 49 -6.686 9.596 3.932 418 HG2 GLU 49 1HG GLU 49 -4.649 10.012 2.615 419 HG3 GLU 49 2HG GLU 49 -4.971 11.747 2.699 420 H GLN 50 H GLN 50 -5.544 11.015 0.455 421 HA GLN 50 HA GLN 50 -6.597 13.701 -0.089 422 HB2 GLN 50 1HB GLN 50 -4.292 14.328 -0.630 423 HB3 GLN 50 2HB GLN 50 -4.393 13.651 0.990 424 HG2 GLN 50 1HG GLN 50 -3.595 11.495 0.113 425 HG3 GLN 50 2HG GLN 50 -3.411 12.243 -1.469 426 HE21 GLN 50 1HE2 GLN 50 -2.482 14.781 -0.324 427 HE22 GLN 50 2HE2 GLN 50 -0.850 14.491 0.175 428 H ARG 51 H ARG 51 -6.694 10.767 -1.282 429 HA ARG 51 HA ARG 51 -6.768 11.673 -4.071 430 HB2 ARG 51 1HB ARG 51 -5.637 9.101 -2.979 431 HB3 ARG 51 2HB ARG 51 -6.191 9.229 -4.639 432 HG2 ARG 51 1HG ARG 51 -4.548 10.981 -5.052 433 HG3 ARG 51 2HG ARG 51 -3.996 10.850 -3.382 434 HD2 ARG 51 1HD ARG 51 -3.297 8.579 -3.730 435 HD3 ARG 51 2HD ARG 51 -3.997 8.570 -5.347 436 HE ARG 51 HE ARG 51 -1.908 10.531 -4.856 437 HH11 ARG 51 1HH1 ARG 51 -2.776 7.392 -6.126 438 HH12 ARG 51 2HH1 ARG 51 -1.352 7.237 -7.105 439 HH21 ARG 51 1HH2 ARG 51 -0.037 10.365 -6.138 440 HH22 ARG 51 2HH2 ARG 51 0.198 8.959 -7.137 441 H LYS 52 H LYS 52 -9.013 11.990 -3.884 442 HA LYS 52 HA LYS 52 -10.529 9.617 -4.369 443 HB2 LYS 52 1HB LYS 52 -12.185 10.009 -2.530 444 HB3 LYS 52 2HB LYS 52 -10.616 9.439 -1.980 445 HG2 LYS 52 1HG LYS 52 -10.017 11.661 -1.258 446 HG3 LYS 52 2HG LYS 52 -11.514 12.315 -1.926 447 HD2 LYS 52 1HD LYS 52 -12.716 10.693 -0.364 448 HD3 LYS 52 2HD LYS 52 -11.157 10.491 0.437 449 HE2 LYS 52 1HE LYS 52 -12.500 12.176 1.572 450 HE3 LYS 52 2HE LYS 52 -11.065 12.903 0.851 451 HZ1 LYS 52 3HZ LYS 52 -13.734 12.907 -0.450 452 HZ2 LYS 52 1HZ LYS 52 -12.359 13.773 -0.929 453 HZ3 LYS 52 2HZ LYS 52 -13.161 14.180 0.510 Start of MODEL 13 1 H1 MET 1 1H MET 1 -5.003 -10.626 6.417 2 H2 MET 1 2H MET 1 -4.966 -10.944 4.747 3 H3 MET 1 3H MET 1 -3.946 -11.797 5.795 4 HA MET 1 HA MET 1 -5.700 -13.239 5.218 5 HB2 MET 1 1HB MET 1 -4.944 -13.210 7.591 6 HB3 MET 1 2HB MET 1 -6.233 -12.075 7.963 7 HG2 MET 1 1HG MET 1 -7.886 -13.769 7.282 8 HG3 MET 1 2HG MET 1 -6.571 -14.909 7.001 9 HE1 MET 1 3HE MET 1 -4.583 -14.187 9.407 10 HE2 MET 1 1HE MET 1 -4.979 -15.830 8.911 11 HE3 MET 1 2HE MET 1 -5.108 -15.366 10.609 12 H LYS 2 H LYS 2 -6.728 -9.962 5.775 13 HA LYS 2 HA LYS 2 -9.521 -10.716 5.359 14 HB2 LYS 2 1HB LYS 2 -8.468 -8.020 6.195 15 HB3 LYS 2 2HB LYS 2 -10.136 -8.564 6.245 16 HG2 LYS 2 1HG LYS 2 -7.900 -9.691 7.919 17 HG3 LYS 2 2HG LYS 2 -9.076 -8.494 8.462 18 HD2 LYS 2 1HD LYS 2 -10.879 -10.154 7.956 19 HD3 LYS 2 2HD LYS 2 -9.616 -11.343 7.624 20 HE2 LYS 2 1HE LYS 2 -8.765 -11.075 9.894 21 HE3 LYS 2 2HE LYS 2 -10.023 -9.886 10.230 22 HZ1 LYS 2 3HZ LYS 2 -10.486 -12.734 9.515 23 HZ2 LYS 2 1HZ LYS 2 -11.689 -11.589 9.858 24 HZ3 LYS 2 2HZ LYS 2 -10.609 -12.071 11.071 25 H GLN 3 H GLN 3 -7.033 -9.907 3.522 26 HA GLN 3 HA GLN 3 -8.292 -9.318 1.160 27 HB2 GLN 3 1HB GLN 3 -9.113 -7.251 2.316 28 HB3 GLN 3 2HB GLN 3 -7.444 -6.751 2.544 29 HG2 GLN 3 1HG GLN 3 -8.435 -5.582 0.681 30 HG3 GLN 3 2HG GLN 3 -7.147 -6.648 0.119 31 HE21 GLN 3 1HE2 GLN 3 -10.573 -6.078 0.200 32 HE22 GLN 3 2HE2 GLN 3 -10.992 -7.219 -1.032 33 H TRP 4 H TRP 4 -5.785 -7.418 2.710 34 HA TRP 4 HA TRP 4 -3.722 -8.580 0.993 35 HB2 TRP 4 1HB TRP 4 -2.387 -6.731 2.435 36 HB3 TRP 4 2HB TRP 4 -3.259 -6.335 0.970 37 HD1 TRP 4 HD1 TRP 4 -4.098 -3.945 1.450 38 HE1 TRP 4 HE1 TRP 4 -5.604 -2.860 3.237 39 HE3 TRP 4 HE3 TRP 4 -4.412 -7.850 4.670 40 HZ2 TRP 4 HZ2 TRP 4 -6.767 -3.591 5.715 41 HZ3 TRP 4 HZ3 TRP 4 -5.733 -7.600 6.735 42 HH2 TRP 4 HH2 TRP 4 -6.885 -5.515 7.243 43 H SER 5 H SER 5 -1.512 -8.737 2.373 44 HA SER 5 HA SER 5 -1.988 -10.277 4.757 45 HB2 SER 5 1HB SER 5 0.625 -9.119 3.770 46 HB3 SER 5 2HB SER 5 0.415 -10.467 4.887 47 HG SER 5 HG SER 5 -0.827 -11.396 2.962 48 H GLU 6 H GLU 6 -2.367 -9.335 6.743 49 HA GLU 6 HA GLU 6 -2.538 -6.535 6.893 50 HB2 GLU 6 1HB GLU 6 -2.911 -6.968 9.395 51 HB3 GLU 6 2HB GLU 6 -4.087 -7.556 8.233 52 HG2 GLU 6 1HG GLU 6 -1.894 -9.289 9.206 53 HG3 GLU 6 2HG GLU 6 -3.368 -9.086 10.152 54 H ASN 7 H ASN 7 -0.039 -8.738 7.870 55 HA ASN 7 HA ASN 7 1.669 -6.990 9.226 56 HB2 ASN 7 1HB ASN 7 2.205 -9.346 9.001 57 HB3 ASN 7 2HB ASN 7 2.270 -9.195 7.248 58 HD21 ASN 7 1HD2 ASN 7 4.347 -9.884 7.021 59 HD22 ASN 7 2HD2 ASN 7 5.724 -8.989 7.594 60 H VAL 8 H VAL 8 1.300 -7.631 5.779 61 HA VAL 8 HA VAL 8 3.243 -5.856 4.828 62 HB VAL 8 HB VAL 8 0.740 -6.907 3.510 63 HG11 VAL 8 1HG1 VAL 8 1.337 -4.914 2.364 64 HG12 VAL 8 2HG1 VAL 8 1.879 -6.283 1.394 65 HG13 VAL 8 3HG1 VAL 8 3.043 -5.364 2.349 66 HG21 VAL 8 3HG2 VAL 8 3.629 -7.736 3.287 67 HG22 VAL 8 1HG2 VAL 8 2.285 -8.427 2.378 68 HG23 VAL 8 2HG2 VAL 8 2.357 -8.618 4.130 69 H GLU 9 H GLU 9 -0.270 -5.429 5.255 70 HA GLU 9 HA GLU 9 -0.506 -2.874 4.190 71 HB2 GLU 9 1HB GLU 9 -2.421 -4.291 4.909 72 HB3 GLU 9 2HB GLU 9 -2.011 -3.944 6.586 73 HG2 GLU 9 1HG GLU 9 -2.161 -1.440 5.459 74 HG3 GLU 9 2HG GLU 9 -3.441 -2.324 4.630 75 H GLU 10 H GLU 10 0.321 -3.869 7.472 76 HA GLU 10 HA GLU 10 0.529 -1.359 8.664 77 HB2 GLU 10 1HB GLU 10 0.592 -3.169 10.129 78 HB3 GLU 10 2HB GLU 10 1.790 -4.030 9.171 79 HG2 GLU 10 1HG GLU 10 3.509 -2.490 9.869 80 HG3 GLU 10 2HG GLU 10 2.322 -1.531 10.761 81 H LYS 11 H LYS 11 3.104 -3.350 7.257 82 HA LYS 11 HA LYS 11 5.127 -1.419 7.679 83 HB2 LYS 11 1HB LYS 11 5.457 -3.864 7.521 84 HB3 LYS 11 2HB LYS 11 5.111 -3.780 5.800 85 HG2 LYS 11 1HG LYS 11 7.067 -2.328 5.493 86 HG3 LYS 11 2HG LYS 11 7.414 -2.453 7.217 87 HD2 LYS 11 1HD LYS 11 7.315 -4.771 5.289 88 HD3 LYS 11 2HD LYS 11 8.787 -3.993 5.870 89 HE2 LYS 11 1HE LYS 11 6.744 -5.414 7.581 90 HE3 LYS 11 2HE LYS 11 8.306 -6.062 7.092 91 HZ1 LYS 11 3HZ LYS 11 7.918 -3.625 8.758 92 HZ2 LYS 11 1HZ LYS 11 9.404 -4.325 8.327 93 HZ3 LYS 11 2HZ LYS 11 8.340 -5.158 9.349 94 H LEU 12 H LEU 12 3.041 -2.184 4.963 95 HA LEU 12 HA LEU 12 4.211 -0.530 3.012 96 HB2 LEU 12 1HB LEU 12 2.485 -2.129 2.435 97 HB3 LEU 12 2HB LEU 12 1.332 -1.320 3.479 98 HG LEU 12 HG LEU 12 1.602 0.708 1.960 99 HD11 LEU 12 1HD1 LEU 12 2.371 0.276 -0.299 100 HD12 LEU 12 2HD1 LEU 12 2.800 -1.375 0.144 101 HD13 LEU 12 3HD1 LEU 12 3.663 -0.015 0.863 102 HD21 LEU 12 3HD2 LEU 12 0.357 -1.848 0.959 103 HD22 LEU 12 1HD2 LEU 12 0.048 -0.253 0.271 104 HD23 LEU 12 2HD2 LEU 12 -0.405 -0.597 1.941 105 H LYS 13 H LYS 13 1.638 0.062 5.354 106 HA LYS 13 HA LYS 13 1.039 2.695 4.820 107 HB2 LYS 13 1HB LYS 13 -0.231 1.349 6.373 108 HB3 LYS 13 2HB LYS 13 1.138 1.230 7.454 109 HG2 LYS 13 1HG LYS 13 0.981 3.660 7.808 110 HG3 LYS 13 2HG LYS 13 -0.466 3.683 6.812 111 HD2 LYS 13 1HD LYS 13 -1.128 3.603 9.123 112 HD3 LYS 13 2HD LYS 13 -1.516 2.062 8.362 113 HE2 LYS 13 1HE LYS 13 0.575 1.118 9.322 114 HE3 LYS 13 2HE LYS 13 0.841 2.647 10.159 115 HZ1 LYS 13 3HZ LYS 13 -0.190 1.191 11.682 116 HZ2 LYS 13 1HZ LYS 13 -1.369 0.718 10.561 117 HZ3 LYS 13 2HZ LYS 13 -1.389 2.288 11.199 118 H GLU 14 H GLU 14 3.503 1.407 6.991 119 HA GLU 14 HA GLU 14 4.534 3.876 7.860 120 HB2 GLU 14 1HB GLU 14 5.928 1.200 7.625 121 HB3 GLU 14 2HB GLU 14 6.484 2.568 8.583 122 HG2 GLU 14 1HG GLU 14 4.580 2.416 10.018 123 HG3 GLU 14 2HG GLU 14 3.857 1.169 9.000 124 H PHE 15 H PHE 15 5.490 1.721 5.212 125 HA PHE 15 HA PHE 15 7.790 3.185 4.480 126 HB2 PHE 15 1HB PHE 15 7.404 0.796 3.974 127 HB3 PHE 15 2HB PHE 15 6.139 1.257 2.847 128 HD1 PHE 15 HD1 PHE 15 9.590 2.536 3.445 129 HD2 PHE 15 HD2 PHE 15 6.838 0.806 0.696 130 HE1 PHE 15 HE1 PHE 15 11.278 2.688 1.665 131 HE2 PHE 15 HE2 PHE 15 8.526 0.954 -1.086 132 HZ PHE 15 HZ PHE 15 10.750 1.895 -0.606 133 H VAL 16 H VAL 16 4.435 3.665 3.805 134 HA VAL 16 HA VAL 16 5.034 5.406 1.549 135 HB VAL 16 HB VAL 16 2.367 4.723 2.801 136 HG11 VAL 16 1HG1 VAL 16 1.372 5.773 0.823 137 HG12 VAL 16 2HG1 VAL 16 2.976 6.247 0.267 138 HG13 VAL 16 3HG1 VAL 16 2.322 6.935 1.752 139 HG21 VAL 16 3HG2 VAL 16 3.652 3.791 0.233 140 HG22 VAL 16 1HG2 VAL 16 2.020 3.391 0.771 141 HG23 VAL 16 2HG2 VAL 16 3.414 2.822 1.687 142 H LYS 17 H LYS 17 2.965 5.912 4.458 143 HA LYS 17 HA LYS 17 3.121 8.724 3.974 144 HB2 LYS 17 1HB LYS 17 1.672 8.952 5.938 145 HB3 LYS 17 2HB LYS 17 1.048 7.872 4.708 146 HG2 LYS 17 1HG LYS 17 2.277 6.090 6.267 147 HG3 LYS 17 2HG LYS 17 1.896 7.328 7.470 148 HD2 LYS 17 1HD LYS 17 -0.079 6.178 5.525 149 HD3 LYS 17 2HD LYS 17 0.120 5.600 7.182 150 HE2 LYS 17 1HE LYS 17 -0.648 8.409 6.379 151 HE3 LYS 17 2HE LYS 17 -1.773 7.174 6.937 152 HZ1 LYS 17 3HZ LYS 17 0.474 8.312 8.527 153 HZ2 LYS 17 1HZ LYS 17 -0.629 7.140 9.069 154 HZ3 LYS 17 2HZ LYS 17 -1.166 8.706 8.709 155 H ARG 18 H ARG 18 4.799 6.560 6.008 156 HA ARG 18 HA ARG 18 5.820 8.719 7.691 157 HB2 ARG 18 1HB ARG 18 6.200 5.722 7.854 158 HB3 ARG 18 2HB ARG 18 6.884 6.877 8.990 159 HG2 ARG 18 1HG ARG 18 4.741 7.510 9.780 160 HG3 ARG 18 2HG ARG 18 3.936 6.652 8.466 161 HD2 ARG 18 1HD ARG 18 3.768 5.416 10.564 162 HD3 ARG 18 2HD ARG 18 4.700 4.525 9.365 163 HE ARG 18 HE ARG 18 6.573 5.883 10.826 164 HH11 ARG 18 1HH1 ARG 18 3.984 3.658 11.624 165 HH12 ARG 18 2HH1 ARG 18 4.840 2.947 12.956 166 HH21 ARG 18 1HH2 ARG 18 7.685 4.978 12.581 167 HH22 ARG 18 2HH2 ARG 18 6.942 3.707 13.520 168 H HIS 19 H HIS 19 6.652 7.155 4.833 169 HA HIS 19 HA HIS 19 9.486 7.879 5.191 170 HB2 HIS 19 1HB HIS 19 8.262 5.536 3.757 171 HB3 HIS 19 2HB HIS 19 9.869 6.115 3.334 172 HD1 HIS 19 HD1 HIS 19 11.470 4.461 4.345 173 HD2 HIS 19 HD2 HIS 19 8.347 5.439 6.918 174 HE1 HIS 19 HE1 HIS 19 11.952 3.297 6.535 175 H GLN 20 H GLN 20 9.589 7.037 2.192 176 HA GLN 20 HA GLN 20 9.743 9.719 1.270 177 HB2 GLN 20 1HB GLN 20 9.892 7.132 -0.277 178 HB3 GLN 20 2HB GLN 20 10.332 8.714 -0.903 179 HG2 GLN 20 1HG GLN 20 12.093 8.865 0.813 180 HG3 GLN 20 2HG GLN 20 11.679 7.237 1.347 181 HE21 GLN 20 1HE2 GLN 20 13.719 6.447 0.855 182 HE22 GLN 20 2HE2 GLN 20 14.246 6.197 -0.780 183 H ARG 21 H ARG 21 7.011 8.015 1.719 184 HA ARG 21 HA ARG 21 4.878 8.183 0.983 185 HB2 ARG 21 1HB ARG 21 6.065 10.391 -0.662 186 HB3 ARG 21 2HB ARG 21 4.430 9.840 -0.986 187 HG2 ARG 21 1HG ARG 21 4.336 11.750 0.438 188 HG3 ARG 21 2HG ARG 21 3.842 10.335 1.364 189 HD2 ARG 21 1HD ARG 21 5.986 10.236 2.455 190 HD3 ARG 21 2HD ARG 21 6.613 11.520 1.423 191 HE ARG 21 HE ARG 21 4.473 12.674 2.627 192 HH11 ARG 21 1HH1 ARG 21 7.280 10.960 3.869 193 HH12 ARG 21 2HH1 ARG 21 7.349 11.896 5.336 194 HH21 ARG 21 1HH2 ARG 21 4.546 13.855 4.563 195 HH22 ARG 21 2HH2 ARG 21 5.790 13.533 5.735 196 H ILE 22 H ILE 22 7.466 7.383 -1.000 197 HA ILE 22 HA ILE 22 7.811 5.725 -2.470 198 HB ILE 22 HB ILE 22 5.933 4.652 -0.909 199 HG12 ILE 22 1HG1 ILE 22 6.806 3.406 -3.521 200 HG13 ILE 22 2HG1 ILE 22 7.798 3.489 -2.069 201 HG21 ILE 22 1HG2 ILE 22 4.650 4.651 -3.640 202 HG22 ILE 22 2HG2 ILE 22 4.028 5.453 -2.198 203 HG23 ILE 22 3HG2 ILE 22 4.121 3.692 -2.257 204 HD11 ILE 22 3HD1 ILE 22 5.160 2.065 -2.302 205 HD12 ILE 22 1HD1 ILE 22 6.204 2.105 -0.881 206 HD13 ILE 22 2HD1 ILE 22 6.751 1.304 -2.355 207 H THR 23 H THR 23 7.747 5.361 -4.644 208 HA THR 23 HA THR 23 5.813 6.897 -6.213 209 HB THR 23 HB THR 23 7.390 6.203 -8.127 210 HG1 THR 23 HG1 THR 23 9.541 5.727 -7.378 211 HG21 THR 23 3HG2 THR 23 7.292 8.478 -7.238 212 HG22 THR 23 1HG2 THR 23 8.951 8.033 -7.633 213 HG23 THR 23 2HG2 THR 23 8.414 8.033 -5.953 214 H GLN 24 H GLN 24 4.766 5.817 -8.043 215 HA GLN 24 HA GLN 24 3.561 3.426 -7.183 216 HB2 GLN 24 1HB GLN 24 2.448 5.087 -8.620 217 HB3 GLN 24 2HB GLN 24 3.517 4.643 -9.944 218 HG2 GLN 24 1HG GLN 24 2.572 2.480 -10.103 219 HG3 GLN 24 2HG GLN 24 1.687 2.683 -8.592 220 HE21 GLN 24 1HE2 GLN 24 -0.186 3.909 -8.573 221 HE22 GLN 24 2HE2 GLN 24 -1.003 4.377 -10.018 222 H GLU 25 H GLU 25 6.297 3.971 -9.310 223 HA GLU 25 HA GLU 25 6.409 1.414 -10.498 224 HB2 GLU 25 1HB GLU 25 7.754 3.317 -11.283 225 HB3 GLU 25 2HB GLU 25 8.677 3.283 -9.788 226 HG2 GLU 25 1HG GLU 25 9.491 1.040 -10.351 227 HG3 GLU 25 2HG GLU 25 8.595 1.108 -11.867 228 H GLU 26 H GLU 26 8.215 2.681 -7.695 229 HA GLU 26 HA GLU 26 9.273 0.212 -6.857 230 HB2 GLU 26 1HB GLU 26 10.141 2.401 -6.109 231 HB3 GLU 26 2HB GLU 26 8.652 2.691 -5.223 232 HG2 GLU 26 1HG GLU 26 10.366 2.021 -3.694 233 HG3 GLU 26 2HG GLU 26 9.160 0.742 -3.797 234 H LEU 27 H LEU 27 6.268 1.872 -6.227 235 HA LEU 27 HA LEU 27 5.316 0.437 -4.051 236 HB2 LEU 27 1HB LEU 27 4.280 2.476 -4.821 237 HB3 LEU 27 2HB LEU 27 3.829 1.719 -6.336 238 HG LEU 27 HG LEU 27 2.354 0.160 -5.032 239 HD11 LEU 27 1HD1 LEU 27 2.995 2.062 -2.784 240 HD12 LEU 27 2HD1 LEU 27 3.419 0.351 -2.865 241 HD13 LEU 27 3HD1 LEU 27 1.727 0.838 -2.765 242 HD21 LEU 27 3HD2 LEU 27 1.472 2.109 -6.208 243 HD22 LEU 27 1HD2 LEU 27 1.787 3.112 -4.792 244 HD23 LEU 27 2HD2 LEU 27 0.590 1.821 -4.707 245 H HIS 28 H HIS 28 4.751 -0.219 -7.521 246 HA HIS 28 HA HIS 28 3.050 -2.422 -6.942 247 HB2 HIS 28 1HB HIS 28 3.243 -0.999 -9.136 248 HB3 HIS 28 2HB HIS 28 4.454 -2.202 -9.576 249 HD1 HIS 28 HD1 HIS 28 3.107 -4.733 -8.448 250 HD2 HIS 28 HD2 HIS 28 1.115 -1.803 -10.617 251 HE1 HIS 28 HE1 HIS 28 1.008 -5.814 -9.323 252 H GLN 29 H GLN 29 6.485 -2.127 -7.656 253 HA GLN 29 HA GLN 29 7.038 -4.897 -7.791 254 HB2 GLN 29 1HB GLN 29 8.648 -3.268 -8.592 255 HB3 GLN 29 2HB GLN 29 8.786 -2.562 -6.989 256 HG2 GLN 29 1HG GLN 29 10.708 -3.943 -7.503 257 HG3 GLN 29 2HG GLN 29 9.792 -4.611 -6.154 258 HE21 GLN 29 1HE2 GLN 29 10.636 -6.649 -6.450 259 HE22 GLN 29 2HE2 GLN 29 10.164 -7.668 -7.768 260 H TYR 30 H TYR 30 6.940 -2.565 -5.168 261 HA TYR 30 HA TYR 30 7.798 -4.291 -3.095 262 HB2 TYR 30 1HB TYR 30 7.726 -1.759 -3.089 263 HB3 TYR 30 2HB TYR 30 5.991 -1.879 -2.848 264 HD1 TYR 30 HD1 TYR 30 9.091 -3.331 -1.322 265 HD2 TYR 30 HD2 TYR 30 5.275 -1.556 -0.698 266 HE1 TYR 30 HE1 TYR 30 9.452 -3.420 1.109 267 HE2 TYR 30 HE2 TYR 30 5.624 -1.638 1.733 268 HH TYR 30 HH TYR 30 6.963 -2.864 3.367 269 H ALA 31 H ALA 31 4.725 -3.721 -4.636 270 HA ALA 31 HA ALA 31 3.042 -4.792 -2.625 271 HB1 ALA 31 3HB ALA 31 2.571 -4.553 -5.600 272 HB2 ALA 31 1HB ALA 31 2.228 -3.309 -4.398 273 HB3 ALA 31 2HB ALA 31 1.333 -4.829 -4.375 274 H GLN 32 H GLN 32 4.320 -6.166 -5.642 275 HA GLN 32 HA GLN 32 3.165 -8.742 -5.135 276 HB2 GLN 32 1HB GLN 32 5.314 -7.966 -7.121 277 HB3 GLN 32 2HB GLN 32 4.369 -9.449 -7.138 278 HG2 GLN 32 1HG GLN 32 3.213 -6.688 -7.441 279 HG3 GLN 32 2HG GLN 32 3.614 -7.762 -8.777 280 HE21 GLN 32 1HE2 GLN 32 2.751 -10.166 -7.455 281 HE22 GLN 32 2HE2 GLN 32 1.018 -10.122 -7.432 282 H ARG 33 H ARG 33 5.921 -7.130 -4.076 283 HA ARG 33 HA ARG 33 7.613 -9.404 -3.672 284 HB2 ARG 33 1HB ARG 33 8.507 -7.130 -3.961 285 HB3 ARG 33 2HB ARG 33 7.713 -6.626 -2.478 286 HG2 ARG 33 1HG ARG 33 9.114 -8.146 -1.198 287 HG3 ARG 33 2HG ARG 33 9.897 -8.687 -2.685 288 HD2 ARG 33 1HD ARG 33 10.741 -6.449 -3.088 289 HD3 ARG 33 2HD ARG 33 9.894 -5.849 -1.663 290 HE ARG 33 HE ARG 33 11.496 -7.840 -0.700 291 HH11 ARG 33 1HH1 ARG 33 12.052 -4.956 -2.604 292 HH12 ARG 33 2HH1 ARG 33 13.650 -4.684 -1.984 293 HH21 ARG 33 1HH2 ARG 33 13.611 -7.519 0.109 294 HH22 ARG 33 2HH2 ARG 33 14.545 -6.158 -0.436 295 H LEU 34 H LEU 34 5.260 -7.608 -1.749 296 HA LEU 34 HA LEU 34 5.906 -9.280 0.567 297 HB2 LEU 34 1HB LEU 34 4.411 -6.690 0.316 298 HB3 LEU 34 2HB LEU 34 4.472 -7.622 1.796 299 HG LEU 34 HG LEU 34 6.787 -6.309 0.385 300 HD11 LEU 34 1HD1 LEU 34 5.499 -5.842 3.069 301 HD12 LEU 34 2HD1 LEU 34 5.394 -4.789 1.657 302 HD13 LEU 34 3HD1 LEU 34 6.943 -5.026 2.468 303 HD21 LEU 34 3HD2 LEU 34 6.813 -8.021 2.871 304 HD22 LEU 34 1HD2 LEU 34 8.187 -7.145 2.194 305 HD23 LEU 34 2HD2 LEU 34 7.465 -8.481 1.298 306 H GLY 35 H GLY 35 3.316 -8.636 -1.703 307 HA2 GLY 35 1HA GLY 35 1.800 -10.598 -1.933 308 HA3 GLY 35 2HA GLY 35 1.679 -10.576 -0.177 309 H LEU 36 H LEU 36 1.551 -7.759 -2.337 310 HA LEU 36 HA LEU 36 -1.139 -7.221 -1.336 311 HB2 LEU 36 1HB LEU 36 0.630 -5.568 -3.137 312 HB3 LEU 36 2HB LEU 36 -0.971 -5.105 -2.590 313 HG LEU 36 HG LEU 36 1.437 -5.513 -0.818 314 HD11 LEU 36 1HD1 LEU 36 -0.021 -2.992 -1.587 315 HD12 LEU 36 2HD1 LEU 36 1.536 -3.502 -2.238 316 HD13 LEU 36 3HD1 LEU 36 1.381 -3.118 -0.525 317 HD21 LEU 36 3HD2 LEU 36 -0.000 -4.606 0.950 318 HD22 LEU 36 1HD2 LEU 36 -0.651 -6.112 0.305 319 HD23 LEU 36 2HD2 LEU 36 -1.357 -4.570 -0.173 320 H ASN 37 H ASN 37 -2.883 -7.681 -2.438 321 HA ASN 37 HA ASN 37 -2.702 -8.436 -5.231 322 HB2 ASN 37 1HB ASN 37 -4.989 -9.118 -5.089 323 HB3 ASN 37 2HB ASN 37 -4.184 -9.689 -3.639 324 HD21 ASN 37 1HD2 ASN 37 -4.279 -6.950 -2.410 325 HD22 ASN 37 2HD2 ASN 37 -5.918 -6.790 -1.885 326 H GLU 38 H GLU 38 -4.132 -7.406 -6.833 327 HA GLU 38 HA GLU 38 -3.490 -4.733 -7.085 328 HB2 GLU 38 1HB GLU 38 -5.824 -6.105 -8.415 329 HB3 GLU 38 2HB GLU 38 -4.998 -4.661 -8.982 330 HG2 GLU 38 1HG GLU 38 -4.029 -6.245 -10.307 331 HG3 GLU 38 2HG GLU 38 -2.898 -6.222 -8.951 332 H GLU 39 H GLU 39 -6.327 -6.142 -5.617 333 HA GLU 39 HA GLU 39 -7.969 -3.900 -5.413 334 HB2 GLU 39 1HB GLU 39 -8.667 -6.167 -4.809 335 HB3 GLU 39 2HB GLU 39 -7.572 -6.141 -3.432 336 HG2 GLU 39 1HG GLU 39 -9.765 -5.730 -2.621 337 HG3 GLU 39 2HG GLU 39 -8.877 -4.209 -2.538 338 H ALA 40 H ALA 40 -5.574 -5.133 -3.092 339 HA ALA 40 HA ALA 40 -5.922 -3.026 -1.229 340 HB1 ALA 40 3HB ALA 40 -5.044 -5.248 -0.621 341 HB2 ALA 40 1HB ALA 40 -3.993 -3.937 -0.088 342 HB3 ALA 40 2HB ALA 40 -3.564 -4.886 -1.511 343 H ILE 41 H ILE 41 -3.935 -3.419 -4.044 344 HA ILE 41 HA ILE 41 -2.030 -1.402 -3.463 345 HB ILE 41 HB ILE 41 -2.941 -2.315 -6.198 346 HG12 ILE 41 1HG1 ILE 41 -0.769 -3.429 -4.407 347 HG13 ILE 41 2HG1 ILE 41 -2.290 -4.229 -4.802 348 HG21 ILE 41 1HG2 ILE 41 -0.352 -1.066 -5.277 349 HG22 ILE 41 2HG2 ILE 41 -1.609 -0.270 -6.225 350 HG23 ILE 41 3HG2 ILE 41 -0.704 -1.619 -6.914 351 HD11 ILE 41 3HD1 ILE 41 -1.614 -4.389 -7.130 352 HD12 ILE 41 1HD1 ILE 41 -0.414 -5.131 -6.072 353 HD13 ILE 41 2HD1 ILE 41 -0.112 -3.538 -6.765 354 H ARG 42 H ARG 42 -5.028 -1.443 -5.340 355 HA ARG 42 HA ARG 42 -5.053 1.358 -5.902 356 HB2 ARG 42 1HB ARG 42 -6.250 -0.276 -7.287 357 HB3 ARG 42 2HB ARG 42 -7.272 -0.700 -5.922 358 HG2 ARG 42 1HG ARG 42 -7.912 1.810 -5.949 359 HG3 ARG 42 2HG ARG 42 -7.274 1.764 -7.595 360 HD2 ARG 42 1HD ARG 42 -9.688 1.371 -7.559 361 HD3 ARG 42 2HD ARG 42 -8.811 -0.040 -8.153 362 HE ARG 42 HE ARG 42 -9.346 -1.190 -6.187 363 HH11 ARG 42 1HH1 ARG 42 -10.639 2.073 -6.170 364 HH12 ARG 42 2HH1 ARG 42 -11.704 1.763 -4.822 365 HH21 ARG 42 1HH2 ARG 42 -10.739 -1.595 -4.445 366 HH22 ARG 42 2HH2 ARG 42 -11.767 -0.316 -3.853 367 H GLN 43 H GLN 43 -6.105 -0.660 -3.309 368 HA GLN 43 HA GLN 43 -8.104 0.970 -2.183 369 HB2 GLN 43 1HB GLN 43 -7.846 -1.430 -1.730 370 HB3 GLN 43 2HB GLN 43 -6.347 -1.109 -0.873 371 HG2 GLN 43 1HG GLN 43 -7.605 0.208 0.781 372 HG3 GLN 43 2HG GLN 43 -9.099 -0.196 -0.066 373 HE21 GLN 43 1HE2 GLN 43 -9.973 -1.284 1.683 374 HE22 GLN 43 2HE2 GLN 43 -9.382 -2.829 2.209 375 H PHE 44 H PHE 44 -4.596 0.914 -1.730 376 HA PHE 44 HA PHE 44 -4.833 2.648 0.589 377 HB2 PHE 44 1HB PHE 44 -3.113 0.755 0.317 378 HB3 PHE 44 2HB PHE 44 -2.242 1.871 -0.729 379 HD1 PHE 44 HD1 PHE 44 -3.392 1.240 2.696 380 HD2 PHE 44 HD2 PHE 44 -1.061 3.759 0.178 381 HE1 PHE 44 HE1 PHE 44 -2.376 2.273 4.680 382 HE2 PHE 44 HE2 PHE 44 -0.039 4.800 2.163 383 HZ PHE 44 HZ PHE 44 -0.704 4.064 4.418 384 H PHE 45 H PHE 45 -3.960 2.920 -2.802 385 HA PHE 45 HA PHE 45 -2.988 5.634 -2.397 386 HB2 PHE 45 1HB PHE 45 -2.746 3.620 -4.515 387 HB3 PHE 45 2HB PHE 45 -2.948 5.266 -5.104 388 HD1 PHE 45 HD1 PHE 45 -1.068 3.643 -2.315 389 HD2 PHE 45 HD2 PHE 45 -0.982 6.287 -5.646 390 HE1 PHE 45 HE1 PHE 45 1.312 4.092 -1.890 391 HE2 PHE 45 HE2 PHE 45 1.399 6.741 -5.227 392 HZ PHE 45 HZ PHE 45 2.550 5.643 -3.350 393 H GLU 46 H GLU 46 -5.203 4.251 -4.824 394 HA GLU 46 HA GLU 46 -6.391 6.748 -5.407 395 HB2 GLU 46 1HB GLU 46 -7.291 3.924 -5.975 396 HB3 GLU 46 2HB GLU 46 -8.107 5.348 -6.603 397 HG2 GLU 46 1HG GLU 46 -6.141 5.982 -7.840 398 HG3 GLU 46 2HG GLU 46 -5.231 4.649 -7.131 399 H GLU 47 H GLU 47 -7.605 3.932 -3.626 400 HA GLU 47 HA GLU 47 -9.904 5.500 -2.731 401 HB2 GLU 47 1HB GLU 47 -10.018 3.117 -3.705 402 HB3 GLU 47 2HB GLU 47 -9.375 2.587 -2.157 403 HG2 GLU 47 1HG GLU 47 -11.303 3.602 -1.028 404 HG3 GLU 47 2HG GLU 47 -11.953 4.078 -2.597 405 H PHE 48 H PHE 48 -7.406 6.247 -1.720 406 HA PHE 48 HA PHE 48 -6.486 5.139 0.618 407 HB2 PHE 48 1HB PHE 48 -5.400 7.016 -0.553 408 HB3 PHE 48 2HB PHE 48 -6.682 8.093 -0.035 409 HD1 PHE 48 HD1 PHE 48 -4.508 5.573 1.662 410 HD2 PHE 48 HD2 PHE 48 -5.982 9.560 1.564 411 HE1 PHE 48 HE1 PHE 48 -3.221 6.090 3.692 412 HE2 PHE 48 HE2 PHE 48 -4.697 10.088 3.595 413 HZ PHE 48 HZ PHE 48 -3.311 8.354 4.662 414 H GLU 49 H GLU 49 -8.567 8.002 0.607 415 HA GLU 49 HA GLU 49 -10.669 7.252 2.135 416 HB2 GLU 49 1HB GLU 49 -10.155 7.920 4.433 417 HB3 GLU 49 2HB GLU 49 -9.126 6.587 3.932 418 HG2 GLU 49 1HG GLU 49 -7.270 8.097 3.602 419 HG3 GLU 49 2HG GLU 49 -8.292 9.480 3.992 420 H GLN 50 H GLN 50 -8.243 9.640 1.472 421 HA GLN 50 HA GLN 50 -10.222 11.800 1.747 422 HB2 GLN 50 1HB GLN 50 -7.214 12.026 1.426 423 HB3 GLN 50 2HB GLN 50 -8.335 13.329 1.815 424 HG2 GLN 50 1HG GLN 50 -7.593 10.972 3.527 425 HG3 GLN 50 2HG GLN 50 -7.246 12.681 3.827 426 HE21 GLN 50 1HE2 GLN 50 -8.793 10.607 5.343 427 HE22 GLN 50 2HE2 GLN 50 -10.350 11.308 5.600 428 H ARG 51 H ARG 51 -9.797 9.742 -0.359 429 HA ARG 51 HA ARG 51 -9.742 11.491 -2.687 430 HB2 ARG 51 1HB ARG 51 -7.889 9.117 -2.394 431 HB3 ARG 51 2HB ARG 51 -8.124 10.025 -3.869 432 HG2 ARG 51 1HG ARG 51 -7.174 11.987 -2.854 433 HG3 ARG 51 2HG ARG 51 -7.020 11.130 -1.313 434 HD2 ARG 51 1HD ARG 51 -5.602 9.458 -2.463 435 HD3 ARG 51 2HD ARG 51 -5.661 10.458 -3.905 436 HE ARG 51 HE ARG 51 -4.655 12.242 -2.355 437 HH11 ARG 51 1HH1 ARG 51 -3.999 8.801 -2.094 438 HH12 ARG 51 2HH1 ARG 51 -2.416 9.034 -1.406 439 HH21 ARG 51 1HH2 ARG 51 -2.587 12.543 -1.496 440 HH22 ARG 51 2HH2 ARG 51 -1.595 11.170 -1.095 441 H LYS 52 H LYS 52 -11.363 10.941 -3.968 442 HA LYS 52 HA LYS 52 -12.988 9.768 -5.033 443 HB2 LYS 52 1HB LYS 52 -10.961 7.530 -4.864 444 HB3 LYS 52 2HB LYS 52 -12.293 7.641 -6.005 445 HG2 LYS 52 1HG LYS 52 -11.296 9.566 -7.056 446 HG3 LYS 52 2HG LYS 52 -10.006 9.594 -5.852 447 HD2 LYS 52 1HD LYS 52 -9.170 8.580 -7.874 448 HD3 LYS 52 2HD LYS 52 -9.302 7.343 -6.623 449 HE2 LYS 52 1HE LYS 52 -10.107 6.490 -8.748 450 HE3 LYS 52 2HE LYS 52 -11.433 6.605 -7.593 451 HZ1 LYS 52 3HZ LYS 52 -10.845 8.641 -9.674 452 HZ2 LYS 52 1HZ LYS 52 -12.194 8.594 -8.648 453 HZ3 LYS 52 2HZ LYS 52 -11.997 7.409 -9.844 Start of MODEL 14 1 H1 MET 1 1H MET 1 -13.175 -8.505 6.393 2 H2 MET 1 2H MET 1 -12.932 -10.129 5.968 3 H3 MET 1 3H MET 1 -14.348 -9.330 5.488 4 HA MET 1 HA MET 1 -12.823 -9.560 3.656 5 HB2 MET 1 1HB MET 1 -14.316 -7.660 3.616 6 HB3 MET 1 2HB MET 1 -13.262 -6.752 4.693 7 HG2 MET 1 1HG MET 1 -11.524 -6.748 2.962 8 HG3 MET 1 2HG MET 1 -12.625 -7.596 1.878 9 HE1 MET 1 3HE MET 1 -14.858 -6.574 0.933 10 HE2 MET 1 1HE MET 1 -15.444 -4.951 1.305 11 HE3 MET 1 2HE MET 1 -15.430 -6.193 2.557 12 H LYS 2 H LYS 2 -10.691 -9.915 3.171 13 HA LYS 2 HA LYS 2 -8.738 -8.008 4.249 14 HB2 LYS 2 1HB LYS 2 -8.362 -11.008 4.076 15 HB3 LYS 2 2HB LYS 2 -7.062 -9.868 4.377 16 HG2 LYS 2 1HG LYS 2 -9.467 -10.127 6.162 17 HG3 LYS 2 2HG LYS 2 -7.978 -11.044 6.396 18 HD2 LYS 2 1HD LYS 2 -6.733 -8.926 6.602 19 HD3 LYS 2 2HD LYS 2 -8.241 -8.032 6.419 20 HE2 LYS 2 1HE LYS 2 -9.125 -9.125 8.417 21 HE3 LYS 2 2HE LYS 2 -7.590 -9.970 8.626 22 HZ1 LYS 2 3HZ LYS 2 -7.504 -8.104 10.032 23 HZ2 LYS 2 1HZ LYS 2 -8.117 -7.060 8.842 24 HZ3 LYS 2 2HZ LYS 2 -6.551 -7.684 8.698 25 H GLN 3 H GLN 3 -7.315 -7.245 2.784 26 HA GLN 3 HA GLN 3 -7.960 -8.056 0.013 27 HB2 GLN 3 1HB GLN 3 -6.957 -5.388 1.025 28 HB3 GLN 3 2HB GLN 3 -7.436 -5.757 -0.627 29 HG2 GLN 3 1HG GLN 3 -9.286 -5.897 1.742 30 HG3 GLN 3 2HG GLN 3 -9.126 -4.497 0.683 31 HE21 GLN 3 1HE2 GLN 3 -10.012 -4.549 -1.341 32 HE22 GLN 3 2HE2 GLN 3 -11.072 -5.804 -1.882 33 H TRP 4 H TRP 4 -5.561 -8.351 2.232 34 HA TRP 4 HA TRP 4 -3.536 -9.171 0.523 35 HB2 TRP 4 1HB TRP 4 -1.874 -7.308 0.982 36 HB3 TRP 4 2HB TRP 4 -3.138 -6.918 -0.170 37 HD1 TRP 4 HD1 TRP 4 -4.807 -6.575 3.004 38 HE1 TRP 4 HE1 TRP 4 -4.825 -4.150 3.838 39 HE3 TRP 4 HE3 TRP 4 -1.175 -4.677 -0.026 40 HZ2 TRP 4 HZ2 TRP 4 -3.468 -1.747 3.280 41 HZ3 TRP 4 HZ3 TRP 4 -0.588 -2.310 0.193 42 HH2 TRP 4 HH2 TRP 4 -1.711 -0.872 1.812 43 H SER 5 H SER 5 -1.312 -8.942 1.953 44 HA SER 5 HA SER 5 -1.828 -10.343 4.357 45 HB2 SER 5 1HB SER 5 0.260 -10.658 3.106 46 HB3 SER 5 2HB SER 5 0.712 -8.984 3.412 47 HG SER 5 HG SER 5 0.274 -10.962 5.411 48 H GLU 6 H GLU 6 -2.658 -9.453 6.124 49 HA GLU 6 HA GLU 6 -3.050 -6.786 6.638 50 HB2 GLU 6 1HB GLU 6 -3.765 -7.371 8.774 51 HB3 GLU 6 2HB GLU 6 -4.049 -8.811 7.812 52 HG2 GLU 6 1HG GLU 6 -1.631 -8.396 9.512 53 HG3 GLU 6 2HG GLU 6 -3.090 -9.204 10.080 54 H ASN 7 H ASN 7 -0.214 -8.699 7.476 55 HA ASN 7 HA ASN 7 1.072 -6.751 9.062 56 HB2 ASN 7 1HB ASN 7 2.032 -9.116 7.506 57 HB3 ASN 7 2HB ASN 7 3.218 -7.965 8.111 58 HD21 ASN 7 1HD2 ASN 7 0.208 -8.842 9.700 59 HD22 ASN 7 2HD2 ASN 7 0.945 -9.600 11.068 60 H VAL 8 H VAL 8 0.890 -7.197 5.597 61 HA VAL 8 HA VAL 8 2.880 -5.214 5.011 62 HB VAL 8 HB VAL 8 0.728 -6.301 3.206 63 HG11 VAL 8 1HG1 VAL 8 3.316 -4.869 2.643 64 HG12 VAL 8 2HG1 VAL 8 1.680 -4.258 2.379 65 HG13 VAL 8 3HG1 VAL 8 2.283 -5.611 1.422 66 HG21 VAL 8 3HG2 VAL 8 2.477 -7.824 2.373 67 HG22 VAL 8 1HG2 VAL 8 2.051 -8.130 4.055 68 HG23 VAL 8 2HG2 VAL 8 3.541 -7.275 3.668 69 H GLU 9 H GLU 9 -0.598 -5.355 5.343 70 HA GLU 9 HA GLU 9 -1.363 -2.889 4.349 71 HB2 GLU 9 1HB GLU 9 -2.930 -4.628 5.118 72 HB3 GLU 9 2HB GLU 9 -2.427 -4.345 6.783 73 HG2 GLU 9 1HG GLU 9 -3.346 -2.104 6.706 74 HG3 GLU 9 2HG GLU 9 -3.785 -2.329 5.011 75 H GLU 10 H GLU 10 -0.020 -3.716 7.508 76 HA GLU 10 HA GLU 10 -0.068 -1.023 8.479 77 HB2 GLU 10 1HB GLU 10 -0.130 -2.919 10.021 78 HB3 GLU 10 2HB GLU 10 1.445 -3.457 9.452 79 HG2 GLU 10 1HG GLU 10 2.494 -1.488 10.363 80 HG3 GLU 10 2HG GLU 10 0.926 -0.826 10.822 81 H LYS 11 H LYS 11 2.393 -3.155 7.071 82 HA LYS 11 HA LYS 11 4.581 -1.426 7.415 83 HB2 LYS 11 1HB LYS 11 4.045 -3.757 5.626 84 HB3 LYS 11 2HB LYS 11 5.490 -2.790 5.381 85 HG2 LYS 11 1HG LYS 11 6.196 -3.237 7.663 86 HG3 LYS 11 2HG LYS 11 4.732 -4.180 7.941 87 HD2 LYS 11 1HD LYS 11 6.713 -5.582 7.454 88 HD3 LYS 11 2HD LYS 11 5.403 -5.804 6.294 89 HE2 LYS 11 1HE LYS 11 7.548 -5.698 5.152 90 HE3 LYS 11 2HE LYS 11 6.543 -4.316 4.721 91 HZ1 LYS 11 3HZ LYS 11 7.804 -2.951 6.267 92 HZ2 LYS 11 1HZ LYS 11 8.835 -3.669 5.131 93 HZ3 LYS 11 2HZ LYS 11 8.758 -4.283 6.708 94 H LEU 12 H LEU 12 2.172 -1.602 4.835 95 HA LEU 12 HA LEU 12 3.647 0.120 3.093 96 HB2 LEU 12 1HB LEU 12 1.798 -1.556 2.458 97 HB3 LEU 12 2HB LEU 12 0.676 -0.296 2.951 98 HG LEU 12 HG LEU 12 1.870 1.229 1.331 99 HD11 LEU 12 1HD1 LEU 12 3.114 0.155 -0.485 100 HD12 LEU 12 2HD1 LEU 12 3.007 -1.386 0.365 101 HD13 LEU 12 3HD1 LEU 12 3.913 -0.050 1.075 102 HD21 LEU 12 3HD2 LEU 12 0.690 0.336 -0.632 103 HD22 LEU 12 1HD2 LEU 12 -0.310 0.324 0.821 104 HD23 LEU 12 2HD2 LEU 12 0.420 -1.173 0.239 105 H LYS 13 H LYS 13 1.024 0.570 5.428 106 HA LYS 13 HA LYS 13 0.570 3.295 5.208 107 HB2 LYS 13 1HB LYS 13 -0.742 2.222 6.807 108 HB3 LYS 13 2HB LYS 13 0.626 1.364 7.497 109 HG2 LYS 13 1HG LYS 13 1.226 3.989 8.040 110 HG3 LYS 13 2HG LYS 13 -0.531 3.931 8.227 111 HD2 LYS 13 1HD LYS 13 -0.359 2.107 9.787 112 HD3 LYS 13 2HD LYS 13 1.374 1.974 9.504 113 HE2 LYS 13 1HE LYS 13 -0.098 4.220 10.875 114 HE3 LYS 13 2HE LYS 13 1.071 3.103 11.579 115 HZ1 LYS 13 3HZ LYS 13 1.995 5.302 11.130 116 HZ2 LYS 13 1HZ LYS 13 1.704 5.089 9.473 117 HZ3 LYS 13 2HZ LYS 13 2.801 4.070 10.285 118 H GLU 14 H GLU 14 3.153 1.573 6.811 119 HA GLU 14 HA GLU 14 4.541 3.820 7.809 120 HB2 GLU 14 1HB GLU 14 5.453 1.011 7.180 121 HB3 GLU 14 2HB GLU 14 6.384 2.186 8.104 122 HG2 GLU 14 1HG GLU 14 3.610 1.399 8.913 123 HG3 GLU 14 2HG GLU 14 5.026 0.451 9.395 124 H PHE 15 H PHE 15 5.014 1.812 4.907 125 HA PHE 15 HA PHE 15 7.408 3.238 4.248 126 HB2 PHE 15 1HB PHE 15 7.125 0.813 3.876 127 HB3 PHE 15 2HB PHE 15 5.878 1.151 2.687 128 HD1 PHE 15 HD1 PHE 15 9.329 2.445 3.324 129 HD2 PHE 15 HD2 PHE 15 6.594 0.713 0.558 130 HE1 PHE 15 HE1 PHE 15 11.058 2.513 1.576 131 HE2 PHE 15 HE2 PHE 15 8.320 0.785 -1.194 132 HZ PHE 15 HZ PHE 15 10.553 1.683 -0.687 133 H VAL 16 H VAL 16 4.080 3.649 3.455 134 HA VAL 16 HA VAL 16 4.758 5.370 1.184 135 HB VAL 16 HB VAL 16 2.058 4.598 2.310 136 HG11 VAL 16 1HG1 VAL 16 1.121 5.634 0.290 137 HG12 VAL 16 2HG1 VAL 16 2.732 6.202 -0.154 138 HG13 VAL 16 3HG1 VAL 16 1.953 6.811 1.307 139 HG21 VAL 16 3HG2 VAL 16 3.473 3.749 -0.213 140 HG22 VAL 16 1HG2 VAL 16 1.833 3.294 0.248 141 HG23 VAL 16 2HG2 VAL 16 3.203 2.754 1.217 142 H LYS 17 H LYS 17 2.740 5.665 4.108 143 HA LYS 17 HA LYS 17 2.542 8.483 3.857 144 HB2 LYS 17 1HB LYS 17 0.796 7.111 4.886 145 HB3 LYS 17 2HB LYS 17 1.893 6.665 6.182 146 HG2 LYS 17 1HG LYS 17 0.315 8.335 6.929 147 HG3 LYS 17 2HG LYS 17 1.952 8.988 6.934 148 HD2 LYS 17 1HD LYS 17 1.511 10.485 5.292 149 HD3 LYS 17 2HD LYS 17 0.385 9.412 4.464 150 HE2 LYS 17 1HE LYS 17 -0.663 11.450 5.455 151 HE3 LYS 17 2HE LYS 17 -1.365 9.932 6.007 152 HZ1 LYS 17 3HZ LYS 17 0.576 11.622 7.501 153 HZ2 LYS 17 1HZ LYS 17 -0.013 10.123 8.030 154 HZ3 LYS 17 2HZ LYS 17 -1.071 11.429 7.849 155 H ARG 18 H ARG 18 4.682 6.371 5.658 156 HA ARG 18 HA ARG 18 5.781 8.683 7.080 157 HB2 ARG 18 1HB ARG 18 6.277 5.735 7.498 158 HB3 ARG 18 2HB ARG 18 6.967 7.022 8.469 159 HG2 ARG 18 1HG ARG 18 4.613 7.698 9.048 160 HG3 ARG 18 2HG ARG 18 4.084 6.206 8.265 161 HD2 ARG 18 1HD ARG 18 4.272 5.834 10.647 162 HD3 ARG 18 2HD ARG 18 5.534 4.926 9.808 163 HE ARG 18 HE ARG 18 6.188 7.571 10.898 164 HH11 ARG 18 1HH1 ARG 18 6.532 4.074 11.109 165 HH12 ARG 18 2HH1 ARG 18 7.932 4.163 12.135 166 HH21 ARG 18 1HH2 ARG 18 8.020 7.664 12.244 167 HH22 ARG 18 2HH2 ARG 18 8.774 6.191 12.781 168 H HIS 19 H HIS 19 6.427 6.891 4.298 169 HA HIS 19 HA HIS 19 9.258 7.645 4.472 170 HB2 HIS 19 1HB HIS 19 8.119 5.069 3.410 171 HB3 HIS 19 2HB HIS 19 9.738 5.623 3.002 172 HD1 HIS 19 HD1 HIS 19 7.713 4.420 5.966 173 HD2 HIS 19 HD2 HIS 19 11.653 5.191 4.894 174 HE1 HIS 19 HE1 HIS 19 9.152 3.461 7.811 175 H GLN 20 H GLN 20 8.858 9.538 3.342 176 HA GLN 20 HA GLN 20 8.897 10.881 1.537 177 HB2 GLN 20 1HB GLN 20 10.291 10.189 -0.308 178 HB3 GLN 20 2HB GLN 20 10.981 9.644 1.211 179 HG2 GLN 20 1HG GLN 20 9.980 7.413 0.775 180 HG3 GLN 20 2HG GLN 20 9.512 7.993 -0.820 181 HE21 GLN 20 1HE2 GLN 20 11.113 8.394 -2.360 182 HE22 GLN 20 2HE2 GLN 20 12.711 7.740 -2.211 183 H ARG 21 H ARG 21 6.490 9.037 1.765 184 HA ARG 21 HA ARG 21 4.456 9.026 0.778 185 HB2 ARG 21 1HB ARG 21 4.962 11.302 -0.001 186 HB3 ARG 21 2HB ARG 21 5.741 10.638 -1.430 187 HG2 ARG 21 1HG ARG 21 3.606 9.681 -2.150 188 HG3 ARG 21 2HG ARG 21 2.825 10.356 -0.718 189 HD2 ARG 21 1HD ARG 21 4.210 11.942 -2.876 190 HD3 ARG 21 2HD ARG 21 2.467 11.748 -2.707 191 HE ARG 21 HE ARG 21 2.679 12.921 -0.541 192 HH11 ARG 21 1HH1 ARG 21 5.219 13.276 -2.927 193 HH12 ARG 21 2HH1 ARG 21 5.716 14.842 -2.364 194 HH21 ARG 21 1HH2 ARG 21 3.332 14.981 0.222 195 HH22 ARG 21 2HH2 ARG 21 4.666 15.801 -0.546 196 H ILE 22 H ILE 22 7.245 7.942 -0.862 197 HA ILE 22 HA ILE 22 7.718 6.167 -2.157 198 HB ILE 22 HB ILE 22 5.630 5.262 -0.618 199 HG12 ILE 22 1HG1 ILE 22 7.623 3.969 -0.939 200 HG13 ILE 22 2HG1 ILE 22 6.255 2.968 -1.397 201 HG21 ILE 22 1HG2 ILE 22 4.172 3.910 -2.042 202 HG22 ILE 22 2HG2 ILE 22 4.897 4.646 -3.475 203 HG23 ILE 22 3HG2 ILE 22 3.978 5.638 -2.341 204 HD11 ILE 22 3HD1 ILE 22 8.365 4.164 -3.134 205 HD12 ILE 22 1HD1 ILE 22 6.801 3.676 -3.790 206 HD13 ILE 22 2HD1 ILE 22 7.833 2.494 -2.990 207 H THR 23 H THR 23 7.372 5.234 -4.288 208 HA THR 23 HA THR 23 5.491 6.728 -5.968 209 HB THR 23 HB THR 23 7.029 6.021 -7.874 210 HG1 THR 23 HG1 THR 23 9.293 5.750 -6.848 211 HG21 THR 23 3HG2 THR 23 8.656 7.816 -7.454 212 HG22 THR 23 1HG2 THR 23 8.163 7.863 -5.762 213 HG23 THR 23 2HG2 THR 23 7.019 8.315 -7.027 214 H GLN 24 H GLN 24 4.642 5.391 -7.843 215 HA GLN 24 HA GLN 24 3.352 3.121 -6.842 216 HB2 GLN 24 1HB GLN 24 2.474 4.465 -8.702 217 HB3 GLN 24 2HB GLN 24 3.784 3.897 -9.730 218 HG2 GLN 24 1HG GLN 24 2.927 1.565 -9.353 219 HG3 GLN 24 2HG GLN 24 1.520 2.293 -8.581 220 HE21 GLN 24 1HE2 GLN 24 0.019 3.396 -9.830 221 HE22 GLN 24 2HE2 GLN 24 -0.008 3.276 -11.561 222 H GLU 25 H GLU 25 6.294 3.425 -8.738 223 HA GLU 25 HA GLU 25 6.644 0.855 -9.681 224 HB2 GLU 25 1HB GLU 25 8.107 2.701 -10.297 225 HB3 GLU 25 2HB GLU 25 8.736 2.785 -8.658 226 HG2 GLU 25 1HG GLU 25 10.325 1.701 -10.108 227 HG3 GLU 25 2HG GLU 25 9.709 0.551 -8.924 228 H GLU 26 H GLU 26 8.183 2.088 -6.702 229 HA GLU 26 HA GLU 26 9.075 -0.477 -5.920 230 HB2 GLU 26 1HB GLU 26 10.129 1.664 -5.228 231 HB3 GLU 26 2HB GLU 26 8.745 1.979 -4.193 232 HG2 GLU 26 1HG GLU 26 10.543 1.139 -2.865 233 HG3 GLU 26 2HG GLU 26 9.267 -0.076 -2.932 234 H LEU 27 H LEU 27 6.307 1.505 -4.897 235 HA LEU 27 HA LEU 27 5.217 -0.055 -2.934 236 HB2 LEU 27 1HB LEU 27 4.383 2.145 -3.819 237 HB3 LEU 27 2HB LEU 27 3.633 1.270 -5.136 238 HG LEU 27 HG LEU 27 2.929 0.578 -2.295 239 HD11 LEU 27 1HD1 LEU 27 2.697 2.997 -2.455 240 HD12 LEU 27 2HD1 LEU 27 1.118 2.212 -2.381 241 HD13 LEU 27 3HD1 LEU 27 1.735 2.817 -3.920 242 HD21 LEU 27 3HD2 LEU 27 2.123 -0.878 -4.096 243 HD22 LEU 27 1HD2 LEU 27 1.390 0.514 -4.895 244 HD23 LEU 27 2HD2 LEU 27 0.788 -0.019 -3.326 245 H HIS 28 H HIS 28 4.709 -0.488 -6.460 246 HA HIS 28 HA HIS 28 2.991 -2.745 -6.032 247 HB2 HIS 28 1HB HIS 28 3.043 -1.131 -8.067 248 HB3 HIS 28 2HB HIS 28 4.343 -2.163 -8.655 249 HD1 HIS 28 HD1 HIS 28 3.513 -4.906 -8.548 250 HD2 HIS 28 HD2 HIS 28 0.658 -1.916 -8.974 251 HE1 HIS 28 HE1 HIS 28 1.439 -6.029 -9.445 252 H GLN 29 H GLN 29 6.404 -2.282 -6.665 253 HA GLN 29 HA GLN 29 7.033 -5.003 -7.179 254 HB2 GLN 29 1HB GLN 29 8.494 -2.965 -7.631 255 HB3 GLN 29 2HB GLN 29 8.859 -2.957 -5.911 256 HG2 GLN 29 1HG GLN 29 10.615 -4.049 -7.189 257 HG3 GLN 29 2HG GLN 29 9.830 -5.177 -6.086 258 HE21 GLN 29 1HE2 GLN 29 8.612 -6.847 -6.897 259 HE22 GLN 29 2HE2 GLN 29 8.619 -7.290 -8.571 260 H TYR 30 H TYR 30 6.783 -3.021 -4.313 261 HA TYR 30 HA TYR 30 7.645 -4.837 -2.358 262 HB2 TYR 30 1HB TYR 30 6.834 -2.254 -2.378 263 HB3 TYR 30 2HB TYR 30 5.388 -3.009 -1.730 264 HD1 TYR 30 HD1 TYR 30 8.909 -4.012 -1.076 265 HD2 TYR 30 HD2 TYR 30 5.389 -2.182 0.458 266 HE1 TYR 30 HE1 TYR 30 9.924 -3.948 1.163 267 HE2 TYR 30 HE2 TYR 30 6.394 -2.108 2.700 268 HH TYR 30 HH TYR 30 9.693 -2.622 3.247 269 H ALA 31 H ALA 31 4.624 -4.469 -4.091 270 HA ALA 31 HA ALA 31 2.910 -5.923 -2.426 271 HB1 ALA 31 3HB ALA 31 2.749 -5.745 -5.432 272 HB2 ALA 31 1HB ALA 31 2.179 -4.502 -4.323 273 HB3 ALA 31 2HB ALA 31 1.426 -6.097 -4.320 274 H GLN 32 H GLN 32 4.540 -7.056 -5.382 275 HA GLN 32 HA GLN 32 3.672 -9.749 -4.924 276 HB2 GLN 32 1HB GLN 32 5.755 -8.743 -6.871 277 HB3 GLN 32 2HB GLN 32 4.938 -10.299 -6.924 278 HG2 GLN 32 1HG GLN 32 2.798 -9.147 -7.275 279 HG3 GLN 32 2HG GLN 32 3.642 -7.604 -7.276 280 HE21 GLN 32 1HE2 GLN 32 4.847 -10.562 -8.738 281 HE22 GLN 32 2HE2 GLN 32 4.752 -10.006 -10.373 282 H ARG 33 H ARG 33 6.206 -7.910 -3.702 283 HA ARG 33 HA ARG 33 8.017 -10.120 -3.267 284 HB2 ARG 33 1HB ARG 33 8.740 -7.715 -3.571 285 HB3 ARG 33 2HB ARG 33 8.076 -7.391 -1.977 286 HG2 ARG 33 1HG ARG 33 9.628 -9.105 -1.052 287 HG3 ARG 33 2HG ARG 33 10.357 -9.229 -2.656 288 HD2 ARG 33 1HD ARG 33 10.271 -6.812 -0.859 289 HD3 ARG 33 2HD ARG 33 11.690 -7.736 -1.350 290 HE ARG 33 HE ARG 33 10.876 -6.928 -3.714 291 HH11 ARG 33 1HH1 ARG 33 11.127 -5.148 -0.719 292 HH12 ARG 33 2HH1 ARG 33 11.281 -3.601 -1.496 293 HH21 ARG 33 1HH2 ARG 33 11.089 -4.900 -4.750 294 HH22 ARG 33 2HH2 ARG 33 11.208 -3.445 -3.797 295 H LEU 34 H LEU 34 5.577 -8.325 -1.457 296 HA LEU 34 HA LEU 34 6.235 -9.818 0.967 297 HB2 LEU 34 1HB LEU 34 4.330 -7.519 0.557 298 HB3 LEU 34 2HB LEU 34 4.699 -8.264 2.101 299 HG LEU 34 HG LEU 34 6.544 -6.641 0.361 300 HD11 LEU 34 1HD1 LEU 34 6.645 -5.147 2.222 301 HD12 LEU 34 2HD1 LEU 34 5.667 -6.234 3.203 302 HD13 LEU 34 3HD1 LEU 34 4.954 -5.426 1.807 303 HD21 LEU 34 3HD2 LEU 34 8.267 -7.042 2.058 304 HD22 LEU 34 1HD2 LEU 34 7.801 -8.523 1.221 305 HD23 LEU 34 2HD2 LEU 34 7.202 -8.204 2.850 306 H GLY 35 H GLY 35 3.761 -9.646 -1.475 307 HA2 GLY 35 1HA GLY 35 2.516 -11.776 -1.698 308 HA3 GLY 35 2HA GLY 35 2.265 -11.703 0.039 309 H LEU 36 H LEU 36 1.956 -9.110 -2.362 310 HA LEU 36 HA LEU 36 -0.823 -8.785 -1.439 311 HB2 LEU 36 1HB LEU 36 0.756 -6.671 -2.858 312 HB3 LEU 36 2HB LEU 36 -0.697 -6.493 -1.898 313 HG LEU 36 HG LEU 36 2.081 -7.047 -0.866 314 HD11 LEU 36 1HD1 LEU 36 1.589 -4.734 -1.551 315 HD12 LEU 36 2HD1 LEU 36 1.830 -4.884 0.188 316 HD13 LEU 36 3HD1 LEU 36 0.200 -4.725 -0.466 317 HD21 LEU 36 3HD2 LEU 36 0.580 -8.336 0.470 318 HD22 LEU 36 1HD2 LEU 36 -0.571 -7.006 0.569 319 HD23 LEU 36 2HD2 LEU 36 0.990 -6.880 1.376 320 H ASN 37 H ASN 37 -2.086 -7.487 -3.083 321 HA ASN 37 HA ASN 37 -1.553 -8.291 -5.828 322 HB2 ASN 37 1HB ASN 37 -4.071 -8.766 -6.044 323 HB3 ASN 37 2HB ASN 37 -3.082 -9.988 -5.258 324 HD21 ASN 37 1HD2 ASN 37 -4.001 -7.001 -3.665 325 HD22 ASN 37 2HD2 ASN 37 -5.075 -7.738 -2.514 326 H GLU 38 H GLU 38 -2.445 -6.958 -7.364 327 HA GLU 38 HA GLU 38 -2.586 -4.277 -7.123 328 HB2 GLU 38 1HB GLU 38 -4.133 -4.334 -9.136 329 HB3 GLU 38 2HB GLU 38 -2.609 -5.205 -9.279 330 HG2 GLU 38 1HG GLU 38 -3.655 -7.287 -8.995 331 HG3 GLU 38 2HG GLU 38 -5.161 -6.542 -8.463 332 H GLU 39 H GLU 39 -5.103 -6.453 -6.131 333 HA GLU 39 HA GLU 39 -7.381 -4.927 -6.040 334 HB2 GLU 39 1HB GLU 39 -7.433 -7.238 -5.415 335 HB3 GLU 39 2HB GLU 39 -6.268 -6.984 -4.126 336 HG2 GLU 39 1HG GLU 39 -8.395 -7.281 -3.131 337 HG3 GLU 39 2HG GLU 39 -7.969 -5.577 -2.968 338 H ALA 40 H ALA 40 -4.933 -5.254 -3.517 339 HA ALA 40 HA ALA 40 -6.131 -3.204 -1.902 340 HB1 ALA 40 3HB ALA 40 -3.514 -4.662 -1.580 341 HB2 ALA 40 1HB ALA 40 -5.063 -5.152 -0.895 342 HB3 ALA 40 2HB ALA 40 -4.297 -3.654 -0.363 343 H ILE 41 H ILE 41 -3.803 -3.356 -4.389 344 HA ILE 41 HA ILE 41 -2.120 -1.220 -3.709 345 HB ILE 41 HB ILE 41 -2.909 -2.119 -6.474 346 HG12 ILE 41 1HG1 ILE 41 -1.982 -3.905 -4.948 347 HG13 ILE 41 2HG1 ILE 41 -1.080 -3.634 -6.438 348 HG21 ILE 41 1HG2 ILE 41 -1.847 0.058 -6.493 349 HG22 ILE 41 2HG2 ILE 41 -0.769 -1.158 -7.178 350 HG23 ILE 41 3HG2 ILE 41 -0.505 -0.569 -5.535 351 HD11 ILE 41 3HD1 ILE 41 0.411 -3.950 -4.629 352 HD12 ILE 41 1HD1 ILE 41 -0.367 -2.677 -3.696 353 HD13 ILE 41 2HD1 ILE 41 0.509 -2.277 -5.173 354 H ARG 42 H ARG 42 -4.827 -1.230 -6.052 355 HA ARG 42 HA ARG 42 -4.886 1.597 -6.285 356 HB2 ARG 42 1HB ARG 42 -5.843 0.029 -7.984 357 HB3 ARG 42 2HB ARG 42 -7.145 -0.333 -6.856 358 HG2 ARG 42 1HG ARG 42 -7.586 2.190 -6.860 359 HG3 ARG 42 2HG ARG 42 -6.562 2.226 -8.294 360 HD2 ARG 42 1HD ARG 42 -8.684 2.016 -9.191 361 HD3 ARG 42 2HD ARG 42 -8.111 0.350 -9.160 362 HE ARG 42 HE ARG 42 -9.522 1.015 -6.767 363 HH11 ARG 42 1HH1 ARG 42 -9.966 0.125 -10.128 364 HH12 ARG 42 2HH1 ARG 42 -11.571 -0.499 -9.875 365 HH21 ARG 42 1HH2 ARG 42 -11.626 0.249 -6.433 366 HH22 ARG 42 2HH2 ARG 42 -12.536 -0.402 -7.767 367 H GLN 43 H GLN 43 -6.499 -0.712 -4.222 368 HA GLN 43 HA GLN 43 -8.558 0.889 -3.233 369 HB2 GLN 43 1HB GLN 43 -8.077 -1.645 -2.899 370 HB3 GLN 43 2HB GLN 43 -7.123 -1.115 -1.518 371 HG2 GLN 43 1HG GLN 43 -9.198 0.120 -0.740 372 HG3 GLN 43 2HG GLN 43 -10.073 -0.807 -1.958 373 HE21 GLN 43 1HE2 GLN 43 -7.345 -1.994 -0.117 374 HE22 GLN 43 2HE2 GLN 43 -8.226 -3.152 0.812 375 H PHE 44 H PHE 44 -5.192 0.554 -2.221 376 HA PHE 44 HA PHE 44 -5.431 2.117 0.144 377 HB2 PHE 44 1HB PHE 44 -3.569 0.434 -0.667 378 HB3 PHE 44 2HB PHE 44 -2.849 1.882 -1.356 379 HD1 PHE 44 HD1 PHE 44 -4.244 0.598 1.849 380 HD2 PHE 44 HD2 PHE 44 -1.405 3.135 -0.053 381 HE1 PHE 44 HE1 PHE 44 -3.229 1.093 4.035 382 HE2 PHE 44 HE2 PHE 44 -0.381 3.630 2.134 383 HZ PHE 44 HZ PHE 44 -1.296 2.605 4.181 384 H PHE 45 H PHE 45 -4.835 2.854 -3.219 385 HA PHE 45 HA PHE 45 -4.066 5.583 -2.717 386 HB2 PHE 45 1HB PHE 45 -4.687 4.032 -5.221 387 HB3 PHE 45 2HB PHE 45 -4.438 5.773 -5.258 388 HD1 PHE 45 HD1 PHE 45 -2.227 6.612 -4.162 389 HD2 PHE 45 HD2 PHE 45 -2.886 2.627 -5.500 390 HE1 PHE 45 HE1 PHE 45 0.204 6.273 -4.332 391 HE2 PHE 45 HE2 PHE 45 -0.456 2.280 -5.673 392 HZ PHE 45 HZ PHE 45 1.092 4.105 -5.089 393 H GLU 46 H GLU 46 -6.975 3.933 -3.915 394 HA GLU 46 HA GLU 46 -8.361 6.395 -4.409 395 HB2 GLU 46 1HB GLU 46 -10.123 5.075 -5.214 396 HB3 GLU 46 2HB GLU 46 -8.690 4.127 -5.572 397 HG2 GLU 46 1HG GLU 46 -9.113 2.763 -3.571 398 HG3 GLU 46 2HG GLU 46 -10.589 3.684 -3.285 399 H GLU 47 H GLU 47 -8.330 3.993 -1.855 400 HA GLU 47 HA GLU 47 -10.228 5.645 -0.346 401 HB2 GLU 47 1HB GLU 47 -10.775 3.206 -0.901 402 HB3 GLU 47 2HB GLU 47 -9.564 2.821 0.305 403 HG2 GLU 47 1HG GLU 47 -10.812 4.034 1.996 404 HG3 GLU 47 2HG GLU 47 -12.022 4.472 0.791 405 H PHE 48 H PHE 48 -7.596 6.463 -0.486 406 HA PHE 48 HA PHE 48 -6.092 5.676 1.780 407 HB2 PHE 48 1HB PHE 48 -5.430 7.181 -0.289 408 HB3 PHE 48 2HB PHE 48 -6.013 8.484 0.738 409 HD1 PHE 48 HD1 PHE 48 -3.702 5.572 0.832 410 HD2 PHE 48 HD2 PHE 48 -4.546 9.519 2.176 411 HE1 PHE 48 HE1 PHE 48 -1.523 5.646 1.966 412 HE2 PHE 48 HE2 PHE 48 -2.365 9.601 3.315 413 HZ PHE 48 HZ PHE 48 -0.853 7.658 3.210 414 H GLU 49 H GLU 49 -5.696 7.184 3.651 415 HA GLU 49 HA GLU 49 -8.075 7.495 5.098 416 HB2 GLU 49 1HB GLU 49 -6.680 8.535 6.818 417 HB3 GLU 49 2HB GLU 49 -5.906 7.103 6.153 418 HG2 GLU 49 1HG GLU 49 -4.426 8.450 4.824 419 HG3 GLU 49 2HG GLU 49 -5.258 9.921 5.323 420 H GLN 50 H GLN 50 -6.391 9.696 3.007 421 HA GLN 50 HA GLN 50 -7.953 11.953 4.045 422 HB2 GLN 50 1HB GLN 50 -5.635 12.045 2.115 423 HB3 GLN 50 2HB GLN 50 -6.365 13.402 2.962 424 HG2 GLN 50 1HG GLN 50 -5.583 12.490 5.089 425 HG3 GLN 50 2HG GLN 50 -4.852 11.134 4.232 426 HE21 GLN 50 1HE2 GLN 50 -4.022 12.855 1.987 427 HE22 GLN 50 2HE2 GLN 50 -2.656 13.740 2.571 428 H ARG 51 H ARG 51 -8.314 9.668 1.743 429 HA ARG 51 HA ARG 51 -9.324 11.548 -0.274 430 HB2 ARG 51 1HB ARG 51 -7.759 9.151 -0.477 431 HB3 ARG 51 2HB ARG 51 -9.264 8.954 -1.369 432 HG2 ARG 51 1HG ARG 51 -8.785 11.089 -2.533 433 HG3 ARG 51 2HG ARG 51 -7.223 11.131 -1.713 434 HD2 ARG 51 1HD ARG 51 -6.522 9.126 -2.786 435 HD3 ARG 51 2HD ARG 51 -8.134 8.841 -3.438 436 HE ARG 51 HE ARG 51 -7.447 11.244 -4.490 437 HH11 ARG 51 1HH1 ARG 51 -5.853 8.133 -4.379 438 HH12 ARG 51 2HH1 ARG 51 -5.057 8.347 -5.908 439 HH21 ARG 51 1HH2 ARG 51 -6.458 11.508 -6.520 440 HH22 ARG 51 2HH2 ARG 51 -5.433 10.245 -7.155 441 H LYS 52 H LYS 52 -10.772 10.770 2.090 442 HA LYS 52 HA LYS 52 -13.209 9.999 0.726 443 HB2 LYS 52 1HB LYS 52 -12.095 8.521 3.113 444 HB3 LYS 52 2HB LYS 52 -13.803 8.484 2.709 445 HG2 LYS 52 1HG LYS 52 -11.753 7.695 0.678 446 HG3 LYS 52 2HG LYS 52 -12.269 6.562 1.925 447 HD2 LYS 52 1HD LYS 52 -14.602 6.838 1.195 448 HD3 LYS 52 2HD LYS 52 -14.072 7.940 -0.073 449 HE2 LYS 52 1HE LYS 52 -13.175 5.080 0.187 450 HE3 LYS 52 2HE LYS 52 -14.489 5.623 -0.853 451 HZ1 LYS 52 3HZ LYS 52 -11.694 6.591 -1.066 452 HZ2 LYS 52 1HZ LYS 52 -12.968 6.929 -2.128 453 HZ3 LYS 52 2HZ LYS 52 -12.350 5.358 -2.015 Start of MODEL 15 1 H1 MET 1 1H MET 1 -12.305 -12.752 3.314 2 H2 MET 1 2H MET 1 -10.744 -13.385 3.090 3 H3 MET 1 3H MET 1 -11.039 -11.742 2.798 4 HA MET 1 HA MET 1 -11.510 -11.369 5.119 5 HB2 MET 1 1HB MET 1 -12.389 -13.626 5.602 6 HB3 MET 1 2HB MET 1 -10.770 -14.291 5.431 7 HG2 MET 1 1HG MET 1 -10.007 -13.089 7.357 8 HG3 MET 1 2HG MET 1 -11.544 -12.233 7.485 9 HE1 MET 1 3HE MET 1 -11.788 -12.911 10.052 10 HE2 MET 1 1HE MET 1 -10.217 -13.707 9.940 11 HE3 MET 1 2HE MET 1 -11.591 -14.567 10.634 12 H LYS 2 H LYS 2 -9.772 -10.022 5.358 13 HA LYS 2 HA LYS 2 -7.645 -9.199 5.220 14 HB2 LYS 2 1HB LYS 2 -6.865 -12.052 5.878 15 HB3 LYS 2 2HB LYS 2 -5.758 -10.684 5.866 16 HG2 LYS 2 1HG LYS 2 -7.097 -9.614 7.626 17 HG3 LYS 2 2HG LYS 2 -8.148 -11.028 7.665 18 HD2 LYS 2 1HD LYS 2 -6.241 -12.425 8.303 19 HD3 LYS 2 2HD LYS 2 -5.194 -11.006 8.271 20 HE2 LYS 2 1HE LYS 2 -6.567 -9.973 10.028 21 HE3 LYS 2 2HE LYS 2 -7.578 -11.416 10.073 22 HZ1 LYS 2 3HZ LYS 2 -5.933 -11.426 11.837 23 HZ2 LYS 2 1HZ LYS 2 -4.675 -11.318 10.706 24 HZ3 LYS 2 2HZ LYS 2 -5.656 -12.708 10.759 25 H GLN 3 H GLN 3 -7.463 -8.564 3.193 26 HA GLN 3 HA GLN 3 -7.395 -10.530 1.039 27 HB2 GLN 3 1HB GLN 3 -7.497 -7.507 0.874 28 HB3 GLN 3 2HB GLN 3 -7.725 -8.625 -0.462 29 HG2 GLN 3 1HG GLN 3 -9.539 -8.275 1.916 30 HG3 GLN 3 2HG GLN 3 -9.847 -7.760 0.258 31 HE21 GLN 3 1HE2 GLN 3 -10.344 -9.288 -1.299 32 HE22 GLN 3 2HE2 GLN 3 -10.885 -10.881 -0.874 33 H TRP 4 H TRP 4 -5.535 -7.822 2.263 34 HA TRP 4 HA TRP 4 -3.172 -8.623 0.794 35 HB2 TRP 4 1HB TRP 4 -2.261 -6.750 2.495 36 HB3 TRP 4 2HB TRP 4 -3.065 -6.349 0.994 37 HD1 TRP 4 HD1 TRP 4 -4.664 -4.406 1.334 38 HE1 TRP 4 HE1 TRP 4 -6.321 -3.654 3.150 39 HE3 TRP 4 HE3 TRP 4 -3.756 -8.040 4.753 40 HZ2 TRP 4 HZ2 TRP 4 -7.128 -4.504 5.729 41 HZ3 TRP 4 HZ3 TRP 4 -5.001 -8.019 6.885 42 HH2 TRP 4 HH2 TRP 4 -6.650 -6.281 7.360 43 H SER 5 H SER 5 -1.106 -8.828 2.212 44 HA SER 5 HA SER 5 -1.594 -10.508 4.489 45 HB2 SER 5 1HB SER 5 0.984 -9.214 3.572 46 HB3 SER 5 2HB SER 5 0.838 -10.536 4.731 47 HG SER 5 HG SER 5 0.168 -11.880 3.107 48 H GLU 6 H GLU 6 -2.267 -9.680 6.351 49 HA GLU 6 HA GLU 6 -2.579 -7.114 7.115 50 HB2 GLU 6 1HB GLU 6 -2.562 -7.852 9.449 51 HB3 GLU 6 2HB GLU 6 -3.454 -8.950 8.405 52 HG2 GLU 6 1HG GLU 6 -1.282 -10.274 8.291 53 HG3 GLU 6 2HG GLU 6 -0.785 -9.330 9.691 54 H ASN 7 H ASN 7 0.458 -8.844 7.366 55 HA ASN 7 HA ASN 7 1.834 -6.929 8.935 56 HB2 ASN 7 1HB ASN 7 2.854 -8.965 6.949 57 HB3 ASN 7 2HB ASN 7 3.888 -8.029 8.025 58 HD21 ASN 7 1HD2 ASN 7 3.477 -10.914 7.810 59 HD22 ASN 7 2HD2 ASN 7 2.977 -11.438 9.387 60 H VAL 8 H VAL 8 1.446 -7.411 5.479 61 HA VAL 8 HA VAL 8 3.189 -5.359 4.619 62 HB VAL 8 HB VAL 8 0.745 -6.397 3.179 63 HG11 VAL 8 1HG1 VAL 8 3.195 -4.902 2.275 64 HG12 VAL 8 2HG1 VAL 8 1.507 -4.394 2.177 65 HG13 VAL 8 3HG1 VAL 8 2.091 -5.721 1.176 66 HG21 VAL 8 3HG2 VAL 8 2.241 -7.960 2.054 67 HG22 VAL 8 1HG2 VAL 8 2.212 -8.247 3.795 68 HG23 VAL 8 2HG2 VAL 8 3.585 -7.412 3.062 69 H GLU 9 H GLU 9 -0.331 -5.509 4.992 70 HA GLU 9 HA GLU 9 -0.995 -2.951 4.187 71 HB2 GLU 9 1HB GLU 9 -2.642 -4.668 4.605 72 HB3 GLU 9 2HB GLU 9 -2.231 -4.707 6.314 73 HG2 GLU 9 1HG GLU 9 -3.156 -2.125 5.199 74 HG3 GLU 9 2HG GLU 9 -4.346 -3.416 5.347 75 H GLU 10 H GLU 10 0.028 -4.088 7.351 76 HA GLU 10 HA GLU 10 -0.195 -1.633 8.714 77 HB2 GLU 10 1HB GLU 10 -0.043 -3.563 10.053 78 HB3 GLU 10 2HB GLU 10 1.375 -4.153 9.195 79 HG2 GLU 10 1HG GLU 10 2.743 -2.451 10.171 80 HG3 GLU 10 2HG GLU 10 1.339 -1.697 10.926 81 H LYS 11 H LYS 11 2.605 -3.219 7.168 82 HA LYS 11 HA LYS 11 4.298 -1.016 7.942 83 HB2 LYS 11 1HB LYS 11 5.013 -3.409 7.990 84 HB3 LYS 11 2HB LYS 11 5.031 -3.382 6.228 85 HG2 LYS 11 1HG LYS 11 6.796 -1.831 6.167 86 HG3 LYS 11 2HG LYS 11 6.613 -1.431 7.872 87 HD2 LYS 11 1HD LYS 11 7.476 -4.119 6.818 88 HD3 LYS 11 2HD LYS 11 8.572 -2.872 7.419 89 HE2 LYS 11 1HE LYS 11 6.404 -4.269 8.984 90 HE3 LYS 11 2HE LYS 11 8.140 -4.521 9.148 91 HZ1 LYS 11 3HZ LYS 11 7.357 -3.087 10.886 92 HZ2 LYS 11 1HZ LYS 11 6.651 -2.019 9.777 93 HZ3 LYS 11 2HZ LYS 11 8.341 -2.183 9.846 94 H LEU 12 H LEU 12 2.407 -1.786 5.203 95 HA LEU 12 HA LEU 12 3.791 -0.260 3.252 96 HB2 LEU 12 1HB LEU 12 1.866 -1.807 2.792 97 HB3 LEU 12 2HB LEU 12 0.799 -0.631 3.538 98 HG LEU 12 HG LEU 12 1.583 1.018 1.784 99 HD11 LEU 12 1HD1 LEU 12 3.612 -0.096 1.102 100 HD12 LEU 12 2HD1 LEU 12 2.512 0.042 -0.272 101 HD13 LEU 12 3HD1 LEU 12 2.693 -1.501 0.564 102 HD21 LEU 12 3HD2 LEU 12 0.086 -1.459 0.949 103 HD22 LEU 12 1HD2 LEU 12 0.120 0.051 0.035 104 HD23 LEU 12 2HD2 LEU 12 -0.593 0.009 1.647 105 H LYS 13 H LYS 13 1.184 0.479 5.505 106 HA LYS 13 HA LYS 13 0.921 3.206 5.245 107 HB2 LYS 13 1HB LYS 13 -0.530 2.091 6.719 108 HB3 LYS 13 2HB LYS 13 0.792 1.324 7.583 109 HG2 LYS 13 1HG LYS 13 1.413 3.648 8.394 110 HG3 LYS 13 2HG LYS 13 -0.165 4.161 7.782 111 HD2 LYS 13 1HD LYS 13 -1.302 2.615 9.216 112 HD3 LYS 13 2HD LYS 13 0.221 1.874 9.709 113 HE2 LYS 13 1HE LYS 13 0.884 4.025 10.739 114 HE3 LYS 13 2HE LYS 13 -0.702 4.681 10.323 115 HZ1 LYS 13 3HZ LYS 13 -0.218 2.334 12.077 116 HZ2 LYS 13 1HZ LYS 13 -1.732 3.001 11.712 117 HZ3 LYS 13 2HZ LYS 13 -0.601 3.890 12.616 118 H GLU 14 H GLU 14 3.290 1.373 7.114 119 HA GLU 14 HA GLU 14 4.584 3.621 8.238 120 HB2 GLU 14 1HB GLU 14 5.638 0.820 7.821 121 HB3 GLU 14 2HB GLU 14 6.353 2.041 8.865 122 HG2 GLU 14 1HG GLU 14 4.276 2.077 10.192 123 HG3 GLU 14 2HG GLU 14 3.649 0.767 9.186 124 H PHE 15 H PHE 15 5.402 1.568 5.445 125 HA PHE 15 HA PHE 15 7.902 2.807 4.985 126 HB2 PHE 15 1HB PHE 15 7.308 0.525 4.264 127 HB3 PHE 15 2HB PHE 15 6.173 1.199 3.104 128 HD1 PHE 15 HD1 PHE 15 9.733 1.818 4.045 129 HD2 PHE 15 HD2 PHE 15 6.917 1.070 0.940 130 HE1 PHE 15 HE1 PHE 15 11.544 1.919 2.385 131 HE2 PHE 15 HE2 PHE 15 8.723 1.166 -0.722 132 HZ PHE 15 HZ PHE 15 11.042 1.592 -0.002 133 H VAL 16 H VAL 16 4.669 3.580 3.980 134 HA VAL 16 HA VAL 16 5.629 5.558 2.077 135 HB VAL 16 HB VAL 16 2.806 4.936 2.985 136 HG11 VAL 16 1HG1 VAL 16 3.782 6.687 0.725 137 HG12 VAL 16 2HG1 VAL 16 2.998 7.239 2.208 138 HG13 VAL 16 3HG1 VAL 16 2.099 6.263 1.045 139 HG21 VAL 16 3HG2 VAL 16 2.567 3.865 0.801 140 HG22 VAL 16 1HG2 VAL 16 3.828 3.092 1.759 141 HG23 VAL 16 2HG2 VAL 16 4.264 4.191 0.451 142 H LYS 17 H LYS 17 3.431 5.675 4.902 143 HA LYS 17 HA LYS 17 3.505 8.516 5.008 144 HB2 LYS 17 1HB LYS 17 2.517 6.536 7.063 145 HB3 LYS 17 2HB LYS 17 2.219 8.266 7.089 146 HG2 LYS 17 1HG LYS 17 1.328 6.480 4.842 147 HG3 LYS 17 2HG LYS 17 0.334 6.844 6.251 148 HD2 LYS 17 1HD LYS 17 1.479 8.909 4.374 149 HD3 LYS 17 2HD LYS 17 -0.166 8.278 4.290 150 HE2 LYS 17 1HE LYS 17 1.057 9.792 6.594 151 HE3 LYS 17 2HE LYS 17 -0.118 10.420 5.442 152 HZ1 LYS 17 3HZ LYS 17 -1.263 9.813 7.415 153 HZ2 LYS 17 1HZ LYS 17 -0.549 8.276 7.451 154 HZ3 LYS 17 2HZ LYS 17 -1.666 8.668 6.237 155 H ARG 18 H ARG 18 5.031 5.983 6.967 156 HA ARG 18 HA ARG 18 6.225 7.981 8.711 157 HB2 ARG 18 1HB ARG 18 6.713 5.013 8.828 158 HB3 ARG 18 2HB ARG 18 6.843 6.186 10.127 159 HG2 ARG 18 1HG ARG 18 4.376 6.485 10.012 160 HG3 ARG 18 2HG ARG 18 4.321 5.179 8.835 161 HD2 ARG 18 1HD ARG 18 3.808 4.308 11.026 162 HD3 ARG 18 2HD ARG 18 5.363 3.678 10.486 163 HE ARG 18 HE ARG 18 5.632 6.049 12.068 164 HH11 ARG 18 1HH1 ARG 18 5.304 2.551 12.225 165 HH12 ARG 18 2HH1 ARG 18 5.925 2.445 13.841 166 HH21 ARG 18 1HH2 ARG 18 6.428 5.905 14.178 167 HH22 ARG 18 2HH2 ARG 18 6.550 4.360 14.967 168 H HIS 19 H HIS 19 7.032 7.144 5.739 169 HA HIS 19 HA HIS 19 9.904 7.203 6.283 170 HB2 HIS 19 1HB HIS 19 8.484 5.055 4.744 171 HB3 HIS 19 2HB HIS 19 10.167 5.445 4.412 172 HD1 HIS 19 HD1 HIS 19 7.962 4.011 7.125 173 HD2 HIS 19 HD2 HIS 19 11.984 4.471 6.202 174 HE1 HIS 19 HE1 HIS 19 9.241 2.612 8.802 175 H GLN 20 H GLN 20 9.690 6.270 3.237 176 HA GLN 20 HA GLN 20 10.524 8.854 2.313 177 HB2 GLN 20 1HB GLN 20 11.804 6.917 1.711 178 HB3 GLN 20 2HB GLN 20 10.388 6.109 1.064 179 HG2 GLN 20 1HG GLN 20 11.745 6.842 -0.747 180 HG3 GLN 20 2HG GLN 20 10.277 7.812 -0.713 181 HE21 GLN 20 1HE2 GLN 20 13.713 7.787 -0.165 182 HE22 GLN 20 2HE2 GLN 20 13.924 9.506 -0.158 183 H ARG 21 H ARG 21 7.572 7.166 2.295 184 HA ARG 21 HA ARG 21 5.576 7.400 1.302 185 HB2 ARG 21 1HB ARG 21 6.685 9.896 0.016 186 HB3 ARG 21 2HB ARG 21 4.999 9.422 0.101 187 HG2 ARG 21 1HG ARG 21 5.191 9.520 2.601 188 HG3 ARG 21 2HG ARG 21 6.778 10.255 2.370 189 HD2 ARG 21 1HD ARG 21 4.117 11.327 1.454 190 HD3 ARG 21 2HD ARG 21 5.171 12.002 2.697 191 HE ARG 21 HE ARG 21 6.737 12.014 0.484 192 HH11 ARG 21 1HH1 ARG 21 3.540 13.270 1.198 193 HH12 ARG 21 2HH1 ARG 21 3.642 14.530 -0.001 194 HH21 ARG 21 1HH2 ARG 21 6.856 13.663 -1.077 195 HH22 ARG 21 2HH2 ARG 21 5.512 14.741 -1.306 196 H ILE 22 H ILE 22 8.154 8.264 -0.974 197 HA ILE 22 HA ILE 22 9.058 7.199 -2.714 198 HB ILE 22 HB ILE 22 8.961 5.293 -1.075 199 HG12 ILE 22 1HG1 ILE 22 8.823 4.351 -3.933 200 HG13 ILE 22 2HG1 ILE 22 10.183 5.293 -3.305 201 HG21 ILE 22 1HG2 ILE 22 6.579 4.558 -2.732 202 HG22 ILE 22 2HG2 ILE 22 6.686 4.709 -0.981 203 HG23 ILE 22 3HG2 ILE 22 7.494 3.373 -1.804 204 HD11 ILE 22 3HD1 ILE 22 10.579 3.565 -1.625 205 HD12 ILE 22 1HD1 ILE 22 10.681 2.931 -3.269 206 HD13 ILE 22 2HD1 ILE 22 9.243 2.628 -2.294 207 H THR 23 H THR 23 8.817 6.609 -4.860 208 HA THR 23 HA THR 23 6.541 7.571 -6.194 209 HB THR 23 HB THR 23 7.642 6.480 -8.213 210 HG1 THR 23 HG1 THR 23 9.955 5.913 -7.586 211 HG21 THR 23 3HG2 THR 23 9.318 8.304 -6.481 212 HG22 THR 23 1HG2 THR 23 8.066 8.810 -7.615 213 HG23 THR 23 2HG2 THR 23 9.540 8.047 -8.212 214 H GLN 24 H GLN 24 5.014 6.465 -7.490 215 HA GLN 24 HA GLN 24 3.883 4.250 -6.166 216 HB2 GLN 24 1HB GLN 24 3.171 5.583 -8.739 217 HB3 GLN 24 2HB GLN 24 2.236 4.266 -8.060 218 HG2 GLN 24 1HG GLN 24 1.057 5.970 -7.175 219 HG3 GLN 24 2HG GLN 24 2.307 5.864 -5.936 220 HE21 GLN 24 1HE2 GLN 24 0.661 8.126 -6.758 221 HE22 GLN 24 2HE2 GLN 24 1.759 9.386 -7.214 222 H GLU 25 H GLU 25 5.871 4.481 -9.047 223 HA GLU 25 HA GLU 25 5.339 1.930 -10.103 224 HB2 GLU 25 1HB GLU 25 6.601 3.649 -11.331 225 HB3 GLU 25 2HB GLU 25 7.928 3.490 -10.185 226 HG2 GLU 25 1HG GLU 25 8.234 1.159 -10.878 227 HG3 GLU 25 2HG GLU 25 6.925 1.342 -12.043 228 H GLU 26 H GLU 26 8.009 2.983 -8.020 229 HA GLU 26 HA GLU 26 9.044 0.440 -7.453 230 HB2 GLU 26 1HB GLU 26 10.236 2.562 -7.052 231 HB3 GLU 26 2HB GLU 26 9.092 2.961 -5.784 232 HG2 GLU 26 1HG GLU 26 11.089 2.196 -4.762 233 HG3 GLU 26 2HG GLU 26 9.857 0.955 -4.541 234 H LEU 27 H LEU 27 6.571 2.402 -5.898 235 HA LEU 27 HA LEU 27 6.146 0.738 -3.669 236 HB2 LEU 27 1HB LEU 27 5.435 3.155 -4.033 237 HB3 LEU 27 2HB LEU 27 4.079 2.524 -4.934 238 HG LEU 27 HG LEU 27 3.198 1.427 -2.968 239 HD11 LEU 27 1HD1 LEU 27 4.345 1.929 -0.742 240 HD12 LEU 27 2HD1 LEU 27 5.780 2.297 -1.698 241 HD13 LEU 27 3HD1 LEU 27 5.066 0.684 -1.756 242 HD21 LEU 27 3HD2 LEU 27 2.709 3.382 -1.590 243 HD22 LEU 27 1HD2 LEU 27 2.646 3.795 -3.302 244 HD23 LEU 27 2HD2 LEU 27 4.046 4.254 -2.338 245 H HIS 28 H HIS 28 4.922 0.576 -6.946 246 HA HIS 28 HA HIS 28 2.845 -1.309 -6.250 247 HB2 HIS 28 1HB HIS 28 3.721 0.052 -8.716 248 HB3 HIS 28 2HB HIS 28 3.010 -1.553 -8.930 249 HD1 HIS 28 HD1 HIS 28 1.847 0.367 -6.033 250 HD2 HIS 28 HD2 HIS 28 0.651 -0.276 -9.951 251 HE1 HIS 28 HE1 HIS 28 -0.548 1.050 -6.140 252 H GLN 29 H GLN 29 6.106 -1.490 -7.612 253 HA GLN 29 HA GLN 29 6.154 -4.302 -7.824 254 HB2 GLN 29 1HB GLN 29 8.000 -2.851 -8.656 255 HB3 GLN 29 2HB GLN 29 8.445 -2.509 -6.987 256 HG2 GLN 29 1HG GLN 29 8.552 -5.122 -6.809 257 HG3 GLN 29 2HG GLN 29 8.750 -5.018 -8.557 258 HE21 GLN 29 1HE2 GLN 29 9.890 -2.617 -6.318 259 HE22 GLN 29 2HE2 GLN 29 11.578 -2.889 -6.578 260 H TYR 30 H TYR 30 6.742 -2.065 -5.180 261 HA TYR 30 HA TYR 30 7.455 -3.890 -3.187 262 HB2 TYR 30 1HB TYR 30 7.600 -1.352 -3.129 263 HB3 TYR 30 2HB TYR 30 5.882 -1.346 -2.759 264 HD1 TYR 30 HD1 TYR 30 9.043 -2.919 -1.521 265 HD2 TYR 30 HD2 TYR 30 5.265 -1.230 -0.535 266 HE1 TYR 30 HE1 TYR 30 9.573 -3.143 0.870 267 HE2 TYR 30 HE2 TYR 30 5.782 -1.449 1.856 268 HH TYR 30 HH TYR 30 7.246 -2.805 3.309 269 H ALA 31 H ALA 31 4.248 -2.652 -4.174 270 HA ALA 31 HA ALA 31 2.628 -3.905 -2.346 271 HB1 ALA 31 3HB ALA 31 0.918 -3.941 -4.149 272 HB2 ALA 31 1HB ALA 31 2.181 -3.524 -5.308 273 HB3 ALA 31 2HB ALA 31 1.759 -2.394 -4.020 274 H GLN 32 H GLN 32 3.499 -5.285 -5.527 275 HA GLN 32 HA GLN 32 2.283 -7.778 -4.870 276 HB2 GLN 32 1HB GLN 32 2.470 -6.820 -7.179 277 HB3 GLN 32 2HB GLN 32 4.183 -7.212 -7.143 278 HG2 GLN 32 1HG GLN 32 2.884 -8.894 -8.335 279 HG3 GLN 32 2HG GLN 32 3.669 -9.562 -6.904 280 HE21 GLN 32 1HE2 GLN 32 0.647 -8.672 -8.368 281 HE22 GLN 32 2HE2 GLN 32 -0.372 -9.477 -7.219 282 H ARG 33 H ARG 33 5.511 -6.492 -4.586 283 HA ARG 33 HA ARG 33 6.927 -8.898 -4.353 284 HB2 ARG 33 1HB ARG 33 8.086 -6.787 -4.607 285 HB3 ARG 33 2HB ARG 33 7.428 -6.196 -3.091 286 HG2 ARG 33 1HG ARG 33 9.678 -6.777 -2.682 287 HG3 ARG 33 2HG ARG 33 8.693 -8.035 -1.938 288 HD2 ARG 33 1HD ARG 33 10.594 -9.002 -3.094 289 HD3 ARG 33 2HD ARG 33 9.095 -9.484 -3.878 290 HE ARG 33 HE ARG 33 10.234 -7.156 -5.069 291 HH11 ARG 33 1HH1 ARG 33 10.319 -10.650 -5.014 292 HH12 ARG 33 2HH1 ARG 33 11.171 -10.786 -6.524 293 HH21 ARG 33 1HH2 ARG 33 11.327 -7.321 -7.077 294 HH22 ARG 33 2HH2 ARG 33 11.743 -8.890 -7.703 295 H LEU 34 H LEU 34 5.060 -7.055 -2.002 296 HA LEU 34 HA LEU 34 5.871 -8.851 0.139 297 HB2 LEU 34 1HB LEU 34 4.205 -6.355 0.080 298 HB3 LEU 34 2HB LEU 34 4.385 -7.335 1.517 299 HG LEU 34 HG LEU 34 6.563 -5.848 0.060 300 HD11 LEU 34 1HD1 LEU 34 6.722 -4.591 2.141 301 HD12 LEU 34 2HD1 LEU 34 5.394 -5.534 2.818 302 HD13 LEU 34 3HD1 LEU 34 5.107 -4.466 1.443 303 HD21 LEU 34 3HD2 LEU 34 6.771 -7.636 2.480 304 HD22 LEU 34 1HD2 LEU 34 8.066 -6.643 1.809 305 HD23 LEU 34 2HD2 LEU 34 7.412 -7.987 0.876 306 H GLY 35 H GLY 35 3.135 -8.300 -1.953 307 HA2 GLY 35 1HA GLY 35 1.811 -10.381 -2.264 308 HA3 GLY 35 2HA GLY 35 1.769 -10.493 -0.513 309 H LEU 36 H LEU 36 1.258 -7.550 -2.425 310 HA LEU 36 HA LEU 36 -1.410 -7.359 -1.270 311 HB2 LEU 36 1HB LEU 36 0.020 -5.410 -3.076 312 HB3 LEU 36 2HB LEU 36 -1.515 -5.143 -2.275 313 HG LEU 36 HG LEU 36 1.167 -5.427 -0.929 314 HD11 LEU 36 1HD1 LEU 36 0.848 -3.122 -0.300 315 HD12 LEU 36 2HD1 LEU 36 -0.731 -3.091 -1.082 316 HD13 LEU 36 3HD1 LEU 36 0.731 -3.267 -2.052 317 HD21 LEU 36 3HD2 LEU 36 -0.020 -4.999 1.144 318 HD22 LEU 36 1HD2 LEU 36 -0.627 -6.468 0.378 319 HD23 LEU 36 2HD2 LEU 36 -1.555 -4.971 0.277 320 H ASN 37 H ASN 37 -3.210 -7.761 -2.338 321 HA ASN 37 HA ASN 37 -3.073 -8.605 -5.115 322 HB2 ASN 37 1HB ASN 37 -4.859 -9.887 -4.612 323 HB3 ASN 37 2HB ASN 37 -4.557 -9.451 -2.935 324 HD21 ASN 37 1HD2 ASN 37 -5.662 -7.419 -2.184 325 HD22 ASN 37 2HD2 ASN 37 -7.292 -7.204 -2.736 326 H GLU 38 H GLU 38 -4.490 -7.657 -6.730 327 HA GLU 38 HA GLU 38 -4.104 -4.925 -6.926 328 HB2 GLU 38 1HB GLU 38 -6.034 -6.717 -8.391 329 HB3 GLU 38 2HB GLU 38 -5.740 -5.040 -8.838 330 HG2 GLU 38 1HG GLU 38 -3.391 -5.531 -9.215 331 HG3 GLU 38 2HG GLU 38 -3.647 -7.205 -8.727 332 H GLU 39 H GLU 39 -6.924 -6.615 -5.655 333 HA GLU 39 HA GLU 39 -8.701 -4.446 -5.471 334 HB2 GLU 39 1HB GLU 39 -9.505 -6.665 -5.088 335 HB3 GLU 39 2HB GLU 39 -8.336 -6.925 -3.801 336 HG2 GLU 39 1HG GLU 39 -9.514 -5.147 -2.493 337 HG3 GLU 39 2HG GLU 39 -10.759 -5.148 -3.742 338 H ALA 40 H ALA 40 -6.334 -5.708 -3.161 339 HA ALA 40 HA ALA 40 -6.835 -3.797 -1.125 340 HB1 ALA 40 3HB ALA 40 -4.785 -4.644 -0.098 341 HB2 ALA 40 1HB ALA 40 -4.375 -5.489 -1.592 342 HB3 ALA 40 2HB ALA 40 -5.798 -5.972 -0.666 343 H ILE 41 H ILE 41 -4.965 -3.816 -4.011 344 HA ILE 41 HA ILE 41 -3.141 -1.784 -3.369 345 HB ILE 41 HB ILE 41 -4.259 -2.336 -6.122 346 HG12 ILE 41 1HG1 ILE 41 -3.315 -4.356 -4.858 347 HG13 ILE 41 2HG1 ILE 41 -2.655 -4.017 -6.459 348 HG21 ILE 41 1HG2 ILE 41 -1.588 -1.197 -5.292 349 HG22 ILE 41 2HG2 ILE 41 -2.955 -0.259 -5.901 350 HG23 ILE 41 3HG2 ILE 41 -2.160 -1.436 -6.945 351 HD11 ILE 41 3HD1 ILE 41 -0.930 -4.616 -4.891 352 HD12 ILE 41 1HD1 ILE 41 -1.408 -3.281 -3.843 353 HD13 ILE 41 2HD1 ILE 41 -0.746 -2.950 -5.441 354 H ARG 42 H ARG 42 -6.333 -1.794 -4.871 355 HA ARG 42 HA ARG 42 -6.457 1.014 -5.309 356 HB2 ARG 42 1HB ARG 42 -8.650 -1.060 -5.211 357 HB3 ARG 42 2HB ARG 42 -8.880 0.608 -5.709 358 HG2 ARG 42 1HG ARG 42 -7.386 0.302 -7.567 359 HG3 ARG 42 2HG ARG 42 -7.060 -1.357 -7.071 360 HD2 ARG 42 1HD ARG 42 -9.532 -1.780 -7.299 361 HD3 ARG 42 2HD ARG 42 -9.652 -0.193 -8.055 362 HE ARG 42 HE ARG 42 -7.675 -1.534 -9.438 363 HH11 ARG 42 1HH1 ARG 42 -11.092 -1.925 -8.810 364 HH12 ARG 42 2HH1 ARG 42 -11.388 -2.861 -10.243 365 HH21 ARG 42 1HH2 ARG 42 -8.042 -2.778 -11.313 366 HH22 ARG 42 2HH2 ARG 42 -9.651 -3.335 -11.681 367 H GLN 43 H GLN 43 -7.322 -1.083 -2.651 368 HA GLN 43 HA GLN 43 -8.938 0.655 -1.182 369 HB2 GLN 43 1HB GLN 43 -8.715 -1.645 -0.501 370 HB3 GLN 43 2HB GLN 43 -6.987 -1.449 -0.230 371 HG2 GLN 43 1HG GLN 43 -7.424 0.063 1.616 372 HG3 GLN 43 2HG GLN 43 -9.157 -0.051 1.324 373 HE21 GLN 43 1HE2 GLN 43 -9.532 -0.790 3.393 374 HE22 GLN 43 2HE2 GLN 43 -9.132 -2.401 3.895 375 H PHE 44 H PHE 44 -5.428 0.429 -1.401 376 HA PHE 44 HA PHE 44 -5.093 2.483 0.621 377 HB2 PHE 44 1HB PHE 44 -3.561 0.320 -0.219 378 HB3 PHE 44 2HB PHE 44 -2.683 1.723 -0.818 379 HD1 PHE 44 HD1 PHE 44 -1.745 3.355 0.727 380 HD2 PHE 44 HD2 PHE 44 -3.794 -0.102 2.133 381 HE1 PHE 44 HE1 PHE 44 -0.811 3.720 2.975 382 HE2 PHE 44 HE2 PHE 44 -2.867 0.257 4.382 383 HZ PHE 44 HZ PHE 44 -1.372 2.169 4.808 384 H PHE 45 H PHE 45 -4.834 2.135 -2.876 385 HA PHE 45 HA PHE 45 -3.612 4.768 -3.116 386 HB2 PHE 45 1HB PHE 45 -4.125 2.564 -5.100 387 HB3 PHE 45 2HB PHE 45 -3.552 4.156 -5.588 388 HD1 PHE 45 HD1 PHE 45 -2.722 1.378 -3.245 389 HD2 PHE 45 HD2 PHE 45 -1.295 4.556 -5.680 390 HE1 PHE 45 HE1 PHE 45 -0.410 0.690 -2.776 391 HE2 PHE 45 HE2 PHE 45 1.017 3.871 -5.220 392 HZ PHE 45 HZ PHE 45 1.466 1.939 -3.764 393 H GLU 46 H GLU 46 -6.402 3.142 -4.637 394 HA GLU 46 HA GLU 46 -7.329 5.482 -5.896 395 HB2 GLU 46 1HB GLU 46 -7.967 3.233 -6.639 396 HB3 GLU 46 2HB GLU 46 -8.882 2.996 -5.156 397 HG2 GLU 46 1HG GLU 46 -10.373 4.810 -5.763 398 HG3 GLU 46 2HG GLU 46 -9.435 5.097 -7.226 399 H GLU 47 H GLU 47 -8.287 3.906 -2.881 400 HA GLU 47 HA GLU 47 -10.337 5.818 -2.296 401 HB2 GLU 47 1HB GLU 47 -10.301 3.428 -1.529 402 HB3 GLU 47 2HB GLU 47 -9.014 3.863 -0.416 403 HG2 GLU 47 1HG GLU 47 -10.514 5.445 0.693 404 HG3 GLU 47 2HG GLU 47 -11.805 4.987 -0.417 405 H PHE 48 H PHE 48 -7.112 6.199 -2.333 406 HA PHE 48 HA PHE 48 -6.806 7.653 0.167 407 HB2 PHE 48 1HB PHE 48 -5.027 6.177 -0.962 408 HB3 PHE 48 2HB PHE 48 -4.819 7.510 -2.085 409 HD1 PHE 48 HD1 PHE 48 -4.007 9.716 -1.237 410 HD2 PHE 48 HD2 PHE 48 -4.078 6.215 1.183 411 HE1 PHE 48 HE1 PHE 48 -2.405 10.758 0.313 412 HE2 PHE 48 HE2 PHE 48 -2.476 7.252 2.735 413 HZ PHE 48 HZ PHE 48 -1.635 9.525 2.299 414 H GLU 49 H GLU 49 -6.149 8.434 -3.260 415 HA GLU 49 HA GLU 49 -7.216 11.124 -2.806 416 HB2 GLU 49 1HB GLU 49 -5.239 12.101 -3.952 417 HB3 GLU 49 2HB GLU 49 -4.865 11.375 -2.394 418 HG2 GLU 49 1HG GLU 49 -3.883 9.474 -3.429 419 HG3 GLU 49 2HG GLU 49 -4.460 9.967 -5.022 420 H GLN 50 H GLN 50 -7.354 8.436 -4.635 421 HA GLN 50 HA GLN 50 -7.703 9.881 -7.161 422 HB2 GLN 50 1HB GLN 50 -7.620 6.904 -6.615 423 HB3 GLN 50 2HB GLN 50 -7.842 7.631 -8.202 424 HG2 GLN 50 1HG GLN 50 -5.418 7.821 -6.433 425 HG3 GLN 50 2HG GLN 50 -5.557 6.975 -7.973 426 HE21 GLN 50 1HE2 GLN 50 -7.093 9.117 -9.222 427 HE22 GLN 50 2HE2 GLN 50 -5.982 10.409 -9.516 428 H ARG 51 H ARG 51 -9.442 9.998 -4.835 429 HA ARG 51 HA ARG 51 -11.863 8.607 -5.320 430 HB2 ARG 51 1HB ARG 51 -11.288 11.138 -3.775 431 HB3 ARG 51 2HB ARG 51 -12.803 10.251 -3.708 432 HG2 ARG 51 1HG ARG 51 -11.817 8.449 -2.588 433 HG3 ARG 51 2HG ARG 51 -10.189 8.965 -3.023 434 HD2 ARG 51 1HD ARG 51 -10.261 10.789 -1.529 435 HD3 ARG 51 2HD ARG 51 -11.997 10.604 -1.272 436 HE ARG 51 HE ARG 51 -10.603 8.265 -0.474 437 HH11 ARG 51 1HH1 ARG 51 -11.158 11.577 0.513 438 HH12 ARG 51 2HH1 ARG 51 -11.011 11.226 2.213 439 HH21 ARG 51 1HH2 ARG 51 -10.410 7.801 1.757 440 HH22 ARG 51 2HH2 ARG 51 -10.605 9.077 2.924 441 H LYS 52 H LYS 52 -13.522 9.102 -6.633 442 HA LYS 52 HA LYS 52 -13.329 11.612 -8.156 443 HB2 LYS 52 1HB LYS 52 -14.567 8.972 -8.952 444 HB3 LYS 52 2HB LYS 52 -14.626 10.436 -9.919 445 HG2 LYS 52 1HG LYS 52 -12.181 10.405 -10.097 446 HG3 LYS 52 2HG LYS 52 -12.143 8.918 -9.150 447 HD2 LYS 52 1HD LYS 52 -11.968 8.322 -11.457 448 HD3 LYS 52 2HD LYS 52 -13.576 7.859 -10.903 449 HE2 LYS 52 1HE LYS 52 -13.048 10.473 -12.285 450 HE3 LYS 52 2HE LYS 52 -13.390 8.996 -13.182 451 HZ1 LYS 52 3HZ LYS 52 -15.515 8.833 -12.104 452 HZ2 LYS 52 1HZ LYS 52 -15.373 10.371 -12.802 453 HZ3 LYS 52 2HZ LYS 52 -15.188 10.179 -11.131 Start of MODEL 16 1 H1 MET 1 1H MET 1 -10.575 -12.667 6.043 2 H2 MET 1 2H MET 1 -9.747 -12.242 7.462 3 H3 MET 1 3H MET 1 -10.450 -13.775 7.322 4 HA MET 1 HA MET 1 -8.065 -13.886 7.053 5 HB2 MET 1 1HB MET 1 -8.030 -15.089 4.877 6 HB3 MET 1 2HB MET 1 -9.437 -15.529 5.840 7 HG2 MET 1 1HG MET 1 -10.869 -14.190 4.494 8 HG3 MET 1 2HG MET 1 -9.500 -13.477 3.644 9 HE1 MET 1 3HE MET 1 -7.598 -15.829 2.996 10 HE2 MET 1 1HE MET 1 -8.116 -14.649 1.792 11 HE3 MET 1 2HE MET 1 -8.207 -16.374 1.434 12 H LYS 2 H LYS 2 -9.653 -11.521 5.038 13 HA LYS 2 HA LYS 2 -8.905 -9.824 3.710 14 HB2 LYS 2 1HB LYS 2 -6.370 -10.351 5.237 15 HB3 LYS 2 2HB LYS 2 -6.380 -9.233 3.881 16 HG2 LYS 2 1HG LYS 2 -6.714 -7.831 5.669 17 HG3 LYS 2 2HG LYS 2 -8.362 -8.125 5.125 18 HD2 LYS 2 1HD LYS 2 -8.379 -8.305 7.486 19 HD3 LYS 2 2HD LYS 2 -8.486 -9.949 6.856 20 HE2 LYS 2 1HE LYS 2 -6.145 -10.316 7.278 21 HE3 LYS 2 2HE LYS 2 -5.926 -8.630 7.745 22 HZ1 LYS 2 3HZ LYS 2 -6.071 -10.021 9.693 23 HZ2 LYS 2 1HZ LYS 2 -7.564 -10.649 9.180 24 HZ3 LYS 2 2HZ LYS 2 -7.436 -9.015 9.615 25 H GLN 3 H GLN 3 -7.122 -9.365 1.972 26 HA GLN 3 HA GLN 3 -6.656 -11.883 0.503 27 HB2 GLN 3 1HB GLN 3 -7.586 -9.250 -0.670 28 HB3 GLN 3 2HB GLN 3 -7.182 -10.689 -1.594 29 HG2 GLN 3 1HG GLN 3 -9.449 -10.388 0.361 30 HG3 GLN 3 2HG GLN 3 -9.573 -10.464 -1.395 31 HE21 GLN 3 1HE2 GLN 3 -10.786 -12.155 0.628 32 HE22 GLN 3 2HE2 GLN 3 -10.268 -13.771 0.275 33 H TRP 4 H TRP 4 -5.077 -9.867 2.171 34 HA TRP 4 HA TRP 4 -2.757 -9.775 0.491 35 HB2 TRP 4 1HB TRP 4 -2.349 -7.377 1.229 36 HB3 TRP 4 2HB TRP 4 -3.647 -7.556 0.056 37 HD1 TRP 4 HD1 TRP 4 -2.964 -6.294 3.532 38 HE1 TRP 4 HE1 TRP 4 -5.094 -5.311 4.567 39 HE3 TRP 4 HE3 TRP 4 -6.298 -7.852 0.041 40 HZ2 TRP 4 HZ2 TRP 4 -7.841 -5.195 3.960 41 HZ3 TRP 4 HZ3 TRP 4 -8.674 -7.261 0.324 42 HH2 TRP 4 HH2 TRP 4 -9.428 -5.958 2.247 43 H SER 5 H SER 5 -0.902 -9.848 1.889 44 HA SER 5 HA SER 5 -1.188 -11.212 4.240 45 HB2 SER 5 1HB SER 5 1.007 -9.230 3.588 46 HB3 SER 5 2HB SER 5 1.114 -10.551 4.753 47 HG SER 5 HG SER 5 2.024 -10.985 2.618 48 H GLU 6 H GLU 6 -2.389 -10.641 5.926 49 HA GLU 6 HA GLU 6 -3.338 -8.351 6.884 50 HB2 GLU 6 1HB GLU 6 -3.681 -10.476 8.006 51 HB3 GLU 6 2HB GLU 6 -2.008 -10.498 8.542 52 HG2 GLU 6 1HG GLU 6 -2.404 -8.585 9.965 53 HG3 GLU 6 2HG GLU 6 -4.062 -8.462 9.378 54 H ASN 7 H ASN 7 0.040 -9.325 7.258 55 HA ASN 7 HA ASN 7 0.804 -7.149 8.924 56 HB2 ASN 7 1HB ASN 7 2.357 -9.089 7.226 57 HB3 ASN 7 2HB ASN 7 3.145 -7.775 8.086 58 HD21 ASN 7 1HD2 ASN 7 4.311 -9.293 9.297 59 HD22 ASN 7 2HD2 ASN 7 3.579 -10.170 10.597 60 H VAL 8 H VAL 8 0.132 -7.339 5.546 61 HA VAL 8 HA VAL 8 2.051 -5.447 4.618 62 HB VAL 8 HB VAL 8 -0.515 -6.534 3.525 63 HG11 VAL 8 1HG1 VAL 8 -0.436 -4.110 2.966 64 HG12 VAL 8 2HG1 VAL 8 -0.379 -5.179 1.567 65 HG13 VAL 8 3HG1 VAL 8 1.098 -4.401 2.143 66 HG21 VAL 8 3HG2 VAL 8 2.338 -6.542 2.558 67 HG22 VAL 8 1HG2 VAL 8 0.978 -7.289 1.722 68 HG23 VAL 8 2HG2 VAL 8 1.474 -7.888 3.304 69 H GLU 9 H GLU 9 -1.228 -5.210 5.810 70 HA GLU 9 HA GLU 9 -1.868 -2.602 5.168 71 HB2 GLU 9 1HB GLU 9 -3.395 -4.275 6.148 72 HB3 GLU 9 2HB GLU 9 -2.569 -4.103 7.694 73 HG2 GLU 9 1HG GLU 9 -3.216 -1.681 7.665 74 HG3 GLU 9 2HG GLU 9 -4.210 -2.035 6.253 75 H GLU 10 H GLU 10 -0.155 -3.804 8.027 76 HA GLU 10 HA GLU 10 0.261 -1.302 9.263 77 HB2 GLU 10 1HB GLU 10 0.557 -3.178 10.655 78 HB3 GLU 10 2HB GLU 10 1.593 -3.992 9.489 79 HG2 GLU 10 1HG GLU 10 3.352 -2.354 9.901 80 HG3 GLU 10 2HG GLU 10 2.320 -1.540 11.081 81 H LYS 11 H LYS 11 2.492 -3.339 7.401 82 HA LYS 11 HA LYS 11 4.645 -1.550 7.676 83 HB2 LYS 11 1HB LYS 11 4.797 -3.999 7.334 84 HB3 LYS 11 2HB LYS 11 4.306 -3.763 5.661 85 HG2 LYS 11 1HG LYS 11 6.298 -2.478 5.216 86 HG3 LYS 11 2HG LYS 11 6.773 -2.579 6.915 87 HD2 LYS 11 1HD LYS 11 6.487 -4.894 4.999 88 HD3 LYS 11 2HD LYS 11 8.004 -4.205 5.577 89 HE2 LYS 11 1HE LYS 11 5.906 -5.604 7.233 90 HE3 LYS 11 2HE LYS 11 7.503 -6.222 6.817 91 HZ1 LYS 11 3HZ LYS 11 7.632 -5.395 9.012 92 HZ2 LYS 11 1HZ LYS 11 6.850 -3.945 8.605 93 HZ3 LYS 11 2HZ LYS 11 8.419 -4.254 8.038 94 H LEU 12 H LEU 12 2.225 -1.946 5.149 95 HA LEU 12 HA LEU 12 3.536 -0.356 3.205 96 HB2 LEU 12 1HB LEU 12 1.639 -1.895 2.740 97 HB3 LEU 12 2HB LEU 12 0.570 -0.774 3.561 98 HG LEU 12 HG LEU 12 1.092 0.947 1.869 99 HD11 LEU 12 1HD1 LEU 12 3.337 0.162 1.269 100 HD12 LEU 12 2HD1 LEU 12 2.307 0.344 -0.151 101 HD13 LEU 12 3HD1 LEU 12 2.630 -1.262 0.504 102 HD21 LEU 12 3HD2 LEU 12 0.096 -1.695 0.816 103 HD22 LEU 12 1HD2 LEU 12 -0.088 -0.150 -0.014 104 HD23 LEU 12 2HD2 LEU 12 -0.867 -0.410 1.547 105 H LYS 13 H LYS 13 1.181 0.391 5.752 106 HA LYS 13 HA LYS 13 0.889 3.131 5.195 107 HB2 LYS 13 1HB LYS 13 -0.503 1.811 6.815 108 HB3 LYS 13 2HB LYS 13 0.858 1.841 7.928 109 HG2 LYS 13 1HG LYS 13 0.700 4.432 7.574 110 HG3 LYS 13 2HG LYS 13 -0.948 4.049 7.082 111 HD2 LYS 13 1HD LYS 13 -0.931 4.569 9.436 112 HD3 LYS 13 2HD LYS 13 -1.279 2.853 9.221 113 HE2 LYS 13 1HE LYS 13 1.084 2.334 9.705 114 HE3 LYS 13 2HE LYS 13 1.394 4.052 9.971 115 HZ1 LYS 13 3HZ LYS 13 1.056 2.958 12.064 116 HZ2 LYS 13 1HZ LYS 13 -0.430 2.323 11.550 117 HZ3 LYS 13 2HZ LYS 13 -0.251 3.997 11.772 118 H GLU 14 H GLU 14 3.140 1.386 7.267 119 HA GLU 14 HA GLU 14 4.592 3.506 8.326 120 HB2 GLU 14 1HB GLU 14 5.552 0.754 7.517 121 HB3 GLU 14 2HB GLU 14 6.429 1.858 8.566 122 HG2 GLU 14 1HG GLU 14 3.651 1.010 9.251 123 HG3 GLU 14 2HG GLU 14 5.025 -0.043 9.601 124 H PHE 15 H PHE 15 5.164 1.679 5.336 125 HA PHE 15 HA PHE 15 7.582 3.064 4.751 126 HB2 PHE 15 1HB PHE 15 7.054 0.691 4.175 127 HB3 PHE 15 2HB PHE 15 5.926 1.286 2.968 128 HD1 PHE 15 HD1 PHE 15 9.420 2.183 3.930 129 HD2 PHE 15 HD2 PHE 15 6.747 0.969 0.851 130 HE1 PHE 15 HE1 PHE 15 11.262 2.271 2.301 131 HE2 PHE 15 HE2 PHE 15 8.583 1.046 -0.777 132 HZ PHE 15 HZ PHE 15 10.846 1.702 -0.057 133 H VAL 16 H VAL 16 4.275 3.719 4.108 134 HA VAL 16 HA VAL 16 4.950 5.555 1.931 135 HB VAL 16 HB VAL 16 2.261 4.759 3.061 136 HG11 VAL 16 1HG1 VAL 16 2.887 6.560 0.723 137 HG12 VAL 16 2HG1 VAL 16 2.207 7.070 2.268 138 HG13 VAL 16 3HG1 VAL 16 1.281 6.010 1.205 139 HG21 VAL 16 3HG2 VAL 16 3.587 4.137 0.423 140 HG22 VAL 16 1HG2 VAL 16 1.953 3.666 0.891 141 HG23 VAL 16 2HG2 VAL 16 3.342 3.008 1.756 142 H LYS 17 H LYS 17 3.329 5.639 5.103 143 HA LYS 17 HA LYS 17 3.074 8.506 5.003 144 HB2 LYS 17 1HB LYS 17 2.453 6.494 7.159 145 HB3 LYS 17 2HB LYS 17 2.145 8.218 7.308 146 HG2 LYS 17 1HG LYS 17 0.967 6.491 5.148 147 HG3 LYS 17 2HG LYS 17 0.161 6.846 6.676 148 HD2 LYS 17 1HD LYS 17 1.041 8.866 4.610 149 HD3 LYS 17 2HD LYS 17 -0.617 8.342 4.918 150 HE2 LYS 17 1HE LYS 17 -0.510 9.269 7.167 151 HE3 LYS 17 2HE LYS 17 1.168 9.746 6.906 152 HZ1 LYS 17 3HZ LYS 17 -0.335 11.606 6.607 153 HZ2 LYS 17 1HZ LYS 17 -1.184 10.767 5.400 154 HZ3 LYS 17 2HZ LYS 17 0.431 11.227 5.141 155 H ARG 18 H ARG 18 5.070 6.199 6.778 156 HA ARG 18 HA ARG 18 6.194 8.374 8.363 157 HB2 ARG 18 1HB ARG 18 6.654 5.395 8.564 158 HB3 ARG 18 2HB ARG 18 7.207 6.609 9.711 159 HG2 ARG 18 1HG ARG 18 4.876 7.190 10.200 160 HG3 ARG 18 2HG ARG 18 4.345 5.932 9.082 161 HD2 ARG 18 1HD ARG 18 4.241 5.067 11.314 162 HD3 ARG 18 2HD ARG 18 5.561 4.270 10.459 163 HE ARG 18 HE ARG 18 6.696 6.419 11.761 164 HH11 ARG 18 1HH1 ARG 18 4.994 3.484 12.610 165 HH12 ARG 18 2HH1 ARG 18 5.692 3.392 14.203 166 HH21 ARG 18 1HH2 ARG 18 7.619 6.319 13.838 167 HH22 ARG 18 2HH2 ARG 18 7.198 5.006 14.901 168 H HIS 19 H HIS 19 6.799 7.078 5.450 169 HA HIS 19 HA HIS 19 9.690 7.515 5.701 170 HB2 HIS 19 1HB HIS 19 8.090 5.757 3.872 171 HB3 HIS 19 2HB HIS 19 9.686 6.314 3.381 172 HD1 HIS 19 HD1 HIS 19 11.463 4.665 3.934 173 HD2 HIS 19 HD2 HIS 19 8.310 4.517 6.634 174 HE1 HIS 19 HE1 HIS 19 12.012 2.811 5.563 175 H GLN 20 H GLN 20 10.134 7.802 2.911 176 HA GLN 20 HA GLN 20 9.404 10.604 2.678 177 HB2 GLN 20 1HB GLN 20 11.161 8.939 0.859 178 HB3 GLN 20 2HB GLN 20 11.041 10.690 0.883 179 HG2 GLN 20 1HG GLN 20 12.989 10.372 2.024 180 HG3 GLN 20 2HG GLN 20 11.836 10.420 3.356 181 HE21 GLN 20 1HE2 GLN 20 13.913 8.410 1.435 182 HE22 GLN 20 2HE2 GLN 20 13.905 7.040 2.487 183 H ARG 21 H ARG 21 7.423 8.452 2.280 184 HA ARG 21 HA ARG 21 5.754 7.781 0.904 185 HB2 ARG 21 1HB ARG 21 6.512 10.224 -0.716 186 HB3 ARG 21 2HB ARG 21 5.037 9.291 -0.915 187 HG2 ARG 21 1HG ARG 21 4.401 9.875 1.403 188 HG3 ARG 21 2HG ARG 21 5.834 10.900 1.500 189 HD2 ARG 21 1HD ARG 21 3.937 12.272 0.969 190 HD3 ARG 21 2HD ARG 21 4.984 12.185 -0.447 191 HE ARG 21 HE ARG 21 2.743 10.315 -0.311 192 HH11 ARG 21 1HH1 ARG 21 4.078 13.264 -1.658 193 HH12 ARG 21 2HH1 ARG 21 2.932 13.329 -2.959 194 HH21 ARG 21 1HH2 ARG 21 1.250 10.405 -2.011 195 HH22 ARG 21 2HH2 ARG 21 1.315 11.714 -3.162 196 H ILE 22 H ILE 22 5.358 7.420 -1.709 197 HA ILE 22 HA ILE 22 7.741 6.727 -3.120 198 HB ILE 22 HB ILE 22 7.690 4.907 -1.459 199 HG12 ILE 22 1HG1 ILE 22 6.989 3.889 -4.218 200 HG13 ILE 22 2HG1 ILE 22 8.560 4.553 -3.777 201 HG21 ILE 22 1HG2 ILE 22 5.311 4.799 -1.043 202 HG22 ILE 22 2HG2 ILE 22 5.913 3.216 -1.535 203 HG23 ILE 22 3HG2 ILE 22 5.023 4.216 -2.684 204 HD11 ILE 22 3HD1 ILE 22 8.860 2.779 -2.147 205 HD12 ILE 22 1HD1 ILE 22 8.573 2.124 -3.760 206 HD13 ILE 22 2HD1 ILE 22 7.276 2.121 -2.564 207 H THR 23 H THR 23 7.337 6.133 -5.263 208 HA THR 23 HA THR 23 4.692 6.821 -6.217 209 HB THR 23 HB THR 23 5.887 6.432 -8.489 210 HG1 THR 23 HG1 THR 23 8.215 6.878 -6.942 211 HG21 THR 23 3HG2 THR 23 6.758 8.645 -6.624 212 HG22 THR 23 1HG2 THR 23 5.305 8.641 -7.622 213 HG23 THR 23 2HG2 THR 23 6.897 8.672 -8.381 214 H GLN 24 H GLN 24 3.729 5.513 -7.987 215 HA GLN 24 HA GLN 24 2.994 3.039 -6.942 216 HB2 GLN 24 1HB GLN 24 1.536 4.381 -8.357 217 HB3 GLN 24 2HB GLN 24 2.599 4.113 -9.731 218 HG2 GLN 24 1HG GLN 24 2.112 1.732 -9.656 219 HG3 GLN 24 2HG GLN 24 1.068 1.986 -8.260 220 HE21 GLN 24 1HE2 GLN 24 -0.679 1.104 -9.392 221 HE22 GLN 24 2HE2 GLN 24 -1.515 2.002 -10.615 222 H GLU 25 H GLU 25 5.333 3.801 -9.498 223 HA GLU 25 HA GLU 25 5.641 1.231 -10.559 224 HB2 GLU 25 1HB GLU 25 6.658 3.522 -11.294 225 HB3 GLU 25 2HB GLU 25 7.982 3.085 -10.225 226 HG2 GLU 25 1HG GLU 25 7.034 1.351 -12.494 227 HG3 GLU 25 2HG GLU 25 8.315 2.547 -12.648 228 H GLU 26 H GLU 26 7.601 2.806 -8.041 229 HA GLU 26 HA GLU 26 9.073 0.484 -7.389 230 HB2 GLU 26 1HB GLU 26 8.599 3.090 -5.956 231 HB3 GLU 26 2HB GLU 26 9.584 1.812 -5.257 232 HG2 GLU 26 1HG GLU 26 10.106 3.061 -7.944 233 HG3 GLU 26 2HG GLU 26 10.866 3.588 -6.442 234 H LEU 27 H LEU 27 6.042 1.798 -6.273 235 HA LEU 27 HA LEU 27 5.849 0.229 -3.920 236 HB2 LEU 27 1HB LEU 27 4.605 2.342 -4.300 237 HB3 LEU 27 2HB LEU 27 3.641 1.531 -5.517 238 HG LEU 27 HG LEU 27 3.664 0.367 -2.770 239 HD11 LEU 27 1HD1 LEU 27 1.886 1.896 -2.066 240 HD12 LEU 27 2HD1 LEU 27 2.119 2.841 -3.536 241 HD13 LEU 27 3HD1 LEU 27 3.406 2.747 -2.335 242 HD21 LEU 27 3HD2 LEU 27 1.545 0.731 -4.896 243 HD22 LEU 27 1HD2 LEU 27 1.308 -0.089 -3.352 244 HD23 LEU 27 2HD2 LEU 27 2.427 -0.755 -4.542 245 H HIS 28 H HIS 28 4.948 -0.315 -7.280 246 HA HIS 28 HA HIS 28 3.310 -2.577 -6.728 247 HB2 HIS 28 1HB HIS 28 4.138 -1.138 -9.073 248 HB3 HIS 28 2HB HIS 28 4.319 -2.871 -9.339 249 HD1 HIS 28 HD1 HIS 28 2.061 -4.326 -8.809 250 HD2 HIS 28 HD2 HIS 28 1.611 -0.224 -9.306 251 HE1 HIS 28 HE1 HIS 28 -0.416 -3.912 -9.079 252 H GLN 29 H GLN 29 6.744 -2.169 -7.398 253 HA GLN 29 HA GLN 29 7.322 -4.954 -7.529 254 HB2 GLN 29 1HB GLN 29 8.846 -3.067 -8.275 255 HB3 GLN 29 2HB GLN 29 9.186 -2.766 -6.579 256 HG2 GLN 29 1HG GLN 29 9.653 -5.453 -7.822 257 HG3 GLN 29 2HG GLN 29 10.846 -4.164 -7.927 258 HE21 GLN 29 1HE2 GLN 29 10.985 -6.772 -6.626 259 HE22 GLN 29 2HE2 GLN 29 11.373 -6.458 -4.972 260 H TYR 30 H TYR 30 7.153 -2.577 -4.949 261 HA TYR 30 HA TYR 30 8.007 -4.302 -2.862 262 HB2 TYR 30 1HB TYR 30 7.895 -1.732 -2.891 263 HB3 TYR 30 2HB TYR 30 6.187 -1.921 -2.521 264 HD1 TYR 30 HD1 TYR 30 9.383 -3.420 -1.278 265 HD2 TYR 30 HD2 TYR 30 5.685 -1.553 -0.310 266 HE1 TYR 30 HE1 TYR 30 9.946 -3.557 1.110 267 HE2 TYR 30 HE2 TYR 30 6.237 -1.686 2.082 268 HH TYR 30 HH TYR 30 9.358 -2.456 3.206 269 H ALA 31 H ALA 31 4.952 -3.669 -4.431 270 HA ALA 31 HA ALA 31 3.209 -4.859 -2.600 271 HB1 ALA 31 3HB ALA 31 2.435 -3.540 -4.513 272 HB2 ALA 31 1HB ALA 31 1.671 -5.129 -4.488 273 HB3 ALA 31 2HB ALA 31 2.991 -4.802 -5.610 274 H GLN 32 H GLN 32 4.734 -6.291 -5.473 275 HA GLN 32 HA GLN 32 3.799 -8.907 -5.057 276 HB2 GLN 32 1HB GLN 32 5.177 -9.496 -6.841 277 HB3 GLN 32 2HB GLN 32 4.932 -7.777 -7.088 278 HG2 GLN 32 1HG GLN 32 7.096 -7.329 -6.018 279 HG3 GLN 32 2HG GLN 32 7.368 -9.067 -5.916 280 HE21 GLN 32 1HE2 GLN 32 9.166 -9.024 -7.221 281 HE22 GLN 32 2HE2 GLN 32 9.076 -8.734 -8.932 282 H ARG 33 H ARG 33 6.607 -7.210 -3.959 283 HA ARG 33 HA ARG 33 8.065 -9.300 -2.814 284 HB2 ARG 33 1HB ARG 33 8.949 -7.030 -3.142 285 HB3 ARG 33 2HB ARG 33 7.872 -6.428 -1.889 286 HG2 ARG 33 1HG ARG 33 9.018 -7.828 -0.241 287 HG3 ARG 33 2HG ARG 33 10.105 -8.411 -1.502 288 HD2 ARG 33 1HD ARG 33 10.920 -6.139 -1.859 289 HD3 ARG 33 2HD ARG 33 9.814 -5.540 -0.624 290 HE ARG 33 HE ARG 33 11.497 -7.587 0.403 291 HH11 ARG 33 1HH1 ARG 33 11.449 -4.186 -0.430 292 HH12 ARG 33 2HH1 ARG 33 12.720 -3.764 0.671 293 HH21 ARG 33 1HH2 ARG 33 13.182 -7.039 1.841 294 HH22 ARG 33 2HH2 ARG 33 13.709 -5.382 1.957 295 H LEU 34 H LEU 34 5.608 -7.196 -1.291 296 HA LEU 34 HA LEU 34 5.849 -8.554 1.233 297 HB2 LEU 34 1HB LEU 34 3.867 -6.512 0.246 298 HB3 LEU 34 2HB LEU 34 3.934 -7.115 1.885 299 HG LEU 34 HG LEU 34 5.994 -5.442 0.473 300 HD11 LEU 34 1HD1 LEU 34 5.506 -3.891 2.344 301 HD12 LEU 34 2HD1 LEU 34 4.204 -4.969 2.847 302 HD13 LEU 34 3HD1 LEU 34 4.133 -4.171 1.276 303 HD21 LEU 34 3HD2 LEU 34 7.295 -5.527 2.534 304 HD22 LEU 34 1HD2 LEU 34 7.127 -7.132 1.821 305 HD23 LEU 34 2HD2 LEU 34 6.149 -6.680 3.219 306 H GLY 35 H GLY 35 4.026 -9.072 -1.607 307 HA2 GLY 35 1HA GLY 35 2.715 -11.040 -1.924 308 HA3 GLY 35 2HA GLY 35 2.395 -11.068 -0.193 309 H LEU 36 H LEU 36 2.191 -8.170 -2.082 310 HA LEU 36 HA LEU 36 -0.552 -7.774 -1.334 311 HB2 LEU 36 1HB LEU 36 1.548 -6.170 -2.673 312 HB3 LEU 36 2HB LEU 36 -0.116 -5.770 -3.054 313 HG LEU 36 HG LEU 36 1.035 -5.847 -0.267 314 HD11 LEU 36 1HD1 LEU 36 0.663 -3.344 -0.443 315 HD12 LEU 36 2HD1 LEU 36 0.549 -3.583 -2.187 316 HD13 LEU 36 3HD1 LEU 36 2.032 -3.998 -1.332 317 HD21 LEU 36 3HD2 LEU 36 -1.616 -4.855 -1.304 318 HD22 LEU 36 1HD2 LEU 36 -1.059 -4.781 0.366 319 HD23 LEU 36 2HD2 LEU 36 -1.363 -6.345 -0.391 320 H ASN 37 H ASN 37 -1.888 -6.721 -3.162 321 HA ASN 37 HA ASN 37 -1.801 -8.021 -5.695 322 HB2 ASN 37 1HB ASN 37 -3.849 -9.270 -5.553 323 HB3 ASN 37 2HB ASN 37 -2.824 -9.795 -4.227 324 HD21 ASN 37 1HD2 ASN 37 -3.416 -7.393 -2.611 325 HD22 ASN 37 2HD2 ASN 37 -5.017 -7.645 -2.010 326 H GLU 38 H GLU 38 -3.810 -7.287 -6.981 327 HA GLU 38 HA GLU 38 -3.626 -4.473 -6.899 328 HB2 GLU 38 1HB GLU 38 -5.552 -6.240 -8.421 329 HB3 GLU 38 2HB GLU 38 -5.298 -4.527 -8.730 330 HG2 GLU 38 1HG GLU 38 -3.014 -4.930 -9.374 331 HG3 GLU 38 2HG GLU 38 -3.155 -6.633 -8.941 332 H GLU 39 H GLU 39 -5.764 -6.646 -5.347 333 HA GLU 39 HA GLU 39 -8.053 -5.167 -4.867 334 HB2 GLU 39 1HB GLU 39 -8.095 -7.371 -4.112 335 HB3 GLU 39 2HB GLU 39 -6.520 -7.244 -3.345 336 HG2 GLU 39 1HG GLU 39 -8.247 -7.473 -1.681 337 HG3 GLU 39 2HG GLU 39 -7.501 -5.878 -1.558 338 H ALA 40 H ALA 40 -5.211 -5.402 -2.764 339 HA ALA 40 HA ALA 40 -6.187 -3.205 -1.157 340 HB1 ALA 40 3HB ALA 40 -3.745 -4.940 -0.907 341 HB2 ALA 40 1HB ALA 40 -5.242 -5.066 0.011 342 HB3 ALA 40 2HB ALA 40 -4.182 -3.675 0.238 343 H ILE 41 H ILE 41 -3.894 -3.712 -3.697 344 HA ILE 41 HA ILE 41 -2.267 -1.457 -3.264 345 HB ILE 41 HB ILE 41 -2.985 -2.795 -5.881 346 HG12 ILE 41 1HG1 ILE 41 -0.564 -3.099 -4.089 347 HG13 ILE 41 2HG1 ILE 41 -1.878 -4.263 -4.233 348 HG21 ILE 41 1HG2 ILE 41 -2.162 -0.531 -6.254 349 HG22 ILE 41 2HG2 ILE 41 -0.971 -1.724 -6.778 350 HG23 ILE 41 3HG2 ILE 41 -0.748 -0.868 -5.252 351 HD11 ILE 41 3HD1 ILE 41 0.046 -4.975 -5.514 352 HD12 ILE 41 1HD1 ILE 41 0.033 -3.460 -6.417 353 HD13 ILE 41 2HD1 ILE 41 -1.301 -4.601 -6.590 354 H ARG 42 H ARG 42 -5.132 -1.900 -5.332 355 HA ARG 42 HA ARG 42 -5.404 0.824 -6.034 356 HB2 ARG 42 1HB ARG 42 -6.508 -0.760 -7.401 357 HB3 ARG 42 2HB ARG 42 -7.312 -1.507 -6.029 358 HG2 ARG 42 1HG ARG 42 -8.655 0.535 -5.748 359 HG3 ARG 42 2HG ARG 42 -7.866 1.212 -7.172 360 HD2 ARG 42 1HD ARG 42 -8.755 -0.541 -8.562 361 HD3 ARG 42 2HD ARG 42 -9.433 -1.359 -7.155 362 HE ARG 42 HE ARG 42 -10.389 1.346 -7.556 363 HH11 ARG 42 1HH1 ARG 42 -10.881 -2.065 -8.217 364 HH12 ARG 42 2HH1 ARG 42 -12.569 -1.884 -8.612 365 HH21 ARG 42 1HH2 ARG 42 -12.620 1.592 -8.076 366 HH22 ARG 42 2HH2 ARG 42 -13.555 0.199 -8.547 367 H GLN 43 H GLN 43 -6.803 -1.142 -3.454 368 HA GLN 43 HA GLN 43 -8.649 0.655 -2.433 369 HB2 GLN 43 1HB GLN 43 -8.394 -1.736 -1.768 370 HB3 GLN 43 2HB GLN 43 -6.982 -1.284 -0.823 371 HG2 GLN 43 1HG GLN 43 -8.456 0.264 0.472 372 HG3 GLN 43 2HG GLN 43 -9.832 -0.435 -0.379 373 HE21 GLN 43 1HE2 GLN 43 -10.359 -2.620 -0.005 374 HE22 GLN 43 2HE2 GLN 43 -9.835 -3.438 1.422 375 H PHE 44 H PHE 44 -5.229 0.257 -1.549 376 HA PHE 44 HA PHE 44 -5.238 2.120 0.563 377 HB2 PHE 44 1HB PHE 44 -3.480 0.270 -0.298 378 HB3 PHE 44 2HB PHE 44 -2.717 1.716 -0.947 379 HD1 PHE 44 HD1 PHE 44 -3.763 -0.018 2.113 380 HD2 PHE 44 HD2 PHE 44 -1.679 3.325 0.497 381 HE1 PHE 44 HE1 PHE 44 -2.763 0.417 4.318 382 HE2 PHE 44 HE2 PHE 44 -0.674 3.766 2.704 383 HZ PHE 44 HZ PHE 44 -1.214 2.307 4.618 384 H PHE 45 H PHE 45 -4.875 2.502 -2.890 385 HA PHE 45 HA PHE 45 -3.874 5.207 -2.668 386 HB2 PHE 45 1HB PHE 45 -4.668 3.485 -5.004 387 HB3 PHE 45 2HB PHE 45 -4.313 5.198 -5.199 388 HD1 PHE 45 HD1 PHE 45 -2.029 5.729 -3.615 389 HD2 PHE 45 HD2 PHE 45 -2.959 2.213 -5.820 390 HE1 PHE 45 HE1 PHE 45 0.371 5.225 -3.817 391 HE2 PHE 45 HE2 PHE 45 -0.564 1.698 -6.017 392 HZ PHE 45 HZ PHE 45 1.106 3.205 -5.018 393 H GLU 46 H GLU 46 -6.935 3.668 -3.662 394 HA GLU 46 HA GLU 46 -8.078 6.243 -4.279 395 HB2 GLU 46 1HB GLU 46 -9.296 3.487 -4.290 396 HB3 GLU 46 2HB GLU 46 -10.107 4.943 -4.850 397 HG2 GLU 46 1HG GLU 46 -8.058 5.188 -6.407 398 HG3 GLU 46 2HG GLU 46 -7.804 3.480 -6.050 399 H GLU 47 H GLU 47 -8.305 3.925 -1.639 400 HA GLU 47 HA GLU 47 -10.246 5.699 -0.336 401 HB2 GLU 47 1HB GLU 47 -9.400 2.872 0.297 402 HB3 GLU 47 2HB GLU 47 -10.430 3.832 1.356 403 HG2 GLU 47 1HG GLU 47 -11.979 4.119 -0.614 404 HG3 GLU 47 2HG GLU 47 -11.016 2.897 -1.439 405 H PHE 48 H PHE 48 -7.400 6.171 -0.771 406 HA PHE 48 HA PHE 48 -6.070 6.226 1.744 407 HB2 PHE 48 1HB PHE 48 -5.138 6.464 -0.673 408 HB3 PHE 48 2HB PHE 48 -5.614 8.148 -0.534 409 HD1 PHE 48 HD1 PHE 48 -3.735 5.623 1.484 410 HD2 PHE 48 HD2 PHE 48 -3.962 9.613 0.016 411 HE1 PHE 48 HE1 PHE 48 -1.555 6.125 2.513 412 HE2 PHE 48 HE2 PHE 48 -1.788 10.122 1.047 413 HZ PHE 48 HZ PHE 48 -0.579 8.374 2.288 414 H GLU 49 H GLU 49 -5.348 8.685 2.391 415 HA GLU 49 HA GLU 49 -7.714 9.960 3.351 416 HB2 GLU 49 1HB GLU 49 -6.165 11.552 4.375 417 HB3 GLU 49 2HB GLU 49 -5.651 9.893 4.652 418 HG2 GLU 49 1HG GLU 49 -4.007 10.111 2.843 419 HG3 GLU 49 2HG GLU 49 -4.506 11.787 2.609 420 H GLN 50 H GLN 50 -6.964 9.865 0.362 421 HA GLN 50 HA GLN 50 -7.066 12.747 -0.207 422 HB2 GLN 50 1HB GLN 50 -6.212 10.429 -1.945 423 HB3 GLN 50 2HB GLN 50 -6.306 12.099 -2.487 424 HG2 GLN 50 1HG GLN 50 -4.549 11.103 -0.256 425 HG3 GLN 50 2HG GLN 50 -4.021 11.401 -1.913 426 HE21 GLN 50 1HE2 GLN 50 -5.066 12.854 1.069 427 HE22 GLN 50 2HE2 GLN 50 -4.561 14.467 0.693 428 H ARG 51 H ARG 51 -9.278 10.726 0.453 429 HA ARG 51 HA ARG 51 -10.862 10.625 -1.942 430 HB2 ARG 51 1HB ARG 51 -11.610 10.111 0.946 431 HB3 ARG 51 2HB ARG 51 -12.679 9.849 -0.422 432 HG2 ARG 51 1HG ARG 51 -11.179 8.165 -1.265 433 HG3 ARG 51 2HG ARG 51 -10.067 8.479 0.075 434 HD2 ARG 51 1HD ARG 51 -12.582 6.991 0.031 435 HD3 ARG 51 2HD ARG 51 -11.193 6.872 1.099 436 HE ARG 51 HE ARG 51 -12.616 9.225 1.687 437 HH11 ARG 51 1HH1 ARG 51 -12.879 5.747 2.021 438 HH12 ARG 51 2HH1 ARG 51 -13.845 5.829 3.460 439 HH21 ARG 51 1HH2 ARG 51 -13.887 9.351 3.539 440 HH22 ARG 51 2HH2 ARG 51 -14.423 7.901 4.333 441 H LYS 52 H LYS 52 -12.690 11.843 -2.430 442 HA LYS 52 HA LYS 52 -13.017 14.339 -0.900 443 HB2 LYS 52 1HB LYS 52 -12.800 14.038 -3.906 444 HB3 LYS 52 2HB LYS 52 -13.257 15.524 -3.084 445 HG2 LYS 52 1HG LYS 52 -11.122 15.853 -2.222 446 HG3 LYS 52 2HG LYS 52 -10.667 14.165 -2.460 447 HD2 LYS 52 1HD LYS 52 -11.348 15.864 -4.821 448 HD3 LYS 52 2HD LYS 52 -9.759 16.010 -4.070 449 HE2 LYS 52 1HE LYS 52 -9.645 14.436 -5.897 450 HE3 LYS 52 2HE LYS 52 -9.425 13.584 -4.372 451 HZ1 LYS 52 3HZ LYS 52 -11.665 12.788 -4.483 452 HZ2 LYS 52 1HZ LYS 52 -10.902 12.426 -5.949 453 HZ3 LYS 52 2HZ LYS 52 -11.996 13.719 -5.855 Start of MODEL 17 1 H1 MET 1 1H MET 1 -12.723 -7.948 5.980 2 H2 MET 1 2H MET 1 -12.490 -9.348 6.908 3 H3 MET 1 3H MET 1 -13.957 -9.109 6.090 4 HA MET 1 HA MET 1 -12.680 -10.703 4.907 5 HB2 MET 1 1HB MET 1 -12.873 -7.977 3.644 6 HB3 MET 1 2HB MET 1 -12.273 -9.361 2.743 7 HG2 MET 1 1HG MET 1 -14.973 -9.165 4.049 8 HG3 MET 1 2HG MET 1 -14.639 -8.940 2.332 9 HE1 MET 1 3HE MET 1 -16.488 -12.359 2.324 10 HE2 MET 1 1HE MET 1 -16.378 -10.764 1.584 11 HE3 MET 1 2HE MET 1 -16.838 -10.918 3.279 12 H LYS 2 H LYS 2 -10.823 -10.787 3.239 13 HA LYS 2 HA LYS 2 -8.388 -9.601 4.396 14 HB2 LYS 2 1HB LYS 2 -8.956 -12.408 3.509 15 HB3 LYS 2 2HB LYS 2 -7.316 -11.780 3.426 16 HG2 LYS 2 1HG LYS 2 -7.106 -11.653 5.706 17 HG3 LYS 2 2HG LYS 2 -8.847 -11.528 5.966 18 HD2 LYS 2 1HD LYS 2 -7.574 -14.026 4.883 19 HD3 LYS 2 2HD LYS 2 -7.718 -13.725 6.618 20 HE2 LYS 2 1HE LYS 2 -10.052 -13.641 4.709 21 HE3 LYS 2 2HE LYS 2 -9.576 -15.089 5.602 22 HZ1 LYS 2 3HZ LYS 2 -11.375 -13.674 6.624 23 HZ2 LYS 2 1HZ LYS 2 -10.178 -12.521 6.952 24 HZ3 LYS 2 2HZ LYS 2 -10.078 -14.066 7.642 25 H GLN 3 H GLN 3 -7.215 -8.477 3.032 26 HA GLN 3 HA GLN 3 -7.633 -8.860 0.129 27 HB2 GLN 3 1HB GLN 3 -7.242 -6.236 1.590 28 HB3 GLN 3 2HB GLN 3 -7.374 -6.425 -0.153 29 HG2 GLN 3 1HG GLN 3 -9.648 -7.126 0.027 30 HG3 GLN 3 2HG GLN 3 -9.538 -7.203 1.784 31 HE21 GLN 3 1HE2 GLN 3 -9.840 -5.133 -0.990 32 HE22 GLN 3 2HE2 GLN 3 -10.251 -3.698 -0.113 33 H TRP 4 H TRP 4 -5.512 -7.157 2.414 34 HA TRP 4 HA TRP 4 -3.199 -8.045 0.859 35 HB2 TRP 4 1HB TRP 4 -2.125 -6.439 2.753 36 HB3 TRP 4 2HB TRP 4 -2.687 -5.857 1.195 37 HD1 TRP 4 HD1 TRP 4 -4.137 -3.790 1.388 38 HE1 TRP 4 HE1 TRP 4 -5.740 -2.784 3.133 39 HE3 TRP 4 HE3 TRP 4 -3.831 -7.434 4.952 40 HZ2 TRP 4 HZ2 TRP 4 -6.743 -3.454 5.678 41 HZ3 TRP 4 HZ3 TRP 4 -5.144 -7.173 7.015 42 HH2 TRP 4 HH2 TRP 4 -6.565 -5.224 7.370 43 H SER 5 H SER 5 -1.225 -8.401 2.397 44 HA SER 5 HA SER 5 -1.939 -10.365 4.386 45 HB2 SER 5 1HB SER 5 0.771 -9.251 3.631 46 HB3 SER 5 2HB SER 5 0.479 -10.656 4.655 47 HG SER 5 HG SER 5 0.753 -11.579 2.741 48 H GLU 6 H GLU 6 -2.332 -9.872 6.439 49 HA GLU 6 HA GLU 6 -2.644 -7.573 7.715 50 HB2 GLU 6 1HB GLU 6 -3.018 -9.705 8.801 51 HB3 GLU 6 2HB GLU 6 -1.291 -10.013 8.880 52 HG2 GLU 6 1HG GLU 6 -2.026 -9.365 11.042 53 HG3 GLU 6 2HG GLU 6 -1.067 -8.044 10.377 54 H ASN 7 H ASN 7 0.559 -9.160 7.756 55 HA ASN 7 HA ASN 7 1.804 -7.085 9.203 56 HB2 ASN 7 1HB ASN 7 3.019 -9.219 7.455 57 HB3 ASN 7 2HB ASN 7 3.937 -8.171 8.530 58 HD21 ASN 7 1HD2 ASN 7 3.626 -8.364 10.780 59 HD22 ASN 7 2HD2 ASN 7 3.032 -9.840 11.473 60 H VAL 8 H VAL 8 1.160 -7.460 5.831 61 HA VAL 8 HA VAL 8 3.224 -5.630 4.995 62 HB VAL 8 HB VAL 8 0.887 -6.659 3.379 63 HG11 VAL 8 1HG1 VAL 8 3.464 -5.282 2.675 64 HG12 VAL 8 2HG1 VAL 8 1.813 -4.754 2.342 65 HG13 VAL 8 3HG1 VAL 8 2.477 -6.148 1.501 66 HG21 VAL 8 3HG2 VAL 8 3.704 -7.742 3.579 67 HG22 VAL 8 1HG2 VAL 8 2.439 -8.325 2.496 68 HG23 VAL 8 2HG2 VAL 8 2.261 -8.509 4.241 69 H GLU 9 H GLU 9 -0.276 -5.541 5.485 70 HA GLU 9 HA GLU 9 -0.909 -3.052 4.487 71 HB2 GLU 9 1HB GLU 9 -2.580 -4.554 5.391 72 HB3 GLU 9 2HB GLU 9 -1.886 -4.420 6.997 73 HG2 GLU 9 1HG GLU 9 -2.885 -1.954 5.660 74 HG3 GLU 9 2HG GLU 9 -4.049 -3.102 6.319 75 H GLU 10 H GLU 10 0.302 -3.872 7.684 76 HA GLU 10 HA GLU 10 0.545 -1.383 8.826 77 HB2 GLU 10 1HB GLU 10 0.929 -3.291 10.163 78 HB3 GLU 10 2HB GLU 10 2.175 -3.897 9.082 79 HG2 GLU 10 1HG GLU 10 3.656 -2.100 9.744 80 HG3 GLU 10 2HG GLU 10 2.403 -1.430 10.787 81 H LYS 11 H LYS 11 3.177 -3.148 7.171 82 HA LYS 11 HA LYS 11 4.949 -0.953 7.391 83 HB2 LYS 11 1HB LYS 11 5.679 -3.314 7.266 84 HB3 LYS 11 2HB LYS 11 5.199 -3.349 5.574 85 HG2 LYS 11 1HG LYS 11 6.854 -1.721 4.999 86 HG3 LYS 11 2HG LYS 11 7.243 -1.444 6.697 87 HD2 LYS 11 1HD LYS 11 7.700 -3.986 5.135 88 HD3 LYS 11 2HD LYS 11 8.937 -2.838 5.655 89 HE2 LYS 11 1HE LYS 11 8.249 -3.298 8.017 90 HE3 LYS 11 2HE LYS 11 7.194 -4.570 7.404 91 HZ1 LYS 11 3HZ LYS 11 9.270 -5.510 6.336 92 HZ2 LYS 11 1HZ LYS 11 9.159 -5.635 8.025 93 HZ3 LYS 11 2HZ LYS 11 10.147 -4.447 7.323 94 H LEU 12 H LEU 12 2.723 -1.960 4.874 95 HA LEU 12 HA LEU 12 3.856 -0.378 2.797 96 HB2 LEU 12 1HB LEU 12 2.124 -2.279 2.625 97 HB3 LEU 12 2HB LEU 12 0.934 -1.047 2.999 98 HG LEU 12 HG LEU 12 2.034 0.228 0.999 99 HD11 LEU 12 1HD1 LEU 12 3.891 -1.250 0.636 100 HD12 LEU 12 2HD1 LEU 12 2.812 -1.332 -0.758 101 HD13 LEU 12 3HD1 LEU 12 2.809 -2.626 0.439 102 HD21 LEU 12 3HD2 LEU 12 -0.260 -0.469 0.996 103 HD22 LEU 12 1HD2 LEU 12 0.205 -2.138 0.680 104 HD23 LEU 12 2HD2 LEU 12 0.471 -0.905 -0.549 105 H LYS 13 H LYS 13 1.152 0.145 5.042 106 HA LYS 13 HA LYS 13 0.483 2.734 4.260 107 HB2 LYS 13 1HB LYS 13 -0.951 1.490 5.744 108 HB3 LYS 13 2HB LYS 13 0.314 1.377 6.954 109 HG2 LYS 13 1HG LYS 13 -0.661 4.069 6.140 110 HG3 LYS 13 2HG LYS 13 -1.656 3.084 7.208 111 HD2 LYS 13 1HD LYS 13 1.199 3.937 7.693 112 HD3 LYS 13 2HD LYS 13 -0.237 4.564 8.506 113 HE2 LYS 13 1HE LYS 13 0.615 1.670 8.605 114 HE3 LYS 13 2HE LYS 13 1.071 2.865 9.820 115 HZ1 LYS 13 3HZ LYS 13 -0.866 1.567 10.481 116 HZ2 LYS 13 1HZ LYS 13 -1.719 2.110 9.122 117 HZ3 LYS 13 2HZ LYS 13 -1.248 3.208 10.331 118 H GLU 14 H GLU 14 2.873 1.590 6.599 119 HA GLU 14 HA GLU 14 3.724 4.189 7.360 120 HB2 GLU 14 1HB GLU 14 5.156 1.542 7.592 121 HB3 GLU 14 2HB GLU 14 5.632 3.031 8.400 122 HG2 GLU 14 1HG GLU 14 3.336 3.028 9.464 123 HG3 GLU 14 2HG GLU 14 3.161 1.385 8.850 124 H PHE 15 H PHE 15 4.673 1.964 4.826 125 HA PHE 15 HA PHE 15 7.080 3.236 4.084 126 HB2 PHE 15 1HB PHE 15 5.528 1.042 3.181 127 HB3 PHE 15 2HB PHE 15 5.782 2.095 1.795 128 HD1 PHE 15 HD1 PHE 15 7.858 1.078 4.710 129 HD2 PHE 15 HD2 PHE 15 7.546 1.290 0.463 130 HE1 PHE 15 HE1 PHE 15 10.120 0.148 4.496 131 HE2 PHE 15 HE2 PHE 15 9.809 0.370 0.251 132 HZ PHE 15 HZ PHE 15 11.102 -0.206 2.265 133 H VAL 16 H VAL 16 3.735 3.925 3.373 134 HA VAL 16 HA VAL 16 4.466 5.857 1.317 135 HB VAL 16 HB VAL 16 1.718 5.202 2.402 136 HG11 VAL 16 1HG1 VAL 16 0.903 6.263 0.359 137 HG12 VAL 16 2HG1 VAL 16 2.557 6.645 -0.111 138 HG13 VAL 16 3HG1 VAL 16 1.854 7.394 1.323 139 HG21 VAL 16 3HG2 VAL 16 2.744 3.238 1.390 140 HG22 VAL 16 1HG2 VAL 16 3.123 4.169 -0.060 141 HG23 VAL 16 2HG2 VAL 16 1.442 3.854 0.372 142 H LYS 17 H LYS 17 3.188 5.795 4.615 143 HA LYS 17 HA LYS 17 2.809 8.682 4.607 144 HB2 LYS 17 1HB LYS 17 2.342 6.691 6.830 145 HB3 LYS 17 2HB LYS 17 1.845 8.376 6.825 146 HG2 LYS 17 1HG LYS 17 0.874 6.275 4.909 147 HG3 LYS 17 2HG LYS 17 -0.003 6.833 6.332 148 HD2 LYS 17 1HD LYS 17 0.805 8.540 3.968 149 HD3 LYS 17 2HD LYS 17 -0.815 7.916 4.277 150 HE2 LYS 17 1HE LYS 17 -0.979 9.232 6.304 151 HE3 LYS 17 2HE LYS 17 0.689 9.771 6.125 152 HZ1 LYS 17 3HZ LYS 17 0.052 10.890 4.064 153 HZ2 LYS 17 1HZ LYS 17 -0.841 11.467 5.386 154 HZ3 LYS 17 2HZ LYS 17 -1.560 10.400 4.284 155 H ARG 18 H ARG 18 4.825 6.314 6.331 156 HA ARG 18 HA ARG 18 6.039 8.516 7.836 157 HB2 ARG 18 1HB ARG 18 6.020 5.534 8.307 158 HB3 ARG 18 2HB ARG 18 6.884 6.687 9.317 159 HG2 ARG 18 1HG ARG 18 4.843 7.733 9.991 160 HG3 ARG 18 2HG ARG 18 3.920 6.784 8.826 161 HD2 ARG 18 1HD ARG 18 4.339 4.768 10.025 162 HD3 ARG 18 2HD ARG 18 5.485 5.577 11.098 163 HE ARG 18 HE ARG 18 3.092 6.926 11.387 164 HH11 ARG 18 1HH1 ARG 18 4.229 3.634 11.901 165 HH12 ARG 18 2HH1 ARG 18 3.103 3.334 13.195 166 HH21 ARG 18 1HH2 ARG 18 1.620 6.502 13.061 167 HH22 ARG 18 2HH2 ARG 18 1.594 4.944 13.822 168 H HIS 19 H HIS 19 6.757 6.181 5.409 169 HA HIS 19 HA HIS 19 9.622 6.299 5.823 170 HB2 HIS 19 1HB HIS 19 8.316 4.226 5.131 171 HB3 HIS 19 2HB HIS 19 8.145 4.972 3.550 172 HD1 HIS 19 HD1 HIS 19 10.802 3.524 5.838 173 HD2 HIS 19 HD2 HIS 19 10.301 4.729 1.886 174 HE1 HIS 19 HE1 HIS 19 12.842 2.714 4.578 175 H GLN 20 H GLN 20 8.362 8.777 5.219 176 HA GLN 20 HA GLN 20 8.721 10.658 4.011 177 HB2 GLN 20 1HB GLN 20 10.997 8.999 2.938 178 HB3 GLN 20 2HB GLN 20 10.798 10.716 2.610 179 HG2 GLN 20 1HG GLN 20 11.057 11.241 4.940 180 HG3 GLN 20 2HG GLN 20 11.072 9.528 5.360 181 HE21 GLN 20 1HE2 GLN 20 12.876 12.149 3.946 182 HE22 GLN 20 2HE2 GLN 20 14.414 11.355 3.963 183 H ARG 21 H ARG 21 7.175 8.271 2.883 184 HA ARG 21 HA ARG 21 5.830 7.849 1.130 185 HB2 ARG 21 1HB ARG 21 5.256 10.199 1.128 186 HB3 ARG 21 2HB ARG 21 6.695 10.586 0.195 187 HG2 ARG 21 1HG ARG 21 5.835 9.338 -1.699 188 HG3 ARG 21 2HG ARG 21 4.410 8.877 -0.768 189 HD2 ARG 21 1HD ARG 21 3.701 11.175 -0.630 190 HD3 ARG 21 2HD ARG 21 5.185 11.718 -1.414 191 HE ARG 21 HE ARG 21 4.369 10.364 -3.389 192 HH11 ARG 21 1HH1 ARG 21 2.176 11.811 -1.073 193 HH12 ARG 21 2HH1 ARG 21 0.863 11.956 -2.209 194 HH21 ARG 21 1HH2 ARG 21 2.656 10.562 -4.885 195 HH22 ARG 21 2HH2 ARG 21 1.145 11.242 -4.374 196 H ILE 22 H ILE 22 6.786 6.123 0.261 197 HA ILE 22 HA ILE 22 8.953 6.275 -1.596 198 HB ILE 22 HB ILE 22 8.421 4.215 -0.280 199 HG12 ILE 22 1HG1 ILE 22 8.383 3.806 -3.278 200 HG13 ILE 22 2HG1 ILE 22 9.824 4.121 -2.317 201 HG21 ILE 22 1HG2 ILE 22 6.109 3.961 -0.286 202 HG22 ILE 22 2HG2 ILE 22 6.648 2.713 -1.407 203 HG23 ILE 22 3HG2 ILE 22 5.989 4.225 -2.026 204 HD11 ILE 22 3HD1 ILE 22 9.469 2.028 -1.111 205 HD12 ILE 22 1HD1 ILE 22 9.614 1.762 -2.848 206 HD13 ILE 22 2HD1 ILE 22 8.027 1.717 -2.078 207 H THR 23 H THR 23 8.883 6.143 -3.860 208 HA THR 23 HA THR 23 6.707 7.375 -5.161 209 HB THR 23 HB THR 23 8.193 6.046 -7.108 210 HG1 THR 23 HG1 THR 23 10.064 5.639 -6.151 211 HG21 THR 23 3HG2 THR 23 8.538 8.815 -5.952 212 HG22 THR 23 1HG2 THR 23 7.397 8.354 -7.216 213 HG23 THR 23 2HG2 THR 23 9.132 8.279 -7.524 214 H GLN 24 H GLN 24 5.360 6.509 -6.836 215 HA GLN 24 HA GLN 24 3.898 4.337 -5.790 216 HB2 GLN 24 1HB GLN 24 2.825 6.201 -6.948 217 HB3 GLN 24 2HB GLN 24 3.602 5.731 -8.455 218 HG2 GLN 24 1HG GLN 24 2.379 3.625 -8.435 219 HG3 GLN 24 2HG GLN 24 1.617 4.077 -6.911 220 HE21 GLN 24 1HE2 GLN 24 0.411 3.442 -9.482 221 HE22 GLN 24 2HE2 GLN 24 -0.551 4.821 -9.909 222 H GLU 25 H GLU 25 6.040 4.551 -8.612 223 HA GLU 25 HA GLU 25 5.325 2.081 -9.751 224 HB2 GLU 25 1HB GLU 25 6.731 3.958 -10.769 225 HB3 GLU 25 2HB GLU 25 8.086 3.279 -9.875 226 HG2 GLU 25 1HG GLU 25 8.067 2.501 -12.175 227 HG3 GLU 25 2HG GLU 25 7.812 1.161 -11.054 228 H GLU 26 H GLU 26 7.792 2.960 -7.397 229 HA GLU 26 HA GLU 26 8.798 0.310 -7.080 230 HB2 GLU 26 1HB GLU 26 9.051 2.762 -5.332 231 HB3 GLU 26 2HB GLU 26 9.937 1.263 -5.083 232 HG2 GLU 26 1HG GLU 26 11.106 1.526 -7.146 233 HG3 GLU 26 2HG GLU 26 10.095 2.895 -7.602 234 H LEU 27 H LEU 27 6.352 2.277 -5.536 235 HA LEU 27 HA LEU 27 5.750 0.722 -3.315 236 HB2 LEU 27 1HB LEU 27 4.804 2.982 -3.977 237 HB3 LEU 27 2HB LEU 27 3.732 2.131 -5.065 238 HG LEU 27 HG LEU 27 2.717 2.847 -2.880 239 HD11 LEU 27 1HD1 LEU 27 2.689 -0.102 -3.495 240 HD12 LEU 27 2HD1 LEU 27 1.643 1.133 -4.198 241 HD13 LEU 27 3HD1 LEU 27 1.518 0.744 -2.483 242 HD21 LEU 27 3HD2 LEU 27 4.589 2.412 -1.419 243 HD22 LEU 27 1HD2 LEU 27 4.522 0.690 -1.798 244 HD23 LEU 27 2HD2 LEU 27 3.199 1.450 -0.909 245 H HIS 28 H HIS 28 4.554 0.427 -6.661 246 HA HIS 28 HA HIS 28 2.780 -1.701 -6.081 247 HB2 HIS 28 1HB HIS 28 2.643 -0.219 -8.110 248 HB3 HIS 28 2HB HIS 28 4.005 -1.118 -8.777 249 HD1 HIS 28 HD1 HIS 28 3.491 -3.872 -8.875 250 HD2 HIS 28 HD2 HIS 28 0.258 -1.263 -8.761 251 HE1 HIS 28 HE1 HIS 28 1.479 -5.220 -9.544 252 H GLN 29 H GLN 29 6.087 -1.687 -7.437 253 HA GLN 29 HA GLN 29 6.140 -4.496 -7.803 254 HB2 GLN 29 1HB GLN 29 8.579 -4.258 -8.078 255 HB3 GLN 29 2HB GLN 29 7.676 -3.114 -9.054 256 HG2 GLN 29 1HG GLN 29 9.364 -1.793 -8.265 257 HG3 GLN 29 2HG GLN 29 8.123 -1.497 -7.053 258 HE21 GLN 29 1HE2 GLN 29 9.940 -4.466 -7.222 259 HE22 GLN 29 2HE2 GLN 29 10.845 -4.221 -5.768 260 H TYR 30 H TYR 30 6.753 -2.448 -5.083 261 HA TYR 30 HA TYR 30 7.954 -4.499 -3.472 262 HB2 TYR 30 1HB TYR 30 8.354 -2.049 -3.148 263 HB3 TYR 30 2HB TYR 30 6.689 -1.888 -2.604 264 HD1 TYR 30 HD1 TYR 30 9.515 -4.227 -1.844 265 HD2 TYR 30 HD2 TYR 30 6.523 -1.605 -0.327 266 HE1 TYR 30 HE1 TYR 30 10.218 -4.761 0.449 267 HE2 TYR 30 HE2 TYR 30 7.218 -2.138 1.968 268 HH TYR 30 HH TYR 30 8.360 -3.886 3.180 269 H ALA 31 H ALA 31 4.766 -3.617 -4.378 270 HA ALA 31 HA ALA 31 3.399 -4.498 -2.039 271 HB1 ALA 31 3HB ALA 31 2.363 -2.942 -3.605 272 HB2 ALA 31 1HB ALA 31 1.385 -4.400 -3.443 273 HB3 ALA 31 2HB ALA 31 2.394 -4.172 -4.870 274 H GLN 32 H GLN 32 3.793 -5.933 -5.263 275 HA GLN 32 HA GLN 32 2.669 -8.436 -4.454 276 HB2 GLN 32 1HB GLN 32 4.251 -7.695 -6.916 277 HB3 GLN 32 2HB GLN 32 3.425 -9.228 -6.671 278 HG2 GLN 32 1HG GLN 32 1.287 -8.018 -6.497 279 HG3 GLN 32 2HG GLN 32 2.137 -6.512 -6.831 280 HE21 GLN 32 1HE2 GLN 32 3.952 -7.849 -8.733 281 HE22 GLN 32 2HE2 GLN 32 3.010 -8.075 -10.167 282 H ARG 33 H ARG 33 5.767 -7.013 -4.251 283 HA ARG 33 HA ARG 33 7.347 -9.339 -4.050 284 HB2 ARG 33 1HB ARG 33 8.362 -7.159 -4.311 285 HB3 ARG 33 2HB ARG 33 7.666 -6.608 -2.794 286 HG2 ARG 33 1HG ARG 33 9.042 -8.244 -1.585 287 HG3 ARG 33 2HG ARG 33 9.759 -8.751 -3.116 288 HD2 ARG 33 1HD ARG 33 10.723 -6.580 -3.453 289 HD3 ARG 33 2HD ARG 33 9.864 -5.931 -2.057 290 HE ARG 33 HE ARG 33 11.456 -8.096 -1.222 291 HH11 ARG 33 1HH1 ARG 33 11.818 -4.813 -2.416 292 HH12 ARG 33 2HH1 ARG 33 13.280 -4.521 -1.514 293 HH21 ARG 33 1HH2 ARG 33 13.385 -7.723 -0.076 294 HH22 ARG 33 2HH2 ARG 33 14.199 -6.192 -0.224 295 H LEU 34 H LEU 34 5.233 -7.696 -1.769 296 HA LEU 34 HA LEU 34 6.181 -9.441 0.387 297 HB2 LEU 34 1HB LEU 34 4.422 -6.999 0.451 298 HB3 LEU 34 2HB LEU 34 4.823 -7.961 1.860 299 HG LEU 34 HG LEU 34 6.754 -6.369 0.174 300 HD11 LEU 34 1HD1 LEU 34 5.348 -5.018 1.636 301 HD12 LEU 34 2HD1 LEU 34 7.019 -5.037 2.201 302 HD13 LEU 34 3HD1 LEU 34 5.802 -6.023 3.013 303 HD21 LEU 34 3HD2 LEU 34 8.444 -7.027 1.809 304 HD22 LEU 34 1HD2 LEU 34 7.789 -8.432 0.970 305 HD23 LEU 34 2HD2 LEU 34 7.267 -8.065 2.614 306 H GLY 35 H GLY 35 3.615 -9.254 -1.835 307 HA2 GLY 35 1HA GLY 35 2.327 -11.378 -1.861 308 HA3 GLY 35 2HA GLY 35 2.105 -11.148 -0.137 309 H LEU 36 H LEU 36 1.854 -8.346 -2.170 310 HA LEU 36 HA LEU 36 -0.957 -8.223 -1.427 311 HB2 LEU 36 1HB LEU 36 0.680 -6.123 -2.834 312 HB3 LEU 36 2HB LEU 36 -0.904 -5.922 -2.104 313 HG LEU 36 HG LEU 36 1.681 -6.451 -0.656 314 HD11 LEU 36 1HD1 LEU 36 1.217 -4.258 0.355 315 HD12 LEU 36 2HD1 LEU 36 -0.176 -4.082 -0.714 316 HD13 LEU 36 3HD1 LEU 36 1.452 -4.165 -1.390 317 HD21 LEU 36 3HD2 LEU 36 0.356 -6.284 1.397 318 HD22 LEU 36 1HD2 LEU 36 -0.130 -7.665 0.415 319 HD23 LEU 36 2HD2 LEU 36 -1.120 -6.205 0.433 320 H ASN 37 H ASN 37 -2.570 -8.519 -2.721 321 HA ASN 37 HA ASN 37 -2.164 -8.783 -5.586 322 HB2 ASN 37 1HB ASN 37 -4.447 -9.557 -5.674 323 HB3 ASN 37 2HB ASN 37 -3.631 -10.382 -4.357 324 HD21 ASN 37 1HD2 ASN 37 -3.942 -7.665 -2.833 325 HD22 ASN 37 2HD2 ASN 37 -5.549 -7.810 -2.207 326 H GLU 38 H GLU 38 -3.845 -7.620 -7.002 327 HA GLU 38 HA GLU 38 -3.321 -4.870 -6.747 328 HB2 GLU 38 1HB GLU 38 -5.344 -6.290 -8.480 329 HB3 GLU 38 2HB GLU 38 -4.865 -4.607 -8.663 330 HG2 GLU 38 1HG GLU 38 -2.552 -5.334 -9.078 331 HG3 GLU 38 2HG GLU 38 -3.081 -7.013 -8.965 332 H GLU 39 H GLU 39 -6.027 -6.812 -5.747 333 HA GLU 39 HA GLU 39 -7.995 -4.960 -5.185 334 HB2 GLU 39 1HB GLU 39 -8.315 -7.340 -4.906 335 HB3 GLU 39 2HB GLU 39 -7.090 -7.395 -3.647 336 HG2 GLU 39 1HG GLU 39 -9.290 -7.561 -2.682 337 HG3 GLU 39 2HG GLU 39 -8.534 -6.043 -2.202 338 H ALA 40 H ALA 40 -5.275 -5.949 -3.151 339 HA ALA 40 HA ALA 40 -5.939 -4.205 -0.988 340 HB1 ALA 40 3HB ALA 40 -3.334 -5.609 -1.581 341 HB2 ALA 40 1HB ALA 40 -4.675 -6.279 -0.651 342 HB3 ALA 40 2HB ALA 40 -3.800 -4.872 -0.047 343 H ILE 41 H ILE 41 -3.931 -4.015 -3.810 344 HA ILE 41 HA ILE 41 -2.426 -1.740 -3.054 345 HB ILE 41 HB ILE 41 -3.065 -2.695 -5.852 346 HG12 ILE 41 1HG1 ILE 41 -0.803 -3.481 -3.997 347 HG13 ILE 41 2HG1 ILE 41 -2.150 -4.518 -4.471 348 HG21 ILE 41 1HG2 ILE 41 -0.930 -1.624 -6.432 349 HG22 ILE 41 2HG2 ILE 41 -0.786 -1.045 -4.773 350 HG23 ILE 41 3HG2 ILE 41 -2.101 -0.468 -5.797 351 HD11 ILE 41 3HD1 ILE 41 -0.112 -5.050 -5.690 352 HD12 ILE 41 1HD1 ILE 41 -0.049 -3.406 -6.323 353 HD13 ILE 41 2HD1 ILE 41 -1.377 -4.476 -6.777 354 H ARG 42 H ARG 42 -5.238 -2.214 -5.131 355 HA ARG 42 HA ARG 42 -5.878 0.456 -5.659 356 HB2 ARG 42 1HB ARG 42 -6.993 -1.079 -6.975 357 HB3 ARG 42 2HB ARG 42 -7.342 -2.148 -5.629 358 HG2 ARG 42 1HG ARG 42 -9.001 -0.446 -4.838 359 HG3 ARG 42 2HG ARG 42 -8.729 0.406 -6.361 360 HD2 ARG 42 1HD ARG 42 -9.605 -1.348 -7.636 361 HD3 ARG 42 2HD ARG 42 -9.465 -2.499 -6.308 362 HE ARG 42 HE ARG 42 -11.221 -0.461 -5.522 363 HH11 ARG 42 1HH1 ARG 42 -11.075 -3.049 -7.897 364 HH12 ARG 42 2HH1 ARG 42 -12.787 -3.346 -7.856 365 HH21 ARG 42 1HH2 ARG 42 -13.466 -0.862 -5.473 366 HH22 ARG 42 2HH2 ARG 42 -14.156 -2.085 -6.506 367 H GLN 43 H GLN 43 -6.652 -1.634 -2.948 368 HA GLN 43 HA GLN 43 -8.606 -0.161 -1.650 369 HB2 GLN 43 1HB GLN 43 -7.787 -2.484 -1.115 370 HB3 GLN 43 2HB GLN 43 -6.402 -1.759 -0.314 371 HG2 GLN 43 1HG GLN 43 -9.162 -0.997 0.527 372 HG3 GLN 43 2HG GLN 43 -8.479 -2.534 1.050 373 HE21 GLN 43 1HE2 GLN 43 -5.753 -1.388 1.107 374 HE22 GLN 43 2HE2 GLN 43 -5.688 -0.408 2.535 375 H PHE 44 H PHE 44 -5.100 0.272 -1.636 376 HA PHE 44 HA PHE 44 -5.160 2.307 0.391 377 HB2 PHE 44 1HB PHE 44 -3.090 1.010 -1.311 378 HB3 PHE 44 2HB PHE 44 -2.728 2.591 -0.646 379 HD1 PHE 44 HD1 PHE 44 -3.527 -0.903 0.197 380 HD2 PHE 44 HD2 PHE 44 -2.240 2.881 1.652 381 HE1 PHE 44 HE1 PHE 44 -2.873 -1.950 2.328 382 HE2 PHE 44 HE2 PHE 44 -1.584 1.846 3.787 383 HZ PHE 44 HZ PHE 44 -1.899 -0.571 4.129 384 H PHE 45 H PHE 45 -4.820 2.272 -3.156 385 HA PHE 45 HA PHE 45 -4.195 5.068 -3.202 386 HB2 PHE 45 1HB PHE 45 -4.629 3.038 -5.369 387 HB3 PHE 45 2HB PHE 45 -4.386 4.744 -5.728 388 HD1 PHE 45 HD1 PHE 45 -2.334 5.609 -3.948 389 HD2 PHE 45 HD2 PHE 45 -2.745 1.864 -5.923 390 HE1 PHE 45 HE1 PHE 45 0.103 5.297 -3.851 391 HE2 PHE 45 HE2 PHE 45 -0.307 1.543 -5.826 392 HZ PHE 45 HZ PHE 45 1.119 3.260 -4.791 393 H GLU 46 H GLU 46 -7.073 3.185 -4.204 394 HA GLU 46 HA GLU 46 -8.287 5.451 -5.425 395 HB2 GLU 46 1HB GLU 46 -10.062 4.082 -5.967 396 HB3 GLU 46 2HB GLU 46 -8.761 2.919 -5.786 397 HG2 GLU 46 1HG GLU 46 -9.555 2.219 -3.671 398 HG3 GLU 46 2HG GLU 46 -10.704 3.555 -3.595 399 H GLU 47 H GLU 47 -8.590 3.987 -2.238 400 HA GLU 47 HA GLU 47 -10.551 6.010 -1.470 401 HB2 GLU 47 1HB GLU 47 -9.484 3.614 -0.001 402 HB3 GLU 47 2HB GLU 47 -10.612 4.766 0.695 403 HG2 GLU 47 1HG GLU 47 -12.157 4.224 -1.222 404 HG3 GLU 47 2HG GLU 47 -11.070 2.887 -1.593 405 H PHE 48 H PHE 48 -7.629 6.567 -1.957 406 HA PHE 48 HA PHE 48 -6.354 7.016 0.507 407 HB2 PHE 48 1HB PHE 48 -5.442 7.112 -1.976 408 HB3 PHE 48 2HB PHE 48 -5.824 8.823 -1.805 409 HD1 PHE 48 HD1 PHE 48 -4.042 6.097 0.006 410 HD2 PHE 48 HD2 PHE 48 -4.230 10.239 -0.967 411 HE1 PHE 48 HE1 PHE 48 -1.919 6.474 1.193 412 HE2 PHE 48 HE2 PHE 48 -2.111 10.619 0.220 413 HZ PHE 48 HZ PHE 48 -0.954 8.735 1.303 414 H GLU 49 H GLU 49 -5.807 9.174 1.365 415 HA GLU 49 HA GLU 49 -8.194 10.306 2.322 416 HB2 GLU 49 1HB GLU 49 -6.715 11.808 3.580 417 HB3 GLU 49 2HB GLU 49 -6.172 10.138 3.668 418 HG2 GLU 49 1HG GLU 49 -4.559 10.679 1.811 419 HG3 GLU 49 2HG GLU 49 -4.994 12.372 2.039 420 H GLN 50 H GLN 50 -6.403 11.029 -0.471 421 HA GLN 50 HA GLN 50 -7.319 13.806 -0.541 422 HB2 GLN 50 1HB GLN 50 -5.384 12.364 -2.357 423 HB3 GLN 50 2HB GLN 50 -5.762 14.079 -2.413 424 HG2 GLN 50 1HG GLN 50 -4.492 12.665 -0.082 425 HG3 GLN 50 2HG GLN 50 -3.625 13.596 -1.301 426 HE21 GLN 50 1HE2 GLN 50 -5.724 15.618 -1.482 427 HE22 GLN 50 2HE2 GLN 50 -5.580 16.583 -0.052 428 H ARG 51 H ARG 51 -8.491 10.879 -1.482 429 HA ARG 51 HA ARG 51 -9.617 11.953 -3.985 430 HB2 ARG 51 1HB ARG 51 -8.950 9.116 -3.222 431 HB3 ARG 51 2HB ARG 51 -9.966 9.519 -4.597 432 HG2 ARG 51 1HG ARG 51 -8.106 10.829 -5.544 433 HG3 ARG 51 2HG ARG 51 -7.098 10.316 -4.191 434 HD2 ARG 51 1HD ARG 51 -7.305 8.009 -4.845 435 HD3 ARG 51 2HD ARG 51 -8.451 8.435 -6.116 436 HE ARG 51 HE ARG 51 -5.917 9.764 -6.395 437 HH11 ARG 51 1HH1 ARG 51 -7.719 6.842 -7.075 438 HH12 ARG 51 2HH1 ARG 51 -6.715 6.368 -8.407 439 HH21 ARG 51 1HH2 ARG 51 -4.593 9.160 -8.169 440 HH22 ARG 51 2HH2 ARG 51 -4.944 7.691 -9.038 441 H LYS 52 H LYS 52 -11.639 12.518 -3.819 442 HA LYS 52 HA LYS 52 -13.642 10.681 -3.128 443 HB2 LYS 52 1HB LYS 52 -14.681 12.001 -1.249 444 HB3 LYS 52 2HB LYS 52 -13.238 11.094 -0.837 445 HG2 LYS 52 1HG LYS 52 -11.920 13.150 -0.940 446 HG3 LYS 52 2HG LYS 52 -13.377 14.059 -1.353 447 HD2 LYS 52 1HD LYS 52 -12.966 12.466 1.178 448 HD3 LYS 52 2HD LYS 52 -12.835 14.221 1.047 449 HE2 LYS 52 1HE LYS 52 -15.152 14.430 0.529 450 HE3 LYS 52 2HE LYS 52 -15.326 12.687 0.328 451 HZ1 LYS 52 3HZ LYS 52 -14.568 13.947 2.904 452 HZ2 LYS 52 1HZ LYS 52 -15.062 12.348 2.631 453 HZ3 LYS 52 2HZ LYS 52 -16.174 13.613 2.473 Start of MODEL 18 1 H1 MET 1 1H MET 1 -10.460 -5.397 9.016 2 H2 MET 1 2H MET 1 -11.623 -6.443 9.663 3 H3 MET 1 3H MET 1 -11.493 -6.255 7.980 4 HA MET 1 HA MET 1 -9.440 -7.418 9.776 5 HB2 MET 1 1HB MET 1 -9.989 -9.564 8.860 6 HB3 MET 1 2HB MET 1 -11.531 -8.825 9.281 7 HG2 MET 1 1HG MET 1 -11.929 -8.253 6.972 8 HG3 MET 1 2HG MET 1 -10.335 -8.859 6.518 9 HE1 MET 1 3HE MET 1 -11.491 -10.333 4.620 10 HE2 MET 1 1HE MET 1 -13.078 -9.742 5.110 11 HE3 MET 1 2HE MET 1 -12.797 -11.475 4.931 12 H LYS 2 H LYS 2 -7.948 -8.796 8.257 13 HA LYS 2 HA LYS 2 -6.490 -6.988 6.687 14 HB2 LYS 2 1HB LYS 2 -5.219 -9.027 5.980 15 HB3 LYS 2 2HB LYS 2 -5.357 -8.813 7.720 16 HG2 LYS 2 1HG LYS 2 -6.861 -10.569 7.941 17 HG3 LYS 2 2HG LYS 2 -7.290 -10.540 6.230 18 HD2 LYS 2 1HD LYS 2 -4.592 -11.338 7.312 19 HD3 LYS 2 2HD LYS 2 -5.865 -12.473 6.854 20 HE2 LYS 2 1HE LYS 2 -4.473 -10.495 5.052 21 HE3 LYS 2 2HE LYS 2 -4.279 -12.249 5.040 22 HZ1 LYS 2 3HZ LYS 2 -6.745 -10.737 4.366 23 HZ2 LYS 2 1HZ LYS 2 -6.648 -12.428 4.447 24 HZ3 LYS 2 2HZ LYS 2 -5.752 -11.578 3.280 25 H GLN 3 H GLN 3 -6.747 -6.329 4.684 26 HA GLN 3 HA GLN 3 -8.559 -7.772 2.884 27 HB2 GLN 3 1HB GLN 3 -7.205 -5.080 2.585 28 HB3 GLN 3 2HB GLN 3 -8.361 -5.765 1.445 29 HG2 GLN 3 1HG GLN 3 -8.919 -5.072 4.321 30 HG3 GLN 3 2HG GLN 3 -9.410 -4.133 2.911 31 HE21 GLN 3 1HE2 GLN 3 -10.962 -5.522 5.051 32 HE22 GLN 3 2HE2 GLN 3 -12.076 -6.540 4.202 33 H TRP 4 H TRP 4 -5.238 -6.612 3.085 34 HA TRP 4 HA TRP 4 -4.493 -8.834 1.323 35 HB2 TRP 4 1HB TRP 4 -2.278 -7.436 1.147 36 HB3 TRP 4 2HB TRP 4 -3.649 -7.013 0.133 37 HD1 TRP 4 HD1 TRP 4 -1.486 -5.661 2.931 38 HE1 TRP 4 HE1 TRP 4 -2.085 -3.200 3.357 39 HE3 TRP 4 HE3 TRP 4 -5.658 -5.347 0.034 40 HZ2 TRP 4 HZ2 TRP 4 -4.070 -1.367 2.569 41 HZ3 TRP 4 HZ3 TRP 4 -6.861 -3.201 -0.083 42 HH2 TRP 4 HH2 TRP 4 -6.080 -1.250 1.162 43 H SER 5 H SER 5 -1.833 -9.002 2.111 44 HA SER 5 HA SER 5 -1.905 -10.439 4.450 45 HB2 SER 5 1HB SER 5 0.023 -10.532 2.962 46 HB3 SER 5 2HB SER 5 0.445 -8.868 3.352 47 HG SER 5 HG SER 5 1.578 -10.642 4.520 48 H GLU 6 H GLU 6 -2.256 -9.936 6.497 49 HA GLU 6 HA GLU 6 -3.037 -7.379 7.293 50 HB2 GLU 6 1HB GLU 6 -3.738 -9.435 8.437 51 HB3 GLU 6 2HB GLU 6 -2.094 -9.677 9.017 52 HG2 GLU 6 1HG GLU 6 -2.272 -7.524 10.240 53 HG3 GLU 6 2HG GLU 6 -3.966 -7.438 9.752 54 H ASN 7 H ASN 7 0.052 -9.027 7.604 55 HA ASN 7 HA ASN 7 1.215 -6.993 9.228 56 HB2 ASN 7 1HB ASN 7 2.472 -9.242 7.674 57 HB3 ASN 7 2HB ASN 7 3.360 -8.179 8.760 58 HD21 ASN 7 1HD2 ASN 7 1.155 -8.018 10.678 59 HD22 ASN 7 2HD2 ASN 7 1.120 -9.542 11.497 60 H VAL 8 H VAL 8 0.432 -7.189 6.006 61 HA VAL 8 HA VAL 8 2.570 -5.379 5.172 62 HB VAL 8 HB VAL 8 0.424 -6.850 3.664 63 HG11 VAL 8 1HG1 VAL 8 2.341 -4.748 2.667 64 HG12 VAL 8 2HG1 VAL 8 0.577 -4.689 2.638 65 HG13 VAL 8 3HG1 VAL 8 1.437 -5.844 1.622 66 HG21 VAL 8 3HG2 VAL 8 2.406 -7.828 2.528 67 HG22 VAL 8 1HG2 VAL 8 2.305 -8.204 4.248 68 HG23 VAL 8 2HG2 VAL 8 3.429 -6.972 3.681 69 H GLU 9 H GLU 9 -0.904 -5.518 5.775 70 HA GLU 9 HA GLU 9 -1.713 -3.015 4.908 71 HB2 GLU 9 1HB GLU 9 -2.481 -4.410 7.483 72 HB3 GLU 9 2HB GLU 9 -3.378 -3.090 6.740 73 HG2 GLU 9 1HG GLU 9 -3.615 -4.602 4.716 74 HG3 GLU 9 2HG GLU 9 -3.032 -5.901 5.755 75 H GLU 10 H GLU 10 -0.254 -3.939 7.963 76 HA GLU 10 HA GLU 10 0.076 -1.443 9.135 77 HB2 GLU 10 1HB GLU 10 0.448 -3.376 10.443 78 HB3 GLU 10 2HB GLU 10 1.611 -4.027 9.299 79 HG2 GLU 10 1HG GLU 10 3.202 -2.300 9.905 80 HG3 GLU 10 2HG GLU 10 2.031 -1.601 11.029 81 H LYS 11 H LYS 11 2.536 -3.309 7.360 82 HA LYS 11 HA LYS 11 4.443 -1.233 7.555 83 HB2 LYS 11 1HB LYS 11 5.007 -3.612 7.471 84 HB3 LYS 11 2HB LYS 11 4.449 -3.687 5.807 85 HG2 LYS 11 1HG LYS 11 6.234 -2.326 5.047 86 HG3 LYS 11 2HG LYS 11 6.668 -1.864 6.694 87 HD2 LYS 11 1HD LYS 11 6.817 -4.690 5.650 88 HD3 LYS 11 2HD LYS 11 8.182 -3.569 5.664 89 HE2 LYS 11 1HE LYS 11 8.033 -3.381 8.082 90 HE3 LYS 11 2HE LYS 11 6.617 -4.430 8.096 91 HZ1 LYS 11 3HZ LYS 11 9.254 -5.299 7.062 92 HZ2 LYS 11 1HZ LYS 11 7.909 -6.268 7.420 93 HZ3 LYS 11 2HZ LYS 11 8.775 -5.517 8.670 94 H LEU 12 H LEU 12 2.061 -1.980 5.130 95 HA LEU 12 HA LEU 12 3.166 -0.548 2.973 96 HB2 LEU 12 1HB LEU 12 1.135 -2.078 2.959 97 HB3 LEU 12 2HB LEU 12 0.229 -0.736 3.624 98 HG LEU 12 HG LEU 12 0.776 0.600 1.608 99 HD11 LEU 12 1HD1 LEU 12 2.845 -0.495 0.963 100 HD12 LEU 12 2HD1 LEU 12 1.678 -0.569 -0.358 101 HD13 LEU 12 3HD1 LEU 12 1.973 -1.992 0.637 102 HD21 LEU 12 3HD2 LEU 12 -0.552 -2.053 1.068 103 HD22 LEU 12 1HD2 LEU 12 -0.734 -0.589 0.105 104 HD23 LEU 12 2HD2 LEU 12 -1.329 -0.632 1.765 105 H LYS 13 H LYS 13 0.907 0.440 5.527 106 HA LYS 13 HA LYS 13 0.785 3.167 4.864 107 HB2 LYS 13 1HB LYS 13 -0.795 2.118 6.388 108 HB3 LYS 13 2HB LYS 13 0.496 1.784 7.531 109 HG2 LYS 13 1HG LYS 13 0.831 4.275 7.709 110 HG3 LYS 13 2HG LYS 13 -0.659 4.452 6.782 111 HD2 LYS 13 1HD LYS 13 -1.066 4.598 9.200 112 HD3 LYS 13 2HD LYS 13 -1.893 3.220 8.471 113 HE2 LYS 13 1HE LYS 13 -0.005 1.774 9.204 114 HE3 LYS 13 2HE LYS 13 0.679 3.162 10.048 115 HZ1 LYS 13 3HZ LYS 13 -1.302 3.269 11.418 116 HZ2 LYS 13 1HZ LYS 13 -0.578 1.743 11.536 117 HZ3 LYS 13 2HZ LYS 13 -1.975 1.947 10.597 118 H GLU 14 H GLU 14 2.971 1.325 6.911 119 HA GLU 14 HA GLU 14 4.396 3.450 8.051 120 HB2 GLU 14 1HB GLU 14 5.439 0.698 7.359 121 HB3 GLU 14 2HB GLU 14 6.121 1.800 8.546 122 HG2 GLU 14 1HG GLU 14 3.383 0.564 8.706 123 HG3 GLU 14 2HG GLU 14 4.817 -0.027 9.546 124 H PHE 15 H PHE 15 5.006 1.588 5.087 125 HA PHE 15 HA PHE 15 7.482 2.972 4.609 126 HB2 PHE 15 1HB PHE 15 7.159 0.571 4.123 127 HB3 PHE 15 2HB PHE 15 5.980 0.994 2.891 128 HD1 PHE 15 HD1 PHE 15 9.344 2.394 3.699 129 HD2 PHE 15 HD2 PHE 15 6.864 0.443 0.846 130 HE1 PHE 15 HE1 PHE 15 11.157 2.527 2.041 131 HE2 PHE 15 HE2 PHE 15 8.673 0.562 -0.814 132 HZ PHE 15 HZ PHE 15 10.821 1.609 -0.219 133 H VAL 16 H VAL 16 4.179 3.205 3.441 134 HA VAL 16 HA VAL 16 4.987 4.932 1.248 135 HB VAL 16 HB VAL 16 2.230 4.081 2.146 136 HG11 VAL 16 1HG1 VAL 16 1.426 4.991 0.031 137 HG12 VAL 16 2HG1 VAL 16 3.049 5.570 -0.351 138 HG13 VAL 16 3HG1 VAL 16 2.169 6.254 1.016 139 HG21 VAL 16 3HG2 VAL 16 2.276 2.666 0.144 140 HG22 VAL 16 1HG2 VAL 16 3.576 2.249 1.261 141 HG23 VAL 16 2HG2 VAL 16 3.927 3.191 -0.187 142 H LYS 17 H LYS 17 3.289 5.262 4.361 143 HA LYS 17 HA LYS 17 2.933 8.113 3.793 144 HB2 LYS 17 1HB LYS 17 0.953 6.839 4.507 145 HB3 LYS 17 2HB LYS 17 1.764 6.434 6.016 146 HG2 LYS 17 1HG LYS 17 0.249 8.223 6.453 147 HG3 LYS 17 2HG LYS 17 1.887 8.872 6.526 148 HD2 LYS 17 1HD LYS 17 1.161 9.191 3.869 149 HD3 LYS 17 2HD LYS 17 -0.320 9.552 4.755 150 HE2 LYS 17 1HE LYS 17 2.376 10.858 5.124 151 HE3 LYS 17 2HE LYS 17 0.932 11.581 4.419 152 HZ1 LYS 17 3HZ LYS 17 1.246 10.714 7.246 153 HZ2 LYS 17 1HZ LYS 17 -0.178 11.343 6.572 154 HZ3 LYS 17 2HZ LYS 17 1.205 12.312 6.683 155 H ARG 18 H ARG 18 4.454 5.967 6.164 156 HA ARG 18 HA ARG 18 5.260 8.255 7.757 157 HB2 ARG 18 1HB ARG 18 5.397 5.294 8.165 158 HB3 ARG 18 2HB ARG 18 6.405 6.358 9.137 159 HG2 ARG 18 1HG ARG 18 4.415 7.559 9.894 160 HG3 ARG 18 2HG ARG 18 3.403 6.491 8.920 161 HD2 ARG 18 1HD ARG 18 3.815 4.654 10.288 162 HD3 ARG 18 2HD ARG 18 5.271 5.371 10.978 163 HE ARG 18 HE ARG 18 3.579 7.051 11.973 164 HH11 ARG 18 1HH1 ARG 18 2.897 3.638 11.448 165 HH12 ARG 18 2HH1 ARG 18 1.859 3.527 12.840 166 HH21 ARG 18 1HH2 ARG 18 2.221 6.875 13.778 167 HH22 ARG 18 2HH2 ARG 18 1.492 5.346 14.174 168 H HIS 19 H HIS 19 6.630 6.298 5.290 169 HA HIS 19 HA HIS 19 9.337 7.165 5.923 170 HB2 HIS 19 1HB HIS 19 8.145 5.325 3.878 171 HB3 HIS 19 2HB HIS 19 9.759 5.978 3.623 172 HD1 HIS 19 HD1 HIS 19 7.901 4.040 6.351 173 HD2 HIS 19 HD2 HIS 19 11.694 4.501 4.713 174 HE1 HIS 19 HE1 HIS 19 9.391 2.361 7.517 175 H GLN 20 H GLN 20 10.210 7.482 3.196 176 HA GLN 20 HA GLN 20 9.499 10.281 2.927 177 HB2 GLN 20 1HB GLN 20 11.404 8.670 1.221 178 HB3 GLN 20 2HB GLN 20 11.338 10.419 1.379 179 HG2 GLN 20 1HG GLN 20 12.165 8.454 3.502 180 HG3 GLN 20 2HG GLN 20 13.219 9.538 2.593 181 HE21 GLN 20 1HE2 GLN 20 12.747 9.275 5.462 182 HE22 GLN 20 2HE2 GLN 20 12.247 10.839 6.013 183 H ARG 21 H ARG 21 7.465 8.329 2.319 184 HA ARG 21 HA ARG 21 5.874 7.811 0.788 185 HB2 ARG 21 1HB ARG 21 7.071 10.043 -0.873 186 HB3 ARG 21 2HB ARG 21 5.459 9.363 -1.042 187 HG2 ARG 21 1HG ARG 21 4.790 10.255 1.081 188 HG3 ARG 21 2HG ARG 21 6.436 10.789 1.421 189 HD2 ARG 21 1HD ARG 21 5.244 12.709 0.727 190 HD3 ARG 21 2HD ARG 21 6.272 12.243 -0.624 191 HE ARG 21 HE ARG 21 3.371 11.696 -0.483 192 HH11 ARG 21 1HH1 ARG 21 6.286 12.345 -2.320 193 HH12 ARG 21 2HH1 ARG 21 5.441 12.574 -3.824 194 HH21 ARG 21 1HH2 ARG 21 2.245 12.044 -2.442 195 HH22 ARG 21 2HH2 ARG 21 3.134 12.427 -3.887 196 H ILE 22 H ILE 22 5.825 7.559 -1.943 197 HA ILE 22 HA ILE 22 8.227 6.514 -3.024 198 HB ILE 22 HB ILE 22 7.829 4.710 -1.414 199 HG12 ILE 22 1HG1 ILE 22 7.214 3.818 -4.241 200 HG13 ILE 22 2HG1 ILE 22 8.822 4.186 -3.628 201 HG21 ILE 22 1HG2 ILE 22 5.424 4.936 -1.171 202 HG22 ILE 22 2HG2 ILE 22 5.854 3.275 -1.585 203 HG23 ILE 22 3HG2 ILE 22 5.189 4.348 -2.817 204 HD11 ILE 22 3HD1 ILE 22 8.410 1.793 -3.703 205 HD12 ILE 22 1HD1 ILE 22 7.022 1.992 -2.631 206 HD13 ILE 22 2HD1 ILE 22 8.647 2.353 -2.047 207 H THR 23 H THR 23 8.021 5.955 -5.193 208 HA THR 23 HA THR 23 5.695 6.893 -6.564 209 HB THR 23 HB THR 23 6.918 6.023 -8.594 210 HG1 THR 23 HG1 THR 23 9.262 5.585 -7.961 211 HG21 THR 23 3HG2 THR 23 8.693 7.721 -8.482 212 HG22 THR 23 1HG2 THR 23 8.451 7.851 -6.740 213 HG23 THR 23 2HG2 THR 23 7.168 8.337 -7.847 214 H GLN 24 H GLN 24 4.404 5.593 -8.029 215 HA GLN 24 HA GLN 24 3.460 3.261 -6.700 216 HB2 GLN 24 1HB GLN 24 2.009 4.888 -7.919 217 HB3 GLN 24 2HB GLN 24 2.683 4.294 -9.430 218 HG2 GLN 24 1HG GLN 24 1.807 2.067 -8.946 219 HG3 GLN 24 2HG GLN 24 1.129 2.667 -7.433 220 HE21 GLN 24 1HE2 GLN 24 0.892 2.720 -10.904 221 HE22 GLN 24 2HE2 GLN 24 -0.714 3.380 -10.979 222 H GLU 25 H GLU 25 5.569 3.854 -9.400 223 HA GLU 25 HA GLU 25 5.560 1.372 -10.666 224 HB2 GLU 25 1HB GLU 25 6.767 3.378 -11.478 225 HB3 GLU 25 2HB GLU 25 7.938 3.179 -10.183 226 HG2 GLU 25 1HG GLU 25 8.860 2.329 -12.215 227 HG3 GLU 25 2HG GLU 25 8.550 0.984 -11.118 228 H GLU 26 H GLU 26 7.805 2.487 -8.137 229 HA GLU 26 HA GLU 26 8.959 -0.060 -7.703 230 HB2 GLU 26 1HB GLU 26 9.973 2.179 -7.102 231 HB3 GLU 26 2HB GLU 26 8.853 2.243 -5.749 232 HG2 GLU 26 1HG GLU 26 10.931 1.479 -4.915 233 HG3 GLU 26 2HG GLU 26 9.835 0.100 -4.933 234 H LEU 27 H LEU 27 6.250 1.663 -6.310 235 HA LEU 27 HA LEU 27 5.801 0.057 -4.058 236 HB2 LEU 27 1HB LEU 27 4.761 2.317 -4.745 237 HB3 LEU 27 2HB LEU 27 3.610 1.363 -5.655 238 HG LEU 27 HG LEU 27 2.873 2.159 -3.363 239 HD11 LEU 27 1HD1 LEU 27 1.689 0.396 -4.546 240 HD12 LEU 27 2HD1 LEU 27 1.729 0.070 -2.812 241 HD13 LEU 27 3HD1 LEU 27 2.807 -0.804 -3.902 242 HD21 LEU 27 3HD2 LEU 27 4.994 1.696 -2.203 243 HD22 LEU 27 1HD2 LEU 27 4.743 -0.031 -2.454 244 HD23 LEU 27 2HD2 LEU 27 3.631 0.884 -1.434 245 H HIS 28 H HIS 28 4.776 -0.295 -7.429 246 HA HIS 28 HA HIS 28 2.982 -2.415 -7.026 247 HB2 HIS 28 1HB HIS 28 3.203 -1.101 -9.162 248 HB3 HIS 28 2HB HIS 28 4.681 -2.000 -9.494 249 HD1 HIS 28 HD1 HIS 28 3.994 -4.852 -9.086 250 HD2 HIS 28 HD2 HIS 28 1.227 -2.158 -10.620 251 HE1 HIS 28 HE1 HIS 28 2.238 -6.233 -10.245 252 H GLN 29 H GLN 29 6.451 -2.410 -7.755 253 HA GLN 29 HA GLN 29 6.719 -5.230 -7.823 254 HB2 GLN 29 1HB GLN 29 8.804 -3.137 -7.159 255 HB3 GLN 29 2HB GLN 29 9.139 -4.818 -7.559 256 HG2 GLN 29 1HG GLN 29 7.910 -2.752 -9.366 257 HG3 GLN 29 2HG GLN 29 9.541 -3.410 -9.470 258 HE21 GLN 29 1HE2 GLN 29 8.722 -6.138 -8.869 259 HE22 GLN 29 2HE2 GLN 29 7.897 -6.722 -10.281 260 H TYR 30 H TYR 30 6.753 -2.873 -5.267 261 HA TYR 30 HA TYR 30 7.763 -4.568 -3.228 262 HB2 TYR 30 1HB TYR 30 7.636 -2.003 -3.293 263 HB3 TYR 30 2HB TYR 30 5.954 -2.199 -2.810 264 HD1 TYR 30 HD1 TYR 30 9.322 -3.449 -1.770 265 HD2 TYR 30 HD2 TYR 30 5.513 -1.995 -0.553 266 HE1 TYR 30 HE1 TYR 30 10.046 -3.547 0.577 267 HE2 TYR 30 HE2 TYR 30 6.227 -2.084 1.801 268 HH TYR 30 HH TYR 30 9.390 -2.359 2.766 269 H ALA 31 H ALA 31 4.571 -3.972 -4.573 270 HA ALA 31 HA ALA 31 3.086 -5.122 -2.443 271 HB1 ALA 31 3HB ALA 31 2.324 -4.788 -5.348 272 HB2 ALA 31 1HB ALA 31 1.988 -3.656 -4.036 273 HB3 ALA 31 2HB ALA 31 1.219 -5.245 -4.052 274 H GLN 32 H GLN 32 4.294 -6.414 -5.504 275 HA GLN 32 HA GLN 32 3.136 -8.976 -5.263 276 HB2 GLN 32 1HB GLN 32 5.560 -8.026 -6.796 277 HB3 GLN 32 2HB GLN 32 4.896 -9.647 -6.935 278 HG2 GLN 32 1HG GLN 32 3.358 -7.128 -7.538 279 HG3 GLN 32 2HG GLN 32 4.204 -8.098 -8.743 280 HE21 GLN 32 1HE2 GLN 32 3.385 -10.103 -9.317 281 HE22 GLN 32 2HE2 GLN 32 1.780 -10.608 -8.905 282 H ARG 33 H ARG 33 6.216 -7.657 -4.202 283 HA ARG 33 HA ARG 33 7.383 -9.994 -3.215 284 HB2 ARG 33 1HB ARG 33 8.695 -8.008 -3.378 285 HB3 ARG 33 2HB ARG 33 7.576 -7.108 -2.367 286 HG2 ARG 33 1HG ARG 33 8.208 -8.506 -0.447 287 HG3 ARG 33 2HG ARG 33 9.379 -9.346 -1.467 288 HD2 ARG 33 1HD ARG 33 10.703 -7.417 -1.715 289 HD3 ARG 33 2HD ARG 33 9.419 -6.362 -1.123 290 HE ARG 33 HE ARG 33 10.150 -8.207 0.893 291 HH11 ARG 33 1HH1 ARG 33 11.383 -5.388 -0.785 292 HH12 ARG 33 2HH1 ARG 33 12.303 -4.821 0.579 293 HH21 ARG 33 1HH2 ARG 33 11.327 -7.467 2.687 294 HH22 ARG 33 2HH2 ARG 33 12.262 -6.005 2.576 295 H LEU 34 H LEU 34 5.186 -7.679 -1.665 296 HA LEU 34 HA LEU 34 5.269 -9.070 0.848 297 HB2 LEU 34 1HB LEU 34 3.557 -6.795 -0.129 298 HB3 LEU 34 2HB LEU 34 3.543 -7.408 1.514 299 HG LEU 34 HG LEU 34 5.895 -6.127 0.127 300 HD11 LEU 34 1HD1 LEU 34 5.576 -4.330 1.742 301 HD12 LEU 34 2HD1 LEU 34 4.139 -5.140 2.361 302 HD13 LEU 34 3HD1 LEU 34 4.162 -4.530 0.708 303 HD21 LEU 34 3HD2 LEU 34 5.619 -7.172 2.938 304 HD22 LEU 34 1HD2 LEU 34 6.983 -6.243 2.318 305 HD23 LEU 34 2HD2 LEU 34 6.639 -7.844 1.665 306 H GLY 35 H GLY 35 3.192 -9.114 -1.956 307 HA2 GLY 35 1HA GLY 35 2.062 -11.306 -2.191 308 HA3 GLY 35 2HA GLY 35 1.526 -11.110 -0.541 309 H LEU 36 H LEU 36 1.498 -8.295 -2.521 310 HA LEU 36 HA LEU 36 -1.413 -8.551 -2.809 311 HB2 LEU 36 1HB LEU 36 -1.030 -5.867 -2.558 312 HB3 LEU 36 2HB LEU 36 -1.533 -6.922 -1.255 313 HG LEU 36 HG LEU 36 1.384 -6.446 -1.760 314 HD11 LEU 36 1HD1 LEU 36 -0.462 -4.672 -0.174 315 HD12 LEU 36 2HD1 LEU 36 0.456 -4.226 -1.613 316 HD13 LEU 36 3HD1 LEU 36 1.299 -4.616 -0.116 317 HD21 LEU 36 3HD2 LEU 36 1.598 -7.020 0.549 318 HD22 LEU 36 1HD2 LEU 36 0.573 -8.234 -0.217 319 HD23 LEU 36 2HD2 LEU 36 -0.147 -6.970 0.786 320 H ASN 37 H ASN 37 -2.264 -6.897 -4.362 321 HA ASN 37 HA ASN 37 -0.345 -5.793 -6.226 322 HB2 ASN 37 1HB ASN 37 -1.232 -8.148 -6.978 323 HB3 ASN 37 2HB ASN 37 -2.674 -7.243 -7.414 324 HD21 ASN 37 1HD2 ASN 37 -1.086 -4.831 -8.107 325 HD22 ASN 37 2HD2 ASN 37 -0.356 -5.187 -9.634 326 H GLU 38 H GLU 38 -3.078 -5.691 -7.837 327 HA GLU 38 HA GLU 38 -3.529 -2.994 -7.401 328 HB2 GLU 38 1HB GLU 38 -5.342 -5.088 -8.609 329 HB3 GLU 38 2HB GLU 38 -5.661 -3.359 -8.673 330 HG2 GLU 38 1HG GLU 38 -3.197 -4.676 -9.787 331 HG3 GLU 38 2HG GLU 38 -4.630 -4.258 -10.729 332 H GLU 39 H GLU 39 -4.820 -5.743 -5.728 333 HA GLU 39 HA GLU 39 -7.058 -4.825 -4.459 334 HB2 GLU 39 1HB GLU 39 -6.055 -7.045 -4.099 335 HB3 GLU 39 2HB GLU 39 -4.748 -6.307 -3.188 336 HG2 GLU 39 1HG GLU 39 -6.301 -7.259 -1.653 337 HG3 GLU 39 2HG GLU 39 -6.426 -5.505 -1.546 338 H ALA 40 H ALA 40 -3.698 -4.259 -3.560 339 HA ALA 40 HA ALA 40 -4.536 -2.293 -1.565 340 HB1 ALA 40 3HB ALA 40 -2.155 -2.354 -0.893 341 HB2 ALA 40 1HB ALA 40 -1.851 -3.518 -2.185 342 HB3 ALA 40 2HB ALA 40 -2.926 -3.941 -0.848 343 H ILE 41 H ILE 41 -2.501 -2.575 -4.456 344 HA ILE 41 HA ILE 41 -1.373 -0.030 -4.435 345 HB ILE 41 HB ILE 41 -2.084 -1.715 -6.840 346 HG12 ILE 41 1HG1 ILE 41 0.528 -1.508 -5.337 347 HG13 ILE 41 2HG1 ILE 41 -0.645 -2.794 -5.084 348 HG21 ILE 41 1HG2 ILE 41 -0.109 0.546 -6.560 349 HG22 ILE 41 2HG2 ILE 41 -1.619 0.589 -7.472 350 HG23 ILE 41 3HG2 ILE 41 -0.310 -0.475 -7.986 351 HD11 ILE 41 3HD1 ILE 41 -0.388 -3.453 -7.435 352 HD12 ILE 41 1HD1 ILE 41 1.118 -3.557 -6.522 353 HD13 ILE 41 2HD1 ILE 41 0.844 -2.207 -7.630 354 H ARG 42 H ARG 42 -4.492 -1.116 -5.609 355 HA ARG 42 HA ARG 42 -5.108 1.523 -6.623 356 HB2 ARG 42 1HB ARG 42 -5.732 -0.605 -7.815 357 HB3 ARG 42 2HB ARG 42 -6.901 -0.842 -6.538 358 HG2 ARG 42 1HG ARG 42 -8.118 1.081 -7.155 359 HG3 ARG 42 2HG ARG 42 -6.859 1.588 -8.286 360 HD2 ARG 42 1HD ARG 42 -8.598 -0.870 -8.499 361 HD3 ARG 42 2HD ARG 42 -8.720 0.585 -9.488 362 HE ARG 42 HE ARG 42 -6.136 -0.691 -9.594 363 HH11 ARG 42 1HH1 ARG 42 -9.347 -0.562 -10.990 364 HH12 ARG 42 2HH1 ARG 42 -8.855 -1.274 -12.505 365 HH21 ARG 42 1HH2 ARG 42 -5.479 -1.620 -11.570 366 HH22 ARG 42 2HH2 ARG 42 -6.665 -1.881 -12.829 367 H GLN 43 H GLN 43 -6.394 -0.753 -4.185 368 HA GLN 43 HA GLN 43 -8.489 0.983 -3.397 369 HB2 GLN 43 1HB GLN 43 -8.482 -1.495 -3.101 370 HB3 GLN 43 2HB GLN 43 -7.291 -1.290 -1.816 371 HG2 GLN 43 1HG GLN 43 -8.861 -0.036 -0.492 372 HG3 GLN 43 2HG GLN 43 -10.043 -0.059 -1.799 373 HE21 GLN 43 1HE2 GLN 43 -8.501 -1.881 0.706 374 HE22 GLN 43 2HE2 GLN 43 -9.586 -3.224 0.680 375 H PHE 44 H PHE 44 -5.300 0.334 -1.964 376 HA PHE 44 HA PHE 44 -5.780 1.753 0.445 377 HB2 PHE 44 1HB PHE 44 -3.980 0.027 0.071 378 HB3 PHE 44 2HB PHE 44 -3.095 1.231 -0.856 379 HD1 PHE 44 HD1 PHE 44 -4.504 0.530 2.495 380 HD2 PHE 44 HD2 PHE 44 -1.684 2.747 0.211 381 HE1 PHE 44 HE1 PHE 44 -3.446 1.314 4.573 382 HE2 PHE 44 HE2 PHE 44 -0.620 3.541 2.285 383 HZ PHE 44 HZ PHE 44 -1.502 2.820 4.469 384 H PHE 45 H PHE 45 -4.809 2.722 -2.732 385 HA PHE 45 HA PHE 45 -3.997 5.361 -1.854 386 HB2 PHE 45 1HB PHE 45 -4.146 4.025 -4.550 387 HB3 PHE 45 2HB PHE 45 -3.820 5.744 -4.386 388 HD1 PHE 45 HD1 PHE 45 -2.586 2.474 -3.059 389 HD2 PHE 45 HD2 PHE 45 -1.638 6.427 -4.318 390 HE1 PHE 45 HE1 PHE 45 -0.193 1.986 -2.767 391 HE2 PHE 45 HE2 PHE 45 0.759 5.947 -4.027 392 HZ PHE 45 HZ PHE 45 1.484 3.725 -3.251 393 H GLU 46 H GLU 46 -6.513 4.023 -4.016 394 HA GLU 46 HA GLU 46 -7.811 6.457 -4.511 395 HB2 GLU 46 1HB GLU 46 -8.916 3.647 -4.543 396 HB3 GLU 46 2HB GLU 46 -9.756 5.052 -5.185 397 HG2 GLU 46 1HG GLU 46 -7.144 3.927 -6.168 398 HG3 GLU 46 2HG GLU 46 -8.708 3.798 -6.958 399 H GLU 47 H GLU 47 -8.389 4.007 -2.040 400 HA GLU 47 HA GLU 47 -10.408 5.752 -0.799 401 HB2 GLU 47 1HB GLU 47 -11.024 3.383 -1.485 402 HB3 GLU 47 2HB GLU 47 -9.904 2.819 -0.252 403 HG2 GLU 47 1HG GLU 47 -11.235 4.023 1.447 404 HG3 GLU 47 2HG GLU 47 -12.390 4.458 0.188 405 H PHE 48 H PHE 48 -7.741 6.441 -0.505 406 HA PHE 48 HA PHE 48 -6.564 5.304 1.821 407 HB2 PHE 48 1HB PHE 48 -5.292 6.497 0.033 408 HB3 PHE 48 2HB PHE 48 -5.943 8.003 0.605 409 HD1 PHE 48 HD1 PHE 48 -4.209 5.006 1.999 410 HD2 PHE 48 HD2 PHE 48 -4.642 9.243 2.014 411 HE1 PHE 48 HE1 PHE 48 -2.394 5.185 3.652 412 HE2 PHE 48 HE2 PHE 48 -2.827 9.426 3.663 413 HZ PHE 48 HZ PHE 48 -1.698 7.397 4.484 414 H GLU 49 H GLU 49 -7.476 8.713 1.466 415 HA GLU 49 HA GLU 49 -8.623 8.627 4.136 416 HB2 GLU 49 1HB GLU 49 -6.414 9.285 4.558 417 HB3 GLU 49 2HB GLU 49 -6.349 10.288 3.115 418 HG2 GLU 49 1HG GLU 49 -6.485 11.788 4.870 419 HG3 GLU 49 2HG GLU 49 -8.111 11.698 4.195 420 H GLN 50 H GLN 50 -7.841 11.041 1.604 421 HA GLN 50 HA GLN 50 -10.579 12.093 1.940 422 HB2 GLN 50 1HB GLN 50 -9.637 14.355 1.653 423 HB3 GLN 50 2HB GLN 50 -8.975 13.537 3.065 424 HG2 GLN 50 1HG GLN 50 -6.948 13.013 1.836 425 HG3 GLN 50 2HG GLN 50 -7.610 13.770 0.387 426 HE21 GLN 50 1HE2 GLN 50 -8.020 15.004 3.635 427 HE22 GLN 50 2HE2 GLN 50 -7.058 16.424 3.416 428 H ARG 51 H ARG 51 -8.948 10.427 -0.175 429 HA ARG 51 HA ARG 51 -8.887 12.150 -2.466 430 HB2 ARG 51 1HB ARG 51 -8.581 9.156 -2.238 431 HB3 ARG 51 2HB ARG 51 -8.345 10.071 -3.720 432 HG2 ARG 51 1HG ARG 51 -6.558 11.361 -2.524 433 HG3 ARG 51 2HG ARG 51 -6.722 10.211 -1.194 434 HD2 ARG 51 1HD ARG 51 -6.207 8.378 -2.733 435 HD3 ARG 51 2HD ARG 51 -6.025 9.538 -4.046 436 HE ARG 51 HE ARG 51 -4.312 9.904 -1.722 437 HH11 ARG 51 1HH1 ARG 51 -4.688 8.729 -5.000 438 HH12 ARG 51 2HH1 ARG 51 -2.976 8.622 -5.284 439 HH21 ARG 51 1HH2 ARG 51 -2.060 9.721 -2.083 440 HH22 ARG 51 2HH2 ARG 51 -1.479 9.210 -3.646 441 H LYS 52 H LYS 52 -10.308 12.346 -4.085 442 HA LYS 52 HA LYS 52 -12.574 10.530 -4.288 443 HB2 LYS 52 1HB LYS 52 -12.727 13.209 -3.271 444 HB3 LYS 52 2HB LYS 52 -13.535 13.161 -4.827 445 HG2 LYS 52 1HG LYS 52 -14.161 11.237 -2.602 446 HG3 LYS 52 2HG LYS 52 -14.976 12.786 -2.798 447 HD2 LYS 52 1HD LYS 52 -14.933 10.547 -4.831 448 HD3 LYS 52 2HD LYS 52 -16.284 10.980 -3.787 449 HE2 LYS 52 1HE LYS 52 -16.375 13.194 -4.835 450 HE3 LYS 52 2HE LYS 52 -15.044 12.742 -5.900 451 HZ1 LYS 52 3HZ LYS 52 -16.461 10.934 -6.762 452 HZ2 LYS 52 1HZ LYS 52 -17.114 12.474 -7.047 453 HZ3 LYS 52 2HZ LYS 52 -17.743 11.504 -5.811 Start of MODEL 19 1 H1 MET 1 1H MET 1 -13.029 -9.250 1.882 2 H2 MET 1 2H MET 1 -14.452 -9.236 2.797 3 H3 MET 1 3H MET 1 -13.483 -10.626 2.767 4 HA MET 1 HA MET 1 -12.795 -7.993 3.930 5 HB2 MET 1 1HB MET 1 -12.763 -9.211 6.084 6 HB3 MET 1 2HB MET 1 -14.347 -9.301 5.323 7 HG2 MET 1 1HG MET 1 -13.833 -11.558 4.532 8 HG3 MET 1 2HG MET 1 -12.259 -11.470 5.319 9 HE1 MET 1 3HE MET 1 -14.413 -13.809 5.808 10 HE2 MET 1 1HE MET 1 -14.275 -14.004 7.556 11 HE3 MET 1 2HE MET 1 -12.828 -13.762 6.580 12 H LYS 2 H LYS 2 -11.526 -10.647 2.267 13 HA LYS 2 HA LYS 2 -8.914 -10.252 3.542 14 HB2 LYS 2 1HB LYS 2 -8.151 -12.251 2.568 15 HB3 LYS 2 2HB LYS 2 -9.791 -12.613 3.074 16 HG2 LYS 2 1HG LYS 2 -9.071 -11.844 0.259 17 HG3 LYS 2 2HG LYS 2 -9.087 -13.509 0.836 18 HD2 LYS 2 1HD LYS 2 -11.451 -13.316 1.381 19 HD3 LYS 2 2HD LYS 2 -11.446 -11.626 0.875 20 HE2 LYS 2 1HE LYS 2 -12.368 -13.085 -0.864 21 HE3 LYS 2 2HE LYS 2 -10.893 -12.283 -1.397 22 HZ1 LYS 2 3HZ LYS 2 -10.997 -15.064 -0.353 23 HZ2 LYS 2 1HZ LYS 2 -9.655 -14.288 -1.047 24 HZ3 LYS 2 2HZ LYS 2 -11.006 -14.662 -2.001 25 H GLN 3 H GLN 3 -7.349 -9.097 2.568 26 HA GLN 3 HA GLN 3 -7.752 -8.291 -0.229 27 HB2 GLN 3 1HB GLN 3 -7.327 -6.306 2.014 28 HB3 GLN 3 2HB GLN 3 -7.507 -5.929 0.306 29 HG2 GLN 3 1HG GLN 3 -9.796 -6.574 0.327 30 HG3 GLN 3 2HG GLN 3 -9.650 -7.250 1.949 31 HE21 GLN 3 1HE2 GLN 3 -11.475 -5.223 0.958 32 HE22 GLN 3 2HE2 GLN 3 -11.197 -3.810 1.931 33 H TRP 4 H TRP 4 -5.744 -7.065 2.389 34 HA TRP 4 HA TRP 4 -3.349 -7.675 0.827 35 HB2 TRP 4 1HB TRP 4 -2.415 -6.319 2.973 36 HB3 TRP 4 2HB TRP 4 -2.971 -5.535 1.503 37 HD1 TRP 4 HD1 TRP 4 -4.469 -3.549 2.024 38 HE1 TRP 4 HE1 TRP 4 -6.220 -2.942 3.815 39 HE3 TRP 4 HE3 TRP 4 -4.217 -7.782 4.868 40 HZ2 TRP 4 HZ2 TRP 4 -7.329 -4.108 6.134 41 HZ3 TRP 4 HZ3 TRP 4 -5.647 -7.952 6.858 42 HH2 TRP 4 HH2 TRP 4 -7.170 -6.150 7.479 43 H SER 5 H SER 5 -1.415 -8.168 2.386 44 HA SER 5 HA SER 5 -2.172 -10.281 4.219 45 HB2 SER 5 1HB SER 5 -0.136 -10.539 2.816 46 HB3 SER 5 2HB SER 5 0.569 -9.130 3.608 47 HG SER 5 HG SER 5 0.031 -11.697 4.655 48 H GLU 6 H GLU 6 -2.581 -9.893 6.292 49 HA GLU 6 HA GLU 6 -3.069 -7.473 7.395 50 HB2 GLU 6 1HB GLU 6 -3.733 -9.623 8.353 51 HB3 GLU 6 2HB GLU 6 -2.077 -9.919 8.857 52 HG2 GLU 6 1HG GLU 6 -2.167 -8.083 10.403 53 HG3 GLU 6 2HG GLU 6 -3.772 -7.630 9.823 54 H ASN 7 H ASN 7 0.007 -9.233 7.802 55 HA ASN 7 HA ASN 7 1.266 -7.304 9.411 56 HB2 ASN 7 1HB ASN 7 2.194 -9.515 9.313 57 HB3 ASN 7 2HB ASN 7 2.406 -9.409 7.569 58 HD21 ASN 7 1HD2 ASN 7 4.175 -8.372 6.743 59 HD22 ASN 7 2HD2 ASN 7 5.488 -7.804 7.713 60 H VAL 8 H VAL 8 0.881 -7.519 5.968 61 HA VAL 8 HA VAL 8 2.905 -5.605 5.324 62 HB VAL 8 HB VAL 8 0.565 -6.541 3.651 63 HG11 VAL 8 1HG1 VAL 8 2.023 -5.813 1.766 64 HG12 VAL 8 2HG1 VAL 8 3.085 -5.048 2.946 65 HG13 VAL 8 3HG1 VAL 8 1.418 -4.501 2.768 66 HG21 VAL 8 3HG2 VAL 8 2.017 -8.387 4.349 67 HG22 VAL 8 1HG2 VAL 8 3.421 -7.521 3.727 68 HG23 VAL 8 2HG2 VAL 8 2.163 -8.070 2.619 69 H GLU 9 H GLU 9 -0.541 -5.503 5.986 70 HA GLU 9 HA GLU 9 -1.196 -2.981 5.014 71 HB2 GLU 9 1HB GLU 9 -2.647 -4.843 6.142 72 HB3 GLU 9 2HB GLU 9 -2.280 -3.989 7.631 73 HG2 GLU 9 1HG GLU 9 -3.556 -2.695 5.237 74 HG3 GLU 9 2HG GLU 9 -4.464 -3.424 6.558 75 H GLU 10 H GLU 10 -0.012 -3.904 8.225 76 HA GLU 10 HA GLU 10 0.221 -1.412 9.399 77 HB2 GLU 10 1HB GLU 10 0.615 -3.221 10.819 78 HB3 GLU 10 2HB GLU 10 1.746 -3.982 9.705 79 HG2 GLU 10 1HG GLU 10 3.348 -2.145 10.163 80 HG3 GLU 10 2HG GLU 10 2.229 -1.524 11.379 81 H LYS 11 H LYS 11 2.671 -3.167 7.519 82 HA LYS 11 HA LYS 11 4.592 -1.083 7.965 83 HB2 LYS 11 1HB LYS 11 4.797 -3.725 7.656 84 HB3 LYS 11 2HB LYS 11 5.137 -3.230 6.005 85 HG2 LYS 11 1HG LYS 11 7.112 -2.261 6.547 86 HG3 LYS 11 2HG LYS 11 6.566 -1.794 8.157 87 HD2 LYS 11 1HD LYS 11 7.321 -4.583 7.281 88 HD3 LYS 11 2HD LYS 11 8.307 -3.507 8.272 89 HE2 LYS 11 1HE LYS 11 5.657 -4.758 8.998 90 HE3 LYS 11 2HE LYS 11 7.228 -5.068 9.726 91 HZ1 LYS 11 3HZ LYS 11 5.570 -3.518 10.910 92 HZ2 LYS 11 1HZ LYS 11 6.085 -2.348 9.795 93 HZ3 LYS 11 2HZ LYS 11 7.205 -3.068 10.850 94 H LEU 12 H LEU 12 2.302 -1.813 5.505 95 HA LEU 12 HA LEU 12 3.548 -0.432 3.364 96 HB2 LEU 12 1HB LEU 12 1.592 -2.010 3.183 97 HB3 LEU 12 2HB LEU 12 0.585 -0.739 3.844 98 HG LEU 12 HG LEU 12 1.184 0.695 1.907 99 HD11 LEU 12 1HD1 LEU 12 2.244 -0.341 -0.038 100 HD12 LEU 12 2HD1 LEU 12 2.505 -1.817 0.889 101 HD13 LEU 12 3HD1 LEU 12 3.328 -0.327 1.352 102 HD21 LEU 12 3HD2 LEU 12 -0.876 -0.607 1.906 103 HD22 LEU 12 1HD2 LEU 12 -0.014 -1.984 1.221 104 HD23 LEU 12 2HD2 LEU 12 -0.194 -0.501 0.282 105 H LYS 13 H LYS 13 1.225 0.524 5.856 106 HA LYS 13 HA LYS 13 0.898 3.212 5.253 107 HB2 LYS 13 1HB LYS 13 -0.371 2.198 7.016 108 HB3 LYS 13 2HB LYS 13 1.081 1.783 7.900 109 HG2 LYS 13 1HG LYS 13 1.488 4.213 8.185 110 HG3 LYS 13 2HG LYS 13 -0.084 4.516 7.462 111 HD2 LYS 13 1HD LYS 13 -0.247 4.562 9.891 112 HD3 LYS 13 2HD LYS 13 -1.149 3.194 9.238 113 HE2 LYS 13 1HE LYS 13 0.758 1.716 9.782 114 HE3 LYS 13 2HE LYS 13 1.605 3.095 10.483 115 HZ1 LYS 13 3HZ LYS 13 -0.109 3.307 12.128 116 HZ2 LYS 13 1HZ LYS 13 0.484 1.717 12.143 117 HZ3 LYS 13 2HZ LYS 13 -1.011 2.054 11.421 118 H GLU 14 H GLU 14 3.425 1.620 7.104 119 HA GLU 14 HA GLU 14 4.856 3.956 7.791 120 HB2 GLU 14 1HB GLU 14 5.951 1.154 7.473 121 HB3 GLU 14 2HB GLU 14 6.635 2.453 8.442 122 HG2 GLU 14 1HG GLU 14 4.634 2.407 9.873 123 HG3 GLU 14 2HG GLU 14 4.014 1.055 8.928 124 H PHE 15 H PHE 15 5.177 1.650 5.119 125 HA PHE 15 HA PHE 15 7.553 2.819 4.095 126 HB2 PHE 15 1HB PHE 15 6.913 0.445 3.816 127 HB3 PHE 15 2HB PHE 15 5.602 0.948 2.759 128 HD1 PHE 15 HD1 PHE 15 9.289 1.336 3.116 129 HD2 PHE 15 HD2 PHE 15 5.974 0.900 0.485 130 HE1 PHE 15 HE1 PHE 15 10.828 1.220 1.200 131 HE2 PHE 15 HE2 PHE 15 7.506 0.785 -1.434 132 HZ PHE 15 HZ PHE 15 9.939 0.946 -1.078 133 H VAL 16 H VAL 16 4.137 3.325 3.464 134 HA VAL 16 HA VAL 16 4.630 4.822 1.052 135 HB VAL 16 HB VAL 16 2.108 4.476 2.686 136 HG11 VAL 16 1HG1 VAL 16 2.108 6.645 1.518 137 HG12 VAL 16 2HG1 VAL 16 0.909 5.531 0.859 138 HG13 VAL 16 3HG1 VAL 16 2.421 5.809 -0.004 139 HG21 VAL 16 3HG2 VAL 16 2.948 3.359 0.010 140 HG22 VAL 16 1HG2 VAL 16 1.394 3.090 0.798 141 HG23 VAL 16 2HG2 VAL 16 2.873 2.464 1.528 142 H LYS 17 H LYS 17 3.620 5.695 4.383 143 HA LYS 17 HA LYS 17 3.798 8.500 3.577 144 HB2 LYS 17 1HB LYS 17 1.784 7.746 4.793 145 HB3 LYS 17 2HB LYS 17 2.792 7.333 6.174 146 HG2 LYS 17 1HG LYS 17 1.792 9.430 6.631 147 HG3 LYS 17 2HG LYS 17 3.493 9.732 6.272 148 HD2 LYS 17 1HD LYS 17 2.856 10.337 3.948 149 HD3 LYS 17 2HD LYS 17 1.161 10.122 4.385 150 HE2 LYS 17 1HE LYS 17 1.488 11.885 6.144 151 HE3 LYS 17 2HE LYS 17 3.092 12.173 5.470 152 HZ1 LYS 17 3HZ LYS 17 0.500 12.498 4.061 153 HZ2 LYS 17 1HZ LYS 17 2.019 12.683 3.332 154 HZ3 LYS 17 2HZ LYS 17 1.535 13.741 4.563 155 H ARG 18 H ARG 18 5.122 6.367 6.116 156 HA ARG 18 HA ARG 18 6.617 8.438 7.361 157 HB2 ARG 18 1HB ARG 18 6.937 5.436 7.535 158 HB3 ARG 18 2HB ARG 18 7.753 6.594 8.579 159 HG2 ARG 18 1HG ARG 18 5.622 7.342 9.460 160 HG3 ARG 18 2HG ARG 18 4.765 6.249 8.372 161 HD2 ARG 18 1HD ARG 18 4.887 5.275 10.584 162 HD3 ARG 18 2HD ARG 18 5.871 4.336 9.462 163 HE ARG 18 HE ARG 18 7.675 6.032 10.527 164 HH11 ARG 18 1HH1 ARG 18 5.316 3.869 11.967 165 HH12 ARG 18 2HH1 ARG 18 6.227 3.652 13.425 166 HH21 ARG 18 1HH2 ARG 18 8.864 5.738 12.445 167 HH22 ARG 18 2HH2 ARG 18 8.231 4.715 13.701 168 H HIS 19 H HIS 19 7.350 6.113 4.842 169 HA HIS 19 HA HIS 19 10.162 6.803 4.797 170 HB2 HIS 19 1HB HIS 19 8.440 4.996 3.105 171 HB3 HIS 19 2HB HIS 19 10.110 5.348 2.680 172 HD1 HIS 19 HD1 HIS 19 11.512 3.414 3.335 173 HD2 HIS 19 HD2 HIS 19 8.524 4.186 6.118 174 HE1 HIS 19 HE1 HIS 19 11.815 1.725 5.197 175 H GLN 20 H GLN 20 8.653 9.055 4.503 176 HA GLN 20 HA GLN 20 8.308 10.924 3.276 177 HB2 GLN 20 1HB GLN 20 10.217 11.693 1.999 178 HB3 GLN 20 2HB GLN 20 10.734 10.937 3.496 179 HG2 GLN 20 1HG GLN 20 11.412 8.960 2.324 180 HG3 GLN 20 2HG GLN 20 10.733 9.583 0.825 181 HE21 GLN 20 1HE2 GLN 20 12.707 9.390 -0.217 182 HE22 GLN 20 2HE2 GLN 20 14.012 10.489 0.077 183 H ARG 21 H ARG 21 7.062 8.522 2.134 184 HA ARG 21 HA ARG 21 5.794 7.953 0.363 185 HB2 ARG 21 1HB ARG 21 6.540 10.713 -0.575 186 HB3 ARG 21 2HB ARG 21 5.540 9.638 -1.538 187 HG2 ARG 21 1HG ARG 21 3.952 9.526 0.386 188 HG3 ARG 21 2HG ARG 21 4.921 10.773 1.176 189 HD2 ARG 21 1HD ARG 21 3.018 11.766 0.025 190 HD3 ARG 21 2HD ARG 21 4.534 12.275 -0.715 191 HE ARG 21 HE ARG 21 2.772 10.196 -1.853 192 HH11 ARG 21 1HH1 ARG 21 4.984 12.884 -2.220 193 HH12 ARG 21 2HH1 ARG 21 4.874 12.908 -3.955 194 HH21 ARG 21 1HH2 ARG 21 2.632 10.211 -4.145 195 HH22 ARG 21 2HH2 ARG 21 3.557 11.371 -5.049 196 H ILE 22 H ILE 22 5.902 7.062 -1.682 197 HA ILE 22 HA ILE 22 8.417 7.160 -3.132 198 HB ILE 22 HB ILE 22 8.740 5.317 -1.541 199 HG12 ILE 22 1HG1 ILE 22 8.227 4.237 -4.318 200 HG13 ILE 22 2HG1 ILE 22 9.661 5.148 -3.851 201 HG21 ILE 22 1HG2 ILE 22 6.216 4.190 -2.733 202 HG22 ILE 22 2HG2 ILE 22 6.466 4.716 -1.068 203 HG23 ILE 22 3HG2 ILE 22 7.314 3.298 -1.682 204 HD11 ILE 22 3HD1 ILE 22 8.802 2.502 -2.709 205 HD12 ILE 22 1HD1 ILE 22 10.248 3.404 -2.255 206 HD13 ILE 22 2HD1 ILE 22 10.088 2.756 -3.889 207 H THR 23 H THR 23 8.174 6.499 -5.321 208 HA THR 23 HA THR 23 5.657 7.136 -6.411 209 HB THR 23 HB THR 23 6.723 6.383 -8.586 210 HG1 THR 23 HG1 THR 23 8.884 5.805 -8.527 211 HG21 THR 23 3HG2 THR 23 8.208 8.379 -6.870 212 HG22 THR 23 1HG2 THR 23 6.784 8.708 -7.856 213 HG23 THR 23 2HG2 THR 23 8.310 8.273 -8.627 214 H GLN 24 H GLN 24 4.219 5.869 -7.602 215 HA GLN 24 HA GLN 24 3.489 3.431 -6.441 216 HB2 GLN 24 1HB GLN 24 1.910 4.929 -7.581 217 HB3 GLN 24 2HB GLN 24 2.692 4.593 -9.118 218 HG2 GLN 24 1HG GLN 24 2.018 2.260 -8.968 219 HG3 GLN 24 2HG GLN 24 1.249 2.576 -7.413 220 HE21 GLN 24 1HE2 GLN 24 1.176 4.836 -10.059 221 HE22 GLN 24 2HE2 GLN 24 -0.508 4.684 -10.408 222 H GLU 25 H GLU 25 5.586 4.188 -9.078 223 HA GLU 25 HA GLU 25 5.790 1.804 -10.470 224 HB2 GLU 25 1HB GLU 25 6.944 3.898 -11.068 225 HB3 GLU 25 2HB GLU 25 8.004 3.711 -9.680 226 HG2 GLU 25 1HG GLU 25 8.833 1.592 -10.684 227 HG3 GLU 25 2HG GLU 25 7.873 1.957 -12.119 228 H GLU 26 H GLU 26 7.966 2.811 -7.832 229 HA GLU 26 HA GLU 26 9.029 0.179 -7.530 230 HB2 GLU 26 1HB GLU 26 9.996 2.605 -6.958 231 HB3 GLU 26 2HB GLU 26 9.344 2.204 -5.375 232 HG2 GLU 26 1HG GLU 26 11.661 1.604 -5.460 233 HG3 GLU 26 2HG GLU 26 10.685 0.136 -5.381 234 H LEU 27 H LEU 27 6.531 2.061 -5.991 235 HA LEU 27 HA LEU 27 6.141 0.567 -3.657 236 HB2 LEU 27 1HB LEU 27 5.098 2.806 -4.345 237 HB3 LEU 27 2HB LEU 27 3.937 1.867 -5.255 238 HG LEU 27 HG LEU 27 3.147 2.677 -3.008 239 HD11 LEU 27 1HD1 LEU 27 2.082 0.789 -4.168 240 HD12 LEU 27 2HD1 LEU 27 2.006 0.640 -2.413 241 HD13 LEU 27 3HD1 LEU 27 3.169 -0.317 -3.333 242 HD21 LEU 27 3HD2 LEU 27 5.210 2.372 -1.767 243 HD22 LEU 27 1HD2 LEU 27 5.124 0.628 -2.016 244 HD23 LEU 27 2HD2 LEU 27 3.907 1.439 -1.030 245 H HIS 28 H HIS 28 4.815 0.164 -6.930 246 HA HIS 28 HA HIS 28 3.041 -1.917 -6.264 247 HB2 HIS 28 1HB HIS 28 2.938 -0.593 -8.389 248 HB3 HIS 28 2HB HIS 28 4.346 -1.489 -8.958 249 HD1 HIS 28 HD1 HIS 28 3.954 -4.190 -9.090 250 HD2 HIS 28 HD2 HIS 28 0.569 -1.794 -8.873 251 HE1 HIS 28 HE1 HIS 28 2.008 -5.666 -9.685 252 H GLN 29 H GLN 29 6.399 -1.978 -7.450 253 HA GLN 29 HA GLN 29 6.629 -4.772 -7.642 254 HB2 GLN 29 1HB GLN 29 8.329 -3.199 -8.511 255 HB3 GLN 29 2HB GLN 29 8.786 -2.803 -6.857 256 HG2 GLN 29 1HG GLN 29 9.291 -5.253 -6.545 257 HG3 GLN 29 2HG GLN 29 9.110 -5.419 -8.291 258 HE21 GLN 29 1HE2 GLN 29 11.025 -4.128 -5.715 259 HE22 GLN 29 2HE2 GLN 29 12.413 -3.741 -6.673 260 H TYR 30 H TYR 30 7.006 -2.567 -4.945 261 HA TYR 30 HA TYR 30 7.935 -4.477 -3.062 262 HB2 TYR 30 1HB TYR 30 8.069 -1.911 -2.978 263 HB3 TYR 30 2HB TYR 30 6.407 -1.958 -2.406 264 HD1 TYR 30 HD1 TYR 30 9.812 -3.251 -1.636 265 HD2 TYR 30 HD2 TYR 30 5.975 -2.202 -0.124 266 HE1 TYR 30 HE1 TYR 30 10.639 -3.560 0.655 267 HE2 TYR 30 HE2 TYR 30 6.793 -2.505 2.177 268 HH TYR 30 HH TYR 30 10.083 -2.745 2.932 269 H ALA 31 H ALA 31 4.827 -3.689 -4.352 270 HA ALA 31 HA ALA 31 3.290 -4.732 -2.158 271 HB1 ALA 31 3HB ALA 31 2.359 -3.012 -3.609 272 HB2 ALA 31 1HB ALA 31 1.376 -4.476 -3.685 273 HB3 ALA 31 2HB ALA 31 2.487 -4.090 -4.999 274 H GLN 32 H GLN 32 4.216 -5.847 -5.387 275 HA GLN 32 HA GLN 32 2.920 -8.360 -5.232 276 HB2 GLN 32 1HB GLN 32 5.297 -7.461 -6.871 277 HB3 GLN 32 2HB GLN 32 4.491 -9.008 -7.073 278 HG2 GLN 32 1HG GLN 32 3.136 -6.346 -7.404 279 HG3 GLN 32 2HG GLN 32 3.837 -7.281 -8.723 280 HE21 GLN 32 1HE2 GLN 32 1.235 -7.042 -6.448 281 HE22 GLN 32 2HE2 GLN 32 0.225 -8.246 -7.173 282 H ARG 33 H ARG 33 6.025 -7.191 -4.119 283 HA ARG 33 HA ARG 33 7.221 -9.697 -3.661 284 HB2 ARG 33 1HB ARG 33 8.431 -7.508 -3.682 285 HB3 ARG 33 2HB ARG 33 7.690 -7.127 -2.135 286 HG2 ARG 33 1HG ARG 33 9.798 -7.883 -1.548 287 HG3 ARG 33 2HG ARG 33 8.782 -9.306 -1.311 288 HD2 ARG 33 1HD ARG 33 9.454 -10.049 -3.618 289 HD3 ARG 33 2HD ARG 33 10.596 -8.713 -3.645 290 HE ARG 33 HE ARG 33 11.416 -9.896 -1.462 291 HH11 ARG 33 1HH1 ARG 33 10.386 -11.345 -4.487 292 HH12 ARG 33 2HH1 ARG 33 11.332 -12.785 -4.269 293 HH21 ARG 33 1HH2 ARG 33 12.711 -11.774 -1.197 294 HH22 ARG 33 2HH2 ARG 33 12.673 -13.022 -2.415 295 H LEU 34 H LEU 34 5.461 -7.528 -1.436 296 HA LEU 34 HA LEU 34 5.706 -9.382 0.733 297 HB2 LEU 34 1HB LEU 34 4.089 -6.857 0.441 298 HB3 LEU 34 2HB LEU 34 4.207 -7.785 1.923 299 HG LEU 34 HG LEU 34 6.472 -6.364 0.524 300 HD11 LEU 34 1HD1 LEU 34 4.940 -4.874 1.704 301 HD12 LEU 34 2HD1 LEU 34 6.502 -4.964 2.517 302 HD13 LEU 34 3HD1 LEU 34 5.118 -5.842 3.167 303 HD21 LEU 34 3HD2 LEU 34 7.841 -7.047 2.426 304 HD22 LEU 34 1HD2 LEU 34 7.241 -8.447 1.537 305 HD23 LEU 34 2HD2 LEU 34 6.492 -7.986 3.066 306 H GLY 35 H GLY 35 3.267 -8.713 -1.688 307 HA2 GLY 35 1HA GLY 35 1.875 -10.698 -2.172 308 HA3 GLY 35 2HA GLY 35 1.638 -10.850 -0.441 309 H LEU 36 H LEU 36 1.487 -7.926 -2.427 310 HA LEU 36 HA LEU 36 -1.263 -7.569 -1.476 311 HB2 LEU 36 1HB LEU 36 0.567 -5.552 -2.772 312 HB3 LEU 36 2HB LEU 36 -1.018 -5.238 -2.089 313 HG LEU 36 HG LEU 36 1.407 -6.122 -0.530 314 HD11 LEU 36 1HD1 LEU 36 1.612 -3.834 -1.329 315 HD12 LEU 36 2HD1 LEU 36 1.338 -3.866 0.411 316 HD13 LEU 36 3HD1 LEU 36 0.016 -3.452 -0.680 317 HD21 LEU 36 3HD2 LEU 36 0.024 -5.710 1.432 318 HD22 LEU 36 1HD2 LEU 36 -0.694 -6.951 0.406 319 HD23 LEU 36 2HD2 LEU 36 -1.346 -5.313 0.394 320 H ASN 37 H ASN 37 -2.914 -7.655 -2.806 321 HA ASN 37 HA ASN 37 -2.452 -7.725 -5.692 322 HB2 ASN 37 1HB ASN 37 -4.927 -8.340 -5.762 323 HB3 ASN 37 2HB ASN 37 -3.849 -9.529 -5.046 324 HD21 ASN 37 1HD2 ASN 37 -4.795 -6.633 -3.314 325 HD22 ASN 37 2HD2 ASN 37 -5.806 -7.442 -2.162 326 H GLU 38 H GLU 38 -4.004 -6.450 -7.054 327 HA GLU 38 HA GLU 38 -3.597 -3.759 -6.502 328 HB2 GLU 38 1HB GLU 38 -5.649 -4.911 -8.394 329 HB3 GLU 38 2HB GLU 38 -4.999 -3.278 -8.435 330 HG2 GLU 38 1HG GLU 38 -3.643 -4.163 -9.992 331 HG3 GLU 38 2HG GLU 38 -2.710 -4.664 -8.582 332 H GLU 39 H GLU 39 -6.313 -5.764 -5.613 333 HA GLU 39 HA GLU 39 -8.277 -3.896 -5.043 334 HB2 GLU 39 1HB GLU 39 -8.665 -6.273 -4.803 335 HB3 GLU 39 2HB GLU 39 -7.477 -6.377 -3.514 336 HG2 GLU 39 1HG GLU 39 -9.620 -6.458 -2.515 337 HG3 GLU 39 2HG GLU 39 -8.933 -4.875 -2.158 338 H ALA 40 H ALA 40 -5.643 -4.999 -2.946 339 HA ALA 40 HA ALA 40 -6.310 -3.159 -0.854 340 HB1 ALA 40 3HB ALA 40 -4.345 -4.000 0.276 341 HB2 ALA 40 1HB ALA 40 -3.792 -4.782 -1.205 342 HB3 ALA 40 2HB ALA 40 -5.259 -5.346 -0.404 343 H ILE 41 H ILE 41 -4.089 -3.239 -3.546 344 HA ILE 41 HA ILE 41 -2.427 -1.105 -2.775 345 HB ILE 41 HB ILE 41 -3.124 -1.999 -5.578 346 HG12 ILE 41 1HG1 ILE 41 -0.818 -2.814 -3.792 347 HG13 ILE 41 2HG1 ILE 41 -2.229 -3.808 -4.136 348 HG21 ILE 41 1HG2 ILE 41 -0.746 -0.444 -4.562 349 HG22 ILE 41 2HG2 ILE 41 -2.083 0.221 -5.500 350 HG23 ILE 41 3HG2 ILE 41 -1.007 -0.975 -6.222 351 HD11 ILE 41 3HD1 ILE 41 -1.610 -3.885 -6.486 352 HD12 ILE 41 1HD1 ILE 41 -0.309 -4.486 -5.459 353 HD13 ILE 41 2HD1 ILE 41 -0.205 -2.870 -6.158 354 H ARG 42 H ARG 42 -5.265 -1.182 -4.931 355 HA ARG 42 HA ARG 42 -5.301 1.639 -5.302 356 HB2 ARG 42 1HB ARG 42 -7.317 -0.520 -5.857 357 HB3 ARG 42 2HB ARG 42 -7.638 1.176 -6.187 358 HG2 ARG 42 1HG ARG 42 -5.738 1.265 -7.673 359 HG3 ARG 42 2HG ARG 42 -5.400 -0.443 -7.370 360 HD2 ARG 42 1HD ARG 42 -6.616 -0.154 -9.464 361 HD3 ARG 42 2HD ARG 42 -7.603 -1.018 -8.283 362 HE ARG 42 HE ARG 42 -7.915 1.884 -8.734 363 HH11 ARG 42 1HH1 ARG 42 -9.249 -1.355 -8.591 364 HH12 ARG 42 2HH1 ARG 42 -10.900 -0.810 -8.643 365 HH21 ARG 42 1HH2 ARG 42 -10.081 2.606 -8.814 366 HH22 ARG 42 2HH2 ARG 42 -11.377 1.439 -8.770 367 H GLN 43 H GLN 43 -6.711 -0.520 -2.959 368 HA GLN 43 HA GLN 43 -8.569 1.315 -1.862 369 HB2 GLN 43 1HB GLN 43 -8.606 -1.130 -1.419 370 HB3 GLN 43 2HB GLN 43 -7.142 -0.953 -0.462 371 HG2 GLN 43 1HG GLN 43 -8.400 0.621 1.018 372 HG3 GLN 43 2HG GLN 43 -9.858 0.194 0.124 373 HE21 GLN 43 1HE2 GLN 43 -7.306 -2.073 0.786 374 HE22 GLN 43 2HE2 GLN 43 -8.194 -3.051 1.907 375 H PHE 44 H PHE 44 -5.145 1.123 -1.722 376 HA PHE 44 HA PHE 44 -5.001 2.694 0.714 377 HB2 PHE 44 1HB PHE 44 -3.313 0.845 -0.375 378 HB3 PHE 44 2HB PHE 44 -2.534 2.356 -0.843 379 HD1 PHE 44 HD1 PHE 44 -3.740 0.376 2.013 380 HD2 PHE 44 HD2 PHE 44 -1.415 3.706 0.747 381 HE1 PHE 44 HE1 PHE 44 -2.817 0.581 4.282 382 HE2 PHE 44 HE2 PHE 44 -0.490 3.927 3.019 383 HZ PHE 44 HZ PHE 44 -1.197 2.359 4.790 384 H PHE 45 H PHE 45 -4.550 3.135 -2.756 385 HA PHE 45 HA PHE 45 -3.852 5.937 -2.351 386 HB2 PHE 45 1HB PHE 45 -4.043 4.284 -4.873 387 HB3 PHE 45 2HB PHE 45 -3.604 5.987 -4.835 388 HD1 PHE 45 HD1 PHE 45 -1.650 6.475 -3.036 389 HD2 PHE 45 HD2 PHE 45 -2.330 2.801 -5.067 390 HE1 PHE 45 HE1 PHE 45 0.709 5.865 -2.710 391 HE2 PHE 45 HE2 PHE 45 0.026 2.182 -4.742 392 HZ PHE 45 HZ PHE 45 1.551 3.714 -3.565 393 H GLU 46 H GLU 46 -6.173 4.218 -4.441 394 HA GLU 46 HA GLU 46 -7.696 6.578 -4.912 395 HB2 GLU 46 1HB GLU 46 -8.107 3.669 -5.568 396 HB3 GLU 46 2HB GLU 46 -9.319 4.885 -5.953 397 HG2 GLU 46 1HG GLU 46 -7.660 6.070 -7.319 398 HG3 GLU 46 2HG GLU 46 -6.481 4.811 -6.951 399 H GLU 47 H GLU 47 -8.485 3.536 -3.229 400 HA GLU 47 HA GLU 47 -10.873 4.811 -2.142 401 HB2 GLU 47 1HB GLU 47 -9.969 1.936 -1.983 402 HB3 GLU 47 2HB GLU 47 -11.536 2.558 -1.482 403 HG2 GLU 47 1HG GLU 47 -11.947 3.270 -3.817 404 HG3 GLU 47 2HG GLU 47 -10.428 2.506 -4.275 405 H PHE 48 H PHE 48 -8.408 5.723 -1.156 406 HA PHE 48 HA PHE 48 -7.377 4.544 1.114 407 HB2 PHE 48 1HB PHE 48 -6.428 6.520 -0.049 408 HB3 PHE 48 2HB PHE 48 -7.709 7.513 0.631 409 HD1 PHE 48 HD1 PHE 48 -5.217 5.028 1.896 410 HD2 PHE 48 HD2 PHE 48 -7.077 8.822 2.390 411 HE1 PHE 48 HE1 PHE 48 -3.808 5.455 3.870 412 HE2 PHE 48 HE2 PHE 48 -5.673 9.257 4.359 413 HZ PHE 48 HZ PHE 48 -4.039 7.574 5.104 414 H GLU 49 H GLU 49 -9.630 7.303 1.272 415 HA GLU 49 HA GLU 49 -11.569 6.156 2.880 416 HB2 GLU 49 1HB GLU 49 -11.090 7.072 5.114 417 HB3 GLU 49 2HB GLU 49 -9.864 5.913 4.621 418 HG2 GLU 49 1HG GLU 49 -8.288 7.626 4.189 419 HG3 GLU 49 2HG GLU 49 -9.515 8.883 4.337 420 H GLN 50 H GLN 50 -9.758 9.001 2.002 421 HA GLN 50 HA GLN 50 -12.117 10.686 2.487 422 HB2 GLN 50 1HB GLN 50 -10.556 12.539 2.751 423 HB3 GLN 50 2HB GLN 50 -10.125 11.221 3.833 424 HG2 GLN 50 1HG GLN 50 -8.379 10.510 2.287 425 HG3 GLN 50 2HG GLN 50 -8.800 11.838 1.207 426 HE21 GLN 50 1HE2 GLN 50 -8.816 12.125 4.678 427 HE22 GLN 50 2HE2 GLN 50 -7.448 13.174 4.794 428 H ARG 51 H ARG 51 -11.151 9.034 0.074 429 HA ARG 51 HA ARG 51 -11.242 11.194 -1.882 430 HB2 ARG 51 1HB ARG 51 -8.957 10.655 -1.809 431 HB3 ARG 51 2HB ARG 51 -9.278 8.935 -1.645 432 HG2 ARG 51 1HG ARG 51 -10.042 8.832 -3.921 433 HG3 ARG 51 2HG ARG 51 -9.794 10.570 -4.107 434 HD2 ARG 51 1HD ARG 51 -7.409 10.282 -3.687 435 HD3 ARG 51 2HD ARG 51 -7.648 8.551 -3.458 436 HE ARG 51 HE ARG 51 -8.499 8.669 -5.887 437 HH11 ARG 51 1HH1 ARG 51 -5.984 10.701 -4.556 438 HH12 ARG 51 2HH1 ARG 51 -5.106 10.832 -6.052 439 HH21 ARG 51 1HH2 ARG 51 -7.349 8.810 -7.851 440 HH22 ARG 51 2HH2 ARG 51 -5.873 9.724 -7.928 441 H LYS 52 H LYS 52 -13.238 10.869 -2.639 442 HA LYS 52 HA LYS 52 -14.938 9.997 -3.846 443 HB2 LYS 52 1HB LYS 52 -12.812 8.202 -5.032 444 HB3 LYS 52 2HB LYS 52 -14.334 8.668 -5.777 445 HG2 LYS 52 1HG LYS 52 -12.257 10.706 -5.047 446 HG3 LYS 52 2HG LYS 52 -12.190 9.819 -6.568 447 HD2 LYS 52 1HD LYS 52 -14.366 10.682 -7.206 448 HD3 LYS 52 2HD LYS 52 -14.531 11.495 -5.651 449 HE2 LYS 52 1HE LYS 52 -13.861 13.043 -7.429 450 HE3 LYS 52 2HE LYS 52 -12.649 12.929 -6.155 451 HZ1 LYS 52 3HZ LYS 52 -12.491 11.372 -8.674 452 HZ2 LYS 52 1HZ LYS 52 -11.272 11.601 -7.517 453 HZ3 LYS 52 2HZ LYS 52 -11.778 12.900 -8.486 Start of MODEL 20 1 H1 MET 1 1H MET 1 -10.618 -13.012 6.012 2 H2 MET 1 2H MET 1 -9.715 -14.345 5.487 3 H3 MET 1 3H MET 1 -11.317 -14.560 5.998 4 HA MET 1 HA MET 1 -11.185 -14.653 3.616 5 HB2 MET 1 1HB MET 1 -13.229 -13.739 4.572 6 HB3 MET 1 2HB MET 1 -12.493 -12.148 4.697 7 HG2 MET 1 1HG MET 1 -14.036 -12.275 2.823 8 HG3 MET 1 2HG MET 1 -12.386 -11.981 2.279 9 HE1 MET 1 3HE MET 1 -13.736 -14.092 -0.678 10 HE2 MET 1 1HE MET 1 -12.915 -12.614 -0.179 11 HE3 MET 1 2HE MET 1 -14.610 -12.861 0.237 12 H LYS 2 H LYS 2 -10.650 -11.204 4.445 13 HA LYS 2 HA LYS 2 -8.420 -11.141 2.590 14 HB2 LYS 2 1HB LYS 2 -9.410 -9.264 1.275 15 HB3 LYS 2 2HB LYS 2 -10.232 -10.803 1.034 16 HG2 LYS 2 1HG LYS 2 -11.945 -10.037 2.701 17 HG3 LYS 2 2HG LYS 2 -11.173 -8.451 2.664 18 HD2 LYS 2 1HD LYS 2 -12.313 -9.888 0.270 19 HD3 LYS 2 2HD LYS 2 -13.126 -8.604 1.162 20 HE2 LYS 2 1HE LYS 2 -10.448 -8.285 -0.174 21 HE3 LYS 2 2HE LYS 2 -11.979 -7.885 -0.946 22 HZ1 LYS 2 3HZ LYS 2 -10.940 -5.933 0.015 23 HZ2 LYS 2 1HZ LYS 2 -10.927 -6.658 1.551 24 HZ3 LYS 2 2HZ LYS 2 -12.399 -6.276 0.807 25 H GLN 3 H GLN 3 -6.927 -10.218 3.779 26 HA GLN 3 HA GLN 3 -7.254 -7.427 4.352 27 HB2 GLN 3 1HB GLN 3 -6.395 -9.383 6.512 28 HB3 GLN 3 2HB GLN 3 -6.065 -7.658 6.574 29 HG2 GLN 3 1HG GLN 3 -8.667 -7.482 6.266 30 HG3 GLN 3 2HG GLN 3 -8.628 -9.117 6.927 31 HE21 GLN 3 1HE2 GLN 3 -6.368 -6.556 7.730 32 HE22 GLN 3 2HE2 GLN 3 -6.871 -6.383 9.378 33 H TRP 4 H TRP 4 -5.002 -6.510 4.537 34 HA TRP 4 HA TRP 4 -3.489 -7.927 2.535 35 HB2 TRP 4 1HB TRP 4 -2.648 -5.395 3.905 36 HB3 TRP 4 2HB TRP 4 -2.226 -5.945 2.290 37 HD1 TRP 4 HD1 TRP 4 -3.628 -3.103 3.023 38 HE1 TRP 4 HE1 TRP 4 -5.845 -2.472 1.885 39 HE3 TRP 4 HE3 TRP 4 -5.051 -7.735 1.581 40 HZ2 TRP 4 HZ2 TRP 4 -7.940 -3.816 0.525 41 HZ3 TRP 4 HZ3 TRP 4 -7.183 -8.012 0.358 42 HH2 TRP 4 HH2 TRP 4 -8.593 -6.086 -0.157 43 H SER 5 H SER 5 -1.536 -8.896 2.914 44 HA SER 5 HA SER 5 -1.421 -10.579 4.974 45 HB2 SER 5 1HB SER 5 1.095 -9.297 3.885 46 HB3 SER 5 2HB SER 5 0.936 -10.912 4.573 47 HG SER 5 HG SER 5 0.913 -10.644 2.165 48 H GLU 6 H GLU 6 -1.486 -10.350 7.080 49 HA GLU 6 HA GLU 6 -1.656 -8.232 8.624 50 HB2 GLU 6 1HB GLU 6 -1.794 -10.489 9.490 51 HB3 GLU 6 2HB GLU 6 -0.050 -10.666 9.382 52 HG2 GLU 6 1HG GLU 6 0.269 -9.003 11.099 53 HG3 GLU 6 2HG GLU 6 -1.468 -8.693 11.159 54 H ASN 7 H ASN 7 1.611 -9.390 7.731 55 HA ASN 7 HA ASN 7 2.867 -7.323 9.298 56 HB2 ASN 7 1HB ASN 7 4.973 -8.171 8.389 57 HB3 ASN 7 2HB ASN 7 3.964 -9.485 8.981 58 HD21 ASN 7 1HD2 ASN 7 6.156 -9.321 6.949 59 HD22 ASN 7 2HD2 ASN 7 5.485 -10.074 5.535 60 H VAL 8 H VAL 8 1.480 -7.444 6.218 61 HA VAL 8 HA VAL 8 3.309 -5.487 5.040 62 HB VAL 8 HB VAL 8 0.952 -6.956 3.847 63 HG11 VAL 8 1HG1 VAL 8 1.306 -4.868 2.720 64 HG12 VAL 8 2HG1 VAL 8 1.860 -6.192 1.698 65 HG13 VAL 8 3HG1 VAL 8 3.033 -5.202 2.569 66 HG21 VAL 8 3HG2 VAL 8 2.754 -8.486 4.399 67 HG22 VAL 8 1HG2 VAL 8 3.912 -7.453 3.562 68 HG23 VAL 8 2HG2 VAL 8 2.644 -8.272 2.652 69 H GLU 9 H GLU 9 -0.104 -5.995 5.819 70 HA GLU 9 HA GLU 9 -1.188 -3.579 5.015 71 HB2 GLU 9 1HB GLU 9 -2.345 -5.636 6.000 72 HB3 GLU 9 2HB GLU 9 -1.924 -4.992 7.579 73 HG2 GLU 9 1HG GLU 9 -3.214 -2.970 7.097 74 HG3 GLU 9 2HG GLU 9 -3.648 -3.628 5.519 75 H GLU 10 H GLU 10 0.490 -4.431 7.969 76 HA GLU 10 HA GLU 10 0.245 -1.985 9.327 77 HB2 GLU 10 1HB GLU 10 0.842 -3.870 10.598 78 HB3 GLU 10 2HB GLU 10 2.143 -4.307 9.501 79 HG2 GLU 10 1HG GLU 10 3.495 -2.505 10.267 80 HG3 GLU 10 2HG GLU 10 2.165 -1.840 11.218 81 H LYS 11 H LYS 11 3.061 -3.313 7.550 82 HA LYS 11 HA LYS 11 4.547 -0.921 7.909 83 HB2 LYS 11 1HB LYS 11 5.635 -3.099 7.693 84 HB3 LYS 11 2HB LYS 11 5.056 -3.233 6.034 85 HG2 LYS 11 1HG LYS 11 6.366 -1.232 5.440 86 HG3 LYS 11 2HG LYS 11 6.983 -1.169 7.090 87 HD2 LYS 11 1HD LYS 11 7.359 -3.488 5.198 88 HD3 LYS 11 2HD LYS 11 8.550 -2.220 5.484 89 HE2 LYS 11 1HE LYS 11 8.542 -2.849 7.894 90 HE3 LYS 11 2HE LYS 11 7.486 -4.203 7.487 91 HZ1 LYS 11 3HZ LYS 11 10.261 -3.748 6.535 92 HZ2 LYS 11 1HZ LYS 11 9.248 -4.972 5.944 93 HZ3 LYS 11 2HZ LYS 11 9.726 -4.982 7.572 94 H LEU 12 H LEU 12 2.402 -2.047 5.387 95 HA LEU 12 HA LEU 12 3.322 -0.364 3.316 96 HB2 LEU 12 1HB LEU 12 1.713 -2.330 3.136 97 HB3 LEU 12 2HB LEU 12 0.463 -1.230 3.684 98 HG LEU 12 HG LEU 12 0.898 0.214 1.730 99 HD11 LEU 12 1HD1 LEU 12 2.808 -1.992 0.964 100 HD12 LEU 12 2HD1 LEU 12 3.218 -0.314 1.324 101 HD13 LEU 12 3HD1 LEU 12 2.270 -0.703 -0.113 102 HD21 LEU 12 3HD2 LEU 12 0.290 -2.674 1.108 103 HD22 LEU 12 1HD2 LEU 12 -0.064 -1.306 0.054 104 HD23 LEU 12 2HD2 LEU 12 -0.864 -1.442 1.619 105 H LYS 13 H LYS 13 0.776 0.062 5.745 106 HA LYS 13 HA LYS 13 -0.050 2.647 5.251 107 HB2 LYS 13 1HB LYS 13 -1.135 1.599 7.025 108 HB3 LYS 13 2HB LYS 13 0.365 1.032 7.740 109 HG2 LYS 13 1HG LYS 13 0.831 3.487 8.272 110 HG3 LYS 13 2HG LYS 13 -0.877 3.755 7.907 111 HD2 LYS 13 1HD LYS 13 -1.571 2.292 9.637 112 HD3 LYS 13 2HD LYS 13 0.063 1.665 9.858 113 HE2 LYS 13 1HE LYS 13 -0.427 3.160 11.673 114 HE3 LYS 13 2HE LYS 13 0.766 3.932 10.630 115 HZ1 LYS 13 3HZ LYS 13 -2.155 4.485 10.542 116 HZ2 LYS 13 1HZ LYS 13 -0.943 5.304 9.683 117 HZ3 LYS 13 2HZ LYS 13 -1.019 5.430 11.371 118 H GLU 14 H GLU 14 2.815 1.529 6.945 119 HA GLU 14 HA GLU 14 3.685 4.152 7.644 120 HB2 GLU 14 1HB GLU 14 5.278 1.592 7.648 121 HB3 GLU 14 2HB GLU 14 5.611 3.056 8.570 122 HG2 GLU 14 1HG GLU 14 3.506 2.748 9.784 123 HG3 GLU 14 2HG GLU 14 3.228 1.247 8.896 124 H PHE 15 H PHE 15 4.298 2.006 4.948 125 HA PHE 15 HA PHE 15 6.659 3.445 4.124 126 HB2 PHE 15 1HB PHE 15 6.309 0.969 3.878 127 HB3 PHE 15 2HB PHE 15 5.107 1.325 2.649 128 HD1 PHE 15 HD1 PHE 15 8.435 2.866 3.268 129 HD2 PHE 15 HD2 PHE 15 6.010 0.537 0.660 130 HE1 PHE 15 HE1 PHE 15 10.232 2.885 1.587 131 HE2 PHE 15 HE2 PHE 15 7.799 0.553 -1.023 132 HZ PHE 15 HZ PHE 15 9.916 1.728 -0.564 133 H VAL 16 H VAL 16 3.263 3.607 3.534 134 HA VAL 16 HA VAL 16 3.624 5.184 1.121 135 HB VAL 16 HB VAL 16 1.094 4.449 2.605 136 HG11 VAL 16 1HG1 VAL 16 -0.086 5.275 0.601 137 HG12 VAL 16 2HG1 VAL 16 1.446 5.877 -0.032 138 HG13 VAL 16 3HG1 VAL 16 0.777 6.557 1.451 139 HG21 VAL 16 3HG2 VAL 16 0.695 2.960 0.705 140 HG22 VAL 16 1HG2 VAL 16 2.196 2.552 1.537 141 HG23 VAL 16 2HG2 VAL 16 2.246 3.430 0.009 142 H LYS 17 H LYS 17 2.057 5.765 4.313 143 HA LYS 17 HA LYS 17 2.193 8.613 3.685 144 HB2 LYS 17 1HB LYS 17 0.603 8.909 5.557 145 HB3 LYS 17 2HB LYS 17 0.002 7.920 4.237 146 HG2 LYS 17 1HG LYS 17 1.155 6.107 5.978 147 HG3 LYS 17 2HG LYS 17 0.345 7.274 7.023 148 HD2 LYS 17 1HD LYS 17 -0.891 5.843 4.688 149 HD3 LYS 17 2HD LYS 17 -1.133 5.419 6.385 150 HE2 LYS 17 1HE LYS 17 -1.926 7.992 5.030 151 HE3 LYS 17 2HE LYS 17 -3.012 6.707 5.549 152 HZ1 LYS 17 3HZ LYS 17 -2.986 8.564 7.096 153 HZ2 LYS 17 1HZ LYS 17 -1.322 8.360 7.346 154 HZ3 LYS 17 2HZ LYS 17 -2.405 7.149 7.837 155 H ARG 18 H ARG 18 3.226 6.343 6.186 156 HA ARG 18 HA ARG 18 4.248 8.354 7.921 157 HB2 ARG 18 1HB ARG 18 3.661 6.008 8.621 158 HB3 ARG 18 2HB ARG 18 5.121 5.462 7.808 159 HG2 ARG 18 1HG ARG 18 6.494 6.758 9.299 160 HG3 ARG 18 2HG ARG 18 5.065 7.453 10.060 161 HD2 ARG 18 1HD ARG 18 4.411 5.117 10.743 162 HD3 ARG 18 2HD ARG 18 5.992 4.582 10.165 163 HE ARG 18 HE ARG 18 6.273 6.770 11.954 164 HH11 ARG 18 1HH1 ARG 18 5.702 3.295 11.900 165 HH12 ARG 18 2HH1 ARG 18 6.193 3.084 13.554 166 HH21 ARG 18 1HH2 ARG 18 6.978 6.459 14.096 167 HH22 ARG 18 2HH2 ARG 18 6.947 4.857 14.787 168 H HIS 19 H HIS 19 5.507 6.749 5.118 169 HA HIS 19 HA HIS 19 8.149 7.944 5.465 170 HB2 HIS 19 1HB HIS 19 6.943 6.053 3.462 171 HB3 HIS 19 2HB HIS 19 8.407 6.937 3.055 172 HD1 HIS 19 HD1 HIS 19 7.189 4.535 5.767 173 HD2 HIS 19 HD2 HIS 19 10.668 5.752 3.850 174 HE1 HIS 19 HE1 HIS 19 9.029 3.018 6.608 175 H GLN 20 H GLN 20 8.698 8.622 2.785 176 HA GLN 20 HA GLN 20 7.052 11.036 2.563 177 HB2 GLN 20 1HB GLN 20 9.742 10.366 1.364 178 HB3 GLN 20 2HB GLN 20 8.878 11.873 1.089 179 HG2 GLN 20 1HG GLN 20 8.907 12.182 3.603 180 HG3 GLN 20 2HG GLN 20 10.059 10.849 3.650 181 HE21 GLN 20 1HE2 GLN 20 12.124 11.141 2.806 182 HE22 GLN 20 2HE2 GLN 20 12.757 12.722 2.466 183 H ARG 21 H ARG 21 5.907 8.643 1.735 184 HA ARG 21 HA ARG 21 4.568 7.856 0.095 185 HB2 ARG 21 1HB ARG 21 5.410 10.346 -1.402 186 HB3 ARG 21 2HB ARG 21 4.099 9.277 -1.876 187 HG2 ARG 21 1HG ARG 21 2.833 9.840 0.059 188 HG3 ARG 21 2HG ARG 21 4.192 10.729 0.753 189 HD2 ARG 21 1HD ARG 21 2.607 12.291 -0.179 190 HD3 ARG 21 2HD ARG 21 4.083 12.309 -1.139 191 HE ARG 21 HE ARG 21 1.604 10.935 -1.958 192 HH11 ARG 21 1HH1 ARG 21 4.544 12.682 -2.728 193 HH12 ARG 21 2HH1 ARG 21 4.153 12.835 -4.418 194 HH21 ARG 21 1HH2 ARG 21 1.093 11.145 -4.182 195 HH22 ARG 21 2HH2 ARG 21 2.205 11.973 -5.234 196 H ILE 22 H ILE 22 4.636 7.346 -2.448 197 HA ILE 22 HA ILE 22 7.261 6.711 -3.417 198 HB ILE 22 HB ILE 22 7.105 4.989 -1.730 199 HG12 ILE 22 1HG1 ILE 22 6.544 3.833 -4.471 200 HG13 ILE 22 2HG1 ILE 22 8.122 4.333 -3.868 201 HG21 ILE 22 1HG2 ILE 22 4.470 4.243 -2.992 202 HG22 ILE 22 2HG2 ILE 22 4.708 4.957 -1.397 203 HG23 ILE 22 3HG2 ILE 22 5.294 3.327 -1.728 204 HD11 ILE 22 3HD1 ILE 22 6.431 2.102 -2.769 205 HD12 ILE 22 1HD1 ILE 22 8.010 2.595 -2.162 206 HD13 ILE 22 2HD1 ILE 22 7.860 1.927 -3.786 207 H THR 23 H THR 23 7.248 5.959 -5.548 208 HA THR 23 HA THR 23 4.856 6.435 -7.058 209 HB THR 23 HB THR 23 6.347 5.612 -8.976 210 HG1 THR 23 HG1 THR 23 8.555 5.457 -8.489 211 HG21 THR 23 3HG2 THR 23 7.658 7.708 -8.981 212 HG22 THR 23 1HG2 THR 23 7.189 7.977 -7.301 213 HG23 THR 23 2HG2 THR 23 5.962 7.966 -8.570 214 H GLN 24 H GLN 24 3.893 4.861 -8.518 215 HA GLN 24 HA GLN 24 3.261 2.475 -7.133 216 HB2 GLN 24 1HB GLN 24 2.584 3.389 -9.896 217 HB3 GLN 24 2HB GLN 24 1.925 1.936 -9.169 218 HG2 GLN 24 1HG GLN 24 0.922 3.282 -7.397 219 HG3 GLN 24 2HG GLN 24 1.589 4.741 -8.125 220 HE21 GLN 24 1HE2 GLN 24 -0.791 2.221 -8.416 221 HE22 GLN 24 2HE2 GLN 24 -1.762 3.000 -9.618 222 H GLU 25 H GLU 25 5.624 3.231 -9.516 223 HA GLU 25 HA GLU 25 6.103 0.740 -10.664 224 HB2 GLU 25 1HB GLU 25 7.163 2.870 -11.358 225 HB3 GLU 25 2HB GLU 25 8.142 2.839 -9.897 226 HG2 GLU 25 1HG GLU 25 9.406 2.078 -11.819 227 HG3 GLU 25 2HG GLU 25 9.203 0.776 -10.646 228 H GLU 26 H GLU 26 7.803 2.165 -7.872 229 HA GLU 26 HA GLU 26 9.048 -0.307 -7.182 230 HB2 GLU 26 1HB GLU 26 10.121 1.811 -6.630 231 HB3 GLU 26 2HB GLU 26 8.757 2.269 -5.622 232 HG2 GLU 26 1HG GLU 26 9.274 0.595 -4.019 233 HG3 GLU 26 2HG GLU 26 10.474 -0.137 -5.082 234 H LEU 27 H LEU 27 6.126 1.353 -6.264 235 HA LEU 27 HA LEU 27 5.492 -0.074 -3.936 236 HB2 LEU 27 1HB LEU 27 4.393 2.022 -5.071 237 HB3 LEU 27 2HB LEU 27 3.388 0.832 -5.869 238 HG LEU 27 HG LEU 27 2.382 1.885 -3.821 239 HD11 LEU 27 1HD1 LEU 27 1.478 -0.196 -2.910 240 HD12 LEU 27 2HD1 LEU 27 2.744 -1.106 -3.731 241 HD13 LEU 27 3HD1 LEU 27 1.536 -0.234 -4.673 242 HD21 LEU 27 3HD2 LEU 27 4.470 1.953 -2.498 243 HD22 LEU 27 1HD2 LEU 27 4.419 0.197 -2.371 244 HD23 LEU 27 2HD2 LEU 27 3.143 1.172 -1.637 245 H HIS 28 H HIS 28 4.865 -0.758 -7.356 246 HA HIS 28 HA HIS 28 3.192 -2.979 -6.896 247 HB2 HIS 28 1HB HIS 28 3.167 -1.891 -9.058 248 HB3 HIS 28 2HB HIS 28 4.866 -2.293 -9.319 249 HD1 HIS 28 HD1 HIS 28 5.416 -4.831 -9.785 250 HD2 HIS 28 HD2 HIS 28 1.372 -3.911 -9.601 251 HE1 HIS 28 HE1 HIS 28 4.194 -6.899 -10.514 252 H GLN 29 H GLN 29 6.704 -2.828 -7.633 253 HA GLN 29 HA GLN 29 7.000 -5.641 -7.631 254 HB2 GLN 29 1HB GLN 29 9.408 -5.256 -7.491 255 HB3 GLN 29 2HB GLN 29 8.668 -4.201 -8.681 256 HG2 GLN 29 1HG GLN 29 10.108 -2.762 -7.663 257 HG3 GLN 29 2HG GLN 29 8.650 -2.481 -6.719 258 HE21 GLN 29 1HE2 GLN 29 10.529 -5.391 -6.355 259 HE22 GLN 29 2HE2 GLN 29 11.175 -5.014 -4.793 260 H TYR 30 H TYR 30 6.988 -3.249 -5.141 261 HA TYR 30 HA TYR 30 7.939 -4.889 -3.018 262 HB2 TYR 30 1HB TYR 30 7.744 -2.308 -3.203 263 HB3 TYR 30 2HB TYR 30 6.069 -2.551 -2.729 264 HD1 TYR 30 HD1 TYR 30 9.450 -3.683 -1.597 265 HD2 TYR 30 HD2 TYR 30 5.613 -2.217 -0.504 266 HE1 TYR 30 HE1 TYR 30 10.153 -3.634 0.757 267 HE2 TYR 30 HE2 TYR 30 6.299 -2.165 1.861 268 HH TYR 30 HH TYR 30 9.514 -2.402 2.850 269 H ALA 31 H ALA 31 4.974 -4.642 -4.740 270 HA ALA 31 HA ALA 31 3.269 -5.482 -2.568 271 HB1 ALA 31 3HB ALA 31 2.432 -3.992 -4.341 272 HB2 ALA 31 1HB ALA 31 1.486 -5.477 -4.225 273 HB3 ALA 31 2HB ALA 31 2.667 -5.284 -5.521 274 H GLN 32 H GLN 32 4.695 -6.916 -5.447 275 HA GLN 32 HA GLN 32 3.255 -9.391 -5.101 276 HB2 GLN 32 1HB GLN 32 5.563 -8.841 -6.972 277 HB3 GLN 32 2HB GLN 32 4.406 -10.157 -7.077 278 HG2 GLN 32 1HG GLN 32 3.885 -7.229 -7.551 279 HG3 GLN 32 2HG GLN 32 3.873 -8.530 -8.737 280 HE21 GLN 32 1HE2 GLN 32 1.815 -6.625 -8.132 281 HE22 GLN 32 2HE2 GLN 32 0.414 -7.530 -7.672 282 H ARG 33 H ARG 33 6.183 -8.028 -4.012 283 HA ARG 33 HA ARG 33 7.488 -10.528 -3.434 284 HB2 ARG 33 1HB ARG 33 8.751 -8.446 -3.876 285 HB3 ARG 33 2HB ARG 33 8.107 -7.771 -2.385 286 HG2 ARG 33 1HG ARG 33 10.322 -8.575 -1.965 287 HG3 ARG 33 2HG ARG 33 9.161 -9.616 -1.142 288 HD2 ARG 33 1HD ARG 33 10.222 -10.311 -3.856 289 HD3 ARG 33 2HD ARG 33 11.096 -10.735 -2.385 290 HE ARG 33 HE ARG 33 8.680 -11.734 -1.856 291 HH11 ARG 33 1HH1 ARG 33 10.645 -11.954 -4.750 292 HH12 ARG 33 2HH1 ARG 33 10.052 -13.532 -5.183 293 HH21 ARG 33 1HH2 ARG 33 7.878 -13.792 -2.433 294 HH22 ARG 33 2HH2 ARG 33 8.468 -14.570 -3.870 295 H LEU 34 H LEU 34 5.563 -8.171 -1.636 296 HA LEU 34 HA LEU 34 5.945 -9.635 0.829 297 HB2 LEU 34 1HB LEU 34 4.339 -7.177 0.171 298 HB3 LEU 34 2HB LEU 34 4.429 -7.886 1.768 299 HG LEU 34 HG LEU 34 6.722 -6.691 0.220 300 HD11 LEU 34 1HD1 LEU 34 6.720 -4.997 1.932 301 HD12 LEU 34 2HD1 LEU 34 5.389 -5.797 2.765 302 HD13 LEU 34 3HD1 LEU 34 5.128 -5.079 1.177 303 HD21 LEU 34 3HD2 LEU 34 6.684 -7.951 2.959 304 HD22 LEU 34 1HD2 LEU 34 8.045 -7.086 2.240 305 HD23 LEU 34 2HD2 LEU 34 7.482 -8.598 1.526 306 H GLY 35 H GLY 35 3.395 -9.145 -1.559 307 HA2 GLY 35 1HA GLY 35 1.928 -11.121 -1.830 308 HA3 GLY 35 2HA GLY 35 1.819 -11.161 -0.078 309 H LEU 36 H LEU 36 1.611 -8.320 -2.195 310 HA LEU 36 HA LEU 36 -0.957 -7.688 -0.986 311 HB2 LEU 36 1HB LEU 36 0.738 -6.171 -2.959 312 HB3 LEU 36 2HB LEU 36 -0.826 -5.627 -2.380 313 HG LEU 36 HG LEU 36 1.595 -6.081 -0.640 314 HD11 LEU 36 1HD1 LEU 36 0.297 -3.517 -1.555 315 HD12 LEU 36 2HD1 LEU 36 1.832 -4.153 -2.144 316 HD13 LEU 36 3HD1 LEU 36 1.673 -3.661 -0.459 317 HD21 LEU 36 3HD2 LEU 36 -0.550 -6.485 0.493 318 HD22 LEU 36 1HD2 LEU 36 -1.107 -4.890 -0.013 319 HD23 LEU 36 2HD2 LEU 36 0.252 -5.035 1.101 320 H ASN 37 H ASN 37 -2.843 -8.047 -1.880 321 HA ASN 37 HA ASN 37 -3.105 -8.908 -4.607 322 HB2 ASN 37 1HB ASN 37 -5.502 -8.868 -4.228 323 HB3 ASN 37 2HB ASN 37 -4.698 -9.664 -2.886 324 HD21 ASN 37 1HD2 ASN 37 -3.878 -6.919 -1.816 325 HD22 ASN 37 2HD2 ASN 37 -5.317 -6.417 -0.989 326 H GLU 38 H GLU 38 -4.512 -7.701 -6.155 327 HA GLU 38 HA GLU 38 -3.197 -5.244 -6.633 328 HB2 GLU 38 1HB GLU 38 -5.619 -6.419 -8.003 329 HB3 GLU 38 2HB GLU 38 -4.645 -5.087 -8.613 330 HG2 GLU 38 1HG GLU 38 -3.640 -7.880 -8.111 331 HG3 GLU 38 2HG GLU 38 -4.093 -7.228 -9.684 332 H GLU 39 H GLU 39 -6.130 -6.016 -5.003 333 HA GLU 39 HA GLU 39 -7.466 -3.569 -5.110 334 HB2 GLU 39 1HB GLU 39 -8.571 -5.472 -4.166 335 HB3 GLU 39 2HB GLU 39 -7.305 -5.681 -2.965 336 HG2 GLU 39 1HG GLU 39 -8.028 -3.863 -1.691 337 HG3 GLU 39 2HG GLU 39 -8.986 -3.200 -3.024 338 H ALA 40 H ALA 40 -5.251 -4.782 -2.620 339 HA ALA 40 HA ALA 40 -5.101 -2.492 -1.054 340 HB1 ALA 40 3HB ALA 40 -4.270 -4.671 -0.341 341 HB2 ALA 40 1HB ALA 40 -3.027 -3.430 -0.171 342 HB3 ALA 40 2HB ALA 40 -2.964 -4.564 -1.522 343 H ILE 41 H ILE 41 -3.223 -3.460 -3.856 344 HA ILE 41 HA ILE 41 -1.099 -1.701 -3.623 345 HB ILE 41 HB ILE 41 -2.324 -2.735 -6.187 346 HG12 ILE 41 1HG1 ILE 41 -0.117 -3.861 -4.448 347 HG13 ILE 41 2HG1 ILE 41 -1.739 -4.527 -4.609 348 HG21 ILE 41 1HG2 ILE 41 -0.809 -0.887 -6.620 349 HG22 ILE 41 2HG2 ILE 41 -0.068 -2.404 -7.134 350 HG23 ILE 41 3HG2 ILE 41 0.434 -1.641 -5.625 351 HD11 ILE 41 3HD1 ILE 41 -1.315 -5.023 -6.947 352 HD12 ILE 41 1HD1 ILE 41 -0.102 -5.773 -5.907 353 HD13 ILE 41 2HD1 ILE 41 0.296 -4.315 -6.817 354 H ARG 42 H ARG 42 -4.209 -1.270 -5.264 355 HA ARG 42 HA ARG 42 -3.501 1.460 -5.978 356 HB2 ARG 42 1HB ARG 42 -4.661 0.191 -7.671 357 HB3 ARG 42 2HB ARG 42 -5.971 -0.180 -6.556 358 HG2 ARG 42 1HG ARG 42 -6.433 2.276 -6.432 359 HG3 ARG 42 2HG ARG 42 -5.253 2.488 -7.723 360 HD2 ARG 42 1HD ARG 42 -6.565 1.234 -9.247 361 HD3 ARG 42 2HD ARG 42 -7.640 0.680 -7.962 362 HE ARG 42 HE ARG 42 -7.768 3.448 -7.963 363 HH11 ARG 42 1HH1 ARG 42 -8.512 0.876 -10.220 364 HH12 ARG 42 2HH1 ARG 42 -9.819 1.750 -10.964 365 HH21 ARG 42 1HH2 ARG 42 -9.469 4.572 -8.917 366 HH22 ARG 42 2HH2 ARG 42 -10.364 3.846 -10.226 367 H GLN 43 H GLN 43 -5.550 -0.270 -3.724 368 HA GLN 43 HA GLN 43 -7.413 1.714 -3.147 369 HB2 GLN 43 1HB GLN 43 -7.616 -0.661 -2.463 370 HB3 GLN 43 2HB GLN 43 -6.365 -0.392 -1.254 371 HG2 GLN 43 1HG GLN 43 -7.755 1.189 -0.091 372 HG3 GLN 43 2HG GLN 43 -8.990 1.072 -1.341 373 HE21 GLN 43 1HE2 GLN 43 -10.541 0.446 0.129 374 HE22 GLN 43 2HE2 GLN 43 -10.570 -1.150 0.816 375 H PHE 44 H PHE 44 -4.183 1.227 -1.833 376 HA PHE 44 HA PHE 44 -4.416 2.957 0.361 377 HB2 PHE 44 1HB PHE 44 -2.208 1.694 -1.156 378 HB3 PHE 44 2HB PHE 44 -1.796 3.067 -0.149 379 HD1 PHE 44 HD1 PHE 44 -3.736 -0.103 0.021 380 HD2 PHE 44 HD2 PHE 44 -1.226 2.664 2.055 381 HE1 PHE 44 HE1 PHE 44 -3.717 -1.572 1.989 382 HE2 PHE 44 HE2 PHE 44 -1.204 1.194 4.029 383 HZ PHE 44 HZ PHE 44 -2.455 -0.924 4.002 384 H PHE 45 H PHE 45 -3.661 3.552 -3.018 385 HA PHE 45 HA PHE 45 -3.107 6.358 -2.450 386 HB2 PHE 45 1HB PHE 45 -3.013 4.794 -5.036 387 HB3 PHE 45 2HB PHE 45 -2.628 6.506 -4.896 388 HD1 PHE 45 HD1 PHE 45 -0.602 7.237 -3.769 389 HD2 PHE 45 HD2 PHE 45 -1.496 3.107 -4.249 390 HE1 PHE 45 HE1 PHE 45 1.730 6.673 -3.225 391 HE2 PHE 45 HE2 PHE 45 0.833 2.535 -3.704 392 HZ PHE 45 HZ PHE 45 2.450 4.319 -3.190 393 H GLU 46 H GLU 46 -5.547 4.320 -3.858 394 HA GLU 46 HA GLU 46 -7.054 6.383 -5.098 395 HB2 GLU 46 1HB GLU 46 -7.237 4.030 -5.757 396 HB3 GLU 46 2HB GLU 46 -7.902 3.635 -4.182 397 HG2 GLU 46 1HG GLU 46 -9.674 3.773 -5.782 398 HG3 GLU 46 2HG GLU 46 -9.801 5.111 -4.640 399 H GLU 47 H GLU 47 -7.669 4.483 -2.154 400 HA GLU 47 HA GLU 47 -9.664 6.462 -1.338 401 HB2 GLU 47 1HB GLU 47 -9.050 3.728 -0.212 402 HB3 GLU 47 2HB GLU 47 -10.374 4.770 0.296 403 HG2 GLU 47 1HG GLU 47 -11.320 4.632 -1.965 404 HG3 GLU 47 2HG GLU 47 -10.015 3.540 -2.427 405 H PHE 48 H PHE 48 -7.004 7.252 -1.205 406 HA PHE 48 HA PHE 48 -5.895 6.925 1.391 407 HB2 PHE 48 1HB PHE 48 -4.746 7.698 -0.808 408 HB3 PHE 48 2HB PHE 48 -5.374 9.287 -0.393 409 HD1 PHE 48 HD1 PHE 48 -3.643 6.533 1.435 410 HD2 PHE 48 HD2 PHE 48 -3.839 10.682 0.533 411 HE1 PHE 48 HE1 PHE 48 -1.693 6.933 2.873 412 HE2 PHE 48 HE2 PHE 48 -1.887 11.089 1.970 413 HZ PHE 48 HZ PHE 48 -0.809 9.213 3.142 414 H GLU 49 H GLU 49 -5.515 8.913 2.795 415 HA GLU 49 HA GLU 49 -8.069 9.763 3.713 416 HB2 GLU 49 1HB GLU 49 -6.777 11.014 5.432 417 HB3 GLU 49 2HB GLU 49 -6.374 9.307 5.333 418 HG2 GLU 49 1HG GLU 49 -4.355 9.861 4.056 419 HG3 GLU 49 2HG GLU 49 -4.766 11.574 4.161 420 H GLN 50 H GLN 50 -6.169 10.945 1.295 421 HA GLN 50 HA GLN 50 -6.796 13.743 1.629 422 HB2 GLN 50 1HB GLN 50 -5.656 12.227 -0.731 423 HB3 GLN 50 2HB GLN 50 -5.775 13.977 -0.615 424 HG2 GLN 50 1HG GLN 50 -4.234 12.312 1.356 425 HG3 GLN 50 2HG GLN 50 -3.517 12.971 -0.116 426 HE21 GLN 50 1HE2 GLN 50 -5.049 15.425 -0.023 427 HE22 GLN 50 2HE2 GLN 50 -4.385 16.373 1.271 428 H ARG 51 H ARG 51 -8.464 11.016 0.689 429 HA ARG 51 HA ARG 51 -10.430 12.630 -0.802 430 HB2 ARG 51 1HB ARG 51 -9.605 9.769 -1.314 431 HB3 ARG 51 2HB ARG 51 -11.027 10.516 -2.027 432 HG2 ARG 51 1HG ARG 51 -9.596 12.160 -3.140 433 HG3 ARG 51 2HG ARG 51 -8.176 11.390 -2.427 434 HD2 ARG 51 1HD ARG 51 -8.683 9.322 -3.593 435 HD3 ARG 51 2HD ARG 51 -10.144 10.040 -4.270 436 HE ARG 51 HE ARG 51 -8.398 11.723 -5.242 437 HH11 ARG 51 1HH1 ARG 51 -8.028 8.257 -4.892 438 HH12 ARG 51 2HH1 ARG 51 -7.002 8.091 -6.290 439 HH21 ARG 51 1HH2 ARG 51 -7.050 11.520 -7.061 440 HH22 ARG 51 2HH2 ARG 51 -6.420 9.967 -7.513 441 H LYS 52 H LYS 52 -12.586 12.207 -0.377 442 HA LYS 52 HA LYS 52 -13.325 10.136 1.495 443 HB2 LYS 52 1HB LYS 52 -14.436 11.738 3.054 444 HB3 LYS 52 2HB LYS 52 -12.682 11.846 3.065 445 HG2 LYS 52 1HG LYS 52 -12.831 13.814 1.576 446 HG3 LYS 52 2HG LYS 52 -14.589 13.730 1.697 447 HD2 LYS 52 1HD LYS 52 -13.739 15.379 3.247 448 HD3 LYS 52 2HD LYS 52 -14.409 14.013 4.141 449 HE2 LYS 52 1HE LYS 52 -12.182 13.131 4.511 450 HE3 LYS 52 2HE LYS 52 -11.481 14.417 3.530 451 HZ1 LYS 52 3HZ LYS 52 -12.271 16.030 5.143 452 HZ2 LYS 52 1HZ LYS 52 -11.271 14.879 5.891 453 HZ3 LYS 52 2HZ LYS 52 -12.955 14.793 6.082 Start of MODEL 21 1 H1 MET 1 1H MET 1 -12.528 -9.078 2.928 2 H2 MET 1 2H MET 1 -12.484 -7.414 3.238 3 H3 MET 1 3H MET 1 -13.832 -8.322 3.706 4 HA MET 1 HA MET 1 -12.405 -7.765 5.580 5 HB2 MET 1 1HB MET 1 -13.767 -9.854 5.566 6 HB3 MET 1 2HB MET 1 -12.380 -10.719 4.920 7 HG2 MET 1 1HG MET 1 -12.557 -11.107 7.287 8 HG3 MET 1 2HG MET 1 -11.106 -10.167 6.947 9 HE1 MET 1 3HE MET 1 -10.835 -9.431 9.462 10 HE2 MET 1 1HE MET 1 -12.229 -10.433 9.865 11 HE3 MET 1 2HE MET 1 -12.150 -8.766 10.432 12 H LYS 2 H LYS 2 -10.704 -10.521 4.043 13 HA LYS 2 HA LYS 2 -8.189 -9.313 4.776 14 HB2 LYS 2 1HB LYS 2 -7.140 -11.309 3.766 15 HB3 LYS 2 2HB LYS 2 -8.359 -11.725 4.960 16 HG2 LYS 2 1HG LYS 2 -9.908 -12.361 3.266 17 HG3 LYS 2 2HG LYS 2 -8.866 -11.716 1.997 18 HD2 LYS 2 1HD LYS 2 -8.722 -14.165 2.137 19 HD3 LYS 2 2HD LYS 2 -7.177 -13.397 2.505 20 HE2 LYS 2 1HE LYS 2 -7.560 -15.177 4.075 21 HE3 LYS 2 2HE LYS 2 -7.684 -13.634 4.916 22 HZ1 LYS 2 3HZ LYS 2 -10.140 -13.821 4.639 23 HZ2 LYS 2 1HZ LYS 2 -9.456 -15.007 5.642 24 HZ3 LYS 2 2HZ LYS 2 -9.909 -15.396 4.055 25 H GLN 3 H GLN 3 -7.313 -7.763 3.636 26 HA GLN 3 HA GLN 3 -7.937 -7.669 0.748 27 HB2 GLN 3 1HB GLN 3 -7.276 -5.445 2.673 28 HB3 GLN 3 2HB GLN 3 -7.401 -5.224 0.932 29 HG2 GLN 3 1HG GLN 3 -9.744 -6.048 1.059 30 HG3 GLN 3 2HG GLN 3 -9.585 -6.076 2.814 31 HE21 GLN 3 1HE2 GLN 3 -8.047 -3.672 0.860 32 HE22 GLN 3 2HE2 GLN 3 -9.044 -2.343 1.341 33 H TRP 4 H TRP 4 -5.459 -8.275 2.892 34 HA TRP 4 HA TRP 4 -3.443 -8.612 1.040 35 HB2 TRP 4 1HB TRP 4 -1.908 -6.718 1.806 36 HB3 TRP 4 2HB TRP 4 -3.191 -6.279 0.695 37 HD1 TRP 4 HD1 TRP 4 -4.877 -6.486 3.911 38 HE1 TRP 4 HE1 TRP 4 -5.092 -4.180 5.013 39 HE3 TRP 4 HE3 TRP 4 -1.436 -3.948 1.112 40 HZ2 TRP 4 HZ2 TRP 4 -3.934 -1.619 4.737 41 HZ3 TRP 4 HZ3 TRP 4 -1.047 -1.573 1.604 42 HH2 TRP 4 HH2 TRP 4 -2.271 -0.434 3.381 43 H SER 5 H SER 5 -1.306 -8.955 2.190 44 HA SER 5 HA SER 5 -1.622 -10.532 4.463 45 HB2 SER 5 1HB SER 5 0.881 -9.108 3.528 46 HB3 SER 5 2HB SER 5 0.823 -10.494 4.615 47 HG SER 5 HG SER 5 1.246 -11.225 2.545 48 H GLU 6 H GLU 6 -2.212 -9.901 6.425 49 HA GLU 6 HA GLU 6 -2.564 -7.390 7.397 50 HB2 GLU 6 1HB GLU 6 -3.357 -9.440 8.491 51 HB3 GLU 6 2HB GLU 6 -1.719 -9.784 9.027 52 HG2 GLU 6 1HG GLU 6 -1.708 -7.826 10.418 53 HG3 GLU 6 2HG GLU 6 -3.278 -7.328 9.794 54 H ASN 7 H ASN 7 0.464 -9.261 7.717 55 HA ASN 7 HA ASN 7 1.899 -7.414 9.260 56 HB2 ASN 7 1HB ASN 7 2.661 -9.565 7.339 57 HB3 ASN 7 2HB ASN 7 3.902 -8.406 7.802 58 HD21 ASN 7 1HD2 ASN 7 2.818 -8.026 10.474 59 HD22 ASN 7 2HD2 ASN 7 3.210 -9.458 11.362 60 H VAL 8 H VAL 8 1.113 -7.434 5.894 61 HA VAL 8 HA VAL 8 3.026 -5.395 5.192 62 HB VAL 8 HB VAL 8 0.774 -6.585 3.571 63 HG11 VAL 8 1HG1 VAL 8 2.093 -5.741 1.649 64 HG12 VAL 8 2HG1 VAL 8 3.133 -4.887 2.792 65 HG13 VAL 8 3HG1 VAL 8 1.420 -4.472 2.670 66 HG21 VAL 8 3HG2 VAL 8 3.707 -7.276 3.624 67 HG22 VAL 8 1HG2 VAL 8 2.497 -7.971 2.546 68 HG23 VAL 8 2HG2 VAL 8 2.402 -8.263 4.282 69 H GLU 9 H GLU 9 -0.405 -5.628 5.925 70 HA GLU 9 HA GLU 9 -1.274 -3.093 5.177 71 HB2 GLU 9 1HB GLU 9 -2.797 -4.805 6.067 72 HB3 GLU 9 2HB GLU 9 -2.010 -4.720 7.638 73 HG2 GLU 9 1HG GLU 9 -3.218 -2.235 6.541 74 HG3 GLU 9 2HG GLU 9 -4.294 -3.494 7.134 75 H GLU 10 H GLU 10 0.255 -4.159 8.170 76 HA GLU 10 HA GLU 10 0.550 -1.636 9.360 77 HB2 GLU 10 1HB GLU 10 0.814 -3.724 10.603 78 HB3 GLU 10 2HB GLU 10 2.219 -4.145 9.633 79 HG2 GLU 10 1HG GLU 10 3.363 -2.132 10.522 80 HG3 GLU 10 2HG GLU 10 1.984 -1.875 11.592 81 H LYS 11 H LYS 11 2.879 -3.598 7.496 82 HA LYS 11 HA LYS 11 4.997 -1.793 7.814 83 HB2 LYS 11 1HB LYS 11 5.257 -4.180 7.318 84 HB3 LYS 11 2HB LYS 11 4.681 -3.879 5.685 85 HG2 LYS 11 1HG LYS 11 7.063 -4.025 5.688 86 HG3 LYS 11 2HG LYS 11 6.591 -2.387 5.299 87 HD2 LYS 11 1HD LYS 11 8.537 -2.482 6.792 88 HD3 LYS 11 2HD LYS 11 7.181 -1.667 7.549 89 HE2 LYS 11 1HE LYS 11 7.835 -4.574 8.010 90 HE3 LYS 11 2HE LYS 11 8.493 -3.273 8.998 91 HZ1 LYS 11 3HZ LYS 11 5.649 -4.062 8.725 92 HZ2 LYS 11 1HZ LYS 11 6.137 -2.620 9.475 93 HZ3 LYS 11 2HZ LYS 11 6.608 -4.119 10.115 94 H LEU 12 H LEU 12 2.766 -2.231 5.076 95 HA LEU 12 HA LEU 12 4.179 -0.444 3.376 96 HB2 LEU 12 1HB LEU 12 2.554 -2.193 2.629 97 HB3 LEU 12 2HB LEU 12 1.256 -1.174 3.216 98 HG LEU 12 HG LEU 12 2.057 0.600 1.645 99 HD11 LEU 12 1HD1 LEU 12 3.718 -1.653 0.527 100 HD12 LEU 12 2HD1 LEU 12 4.353 -0.264 1.406 101 HD13 LEU 12 3HD1 LEU 12 3.559 -0.037 -0.150 102 HD21 LEU 12 3HD2 LEU 12 0.148 -0.820 1.104 103 HD22 LEU 12 1HD2 LEU 12 1.233 -2.019 0.400 104 HD23 LEU 12 2HD2 LEU 12 1.081 -0.425 -0.340 105 H LYS 13 H LYS 13 1.486 -0.100 5.590 106 HA LYS 13 HA LYS 13 0.793 2.556 5.143 107 HB2 LYS 13 1HB LYS 13 -0.492 1.089 6.570 108 HB3 LYS 13 2HB LYS 13 0.864 0.916 7.667 109 HG2 LYS 13 1HG LYS 13 0.655 3.234 8.340 110 HG3 LYS 13 2HG LYS 13 -0.654 3.469 7.175 111 HD2 LYS 13 1HD LYS 13 -1.565 3.117 9.400 112 HD3 LYS 13 2HD LYS 13 -1.981 1.763 8.348 113 HE2 LYS 13 1HE LYS 13 0.154 0.666 9.327 114 HE3 LYS 13 2HE LYS 13 -0.000 1.876 10.598 115 HZ1 LYS 13 3HZ LYS 13 -2.036 -0.151 9.831 116 HZ2 LYS 13 1HZ LYS 13 -2.257 1.049 11.016 117 HZ3 LYS 13 2HZ LYS 13 -1.085 -0.163 11.236 118 H GLU 14 H GLU 14 3.350 1.140 7.086 119 HA GLU 14 HA GLU 14 4.294 3.584 8.181 120 HB2 GLU 14 1HB GLU 14 5.846 1.029 7.759 121 HB3 GLU 14 2HB GLU 14 6.191 2.299 8.926 122 HG2 GLU 14 1HG GLU 14 4.136 1.786 10.117 123 HG3 GLU 14 2HG GLU 14 3.747 0.538 8.929 124 H PHE 15 H PHE 15 5.174 1.639 5.374 125 HA PHE 15 HA PHE 15 7.505 3.149 4.775 126 HB2 PHE 15 1HB PHE 15 7.265 0.786 4.170 127 HB3 PHE 15 2HB PHE 15 5.939 1.187 3.088 128 HD1 PHE 15 HD1 PHE 15 9.520 2.041 3.682 129 HD2 PHE 15 HD2 PHE 15 6.395 1.462 0.851 130 HE1 PHE 15 HE1 PHE 15 11.133 2.332 1.850 131 HE2 PHE 15 HE2 PHE 15 8.004 1.756 -0.986 132 HZ PHE 15 HZ PHE 15 10.378 2.186 -0.488 133 H VAL 16 H VAL 16 4.156 3.257 3.653 134 HA VAL 16 HA VAL 16 4.792 5.197 1.599 135 HB VAL 16 HB VAL 16 2.110 4.200 2.580 136 HG11 VAL 16 1HG1 VAL 16 2.761 5.891 0.168 137 HG12 VAL 16 2HG1 VAL 16 1.934 6.446 1.624 138 HG13 VAL 16 3HG1 VAL 16 1.174 5.240 0.583 139 HG21 VAL 16 3HG2 VAL 16 3.459 2.486 1.489 140 HG22 VAL 16 1HG2 VAL 16 3.685 3.542 0.094 141 HG23 VAL 16 2HG2 VAL 16 2.076 2.934 0.489 142 H LYS 17 H LYS 17 2.933 5.231 4.655 143 HA LYS 17 HA LYS 17 2.434 8.062 4.379 144 HB2 LYS 17 1HB LYS 17 1.861 6.283 6.754 145 HB3 LYS 17 2HB LYS 17 1.195 7.879 6.453 146 HG2 LYS 17 1HG LYS 17 0.648 5.373 4.876 147 HG3 LYS 17 2HG LYS 17 -0.462 6.198 5.971 148 HD2 LYS 17 1HD LYS 17 -0.277 8.207 4.468 149 HD3 LYS 17 2HD LYS 17 0.597 7.181 3.328 150 HE2 LYS 17 1HE LYS 17 -1.677 7.204 2.641 151 HE3 LYS 17 2HE LYS 17 -1.377 5.627 3.369 152 HZ1 LYS 17 3HZ LYS 17 -3.492 6.648 4.071 153 HZ2 LYS 17 1HZ LYS 17 -2.627 7.925 4.778 154 HZ3 LYS 17 2HZ LYS 17 -2.451 6.342 5.376 155 H ARG 18 H ARG 18 4.380 6.000 6.497 156 HA ARG 18 HA ARG 18 5.088 8.299 8.134 157 HB2 ARG 18 1HB ARG 18 5.848 5.396 8.486 158 HB3 ARG 18 2HB ARG 18 5.979 6.675 9.692 159 HG2 ARG 18 1HG ARG 18 3.577 6.891 9.791 160 HG3 ARG 18 2HG ARG 18 3.387 5.721 8.487 161 HD2 ARG 18 1HD ARG 18 2.942 4.539 10.471 162 HD3 ARG 18 2HD ARG 18 4.572 4.064 9.996 163 HE ARG 18 HE ARG 18 4.439 6.267 11.869 164 HH11 ARG 18 1HH1 ARG 18 4.710 2.806 11.437 165 HH12 ARG 18 2HH1 ARG 18 5.316 2.521 13.031 166 HH21 ARG 18 1HH2 ARG 18 5.236 5.900 13.975 167 HH22 ARG 18 2HH2 ARG 18 5.620 4.290 14.482 168 H HIS 19 H HIS 19 6.319 6.901 5.405 169 HA HIS 19 HA HIS 19 9.086 7.585 6.131 170 HB2 HIS 19 1HB HIS 19 7.951 5.558 4.243 171 HB3 HIS 19 2HB HIS 19 9.545 6.232 3.922 172 HD1 HIS 19 HD1 HIS 19 7.722 4.369 6.709 173 HD2 HIS 19 HD2 HIS 19 11.559 5.051 5.261 174 HE1 HIS 19 HE1 HIS 19 9.263 2.871 8.041 175 H GLN 20 H GLN 20 10.061 7.683 3.505 176 HA GLN 20 HA GLN 20 9.552 10.395 2.862 177 HB2 GLN 20 1HB GLN 20 11.725 9.108 2.661 178 HB3 GLN 20 2HB GLN 20 11.048 8.344 1.232 179 HG2 GLN 20 1HG GLN 20 10.819 10.556 0.190 180 HG3 GLN 20 2HG GLN 20 11.574 11.268 1.615 181 HE21 GLN 20 1HE2 GLN 20 12.442 11.235 -1.186 182 HE22 GLN 20 2HE2 GLN 20 14.023 10.525 -1.186 183 H ARG 21 H ARG 21 7.524 7.997 2.363 184 HA ARG 21 HA ARG 21 5.825 7.519 0.955 185 HB2 ARG 21 1HB ARG 21 6.597 10.227 0.005 186 HB3 ARG 21 2HB ARG 21 5.604 9.254 -1.073 187 HG2 ARG 21 1HG ARG 21 4.193 10.659 0.237 188 HG3 ARG 21 2HG ARG 21 3.967 8.992 0.765 189 HD2 ARG 21 1HD ARG 21 4.065 10.453 2.679 190 HD3 ARG 21 2HD ARG 21 5.486 9.417 2.656 191 HE ARG 21 HE ARG 21 6.769 11.322 1.903 192 HH11 ARG 21 1HH1 ARG 21 3.564 12.012 3.117 193 HH12 ARG 21 2HH1 ARG 21 3.926 13.662 3.503 194 HH21 ARG 21 1HH2 ARG 21 7.261 13.482 2.445 195 HH22 ARG 21 2HH2 ARG 21 6.017 14.507 3.114 196 H ILE 22 H ILE 22 5.416 7.153 -1.570 197 HA ILE 22 HA ILE 22 7.884 6.252 -2.822 198 HB ILE 22 HB ILE 22 7.223 4.438 -1.263 199 HG12 ILE 22 1HG1 ILE 22 7.097 2.578 -3.029 200 HG13 ILE 22 2HG1 ILE 22 7.139 3.868 -4.221 201 HG21 ILE 22 1HG2 ILE 22 5.230 3.106 -1.697 202 HG22 ILE 22 2HG2 ILE 22 4.752 4.234 -2.965 203 HG23 ILE 22 3HG2 ILE 22 4.826 4.772 -1.288 204 HD11 ILE 22 3HD1 ILE 22 9.238 3.582 -2.095 205 HD12 ILE 22 1HD1 ILE 22 9.313 4.518 -3.585 206 HD13 ILE 22 2HD1 ILE 22 9.339 2.758 -3.651 207 H THR 23 H THR 23 7.765 6.090 -5.017 208 HA THR 23 HA THR 23 5.452 7.089 -6.365 209 HB THR 23 HB THR 23 6.906 6.249 -8.413 210 HG1 THR 23 HG1 THR 23 8.909 6.545 -6.403 211 HG21 THR 23 3HG2 THR 23 8.158 8.366 -8.323 212 HG22 THR 23 1HG2 THR 23 7.703 8.555 -6.628 213 HG23 THR 23 2HG2 THR 23 6.464 8.589 -7.884 214 H GLN 24 H GLN 24 4.796 5.780 -8.484 215 HA GLN 24 HA GLN 24 3.178 3.750 -7.328 216 HB2 GLN 24 1HB GLN 24 2.342 5.313 -9.024 217 HB3 GLN 24 2HB GLN 24 3.411 4.589 -10.218 218 HG2 GLN 24 1HG GLN 24 2.221 2.501 -10.087 219 HG3 GLN 24 2HG GLN 24 1.225 3.114 -8.768 220 HE21 GLN 24 1HE2 GLN 24 0.441 2.071 -11.369 221 HE22 GLN 24 2HE2 GLN 24 -0.478 3.333 -12.131 222 H GLU 25 H GLU 25 5.878 3.638 -9.639 223 HA GLU 25 HA GLU 25 5.543 0.934 -10.361 224 HB2 GLU 25 1HB GLU 25 6.955 2.453 -11.658 225 HB3 GLU 25 2HB GLU 25 8.080 2.580 -10.310 226 HG2 GLU 25 1HG GLU 25 8.731 0.299 -10.546 227 HG3 GLU 25 2HG GLU 25 7.439 -0.009 -11.704 228 H GLU 26 H GLU 26 7.862 2.352 -8.055 229 HA GLU 26 HA GLU 26 8.725 -0.114 -7.007 230 HB2 GLU 26 1HB GLU 26 8.873 2.723 -6.098 231 HB3 GLU 26 2HB GLU 26 9.328 1.443 -4.982 232 HG2 GLU 26 1HG GLU 26 10.505 1.815 -7.723 233 HG3 GLU 26 2HG GLU 26 11.233 2.410 -6.230 234 H LEU 27 H LEU 27 5.980 1.900 -6.238 235 HA LEU 27 HA LEU 27 5.167 0.766 -3.827 236 HB2 LEU 27 1HB LEU 27 4.133 2.734 -5.007 237 HB3 LEU 27 2HB LEU 27 3.372 1.613 -6.110 238 HG LEU 27 HG LEU 27 1.896 2.535 -4.288 239 HD11 LEU 27 1HD1 LEU 27 1.277 0.518 -5.502 240 HD12 LEU 27 2HD1 LEU 27 0.787 0.413 -3.811 241 HD13 LEU 27 3HD1 LEU 27 2.210 -0.461 -4.376 242 HD21 LEU 27 3HD2 LEU 27 3.482 2.501 -2.460 243 HD22 LEU 27 1HD2 LEU 27 3.601 0.745 -2.567 244 HD23 LEU 27 2HD2 LEU 27 2.084 1.498 -2.067 245 H HIS 28 H HIS 28 4.310 -0.217 -7.149 246 HA HIS 28 HA HIS 28 2.836 -2.489 -6.284 247 HB2 HIS 28 1HB HIS 28 2.595 -1.234 -8.504 248 HB3 HIS 28 2HB HIS 28 4.007 -2.142 -9.042 249 HD1 HIS 28 HD1 HIS 28 3.597 -4.934 -8.519 250 HD2 HIS 28 HD2 HIS 28 0.324 -2.466 -9.206 251 HE1 HIS 28 HE1 HIS 28 1.671 -6.456 -9.073 252 H GLN 29 H GLN 29 6.149 -1.987 -7.375 253 HA GLN 29 HA GLN 29 6.921 -4.680 -7.541 254 HB2 GLN 29 1HB GLN 29 8.484 -2.181 -6.905 255 HB3 GLN 29 2HB GLN 29 9.245 -3.761 -7.046 256 HG2 GLN 29 1HG GLN 29 7.662 -2.392 -9.212 257 HG3 GLN 29 2HG GLN 29 9.421 -2.442 -9.105 258 HE21 GLN 29 1HE2 GLN 29 9.458 -5.186 -8.115 259 HE22 GLN 29 2HE2 GLN 29 9.082 -6.192 -9.469 260 H TYR 30 H TYR 30 6.831 -2.442 -4.814 261 HA TYR 30 HA TYR 30 8.012 -4.253 -2.956 262 HB2 TYR 30 1HB TYR 30 7.889 -1.706 -2.783 263 HB3 TYR 30 2HB TYR 30 6.215 -1.916 -2.285 264 HD1 TYR 30 HD1 TYR 30 9.395 -3.667 -1.406 265 HD2 TYR 30 HD2 TYR 30 6.004 -1.510 -0.023 266 HE1 TYR 30 HE1 TYR 30 10.161 -3.963 0.910 267 HE2 TYR 30 HE2 TYR 30 6.755 -1.800 2.300 268 HH TYR 30 HH TYR 30 8.174 -3.328 3.593 269 H ALA 31 H ALA 31 4.839 -3.790 -4.237 270 HA ALA 31 HA ALA 31 3.372 -4.990 -2.110 271 HB1 ALA 31 3HB ALA 31 1.529 -5.096 -3.746 272 HB2 ALA 31 1HB ALA 31 2.645 -4.596 -5.016 273 HB3 ALA 31 2HB ALA 31 2.275 -3.500 -3.684 274 H GLN 32 H GLN 32 4.760 -6.145 -5.139 275 HA GLN 32 HA GLN 32 3.614 -8.759 -4.957 276 HB2 GLN 32 1HB GLN 32 5.915 -7.720 -6.615 277 HB3 GLN 32 2HB GLN 32 5.190 -9.309 -6.793 278 HG2 GLN 32 1HG GLN 32 3.138 -8.389 -7.537 279 HG3 GLN 32 2HG GLN 32 3.633 -6.757 -7.103 280 HE21 GLN 32 1HE2 GLN 32 3.905 -9.319 -9.416 281 HE22 GLN 32 2HE2 GLN 32 4.719 -8.394 -10.639 282 H ARG 33 H ARG 33 6.487 -7.260 -3.721 283 HA ARG 33 HA ARG 33 7.888 -9.692 -3.180 284 HB2 ARG 33 1HB ARG 33 9.056 -7.517 -3.348 285 HB3 ARG 33 2HB ARG 33 8.222 -6.967 -1.899 286 HG2 ARG 33 1HG ARG 33 9.293 -8.776 -0.621 287 HG3 ARG 33 2HG ARG 33 10.170 -9.259 -2.072 288 HD2 ARG 33 1HD ARG 33 11.212 -7.024 -2.147 289 HD3 ARG 33 2HD ARG 33 10.381 -6.613 -0.645 290 HE ARG 33 HE ARG 33 12.088 -8.983 -0.640 291 HH11 ARG 33 1HH1 ARG 33 11.698 -5.605 0.230 292 HH12 ARG 33 2HH1 ARG 33 12.941 -5.642 1.441 293 HH21 ARG 33 1HH2 ARG 33 13.747 -9.028 0.925 294 HH22 ARG 33 2HH2 ARG 33 14.115 -7.586 1.820 295 H LEU 34 H LEU 34 5.510 -7.765 -1.494 296 HA LEU 34 HA LEU 34 5.974 -9.230 0.983 297 HB2 LEU 34 1HB LEU 34 4.229 -6.853 0.363 298 HB3 LEU 34 2HB LEU 34 4.356 -7.601 1.944 299 HG LEU 34 HG LEU 34 6.600 -6.246 0.445 300 HD11 LEU 34 1HD1 LEU 34 4.979 -4.668 1.309 301 HD12 LEU 34 2HD1 LEU 34 6.471 -4.592 2.249 302 HD13 LEU 34 3HD1 LEU 34 5.057 -5.426 2.899 303 HD21 LEU 34 3HD2 LEU 34 7.895 -6.564 2.494 304 HD22 LEU 34 1HD2 LEU 34 7.427 -8.106 1.780 305 HD23 LEU 34 2HD2 LEU 34 6.567 -7.492 3.190 306 H GLY 35 H GLY 35 3.752 -9.178 -1.667 307 HA2 GLY 35 1HA GLY 35 2.460 -11.196 -1.988 308 HA3 GLY 35 2HA GLY 35 2.218 -11.265 -0.248 309 H LEU 36 H LEU 36 1.796 -8.531 -2.490 310 HA LEU 36 HA LEU 36 -0.869 -8.229 -1.312 311 HB2 LEU 36 1HB LEU 36 0.742 -6.218 -2.875 312 HB3 LEU 36 2HB LEU 36 -0.797 -5.926 -2.084 313 HG LEU 36 HG LEU 36 1.856 -6.478 -0.760 314 HD11 LEU 36 1HD1 LEU 36 1.436 -4.325 0.300 315 HD12 LEU 36 2HD1 LEU 36 -0.084 -4.175 -0.583 316 HD13 LEU 36 3HD1 LEU 36 1.449 -4.176 -1.457 317 HD21 LEU 36 3HD2 LEU 36 0.188 -7.787 0.389 318 HD22 LEU 36 1HD2 LEU 36 -0.898 -6.399 0.460 319 HD23 LEU 36 2HD2 LEU 36 0.614 -6.382 1.366 320 H ASN 37 H ASN 37 -2.660 -8.296 -2.415 321 HA ASN 37 HA ASN 37 -2.623 -8.762 -5.283 322 HB2 ASN 37 1HB ASN 37 -5.124 -9.035 -4.935 323 HB3 ASN 37 2HB ASN 37 -4.112 -10.212 -4.113 324 HD21 ASN 37 1HD2 ASN 37 -4.458 -6.928 -2.937 325 HD22 ASN 37 2HD2 ASN 37 -5.383 -7.340 -1.525 326 H GLU 38 H GLU 38 -4.315 -7.525 -6.575 327 HA GLU 38 HA GLU 38 -3.522 -4.812 -6.471 328 HB2 GLU 38 1HB GLU 38 -5.690 -6.116 -8.123 329 HB3 GLU 38 2HB GLU 38 -5.034 -4.506 -8.392 330 HG2 GLU 38 1HG GLU 38 -3.879 -5.766 -9.931 331 HG3 GLU 38 2HG GLU 38 -2.760 -5.723 -8.570 332 H GLU 39 H GLU 39 -6.152 -6.468 -5.017 333 HA GLU 39 HA GLU 39 -8.132 -4.578 -4.736 334 HB2 GLU 39 1HB GLU 39 -8.359 -6.812 -3.831 335 HB3 GLU 39 2HB GLU 39 -7.043 -6.532 -2.701 336 HG2 GLU 39 1HG GLU 39 -9.089 -6.413 -1.499 337 HG3 GLU 39 2HG GLU 39 -8.433 -4.782 -1.613 338 H ALA 40 H ALA 40 -5.391 -5.092 -2.574 339 HA ALA 40 HA ALA 40 -5.913 -2.756 -1.021 340 HB1 ALA 40 3HB ALA 40 -4.812 -4.759 -0.107 341 HB2 ALA 40 1HB ALA 40 -3.854 -3.298 0.132 342 HB3 ALA 40 2HB ALA 40 -3.417 -4.440 -1.138 343 H ILE 41 H ILE 41 -3.809 -3.558 -3.698 344 HA ILE 41 HA ILE 41 -2.045 -1.396 -3.533 345 HB ILE 41 HB ILE 41 -2.936 -2.843 -6.031 346 HG12 ILE 41 1HG1 ILE 41 -0.585 -3.375 -4.201 347 HG13 ILE 41 2HG1 ILE 41 -2.059 -4.336 -4.259 348 HG21 ILE 41 1HG2 ILE 41 -0.445 -1.225 -5.485 349 HG22 ILE 41 2HG2 ILE 41 -1.791 -0.738 -6.517 350 HG23 ILE 41 3HG2 ILE 41 -0.792 -2.120 -6.966 351 HD11 ILE 41 3HD1 ILE 41 -1.567 -4.983 -6.541 352 HD12 ILE 41 1HD1 ILE 41 -0.223 -5.386 -5.473 353 HD13 ILE 41 2HD1 ILE 41 -0.119 -3.977 -6.532 354 H ARG 42 H ARG 42 -5.081 -1.746 -5.369 355 HA ARG 42 HA ARG 42 -4.898 0.954 -6.356 356 HB2 ARG 42 1HB ARG 42 -6.012 -0.918 -7.614 357 HB3 ARG 42 2HB ARG 42 -7.308 -0.869 -6.426 358 HG2 ARG 42 1HG ARG 42 -7.587 1.569 -7.035 359 HG3 ARG 42 2HG ARG 42 -6.519 1.244 -8.397 360 HD2 ARG 42 1HD ARG 42 -8.644 0.986 -9.304 361 HD3 ARG 42 2HD ARG 42 -8.144 -0.668 -8.947 362 HE ARG 42 HE ARG 42 -9.498 0.326 -6.710 363 HH11 ARG 42 1HH1 ARG 42 -10.161 -0.594 -10.026 364 HH12 ARG 42 2HH1 ARG 42 -11.842 -0.939 -9.728 365 HH21 ARG 42 1HH2 ARG 42 -11.680 -0.093 -6.314 366 HH22 ARG 42 2HH2 ARG 42 -12.708 -0.656 -7.598 367 H GLN 43 H GLN 43 -6.627 -0.739 -3.795 368 HA GLN 43 HA GLN 43 -8.521 1.282 -3.290 369 HB2 GLN 43 1HB GLN 43 -8.410 -1.221 -2.489 370 HB3 GLN 43 2HB GLN 43 -7.613 -0.515 -1.086 371 HG2 GLN 43 1HG GLN 43 -9.576 1.015 -0.851 372 HG3 GLN 43 2HG GLN 43 -10.374 0.077 -2.116 373 HE21 GLN 43 1HE2 GLN 43 -10.919 -2.107 -1.692 374 HE22 GLN 43 2HE2 GLN 43 -11.091 -2.672 -0.067 375 H PHE 44 H PHE 44 -5.265 0.774 -2.127 376 HA PHE 44 HA PHE 44 -5.252 2.552 0.028 377 HB2 PHE 44 1HB PHE 44 -3.395 0.935 -1.168 378 HB3 PHE 44 2HB PHE 44 -2.805 2.527 -1.623 379 HD1 PHE 44 HD1 PHE 44 -4.454 1.413 1.525 380 HD2 PHE 44 HD2 PHE 44 -0.907 2.871 -0.323 381 HE1 PHE 44 HE1 PHE 44 -3.382 1.600 3.737 382 HE2 PHE 44 HE2 PHE 44 0.168 3.065 1.887 383 HZ PHE 44 HZ PHE 44 -1.069 2.424 3.920 384 H PHE 45 H PHE 45 -5.004 3.121 -3.440 385 HA PHE 45 HA PHE 45 -4.598 5.976 -3.002 386 HB2 PHE 45 1HB PHE 45 -4.766 4.364 -5.553 387 HB3 PHE 45 2HB PHE 45 -4.492 6.100 -5.490 388 HD1 PHE 45 HD1 PHE 45 -2.426 6.914 -4.210 389 HD2 PHE 45 HD2 PHE 45 -2.988 2.882 -5.454 390 HE1 PHE 45 HE1 PHE 45 -0.003 6.523 -4.021 391 HE2 PHE 45 HE2 PHE 45 -0.570 2.486 -5.266 392 HZ PHE 45 HZ PHE 45 0.927 4.305 -4.549 393 H GLU 46 H GLU 46 -7.070 3.765 -4.241 394 HA GLU 46 HA GLU 46 -8.762 5.779 -5.305 395 HB2 GLU 46 1HB GLU 46 -10.263 4.066 -5.798 396 HB3 GLU 46 2HB GLU 46 -8.717 3.233 -5.771 397 HG2 GLU 46 1HG GLU 46 -9.204 2.514 -3.445 398 HG3 GLU 46 2HG GLU 46 -10.809 3.224 -3.615 399 H GLU 47 H GLU 47 -8.513 4.236 -2.193 400 HA GLU 47 HA GLU 47 -10.515 6.135 -1.164 401 HB2 GLU 47 1HB GLU 47 -9.829 3.352 -0.219 402 HB3 GLU 47 2HB GLU 47 -10.830 4.467 0.706 403 HG2 GLU 47 1HG GLU 47 -12.342 4.592 -1.303 404 HG3 GLU 47 2HG GLU 47 -11.408 3.269 -1.991 405 H PHE 48 H PHE 48 -8.053 7.028 -1.555 406 HA PHE 48 HA PHE 48 -6.287 6.698 0.666 407 HB2 PHE 48 1HB PHE 48 -5.737 7.406 -1.767 408 HB3 PHE 48 2HB PHE 48 -6.256 9.007 -1.261 409 HD1 PHE 48 HD1 PHE 48 -3.953 6.301 -0.123 410 HD2 PHE 48 HD2 PHE 48 -4.653 10.473 -0.561 411 HE1 PHE 48 HE1 PHE 48 -1.688 6.768 0.719 412 HE2 PHE 48 HE2 PHE 48 -2.390 10.948 0.275 413 HZ PHE 48 HZ PHE 48 -0.904 9.094 0.920 414 H GLU 49 H GLU 49 -5.530 8.716 1.852 415 HA GLU 49 HA GLU 49 -7.709 9.657 3.413 416 HB2 GLU 49 1HB GLU 49 -5.990 10.873 4.684 417 HB3 GLU 49 2HB GLU 49 -5.535 9.196 4.413 418 HG2 GLU 49 1HG GLU 49 -4.121 9.951 2.510 419 HG3 GLU 49 2HG GLU 49 -4.497 11.614 2.957 420 H GLN 50 H GLN 50 -6.401 10.749 0.530 421 HA GLN 50 HA GLN 50 -7.011 13.557 1.016 422 HB2 GLN 50 1HB GLN 50 -5.854 12.186 -1.417 423 HB3 GLN 50 2HB GLN 50 -6.056 13.923 -1.231 424 HG2 GLN 50 1HG GLN 50 -4.332 12.193 0.523 425 HG3 GLN 50 2HG GLN 50 -3.751 13.150 -0.837 426 HE21 GLN 50 1HE2 GLN 50 -5.549 15.370 -0.297 427 HE22 GLN 50 2HE2 GLN 50 -4.912 16.179 1.095 428 H ARG 51 H ARG 51 -8.844 11.001 0.394 429 HA ARG 51 HA ARG 51 -10.545 12.468 -1.501 430 HB2 ARG 51 1HB ARG 51 -9.922 9.575 -1.280 431 HB3 ARG 51 2HB ARG 51 -11.558 10.015 -1.757 432 HG2 ARG 51 1HG ARG 51 -10.637 11.376 -3.587 433 HG3 ARG 51 2HG ARG 51 -9.016 10.862 -3.120 434 HD2 ARG 51 1HD ARG 51 -9.416 8.643 -3.746 435 HD3 ARG 51 2HD ARG 51 -11.163 8.884 -3.796 436 HE ARG 51 HE ARG 51 -10.753 10.330 -5.775 437 HH11 ARG 51 1HH1 ARG 51 -8.383 7.895 -4.901 438 HH12 ARG 51 2HH1 ARG 51 -7.788 7.718 -6.525 439 HH21 ARG 51 1HH2 ARG 51 -9.956 10.110 -7.881 440 HH22 ARG 51 2HH2 ARG 51 -8.659 9.004 -8.212 441 H LYS 52 H LYS 52 -12.925 11.642 -1.292 442 HA LYS 52 HA LYS 52 -14.825 12.073 -0.162 443 HB2 LYS 52 1HB LYS 52 -13.289 10.769 2.089 444 HB3 LYS 52 2HB LYS 52 -14.931 11.358 2.297 445 HG2 LYS 52 1HG LYS 52 -15.618 9.834 0.421 446 HG3 LYS 52 2HG LYS 52 -13.988 9.153 0.478 447 HD2 LYS 52 1HD LYS 52 -14.308 8.429 2.739 448 HD3 LYS 52 2HD LYS 52 -15.845 9.289 2.849 449 HE2 LYS 52 1HE LYS 52 -16.751 7.819 1.083 450 HE3 LYS 52 2HE LYS 52 -15.233 6.924 1.080 451 HZ1 LYS 52 3HZ LYS 52 -15.617 6.300 3.370 452 HZ2 LYS 52 1HZ LYS 52 -16.943 5.844 2.420 453 HZ3 LYS 52 2HZ LYS 52 -17.046 7.210 3.420 Start of MODEL 22 1 H1 MET 1 1H MET 1 -5.717 -8.076 6.168 2 H2 MET 1 2H MET 1 -4.427 -9.098 5.771 3 H3 MET 1 3H MET 1 -4.647 -8.597 7.374 4 HA MET 1 HA MET 1 -5.364 -10.870 7.072 5 HB2 MET 1 1HB MET 1 -7.542 -8.845 7.597 6 HB3 MET 1 2HB MET 1 -7.737 -10.569 7.882 7 HG2 MET 1 1HG MET 1 -5.661 -8.825 9.182 8 HG3 MET 1 2HG MET 1 -7.188 -9.313 9.915 9 HE1 MET 1 3HE MET 1 -6.745 -13.178 10.269 10 HE2 MET 1 1HE MET 1 -7.543 -12.279 8.979 11 HE3 MET 1 2HE MET 1 -7.765 -11.793 10.662 12 H LYS 2 H LYS 2 -7.912 -8.879 5.534 13 HA LYS 2 HA LYS 2 -8.544 -11.247 3.927 14 HB2 LYS 2 1HB LYS 2 -10.755 -10.134 3.612 15 HB3 LYS 2 2HB LYS 2 -10.388 -10.516 5.289 16 HG2 LYS 2 1HG LYS 2 -9.878 -8.241 5.767 17 HG3 LYS 2 2HG LYS 2 -9.943 -7.808 4.060 18 HD2 LYS 2 1HD LYS 2 -11.968 -7.049 5.044 19 HD3 LYS 2 2HD LYS 2 -12.367 -8.471 4.085 20 HE2 LYS 2 1HE LYS 2 -11.835 -8.611 7.042 21 HE3 LYS 2 2HE LYS 2 -13.435 -8.279 6.388 22 HZ1 LYS 2 3HZ LYS 2 -13.366 -10.571 6.771 23 HZ2 LYS 2 1HZ LYS 2 -11.817 -10.742 6.102 24 HZ3 LYS 2 2HZ LYS 2 -13.140 -10.417 5.093 25 H GLN 3 H GLN 3 -6.611 -8.909 3.339 26 HA GLN 3 HA GLN 3 -7.358 -8.618 0.539 27 HB2 GLN 3 1HB GLN 3 -7.155 -6.256 2.406 28 HB3 GLN 3 2HB GLN 3 -6.964 -6.095 0.671 29 HG2 GLN 3 1HG GLN 3 -9.229 -6.895 0.333 30 HG3 GLN 3 2HG GLN 3 -9.414 -7.150 2.068 31 HE21 GLN 3 1HE2 GLN 3 -9.260 -4.811 -0.490 32 HE22 GLN 3 2HE2 GLN 3 -9.802 -3.463 0.441 33 H TRP 4 H TRP 4 -5.233 -7.242 2.976 34 HA TRP 4 HA TRP 4 -2.927 -8.065 1.368 35 HB2 TRP 4 1HB TRP 4 -1.728 -6.104 2.490 36 HB3 TRP 4 2HB TRP 4 -2.879 -5.719 1.224 37 HD1 TRP 4 HD1 TRP 4 -5.201 -6.249 3.826 38 HE1 TRP 4 HE1 TRP 4 -5.723 -4.117 5.171 39 HE3 TRP 4 HE3 TRP 4 -1.209 -3.412 2.410 40 HZ2 TRP 4 HZ2 TRP 4 -4.594 -1.573 5.570 41 HZ3 TRP 4 HZ3 TRP 4 -1.002 -1.133 3.318 42 HH2 TRP 4 HH2 TRP 4 -2.664 -0.231 4.863 43 H SER 5 H SER 5 -1.104 -8.817 2.502 44 HA SER 5 HA SER 5 -1.620 -10.494 4.634 45 HB2 SER 5 1HB SER 5 1.062 -9.317 3.872 46 HB3 SER 5 2HB SER 5 0.787 -10.810 4.769 47 HG SER 5 HG SER 5 1.190 -11.076 2.468 48 H GLU 6 H GLU 6 -1.739 -10.254 6.763 49 HA GLU 6 HA GLU 6 -2.200 -7.957 8.086 50 HB2 GLU 6 1HB GLU 6 -2.589 -10.148 9.053 51 HB3 GLU 6 2HB GLU 6 -0.859 -10.396 9.237 52 HG2 GLU 6 1HG GLU 6 -0.774 -8.488 10.788 53 HG3 GLU 6 2HG GLU 6 -2.524 -8.324 10.642 54 H ASN 7 H ASN 7 1.049 -9.444 7.937 55 HA ASN 7 HA ASN 7 2.237 -7.385 9.499 56 HB2 ASN 7 1HB ASN 7 4.416 -8.356 8.603 57 HB3 ASN 7 2HB ASN 7 3.380 -9.434 9.525 58 HD21 ASN 7 1HD2 ASN 7 4.366 -11.225 8.615 59 HD22 ASN 7 2HD2 ASN 7 4.026 -11.731 6.989 60 H VAL 8 H VAL 8 1.426 -7.652 6.203 61 HA VAL 8 HA VAL 8 3.178 -5.546 5.298 62 HB VAL 8 HB VAL 8 0.799 -6.823 3.932 63 HG11 VAL 8 1HG1 VAL 8 1.856 -5.929 1.870 64 HG12 VAL 8 2HG1 VAL 8 2.973 -5.022 2.893 65 HG13 VAL 8 3HG1 VAL 8 1.238 -4.690 2.961 66 HG21 VAL 8 3HG2 VAL 8 3.748 -7.396 3.666 67 HG22 VAL 8 1HG2 VAL 8 2.470 -8.103 2.675 68 HG23 VAL 8 2HG2 VAL 8 2.542 -8.450 4.403 69 H GLU 9 H GLU 9 -0.130 -5.925 6.393 70 HA GLU 9 HA GLU 9 -1.291 -3.531 5.659 71 HB2 GLU 9 1HB GLU 9 -1.591 -4.976 8.306 72 HB3 GLU 9 2HB GLU 9 -2.708 -3.774 7.667 73 HG2 GLU 9 1HG GLU 9 -3.110 -5.282 5.732 74 HG3 GLU 9 2HG GLU 9 -2.117 -6.495 6.537 75 H GLU 10 H GLU 10 0.540 -4.213 8.609 76 HA GLU 10 HA GLU 10 0.661 -1.623 9.637 77 HB2 GLU 10 1HB GLU 10 1.331 -3.330 11.091 78 HB3 GLU 10 2HB GLU 10 2.391 -4.067 9.895 79 HG2 GLU 10 1HG GLU 10 3.874 -2.075 10.092 80 HG3 GLU 10 2HG GLU 10 2.866 -1.525 11.436 81 H LYS 11 H LYS 11 3.024 -3.355 7.624 82 HA LYS 11 HA LYS 11 4.917 -1.260 7.839 83 HB2 LYS 11 1HB LYS 11 5.520 -3.616 7.605 84 HB3 LYS 11 2HB LYS 11 4.889 -3.618 5.964 85 HG2 LYS 11 1HG LYS 11 6.572 -2.031 5.270 86 HG3 LYS 11 2HG LYS 11 7.163 -1.888 6.925 87 HD2 LYS 11 1HD LYS 11 7.198 -4.417 5.272 88 HD3 LYS 11 2HD LYS 11 8.582 -3.356 5.533 89 HE2 LYS 11 1HE LYS 11 7.080 -4.885 7.662 90 HE3 LYS 11 2HE LYS 11 8.668 -5.288 7.018 91 HZ1 LYS 11 3HZ LYS 11 7.962 -2.851 8.566 92 HZ2 LYS 11 1HZ LYS 11 9.485 -3.154 7.874 93 HZ3 LYS 11 2HZ LYS 11 8.896 -4.156 9.108 94 H LEU 12 H LEU 12 2.687 -2.215 5.233 95 HA LEU 12 HA LEU 12 3.777 -0.463 3.296 96 HB2 LEU 12 1HB LEU 12 2.271 -2.317 2.728 97 HB3 LEU 12 2HB LEU 12 0.947 -1.492 3.526 98 HG LEU 12 HG LEU 12 1.254 0.381 1.871 99 HD11 LEU 12 1HD1 LEU 12 2.427 -0.217 -0.220 100 HD12 LEU 12 2HD1 LEU 12 3.063 -1.650 0.586 101 HD13 LEU 12 3HD1 LEU 12 3.500 -0.042 1.167 102 HD21 LEU 12 3HD2 LEU 12 -0.551 -1.189 1.617 103 HD22 LEU 12 1HD2 LEU 12 0.520 -2.349 0.834 104 HD23 LEU 12 2HD2 LEU 12 0.135 -0.827 0.033 105 H LYS 13 H LYS 13 1.158 -0.099 5.645 106 HA LYS 13 HA LYS 13 0.213 2.405 4.943 107 HB2 LYS 13 1HB LYS 13 -0.806 1.003 6.691 108 HB3 LYS 13 2HB LYS 13 0.589 1.277 7.724 109 HG2 LYS 13 1HG LYS 13 0.042 3.723 7.656 110 HG3 LYS 13 2HG LYS 13 -1.458 3.294 6.836 111 HD2 LYS 13 1HD LYS 13 -1.940 3.543 9.165 112 HD3 LYS 13 2HD LYS 13 -2.018 1.826 8.776 113 HE2 LYS 13 1HE LYS 13 0.193 1.481 9.722 114 HE3 LYS 13 2HE LYS 13 0.361 3.209 10.031 115 HZ1 LYS 13 3HZ LYS 13 -1.679 1.425 11.258 116 HZ2 LYS 13 1HZ LYS 13 -1.485 3.080 11.580 117 HZ3 LYS 13 2HZ LYS 13 -0.274 1.981 12.025 118 H GLU 14 H GLU 14 2.834 1.601 7.189 119 HA GLU 14 HA GLU 14 3.471 4.356 7.638 120 HB2 GLU 14 1HB GLU 14 4.967 1.852 8.413 121 HB3 GLU 14 2HB GLU 14 5.284 3.470 9.030 122 HG2 GLU 14 1HG GLU 14 2.956 3.513 9.911 123 HG3 GLU 14 2HG GLU 14 2.794 1.825 9.430 124 H PHE 15 H PHE 15 4.488 1.946 5.369 125 HA PHE 15 HA PHE 15 6.995 3.159 4.747 126 HB2 PHE 15 1HB PHE 15 6.499 0.775 4.319 127 HB3 PHE 15 2HB PHE 15 5.310 1.254 3.115 128 HD1 PHE 15 HD1 PHE 15 8.862 2.099 3.895 129 HD2 PHE 15 HD2 PHE 15 6.008 0.962 0.949 130 HE1 PHE 15 HE1 PHE 15 10.631 2.099 2.187 131 HE2 PHE 15 HE2 PHE 15 7.773 0.963 -0.760 132 HZ PHE 15 HZ PHE 15 10.086 1.530 -0.146 133 H VAL 16 H VAL 16 3.699 3.585 3.699 134 HA VAL 16 HA VAL 16 4.496 5.337 1.520 135 HB VAL 16 HB VAL 16 1.734 4.650 2.552 136 HG11 VAL 16 1HG1 VAL 16 2.568 6.101 0.041 137 HG12 VAL 16 2HG1 VAL 16 1.760 6.815 1.436 138 HG13 VAL 16 3HG1 VAL 16 0.924 5.616 0.453 139 HG21 VAL 16 3HG2 VAL 16 2.871 2.715 1.607 140 HG22 VAL 16 1HG2 VAL 16 3.250 3.632 0.149 141 HG23 VAL 16 2HG2 VAL 16 1.573 3.252 0.541 142 H LYS 17 H LYS 17 2.876 5.566 4.672 143 HA LYS 17 HA LYS 17 2.538 8.424 4.468 144 HB2 LYS 17 1HB LYS 17 2.114 6.540 6.786 145 HB3 LYS 17 2HB LYS 17 1.689 8.242 6.786 146 HG2 LYS 17 1HG LYS 17 0.525 6.160 4.955 147 HG3 LYS 17 2HG LYS 17 -0.242 6.794 6.412 148 HD2 LYS 17 1HD LYS 17 -0.007 9.088 5.350 149 HD3 LYS 17 2HD LYS 17 0.383 8.237 3.853 150 HE2 LYS 17 1HE LYS 17 -1.961 8.761 3.864 151 HE3 LYS 17 2HE LYS 17 -1.763 7.019 4.039 152 HZ1 LYS 17 3HZ LYS 17 -3.452 7.921 5.539 153 HZ2 LYS 17 1HZ LYS 17 -2.284 8.912 6.273 154 HZ3 LYS 17 2HZ LYS 17 -2.165 7.223 6.399 155 H ARG 18 H ARG 18 4.473 6.270 6.527 156 HA ARG 18 HA ARG 18 5.587 8.622 7.853 157 HB2 ARG 18 1HB ARG 18 5.590 5.700 8.615 158 HB3 ARG 18 2HB ARG 18 6.304 6.986 9.580 159 HG2 ARG 18 1HG ARG 18 4.170 7.998 9.940 160 HG3 ARG 18 2HG ARG 18 3.403 6.901 8.791 161 HD2 ARG 18 1HD ARG 18 3.781 5.025 10.240 162 HD3 ARG 18 2HD ARG 18 4.740 6.017 11.343 163 HE ARG 18 HE ARG 18 2.138 7.097 11.033 164 HH11 ARG 18 1HH1 ARG 18 3.801 4.406 12.546 165 HH12 ARG 18 2HH1 ARG 18 2.688 4.314 13.886 166 HH21 ARG 18 1HH2 ARG 18 0.676 6.973 12.787 167 HH22 ARG 18 2HH2 ARG 18 0.898 5.748 13.998 168 H HIS 19 H HIS 19 6.440 6.888 5.270 169 HA HIS 19 HA HIS 19 9.295 6.946 5.947 170 HB2 HIS 19 1HB HIS 19 7.690 5.216 4.154 171 HB3 HIS 19 2HB HIS 19 9.310 5.633 3.602 172 HD1 HIS 19 HD1 HIS 19 11.102 4.088 4.418 173 HD2 HIS 19 HD2 HIS 19 7.775 4.099 6.910 174 HE1 HIS 19 HE1 HIS 19 11.543 2.351 6.199 175 H GLN 20 H GLN 20 10.069 6.874 3.137 176 HA GLN 20 HA GLN 20 10.142 9.747 2.778 177 HB2 GLN 20 1HB GLN 20 11.469 7.531 1.202 178 HB3 GLN 20 2HB GLN 20 11.797 9.246 1.021 179 HG2 GLN 20 1HG GLN 20 13.559 8.397 2.302 180 HG3 GLN 20 2HG GLN 20 12.511 9.231 3.445 181 HE21 GLN 20 1HE2 GLN 20 13.241 8.080 5.200 182 HE22 GLN 20 2HE2 GLN 20 12.881 6.404 5.443 183 H ARG 21 H ARG 21 7.808 7.767 2.066 184 HA ARG 21 HA ARG 21 6.239 7.433 0.480 185 HB2 ARG 21 1HB ARG 21 7.289 10.053 -0.611 186 HB3 ARG 21 2HB ARG 21 5.835 9.253 -1.186 187 HG2 ARG 21 1HG ARG 21 4.907 9.429 1.108 188 HG3 ARG 21 2HG ARG 21 6.335 10.361 1.563 189 HD2 ARG 21 1HD ARG 21 4.285 11.095 -0.523 190 HD3 ARG 21 2HD ARG 21 4.521 11.857 1.045 191 HE ARG 21 HE ARG 21 6.910 11.971 -0.463 192 HH11 ARG 21 1HH1 ARG 21 3.708 13.390 -0.319 193 HH12 ARG 21 2HH1 ARG 21 4.219 14.918 -0.981 194 HH21 ARG 21 1HH2 ARG 21 7.573 13.938 -1.367 195 HH22 ARG 21 2HH2 ARG 21 6.419 15.216 -1.616 196 H ILE 22 H ILE 22 6.092 7.472 -2.214 197 HA ILE 22 HA ILE 22 8.471 6.569 -3.466 198 HB ILE 22 HB ILE 22 8.258 4.792 -1.798 199 HG12 ILE 22 1HG1 ILE 22 7.543 3.734 -4.536 200 HG13 ILE 22 2HG1 ILE 22 9.158 4.259 -4.059 201 HG21 ILE 22 1HG2 ILE 22 6.364 3.231 -1.864 202 HG22 ILE 22 2HG2 ILE 22 5.572 4.268 -3.050 203 HG23 ILE 22 3HG2 ILE 22 5.878 4.867 -1.421 204 HD11 ILE 22 3HD1 ILE 22 9.183 2.532 -2.323 205 HD12 ILE 22 1HD1 ILE 22 8.977 1.857 -3.939 206 HD13 ILE 22 2HD1 ILE 22 7.591 1.994 -2.858 207 H THR 23 H THR 23 8.125 5.873 -5.631 208 HA THR 23 HA THR 23 5.703 6.818 -6.829 209 HB THR 23 HB THR 23 6.754 5.945 -8.956 210 HG1 THR 23 HG1 THR 23 9.181 5.580 -8.450 211 HG21 THR 23 3HG2 THR 23 7.042 8.269 -8.191 212 HG22 THR 23 1HG2 THR 23 8.470 7.676 -9.034 213 HG23 THR 23 2HG2 THR 23 8.467 7.780 -7.274 214 H GLN 24 H GLN 24 4.516 5.467 -8.443 215 HA GLN 24 HA GLN 24 3.319 3.316 -7.031 216 HB2 GLN 24 1HB GLN 24 2.067 4.806 -8.508 217 HB3 GLN 24 2HB GLN 24 2.970 4.211 -9.893 218 HG2 GLN 24 1HG GLN 24 2.031 1.976 -9.526 219 HG3 GLN 24 2HG GLN 24 1.092 2.607 -8.173 220 HE21 GLN 24 1HE2 GLN 24 0.633 5.161 -9.558 221 HE22 GLN 24 2HE2 GLN 24 -0.570 4.841 -10.760 222 H GLU 25 H GLU 25 5.440 3.430 -9.876 223 HA GLU 25 HA GLU 25 5.304 0.730 -10.570 224 HB2 GLU 25 1HB GLU 25 6.306 2.474 -11.995 225 HB3 GLU 25 2HB GLU 25 7.651 2.612 -10.872 226 HG2 GLU 25 1HG GLU 25 8.428 0.437 -11.404 227 HG3 GLU 25 2HG GLU 25 6.960 0.064 -12.308 228 H GLU 26 H GLU 26 7.603 2.397 -8.433 229 HA GLU 26 HA GLU 26 9.008 0.053 -7.691 230 HB2 GLU 26 1HB GLU 26 8.714 2.698 -6.264 231 HB3 GLU 26 2HB GLU 26 9.849 1.439 -5.805 232 HG2 GLU 26 1HG GLU 26 9.827 2.874 -8.448 233 HG3 GLU 26 2HG GLU 26 10.888 3.249 -7.092 234 H LEU 27 H LEU 27 6.169 1.690 -6.462 235 HA LEU 27 HA LEU 27 5.943 0.326 -4.009 236 HB2 LEU 27 1HB LEU 27 4.757 2.458 -4.848 237 HB3 LEU 27 2HB LEU 27 3.606 1.368 -5.591 238 HG LEU 27 HG LEU 27 2.913 2.323 -3.368 239 HD11 LEU 27 1HD1 LEU 27 3.134 -0.686 -3.484 240 HD12 LEU 27 2HD1 LEU 27 1.899 0.285 -4.287 241 HD13 LEU 27 3HD1 LEU 27 1.980 0.246 -2.526 242 HD21 LEU 27 3HD2 LEU 27 4.949 0.403 -2.253 243 HD22 LEU 27 1HD2 LEU 27 3.911 1.510 -1.358 244 HD23 LEU 27 2HD2 LEU 27 5.207 2.144 -2.369 245 H HIS 28 H HIS 28 4.484 -0.297 -7.203 246 HA HIS 28 HA HIS 28 2.913 -2.482 -6.332 247 HB2 HIS 28 1HB HIS 28 2.664 -1.106 -8.499 248 HB3 HIS 28 2HB HIS 28 3.901 -2.172 -9.160 249 HD1 HIS 28 HD1 HIS 28 3.226 -4.849 -8.971 250 HD2 HIS 28 HD2 HIS 28 0.165 -2.048 -8.750 251 HE1 HIS 28 HE1 HIS 28 1.073 -6.122 -9.317 252 H GLN 29 H GLN 29 6.184 -2.257 -7.625 253 HA GLN 29 HA GLN 29 6.668 -5.032 -7.852 254 HB2 GLN 29 1HB GLN 29 8.081 -2.964 -8.639 255 HB3 GLN 29 2HB GLN 29 8.800 -3.070 -7.040 256 HG2 GLN 29 1HG GLN 29 8.741 -5.363 -8.983 257 HG3 GLN 29 2HG GLN 29 10.062 -4.203 -8.877 258 HE21 GLN 29 1HE2 GLN 29 10.006 -7.095 -8.402 259 HE22 GLN 29 2HE2 GLN 29 10.604 -7.323 -6.793 260 H TYR 30 H TYR 30 7.097 -2.706 -5.246 261 HA TYR 30 HA TYR 30 8.169 -4.462 -3.319 262 HB2 TYR 30 1HB TYR 30 8.275 -1.980 -3.241 263 HB3 TYR 30 2HB TYR 30 6.549 -1.943 -2.914 264 HD1 TYR 30 HD1 TYR 30 9.657 -3.506 -1.535 265 HD2 TYR 30 HD2 TYR 30 5.889 -1.705 -0.723 266 HE1 TYR 30 HE1 TYR 30 10.132 -3.608 0.878 267 HE2 TYR 30 HE2 TYR 30 6.351 -1.807 1.689 268 HH TYR 30 HH TYR 30 7.750 -3.094 3.241 269 H ALA 31 H ALA 31 4.913 -3.766 -4.358 270 HA ALA 31 HA ALA 31 3.508 -4.817 -2.155 271 HB1 ALA 31 3HB ALA 31 2.429 -3.412 -3.836 272 HB2 ALA 31 1HB ALA 31 1.591 -4.957 -3.687 273 HB3 ALA 31 2HB ALA 31 2.667 -4.666 -5.054 274 H GLN 32 H GLN 32 4.578 -6.300 -5.191 275 HA GLN 32 HA GLN 32 3.412 -8.841 -4.590 276 HB2 GLN 32 1HB GLN 32 5.530 -8.102 -6.616 277 HB3 GLN 32 2HB GLN 32 4.691 -9.645 -6.542 278 HG2 GLN 32 1HG GLN 32 2.551 -8.425 -6.892 279 HG3 GLN 32 2HG GLN 32 3.490 -6.954 -7.148 280 HE21 GLN 32 1HE2 GLN 32 4.723 -6.744 -9.019 281 HE22 GLN 32 2HE2 GLN 32 4.490 -7.775 -10.384 282 H ARG 33 H ARG 33 6.321 -7.265 -3.748 283 HA ARG 33 HA ARG 33 7.912 -9.568 -3.209 284 HB2 ARG 33 1HB ARG 33 8.798 -7.257 -3.619 285 HB3 ARG 33 2HB ARG 33 8.168 -6.788 -2.046 286 HG2 ARG 33 1HG ARG 33 9.633 -8.441 -0.981 287 HG3 ARG 33 2HG ARG 33 10.282 -8.871 -2.565 288 HD2 ARG 33 1HD ARG 33 10.494 -6.211 -1.165 289 HD3 ARG 33 2HD ARG 33 11.798 -7.350 -1.493 290 HE ARG 33 HE ARG 33 10.358 -6.256 -3.787 291 HH11 ARG 33 1HH1 ARG 33 13.261 -6.321 -1.829 292 HH12 ARG 33 2HH1 ARG 33 14.200 -5.409 -2.972 293 HH21 ARG 33 1HH2 ARG 33 11.586 -5.052 -5.290 294 HH22 ARG 33 2HH2 ARG 33 13.260 -4.704 -4.944 295 H LEU 34 H LEU 34 5.456 -7.825 -1.489 296 HA LEU 34 HA LEU 34 6.153 -9.154 1.027 297 HB2 LEU 34 1HB LEU 34 4.286 -6.865 0.443 298 HB3 LEU 34 2HB LEU 34 4.488 -7.586 2.028 299 HG LEU 34 HG LEU 34 6.611 -6.136 0.445 300 HD11 LEU 34 1HD1 LEU 34 4.924 -4.675 1.423 301 HD12 LEU 34 2HD1 LEU 34 6.474 -4.497 2.244 302 HD13 LEU 34 3HD1 LEU 34 5.177 -5.424 3.000 303 HD21 LEU 34 3HD2 LEU 34 7.613 -7.948 1.709 304 HD22 LEU 34 1HD2 LEU 34 6.750 -7.442 3.162 305 HD23 LEU 34 2HD2 LEU 34 7.994 -6.401 2.467 306 H GLY 35 H GLY 35 3.871 -9.286 -1.525 307 HA2 GLY 35 1HA GLY 35 2.594 -11.362 -1.673 308 HA3 GLY 35 2HA GLY 35 2.317 -11.242 0.055 309 H LEU 36 H LEU 36 2.028 -8.689 -2.398 310 HA LEU 36 HA LEU 36 -0.736 -8.350 -1.470 311 HB2 LEU 36 1HB LEU 36 1.074 -6.315 -2.760 312 HB3 LEU 36 2HB LEU 36 -0.559 -6.029 -2.189 313 HG LEU 36 HG LEU 36 1.846 -6.683 -0.493 314 HD11 LEU 36 1HD1 LEU 36 0.098 -4.236 -0.686 315 HD12 LEU 36 2HD1 LEU 36 1.752 -4.385 -1.280 316 HD13 LEU 36 3HD1 LEU 36 1.427 -4.469 0.452 317 HD21 LEU 36 3HD2 LEU 36 0.330 -6.449 1.416 318 HD22 LEU 36 1HD2 LEU 36 -0.121 -7.809 0.389 319 HD23 LEU 36 2HD2 LEU 36 -1.034 -6.304 0.309 320 H ASN 37 H ASN 37 -2.056 -7.102 -3.065 321 HA ASN 37 HA ASN 37 -1.709 -7.845 -5.840 322 HB2 ASN 37 1HB ASN 37 -4.134 -8.706 -5.849 323 HB3 ASN 37 2HB ASN 37 -2.901 -9.782 -5.213 324 HD21 ASN 37 1HD2 ASN 37 -4.126 -7.045 -3.371 325 HD22 ASN 37 2HD2 ASN 37 -4.984 -7.994 -2.200 326 H GLU 38 H GLU 38 -3.427 -6.758 -7.186 327 HA GLU 38 HA GLU 38 -3.438 -4.023 -6.687 328 HB2 GLU 38 1HB GLU 38 -5.288 -5.648 -8.441 329 HB3 GLU 38 2HB GLU 38 -5.192 -3.895 -8.468 330 HG2 GLU 38 1HG GLU 38 -2.910 -3.985 -9.226 331 HG3 GLU 38 2HG GLU 38 -2.899 -5.746 -9.079 332 H GLU 39 H GLU 39 -5.720 -6.466 -5.748 333 HA GLU 39 HA GLU 39 -8.016 -5.138 -5.098 334 HB2 GLU 39 1HB GLU 39 -7.939 -7.470 -4.777 335 HB3 GLU 39 2HB GLU 39 -6.503 -7.370 -3.772 336 HG2 GLU 39 1HG GLU 39 -7.801 -6.439 -1.953 337 HG3 GLU 39 2HG GLU 39 -9.252 -6.444 -2.965 338 H ALA 40 H ALA 40 -5.161 -5.492 -3.037 339 HA ALA 40 HA ALA 40 -6.246 -3.743 -1.015 340 HB1 ALA 40 3HB ALA 40 -4.872 -5.655 -0.366 341 HB2 ALA 40 1HB ALA 40 -4.130 -4.142 0.158 342 HB3 ALA 40 2HB ALA 40 -3.506 -4.986 -1.259 343 H ILE 41 H ILE 41 -3.984 -3.561 -3.665 344 HA ILE 41 HA ILE 41 -2.644 -1.203 -2.869 345 HB ILE 41 HB ILE 41 -2.978 -2.322 -5.660 346 HG12 ILE 41 1HG1 ILE 41 -0.766 -2.789 -3.642 347 HG13 ILE 41 2HG1 ILE 41 -2.038 -3.947 -4.029 348 HG21 ILE 41 1HG2 ILE 41 -2.192 -0.006 -5.641 349 HG22 ILE 41 2HG2 ILE 41 -0.919 -1.107 -6.168 350 HG23 ILE 41 3HG2 ILE 41 -0.898 -0.454 -4.531 351 HD11 ILE 41 3HD1 ILE 41 -0.004 -2.891 -5.981 352 HD12 ILE 41 1HD1 ILE 41 -1.230 -4.120 -6.297 353 HD13 ILE 41 2HD1 ILE 41 0.077 -4.449 -5.156 354 H ARG 42 H ARG 42 -5.205 -1.742 -5.295 355 HA ARG 42 HA ARG 42 -5.484 0.986 -5.964 356 HB2 ARG 42 1HB ARG 42 -6.165 -0.946 -7.382 357 HB3 ARG 42 2HB ARG 42 -7.509 -1.170 -6.286 358 HG2 ARG 42 1HG ARG 42 -8.397 0.987 -6.843 359 HG3 ARG 42 2HG ARG 42 -7.019 1.305 -7.900 360 HD2 ARG 42 1HD ARG 42 -7.663 -0.612 -9.286 361 HD3 ARG 42 2HD ARG 42 -9.053 -0.893 -8.238 362 HE ARG 42 HE ARG 42 -9.386 1.682 -9.023 363 HH11 ARG 42 1HH1 ARG 42 -8.795 -1.301 -10.754 364 HH12 ARG 42 2HH1 ARG 42 -9.676 -0.816 -12.169 365 HH21 ARG 42 1HH2 ARG 42 -10.566 2.327 -10.881 366 HH22 ARG 42 2HH2 ARG 42 -10.714 1.239 -12.230 367 H GLN 43 H GLN 43 -7.152 -1.115 -3.688 368 HA GLN 43 HA GLN 43 -9.195 0.634 -2.903 369 HB2 GLN 43 1HB GLN 43 -9.092 -1.768 -2.327 370 HB3 GLN 43 2HB GLN 43 -7.745 -1.443 -1.248 371 HG2 GLN 43 1HG GLN 43 -9.796 -1.699 -0.006 372 HG3 GLN 43 2HG GLN 43 -9.191 -0.050 0.137 373 HE21 GLN 43 1HE2 GLN 43 -11.678 -2.091 -1.212 374 HE22 GLN 43 2HE2 GLN 43 -12.772 -0.805 -1.605 375 H PHE 44 H PHE 44 -5.864 0.293 -1.798 376 HA PHE 44 HA PHE 44 -6.076 2.089 0.392 377 HB2 PHE 44 1HB PHE 44 -4.292 0.277 -0.068 378 HB3 PHE 44 2HB PHE 44 -3.519 1.494 -1.078 379 HD1 PHE 44 HD1 PHE 44 -4.638 0.758 2.366 380 HD2 PHE 44 HD2 PHE 44 -2.184 3.188 -0.120 381 HE1 PHE 44 HE1 PHE 44 -3.524 1.663 4.362 382 HE2 PHE 44 HE2 PHE 44 -1.060 4.098 1.874 383 HZ PHE 44 HZ PHE 44 -1.731 3.337 4.121 384 H PHE 45 H PHE 45 -5.065 2.485 -2.987 385 HA PHE 45 HA PHE 45 -4.191 5.183 -2.528 386 HB2 PHE 45 1HB PHE 45 -4.363 3.431 -4.950 387 HB3 PHE 45 2HB PHE 45 -4.064 5.158 -5.126 388 HD1 PHE 45 HD1 PHE 45 -2.729 2.002 -3.782 389 HD2 PHE 45 HD2 PHE 45 -1.965 6.116 -4.544 390 HE1 PHE 45 HE1 PHE 45 -0.339 1.635 -3.347 391 HE2 PHE 45 HE2 PHE 45 0.432 5.756 -4.114 392 HZ PHE 45 HZ PHE 45 1.248 3.511 -3.514 393 H GLU 46 H GLU 46 -6.930 3.775 -4.398 394 HA GLU 46 HA GLU 46 -7.785 6.388 -5.193 395 HB2 GLU 46 1HB GLU 46 -9.142 3.712 -5.442 396 HB3 GLU 46 2HB GLU 46 -9.787 5.204 -6.109 397 HG2 GLU 46 1HG GLU 46 -7.458 5.357 -7.268 398 HG3 GLU 46 2HG GLU 46 -7.409 3.624 -6.944 399 H GLU 47 H GLU 47 -8.703 4.204 -2.609 400 HA GLU 47 HA GLU 47 -10.673 6.210 -1.732 401 HB2 GLU 47 1HB GLU 47 -11.286 3.695 -2.132 402 HB3 GLU 47 2HB GLU 47 -10.503 3.447 -0.577 403 HG2 GLU 47 1HG GLU 47 -12.050 4.959 0.488 404 HG3 GLU 47 2HG GLU 47 -12.792 5.338 -1.066 405 H PHE 48 H PHE 48 -7.968 6.585 -1.519 406 HA PHE 48 HA PHE 48 -6.487 5.742 0.583 407 HB2 PHE 48 1HB PHE 48 -5.973 7.400 -1.324 408 HB3 PHE 48 2HB PHE 48 -6.532 8.646 -0.228 409 HD1 PHE 48 HD1 PHE 48 -4.304 5.660 0.071 410 HD2 PHE 48 HD2 PHE 48 -4.823 9.842 0.678 411 HE1 PHE 48 HE1 PHE 48 -2.027 5.810 0.986 412 HE2 PHE 48 HE2 PHE 48 -2.549 9.993 1.604 413 HZ PHE 48 HZ PHE 48 -1.150 7.976 1.754 414 H GLU 49 H GLU 49 -8.137 8.883 0.774 415 HA GLU 49 HA GLU 49 -9.626 8.770 2.996 416 HB2 GLU 49 1HB GLU 49 -8.198 9.510 4.878 417 HB3 GLU 49 2HB GLU 49 -7.776 7.897 4.327 418 HG2 GLU 49 1HG GLU 49 -5.879 8.870 3.067 419 HG3 GLU 49 2HG GLU 49 -6.285 10.448 3.741 420 H GLN 50 H GLN 50 -7.120 10.462 1.312 421 HA GLN 50 HA GLN 50 -8.217 13.076 2.005 422 HB2 GLN 50 1HB GLN 50 -5.771 12.316 0.390 423 HB3 GLN 50 2HB GLN 50 -6.209 13.949 0.877 424 HG2 GLN 50 1HG GLN 50 -5.836 13.461 3.165 425 HG3 GLN 50 2HG GLN 50 -5.698 11.735 2.843 426 HE21 GLN 50 1HE2 GLN 50 -4.224 14.156 0.801 427 HE22 GLN 50 2HE2 GLN 50 -2.591 13.789 1.232 428 H ARG 51 H ARG 51 -9.170 10.839 0.050 429 HA ARG 51 HA ARG 51 -9.834 12.650 -2.162 430 HB2 ARG 51 1HB ARG 51 -9.191 9.720 -2.509 431 HB3 ARG 51 2HB ARG 51 -9.478 10.904 -3.778 432 HG2 ARG 51 1HG ARG 51 -7.412 12.029 -3.235 433 HG3 ARG 51 2HG ARG 51 -7.148 10.934 -1.876 434 HD2 ARG 51 1HD ARG 51 -7.160 9.047 -3.513 435 HD3 ARG 51 2HD ARG 51 -7.184 10.247 -4.804 436 HE ARG 51 HE ARG 51 -5.039 10.707 -2.980 437 HH11 ARG 51 1HH1 ARG 51 -6.066 8.837 -5.748 438 HH12 ARG 51 2HH1 ARG 51 -4.454 8.377 -6.210 439 HH21 ARG 51 1HH2 ARG 51 -2.892 10.145 -3.598 440 HH22 ARG 51 2HH2 ARG 51 -2.645 9.131 -4.993 441 H LYS 52 H LYS 52 -11.962 12.639 -2.634 442 HA LYS 52 HA LYS 52 -13.685 10.426 -2.193 443 HB2 LYS 52 1HB LYS 52 -15.069 11.513 -0.398 444 HB3 LYS 52 2HB LYS 52 -13.486 10.966 0.138 445 HG2 LYS 52 1HG LYS 52 -12.639 13.166 0.216 446 HG3 LYS 52 2HG LYS 52 -14.006 13.808 -0.694 447 HD2 LYS 52 1HD LYS 52 -14.051 12.707 2.114 448 HD3 LYS 52 2HD LYS 52 -14.257 14.392 1.634 449 HE2 LYS 52 1HE LYS 52 -16.111 12.081 1.103 450 HE3 LYS 52 2HE LYS 52 -16.424 13.507 2.089 451 HZ1 LYS 52 3HZ LYS 52 -16.049 13.471 -0.863 452 HZ2 LYS 52 1HZ LYS 52 -16.315 14.863 0.074 453 HZ3 LYS 52 2HZ LYS 52 -17.522 13.678 -0.043 Start of MODEL 23 1 H1 MET 1 1H MET 1 -12.583 -9.443 1.947 2 H2 MET 1 2H MET 1 -12.433 -7.868 2.553 3 H3 MET 1 3H MET 1 -13.774 -8.812 2.978 4 HA MET 1 HA MET 1 -12.162 -8.672 4.776 5 HB2 MET 1 1HB MET 1 -13.582 -10.668 4.591 6 HB3 MET 1 2HB MET 1 -12.416 -11.411 3.502 7 HG2 MET 1 1HG MET 1 -12.209 -12.332 5.727 8 HG3 MET 1 2HG MET 1 -10.754 -11.438 5.291 9 HE1 MET 1 3HE MET 1 -11.207 -12.264 8.234 10 HE2 MET 1 1HE MET 1 -10.880 -10.769 9.109 11 HE3 MET 1 2HE MET 1 -9.867 -11.230 7.739 12 H LYS 2 H LYS 2 -10.853 -10.696 2.136 13 HA LYS 2 HA LYS 2 -8.172 -10.316 3.201 14 HB2 LYS 2 1HB LYS 2 -9.125 -11.918 0.819 15 HB3 LYS 2 2HB LYS 2 -7.509 -11.963 1.509 16 HG2 LYS 2 1HG LYS 2 -8.385 -12.902 3.567 17 HG3 LYS 2 2HG LYS 2 -10.030 -12.795 2.934 18 HD2 LYS 2 1HD LYS 2 -7.802 -14.441 1.740 19 HD3 LYS 2 2HD LYS 2 -9.101 -15.068 2.754 20 HE2 LYS 2 1HE LYS 2 -10.747 -14.351 1.100 21 HE3 LYS 2 2HE LYS 2 -9.458 -13.691 0.096 22 HZ1 LYS 2 3HZ LYS 2 -8.560 -15.889 -0.190 23 HZ2 LYS 2 1HZ LYS 2 -10.193 -15.887 -0.645 24 HZ3 LYS 2 2HZ LYS 2 -9.730 -16.552 0.843 25 H GLN 3 H GLN 3 -7.072 -8.555 2.617 26 HA GLN 3 HA GLN 3 -7.287 -7.698 -0.202 27 HB2 GLN 3 1HB GLN 3 -7.141 -5.869 2.204 28 HB3 GLN 3 2HB GLN 3 -7.034 -5.343 0.533 29 HG2 GLN 3 1HG GLN 3 -9.320 -6.267 0.171 30 HG3 GLN 3 2HG GLN 3 -9.409 -6.572 1.906 31 HE21 GLN 3 1HE2 GLN 3 -9.405 -4.165 -0.595 32 HE22 GLN 3 2HE2 GLN 3 -9.872 -2.833 0.406 33 H TRP 4 H TRP 4 -5.417 -7.054 2.740 34 HA TRP 4 HA TRP 4 -2.940 -7.279 1.161 35 HB2 TRP 4 1HB TRP 4 -2.879 -6.454 4.025 36 HB3 TRP 4 2HB TRP 4 -1.880 -5.908 2.695 37 HD1 TRP 4 HD1 TRP 4 -5.693 -5.487 3.332 38 HE1 TRP 4 HE1 TRP 4 -6.249 -2.972 3.168 39 HE3 TRP 4 HE3 TRP 4 -1.008 -3.716 2.485 40 HZ2 TRP 4 HZ2 TRP 4 -4.853 -0.562 2.742 41 HZ3 TRP 4 HZ3 TRP 4 -0.690 -1.296 2.229 42 HH2 TRP 4 HH2 TRP 4 -2.568 0.246 2.354 43 H SER 5 H SER 5 -1.111 -8.168 2.735 44 HA SER 5 HA SER 5 -2.105 -10.350 4.367 45 HB2 SER 5 1HB SER 5 -0.007 -10.790 3.247 46 HB3 SER 5 2HB SER 5 0.683 -9.280 3.839 47 HG SER 5 HG SER 5 0.036 -11.618 5.317 48 H GLU 6 H GLU 6 -2.497 -10.096 6.512 49 HA GLU 6 HA GLU 6 -3.053 -7.787 7.758 50 HB2 GLU 6 1HB GLU 6 -3.498 -9.983 8.731 51 HB3 GLU 6 2HB GLU 6 -1.791 -10.178 9.103 52 HG2 GLU 6 1HG GLU 6 -1.935 -8.196 10.580 53 HG3 GLU 6 2HG GLU 6 -3.670 -8.145 10.275 54 H ASN 7 H ASN 7 0.211 -9.228 7.821 55 HA ASN 7 HA ASN 7 1.348 -7.245 9.513 56 HB2 ASN 7 1HB ASN 7 2.627 -9.158 7.561 57 HB3 ASN 7 2HB ASN 7 3.536 -8.129 8.661 58 HD21 ASN 7 1HD2 ASN 7 3.372 -11.038 8.420 59 HD22 ASN 7 2HD2 ASN 7 2.924 -11.610 9.993 60 H VAL 8 H VAL 8 0.719 -7.392 6.134 61 HA VAL 8 HA VAL 8 2.659 -5.426 5.360 62 HB VAL 8 HB VAL 8 0.266 -6.482 3.850 63 HG11 VAL 8 1HG1 VAL 8 2.673 -4.969 2.850 64 HG12 VAL 8 2HG1 VAL 8 1.045 -4.316 3.031 65 HG13 VAL 8 3HG1 VAL 8 1.353 -5.604 1.870 66 HG21 VAL 8 3HG2 VAL 8 1.943 -7.856 2.658 67 HG22 VAL 8 1HG2 VAL 8 1.807 -8.264 4.368 68 HG23 VAL 8 2HG2 VAL 8 3.170 -7.301 3.796 69 H GLU 9 H GLU 9 -0.741 -5.464 6.202 70 HA GLU 9 HA GLU 9 -1.606 -2.999 5.319 71 HB2 GLU 9 1HB GLU 9 -2.237 -4.294 7.979 72 HB3 GLU 9 2HB GLU 9 -3.227 -3.095 7.154 73 HG2 GLU 9 1HG GLU 9 -3.564 -4.693 5.307 74 HG3 GLU 9 2HG GLU 9 -2.634 -5.891 6.205 75 H GLU 10 H GLU 10 0.081 -3.824 8.284 76 HA GLU 10 HA GLU 10 0.290 -1.215 9.328 77 HB2 GLU 10 1HB GLU 10 0.597 -2.819 10.939 78 HB3 GLU 10 2HB GLU 10 1.500 -3.885 9.871 79 HG2 GLU 10 1HG GLU 10 3.471 -2.540 10.110 80 HG3 GLU 10 2HG GLU 10 2.582 -1.328 11.038 81 H LYS 11 H LYS 11 2.509 -3.197 7.390 82 HA LYS 11 HA LYS 11 4.662 -1.357 7.719 83 HB2 LYS 11 1HB LYS 11 4.993 -3.778 7.480 84 HB3 LYS 11 2HB LYS 11 4.419 -3.690 5.823 85 HG2 LYS 11 1HG LYS 11 6.300 -2.465 5.118 86 HG3 LYS 11 2HG LYS 11 6.785 -2.109 6.774 87 HD2 LYS 11 1HD LYS 11 6.731 -4.885 5.591 88 HD3 LYS 11 2HD LYS 11 8.168 -3.865 5.649 89 HE2 LYS 11 1HE LYS 11 7.833 -3.731 8.144 90 HE3 LYS 11 2HE LYS 11 6.602 -4.980 7.968 91 HZ1 LYS 11 3HZ LYS 11 8.280 -6.448 7.022 92 HZ2 LYS 11 1HZ LYS 11 8.721 -5.934 8.578 93 HZ3 LYS 11 2HZ LYS 11 9.463 -5.246 7.217 94 H LEU 12 H LEU 12 2.344 -1.973 5.085 95 HA LEU 12 HA LEU 12 3.722 -0.252 3.260 96 HB2 LEU 12 1HB LEU 12 2.146 -2.009 2.504 97 HB3 LEU 12 2HB LEU 12 0.821 -1.074 3.163 98 HG LEU 12 HG LEU 12 1.292 0.739 1.587 99 HD11 LEU 12 1HD1 LEU 12 3.693 0.470 1.385 100 HD12 LEU 12 2HD1 LEU 12 2.939 0.407 -0.209 101 HD13 LEU 12 3HD1 LEU 12 3.474 -1.081 0.576 102 HD21 LEU 12 3HD2 LEU 12 1.127 -1.927 0.193 103 HD22 LEU 12 1HD2 LEU 12 0.607 -0.370 -0.449 104 HD23 LEU 12 2HD2 LEU 12 -0.232 -1.080 0.929 105 H LYS 13 H LYS 13 1.180 0.192 5.641 106 HA LYS 13 HA LYS 13 0.372 2.780 5.153 107 HB2 LYS 13 1HB LYS 13 -0.505 1.500 7.030 108 HB3 LYS 13 2HB LYS 13 1.074 1.491 7.800 109 HG2 LYS 13 1HG LYS 13 0.840 4.068 7.764 110 HG3 LYS 13 2HG LYS 13 -0.872 3.738 7.509 111 HD2 LYS 13 1HD LYS 13 -0.573 4.009 9.846 112 HD3 LYS 13 2HD LYS 13 -0.802 2.285 9.558 113 HE2 LYS 13 1HE LYS 13 1.602 1.922 9.722 114 HE3 LYS 13 2HE LYS 13 1.876 3.650 9.947 115 HZ1 LYS 13 3HZ LYS 13 0.466 3.478 11.977 116 HZ2 LYS 13 1HZ LYS 13 1.924 2.613 12.067 117 HZ3 LYS 13 2HZ LYS 13 0.469 1.791 11.788 118 H GLU 14 H GLU 14 3.251 1.651 6.826 119 HA GLU 14 HA GLU 14 4.265 4.264 7.360 120 HB2 GLU 14 1HB GLU 14 5.619 1.568 7.490 121 HB3 GLU 14 2HB GLU 14 6.211 3.061 8.217 122 HG2 GLU 14 1HG GLU 14 4.214 3.168 9.620 123 HG3 GLU 14 2HG GLU 14 3.638 1.662 8.909 124 H PHE 15 H PHE 15 4.666 1.942 4.787 125 HA PHE 15 HA PHE 15 7.042 3.080 3.707 126 HB2 PHE 15 1HB PHE 15 5.945 0.745 3.300 127 HB3 PHE 15 2HB PHE 15 5.040 1.583 2.055 128 HD1 PHE 15 HD1 PHE 15 8.586 1.746 3.180 129 HD2 PHE 15 HD2 PHE 15 5.915 1.029 -0.066 130 HE1 PHE 15 HE1 PHE 15 10.494 1.471 1.658 131 HE2 PHE 15 HE2 PHE 15 7.820 0.760 -1.577 132 HZ PHE 15 HZ PHE 15 10.115 0.979 -0.719 133 H VAL 16 H VAL 16 3.661 3.770 3.438 134 HA VAL 16 HA VAL 16 4.080 5.665 1.267 135 HB VAL 16 HB VAL 16 1.570 5.060 2.847 136 HG11 VAL 16 1HG1 VAL 16 0.388 6.267 1.093 137 HG12 VAL 16 2HG1 VAL 16 1.916 6.624 0.288 138 HG13 VAL 16 3HG1 VAL 16 1.570 7.318 1.873 139 HG21 VAL 16 3HG2 VAL 16 2.381 3.157 1.515 140 HG22 VAL 16 1HG2 VAL 16 2.378 4.178 0.078 141 HG23 VAL 16 2HG2 VAL 16 0.862 3.799 0.893 142 H LYS 17 H LYS 17 3.116 5.764 4.704 143 HA LYS 17 HA LYS 17 2.842 8.614 4.678 144 HB2 LYS 17 1HB LYS 17 2.859 6.638 6.954 145 HB3 LYS 17 2HB LYS 17 2.543 8.355 7.146 146 HG2 LYS 17 1HG LYS 17 0.899 6.446 5.502 147 HG3 LYS 17 2HG LYS 17 0.491 7.041 7.111 148 HD2 LYS 17 1HD LYS 17 0.590 9.370 6.139 149 HD3 LYS 17 2HD LYS 17 0.680 8.609 4.548 150 HE2 LYS 17 1HE LYS 17 -1.609 9.170 4.983 151 HE3 LYS 17 2HE LYS 17 -1.442 7.418 5.067 152 HZ1 LYS 17 3HZ LYS 17 -2.786 8.157 6.887 153 HZ2 LYS 17 1HZ LYS 17 -1.618 9.296 7.364 154 HZ3 LYS 17 2HZ LYS 17 -1.298 7.641 7.513 155 H ARG 18 H ARG 18 5.099 6.502 6.495 156 HA ARG 18 HA ARG 18 6.637 8.893 7.119 157 HB2 ARG 18 1HB ARG 18 7.775 7.477 8.790 158 HB3 ARG 18 2HB ARG 18 6.033 7.531 9.011 159 HG2 ARG 18 1HG ARG 18 5.909 5.347 7.792 160 HG3 ARG 18 2HG ARG 18 7.668 5.296 7.864 161 HD2 ARG 18 1HD ARG 18 5.746 5.352 10.195 162 HD3 ARG 18 2HD ARG 18 6.764 4.001 9.697 163 HE ARG 18 HE ARG 18 8.092 6.492 10.469 164 HH11 ARG 18 1HH1 ARG 18 7.225 3.200 11.303 165 HH12 ARG 18 2HH1 ARG 18 8.389 3.098 12.593 166 HH21 ARG 18 1HH2 ARG 18 9.630 6.345 12.146 167 HH22 ARG 18 2HH2 ARG 18 9.755 4.873 13.073 168 H HIS 19 H HIS 19 6.644 7.528 4.490 169 HA HIS 19 HA HIS 19 9.564 7.408 4.258 170 HB2 HIS 19 1HB HIS 19 7.536 5.553 3.074 171 HB3 HIS 19 2HB HIS 19 9.002 5.903 2.168 172 HD1 HIS 19 HD1 HIS 19 7.872 4.292 5.404 173 HD2 HIS 19 HD2 HIS 19 11.245 4.625 3.002 174 HE1 HIS 19 HE1 HIS 19 9.562 2.644 6.318 175 H GLN 20 H GLN 20 9.584 7.265 1.424 176 HA GLN 20 HA GLN 20 9.207 10.067 0.897 177 HB2 GLN 20 1HB GLN 20 10.332 9.565 -1.243 178 HB3 GLN 20 2HB GLN 20 11.240 9.000 0.152 179 HG2 GLN 20 1HG GLN 20 10.615 6.747 -0.242 180 HG3 GLN 20 2HG GLN 20 9.422 7.231 -1.446 181 HE21 GLN 20 1HE2 GLN 20 10.407 5.843 -2.965 182 HE22 GLN 20 2HE2 GLN 20 11.877 6.291 -3.758 183 H ARG 21 H ARG 21 6.851 8.122 1.059 184 HA ARG 21 HA ARG 21 4.767 8.010 0.166 185 HB2 ARG 21 1HB ARG 21 5.835 9.973 -1.865 186 HB3 ARG 21 2HB ARG 21 4.170 9.422 -1.813 187 HG2 ARG 21 1HG ARG 21 3.883 10.426 0.382 188 HG3 ARG 21 2HG ARG 21 5.574 10.946 0.373 189 HD2 ARG 21 1HD ARG 21 5.177 12.329 -1.564 190 HD3 ARG 21 2HD ARG 21 3.521 11.742 -1.682 191 HE ARG 21 HE ARG 21 4.025 12.975 0.845 192 HH11 ARG 21 1HH1 ARG 21 3.391 13.637 -2.532 193 HH12 ARG 21 2HH1 ARG 21 2.619 15.164 -2.223 194 HH21 ARG 21 1HH2 ARG 21 3.029 15.027 1.249 195 HH22 ARG 21 2HH2 ARG 21 2.432 15.950 -0.098 196 H ILE 22 H ILE 22 7.456 7.753 -2.052 197 HA ILE 22 HA ILE 22 8.090 6.238 -3.562 198 HB ILE 22 HB ILE 22 7.706 4.007 -3.274 199 HG12 ILE 22 1HG1 ILE 22 4.965 4.932 -2.866 200 HG13 ILE 22 2HG1 ILE 22 5.520 3.495 -3.706 201 HG21 ILE 22 1HG2 ILE 22 6.888 5.222 -0.636 202 HG22 ILE 22 2HG2 ILE 22 8.544 4.992 -1.203 203 HG23 ILE 22 3HG2 ILE 22 7.522 3.593 -0.871 204 HD11 ILE 22 3HD1 ILE 22 5.811 2.359 -1.555 205 HD12 ILE 22 1HD1 ILE 22 4.151 2.904 -1.795 206 HD13 ILE 22 2HD1 ILE 22 5.226 3.799 -0.721 207 H THR 23 H THR 23 7.425 4.889 -5.475 208 HA THR 23 HA THR 23 5.114 6.173 -6.758 209 HB THR 23 HB THR 23 6.202 5.512 -8.906 210 HG1 THR 23 HG1 THR 23 8.474 4.927 -8.726 211 HG21 THR 23 3HG2 THR 23 7.879 7.231 -7.075 212 HG22 THR 23 1HG2 THR 23 6.504 7.769 -8.038 213 HG23 THR 23 2HG2 THR 23 7.976 7.214 -8.836 214 H GLN 24 H GLN 24 4.034 4.757 -8.441 215 HA GLN 24 HA GLN 24 3.039 2.400 -7.262 216 HB2 GLN 24 1HB GLN 24 2.132 3.937 -9.198 217 HB3 GLN 24 2HB GLN 24 2.998 2.813 -10.232 218 HG2 GLN 24 1HG GLN 24 0.958 1.925 -8.218 219 HG3 GLN 24 2HG GLN 24 0.533 2.378 -9.868 220 HE21 GLN 24 1HE2 GLN 24 1.407 1.112 -11.590 221 HE22 GLN 24 2HE2 GLN 24 1.799 -0.554 -11.327 222 H GLU 25 H GLU 25 5.489 2.972 -9.711 223 HA GLU 25 HA GLU 25 6.229 0.433 -10.465 224 HB2 GLU 25 1HB GLU 25 7.164 2.505 -11.383 225 HB3 GLU 25 2HB GLU 25 7.997 2.810 -9.867 226 HG2 GLU 25 1HG GLU 25 9.288 0.719 -10.229 227 HG3 GLU 25 2HG GLU 25 8.529 0.584 -11.817 228 H GLU 26 H GLU 26 7.599 2.303 -7.771 229 HA GLU 26 HA GLU 26 9.211 0.185 -6.799 230 HB2 GLU 26 1HB GLU 26 9.800 2.495 -6.379 231 HB3 GLU 26 2HB GLU 26 8.293 2.763 -5.516 232 HG2 GLU 26 1HG GLU 26 8.987 1.437 -3.697 233 HG3 GLU 26 2HG GLU 26 10.351 0.781 -4.602 234 H LEU 27 H LEU 27 5.981 1.320 -6.066 235 HA LEU 27 HA LEU 27 5.696 -0.121 -3.645 236 HB2 LEU 27 1HB LEU 27 4.342 1.886 -4.413 237 HB3 LEU 27 2HB LEU 27 3.453 0.788 -5.453 238 HG LEU 27 HG LEU 27 3.618 0.258 -2.493 239 HD11 LEU 27 1HD1 LEU 27 1.519 1.507 -2.221 240 HD12 LEU 27 2HD1 LEU 27 1.667 2.091 -3.878 241 HD13 LEU 27 3HD1 LEU 27 2.866 2.553 -2.672 242 HD21 LEU 27 3HD2 LEU 27 1.491 -0.320 -4.551 243 HD22 LEU 27 1HD2 LEU 27 1.515 -0.876 -2.880 244 HD23 LEU 27 2HD2 LEU 27 2.721 -1.466 -4.024 245 H HIS 28 H HIS 28 4.745 -0.838 -7.003 246 HA HIS 28 HA HIS 28 3.261 -3.145 -6.370 247 HB2 HIS 28 1HB HIS 28 3.477 -1.776 -8.620 248 HB3 HIS 28 2HB HIS 28 4.696 -2.996 -8.981 249 HD1 HIS 28 HD1 HIS 28 3.572 -5.604 -8.297 250 HD2 HIS 28 HD2 HIS 28 1.111 -2.517 -9.604 251 HE1 HIS 28 HE1 HIS 28 1.424 -6.687 -9.069 252 H GLN 29 H GLN 29 6.679 -2.686 -7.091 253 HA GLN 29 HA GLN 29 7.383 -5.427 -7.128 254 HB2 GLN 29 1HB GLN 29 8.897 -3.781 -8.028 255 HB3 GLN 29 2HB GLN 29 8.993 -2.953 -6.482 256 HG2 GLN 29 1HG GLN 29 10.995 -4.262 -6.954 257 HG3 GLN 29 2HG GLN 29 10.163 -4.829 -5.507 258 HE21 GLN 29 1HE2 GLN 29 9.047 -5.534 -8.749 259 HE22 GLN 29 2HE2 GLN 29 9.409 -7.230 -8.702 260 H TYR 30 H TYR 30 7.306 -2.992 -4.584 261 HA TYR 30 HA TYR 30 8.248 -4.603 -2.475 262 HB2 TYR 30 1HB TYR 30 8.009 -2.060 -2.575 263 HB3 TYR 30 2HB TYR 30 6.305 -2.306 -2.223 264 HD1 TYR 30 HD1 TYR 30 9.638 -3.337 -0.872 265 HD2 TYR 30 HD2 TYR 30 5.653 -2.116 -0.019 266 HE1 TYR 30 HE1 TYR 30 10.163 -3.322 1.528 267 HE2 TYR 30 HE2 TYR 30 6.170 -2.103 2.387 268 HH TYR 30 HH TYR 30 7.783 -3.151 3.923 269 H ALA 31 H ALA 31 5.105 -4.117 -3.907 270 HA ALA 31 HA ALA 31 3.518 -5.354 -1.941 271 HB1 ALA 31 3HB ALA 31 1.833 -5.548 -3.740 272 HB2 ALA 31 1HB ALA 31 3.058 -5.058 -4.909 273 HB3 ALA 31 2HB ALA 31 2.547 -3.939 -3.647 274 H GLN 32 H GLN 32 5.098 -6.621 -4.843 275 HA GLN 32 HA GLN 32 3.999 -9.238 -4.603 276 HB2 GLN 32 1HB GLN 32 6.415 -8.222 -6.101 277 HB3 GLN 32 2HB GLN 32 5.781 -9.855 -6.241 278 HG2 GLN 32 1HG GLN 32 3.695 -8.997 -7.123 279 HG3 GLN 32 2HG GLN 32 4.265 -7.342 -6.921 280 HE21 GLN 32 1HE2 GLN 32 6.345 -9.936 -8.003 281 HE22 GLN 32 2HE2 GLN 32 6.515 -9.372 -9.632 282 H ARG 33 H ARG 33 6.760 -7.628 -3.279 283 HA ARG 33 HA ARG 33 8.174 -9.930 -2.417 284 HB2 ARG 33 1HB ARG 33 9.249 -7.744 -2.657 285 HB3 ARG 33 2HB ARG 33 8.222 -7.081 -1.397 286 HG2 ARG 33 1HG ARG 33 10.354 -7.479 -0.447 287 HG3 ARG 33 2HG ARG 33 9.260 -8.706 0.194 288 HD2 ARG 33 1HD ARG 33 11.502 -9.573 -0.469 289 HD3 ARG 33 2HD ARG 33 10.154 -10.369 -1.275 290 HE ARG 33 HE ARG 33 10.700 -9.168 -3.282 291 HH11 ARG 33 1HH1 ARG 33 13.036 -8.880 -0.694 292 HH12 ARG 33 2HH1 ARG 33 14.331 -8.365 -1.733 293 HH21 ARG 33 1HH2 ARG 33 12.425 -8.570 -4.674 294 HH22 ARG 33 2HH2 ARG 33 13.991 -8.237 -4.004 295 H LEU 34 H LEU 34 5.623 -7.969 -1.028 296 HA LEU 34 HA LEU 34 5.863 -9.317 1.537 297 HB2 LEU 34 1HB LEU 34 4.038 -7.101 0.614 298 HB3 LEU 34 2HB LEU 34 4.086 -7.745 2.244 299 HG LEU 34 HG LEU 34 6.320 -6.286 0.833 300 HD11 LEU 34 1HD1 LEU 34 4.640 -5.517 3.213 301 HD12 LEU 34 2HD1 LEU 34 4.495 -4.845 1.589 302 HD13 LEU 34 3HD1 LEU 34 5.966 -4.580 2.527 303 HD21 LEU 34 3HD2 LEU 34 7.511 -6.451 2.972 304 HD22 LEU 34 1HD2 LEU 34 7.223 -8.036 2.252 305 HD23 LEU 34 2HD2 LEU 34 6.226 -7.484 3.598 306 H GLY 35 H GLY 35 3.679 -9.203 -1.221 307 HA2 GLY 35 1HA GLY 35 2.460 -11.325 -1.611 308 HA3 GLY 35 2HA GLY 35 2.071 -11.305 0.104 309 H LEU 36 H LEU 36 1.991 -8.648 -2.227 310 HA LEU 36 HA LEU 36 -0.784 -8.177 -1.415 311 HB2 LEU 36 1HB LEU 36 1.242 -6.320 -2.638 312 HB3 LEU 36 2HB LEU 36 -0.429 -5.894 -2.328 313 HG LEU 36 HG LEU 36 1.623 -6.628 -0.244 314 HD11 LEU 36 1HD1 LEU 36 1.930 -4.406 -1.233 315 HD12 LEU 36 2HD1 LEU 36 1.398 -4.306 0.445 316 HD13 LEU 36 3HD1 LEU 36 0.252 -4.015 -0.864 317 HD21 LEU 36 3HD2 LEU 36 -1.263 -5.798 0.065 318 HD22 LEU 36 1HD2 LEU 36 -0.112 -6.078 1.372 319 HD23 LEU 36 2HD2 LEU 36 -0.620 -7.417 0.342 320 H ASN 37 H ASN 37 -1.898 -6.783 -3.127 321 HA ASN 37 HA ASN 37 -1.553 -7.586 -5.864 322 HB2 ASN 37 1HB ASN 37 -3.709 -8.632 -6.155 323 HB3 ASN 37 2HB ASN 37 -2.867 -9.487 -4.873 324 HD21 ASN 37 1HD2 ASN 37 -3.502 -7.194 -2.980 325 HD22 ASN 37 2HD2 ASN 37 -5.144 -7.495 -2.529 326 H GLU 38 H GLU 38 -3.295 -6.418 -7.223 327 HA GLU 38 HA GLU 38 -3.080 -3.712 -6.563 328 HB2 GLU 38 1HB GLU 38 -4.808 -5.117 -8.582 329 HB3 GLU 38 2HB GLU 38 -4.772 -3.366 -8.427 330 HG2 GLU 38 1HG GLU 38 -2.282 -3.499 -8.763 331 HG3 GLU 38 2HG GLU 38 -2.514 -5.194 -9.190 332 H GLU 39 H GLU 39 -5.449 -5.979 -5.571 333 HA GLU 39 HA GLU 39 -7.670 -4.394 -5.035 334 HB2 GLU 39 1HB GLU 39 -7.704 -6.800 -4.751 335 HB3 GLU 39 2HB GLU 39 -6.488 -6.702 -3.484 336 HG2 GLU 39 1HG GLU 39 -8.678 -7.104 -2.542 337 HG3 GLU 39 2HG GLU 39 -8.076 -5.521 -2.052 338 H ALA 40 H ALA 40 -4.948 -5.167 -2.894 339 HA ALA 40 HA ALA 40 -5.755 -3.253 -0.909 340 HB1 ALA 40 3HB ALA 40 -3.737 -3.910 0.266 341 HB2 ALA 40 1HB ALA 40 -3.155 -4.763 -1.162 342 HB3 ALA 40 2HB ALA 40 -4.589 -5.340 -0.315 343 H ILE 41 H ILE 41 -3.428 -3.416 -3.516 344 HA ILE 41 HA ILE 41 -1.798 -1.269 -2.782 345 HB ILE 41 HB ILE 41 -2.415 -2.321 -5.537 346 HG12 ILE 41 1HG1 ILE 41 -0.120 -2.917 -3.657 347 HG13 ILE 41 2HG1 ILE 41 -1.473 -3.997 -3.998 348 HG21 ILE 41 1HG2 ILE 41 -0.334 -1.259 -6.240 349 HG22 ILE 41 2HG2 ILE 41 -0.141 -0.565 -4.629 350 HG23 ILE 41 3HG2 ILE 41 -1.493 -0.071 -5.648 351 HD11 ILE 41 3HD1 ILE 41 0.558 -3.049 -6.013 352 HD12 ILE 41 1HD1 ILE 41 -0.768 -4.172 -6.313 353 HD13 ILE 41 2HD1 ILE 41 0.542 -4.626 -5.223 354 H ARG 42 H ARG 42 -4.521 -1.383 -5.069 355 HA ARG 42 HA ARG 42 -4.320 1.395 -5.669 356 HB2 ARG 42 1HB ARG 42 -5.192 -0.510 -7.158 357 HB3 ARG 42 2HB ARG 42 -6.681 -0.286 -6.269 358 HG2 ARG 42 1HG ARG 42 -6.787 2.024 -6.963 359 HG3 ARG 42 2HG ARG 42 -5.296 1.817 -7.886 360 HD2 ARG 42 1HD ARG 42 -7.933 0.429 -8.340 361 HD3 ARG 42 2HD ARG 42 -7.180 1.645 -9.370 362 HE ARG 42 HE ARG 42 -5.313 -0.288 -9.350 363 HH11 ARG 42 1HH1 ARG 42 -8.786 -0.387 -9.872 364 HH12 ARG 42 2HH1 ARG 42 -8.708 -1.739 -10.964 365 HH21 ARG 42 1HH2 ARG 42 -5.227 -2.091 -10.787 366 HH22 ARG 42 2HH2 ARG 42 -6.707 -2.689 -11.484 367 H GLN 43 H GLN 43 -6.186 -0.553 -3.471 368 HA GLN 43 HA GLN 43 -8.278 1.162 -2.848 369 HB2 GLN 43 1HB GLN 43 -8.087 -1.158 -2.022 370 HB3 GLN 43 2HB GLN 43 -6.776 -0.665 -0.960 371 HG2 GLN 43 1HG GLN 43 -8.580 -0.696 0.464 372 HG3 GLN 43 2HG GLN 43 -8.502 1.002 0.004 373 HE21 GLN 43 1HE2 GLN 43 -9.612 0.331 -2.699 374 HE22 GLN 43 2HE2 GLN 43 -11.307 0.097 -2.436 375 H PHE 44 H PHE 44 -4.973 1.090 -1.630 376 HA PHE 44 HA PHE 44 -5.327 2.968 0.453 377 HB2 PHE 44 1HB PHE 44 -3.384 1.262 -0.096 378 HB3 PHE 44 2HB PHE 44 -2.695 2.648 -0.932 379 HD1 PHE 44 HD1 PHE 44 -3.927 1.457 2.331 380 HD2 PHE 44 HD2 PHE 44 -1.585 4.354 0.281 381 HE1 PHE 44 HE1 PHE 44 -3.038 2.238 4.480 382 HE2 PHE 44 HE2 PHE 44 -0.692 5.150 2.433 383 HZ PHE 44 HZ PHE 44 -1.418 4.094 4.537 384 H PHE 45 H PHE 45 -4.820 3.312 -2.967 385 HA PHE 45 HA PHE 45 -4.171 6.143 -2.715 386 HB2 PHE 45 1HB PHE 45 -4.477 4.387 -5.159 387 HB3 PHE 45 2HB PHE 45 -4.034 6.089 -5.201 388 HD1 PHE 45 HD1 PHE 45 -2.025 6.510 -3.296 389 HD2 PHE 45 HD2 PHE 45 -2.729 3.016 -5.625 390 HE1 PHE 45 HE1 PHE 45 0.354 5.893 -3.085 391 HE2 PHE 45 HE2 PHE 45 -0.360 2.398 -5.422 392 HZ PHE 45 HZ PHE 45 1.183 3.839 -4.153 393 H GLU 46 H GLU 46 -6.794 4.061 -3.827 394 HA GLU 46 HA GLU 46 -8.328 6.144 -4.993 395 HB2 GLU 46 1HB GLU 46 -9.116 3.383 -4.069 396 HB3 GLU 46 2HB GLU 46 -10.183 4.467 -4.953 397 HG2 GLU 46 1HG GLU 46 -8.572 4.474 -6.818 398 HG3 GLU 46 2HG GLU 46 -7.579 3.320 -5.927 399 H GLU 47 H GLU 47 -9.013 4.243 -2.055 400 HA GLU 47 HA GLU 47 -11.212 5.865 -1.306 401 HB2 GLU 47 1HB GLU 47 -10.946 3.486 -0.674 402 HB3 GLU 47 2HB GLU 47 -9.617 3.930 0.385 403 HG2 GLU 47 1HG GLU 47 -11.141 5.298 1.721 404 HG3 GLU 47 2HG GLU 47 -12.472 4.837 0.662 405 H PHE 48 H PHE 48 -7.891 6.301 -0.963 406 HA PHE 48 HA PHE 48 -7.593 7.532 1.514 407 HB2 PHE 48 1HB PHE 48 -5.839 6.830 -0.237 408 HB3 PHE 48 2HB PHE 48 -6.119 8.409 -0.956 409 HD1 PHE 48 HD1 PHE 48 -5.404 10.434 0.167 410 HD2 PHE 48 HD2 PHE 48 -4.721 6.599 1.879 411 HE1 PHE 48 HE1 PHE 48 -3.781 11.425 1.729 412 HE2 PHE 48 HE2 PHE 48 -3.099 7.582 3.446 413 HZ PHE 48 HZ PHE 48 -2.628 10.000 3.372 414 H GLU 49 H GLU 49 -8.446 8.935 -1.630 415 HA GLU 49 HA GLU 49 -8.679 11.577 -0.383 416 HB2 GLU 49 1HB GLU 49 -8.774 12.421 -2.696 417 HB3 GLU 49 2HB GLU 49 -7.327 11.469 -2.388 418 HG2 GLU 49 1HG GLU 49 -8.247 9.587 -3.539 419 HG3 GLU 49 2HG GLU 49 -9.800 10.403 -3.731 420 H GLN 50 H GLN 50 -10.649 9.041 -0.795 421 HA GLN 50 HA GLN 50 -12.979 10.512 -1.755 422 HB2 GLN 50 1HB GLN 50 -12.839 7.658 -0.774 423 HB3 GLN 50 2HB GLN 50 -14.138 8.401 -1.699 424 HG2 GLN 50 1HG GLN 50 -12.513 8.740 -3.563 425 HG3 GLN 50 2HG GLN 50 -11.343 7.792 -2.638 426 HE21 GLN 50 1HE2 GLN 50 -14.786 7.200 -2.704 427 HE22 GLN 50 2HE2 GLN 50 -14.707 5.683 -3.534 428 H ARG 51 H ARG 51 -11.378 10.618 0.884 429 HA ARG 51 HA ARG 51 -12.968 10.134 3.074 430 HB2 ARG 51 1HB ARG 51 -11.632 11.883 4.175 431 HB3 ARG 51 2HB ARG 51 -10.645 10.757 3.245 432 HG2 ARG 51 1HG ARG 51 -10.617 12.354 1.388 433 HG3 ARG 51 2HG ARG 51 -11.543 13.461 2.390 434 HD2 ARG 51 1HD ARG 51 -9.684 13.471 4.024 435 HD3 ARG 51 2HD ARG 51 -8.772 12.422 2.934 436 HE ARG 51 HE ARG 51 -9.660 14.833 1.670 437 HH11 ARG 51 1HH1 ARG 51 -7.157 13.444 3.688 438 HH12 ARG 51 2HH1 ARG 51 -5.973 14.626 3.234 439 HH21 ARG 51 1HH2 ARG 51 -8.110 16.370 1.067 440 HH22 ARG 51 2HH2 ARG 51 -6.507 16.289 1.746 441 H LYS 52 H LYS 52 -14.954 10.771 3.523 442 HA LYS 52 HA LYS 52 -15.698 13.566 2.959 443 HB2 LYS 52 1HB LYS 52 -17.461 11.133 2.559 444 HB3 LYS 52 2HB LYS 52 -17.978 12.805 2.394 445 HG2 LYS 52 1HG LYS 52 -16.573 13.113 0.475 446 HG3 LYS 52 2HG LYS 52 -15.847 11.518 0.698 447 HD2 LYS 52 1HD LYS 52 -18.750 12.066 0.075 448 HD3 LYS 52 2HD LYS 52 -17.538 11.489 -1.071 449 HE2 LYS 52 1HE LYS 52 -17.291 9.435 0.101 450 HE3 LYS 52 2HE LYS 52 -18.242 10.025 1.462 451 HZ1 LYS 52 3HZ LYS 52 -19.573 8.564 0.154 452 HZ2 LYS 52 1HZ LYS 52 -19.237 9.425 -1.272 453 HZ3 LYS 52 2HZ LYS 52 -20.167 10.142 -0.046 Start of MODEL 24 1 H1 MET 1 1H MET 1 -11.841 -10.740 5.645 2 H2 MET 1 2H MET 1 -12.795 -9.347 5.815 3 H3 MET 1 3H MET 1 -13.076 -10.691 6.805 4 HA MET 1 HA MET 1 -11.928 -8.953 8.005 5 HB2 MET 1 1HB MET 1 -10.375 -11.479 7.434 6 HB3 MET 1 2HB MET 1 -9.890 -10.327 8.669 7 HG2 MET 1 1HG MET 1 -12.065 -10.649 9.776 8 HG3 MET 1 2HG MET 1 -12.470 -11.867 8.569 9 HE1 MET 1 3HE MET 1 -12.968 -13.449 10.776 10 HE2 MET 1 1HE MET 1 -12.389 -12.161 11.829 11 HE3 MET 1 2HE MET 1 -11.734 -13.793 11.987 12 H LYS 2 H LYS 2 -9.512 -10.423 5.848 13 HA LYS 2 HA LYS 2 -8.467 -7.719 5.354 14 HB2 LYS 2 1HB LYS 2 -6.167 -8.660 5.369 15 HB3 LYS 2 2HB LYS 2 -6.958 -8.749 6.936 16 HG2 LYS 2 1HG LYS 2 -7.083 -11.110 5.127 17 HG3 LYS 2 2HG LYS 2 -5.584 -10.766 5.994 18 HD2 LYS 2 1HD LYS 2 -6.802 -10.795 8.112 19 HD3 LYS 2 2HD LYS 2 -8.307 -11.112 7.247 20 HE2 LYS 2 1HE LYS 2 -7.373 -13.156 8.208 21 HE3 LYS 2 2HE LYS 2 -7.428 -13.228 6.451 22 HZ1 LYS 2 3HZ LYS 2 -5.344 -14.086 7.434 23 HZ2 LYS 2 1HZ LYS 2 -4.996 -12.529 8.008 24 HZ3 LYS 2 2HZ LYS 2 -5.093 -12.817 6.338 25 H GLN 3 H GLN 3 -6.532 -8.238 3.592 26 HA GLN 3 HA GLN 3 -7.359 -9.981 1.476 27 HB2 GLN 3 1HB GLN 3 -8.944 -7.985 1.297 28 HB3 GLN 3 2HB GLN 3 -7.532 -7.012 0.921 29 HG2 GLN 3 1HG GLN 3 -8.678 -7.660 -1.107 30 HG3 GLN 3 2HG GLN 3 -7.085 -8.411 -1.032 31 HE21 GLN 3 1HE2 GLN 3 -7.633 -10.054 -2.436 32 HE22 GLN 3 2HE2 GLN 3 -8.713 -11.331 -1.992 33 H TRP 4 H TRP 4 -5.738 -6.870 1.975 34 HA TRP 4 HA TRP 4 -3.267 -7.675 0.848 35 HB2 TRP 4 1HB TRP 4 -2.418 -5.717 2.340 36 HB3 TRP 4 2HB TRP 4 -3.509 -5.350 1.012 37 HD1 TRP 4 HD1 TRP 4 -5.164 -6.743 4.117 38 HE1 TRP 4 HE1 TRP 4 -6.467 -4.873 5.302 39 HE3 TRP 4 HE3 TRP 4 -3.401 -2.736 1.511 40 HZ2 TRP 4 HZ2 TRP 4 -6.740 -2.084 5.141 41 HZ3 TRP 4 HZ3 TRP 4 -4.240 -0.497 2.080 42 HH2 TRP 4 HH2 TRP 4 -5.871 -0.177 3.864 43 H SER 5 H SER 5 -1.446 -8.550 1.896 44 HA SER 5 HA SER 5 -1.827 -10.209 4.100 45 HB2 SER 5 1HB SER 5 0.789 -8.965 3.203 46 HB3 SER 5 2HB SER 5 0.598 -10.438 4.153 47 HG SER 5 HG SER 5 0.957 -10.829 1.904 48 H GLU 6 H GLU 6 -1.410 -9.959 6.298 49 HA GLU 6 HA GLU 6 -2.401 -7.698 7.459 50 HB2 GLU 6 1HB GLU 6 -1.900 -10.038 8.454 51 HB3 GLU 6 2HB GLU 6 -0.361 -9.334 8.928 52 HG2 GLU 6 1HG GLU 6 -1.811 -9.148 10.783 53 HG3 GLU 6 2HG GLU 6 -1.649 -7.531 10.095 54 H ASN 7 H ASN 7 1.062 -8.415 7.006 55 HA ASN 7 HA ASN 7 1.846 -6.011 8.363 56 HB2 ASN 7 1HB ASN 7 3.489 -7.933 6.722 57 HB3 ASN 7 2HB ASN 7 4.152 -6.580 7.639 58 HD21 ASN 7 1HD2 ASN 7 3.978 -6.622 9.930 59 HD22 ASN 7 2HD2 ASN 7 3.815 -8.129 10.770 60 H VAL 8 H VAL 8 0.677 -6.568 5.262 61 HA VAL 8 HA VAL 8 2.311 -4.538 3.990 62 HB VAL 8 HB VAL 8 -0.268 -5.680 2.926 63 HG11 VAL 8 1HG1 VAL 8 0.706 -5.079 0.770 64 HG12 VAL 8 2HG1 VAL 8 2.131 -4.449 1.592 65 HG13 VAL 8 3HG1 VAL 8 0.559 -3.680 1.831 66 HG21 VAL 8 3HG2 VAL 8 1.137 -7.571 3.411 67 HG22 VAL 8 1HG2 VAL 8 2.519 -6.792 2.646 68 HG23 VAL 8 2HG2 VAL 8 1.140 -7.287 1.671 69 H GLU 9 H GLU 9 -1.062 -4.968 4.988 70 HA GLU 9 HA GLU 9 -2.049 -2.413 4.752 71 HB2 GLU 9 1HB GLU 9 -3.379 -4.305 5.576 72 HB3 GLU 9 2HB GLU 9 -2.392 -4.385 7.032 73 HG2 GLU 9 1HG GLU 9 -3.194 -2.055 7.565 74 HG3 GLU 9 2HG GLU 9 -4.350 -2.249 6.245 75 H GLU 10 H GLU 10 -0.239 -3.822 7.395 76 HA GLU 10 HA GLU 10 0.033 -1.608 9.054 77 HB2 GLU 10 1HB GLU 10 0.424 -3.834 9.837 78 HB3 GLU 10 2HB GLU 10 1.696 -4.089 8.655 79 HG2 GLU 10 1HG GLU 10 3.031 -2.343 9.818 80 HG3 GLU 10 2HG GLU 10 1.784 -2.304 11.068 81 H LYS 11 H LYS 11 2.628 -3.001 6.995 82 HA LYS 11 HA LYS 11 4.273 -0.746 7.673 83 HB2 LYS 11 1HB LYS 11 5.226 -2.990 7.616 84 HB3 LYS 11 2HB LYS 11 4.874 -3.100 5.892 85 HG2 LYS 11 1HG LYS 11 6.370 -1.273 5.425 86 HG3 LYS 11 2HG LYS 11 6.660 -1.028 7.142 87 HD2 LYS 11 1HD LYS 11 7.737 -3.218 7.278 88 HD3 LYS 11 2HD LYS 11 7.411 -3.491 5.562 89 HE2 LYS 11 1HE LYS 11 8.776 -1.586 4.970 90 HE3 LYS 11 2HE LYS 11 9.047 -1.223 6.672 91 HZ1 LYS 11 3HZ LYS 11 10.957 -2.342 5.865 92 HZ2 LYS 11 1HZ LYS 11 10.034 -3.593 5.180 93 HZ3 LYS 11 2HZ LYS 11 10.130 -3.431 6.865 94 H LEU 12 H LEU 12 2.471 -1.728 4.814 95 HA LEU 12 HA LEU 12 3.909 0.018 3.064 96 HB2 LEU 12 1HB LEU 12 2.583 -1.926 2.281 97 HB3 LEU 12 2HB LEU 12 1.115 -1.078 2.714 98 HG LEU 12 HG LEU 12 1.642 0.658 1.043 99 HD11 LEU 12 1HD1 LEU 12 4.105 0.374 1.122 100 HD12 LEU 12 2HD1 LEU 12 3.455 0.354 -0.518 101 HD13 LEU 12 3HD1 LEU 12 3.919 -1.156 0.263 102 HD21 LEU 12 3HD2 LEU 12 0.241 -1.237 0.413 103 HD22 LEU 12 1HD2 LEU 12 1.677 -2.159 -0.033 104 HD23 LEU 12 2HD2 LEU 12 1.240 -0.714 -0.945 105 H LYS 13 H LYS 13 1.063 0.315 5.122 106 HA LYS 13 HA LYS 13 0.318 2.929 4.461 107 HB2 LYS 13 1HB LYS 13 -0.959 1.497 5.994 108 HB3 LYS 13 2HB LYS 13 0.343 1.581 7.167 109 HG2 LYS 13 1HG LYS 13 -0.030 3.996 7.398 110 HG3 LYS 13 2HG LYS 13 -1.360 3.884 6.241 111 HD2 LYS 13 1HD LYS 13 -2.252 3.873 8.482 112 HD3 LYS 13 2HD LYS 13 -2.494 2.286 7.749 113 HE2 LYS 13 1HE LYS 13 -1.755 1.927 9.993 114 HE3 LYS 13 2HE LYS 13 -0.407 1.529 8.928 115 HZ1 LYS 13 3HZ LYS 13 -0.731 4.120 10.345 116 HZ2 LYS 13 1HZ LYS 13 0.601 3.642 9.411 117 HZ3 LYS 13 2HZ LYS 13 0.258 2.849 10.871 118 H GLU 14 H GLU 14 2.879 1.677 6.503 119 HA GLU 14 HA GLU 14 3.751 4.207 7.459 120 HB2 GLU 14 1HB GLU 14 5.248 1.591 7.300 121 HB3 GLU 14 2HB GLU 14 5.729 2.992 8.248 122 HG2 GLU 14 1HG GLU 14 3.581 2.786 9.496 123 HG3 GLU 14 2HG GLU 14 3.294 1.273 8.634 124 H PHE 15 H PHE 15 5.046 2.016 4.965 125 HA PHE 15 HA PHE 15 7.247 3.533 4.158 126 HB2 PHE 15 1HB PHE 15 6.345 1.140 3.502 127 HB3 PHE 15 2HB PHE 15 5.610 2.010 2.162 128 HD1 PHE 15 HD1 PHE 15 8.922 2.578 3.750 129 HD2 PHE 15 HD2 PHE 15 6.835 1.211 0.286 130 HE1 PHE 15 HE1 PHE 15 11.052 2.385 2.540 131 HE2 PHE 15 HE2 PHE 15 8.964 1.017 -0.916 132 HZ PHE 15 HZ PHE 15 11.078 1.603 0.205 133 H VAL 16 H VAL 16 3.861 3.964 3.392 134 HA VAL 16 HA VAL 16 4.420 6.041 1.460 135 HB VAL 16 HB VAL 16 1.787 5.196 2.676 136 HG11 VAL 16 1HG1 VAL 16 1.708 7.510 1.911 137 HG12 VAL 16 2HG1 VAL 16 0.751 6.468 0.857 138 HG13 VAL 16 3HG1 VAL 16 2.343 7.023 0.339 139 HG21 VAL 16 3HG2 VAL 16 1.382 4.122 0.511 140 HG22 VAL 16 1HG2 VAL 16 2.797 3.445 1.317 141 HG23 VAL 16 2HG2 VAL 16 3.000 4.581 -0.019 142 H LYS 17 H LYS 17 2.859 5.971 4.684 143 HA LYS 17 HA LYS 17 2.732 8.880 4.600 144 HB2 LYS 17 1HB LYS 17 0.758 7.463 5.224 145 HB3 LYS 17 2HB LYS 17 1.611 7.019 6.693 146 HG2 LYS 17 1HG LYS 17 0.031 8.747 7.192 147 HG3 LYS 17 2HG LYS 17 1.662 9.403 7.339 148 HD2 LYS 17 1HD LYS 17 1.471 10.466 5.177 149 HD3 LYS 17 2HD LYS 17 -0.105 9.720 4.913 150 HE2 LYS 17 1HE LYS 17 0.537 11.660 7.134 151 HE3 LYS 17 2HE LYS 17 -0.231 12.098 5.610 152 HZ1 LYS 17 3HZ LYS 17 -2.085 10.666 6.146 153 HZ2 LYS 17 1HZ LYS 17 -1.842 11.777 7.404 154 HZ3 LYS 17 2HZ LYS 17 -1.337 10.169 7.586 155 H ARG 18 H ARG 18 4.300 6.354 6.483 156 HA ARG 18 HA ARG 18 5.358 8.305 8.378 157 HB2 ARG 18 1HB ARG 18 5.480 5.300 8.222 158 HB3 ARG 18 2HB ARG 18 6.465 6.210 9.358 159 HG2 ARG 18 1HG ARG 18 4.464 7.120 10.395 160 HG3 ARG 18 2HG ARG 18 3.457 6.241 9.240 161 HD2 ARG 18 1HD ARG 18 4.170 4.141 10.101 162 HD3 ARG 18 2HD ARG 18 5.425 4.897 11.082 163 HE ARG 18 HE ARG 18 2.889 5.900 11.818 164 HH11 ARG 18 1HH1 ARG 18 4.783 2.955 12.004 165 HH12 ARG 18 2HH1 ARG 18 4.111 2.479 13.539 166 HH21 ARG 18 1HH2 ARG 18 2.014 5.279 13.835 167 HH22 ARG 18 2HH2 ARG 18 2.555 3.805 14.587 168 H HIS 19 H HIS 19 6.613 5.870 6.126 169 HA HIS 19 HA HIS 19 9.335 6.589 6.518 170 HB2 HIS 19 1HB HIS 19 8.190 4.364 5.605 171 HB3 HIS 19 2HB HIS 19 8.427 5.166 4.062 172 HD1 HIS 19 HD1 HIS 19 10.173 3.063 6.483 173 HD2 HIS 19 HD2 HIS 19 11.192 5.788 3.517 174 HE1 HIS 19 HE1 HIS 19 12.601 2.635 5.932 175 H GLN 20 H GLN 20 6.833 7.471 4.415 176 HA GLN 20 HA GLN 20 6.570 8.929 2.703 177 HB2 GLN 20 1HB GLN 20 8.848 10.260 4.173 178 HB3 GLN 20 2HB GLN 20 7.946 11.029 2.872 179 HG2 GLN 20 1HG GLN 20 5.894 10.841 4.180 180 HG3 GLN 20 2HG GLN 20 6.788 10.050 5.474 181 HE21 GLN 20 1HE2 GLN 20 9.111 11.782 5.137 182 HE22 GLN 20 2HE2 GLN 20 8.671 13.309 5.826 183 H ARG 21 H ARG 21 8.354 6.634 2.306 184 HA ARG 21 HA ARG 21 9.842 7.710 0.040 185 HB2 ARG 21 1HB ARG 21 10.832 5.759 2.074 186 HB3 ARG 21 2HB ARG 21 11.475 5.747 0.440 187 HG2 ARG 21 1HG ARG 21 12.040 8.176 0.766 188 HG3 ARG 21 2HG ARG 21 11.637 7.948 2.470 189 HD2 ARG 21 1HD ARG 21 14.044 7.706 2.064 190 HD3 ARG 21 2HD ARG 21 13.323 6.211 2.663 191 HE ARG 21 HE ARG 21 13.515 6.413 -0.220 192 HH11 ARG 21 1HH1 ARG 21 15.074 5.347 2.733 193 HH12 ARG 21 2HH1 ARG 21 16.069 4.165 1.934 194 HH21 ARG 21 1HH2 ARG 21 14.852 4.877 -1.285 195 HH22 ARG 21 2HH2 ARG 21 15.950 3.905 -0.349 196 H ILE 22 H ILE 22 8.244 7.145 -1.395 197 HA ILE 22 HA ILE 22 8.490 4.546 -2.452 198 HB ILE 22 HB ILE 22 6.961 4.204 -0.390 199 HG12 ILE 22 1HG1 ILE 22 6.041 3.307 -3.136 200 HG13 ILE 22 2HG1 ILE 22 7.284 2.531 -2.160 201 HG21 ILE 22 1HG2 ILE 22 5.522 6.150 -0.789 202 HG22 ILE 22 2HG2 ILE 22 4.593 4.651 -0.746 203 HG23 ILE 22 3HG2 ILE 22 4.954 5.423 -2.290 204 HD11 ILE 22 3HD1 ILE 22 5.274 1.276 -1.956 205 HD12 ILE 22 1HD1 ILE 22 4.351 2.721 -1.545 206 HD13 ILE 22 2HD1 ILE 22 5.563 2.099 -0.426 207 H THR 23 H THR 23 7.839 4.531 -4.548 208 HA THR 23 HA THR 23 5.869 6.550 -5.400 209 HB THR 23 HB THR 23 6.926 6.571 -7.627 210 HG1 THR 23 HG1 THR 23 8.875 4.891 -6.373 211 HG21 THR 23 3HG2 THR 23 8.947 7.835 -7.053 212 HG22 THR 23 1HG2 THR 23 8.869 7.213 -5.406 213 HG23 THR 23 2HG2 THR 23 7.598 8.276 -6.008 214 H GLN 24 H GLN 24 5.024 5.699 -7.727 215 HA GLN 24 HA GLN 24 3.608 3.315 -7.180 216 HB2 GLN 24 1HB GLN 24 2.757 5.074 -8.673 217 HB3 GLN 24 2HB GLN 24 4.035 4.718 -9.826 218 HG2 GLN 24 1HG GLN 24 3.108 2.636 -10.379 219 HG3 GLN 24 2HG GLN 24 2.044 2.648 -8.972 220 HE21 GLN 24 1HE2 GLN 24 1.448 2.357 -11.836 221 HE22 GLN 24 2HE2 GLN 24 0.289 3.596 -12.188 222 H GLU 25 H GLU 25 6.671 3.952 -8.624 223 HA GLU 25 HA GLU 25 7.091 1.582 -10.055 224 HB2 GLU 25 1HB GLU 25 8.542 3.629 -10.091 225 HB3 GLU 25 2HB GLU 25 9.156 3.156 -8.513 226 HG2 GLU 25 1HG GLU 25 10.718 2.472 -10.191 227 HG3 GLU 25 2HG GLU 25 9.953 1.037 -9.506 228 H GLU 26 H GLU 26 8.348 2.379 -6.807 229 HA GLU 26 HA GLU 26 9.125 -0.256 -6.197 230 HB2 GLU 26 1HB GLU 26 8.439 1.991 -4.301 231 HB3 GLU 26 2HB GLU 26 9.221 0.492 -3.837 232 HG2 GLU 26 1HG GLU 26 10.958 2.016 -3.981 233 HG3 GLU 26 2HG GLU 26 11.039 1.139 -5.508 234 H LEU 27 H LEU 27 6.151 1.529 -5.628 235 HA LEU 27 HA LEU 27 5.018 -0.042 -3.660 236 HB2 LEU 27 1HB LEU 27 4.212 2.174 -4.594 237 HB3 LEU 27 2HB LEU 27 3.455 1.261 -5.882 238 HG LEU 27 HG LEU 27 2.790 0.579 -3.041 239 HD11 LEU 27 1HD1 LEU 27 0.995 2.230 -3.063 240 HD12 LEU 27 2HD1 LEU 27 1.577 2.856 -4.606 241 HD13 LEU 27 3HD1 LEU 27 2.574 3.006 -3.159 242 HD21 LEU 27 3HD2 LEU 27 0.645 -0.020 -4.032 243 HD22 LEU 27 1HD2 LEU 27 1.964 -0.833 -4.880 244 HD23 LEU 27 2HD2 LEU 27 1.187 0.577 -5.600 245 H HIS 28 H HIS 28 4.807 -0.485 -7.195 246 HA HIS 28 HA HIS 28 3.014 -2.691 -6.949 247 HB2 HIS 28 1HB HIS 28 3.235 -1.279 -9.028 248 HB3 HIS 28 2HB HIS 28 4.767 -2.096 -9.338 249 HD1 HIS 28 HD1 HIS 28 4.391 -4.931 -9.242 250 HD2 HIS 28 HD2 HIS 28 1.210 -2.476 -10.323 251 HE1 HIS 28 HE1 HIS 28 2.679 -6.425 -10.315 252 H GLN 29 H GLN 29 6.527 -2.450 -7.527 253 HA GLN 29 HA GLN 29 6.924 -5.241 -7.773 254 HB2 GLN 29 1HB GLN 29 8.579 -3.582 -8.542 255 HB3 GLN 29 2HB GLN 29 8.889 -3.120 -6.874 256 HG2 GLN 29 1HG GLN 29 10.627 -4.586 -7.719 257 HG3 GLN 29 2HG GLN 29 9.738 -5.351 -6.403 258 HE21 GLN 29 1HE2 GLN 29 10.333 -7.412 -7.048 259 HE22 GLN 29 2HE2 GLN 29 9.673 -8.177 -8.451 260 H TYR 30 H TYR 30 6.852 -3.055 -5.052 261 HA TYR 30 HA TYR 30 7.728 -4.971 -3.119 262 HB2 TYR 30 1HB TYR 30 7.897 -2.442 -2.946 263 HB3 TYR 30 2HB TYR 30 6.170 -2.428 -2.623 264 HD1 TYR 30 HD1 TYR 30 8.805 -4.757 -1.365 265 HD2 TYR 30 HD2 TYR 30 5.981 -1.714 -0.419 266 HE1 TYR 30 HE1 TYR 30 9.270 -5.077 1.025 267 HE2 TYR 30 HE2 TYR 30 6.446 -2.029 1.976 268 HH TYR 30 HH TYR 30 7.312 -3.865 3.455 269 H ALA 31 H ALA 31 4.785 -4.364 -4.754 270 HA ALA 31 HA ALA 31 3.001 -5.316 -2.718 271 HB1 ALA 31 3HB ALA 31 2.213 -3.820 -4.495 272 HB2 ALA 31 1HB ALA 31 1.314 -5.337 -4.495 273 HB3 ALA 31 2HB ALA 31 2.573 -5.056 -5.700 274 H GLN 32 H GLN 32 4.537 -6.667 -5.590 275 HA GLN 32 HA GLN 32 3.345 -9.247 -5.298 276 HB2 GLN 32 1HB GLN 32 5.793 -8.411 -6.872 277 HB3 GLN 32 2HB GLN 32 4.974 -9.959 -7.015 278 HG2 GLN 32 1HG GLN 32 3.838 -7.256 -7.709 279 HG3 GLN 32 2HG GLN 32 4.344 -8.514 -8.833 280 HE21 GLN 32 1HE2 GLN 32 3.045 -10.279 -9.172 281 HE22 GLN 32 2HE2 GLN 32 1.408 -10.358 -8.616 282 H ARG 33 H ARG 33 6.152 -7.658 -4.071 283 HA ARG 33 HA ARG 33 7.564 -9.949 -3.174 284 HB2 ARG 33 1HB ARG 33 8.704 -7.837 -3.435 285 HB3 ARG 33 2HB ARG 33 7.626 -7.061 -2.289 286 HG2 ARG 33 1HG ARG 33 9.713 -7.423 -1.211 287 HG3 ARG 33 2HG ARG 33 8.549 -8.549 -0.517 288 HD2 ARG 33 1HD ARG 33 10.461 -9.293 -2.721 289 HD3 ARG 33 2HD ARG 33 10.838 -9.486 -1.012 290 HE ARG 33 HE ARG 33 8.390 -10.751 -1.524 291 HH11 ARG 33 1HH1 ARG 33 11.806 -11.120 -2.223 292 HH12 ARG 33 2HH1 ARG 33 11.694 -12.844 -2.443 293 HH21 ARG 33 1HH2 ARG 33 8.257 -13.017 -1.824 294 HH22 ARG 33 2HH2 ARG 33 9.693 -13.914 -2.211 295 H LEU 34 H LEU 34 5.089 -7.891 -1.735 296 HA LEU 34 HA LEU 34 5.354 -9.242 0.823 297 HB2 LEU 34 1HB LEU 34 3.526 -7.012 -0.060 298 HB3 LEU 34 2HB LEU 34 3.629 -7.637 1.575 299 HG LEU 34 HG LEU 34 5.861 -6.266 0.075 300 HD11 LEU 34 1HD1 LEU 34 4.303 -5.295 2.463 301 HD12 LEU 34 2HD1 LEU 34 3.971 -4.807 0.802 302 HD13 LEU 34 3HD1 LEU 34 5.523 -4.417 1.541 303 HD21 LEU 34 3HD2 LEU 34 7.042 -6.338 2.228 304 HD22 LEU 34 1HD2 LEU 34 6.720 -7.953 1.593 305 HD23 LEU 34 2HD2 LEU 34 5.732 -7.307 2.904 306 H GLY 35 H GLY 35 3.243 -9.291 -1.956 307 HA2 GLY 35 1HA GLY 35 2.028 -11.390 -2.287 308 HA3 GLY 35 2HA GLY 35 1.686 -11.387 -0.568 309 H LEU 36 H LEU 36 1.420 -8.739 -2.915 310 HA LEU 36 HA LEU 36 -1.251 -8.250 -1.863 311 HB2 LEU 36 1HB LEU 36 0.616 -6.557 -3.503 312 HB3 LEU 36 2HB LEU 36 -1.041 -6.095 -3.160 313 HG LEU 36 HG LEU 36 1.180 -6.470 -1.159 314 HD11 LEU 36 1HD1 LEU 36 1.207 -4.359 -2.394 315 HD12 LEU 36 2HD1 LEU 36 0.796 -4.112 -0.698 316 HD13 LEU 36 3HD1 LEU 36 -0.468 -4.064 -1.927 317 HD21 LEU 36 3HD2 LEU 36 -0.867 -7.387 -0.247 318 HD22 LEU 36 1HD2 LEU 36 -1.752 -5.932 -0.705 319 HD23 LEU 36 2HD2 LEU 36 -0.495 -5.848 0.527 320 H ASN 37 H ASN 37 -2.766 -7.250 -3.324 321 HA ASN 37 HA ASN 37 -2.768 -8.245 -6.069 322 HB2 ASN 37 1HB ASN 37 -5.304 -8.521 -5.776 323 HB3 ASN 37 2HB ASN 37 -4.292 -9.750 -5.033 324 HD21 ASN 37 1HD2 ASN 37 -4.618 -6.567 -3.618 325 HD22 ASN 37 2HD2 ASN 37 -5.574 -7.066 -2.263 326 H GLU 38 H GLU 38 -4.516 -6.915 -7.330 327 HA GLU 38 HA GLU 38 -3.725 -4.218 -7.079 328 HB2 GLU 38 1HB GLU 38 -5.900 -5.511 -8.721 329 HB3 GLU 38 2HB GLU 38 -5.467 -3.809 -8.849 330 HG2 GLU 38 1HG GLU 38 -3.221 -4.396 -9.534 331 HG3 GLU 38 2HG GLU 38 -3.584 -6.109 -9.324 332 H GLU 39 H GLU 39 -6.356 -5.976 -5.685 333 HA GLU 39 HA GLU 39 -8.178 -4.042 -4.948 334 HB2 GLU 39 1HB GLU 39 -8.510 -6.330 -4.304 335 HB3 GLU 39 2HB GLU 39 -7.007 -6.356 -3.394 336 HG2 GLU 39 1HG GLU 39 -8.729 -6.276 -1.799 337 HG3 GLU 39 2HG GLU 39 -8.050 -4.650 -1.855 338 H ALA 40 H ALA 40 -5.264 -4.975 -3.201 339 HA ALA 40 HA ALA 40 -5.421 -2.921 -1.249 340 HB1 ALA 40 3HB ALA 40 -4.290 -4.910 -0.662 341 HB2 ALA 40 1HB ALA 40 -3.046 -3.666 -0.769 342 HB3 ALA 40 2HB ALA 40 -3.247 -4.826 -2.081 343 H ILE 41 H ILE 41 -3.631 -3.348 -4.234 344 HA ILE 41 HA ILE 41 -1.878 -1.183 -3.956 345 HB ILE 41 HB ILE 41 -2.923 -2.440 -6.499 346 HG12 ILE 41 1HG1 ILE 41 -0.448 -3.058 -4.866 347 HG13 ILE 41 2HG1 ILE 41 -1.903 -4.050 -4.923 348 HG21 ILE 41 1HG2 ILE 41 -1.878 -0.296 -6.941 349 HG22 ILE 41 2HG2 ILE 41 -0.839 -1.602 -7.508 350 HG23 ILE 41 3HG2 ILE 41 -0.461 -0.766 -6.003 351 HD11 ILE 41 3HD1 ILE 41 -1.517 -4.475 -7.293 352 HD12 ILE 41 1HD1 ILE 41 -0.137 -4.969 -6.309 353 HD13 ILE 41 2HD1 ILE 41 -0.068 -3.472 -7.239 354 H ARG 42 H ARG 42 -5.006 -1.451 -5.610 355 HA ARG 42 HA ARG 42 -5.118 1.241 -6.466 356 HB2 ARG 42 1HB ARG 42 -6.406 -0.454 -7.573 357 HB3 ARG 42 2HB ARG 42 -7.233 -0.824 -6.085 358 HG2 ARG 42 1HG ARG 42 -8.286 1.355 -6.104 359 HG3 ARG 42 2HG ARG 42 -7.472 1.733 -7.620 360 HD2 ARG 42 1HD ARG 42 -8.635 -0.038 -8.747 361 HD3 ARG 42 2HD ARG 42 -9.329 -0.608 -7.230 362 HE ARG 42 HE ARG 42 -10.044 2.094 -7.653 363 HH11 ARG 42 1HH1 ARG 42 -10.732 -1.122 -8.882 364 HH12 ARG 42 2HH1 ARG 42 -12.350 -0.715 -9.365 365 HH21 ARG 42 1HH2 ARG 42 -12.142 2.619 -8.281 366 HH22 ARG 42 2HH2 ARG 42 -13.160 1.415 -9.019 367 H GLN 43 H GLN 43 -6.240 -0.452 -3.607 368 HA GLN 43 HA GLN 43 -7.913 1.509 -2.532 369 HB2 GLN 43 1HB GLN 43 -7.879 -0.782 -1.722 370 HB3 GLN 43 2HB GLN 43 -6.233 -0.584 -1.143 371 HG2 GLN 43 1HG GLN 43 -6.967 1.001 0.519 372 HG3 GLN 43 2HG GLN 43 -8.612 0.938 -0.111 373 HE21 GLN 43 1HE2 GLN 43 -9.438 0.279 1.855 374 HE22 GLN 43 2HE2 GLN 43 -9.204 -1.328 2.458 375 H PHE 44 H PHE 44 -4.427 0.992 -2.069 376 HA PHE 44 HA PHE 44 -4.056 3.007 -0.145 377 HB2 PHE 44 1HB PHE 44 -2.358 1.375 -1.914 378 HB3 PHE 44 2HB PHE 44 -1.642 2.848 -1.284 379 HD1 PHE 44 HD1 PHE 44 -2.010 3.221 1.301 380 HD2 PHE 44 HD2 PHE 44 -2.144 -0.556 -0.656 381 HE1 PHE 44 HE1 PHE 44 -1.522 2.102 3.434 382 HE2 PHE 44 HE2 PHE 44 -1.657 -1.679 1.481 383 HZ PHE 44 HZ PHE 44 -1.341 -0.346 3.526 384 H PHE 45 H PHE 45 -4.361 3.148 -3.583 385 HA PHE 45 HA PHE 45 -3.274 5.835 -3.681 386 HB2 PHE 45 1HB PHE 45 -4.444 4.018 -5.778 387 HB3 PHE 45 2HB PHE 45 -4.095 5.707 -6.116 388 HD1 PHE 45 HD1 PHE 45 -1.628 6.417 -5.267 389 HD2 PHE 45 HD2 PHE 45 -2.850 2.508 -6.423 390 HE1 PHE 45 HE1 PHE 45 0.709 5.840 -5.772 391 HE2 PHE 45 HE2 PHE 45 -0.513 1.926 -6.931 392 HZ PHE 45 HZ PHE 45 1.268 3.593 -6.601 393 H GLU 46 H GLU 46 -6.482 4.421 -4.504 394 HA GLU 46 HA GLU 46 -7.513 7.098 -4.772 395 HB2 GLU 46 1HB GLU 46 -9.512 6.107 -5.613 396 HB3 GLU 46 2HB GLU 46 -8.140 5.280 -6.313 397 HG2 GLU 46 1HG GLU 46 -8.485 3.361 -5.020 398 HG3 GLU 46 2HG GLU 46 -9.619 4.189 -3.954 399 H GLU 47 H GLU 47 -8.248 4.336 -2.666 400 HA GLU 47 HA GLU 47 -10.306 5.682 -1.250 401 HB2 GLU 47 1HB GLU 47 -10.037 3.196 -1.379 402 HB3 GLU 47 2HB GLU 47 -8.665 3.333 -0.288 403 HG2 GLU 47 1HG GLU 47 -10.161 4.331 1.406 404 HG3 GLU 47 2HG GLU 47 -11.523 4.066 0.319 405 H PHE 48 H PHE 48 -6.914 5.718 -1.044 406 HA PHE 48 HA PHE 48 -6.289 6.360 1.549 407 HB2 PHE 48 1HB PHE 48 -4.857 6.133 -0.607 408 HB3 PHE 48 2HB PHE 48 -5.102 7.864 -0.755 409 HD1 PHE 48 HD1 PHE 48 -3.701 5.236 1.408 410 HD2 PHE 48 HD2 PHE 48 -3.865 9.389 0.526 411 HE1 PHE 48 HE1 PHE 48 -1.794 5.620 2.906 412 HE2 PHE 48 HE2 PHE 48 -1.953 9.788 2.022 413 HZ PHE 48 HZ PHE 48 -0.915 7.901 3.221 414 H GLU 49 H GLU 49 -6.943 8.666 -1.038 415 HA GLU 49 HA GLU 49 -7.001 10.942 0.655 416 HB2 GLU 49 1HB GLU 49 -7.661 12.125 -1.400 417 HB3 GLU 49 2HB GLU 49 -6.294 11.048 -1.671 418 HG2 GLU 49 1HG GLU 49 -7.889 9.350 -2.553 419 HG3 GLU 49 2HG GLU 49 -9.164 10.555 -2.421 420 H GLN 50 H GLN 50 -9.314 8.570 0.141 421 HA GLN 50 HA GLN 50 -11.613 10.356 0.221 422 HB2 GLN 50 1HB GLN 50 -11.551 7.334 0.257 423 HB3 GLN 50 2HB GLN 50 -12.952 8.354 -0.044 424 HG2 GLN 50 1HG GLN 50 -11.889 9.189 -2.090 425 HG3 GLN 50 2HG GLN 50 -10.507 8.131 -1.788 426 HE21 GLN 50 1HE2 GLN 50 -12.227 5.979 -0.779 427 HE22 GLN 50 2HE2 GLN 50 -12.932 5.256 -2.188 428 H ARG 51 H ARG 51 -9.526 9.097 2.417 429 HA ARG 51 HA ARG 51 -11.496 8.474 4.466 430 HB2 ARG 51 1HB ARG 51 -8.486 8.308 4.423 431 HB3 ARG 51 2HB ARG 51 -9.473 7.865 5.809 432 HG2 ARG 51 1HG ARG 51 -10.399 6.032 4.702 433 HG3 ARG 51 2HG ARG 51 -9.892 6.632 3.121 434 HD2 ARG 51 1HD ARG 51 -7.598 6.194 3.617 435 HD3 ARG 51 2HD ARG 51 -7.986 5.771 5.285 436 HE ARG 51 HE ARG 51 -9.032 4.175 3.044 437 HH11 ARG 51 1HH1 ARG 51 -7.217 4.420 6.032 438 HH12 ARG 51 2HH1 ARG 51 -6.991 2.700 6.182 439 HH21 ARG 51 1HH2 ARG 51 -8.752 1.913 3.256 440 HH22 ARG 51 2HH2 ARG 51 -7.850 1.290 4.613 441 H LYS 52 H LYS 52 -12.402 10.299 5.215 442 HA LYS 52 HA LYS 52 -10.599 12.314 6.387 443 HB2 LYS 52 1HB LYS 52 -13.370 12.892 5.323 444 HB3 LYS 52 2HB LYS 52 -12.172 14.054 5.862 445 HG2 LYS 52 1HG LYS 52 -11.925 12.322 3.414 446 HG3 LYS 52 2HG LYS 52 -12.446 14.006 3.421 447 HD2 LYS 52 1HD LYS 52 -10.242 14.604 4.435 448 HD3 LYS 52 2HD LYS 52 -9.745 12.925 4.212 449 HE2 LYS 52 1HE LYS 52 -10.300 13.202 1.777 450 HE3 LYS 52 2HE LYS 52 -10.456 14.931 2.093 451 HZ1 LYS 52 3HZ LYS 52 -8.239 14.291 1.277 452 HZ2 LYS 52 1HZ LYS 52 -8.022 13.325 2.655 453 HZ3 LYS 52 2HZ LYS 52 -8.182 15.007 2.812 Start of MODEL 25 1 H1 MET 1 1H MET 1 -12.273 -10.408 3.023 2 H2 MET 1 2H MET 1 -13.050 -8.934 3.332 3 H3 MET 1 3H MET 1 -13.835 -10.396 3.678 4 HA MET 1 HA MET 1 -12.986 -9.289 5.669 5 HB2 MET 1 1HB MET 1 -11.668 -11.914 4.949 6 HB3 MET 1 2HB MET 1 -11.752 -11.261 6.576 7 HG2 MET 1 1HG MET 1 -14.152 -11.948 4.894 8 HG3 MET 1 2HG MET 1 -13.428 -13.022 6.085 9 HE1 MET 1 3HE MET 1 -15.811 -10.067 5.417 10 HE2 MET 1 1HE MET 1 -14.426 -9.137 5.993 11 HE3 MET 1 2HE MET 1 -15.896 -9.227 6.966 12 H LYS 2 H LYS 2 -10.184 -10.902 4.204 13 HA LYS 2 HA LYS 2 -8.682 -8.406 4.543 14 HB2 LYS 2 1HB LYS 2 -6.657 -9.938 4.966 15 HB3 LYS 2 2HB LYS 2 -7.793 -9.681 6.278 16 HG2 LYS 2 1HG LYS 2 -8.820 -11.839 5.842 17 HG3 LYS 2 2HG LYS 2 -7.724 -12.098 4.481 18 HD2 LYS 2 1HD LYS 2 -5.828 -12.176 5.923 19 HD3 LYS 2 2HD LYS 2 -6.775 -11.609 7.298 20 HE2 LYS 2 1HE LYS 2 -6.304 -14.012 7.421 21 HE3 LYS 2 2HE LYS 2 -8.031 -13.676 7.328 22 HZ1 LYS 2 3HZ LYS 2 -7.127 -15.546 5.907 23 HZ2 LYS 2 1HZ LYS 2 -6.439 -14.350 4.920 24 HZ3 LYS 2 2HZ LYS 2 -8.124 -14.417 5.129 25 H GLN 3 H GLN 3 -7.778 -7.693 2.762 26 HA GLN 3 HA GLN 3 -7.947 -9.432 0.388 27 HB2 GLN 3 1HB GLN 3 -7.975 -6.417 0.632 28 HB3 GLN 3 2HB GLN 3 -7.892 -7.269 -0.901 29 HG2 GLN 3 1HG GLN 3 -10.130 -6.688 -0.677 30 HG3 GLN 3 2HG GLN 3 -10.073 -8.386 -0.210 31 HE21 GLN 3 1HE2 GLN 3 -10.457 -5.113 0.920 32 HE22 GLN 3 2HE2 GLN 3 -11.123 -5.516 2.463 33 H TRP 4 H TRP 4 -5.787 -8.810 2.509 34 HA TRP 4 HA TRP 4 -3.522 -8.916 0.777 35 HB2 TRP 4 1HB TRP 4 -2.513 -6.821 1.997 36 HB3 TRP 4 2HB TRP 4 -3.526 -6.611 0.590 37 HD1 TRP 4 HD1 TRP 4 -4.415 -4.232 1.112 38 HE1 TRP 4 HE1 TRP 4 -5.929 -3.230 2.938 39 HE3 TRP 4 HE3 TRP 4 -4.531 -8.174 4.319 40 HZ2 TRP 4 HZ2 TRP 4 -7.037 -4.018 5.394 41 HZ3 TRP 4 HZ3 TRP 4 -5.841 -7.982 6.393 42 HH2 TRP 4 HH2 TRP 4 -7.068 -5.939 6.916 43 H SER 5 H SER 5 -1.528 -8.309 2.543 44 HA SER 5 HA SER 5 -2.126 -9.923 4.887 45 HB2 SER 5 1HB SER 5 -0.028 -10.432 3.762 46 HB3 SER 5 2HB SER 5 0.480 -8.751 3.899 47 HG SER 5 HG SER 5 0.321 -10.740 5.862 48 H GLU 6 H GLU 6 -3.019 -8.861 6.548 49 HA GLU 6 HA GLU 6 -3.240 -6.196 7.089 50 HB2 GLU 6 1HB GLU 6 -4.336 -7.920 8.410 51 HB3 GLU 6 2HB GLU 6 -2.791 -8.434 9.071 52 HG2 GLU 6 1HG GLU 6 -2.554 -6.270 10.184 53 HG3 GLU 6 2HG GLU 6 -4.113 -5.772 9.527 54 H ASN 7 H ASN 7 -0.527 -8.247 8.017 55 HA ASN 7 HA ASN 7 1.040 -6.387 9.378 56 HB2 ASN 7 1HB ASN 7 1.895 -8.626 7.548 57 HB3 ASN 7 2HB ASN 7 2.954 -7.806 8.694 58 HD21 ASN 7 1HD2 ASN 7 2.726 -8.198 10.883 59 HD22 ASN 7 2HD2 ASN 7 1.820 -9.546 11.494 60 H VAL 8 H VAL 8 0.864 -7.180 5.955 61 HA VAL 8 HA VAL 8 2.892 -5.446 5.072 62 HB VAL 8 HB VAL 8 0.537 -6.646 3.621 63 HG11 VAL 8 1HG1 VAL 8 1.766 -5.999 1.558 64 HG12 VAL 8 2HG1 VAL 8 2.809 -4.983 2.551 65 HG13 VAL 8 3HG1 VAL 8 1.080 -4.645 2.451 66 HG21 VAL 8 3HG2 VAL 8 3.489 -7.284 3.603 67 HG22 VAL 8 1HG2 VAL 8 2.256 -8.086 2.631 68 HG23 VAL 8 2HG2 VAL 8 2.225 -8.231 4.389 69 H GLU 9 H GLU 9 -0.658 -5.026 5.212 70 HA GLU 9 HA GLU 9 -0.761 -2.507 4.014 71 HB2 GLU 9 1HB GLU 9 -2.766 -3.853 4.532 72 HB3 GLU 9 2HB GLU 9 -2.521 -3.541 6.250 73 HG2 GLU 9 1HG GLU 9 -2.726 -1.094 5.747 74 HG3 GLU 9 2HG GLU 9 -3.169 -1.529 4.102 75 H GLU 10 H GLU 10 -0.281 -3.411 7.383 76 HA GLU 10 HA GLU 10 -0.078 -0.899 8.553 77 HB2 GLU 10 1HB GLU 10 -0.122 -2.637 10.073 78 HB3 GLU 10 2HB GLU 10 0.996 -3.618 9.140 79 HG2 GLU 10 1HG GLU 10 2.827 -2.126 9.819 80 HG3 GLU 10 2HG GLU 10 1.689 -1.224 10.822 81 H LYS 11 H LYS 11 2.549 -2.967 7.355 82 HA LYS 11 HA LYS 11 4.581 -1.061 7.824 83 HB2 LYS 11 1HB LYS 11 4.933 -3.499 7.705 84 HB3 LYS 11 2HB LYS 11 4.593 -3.456 5.980 85 HG2 LYS 11 1HG LYS 11 6.559 -2.137 5.572 86 HG3 LYS 11 2HG LYS 11 6.862 -1.982 7.304 87 HD2 LYS 11 1HD LYS 11 6.884 -4.557 5.728 88 HD3 LYS 11 2HD LYS 11 8.309 -3.677 6.286 89 HE2 LYS 11 1HE LYS 11 7.543 -3.985 8.614 90 HE3 LYS 11 2HE LYS 11 6.176 -4.926 8.022 91 HZ1 LYS 11 3HZ LYS 11 9.052 -5.610 7.818 92 HZ2 LYS 11 1HZ LYS 11 7.828 -6.468 7.018 93 HZ3 LYS 11 2HZ LYS 11 7.867 -6.423 8.712 94 H LEU 12 H LEU 12 2.615 -1.825 5.025 95 HA LEU 12 HA LEU 12 3.987 -0.359 3.067 96 HB2 LEU 12 1HB LEU 12 2.040 -1.977 2.777 97 HB3 LEU 12 2HB LEU 12 0.992 -0.659 3.261 98 HG LEU 12 HG LEU 12 2.127 0.624 1.304 99 HD11 LEU 12 1HD1 LEU 12 3.870 -0.964 0.816 100 HD12 LEU 12 2HD1 LEU 12 2.757 -0.889 -0.552 101 HD13 LEU 12 3HD1 LEU 12 2.682 -2.244 0.569 102 HD21 LEU 12 3HD2 LEU 12 0.435 -0.256 -0.248 103 HD22 LEU 12 1HD2 LEU 12 -0.227 0.034 1.361 104 HD23 LEU 12 2HD2 LEU 12 0.153 -1.608 0.848 105 H LYS 13 H LYS 13 1.264 0.527 5.137 106 HA LYS 13 HA LYS 13 0.872 3.161 4.461 107 HB2 LYS 13 1HB LYS 13 -0.673 2.238 5.940 108 HB3 LYS 13 2HB LYS 13 0.574 1.567 6.976 109 HG2 LYS 13 1HG LYS 13 1.096 3.996 7.596 110 HG3 LYS 13 2HG LYS 13 -0.474 4.369 6.872 111 HD2 LYS 13 1HD LYS 13 -1.563 2.777 8.353 112 HD3 LYS 13 2HD LYS 13 -0.007 2.334 9.050 113 HE2 LYS 13 1HE LYS 13 0.233 4.689 9.835 114 HE3 LYS 13 2HE LYS 13 -1.408 4.997 9.259 115 HZ1 LYS 13 3HZ LYS 13 -0.603 3.049 11.353 116 HZ2 LYS 13 1HZ LYS 13 -2.180 3.216 10.751 117 HZ3 LYS 13 2HZ LYS 13 -1.455 4.496 11.594 118 H GLU 14 H GLU 14 3.187 1.820 6.767 119 HA GLU 14 HA GLU 14 4.205 4.428 7.441 120 HB2 GLU 14 1HB GLU 14 5.185 1.689 8.238 121 HB3 GLU 14 2HB GLU 14 5.708 3.217 8.940 122 HG2 GLU 14 1HG GLU 14 3.248 3.601 9.500 123 HG3 GLU 14 2HG GLU 14 3.029 1.889 9.147 124 H PHE 15 H PHE 15 4.808 2.204 4.981 125 HA PHE 15 HA PHE 15 7.547 3.096 4.570 126 HB2 PHE 15 1HB PHE 15 6.955 0.739 4.145 127 HB3 PHE 15 2HB PHE 15 5.797 1.251 2.924 128 HD1 PHE 15 HD1 PHE 15 9.412 1.323 3.774 129 HD2 PHE 15 HD2 PHE 15 6.468 1.509 0.706 130 HE1 PHE 15 HE1 PHE 15 11.185 1.209 2.072 131 HE2 PHE 15 HE2 PHE 15 8.237 1.404 -1.000 132 HZ PHE 15 HZ PHE 15 10.597 1.250 -0.319 133 H VAL 16 H VAL 16 4.330 3.781 3.503 134 HA VAL 16 HA VAL 16 5.025 5.104 1.092 135 HB VAL 16 HB VAL 16 2.512 5.302 2.758 136 HG11 VAL 16 1HG1 VAL 16 2.772 7.318 1.428 137 HG12 VAL 16 2HG1 VAL 16 1.481 6.313 0.767 138 HG13 VAL 16 3HG1 VAL 16 3.061 6.351 -0.018 139 HG21 VAL 16 3HG2 VAL 16 2.914 3.088 1.807 140 HG22 VAL 16 1HG2 VAL 16 3.096 3.801 0.206 141 HG23 VAL 16 2HG2 VAL 16 1.538 3.871 1.030 142 H LYS 17 H LYS 17 3.759 6.514 4.139 143 HA LYS 17 HA LYS 17 5.038 9.000 3.276 144 HB2 LYS 17 1HB LYS 17 3.534 10.011 5.090 145 HB3 LYS 17 2HB LYS 17 2.851 9.550 3.540 146 HG2 LYS 17 1HG LYS 17 2.066 7.442 4.582 147 HG3 LYS 17 2HG LYS 17 2.655 8.048 6.138 148 HD2 LYS 17 1HD LYS 17 1.223 10.000 5.929 149 HD3 LYS 17 2HD LYS 17 0.661 9.434 4.361 150 HE2 LYS 17 1HE LYS 17 -0.459 7.565 5.358 151 HE3 LYS 17 2HE LYS 17 0.272 7.899 6.929 152 HZ1 LYS 17 3HZ LYS 17 -1.689 9.628 5.510 153 HZ2 LYS 17 1HZ LYS 17 -0.945 10.004 6.985 154 HZ3 LYS 17 2HZ LYS 17 -1.998 8.681 6.881 155 H ARG 18 H ARG 18 5.042 6.692 5.867 156 HA ARG 18 HA ARG 18 6.590 8.408 7.598 157 HB2 ARG 18 1HB ARG 18 5.765 5.516 7.836 158 HB3 ARG 18 2HB ARG 18 6.789 6.312 9.019 159 HG2 ARG 18 1HG ARG 18 4.989 7.941 9.447 160 HG3 ARG 18 2HG ARG 18 3.964 7.076 8.301 161 HD2 ARG 18 1HD ARG 18 4.002 5.092 9.685 162 HD3 ARG 18 2HD ARG 18 5.165 5.841 10.781 163 HE ARG 18 HE ARG 18 2.869 7.461 10.624 164 HH11 ARG 18 1HH1 ARG 18 3.900 4.364 11.936 165 HH12 ARG 18 2HH1 ARG 18 2.701 4.376 13.203 166 HH21 ARG 18 1HH2 ARG 18 1.320 7.461 12.311 167 HH22 ARG 18 2HH2 ARG 18 1.253 6.123 13.419 168 H HIS 19 H HIS 19 7.384 6.804 4.850 169 HA HIS 19 HA HIS 19 10.184 6.649 5.699 170 HB2 HIS 19 1HB HIS 19 8.563 4.458 4.530 171 HB3 HIS 19 2HB HIS 19 10.204 4.640 3.919 172 HD1 HIS 19 HD1 HIS 19 8.311 3.720 7.049 173 HD2 HIS 19 HD2 HIS 19 12.218 3.950 5.654 174 HE1 HIS 19 HE1 HIS 19 9.751 2.527 8.759 175 H GLN 20 H GLN 20 10.095 8.775 4.642 176 HA GLN 20 HA GLN 20 11.001 10.113 3.076 177 HB2 GLN 20 1HB GLN 20 12.772 9.322 1.810 178 HB3 GLN 20 2HB GLN 20 12.681 8.165 3.132 179 HG2 GLN 20 1HG GLN 20 11.433 6.647 1.705 180 HG3 GLN 20 2HG GLN 20 11.544 7.791 0.376 181 HE21 GLN 20 1HE2 GLN 20 12.445 5.075 0.491 182 HE22 GLN 20 2HE2 GLN 20 14.152 5.108 0.177 183 H ARG 21 H ARG 21 8.351 8.483 2.358 184 HA ARG 21 HA ARG 21 6.817 8.465 0.681 185 HB2 ARG 21 1HB ARG 21 8.712 10.468 -0.536 186 HB3 ARG 21 2HB ARG 21 7.308 9.883 -1.414 187 HG2 ARG 21 1HG ARG 21 5.818 10.844 0.137 188 HG3 ARG 21 2HG ARG 21 7.112 11.158 1.296 189 HD2 ARG 21 1HD ARG 21 6.341 13.169 0.015 190 HD3 ARG 21 2HD ARG 21 8.067 12.834 -0.098 191 HE ARG 21 HE ARG 21 6.099 12.261 -2.227 192 HH11 ARG 21 1HH1 ARG 21 9.364 12.975 -1.174 193 HH12 ARG 21 2HH1 ARG 21 9.982 13.166 -2.789 194 HH21 ARG 21 1HH2 ARG 21 6.906 12.525 -4.354 195 HH22 ARG 21 2HH2 ARG 21 8.588 12.915 -4.596 196 H ILE 22 H ILE 22 6.580 7.732 -1.675 197 HA ILE 22 HA ILE 22 8.857 6.262 -2.688 198 HB ILE 22 HB ILE 22 7.876 4.744 -0.967 199 HG12 ILE 22 1HG1 ILE 22 7.496 2.757 -2.537 200 HG13 ILE 22 2HG1 ILE 22 7.707 3.889 -3.862 201 HG21 ILE 22 1HG2 ILE 22 5.458 4.684 -2.757 202 HG22 ILE 22 2HG2 ILE 22 5.551 5.529 -1.217 203 HG23 ILE 22 3HG2 ILE 22 5.697 3.771 -1.268 204 HD11 ILE 22 3HD1 ILE 22 9.788 3.495 -1.730 205 HD12 ILE 22 1HD1 ILE 22 9.971 4.271 -3.302 206 HD13 ILE 22 2HD1 ILE 22 9.727 2.529 -3.201 207 H THR 23 H THR 23 8.718 5.892 -4.853 208 HA THR 23 HA THR 23 6.527 7.013 -6.323 209 HB THR 23 HB THR 23 7.852 5.969 -8.283 210 HG1 THR 23 HG1 THR 23 10.057 5.490 -7.680 211 HG21 THR 23 3HG2 THR 23 9.123 8.044 -6.486 212 HG22 THR 23 1HG2 THR 23 7.941 8.344 -7.760 213 HG23 THR 23 2HG2 THR 23 9.554 7.761 -8.173 214 H GLN 24 H GLN 24 5.106 5.855 -7.721 215 HA GLN 24 HA GLN 24 4.012 3.572 -6.492 216 HB2 GLN 24 1HB GLN 24 2.673 5.154 -7.818 217 HB3 GLN 24 2HB GLN 24 3.496 4.622 -9.278 218 HG2 GLN 24 1HG GLN 24 2.572 2.401 -9.032 219 HG3 GLN 24 2HG GLN 24 1.814 2.862 -7.510 220 HE21 GLN 24 1HE2 GLN 24 0.010 4.185 -7.536 221 HE22 GLN 24 2HE2 GLN 24 -0.921 4.448 -8.971 222 H GLU 25 H GLU 25 6.248 3.907 -9.166 223 HA GLU 25 HA GLU 25 6.105 1.337 -10.240 224 HB2 GLU 25 1HB GLU 25 7.359 3.190 -11.260 225 HB3 GLU 25 2HB GLU 25 8.522 3.123 -9.943 226 HG2 GLU 25 1HG GLU 25 9.188 0.886 -10.626 227 HG3 GLU 25 2HG GLU 25 8.002 0.925 -11.931 228 H GLU 26 H GLU 26 8.375 2.572 -7.794 229 HA GLU 26 HA GLU 26 9.507 0.090 -7.102 230 HB2 GLU 26 1HB GLU 26 9.237 2.654 -5.527 231 HB3 GLU 26 2HB GLU 26 10.227 1.293 -5.024 232 HG2 GLU 26 1HG GLU 26 10.603 2.833 -7.579 233 HG3 GLU 26 2HG GLU 26 11.502 3.116 -6.090 234 H LEU 27 H LEU 27 6.787 1.919 -5.840 235 HA LEU 27 HA LEU 27 6.279 0.398 -3.555 236 HB2 LEU 27 1HB LEU 27 5.412 2.672 -4.060 237 HB3 LEU 27 2HB LEU 27 4.327 1.963 -5.236 238 HG LEU 27 HG LEU 27 3.187 0.718 -3.442 239 HD11 LEU 27 1HD1 LEU 27 3.645 1.456 -1.091 240 HD12 LEU 27 2HD1 LEU 27 5.144 2.176 -1.679 241 HD13 LEU 27 3HD1 LEU 27 4.888 0.434 -1.809 242 HD21 LEU 27 3HD2 LEU 27 2.097 2.653 -2.408 243 HD22 LEU 27 1HD2 LEU 27 2.349 2.901 -4.137 244 HD23 LEU 27 2HD2 LEU 27 3.410 3.689 -2.969 245 H HIS 28 H HIS 28 5.117 0.031 -6.889 246 HA HIS 28 HA HIS 28 3.163 -1.923 -6.237 247 HB2 HIS 28 1HB HIS 28 3.170 -0.557 -8.347 248 HB3 HIS 28 2HB HIS 28 4.495 -1.564 -8.928 249 HD1 HIS 28 HD1 HIS 28 3.854 -4.251 -8.979 250 HD2 HIS 28 HD2 HIS 28 0.723 -1.524 -8.933 251 HE1 HIS 28 HE1 HIS 28 1.788 -5.545 -9.602 252 H GLN 29 H GLN 29 6.515 -2.174 -7.421 253 HA GLN 29 HA GLN 29 6.603 -4.987 -7.530 254 HB2 GLN 29 1HB GLN 29 8.677 -2.851 -7.263 255 HB3 GLN 29 2HB GLN 29 9.144 -4.521 -6.971 256 HG2 GLN 29 1HG GLN 29 7.918 -3.430 -9.495 257 HG3 GLN 29 2HG GLN 29 9.605 -3.890 -9.262 258 HE21 GLN 29 1HE2 GLN 29 6.375 -5.002 -9.769 259 HE22 GLN 29 2HE2 GLN 29 6.764 -6.673 -10.028 260 H TYR 30 H TYR 30 7.008 -2.705 -4.930 261 HA TYR 30 HA TYR 30 7.876 -4.562 -2.967 262 HB2 TYR 30 1HB TYR 30 8.011 -1.975 -2.981 263 HB3 TYR 30 2HB TYR 30 6.358 -2.028 -2.382 264 HD1 TYR 30 HD1 TYR 30 9.436 -3.993 -1.594 265 HD2 TYR 30 HD2 TYR 30 6.307 -1.511 -0.135 266 HE1 TYR 30 HE1 TYR 30 10.313 -4.239 0.686 267 HE2 TYR 30 HE2 TYR 30 7.172 -1.759 2.154 268 HH TYR 30 HH TYR 30 10.257 -3.165 2.806 269 H ALA 31 H ALA 31 4.794 -3.737 -4.327 270 HA ALA 31 HA ALA 31 3.161 -4.575 -2.143 271 HB1 ALA 31 3HB ALA 31 1.323 -4.473 -3.772 272 HB2 ALA 31 1HB ALA 31 2.494 -4.278 -5.074 273 HB3 ALA 31 2HB ALA 31 2.333 -3.029 -3.838 274 H GLN 32 H GLN 32 3.944 -6.037 -5.276 275 HA GLN 32 HA GLN 32 2.633 -8.481 -4.821 276 HB2 GLN 32 1HB GLN 32 3.264 -7.625 -7.038 277 HB3 GLN 32 2HB GLN 32 4.958 -7.837 -6.645 278 HG2 GLN 32 1HG GLN 32 3.225 -10.225 -6.474 279 HG3 GLN 32 2HG GLN 32 3.568 -9.584 -8.079 280 HE21 GLN 32 1HE2 GLN 32 5.718 -9.538 -8.815 281 HE22 GLN 32 2HE2 GLN 32 6.931 -10.564 -8.109 282 H ARG 33 H ARG 33 5.919 -7.410 -4.130 283 HA ARG 33 HA ARG 33 6.964 -9.946 -3.456 284 HB2 ARG 33 1HB ARG 33 8.313 -7.911 -3.967 285 HB3 ARG 33 2HB ARG 33 7.872 -7.284 -2.385 286 HG2 ARG 33 1HG ARG 33 10.027 -8.243 -2.174 287 HG3 ARG 33 2HG ARG 33 8.888 -9.341 -1.394 288 HD2 ARG 33 1HD ARG 33 9.777 -9.714 -4.240 289 HD3 ARG 33 2HD ARG 33 10.671 -10.393 -2.883 290 HE ARG 33 HE ARG 33 8.476 -11.537 -2.319 291 HH11 ARG 33 1HH1 ARG 33 9.388 -10.688 -5.596 292 HH12 ARG 33 2HH1 ARG 33 8.450 -11.957 -6.324 293 HH21 ARG 33 1HH2 ARG 33 7.242 -13.215 -3.268 294 HH22 ARG 33 2HH2 ARG 33 7.254 -13.419 -4.995 295 H LEU 34 H LEU 34 5.367 -7.452 -1.498 296 HA LEU 34 HA LEU 34 5.788 -8.934 0.933 297 HB2 LEU 34 1HB LEU 34 4.032 -6.558 0.352 298 HB3 LEU 34 2HB LEU 34 4.297 -7.244 1.939 299 HG LEU 34 HG LEU 34 6.385 -5.921 0.212 300 HD11 LEU 34 1HD1 LEU 34 6.399 -4.224 1.964 301 HD12 LEU 34 2HD1 LEU 34 5.119 -5.084 2.819 302 HD13 LEU 34 3HD1 LEU 34 4.796 -4.370 1.239 303 HD21 LEU 34 3HD2 LEU 34 7.343 -7.764 1.489 304 HD22 LEU 34 1HD2 LEU 34 6.624 -7.123 2.966 305 HD23 LEU 34 2HD2 LEU 34 7.873 -6.206 2.125 306 H GLY 35 H GLY 35 3.245 -8.665 -1.455 307 HA2 GLY 35 1HA GLY 35 1.911 -10.754 -1.608 308 HA3 GLY 35 2HA GLY 35 1.707 -10.636 0.138 309 H LEU 36 H LEU 36 1.479 -7.987 -2.208 310 HA LEU 36 HA LEU 36 -1.341 -7.697 -1.444 311 HB2 LEU 36 1HB LEU 36 0.388 -5.752 -2.975 312 HB3 LEU 36 2HB LEU 36 -1.248 -5.480 -2.404 313 HG LEU 36 HG LEU 36 1.187 -5.844 -0.667 314 HD11 LEU 36 1HD1 LEU 36 -0.509 -3.411 -1.198 315 HD12 LEU 36 2HD1 LEU 36 1.119 -3.691 -1.815 316 HD13 LEU 36 3HD1 LEU 36 0.852 -3.508 -0.083 317 HD21 LEU 36 3HD2 LEU 36 -1.686 -5.293 0.072 318 HD22 LEU 36 1HD2 LEU 36 -0.320 -5.285 1.187 319 HD23 LEU 36 2HD2 LEU 36 -0.795 -6.781 0.385 320 H ASN 37 H ASN 37 -2.893 -8.182 -2.819 321 HA ASN 37 HA ASN 37 -2.264 -8.716 -5.596 322 HB2 ASN 37 1HB ASN 37 -4.526 -9.480 -5.839 323 HB3 ASN 37 2HB ASN 37 -3.908 -10.137 -4.334 324 HD21 ASN 37 1HD2 ASN 37 -4.274 -7.389 -3.070 325 HD22 ASN 37 2HD2 ASN 37 -5.963 -7.362 -2.696 326 H GLU 38 H GLU 38 -3.830 -7.672 -7.249 327 HA GLU 38 HA GLU 38 -3.104 -4.966 -7.326 328 HB2 GLU 38 1HB GLU 38 -5.156 -6.483 -8.944 329 HB3 GLU 38 2HB GLU 38 -4.539 -4.885 -9.349 330 HG2 GLU 38 1HG GLU 38 -2.484 -5.676 -9.963 331 HG3 GLU 38 2HG GLU 38 -2.592 -7.095 -8.925 332 H GLU 39 H GLU 39 -6.041 -6.539 -6.261 333 HA GLU 39 HA GLU 39 -7.732 -4.316 -6.074 334 HB2 GLU 39 1HB GLU 39 -8.529 -6.603 -5.812 335 HB3 GLU 39 2HB GLU 39 -7.595 -6.765 -4.327 336 HG2 GLU 39 1HG GLU 39 -9.927 -6.381 -3.815 337 HG3 GLU 39 2HG GLU 39 -8.953 -5.005 -3.292 338 H ALA 40 H ALA 40 -5.573 -5.749 -3.633 339 HA ALA 40 HA ALA 40 -6.254 -3.992 -1.539 340 HB1 ALA 40 3HB ALA 40 -3.682 -5.518 -1.939 341 HB2 ALA 40 1HB ALA 40 -5.132 -6.124 -1.138 342 HB3 ALA 40 2HB ALA 40 -4.228 -4.787 -0.430 343 H ILE 41 H ILE 41 -4.109 -3.722 -4.222 344 HA ILE 41 HA ILE 41 -2.560 -1.548 -3.239 345 HB ILE 41 HB ILE 41 -3.059 -2.288 -6.127 346 HG12 ILE 41 1HG1 ILE 41 -0.978 -3.333 -4.188 347 HG13 ILE 41 2HG1 ILE 41 -2.324 -4.254 -4.861 348 HG21 ILE 41 1HG2 ILE 41 -2.002 -0.113 -5.814 349 HG22 ILE 41 2HG2 ILE 41 -0.859 -1.267 -6.503 350 HG23 ILE 41 3HG2 ILE 41 -0.766 -0.847 -4.792 351 HD11 ILE 41 3HD1 ILE 41 -0.029 -3.098 -6.436 352 HD12 ILE 41 1HD1 ILE 41 -1.355 -4.069 -7.080 353 HD13 ILE 41 2HD1 ILE 41 -0.207 -4.782 -5.947 354 H ARG 42 H ARG 42 -5.222 -1.784 -5.599 355 HA ARG 42 HA ARG 42 -5.779 0.940 -5.878 356 HB2 ARG 42 1HB ARG 42 -6.821 -0.691 -7.339 357 HB3 ARG 42 2HB ARG 42 -7.619 -1.460 -5.979 358 HG2 ARG 42 1HG ARG 42 -8.433 1.211 -5.906 359 HG3 ARG 42 2HG ARG 42 -8.490 0.735 -7.606 360 HD2 ARG 42 1HD ARG 42 -10.214 -0.663 -7.276 361 HD3 ARG 42 2HD ARG 42 -9.537 -1.279 -5.769 362 HE ARG 42 HE ARG 42 -11.035 1.266 -5.981 363 HH11 ARG 42 1HH1 ARG 42 -10.326 -1.764 -4.339 364 HH12 ARG 42 2HH1 ARG 42 -11.239 -1.341 -2.922 365 HH21 ARG 42 1HH2 ARG 42 -12.249 1.801 -4.104 366 HH22 ARG 42 2HH2 ARG 42 -12.297 0.683 -2.762 367 H GLN 43 H GLN 43 -6.891 -1.421 -3.535 368 HA GLN 43 HA GLN 43 -8.843 -0.028 -2.185 369 HB2 GLN 43 1HB GLN 43 -8.299 -2.411 -1.897 370 HB3 GLN 43 2HB GLN 43 -6.812 -1.977 -1.075 371 HG2 GLN 43 1HG GLN 43 -9.411 -1.019 0.017 372 HG3 GLN 43 2HG GLN 43 -8.933 -2.698 0.256 373 HE21 GLN 43 1HE2 GLN 43 -6.061 -1.932 0.335 374 HE22 GLN 43 2HE2 GLN 43 -5.826 -1.247 1.906 375 H PHE 44 H PHE 44 -5.339 0.224 -1.818 376 HA PHE 44 HA PHE 44 -5.610 1.840 0.562 377 HB2 PHE 44 1HB PHE 44 -3.746 0.159 0.173 378 HB3 PHE 44 2HB PHE 44 -3.071 1.304 -0.982 379 HD1 PHE 44 HD1 PHE 44 -4.019 0.853 2.557 380 HD2 PHE 44 HD2 PHE 44 -1.790 3.141 -0.257 381 HE1 PHE 44 HE1 PHE 44 -2.908 2.035 4.405 382 HE2 PHE 44 HE2 PHE 44 -0.676 4.326 1.586 383 HZ PHE 44 HZ PHE 44 -1.241 3.780 3.920 384 H PHE 45 H PHE 45 -4.977 2.321 -2.857 385 HA PHE 45 HA PHE 45 -4.158 5.060 -2.516 386 HB2 PHE 45 1HB PHE 45 -4.636 3.295 -4.884 387 HB3 PHE 45 2HB PHE 45 -4.473 5.033 -5.097 388 HD1 PHE 45 HD1 PHE 45 -2.354 6.148 -4.624 389 HD2 PHE 45 HD2 PHE 45 -2.743 1.920 -4.328 390 HE1 PHE 45 HE1 PHE 45 0.091 5.924 -4.676 391 HE2 PHE 45 HE2 PHE 45 -0.296 1.692 -4.374 392 HZ PHE 45 HZ PHE 45 1.127 3.689 -4.551 393 H GLU 46 H GLU 46 -7.087 3.404 -3.569 394 HA GLU 46 HA GLU 46 -8.328 5.771 -4.557 395 HB2 GLU 46 1HB GLU 46 -8.828 3.421 -5.292 396 HB3 GLU 46 2HB GLU 46 -9.680 3.197 -3.769 397 HG2 GLU 46 1HG GLU 46 -11.143 5.103 -4.374 398 HG3 GLU 46 2HG GLU 46 -10.342 5.153 -5.945 399 H GLU 47 H GLU 47 -9.025 3.755 -1.708 400 HA GLU 47 HA GLU 47 -10.922 5.717 -0.743 401 HB2 GLU 47 1HB GLU 47 -10.038 3.048 0.364 402 HB3 GLU 47 2HB GLU 47 -11.300 4.046 1.071 403 HG2 GLU 47 1HG GLU 47 -12.657 3.828 -0.895 404 HG3 GLU 47 2HG GLU 47 -11.366 2.978 -1.739 405 H PHE 48 H PHE 48 -7.992 6.300 -0.842 406 HA PHE 48 HA PHE 48 -7.124 6.361 1.914 407 HB2 PHE 48 1HB PHE 48 -5.661 5.996 -0.129 408 HB3 PHE 48 2HB PHE 48 -5.824 7.718 -0.442 409 HD1 PHE 48 HD1 PHE 48 -4.670 5.270 2.089 410 HD2 PHE 48 HD2 PHE 48 -4.430 9.256 0.614 411 HE1 PHE 48 HE1 PHE 48 -2.788 5.718 3.609 412 HE2 PHE 48 HE2 PHE 48 -2.546 9.709 2.131 413 HZ PHE 48 HZ PHE 48 -1.724 7.939 3.630 414 H GLU 49 H GLU 49 -8.518 8.542 -0.419 415 HA GLU 49 HA GLU 49 -7.984 11.020 0.688 416 HB2 GLU 49 1HB GLU 49 -10.078 11.755 -0.422 417 HB3 GLU 49 2HB GLU 49 -9.050 10.782 -1.468 418 HG2 GLU 49 1HG GLU 49 -10.470 8.854 -1.156 419 HG3 GLU 49 2HG GLU 49 -11.436 9.715 0.042 420 H GLN 50 H GLN 50 -10.155 8.568 1.759 421 HA GLN 50 HA GLN 50 -11.483 10.384 3.623 422 HB2 GLN 50 1HB GLN 50 -13.164 8.537 3.789 423 HB3 GLN 50 2HB GLN 50 -12.997 9.245 2.187 424 HG2 GLN 50 1HG GLN 50 -12.661 7.249 1.337 425 HG3 GLN 50 2HG GLN 50 -11.197 7.072 2.306 426 HE21 GLN 50 1HE2 GLN 50 -12.640 7.127 4.842 427 HE22 GLN 50 2HE2 GLN 50 -13.415 5.581 4.974 428 H ARG 51 H ARG 51 -8.790 8.916 3.860 429 HA ARG 51 HA ARG 51 -9.384 7.648 6.447 430 HB2 ARG 51 1HB ARG 51 -7.357 6.816 4.375 431 HB3 ARG 51 2HB ARG 51 -7.371 6.201 6.025 432 HG2 ARG 51 1HG ARG 51 -9.619 5.330 5.687 433 HG3 ARG 51 2HG ARG 51 -9.612 5.958 4.040 434 HD2 ARG 51 1HD ARG 51 -7.723 4.500 3.497 435 HD3 ARG 51 2HD ARG 51 -7.747 3.862 5.143 436 HE ARG 51 HE ARG 51 -10.297 3.533 4.109 437 HH11 ARG 51 1HH1 ARG 51 -7.073 2.370 3.440 438 HH12 ARG 51 2HH1 ARG 51 -7.621 0.863 2.776 439 HH21 ARG 51 1HH2 ARG 51 -11.028 1.569 3.237 440 HH22 ARG 51 2HH2 ARG 51 -9.868 0.415 2.643 441 H LYS 52 H LYS 52 -8.893 10.348 6.154 442 HA LYS 52 HA LYS 52 -7.785 12.009 7.225 443 HB2 LYS 52 1HB LYS 52 -6.146 9.932 8.673 444 HB3 LYS 52 2HB LYS 52 -6.648 11.514 9.246 445 HG2 LYS 52 1HG LYS 52 -8.607 9.299 8.706 446 HG3 LYS 52 2HG LYS 52 -7.804 9.499 10.259 447 HD2 LYS 52 1HD LYS 52 -9.444 11.667 8.953 448 HD3 LYS 52 2HD LYS 52 -10.103 10.500 10.094 449 HE2 LYS 52 1HE LYS 52 -7.814 12.371 10.667 450 HE3 LYS 52 2HE LYS 52 -9.486 12.636 11.158 451 HZ1 LYS 52 3HZ LYS 52 -8.205 11.692 12.962 452 HZ2 LYS 52 1HZ LYS 52 -7.762 10.365 12.004 453 HZ3 LYS 52 2HZ LYS 52 -9.378 10.585 12.453 Start of MODEL 26 1 H1 MET 1 1H MET 1 -6.847 -8.959 5.528 2 H2 MET 1 2H MET 1 -7.117 -10.405 4.683 3 H3 MET 1 3H MET 1 -6.503 -10.447 6.260 4 HA MET 1 HA MET 1 -8.739 -11.025 6.468 5 HB2 MET 1 1HB MET 1 -8.027 -9.409 8.154 6 HB3 MET 1 2HB MET 1 -8.393 -8.075 7.069 7 HG2 MET 1 1HG MET 1 -10.776 -8.784 7.103 8 HG3 MET 1 2HG MET 1 -10.353 -9.975 8.330 9 HE1 MET 1 3HE MET 1 -8.941 -6.322 7.865 10 HE2 MET 1 1HE MET 1 -10.008 -5.409 8.933 11 HE3 MET 1 2HE MET 1 -10.651 -6.156 7.470 12 H LYS 2 H LYS 2 -8.605 -7.871 4.740 13 HA LYS 2 HA LYS 2 -11.253 -8.515 3.722 14 HB2 LYS 2 1HB LYS 2 -11.038 -6.410 4.986 15 HB3 LYS 2 2HB LYS 2 -9.904 -5.833 3.770 16 HG2 LYS 2 1HG LYS 2 -11.614 -5.853 2.087 17 HG3 LYS 2 2HG LYS 2 -12.758 -6.605 3.200 18 HD2 LYS 2 1HD LYS 2 -11.514 -3.882 3.574 19 HD3 LYS 2 2HD LYS 2 -13.132 -4.179 2.935 20 HE2 LYS 2 1HE LYS 2 -12.179 -5.058 5.659 21 HE3 LYS 2 2HE LYS 2 -13.099 -3.585 5.353 22 HZ1 LYS 2 3HZ LYS 2 -14.573 -5.311 6.067 23 HZ2 LYS 2 1HZ LYS 2 -14.008 -6.375 4.872 24 HZ3 LYS 2 2HZ LYS 2 -14.887 -4.986 4.438 25 H GLN 3 H GLN 3 -8.084 -7.808 2.702 26 HA GLN 3 HA GLN 3 -8.582 -8.658 0.024 27 HB2 GLN 3 1HB GLN 3 -8.618 -5.769 0.627 28 HB3 GLN 3 2HB GLN 3 -7.595 -6.237 -0.725 29 HG2 GLN 3 1HG GLN 3 -9.477 -7.297 -1.816 30 HG3 GLN 3 2HG GLN 3 -10.512 -6.926 -0.439 31 HE21 GLN 3 1HE2 GLN 3 -11.259 -4.857 -0.151 32 HE22 GLN 3 2HE2 GLN 3 -11.141 -3.642 -1.376 33 H TRP 4 H TRP 4 -6.365 -6.500 1.802 34 HA TRP 4 HA TRP 4 -4.140 -7.959 0.597 35 HB2 TRP 4 1HB TRP 4 -2.889 -6.020 1.975 36 HB3 TRP 4 2HB TRP 4 -3.459 -5.823 0.329 37 HD1 TRP 4 HD1 TRP 4 -4.774 -3.687 -0.039 38 HE1 TRP 4 HE1 TRP 4 -6.156 -2.068 1.393 39 HE3 TRP 4 HE3 TRP 4 -4.502 -6.134 4.436 40 HZ2 TRP 4 HZ2 TRP 4 -7.011 -1.844 4.061 41 HZ3 TRP 4 HZ3 TRP 4 -5.631 -5.142 6.385 42 HH2 TRP 4 HH2 TRP 4 -6.857 -3.037 6.193 43 H SER 5 H SER 5 -2.199 -8.172 2.029 44 HA SER 5 HA SER 5 -2.843 -9.491 4.480 45 HB2 SER 5 1HB SER 5 -0.939 -10.254 3.154 46 HB3 SER 5 2HB SER 5 -0.183 -8.671 3.293 47 HG SER 5 HG SER 5 0.757 -9.937 4.833 48 H GLU 6 H GLU 6 -3.243 -8.448 6.338 49 HA GLU 6 HA GLU 6 -3.095 -5.728 6.731 50 HB2 GLU 6 1HB GLU 6 -3.046 -7.943 8.695 51 HB3 GLU 6 2HB GLU 6 -3.115 -6.271 9.196 52 HG2 GLU 6 1HG GLU 6 -5.321 -7.261 9.219 53 HG3 GLU 6 2HG GLU 6 -5.224 -6.012 7.980 54 H ASN 7 H ASN 7 -0.571 -8.064 6.965 55 HA ASN 7 HA ASN 7 1.261 -6.546 8.522 56 HB2 ASN 7 1HB ASN 7 1.643 -8.807 6.560 57 HB3 ASN 7 2HB ASN 7 2.987 -8.064 7.412 58 HD21 ASN 7 1HD2 ASN 7 -0.148 -8.499 8.896 59 HD22 ASN 7 2HD2 ASN 7 0.335 -9.736 10.002 60 H VAL 8 H VAL 8 0.305 -6.508 5.198 61 HA VAL 8 HA VAL 8 2.609 -4.995 4.325 62 HB VAL 8 HB VAL 8 0.059 -5.447 2.783 63 HG11 VAL 8 1HG1 VAL 8 1.753 -5.258 0.867 64 HG12 VAL 8 2HG1 VAL 8 2.832 -4.559 2.073 65 HG13 VAL 8 3HG1 VAL 8 1.289 -3.785 1.715 66 HG21 VAL 8 3HG2 VAL 8 2.518 -7.187 2.914 67 HG22 VAL 8 1HG2 VAL 8 1.214 -7.362 1.739 68 HG23 VAL 8 2HG2 VAL 8 0.896 -7.609 3.453 69 H GLU 9 H GLU 9 -0.900 -4.404 4.644 70 HA GLU 9 HA GLU 9 -1.074 -1.729 4.182 71 HB2 GLU 9 1HB GLU 9 -2.981 -3.145 4.813 72 HB3 GLU 9 2HB GLU 9 -2.372 -3.248 6.457 73 HG2 GLU 9 1HG GLU 9 -2.964 -0.566 5.308 74 HG3 GLU 9 2HG GLU 9 -4.302 -1.594 5.811 75 H GLU 10 H GLU 10 0.010 -3.264 7.168 76 HA GLU 10 HA GLU 10 0.570 -1.030 8.708 77 HB2 GLU 10 1HB GLU 10 0.683 -3.189 9.700 78 HB3 GLU 10 2HB GLU 10 1.876 -3.744 8.537 79 HG2 GLU 10 1HG GLU 10 3.404 -1.947 9.541 80 HG3 GLU 10 2HG GLU 10 2.242 -1.899 10.867 81 H LYS 11 H LYS 11 2.956 -2.865 6.782 82 HA LYS 11 HA LYS 11 4.970 -0.940 7.452 83 HB2 LYS 11 1HB LYS 11 5.308 -3.420 7.296 84 HB3 LYS 11 2HB LYS 11 5.197 -3.266 5.548 85 HG2 LYS 11 1HG LYS 11 7.165 -1.916 5.474 86 HG3 LYS 11 2HG LYS 11 7.219 -1.806 7.232 87 HD2 LYS 11 1HD LYS 11 7.419 -4.423 5.753 88 HD3 LYS 11 2HD LYS 11 8.828 -3.440 6.148 89 HE2 LYS 11 1HE LYS 11 8.676 -5.021 7.879 90 HE3 LYS 11 2HE LYS 11 8.037 -3.528 8.557 91 HZ1 LYS 11 3HZ LYS 11 6.448 -5.835 7.561 92 HZ2 LYS 11 1HZ LYS 11 5.788 -4.376 8.127 93 HZ3 LYS 11 2HZ LYS 11 6.658 -5.372 9.181 94 H LEU 12 H LEU 12 2.963 -1.533 4.657 95 HA LEU 12 HA LEU 12 4.573 0.011 2.856 96 HB2 LEU 12 1HB LEU 12 2.991 -1.710 2.078 97 HB3 LEU 12 2HB LEU 12 1.655 -0.740 2.667 98 HG LEU 12 HG LEU 12 2.299 1.039 1.046 99 HD11 LEU 12 1HD1 LEU 12 3.840 0.445 -0.768 100 HD12 LEU 12 2HD1 LEU 12 4.219 -1.064 0.060 101 HD13 LEU 12 3HD1 LEU 12 4.649 0.478 0.797 102 HD21 LEU 12 3HD2 LEU 12 0.564 -0.659 0.571 103 HD22 LEU 12 1HD2 LEU 12 1.792 -1.655 -0.206 104 HD23 LEU 12 2HD2 LEU 12 1.377 -0.077 -0.878 105 H LYS 13 H LYS 13 1.783 0.626 4.912 106 HA LYS 13 HA LYS 13 1.307 3.301 4.192 107 HB2 LYS 13 1HB LYS 13 -0.278 2.093 5.529 108 HB3 LYS 13 2HB LYS 13 0.919 1.797 6.776 109 HG2 LYS 13 1HG LYS 13 0.962 4.226 7.250 110 HG3 LYS 13 2HG LYS 13 -0.342 4.436 6.074 111 HD2 LYS 13 1HD LYS 13 -1.159 4.261 8.409 112 HD3 LYS 13 2HD LYS 13 -1.794 2.996 7.355 113 HE2 LYS 13 1HE LYS 13 0.133 1.557 8.189 114 HE3 LYS 13 2HE LYS 13 0.370 2.781 9.435 115 HZ1 LYS 13 3HZ LYS 13 -0.995 1.015 10.272 116 HZ2 LYS 13 1HZ LYS 13 -2.084 1.169 8.980 117 HZ3 LYS 13 2HZ LYS 13 -1.937 2.413 10.133 118 H GLU 14 H GLU 14 3.476 1.822 6.545 119 HA GLU 14 HA GLU 14 4.629 4.076 7.657 120 HB2 GLU 14 1HB GLU 14 6.067 1.539 6.857 121 HB3 GLU 14 2HB GLU 14 6.618 2.710 8.045 122 HG2 GLU 14 1HG GLU 14 4.133 1.028 8.262 123 HG3 GLU 14 2HG GLU 14 5.663 0.714 9.077 124 H PHE 15 H PHE 15 5.536 2.367 4.673 125 HA PHE 15 HA PHE 15 7.607 4.071 3.903 126 HB2 PHE 15 1HB PHE 15 5.876 2.097 2.534 127 HB3 PHE 15 2HB PHE 15 6.632 3.299 1.497 128 HD1 PHE 15 HD1 PHE 15 8.409 2.339 4.498 129 HD2 PHE 15 HD2 PHE 15 7.822 1.437 0.372 130 HE1 PHE 15 HE1 PHE 15 10.495 1.037 4.489 131 HE2 PHE 15 HE2 PHE 15 9.914 0.141 0.362 132 HZ PHE 15 HZ PHE 15 11.251 -0.063 2.421 133 H VAL 16 H VAL 16 4.217 4.113 2.810 134 HA VAL 16 HA VAL 16 4.574 6.231 1.006 135 HB VAL 16 HB VAL 16 1.990 5.363 2.304 136 HG11 VAL 16 1HG1 VAL 16 1.819 7.512 1.163 137 HG12 VAL 16 2HG1 VAL 16 0.937 6.260 0.287 138 HG13 VAL 16 3HG1 VAL 16 2.514 6.800 -0.294 139 HG21 VAL 16 3HG2 VAL 16 1.712 3.915 0.353 140 HG22 VAL 16 1HG2 VAL 16 3.152 3.480 1.279 141 HG23 VAL 16 2HG2 VAL 16 3.310 4.388 -0.227 142 H LYS 17 H LYS 17 3.593 6.288 4.415 143 HA LYS 17 HA LYS 17 3.104 9.177 4.136 144 HB2 LYS 17 1HB LYS 17 2.118 7.181 6.164 145 HB3 LYS 17 2HB LYS 17 1.906 8.916 6.343 146 HG2 LYS 17 1HG LYS 17 0.885 7.332 4.002 147 HG3 LYS 17 2HG LYS 17 -0.069 7.708 5.438 148 HD2 LYS 17 1HD LYS 17 1.184 9.728 3.576 149 HD3 LYS 17 2HD LYS 17 -0.520 9.283 3.610 150 HE2 LYS 17 1HE LYS 17 1.000 10.512 5.910 151 HE3 LYS 17 2HE LYS 17 -0.047 11.398 4.802 152 HZ1 LYS 17 3HZ LYS 17 -1.217 10.866 6.835 153 HZ2 LYS 17 1HZ LYS 17 -0.896 9.212 6.634 154 HZ3 LYS 17 2HZ LYS 17 -1.906 10.023 5.536 155 H ARG 18 H ARG 18 5.361 6.996 5.466 156 HA ARG 18 HA ARG 18 6.182 9.015 7.458 157 HB2 ARG 18 1HB ARG 18 6.509 6.069 7.944 158 HB3 ARG 18 2HB ARG 18 6.460 7.387 9.116 159 HG2 ARG 18 1HG ARG 18 4.077 7.707 8.649 160 HG3 ARG 18 2HG ARG 18 4.131 6.374 7.495 161 HD2 ARG 18 1HD ARG 18 3.305 5.348 9.396 162 HD3 ARG 18 2HD ARG 18 5.033 5.008 9.505 163 HE ARG 18 HE ARG 18 4.771 7.320 10.894 164 HH11 ARG 18 1HH1 ARG 18 3.252 4.157 11.093 165 HH12 ARG 18 2HH1 ARG 18 2.831 4.338 12.777 166 HH21 ARG 18 1HH2 ARG 18 4.249 7.549 13.067 167 HH22 ARG 18 2HH2 ARG 18 3.416 6.277 13.913 168 H HIS 19 H HIS 19 7.169 6.643 5.101 169 HA HIS 19 HA HIS 19 9.981 7.167 5.763 170 HB2 HIS 19 1HB HIS 19 8.656 4.832 4.399 171 HB3 HIS 19 2HB HIS 19 10.395 5.088 4.322 172 HD1 HIS 19 HD1 HIS 19 11.641 3.824 6.105 173 HD2 HIS 19 HD2 HIS 19 7.763 4.773 7.260 174 HE1 HIS 19 HE1 HIS 19 11.300 2.779 8.382 175 H GLN 20 H GLN 20 9.355 9.247 4.583 176 HA GLN 20 HA GLN 20 9.670 10.666 2.872 177 HB2 GLN 20 1HB GLN 20 11.652 10.395 1.566 178 HB3 GLN 20 2HB GLN 20 11.958 9.800 3.188 179 HG2 GLN 20 1HG GLN 20 11.428 7.493 2.221 180 HG3 GLN 20 2HG GLN 20 11.643 8.255 0.648 181 HE21 GLN 20 1HE2 GLN 20 13.680 9.018 0.057 182 HE22 GLN 20 2HE2 GLN 20 15.118 8.508 0.872 183 H ARG 21 H ARG 21 7.782 8.294 2.396 184 HA ARG 21 HA ARG 21 6.242 7.741 0.843 185 HB2 ARG 21 1HB ARG 21 7.336 10.125 -0.646 186 HB3 ARG 21 2HB ARG 21 5.881 9.252 -1.096 187 HG2 ARG 21 1HG ARG 21 5.018 9.797 1.193 188 HG3 ARG 21 2HG ARG 21 6.385 10.892 1.361 189 HD2 ARG 21 1HD ARG 21 5.637 12.212 -0.483 190 HD3 ARG 21 2HD ARG 21 4.387 11.032 -0.888 191 HE ARG 21 HE ARG 21 4.385 12.734 1.525 192 HH11 ARG 21 1HH1 ARG 21 2.700 10.909 -0.946 193 HH12 ARG 21 2HH1 ARG 21 1.120 11.239 -0.290 194 HH21 ARG 21 1HH2 ARG 21 2.328 13.178 2.383 195 HH22 ARG 21 2HH2 ARG 21 0.907 12.541 1.601 196 H ILE 22 H ILE 22 6.030 7.218 -1.652 197 HA ILE 22 HA ILE 22 8.458 6.304 -2.877 198 HB ILE 22 HB ILE 22 8.258 4.610 -1.145 199 HG12 ILE 22 1HG1 ILE 22 7.421 3.423 -3.797 200 HG13 ILE 22 2HG1 ILE 22 9.056 3.962 -3.422 201 HG21 ILE 22 1HG2 ILE 22 6.326 3.065 -1.100 202 HG22 ILE 22 2HG2 ILE 22 5.504 4.116 -2.253 203 HG23 ILE 22 3HG2 ILE 22 5.916 4.719 -0.648 204 HD11 ILE 22 3HD1 ILE 22 8.893 1.575 -3.167 205 HD12 ILE 22 1HD1 ILE 22 7.541 1.756 -2.049 206 HD13 ILE 22 2HD1 ILE 22 9.148 2.323 -1.590 207 H THR 23 H THR 23 8.169 5.974 -5.038 208 HA THR 23 HA THR 23 5.680 6.749 -6.175 209 HB THR 23 HB THR 23 6.992 5.813 -8.318 210 HG1 THR 23 HG1 THR 23 9.297 6.674 -7.403 211 HG21 THR 23 3HG2 THR 23 6.273 8.117 -7.962 212 HG22 THR 23 1HG2 THR 23 7.932 8.072 -8.556 213 HG23 THR 23 2HG2 THR 23 7.615 8.374 -6.848 214 H GLN 24 H GLN 24 4.399 5.526 -7.686 215 HA GLN 24 HA GLN 24 3.393 3.261 -6.408 216 HB2 GLN 24 1HB GLN 24 2.046 4.769 -7.817 217 HB3 GLN 24 2HB GLN 24 2.878 4.162 -9.241 218 HG2 GLN 24 1HG GLN 24 2.010 1.907 -8.744 219 HG3 GLN 24 2HG GLN 24 1.108 2.587 -7.391 220 HE21 GLN 24 1HE2 GLN 24 -0.857 1.982 -8.249 221 HE22 GLN 24 2HE2 GLN 24 -1.561 2.775 -9.615 222 H GLU 25 H GLU 25 5.455 3.501 -9.287 223 HA GLU 25 HA GLU 25 5.219 0.807 -10.068 224 HB2 GLU 25 1HB GLU 25 6.170 2.637 -11.477 225 HB3 GLU 25 2HB GLU 25 7.622 2.589 -10.484 226 HG2 GLU 25 1HG GLU 25 7.989 0.262 -11.134 227 HG3 GLU 25 2HG GLU 25 6.544 0.320 -12.145 228 H GLU 26 H GLU 26 7.763 2.396 -8.144 229 HA GLU 26 HA GLU 26 9.181 0.026 -7.545 230 HB2 GLU 26 1HB GLU 26 10.114 2.319 -7.318 231 HB3 GLU 26 2HB GLU 26 9.048 2.595 -5.948 232 HG2 GLU 26 1HG GLU 26 10.166 0.843 -4.695 233 HG3 GLU 26 2HG GLU 26 11.196 0.488 -6.081 234 H LEU 27 H LEU 27 6.595 1.770 -5.939 235 HA LEU 27 HA LEU 27 6.383 0.291 -3.587 236 HB2 LEU 27 1HB LEU 27 5.217 2.376 -3.913 237 HB3 LEU 27 2HB LEU 27 4.310 1.715 -5.254 238 HG LEU 27 HG LEU 27 3.966 0.449 -2.570 239 HD11 LEU 27 1HD1 LEU 27 2.659 3.034 -3.408 240 HD12 LEU 27 2HD1 LEU 27 3.854 2.858 -2.122 241 HD13 LEU 27 3HD1 LEU 27 2.274 2.091 -1.968 242 HD21 LEU 27 3HD2 LEU 27 2.138 1.039 -4.901 243 HD22 LEU 27 1HD2 LEU 27 1.648 0.224 -3.419 244 HD23 LEU 27 2HD2 LEU 27 2.835 -0.526 -4.486 245 H HIS 28 H HIS 28 5.098 -0.320 -6.819 246 HA HIS 28 HA HIS 28 3.330 -2.387 -6.100 247 HB2 HIS 28 1HB HIS 28 3.456 -1.064 -8.303 248 HB3 HIS 28 2HB HIS 28 4.690 -2.224 -8.780 249 HD1 HIS 28 HD1 HIS 28 3.354 -4.824 -7.691 250 HD2 HIS 28 HD2 HIS 28 1.367 -1.850 -9.809 251 HE1 HIS 28 HE1 HIS 28 1.299 -5.909 -8.678 252 H GLN 29 H GLN 29 6.737 -2.417 -7.039 253 HA GLN 29 HA GLN 29 6.964 -5.249 -7.163 254 HB2 GLN 29 1HB GLN 29 9.123 -3.206 -6.600 255 HB3 GLN 29 2HB GLN 29 9.385 -4.877 -7.079 256 HG2 GLN 29 1HG GLN 29 8.075 -2.731 -8.734 257 HG3 GLN 29 2HG GLN 29 9.698 -3.377 -8.952 258 HE21 GLN 29 1HE2 GLN 29 8.846 -6.129 -8.385 259 HE22 GLN 29 2HE2 GLN 29 7.988 -6.657 -9.797 260 H TYR 30 H TYR 30 7.432 -2.853 -4.650 261 HA TYR 30 HA TYR 30 8.338 -4.624 -2.626 262 HB2 TYR 30 1HB TYR 30 8.673 -2.174 -2.585 263 HB3 TYR 30 2HB TYR 30 6.941 -1.943 -2.408 264 HD1 TYR 30 HD1 TYR 30 9.543 -4.035 -0.714 265 HD2 TYR 30 HD2 TYR 30 6.331 -1.277 -0.295 266 HE1 TYR 30 HE1 TYR 30 9.804 -4.111 1.728 267 HE2 TYR 30 HE2 TYR 30 6.580 -1.353 2.149 268 HH TYR 30 HH TYR 30 9.284 -2.695 3.682 269 H ALA 31 H ALA 31 5.209 -3.658 -3.817 270 HA ALA 31 HA ALA 31 3.613 -4.514 -1.664 271 HB1 ALA 31 3HB ALA 31 1.772 -4.455 -3.283 272 HB2 ALA 31 1HB ALA 31 2.939 -4.324 -4.600 273 HB3 ALA 31 2HB ALA 31 2.798 -3.027 -3.413 274 H GLN 32 H GLN 32 4.585 -6.146 -4.657 275 HA GLN 32 HA GLN 32 3.102 -8.515 -4.104 276 HB2 GLN 32 1HB GLN 32 5.460 -8.266 -5.976 277 HB3 GLN 32 2HB GLN 32 4.189 -9.474 -6.030 278 HG2 GLN 32 1HG GLN 32 4.069 -6.585 -6.819 279 HG3 GLN 32 2HG GLN 32 3.705 -8.014 -7.771 280 HE21 GLN 32 1HE2 GLN 32 1.706 -8.936 -7.662 281 HE22 GLN 32 2HE2 GLN 32 0.378 -8.211 -6.822 282 H ARG 33 H ARG 33 6.258 -7.346 -3.330 283 HA ARG 33 HA ARG 33 7.510 -9.756 -2.592 284 HB2 ARG 33 1HB ARG 33 8.498 -7.384 -2.891 285 HB3 ARG 33 2HB ARG 33 7.972 -7.098 -1.243 286 HG2 ARG 33 1HG ARG 33 9.828 -9.330 -2.017 287 HG3 ARG 33 2HG ARG 33 10.376 -7.726 -1.542 288 HD2 ARG 33 1HD ARG 33 9.201 -8.013 0.617 289 HD3 ARG 33 2HD ARG 33 8.786 -9.657 0.135 290 HE ARG 33 HE ARG 33 11.527 -9.460 -0.129 291 HH11 ARG 33 1HH1 ARG 33 9.173 -9.218 2.464 292 HH12 ARG 33 2HH1 ARG 33 10.295 -9.689 3.703 293 HH21 ARG 33 1HH2 ARG 33 13.002 -10.083 1.491 294 HH22 ARG 33 2HH2 ARG 33 12.479 -10.175 3.152 295 H LEU 34 H LEU 34 5.522 -7.435 -0.789 296 HA LEU 34 HA LEU 34 5.798 -8.899 1.665 297 HB2 LEU 34 1HB LEU 34 4.082 -6.543 0.926 298 HB3 LEU 34 2HB LEU 34 4.243 -7.194 2.539 299 HG LEU 34 HG LEU 34 6.340 -5.792 0.906 300 HD11 LEU 34 1HD1 LEU 34 4.761 -4.361 2.052 301 HD12 LEU 34 2HD1 LEU 34 6.348 -4.253 2.814 302 HD13 LEU 34 3HD1 LEU 34 5.066 -5.199 3.571 303 HD21 LEU 34 3HD2 LEU 34 7.873 -6.182 2.789 304 HD22 LEU 34 1HD2 LEU 34 7.410 -7.680 1.983 305 HD23 LEU 34 2HD2 LEU 34 6.677 -7.249 3.528 306 H GLY 35 H GLY 35 3.485 -8.784 -0.944 307 HA2 GLY 35 1HA GLY 35 2.162 -10.892 -1.096 308 HA3 GLY 35 2HA GLY 35 1.782 -10.652 0.607 309 H LEU 36 H LEU 36 1.789 -8.180 -1.927 310 HA LEU 36 HA LEU 36 -1.046 -7.725 -1.392 311 HB2 LEU 36 1HB LEU 36 1.220 -6.077 -2.154 312 HB3 LEU 36 2HB LEU 36 -0.170 -5.802 -3.183 313 HG LEU 36 HG LEU 36 -0.284 -5.656 -0.175 314 HD11 LEU 36 1HD1 LEU 36 1.248 -3.953 -1.015 315 HD12 LEU 36 2HD1 LEU 36 -0.253 -3.228 -0.442 316 HD13 LEU 36 3HD1 LEU 36 0.026 -3.420 -2.171 317 HD21 LEU 36 3HD2 LEU 36 -2.442 -6.030 -1.107 318 HD22 LEU 36 1HD2 LEU 36 -2.170 -4.821 -2.364 319 HD23 LEU 36 2HD2 LEU 36 -2.333 -4.324 -0.681 320 H ASN 37 H ASN 37 -2.582 -7.796 -2.954 321 HA ASN 37 HA ASN 37 -1.790 -8.646 -5.648 322 HB2 ASN 37 1HB ASN 37 -4.305 -9.163 -5.859 323 HB3 ASN 37 2HB ASN 37 -3.338 -10.243 -4.865 324 HD21 ASN 37 1HD2 ASN 37 -5.509 -7.452 -4.694 325 HD22 ASN 37 2HD2 ASN 37 -6.145 -7.831 -3.130 326 H GLU 38 H GLU 38 -2.617 -7.493 -7.432 327 HA GLU 38 HA GLU 38 -2.488 -4.760 -7.281 328 HB2 GLU 38 1HB GLU 38 -3.947 -6.446 -9.312 329 HB3 GLU 38 2HB GLU 38 -3.645 -4.725 -9.508 330 HG2 GLU 38 1HG GLU 38 -1.279 -5.082 -9.530 331 HG3 GLU 38 2HG GLU 38 -1.484 -6.790 -9.147 332 H GLU 39 H GLU 39 -5.393 -6.729 -7.120 333 HA GLU 39 HA GLU 39 -7.402 -4.860 -7.125 334 HB2 GLU 39 1HB GLU 39 -7.947 -7.161 -7.042 335 HB3 GLU 39 2HB GLU 39 -7.014 -7.402 -5.569 336 HG2 GLU 39 1HG GLU 39 -8.650 -5.978 -4.368 337 HG3 GLU 39 2HG GLU 39 -9.612 -5.913 -5.847 338 H ALA 40 H ALA 40 -5.502 -5.963 -4.352 339 HA ALA 40 HA ALA 40 -6.876 -4.185 -2.545 340 HB1 ALA 40 3HB ALA 40 -4.554 -6.049 -2.105 341 HB2 ALA 40 1HB ALA 40 -6.252 -6.395 -1.784 342 HB3 ALA 40 2HB ALA 40 -5.409 -5.166 -0.841 343 H ILE 41 H ILE 41 -4.061 -4.152 -4.501 344 HA ILE 41 HA ILE 41 -2.582 -2.210 -3.104 345 HB ILE 41 HB ILE 41 -2.669 -2.678 -6.089 346 HG12 ILE 41 1HG1 ILE 41 -0.896 -3.834 -3.928 347 HG13 ILE 41 2HG1 ILE 41 -2.071 -4.707 -4.913 348 HG21 ILE 41 1HG2 ILE 41 -1.698 -0.512 -5.500 349 HG22 ILE 41 2HG2 ILE 41 -0.478 -1.613 -6.143 350 HG23 ILE 41 3HG2 ILE 41 -0.570 -1.313 -4.407 351 HD11 ILE 41 3HD1 ILE 41 -0.718 -4.240 -6.901 352 HD12 ILE 41 1HD1 ILE 41 0.183 -5.134 -5.677 353 HD13 ILE 41 2HD1 ILE 41 0.461 -3.405 -5.893 354 H ARG 42 H ARG 42 -4.867 -1.976 -5.789 355 HA ARG 42 HA ARG 42 -5.197 0.788 -5.897 356 HB2 ARG 42 1HB ARG 42 -6.152 -0.501 -7.624 357 HB3 ARG 42 2HB ARG 42 -7.012 -1.537 -6.497 358 HG2 ARG 42 1HG ARG 42 -8.432 0.431 -5.909 359 HG3 ARG 42 2HG ARG 42 -7.629 1.308 -7.213 360 HD2 ARG 42 1HD ARG 42 -8.451 -0.191 -8.852 361 HD3 ARG 42 2HD ARG 42 -9.010 -1.326 -7.627 362 HE ARG 42 HE ARG 42 -10.395 0.984 -7.125 363 HH11 ARG 42 1HH1 ARG 42 -10.015 -1.200 -9.850 364 HH12 ARG 42 2HH1 ARG 42 -11.598 -0.864 -10.499 365 HH21 ARG 42 1HH2 ARG 42 -12.484 1.413 -7.982 366 HH22 ARG 42 2HH2 ARG 42 -12.979 0.634 -9.458 367 H GLN 43 H GLN 43 -6.855 -1.640 -3.916 368 HA GLN 43 HA GLN 43 -8.710 0.018 -2.663 369 HB2 GLN 43 1HB GLN 43 -8.687 -2.471 -2.536 370 HB3 GLN 43 2HB GLN 43 -7.326 -2.369 -1.425 371 HG2 GLN 43 1HG GLN 43 -9.410 -2.723 -0.231 372 HG3 GLN 43 2HG GLN 43 -8.710 -1.155 0.172 373 HE21 GLN 43 1HE2 GLN 43 -10.716 -0.342 0.840 374 HE22 GLN 43 2HE2 GLN 43 -11.945 0.089 -0.310 375 H PHE 44 H PHE 44 -5.396 -0.792 -1.708 376 HA PHE 44 HA PHE 44 -5.401 0.524 0.774 377 HB2 PHE 44 1HB PHE 44 -3.686 -1.127 0.042 378 HB3 PHE 44 2HB PHE 44 -3.043 0.072 -1.075 379 HD1 PHE 44 HD1 PHE 44 -3.788 -0.438 2.526 380 HD2 PHE 44 HD2 PHE 44 -1.361 1.499 -0.380 381 HE1 PHE 44 HE1 PHE 44 -2.352 0.441 4.318 382 HE2 PHE 44 HE2 PHE 44 0.082 2.377 1.406 383 HZ PHE 44 HZ PHE 44 -0.415 1.846 3.758 384 H PHE 45 H PHE 45 -4.995 1.725 -2.487 385 HA PHE 45 HA PHE 45 -4.005 4.297 -1.621 386 HB2 PHE 45 1HB PHE 45 -4.912 3.245 -4.303 387 HB3 PHE 45 2HB PHE 45 -4.445 4.924 -4.055 388 HD1 PHE 45 HD1 PHE 45 -2.137 4.664 -2.279 389 HD2 PHE 45 HD2 PHE 45 -3.278 2.341 -5.655 390 HE1 PHE 45 HE1 PHE 45 0.220 4.093 -2.676 391 HE2 PHE 45 HE2 PHE 45 -0.922 1.763 -6.057 392 HZ PHE 45 HZ PHE 45 0.830 2.636 -4.564 393 H GLU 46 H GLU 46 -7.053 3.056 -2.975 394 HA GLU 46 HA GLU 46 -8.314 5.610 -2.961 395 HB2 GLU 46 1HB GLU 46 -10.306 4.466 -3.653 396 HB3 GLU 46 2HB GLU 46 -8.931 3.785 -4.489 397 HG2 GLU 46 1HG GLU 46 -8.953 1.839 -3.100 398 HG3 GLU 46 2HG GLU 46 -10.222 2.536 -2.093 399 H GLU 47 H GLU 47 -8.380 2.860 -0.784 400 HA GLU 47 HA GLU 47 -10.330 4.038 0.969 401 HB2 GLU 47 1HB GLU 47 -9.830 1.551 0.754 402 HB3 GLU 47 2HB GLU 47 -8.356 1.854 1.661 403 HG2 GLU 47 1HG GLU 47 -9.695 2.672 3.541 404 HG3 GLU 47 2HG GLU 47 -11.166 2.323 2.634 405 H PHE 48 H PHE 48 -6.976 4.427 0.504 406 HA PHE 48 HA PHE 48 -6.529 5.677 3.051 407 HB2 PHE 48 1HB PHE 48 -4.920 4.720 1.015 408 HB3 PHE 48 2HB PHE 48 -4.796 6.459 0.839 409 HD1 PHE 48 HD1 PHE 48 -4.052 7.825 2.827 410 HD2 PHE 48 HD2 PHE 48 -3.787 3.579 2.690 411 HE1 PHE 48 HE1 PHE 48 -2.404 7.875 4.653 412 HE2 PHE 48 HE2 PHE 48 -2.140 3.623 4.515 413 HZ PHE 48 HZ PHE 48 -1.448 5.772 5.500 414 H GLU 49 H GLU 49 -6.342 6.938 -0.264 415 HA GLU 49 HA GLU 49 -6.608 9.020 -1.067 416 HB2 GLU 49 1HB GLU 49 -8.685 7.527 -1.272 417 HB3 GLU 49 2HB GLU 49 -9.394 8.609 -0.075 418 HG2 GLU 49 1HG GLU 49 -8.951 10.515 -1.529 419 HG3 GLU 49 2HG GLU 49 -8.273 9.411 -2.736 420 H GLN 50 H GLN 50 -5.474 9.414 1.274 421 HA GLN 50 HA GLN 50 -5.172 10.813 3.040 422 HB2 GLN 50 1HB GLN 50 -5.406 13.175 2.419 423 HB3 GLN 50 2HB GLN 50 -4.695 12.210 1.135 424 HG2 GLN 50 1HG GLN 50 -7.007 12.097 0.107 425 HG3 GLN 50 2HG GLN 50 -7.470 13.345 1.273 426 HE21 GLN 50 1HE2 GLN 50 -4.315 13.149 -0.177 427 HE22 GLN 50 2HE2 GLN 50 -4.448 14.573 -1.150 428 H ARG 51 H ARG 51 -7.791 9.405 3.048 429 HA ARG 51 HA ARG 51 -9.700 11.245 4.150 430 HB2 ARG 51 1HB ARG 51 -9.598 8.225 4.238 431 HB3 ARG 51 2HB ARG 51 -10.990 9.211 4.667 432 HG2 ARG 51 1HG ARG 51 -11.261 9.943 2.427 433 HG3 ARG 51 2HG ARG 51 -9.709 9.250 1.953 434 HD2 ARG 51 1HD ARG 51 -10.576 7.008 2.424 435 HD3 ARG 51 2HD ARG 51 -12.133 7.712 2.866 436 HE ARG 51 HE ARG 51 -11.415 8.543 0.265 437 HH11 ARG 51 1HH1 ARG 51 -12.469 5.699 2.000 438 HH12 ARG 51 2HH1 ARG 51 -13.272 4.995 0.625 439 HH21 ARG 51 1HH2 ARG 51 -12.446 7.646 -1.545 440 HH22 ARG 51 2HH2 ARG 51 -13.248 6.112 -1.407 441 H LYS 52 H LYS 52 -9.169 12.244 5.982 442 HA LYS 52 HA LYS 52 -8.634 10.601 8.329 443 HB2 LYS 52 1HB LYS 52 -6.899 12.326 9.057 444 HB3 LYS 52 2HB LYS 52 -6.411 11.187 7.810 445 HG2 LYS 52 1HG LYS 52 -6.399 12.791 6.156 446 HG3 LYS 52 2HG LYS 52 -7.511 13.848 7.030 447 HD2 LYS 52 1HD LYS 52 -4.639 13.292 7.781 448 HD3 LYS 52 2HD LYS 52 -5.238 14.760 7.004 449 HE2 LYS 52 1HE LYS 52 -5.917 13.747 9.765 450 HE3 LYS 52 2HE LYS 52 -4.990 15.191 9.357 451 HZ1 LYS 52 3HZ LYS 52 -7.246 15.762 9.969 452 HZ2 LYS 52 1HZ LYS 52 -7.870 14.743 8.763 453 HZ3 LYS 52 2HZ LYS 52 -6.983 16.126 8.333 Start of MODEL 27 1 H1 MET 1 1H MET 1 -11.595 -10.548 6.555 2 H2 MET 1 2H MET 1 -12.583 -9.291 6.002 3 H3 MET 1 3H MET 1 -10.919 -9.029 6.214 4 HA MET 1 HA MET 1 -12.109 -10.929 4.267 5 HB2 MET 1 1HB MET 1 -12.626 -8.630 3.633 6 HB3 MET 1 2HB MET 1 -10.944 -8.163 3.861 7 HG2 MET 1 1HG MET 1 -11.290 -8.395 1.538 8 HG3 MET 1 2HG MET 1 -10.337 -9.785 2.060 9 HE1 MET 1 3HE MET 1 -14.174 -9.100 2.494 10 HE2 MET 1 1HE MET 1 -14.844 -9.935 1.091 11 HE3 MET 1 2HE MET 1 -13.841 -8.499 0.868 12 H LYS 2 H LYS 2 -9.245 -8.932 4.933 13 HA LYS 2 HA LYS 2 -7.022 -9.235 4.546 14 HB2 LYS 2 1HB LYS 2 -7.706 -12.152 4.946 15 HB3 LYS 2 2HB LYS 2 -6.072 -11.511 4.846 16 HG2 LYS 2 1HG LYS 2 -6.536 -10.127 6.844 17 HG3 LYS 2 2HG LYS 2 -8.120 -10.904 6.968 18 HD2 LYS 2 1HD LYS 2 -5.448 -12.302 7.067 19 HD3 LYS 2 2HD LYS 2 -6.501 -11.984 8.447 20 HE2 LYS 2 1HE LYS 2 -8.191 -13.435 7.583 21 HE3 LYS 2 2HE LYS 2 -7.341 -13.600 6.047 22 HZ1 LYS 2 3HZ LYS 2 -6.992 -15.545 7.383 23 HZ2 LYS 2 1HZ LYS 2 -6.426 -14.617 8.684 24 HZ3 LYS 2 2HZ LYS 2 -5.526 -14.701 7.253 25 H GLN 3 H GLN 3 -7.766 -8.500 2.370 26 HA GLN 3 HA GLN 3 -7.403 -10.525 0.292 27 HB2 GLN 3 1HB GLN 3 -9.142 -8.728 0.029 28 HB3 GLN 3 2HB GLN 3 -7.842 -7.549 -0.060 29 HG2 GLN 3 1HG GLN 3 -8.610 -8.098 -2.277 30 HG3 GLN 3 2HG GLN 3 -6.962 -8.685 -2.053 31 HE21 GLN 3 1HE2 GLN 3 -7.086 -10.251 -3.624 32 HE22 GLN 3 2HE2 GLN 3 -8.059 -11.670 -3.451 33 H TRP 4 H TRP 4 -5.888 -7.642 1.617 34 HA TRP 4 HA TRP 4 -3.379 -8.257 0.328 35 HB2 TRP 4 1HB TRP 4 -2.595 -6.527 2.177 36 HB3 TRP 4 2HB TRP 4 -3.408 -5.991 0.728 37 HD1 TRP 4 HD1 TRP 4 -4.942 -4.053 1.300 38 HE1 TRP 4 HE1 TRP 4 -6.571 -3.469 3.205 39 HE3 TRP 4 HE3 TRP 4 -4.204 -8.118 4.241 40 HZ2 TRP 4 HZ2 TRP 4 -7.439 -4.601 5.636 41 HZ3 TRP 4 HZ3 TRP 4 -5.471 -8.313 6.354 42 HH2 TRP 4 HH2 TRP 4 -7.056 -6.584 7.033 43 H SER 5 H SER 5 -1.440 -8.488 1.930 44 HA SER 5 HA SER 5 -2.114 -10.408 3.981 45 HB2 SER 5 1HB SER 5 -0.036 -10.687 2.657 46 HB3 SER 5 2HB SER 5 0.564 -9.161 3.304 47 HG SER 5 HG SER 5 0.227 -11.638 4.575 48 H GLU 6 H GLU 6 -2.842 -9.735 5.857 49 HA GLU 6 HA GLU 6 -3.323 -7.315 6.835 50 HB2 GLU 6 1HB GLU 6 -3.949 -9.366 7.984 51 HB3 GLU 6 2HB GLU 6 -2.281 -9.626 8.477 52 HG2 GLU 6 1HG GLU 6 -2.382 -7.521 9.762 53 HG3 GLU 6 2HG GLU 6 -4.089 -7.381 9.341 54 H ASN 7 H ASN 7 -0.213 -8.934 7.392 55 HA ASN 7 HA ASN 7 0.976 -6.981 8.989 56 HB2 ASN 7 1HB ASN 7 2.130 -9.008 7.106 57 HB3 ASN 7 2HB ASN 7 3.141 -8.000 8.134 58 HD21 ASN 7 1HD2 ASN 7 3.155 -8.335 10.338 59 HD22 ASN 7 2HD2 ASN 7 2.524 -9.784 11.052 60 H VAL 8 H VAL 8 0.795 -7.285 5.510 61 HA VAL 8 HA VAL 8 2.811 -5.435 4.851 62 HB VAL 8 HB VAL 8 0.374 -6.212 3.237 63 HG11 VAL 8 1HG1 VAL 8 2.973 -4.929 2.402 64 HG12 VAL 8 2HG1 VAL 8 1.384 -4.166 2.430 65 HG13 VAL 8 3HG1 VAL 8 1.705 -5.488 1.314 66 HG21 VAL 8 3HG2 VAL 8 3.164 -7.357 3.316 67 HG22 VAL 8 1HG2 VAL 8 1.939 -7.774 2.119 68 HG23 VAL 8 2HG2 VAL 8 1.676 -8.159 3.820 69 H GLU 9 H GLU 9 -0.659 -5.088 5.382 70 HA GLU 9 HA GLU 9 -0.997 -2.489 4.455 71 HB2 GLU 9 1HB GLU 9 -2.838 -3.996 5.095 72 HB3 GLU 9 2HB GLU 9 -2.390 -3.814 6.786 73 HG2 GLU 9 1HG GLU 9 -2.903 -1.433 6.682 74 HG3 GLU 9 2HG GLU 9 -3.309 -1.584 4.974 75 H GLU 10 H GLU 10 -0.001 -3.634 7.644 76 HA GLU 10 HA GLU 10 0.237 -1.198 8.974 77 HB2 GLU 10 1HB GLU 10 0.523 -3.124 10.298 78 HB3 GLU 10 2HB GLU 10 1.714 -3.813 9.199 79 HG2 GLU 10 1HG GLU 10 3.254 -1.952 9.847 80 HG3 GLU 10 2HG GLU 10 2.088 -1.504 11.093 81 H LYS 11 H LYS 11 2.729 -2.998 7.198 82 HA LYS 11 HA LYS 11 4.666 -0.959 7.739 83 HB2 LYS 11 1HB LYS 11 4.863 -3.582 7.472 84 HB3 LYS 11 2HB LYS 11 5.205 -3.147 5.804 85 HG2 LYS 11 1HG LYS 11 7.178 -2.102 6.330 86 HG3 LYS 11 2HG LYS 11 6.675 -1.752 7.985 87 HD2 LYS 11 1HD LYS 11 7.445 -4.456 6.881 88 HD3 LYS 11 2HD LYS 11 8.412 -3.455 7.962 89 HE2 LYS 11 1HE LYS 11 5.781 -4.800 8.577 90 HE3 LYS 11 2HE LYS 11 7.357 -5.166 9.264 91 HZ1 LYS 11 3HZ LYS 11 7.339 -3.272 10.557 92 HZ2 LYS 11 1HZ LYS 11 5.712 -3.750 10.610 93 HZ3 LYS 11 2HZ LYS 11 6.185 -2.473 9.598 94 H LEU 12 H LEU 12 2.487 -1.639 5.169 95 HA LEU 12 HA LEU 12 3.784 -0.161 3.128 96 HB2 LEU 12 1HB LEU 12 1.852 -1.653 2.718 97 HB3 LEU 12 2HB LEU 12 0.824 -0.548 3.611 98 HG LEU 12 HG LEU 12 1.234 1.198 1.926 99 HD11 LEU 12 1HD1 LEU 12 2.714 -0.951 0.412 100 HD12 LEU 12 2HD1 LEU 12 3.465 0.423 1.222 101 HD13 LEU 12 3HD1 LEU 12 2.380 0.689 -0.140 102 HD21 LEU 12 3HD2 LEU 12 -0.066 0.184 0.118 103 HD22 LEU 12 1HD2 LEU 12 -0.707 -0.265 1.698 104 HD23 LEU 12 2HD2 LEU 12 0.261 -1.418 0.778 105 H LYS 13 H LYS 13 1.395 0.694 5.602 106 HA LYS 13 HA LYS 13 1.191 3.427 5.103 107 HB2 LYS 13 1HB LYS 13 -0.272 2.284 6.680 108 HB3 LYS 13 2HB LYS 13 1.096 1.918 7.718 109 HG2 LYS 13 1HG LYS 13 1.407 4.312 8.140 110 HG3 LYS 13 2HG LYS 13 0.005 4.662 7.131 111 HD2 LYS 13 1HD LYS 13 -0.578 4.696 9.504 112 HD3 LYS 13 2HD LYS 13 -1.423 3.398 8.659 113 HE2 LYS 13 1HE LYS 13 0.070 1.751 9.559 114 HE3 LYS 13 2HE LYS 13 1.132 2.998 10.217 115 HZ1 LYS 13 3HZ LYS 13 -1.695 2.676 11.056 116 HZ2 LYS 13 1HZ LYS 13 -0.485 3.601 11.804 117 HZ3 LYS 13 2HZ LYS 13 -0.410 1.906 11.848 118 H GLU 14 H GLU 14 3.480 1.625 7.099 119 HA GLU 14 HA GLU 14 4.917 3.812 8.101 120 HB2 GLU 14 1HB GLU 14 5.951 1.030 7.539 121 HB3 GLU 14 2HB GLU 14 6.669 2.209 8.630 122 HG2 GLU 14 1HG GLU 14 4.633 2.128 10.011 123 HG3 GLU 14 2HG GLU 14 3.988 0.882 8.943 124 H PHE 15 H PHE 15 5.369 1.878 5.177 125 HA PHE 15 HA PHE 15 7.830 3.101 4.445 126 HB2 PHE 15 1HB PHE 15 6.578 0.845 3.704 127 HB3 PHE 15 2HB PHE 15 6.101 1.878 2.366 128 HD1 PHE 15 HD1 PHE 15 9.311 1.861 4.231 129 HD2 PHE 15 HD2 PHE 15 7.346 0.991 0.542 130 HE1 PHE 15 HE1 PHE 15 11.482 1.419 3.178 131 HE2 PHE 15 HE2 PHE 15 9.523 0.557 -0.503 132 HZ PHE 15 HZ PHE 15 11.588 0.768 0.810 133 H VAL 16 H VAL 16 4.503 3.943 3.976 134 HA VAL 16 HA VAL 16 5.090 5.812 1.849 135 HB VAL 16 HB VAL 16 2.513 5.354 3.368 136 HG11 VAL 16 1HG1 VAL 16 1.459 6.670 1.571 137 HG12 VAL 16 2HG1 VAL 16 3.058 7.052 0.933 138 HG13 VAL 16 3HG1 VAL 16 2.584 7.631 2.530 139 HG21 VAL 16 3HG2 VAL 16 1.776 4.284 1.282 140 HG22 VAL 16 1HG2 VAL 16 3.158 3.456 1.997 141 HG23 VAL 16 2HG2 VAL 16 3.389 4.513 0.604 142 H LYS 17 H LYS 17 3.614 6.280 5.114 143 HA LYS 17 HA LYS 17 4.298 9.098 4.807 144 HB2 LYS 17 1HB LYS 17 2.803 9.418 6.810 145 HB3 LYS 17 2HB LYS 17 2.039 8.879 5.330 146 HG2 LYS 17 1HG LYS 17 1.004 7.600 6.942 147 HG3 LYS 17 2HG LYS 17 2.265 6.520 6.352 148 HD2 LYS 17 1HD LYS 17 2.107 6.479 8.791 149 HD3 LYS 17 2HD LYS 17 3.668 7.092 8.249 150 HE2 LYS 17 1HE LYS 17 2.836 8.411 10.109 151 HE3 LYS 17 2HE LYS 17 2.897 9.385 8.644 152 HZ1 LYS 17 3HZ LYS 17 0.859 9.672 10.004 153 HZ2 LYS 17 1HZ LYS 17 0.424 8.076 9.643 154 HZ3 LYS 17 2HZ LYS 17 0.550 9.225 8.400 155 H ARG 18 H ARG 18 5.239 6.400 6.756 156 HA ARG 18 HA ARG 18 6.615 8.093 8.670 157 HB2 ARG 18 1HB ARG 18 6.634 5.095 8.310 158 HB3 ARG 18 2HB ARG 18 7.532 5.940 9.562 159 HG2 ARG 18 1HG ARG 18 5.396 6.842 10.425 160 HG3 ARG 18 2HG ARG 18 4.541 5.862 9.234 161 HD2 ARG 18 1HD ARG 18 4.540 4.685 11.329 162 HD3 ARG 18 2HD ARG 18 5.622 3.844 10.218 163 HE ARG 18 HE ARG 18 7.184 5.638 11.655 164 HH11 ARG 18 1HH1 ARG 18 5.261 2.777 12.284 165 HH12 ARG 18 2HH1 ARG 18 6.155 2.324 13.697 166 HH21 ARG 18 1HH2 ARG 18 8.339 5.070 13.536 167 HH22 ARG 18 2HH2 ARG 18 7.889 3.650 14.433 168 H HIS 19 H HIS 19 7.201 7.240 5.570 169 HA HIS 19 HA HIS 19 10.107 7.538 5.924 170 HB2 HIS 19 1HB HIS 19 8.538 5.987 3.871 171 HB3 HIS 19 2HB HIS 19 10.181 6.524 3.545 172 HD1 HIS 19 HD1 HIS 19 8.380 4.465 6.226 173 HD2 HIS 19 HD2 HIS 19 12.033 4.748 4.267 174 HE1 HIS 19 HE1 HIS 19 9.801 2.562 7.094 175 H GLN 20 H GLN 20 10.779 8.188 3.335 176 HA GLN 20 HA GLN 20 9.791 10.921 3.211 177 HB2 GLN 20 1HB GLN 20 11.630 11.292 1.633 178 HB3 GLN 20 2HB GLN 20 12.204 10.546 3.120 179 HG2 GLN 20 1HG GLN 20 12.285 8.384 2.034 180 HG3 GLN 20 2HG GLN 20 11.628 9.090 0.561 181 HE21 GLN 20 1HE2 GLN 20 13.969 10.745 2.547 182 HE22 GLN 20 2HE2 GLN 20 15.295 10.612 1.440 183 H ARG 21 H ARG 21 8.139 8.643 2.411 184 HA ARG 21 HA ARG 21 6.581 8.102 0.871 185 HB2 ARG 21 1HB ARG 21 6.202 10.505 0.545 186 HB3 ARG 21 2HB ARG 21 7.537 10.576 -0.594 187 HG2 ARG 21 1HG ARG 21 6.318 9.034 -2.080 188 HG3 ARG 21 2HG ARG 21 4.960 9.063 -0.959 189 HD2 ARG 21 1HD ARG 21 4.663 11.433 -1.323 190 HD3 ARG 21 2HD ARG 21 6.111 11.491 -2.324 191 HE ARG 21 HE ARG 21 3.673 10.008 -3.082 192 HH11 ARG 21 1HH1 ARG 21 6.399 12.054 -3.869 193 HH12 ARG 21 2HH1 ARG 21 6.024 12.127 -5.564 194 HH21 ARG 21 1HH2 ARG 21 3.151 10.116 -5.322 195 HH22 ARG 21 2HH2 ARG 21 4.177 11.028 -6.388 196 H ILE 22 H ILE 22 6.377 6.959 -1.060 197 HA ILE 22 HA ILE 22 8.823 6.570 -2.616 198 HB ILE 22 HB ILE 22 8.783 4.735 -1.025 199 HG12 ILE 22 1HG1 ILE 22 7.949 3.822 -3.786 200 HG13 ILE 22 2HG1 ILE 22 9.578 4.274 -3.294 201 HG21 ILE 22 1HG2 ILE 22 6.501 4.615 -0.385 202 HG22 ILE 22 2HG2 ILE 22 6.926 3.060 -1.099 203 HG23 ILE 22 3HG2 ILE 22 5.992 4.232 -2.030 204 HD11 ILE 22 3HD1 ILE 22 7.986 1.954 -2.242 205 HD12 ILE 22 1HD1 ILE 22 9.603 2.412 -1.714 206 HD13 ILE 22 2HD1 ILE 22 9.337 1.869 -3.371 207 H THR 23 H THR 23 8.473 6.080 -4.783 208 HA THR 23 HA THR 23 6.035 7.077 -5.849 209 HB THR 23 HB THR 23 7.205 6.019 -8.017 210 HG1 THR 23 HG1 THR 23 9.107 5.243 -7.523 211 HG21 THR 23 3HG2 THR 23 6.747 8.385 -7.667 212 HG22 THR 23 1HG2 THR 23 8.388 8.160 -8.276 213 HG23 THR 23 2HG2 THR 23 8.122 8.505 -6.565 214 H GLN 24 H GLN 24 4.535 6.010 -7.176 215 HA GLN 24 HA GLN 24 3.507 3.664 -6.073 216 HB2 GLN 24 1HB GLN 24 2.151 5.337 -7.237 217 HB3 GLN 24 2HB GLN 24 2.937 4.936 -8.754 218 HG2 GLN 24 1HG GLN 24 1.596 2.716 -7.336 219 HG3 GLN 24 2HG GLN 24 0.560 3.967 -8.020 220 HE21 GLN 24 1HE2 GLN 24 0.551 4.293 -10.253 221 HE22 GLN 24 2HE2 GLN 24 1.101 3.070 -11.350 222 H GLU 25 H GLU 25 5.573 4.150 -8.882 223 HA GLU 25 HA GLU 25 5.328 1.646 -10.079 224 HB2 GLU 25 1HB GLU 25 6.493 3.636 -11.035 225 HB3 GLU 25 2HB GLU 25 7.825 3.333 -9.926 226 HG2 GLU 25 1HG GLU 25 8.232 2.481 -12.204 227 HG3 GLU 25 2HG GLU 25 8.292 1.230 -10.962 228 H GLU 26 H GLU 26 7.990 2.682 -7.921 229 HA GLU 26 HA GLU 26 8.939 0.052 -7.512 230 HB2 GLU 26 1HB GLU 26 9.369 2.526 -5.826 231 HB3 GLU 26 2HB GLU 26 10.277 1.027 -5.677 232 HG2 GLU 26 1HG GLU 26 11.726 2.140 -6.995 233 HG3 GLU 26 2HG GLU 26 10.689 1.498 -8.267 234 H LEU 27 H LEU 27 6.486 1.953 -5.935 235 HA LEU 27 HA LEU 27 6.291 0.421 -3.565 236 HB2 LEU 27 1HB LEU 27 5.378 2.701 -3.827 237 HB3 LEU 27 2HB LEU 27 4.191 2.088 -4.958 238 HG LEU 27 HG LEU 27 4.261 0.943 -2.195 239 HD11 LEU 27 1HD1 LEU 27 4.335 3.330 -1.796 240 HD12 LEU 27 2HD1 LEU 27 2.717 2.716 -1.456 241 HD13 LEU 27 3HD1 LEU 27 3.032 3.589 -2.955 242 HD21 LEU 27 3HD2 LEU 27 1.879 0.692 -2.584 243 HD22 LEU 27 1HD2 LEU 27 2.773 -0.000 -3.935 244 HD23 LEU 27 2HD2 LEU 27 2.006 1.578 -4.100 245 H HIS 28 H HIS 28 4.762 0.168 -6.752 246 HA HIS 28 HA HIS 28 2.927 -1.858 -6.029 247 HB2 HIS 28 1HB HIS 28 2.867 -0.463 -8.148 248 HB3 HIS 28 2HB HIS 28 4.135 -1.513 -8.775 249 HD1 HIS 28 HD1 HIS 28 3.424 -4.182 -8.849 250 HD2 HIS 28 HD2 HIS 28 0.366 -1.376 -8.522 251 HE1 HIS 28 HE1 HIS 28 1.274 -5.409 -9.342 252 H GLN 29 H GLN 29 6.233 -1.950 -7.275 253 HA GLN 29 HA GLN 29 6.444 -4.753 -7.474 254 HB2 GLN 29 1HB GLN 29 8.080 -3.126 -8.439 255 HB3 GLN 29 2HB GLN 29 8.652 -2.790 -6.811 256 HG2 GLN 29 1HG GLN 29 10.116 -4.345 -7.978 257 HG3 GLN 29 2HG GLN 29 9.371 -5.091 -6.562 258 HE21 GLN 29 1HE2 GLN 29 7.861 -6.714 -6.837 259 HE22 GLN 29 2HE2 GLN 29 7.632 -7.526 -8.347 260 H TYR 30 H TYR 30 6.984 -2.485 -4.856 261 HA TYR 30 HA TYR 30 7.828 -4.326 -2.890 262 HB2 TYR 30 1HB TYR 30 8.165 -1.924 -2.661 263 HB3 TYR 30 2HB TYR 30 6.432 -1.647 -2.671 264 HD1 TYR 30 HD1 TYR 30 8.968 -3.601 -0.714 265 HD2 TYR 30 HD2 TYR 30 5.423 -1.246 -0.648 266 HE1 TYR 30 HE1 TYR 30 8.948 -3.704 1.742 267 HE2 TYR 30 HE2 TYR 30 5.398 -1.345 1.808 268 HH TYR 30 HH TYR 30 6.257 -2.697 3.607 269 H ALA 31 H ALA 31 4.694 -3.412 -4.137 270 HA ALA 31 HA ALA 31 3.127 -4.579 -2.067 271 HB1 ALA 31 3HB ALA 31 2.204 -2.874 -3.558 272 HB2 ALA 31 1HB ALA 31 1.257 -4.359 -3.656 273 HB3 ALA 31 2HB ALA 31 2.401 -3.956 -4.937 274 H GLN 32 H GLN 32 3.978 -5.629 -5.350 275 HA GLN 32 HA GLN 32 2.792 -8.162 -5.224 276 HB2 GLN 32 1HB GLN 32 3.456 -7.166 -7.333 277 HB3 GLN 32 2HB GLN 32 5.145 -7.179 -6.848 278 HG2 GLN 32 1HG GLN 32 5.134 -9.616 -6.846 279 HG3 GLN 32 2HG GLN 32 3.435 -9.613 -7.311 280 HE21 GLN 32 1HE2 GLN 32 2.869 -9.070 -9.399 281 HE22 GLN 32 2HE2 GLN 32 4.020 -8.994 -10.687 282 H ARG 33 H ARG 33 5.986 -7.054 -4.250 283 HA ARG 33 HA ARG 33 7.158 -9.582 -3.840 284 HB2 ARG 33 1HB ARG 33 8.434 -7.466 -3.973 285 HB3 ARG 33 2HB ARG 33 7.783 -7.002 -2.406 286 HG2 ARG 33 1HG ARG 33 9.963 -7.857 -2.032 287 HG3 ARG 33 2HG ARG 33 8.813 -9.069 -1.464 288 HD2 ARG 33 1HD ARG 33 10.129 -9.146 -4.170 289 HD3 ARG 33 2HD ARG 33 10.745 -9.994 -2.753 290 HE ARG 33 HE ARG 33 8.407 -11.069 -2.773 291 HH11 ARG 33 1HH1 ARG 33 10.288 -10.197 -5.596 292 HH12 ARG 33 2HH1 ARG 33 9.493 -11.347 -6.632 293 HH21 ARG 33 1HH2 ARG 33 7.375 -12.587 -4.102 294 HH22 ARG 33 2HH2 ARG 33 7.818 -12.709 -5.785 295 H LEU 34 H LEU 34 5.189 -7.544 -1.750 296 HA LEU 34 HA LEU 34 5.607 -9.341 0.488 297 HB2 LEU 34 1HB LEU 34 3.988 -6.817 0.220 298 HB3 LEU 34 2HB LEU 34 4.099 -7.758 1.694 299 HG LEU 34 HG LEU 34 6.357 -6.309 0.309 300 HD11 LEU 34 1HD1 LEU 34 5.040 -5.882 2.984 301 HD12 LEU 34 2HD1 LEU 34 4.819 -4.877 1.552 302 HD13 LEU 34 3HD1 LEU 34 6.398 -4.966 2.332 303 HD21 LEU 34 3HD2 LEU 34 6.410 -7.999 2.808 304 HD22 LEU 34 1HD2 LEU 34 7.749 -7.045 2.175 305 HD23 LEU 34 2HD2 LEU 34 7.139 -8.422 1.261 306 H GLY 35 H GLY 35 3.217 -8.742 -1.967 307 HA2 GLY 35 1HA GLY 35 1.876 -10.781 -2.425 308 HA3 GLY 35 2HA GLY 35 1.573 -10.849 -0.703 309 H LEU 36 H LEU 36 1.465 -7.996 -2.821 310 HA LEU 36 HA LEU 36 -1.361 -7.733 -2.050 311 HB2 LEU 36 1HB LEU 36 0.414 -5.541 -3.102 312 HB3 LEU 36 2HB LEU 36 -1.180 -5.380 -2.393 313 HG LEU 36 HG LEU 36 1.347 -6.161 -0.938 314 HD11 LEU 36 1HD1 LEU 36 1.203 -3.794 -1.501 315 HD12 LEU 36 2HD1 LEU 36 1.005 -4.047 0.236 316 HD13 LEU 36 3HD1 LEU 36 -0.403 -3.709 -0.772 317 HD21 LEU 36 3HD2 LEU 36 -1.429 -5.786 0.161 318 HD22 LEU 36 1HD2 LEU 36 0.019 -6.208 1.069 319 HD23 LEU 36 2HD2 LEU 36 -0.657 -7.348 -0.097 320 H ASN 37 H ASN 37 -2.884 -7.778 -3.515 321 HA ASN 37 HA ASN 37 -2.201 -7.463 -6.347 322 HB2 ASN 37 1HB ASN 37 -4.629 -8.190 -6.689 323 HB3 ASN 37 2HB ASN 37 -3.530 -9.409 -6.067 324 HD21 ASN 37 1HD2 ASN 37 -4.702 -6.881 -3.973 325 HD22 ASN 37 2HD2 ASN 37 -5.765 -7.886 -3.048 326 H GLU 38 H GLU 38 -3.668 -6.049 -7.643 327 HA GLU 38 HA GLU 38 -3.627 -3.446 -6.790 328 HB2 GLU 38 1HB GLU 38 -5.448 -4.778 -8.781 329 HB3 GLU 38 2HB GLU 38 -5.473 -3.044 -8.507 330 HG2 GLU 38 1HG GLU 38 -3.099 -2.935 -9.142 331 HG3 GLU 38 2HG GLU 38 -3.135 -4.669 -9.480 332 H GLU 39 H GLU 39 -6.255 -5.753 -6.384 333 HA GLU 39 HA GLU 39 -8.360 -4.258 -5.512 334 HB2 GLU 39 1HB GLU 39 -8.348 -6.704 -5.725 335 HB3 GLU 39 2HB GLU 39 -7.317 -6.824 -4.305 336 HG2 GLU 39 1HG GLU 39 -9.442 -7.329 -3.515 337 HG3 GLU 39 2HG GLU 39 -9.213 -5.640 -3.064 338 H ALA 40 H ALA 40 -5.620 -5.381 -3.607 339 HA ALA 40 HA ALA 40 -6.562 -4.159 -1.176 340 HB1 ALA 40 3HB ALA 40 -3.935 -5.491 -1.809 341 HB2 ALA 40 1HB ALA 40 -5.361 -6.285 -1.140 342 HB3 ALA 40 2HB ALA 40 -4.515 -5.053 -0.202 343 H ILE 41 H ILE 41 -4.271 -3.448 -3.696 344 HA ILE 41 HA ILE 41 -2.821 -1.421 -2.345 345 HB ILE 41 HB ILE 41 -3.248 -1.676 -5.330 346 HG12 ILE 41 1HG1 ILE 41 -1.092 -2.923 -3.604 347 HG13 ILE 41 2HG1 ILE 41 -2.444 -3.797 -4.324 348 HG21 ILE 41 1HG2 ILE 41 -2.276 0.449 -4.672 349 HG22 ILE 41 2HG2 ILE 41 -1.063 -0.549 -5.477 350 HG23 ILE 41 3HG2 ILE 41 -1.047 -0.383 -3.721 351 HD11 ILE 41 3HD1 ILE 41 -1.614 -3.284 -6.542 352 HD12 ILE 41 1HD1 ILE 41 -0.374 -4.090 -5.583 353 HD13 ILE 41 2HD1 ILE 41 -0.290 -2.348 -5.849 354 H ARG 42 H ARG 42 -5.644 -1.419 -4.453 355 HA ARG 42 HA ARG 42 -5.891 1.420 -4.545 356 HB2 ARG 42 1HB ARG 42 -7.808 -0.798 -5.249 357 HB3 ARG 42 2HB ARG 42 -8.146 0.910 -5.517 358 HG2 ARG 42 1HG ARG 42 -6.243 1.104 -6.968 359 HG3 ARG 42 2HG ARG 42 -5.808 -0.583 -6.685 360 HD2 ARG 42 1HD ARG 42 -8.009 -1.231 -7.672 361 HD3 ARG 42 2HD ARG 42 -8.271 0.469 -8.072 362 HE ARG 42 HE ARG 42 -6.405 -1.359 -9.345 363 HH11 ARG 42 1HH1 ARG 42 -7.497 1.950 -8.954 364 HH12 ARG 42 2HH1 ARG 42 -6.752 2.498 -10.429 365 HH21 ARG 42 1HH2 ARG 42 -5.370 -0.632 -11.245 366 HH22 ARG 42 2HH2 ARG 42 -5.538 1.035 -11.726 367 H GLN 43 H GLN 43 -7.019 -1.065 -2.399 368 HA GLN 43 HA GLN 43 -8.933 0.397 -0.967 369 HB2 GLN 43 1HB GLN 43 -7.004 -1.739 -0.038 370 HB3 GLN 43 2HB GLN 43 -8.277 -1.067 0.976 371 HG2 GLN 43 1HG GLN 43 -8.695 -2.499 -1.635 372 HG3 GLN 43 2HG GLN 43 -8.931 -3.190 -0.030 373 HE21 GLN 43 1HE2 GLN 43 -10.039 -0.772 1.078 374 HE22 GLN 43 2HE2 GLN 43 -11.634 -0.595 0.427 375 H PHE 44 H PHE 44 -5.416 0.311 -0.728 376 HA PHE 44 HA PHE 44 -5.429 2.045 1.586 377 HB2 PHE 44 1HB PHE 44 -3.746 0.121 0.969 378 HB3 PHE 44 2HB PHE 44 -2.946 1.396 0.050 379 HD1 PHE 44 HD1 PHE 44 -3.964 0.292 3.391 380 HD2 PHE 44 HD2 PHE 44 -1.735 3.141 1.156 381 HE1 PHE 44 HE1 PHE 44 -2.880 1.050 5.460 382 HE2 PHE 44 HE2 PHE 44 -0.642 3.911 3.222 383 HZ PHE 44 HZ PHE 44 -1.216 2.868 5.380 384 H PHE 45 H PHE 45 -5.071 2.365 -1.858 385 HA PHE 45 HA PHE 45 -4.119 5.115 -1.605 386 HB2 PHE 45 1HB PHE 45 -4.477 3.246 -3.927 387 HB3 PHE 45 2HB PHE 45 -4.295 4.973 -4.195 388 HD1 PHE 45 HD1 PHE 45 -2.608 2.417 -2.035 389 HD2 PHE 45 HD2 PHE 45 -2.214 5.570 -4.866 390 HE1 PHE 45 HE1 PHE 45 -0.162 2.189 -1.948 391 HE2 PHE 45 HE2 PHE 45 0.231 5.343 -4.786 392 HZ PHE 45 HZ PHE 45 1.263 3.651 -3.330 393 H GLU 46 H GLU 46 -6.725 3.567 -3.499 394 HA GLU 46 HA GLU 46 -7.814 6.172 -4.030 395 HB2 GLU 46 1HB GLU 46 -8.694 3.435 -4.943 396 HB3 GLU 46 2HB GLU 46 -9.383 4.954 -5.511 397 HG2 GLU 46 1HG GLU 46 -7.130 5.602 -6.325 398 HG3 GLU 46 2HG GLU 46 -6.552 3.998 -5.876 399 H GLU 47 H GLU 47 -8.527 3.663 -1.752 400 HA GLU 47 HA GLU 47 -11.142 4.887 -1.232 401 HB2 GLU 47 1HB GLU 47 -10.859 2.364 -1.249 402 HB3 GLU 47 2HB GLU 47 -9.930 2.540 0.234 403 HG2 GLU 47 1HG GLU 47 -11.958 3.759 1.172 404 HG3 GLU 47 2HG GLU 47 -12.831 3.145 -0.227 405 H PHE 48 H PHE 48 -8.016 5.395 -0.417 406 HA PHE 48 HA PHE 48 -8.182 5.694 2.427 407 HB2 PHE 48 1HB PHE 48 -6.130 5.316 0.800 408 HB3 PHE 48 2HB PHE 48 -6.133 7.071 0.764 409 HD1 PHE 48 HD1 PHE 48 -6.636 4.575 3.501 410 HD2 PHE 48 HD2 PHE 48 -4.423 7.895 2.023 411 HE1 PHE 48 HE1 PHE 48 -5.325 4.624 5.579 412 HE2 PHE 48 HE2 PHE 48 -3.103 7.940 4.095 413 HZ PHE 48 HZ PHE 48 -3.557 6.308 5.881 414 H GLU 49 H GLU 49 -7.644 8.014 -0.178 415 HA GLU 49 HA GLU 49 -9.299 10.053 0.857 416 HB2 GLU 49 1HB GLU 49 -7.495 11.661 1.514 417 HB3 GLU 49 2HB GLU 49 -7.698 10.304 2.612 418 HG2 GLU 49 1HG GLU 49 -5.748 9.212 1.693 419 HG3 GLU 49 2HG GLU 49 -5.572 10.488 0.486 420 H GLN 50 H GLN 50 -6.724 9.007 -1.255 421 HA GLN 50 HA GLN 50 -7.016 11.207 -3.083 422 HB2 GLN 50 1HB GLN 50 -5.856 8.476 -3.655 423 HB3 GLN 50 2HB GLN 50 -5.563 9.964 -4.543 424 HG2 GLN 50 1HG GLN 50 -3.730 10.203 -3.323 425 HG3 GLN 50 2HG GLN 50 -4.789 10.557 -1.956 426 HE21 GLN 50 1HE2 GLN 50 -5.102 9.039 -0.385 427 HE22 GLN 50 2HE2 GLN 50 -4.193 7.578 -0.288 428 H ARG 51 H ARG 51 -9.410 9.961 -2.266 429 HA ARG 51 HA ARG 51 -10.431 8.070 -4.098 430 HB2 ARG 51 1HB ARG 51 -11.930 10.047 -2.369 431 HB3 ARG 51 2HB ARG 51 -12.594 8.587 -3.086 432 HG2 ARG 51 1HG ARG 51 -11.304 7.201 -1.665 433 HG3 ARG 51 2HG ARG 51 -10.322 8.567 -1.129 434 HD2 ARG 51 1HD ARG 51 -12.224 9.545 -0.024 435 HD3 ARG 51 2HD ARG 51 -13.275 8.264 -0.620 436 HE ARG 51 HE ARG 51 -11.488 6.859 0.760 437 HH11 ARG 51 1HH1 ARG 51 -13.164 9.808 1.584 438 HH12 ARG 51 2HH1 ARG 51 -13.189 9.479 3.287 439 HH21 ARG 51 1HH2 ARG 51 -11.484 6.416 2.992 440 HH22 ARG 51 2HH2 ARG 51 -12.194 7.558 4.097 441 H LYS 52 H LYS 52 -10.267 8.657 -6.218 442 HA LYS 52 HA LYS 52 -12.178 10.576 -7.181 443 HB2 LYS 52 1HB LYS 52 -10.527 11.793 -8.603 444 HB3 LYS 52 2HB LYS 52 -10.341 12.102 -6.884 445 HG2 LYS 52 1HG LYS 52 -8.436 10.606 -6.790 446 HG3 LYS 52 2HG LYS 52 -8.649 10.192 -8.492 447 HD2 LYS 52 1HD LYS 52 -8.048 12.953 -7.433 448 HD3 LYS 52 2HD LYS 52 -6.864 11.856 -8.144 449 HE2 LYS 52 1HE LYS 52 -8.116 11.884 -10.254 450 HE3 LYS 52 2HE LYS 52 -9.292 12.986 -9.537 451 HZ1 LYS 52 3HZ LYS 52 -7.658 14.158 -10.893 452 HZ2 LYS 52 1HZ LYS 52 -6.403 13.564 -9.921 453 HZ3 LYS 52 2HZ LYS 52 -7.551 14.629 -9.272 Start of MODEL 28 1 H1 MET 1 1H MET 1 -12.352 -7.886 2.531 2 H2 MET 1 2H MET 1 -12.430 -8.465 4.119 3 H3 MET 1 3H MET 1 -13.732 -8.716 3.064 4 HA MET 1 HA MET 1 -12.468 -10.738 3.319 5 HB2 MET 1 1HB MET 1 -12.113 -9.398 0.624 6 HB3 MET 1 2HB MET 1 -11.894 -11.116 0.915 7 HG2 MET 1 1HG MET 1 -14.220 -11.353 1.509 8 HG3 MET 1 2HG MET 1 -14.463 -9.615 1.348 9 HE1 MET 1 3HE MET 1 -16.533 -10.102 -0.242 10 HE2 MET 1 1HE MET 1 -16.262 -11.841 -0.126 11 HE3 MET 1 2HE MET 1 -16.442 -11.080 -1.708 12 H LYS 2 H LYS 2 -10.397 -11.823 2.395 13 HA LYS 2 HA LYS 2 -8.114 -10.341 3.386 14 HB2 LYS 2 1HB LYS 2 -8.545 -13.149 2.420 15 HB3 LYS 2 2HB LYS 2 -6.912 -12.503 2.500 16 HG2 LYS 2 1HG LYS 2 -7.345 -13.719 4.511 17 HG3 LYS 2 2HG LYS 2 -7.274 -12.002 4.903 18 HD2 LYS 2 1HD LYS 2 -9.106 -12.977 6.103 19 HD3 LYS 2 2HD LYS 2 -9.765 -11.950 4.830 20 HE2 LYS 2 1HE LYS 2 -11.008 -14.019 4.942 21 HE3 LYS 2 2HE LYS 2 -10.101 -13.947 3.431 22 HZ1 LYS 2 3HZ LYS 2 -9.233 -15.421 5.861 23 HZ2 LYS 2 1HZ LYS 2 -8.450 -15.410 4.358 24 HZ3 LYS 2 2HZ LYS 2 -9.978 -16.131 4.513 25 H GLN 3 H GLN 3 -6.667 -9.275 2.180 26 HA GLN 3 HA GLN 3 -6.692 -9.609 -0.704 27 HB2 GLN 3 1HB GLN 3 -6.991 -7.145 -1.063 28 HB3 GLN 3 2HB GLN 3 -8.419 -7.993 -0.501 29 HG2 GLN 3 1HG GLN 3 -8.083 -7.176 1.732 30 HG3 GLN 3 2HG GLN 3 -6.580 -6.390 1.254 31 HE21 GLN 3 1HE2 GLN 3 -9.019 -5.251 2.396 32 HE22 GLN 3 2HE2 GLN 3 -9.547 -4.048 1.274 33 H TRP 4 H TRP 4 -5.490 -7.368 1.784 34 HA TRP 4 HA TRP 4 -2.788 -7.833 0.788 35 HB2 TRP 4 1HB TRP 4 -2.311 -6.143 2.779 36 HB3 TRP 4 2HB TRP 4 -2.862 -5.578 1.222 37 HD1 TRP 4 HD1 TRP 4 -4.499 -3.706 1.489 38 HE1 TRP 4 HE1 TRP 4 -6.445 -3.126 3.067 39 HE3 TRP 4 HE3 TRP 4 -4.125 -7.664 4.607 40 HZ2 TRP 4 HZ2 TRP 4 -7.656 -4.231 5.376 41 HZ3 TRP 4 HZ3 TRP 4 -5.697 -7.854 6.506 42 HH2 TRP 4 HH2 TRP 4 -7.426 -6.165 6.881 43 H SER 5 H SER 5 -1.117 -8.232 2.538 44 HA SER 5 HA SER 5 -2.160 -10.023 4.567 45 HB2 SER 5 1HB SER 5 0.669 -9.266 3.802 46 HB3 SER 5 2HB SER 5 0.256 -10.416 5.078 47 HG SER 5 HG SER 5 -0.514 -11.816 3.598 48 H GLU 6 H GLU 6 -2.511 -9.359 6.620 49 HA GLU 6 HA GLU 6 -2.783 -6.747 7.308 50 HB2 GLU 6 1HB GLU 6 -2.847 -7.415 9.665 51 HB3 GLU 6 2HB GLU 6 -3.799 -8.471 8.630 52 HG2 GLU 6 1HG GLU 6 -1.967 -10.077 8.639 53 HG3 GLU 6 2HG GLU 6 -1.063 -9.038 9.732 54 H ASN 7 H ASN 7 0.122 -8.642 7.641 55 HA ASN 7 HA ASN 7 1.535 -6.809 9.294 56 HB2 ASN 7 1HB ASN 7 2.653 -8.901 7.430 57 HB3 ASN 7 2HB ASN 7 3.482 -8.179 8.805 58 HD21 ASN 7 1HD2 ASN 7 2.928 -8.826 10.895 59 HD22 ASN 7 2HD2 ASN 7 1.981 -10.247 11.191 60 H VAL 8 H VAL 8 1.083 -7.219 5.891 61 HA VAL 8 HA VAL 8 3.162 -5.434 5.052 62 HB VAL 8 HB VAL 8 0.698 -6.311 3.523 63 HG11 VAL 8 1HG1 VAL 8 2.131 -5.830 1.560 64 HG12 VAL 8 2HG1 VAL 8 3.331 -5.139 2.651 65 HG13 VAL 8 3HG1 VAL 8 1.729 -4.412 2.524 66 HG21 VAL 8 3HG2 VAL 8 2.144 -8.044 2.537 67 HG22 VAL 8 1HG2 VAL 8 1.948 -8.265 4.276 68 HG23 VAL 8 2HG2 VAL 8 3.443 -7.580 3.637 69 H GLU 9 H GLU 9 -0.328 -5.291 5.456 70 HA GLU 9 HA GLU 9 -0.868 -2.790 4.445 71 HB2 GLU 9 1HB GLU 9 -2.531 -4.493 5.168 72 HB3 GLU 9 2HB GLU 9 -2.158 -4.113 6.841 73 HG2 GLU 9 1HG GLU 9 -3.127 -1.977 4.983 74 HG3 GLU 9 2HG GLU 9 -4.264 -3.104 5.716 75 H GLU 10 H GLU 10 0.182 -3.684 7.689 76 HA GLU 10 HA GLU 10 0.104 -1.130 8.842 77 HB2 GLU 10 1HB GLU 10 0.269 -3.211 10.136 78 HB3 GLU 10 2HB GLU 10 1.886 -3.485 9.503 79 HG2 GLU 10 1HG GLU 10 2.135 -2.622 11.686 80 HG3 GLU 10 2HG GLU 10 2.570 -1.325 10.576 81 H LYS 11 H LYS 11 2.848 -2.920 7.406 82 HA LYS 11 HA LYS 11 4.649 -0.761 7.942 83 HB2 LYS 11 1HB LYS 11 5.423 -3.073 8.005 84 HB3 LYS 11 2HB LYS 11 5.055 -3.258 6.295 85 HG2 LYS 11 1HG LYS 11 6.801 -1.799 5.654 86 HG3 LYS 11 2HG LYS 11 6.992 -1.193 7.298 87 HD2 LYS 11 1HD LYS 11 8.805 -2.705 6.713 88 HD3 LYS 11 2HD LYS 11 7.822 -3.376 8.014 89 HE2 LYS 11 1HE LYS 11 6.652 -4.793 6.388 90 HE3 LYS 11 2HE LYS 11 7.650 -4.125 5.095 91 HZ1 LYS 11 3HZ LYS 11 9.592 -5.075 6.084 92 HZ2 LYS 11 1HZ LYS 11 8.424 -6.300 5.941 93 HZ3 LYS 11 2HZ LYS 11 8.722 -5.582 7.451 94 H LEU 12 H LEU 12 2.822 -1.799 5.122 95 HA LEU 12 HA LEU 12 4.184 -0.280 3.184 96 HB2 LEU 12 1HB LEU 12 2.449 -1.958 2.648 97 HB3 LEU 12 2HB LEU 12 1.225 -0.900 3.323 98 HG LEU 12 HG LEU 12 1.866 0.796 1.572 99 HD11 LEU 12 1HD1 LEU 12 3.063 -0.029 -0.399 100 HD12 LEU 12 2HD1 LEU 12 3.368 -1.556 0.429 101 HD13 LEU 12 3HD1 LEU 12 4.079 -0.062 1.040 102 HD21 LEU 12 3HD2 LEU 12 -0.123 -0.595 1.378 103 HD22 LEU 12 1HD2 LEU 12 0.830 -1.868 0.622 104 HD23 LEU 12 2HD2 LEU 12 0.614 -0.324 -0.200 105 H LYS 13 H LYS 13 1.411 0.492 5.230 106 HA LYS 13 HA LYS 13 0.981 3.139 4.556 107 HB2 LYS 13 1HB LYS 13 -0.518 2.023 6.027 108 HB3 LYS 13 2HB LYS 13 0.765 1.648 7.159 109 HG2 LYS 13 1HG LYS 13 0.956 4.107 7.616 110 HG3 LYS 13 2HG LYS 13 -0.498 4.327 6.638 111 HD2 LYS 13 1HD LYS 13 -1.149 4.205 8.949 112 HD3 LYS 13 2HD LYS 13 -1.677 2.730 8.137 113 HE2 LYS 13 1HE LYS 13 0.500 1.691 8.976 114 HE3 LYS 13 2HE LYS 13 0.638 3.100 10.023 115 HZ1 LYS 13 3HZ LYS 13 -0.398 1.225 11.140 116 HZ2 LYS 13 1HZ LYS 13 -1.640 1.196 9.986 117 HZ3 LYS 13 2HZ LYS 13 -1.476 2.533 11.019 118 H GLU 14 H GLU 14 3.257 1.772 6.899 119 HA GLU 14 HA GLU 14 4.338 4.219 7.791 120 HB2 GLU 14 1HB GLU 14 5.697 1.520 7.699 121 HB3 GLU 14 2HB GLU 14 6.142 2.881 8.720 122 HG2 GLU 14 1HG GLU 14 4.025 2.702 9.905 123 HG3 GLU 14 2HG GLU 14 3.551 1.357 8.868 124 H PHE 15 H PHE 15 5.230 2.033 5.171 125 HA PHE 15 HA PHE 15 7.722 3.295 4.623 126 HB2 PHE 15 1HB PHE 15 7.215 0.914 4.183 127 HB3 PHE 15 2HB PHE 15 6.078 1.403 2.937 128 HD1 PHE 15 HD1 PHE 15 9.621 2.131 3.855 129 HD2 PHE 15 HD2 PHE 15 6.839 1.140 0.795 130 HE1 PHE 15 HE1 PHE 15 11.456 2.069 2.217 131 HE2 PHE 15 HE2 PHE 15 8.664 1.077 -0.850 132 HZ PHE 15 HZ PHE 15 10.979 1.546 -0.143 133 H VAL 16 H VAL 16 4.465 3.890 3.596 134 HA VAL 16 HA VAL 16 5.363 5.435 1.288 135 HB VAL 16 HB VAL 16 2.546 4.819 2.194 136 HG11 VAL 16 1HG1 VAL 16 3.547 5.957 -0.416 137 HG12 VAL 16 2HG1 VAL 16 2.644 6.829 0.823 138 HG13 VAL 16 3HG1 VAL 16 1.880 5.506 -0.058 139 HG21 VAL 16 3HG2 VAL 16 4.212 3.525 0.037 140 HG22 VAL 16 1HG2 VAL 16 2.521 3.175 0.391 141 HG23 VAL 16 2HG2 VAL 16 3.766 2.800 1.582 142 H LYS 17 H LYS 17 4.257 5.948 4.530 143 HA LYS 17 HA LYS 17 3.854 8.795 3.896 144 HB2 LYS 17 1HB LYS 17 2.579 7.154 6.082 145 HB3 LYS 17 2HB LYS 17 2.385 8.891 5.895 146 HG2 LYS 17 1HG LYS 17 1.512 6.792 3.917 147 HG3 LYS 17 2HG LYS 17 0.465 7.681 5.023 148 HD2 LYS 17 1HD LYS 17 2.102 8.856 2.769 149 HD3 LYS 17 2HD LYS 17 0.354 8.635 2.787 150 HE2 LYS 17 1HE LYS 17 1.899 10.385 4.694 151 HE3 LYS 17 2HE LYS 17 1.039 10.957 3.268 152 HZ1 LYS 17 3HZ LYS 17 -1.030 10.187 4.221 153 HZ2 LYS 17 1HZ LYS 17 -0.256 11.239 5.299 154 HZ3 LYS 17 2HZ LYS 17 -0.218 9.569 5.577 155 H ARG 18 H ARG 18 5.398 6.538 6.066 156 HA ARG 18 HA ARG 18 6.343 8.755 7.743 157 HB2 ARG 18 1HB ARG 18 6.453 5.778 8.262 158 HB3 ARG 18 2HB ARG 18 6.894 7.047 9.398 159 HG2 ARG 18 1HG ARG 18 4.588 7.827 9.444 160 HG3 ARG 18 2HG ARG 18 4.138 6.589 8.272 161 HD2 ARG 18 1HD ARG 18 3.549 5.905 10.539 162 HD3 ARG 18 2HD ARG 18 4.785 4.846 9.860 163 HE ARG 18 HE ARG 18 5.813 7.045 11.436 164 HH11 ARG 18 1HH1 ARG 18 4.670 3.732 11.516 165 HH12 ARG 18 2HH1 ARG 18 5.580 3.322 12.930 166 HH21 ARG 18 1HH2 ARG 18 6.992 6.518 13.313 167 HH22 ARG 18 2HH2 ARG 18 6.912 4.900 13.953 168 H HIS 19 H HIS 19 7.398 5.988 5.863 169 HA HIS 19 HA HIS 19 10.207 6.614 6.105 170 HB2 HIS 19 1HB HIS 19 9.048 4.301 5.737 171 HB3 HIS 19 2HB HIS 19 8.977 4.788 4.051 172 HD1 HIS 19 HD1 HIS 19 10.999 2.877 6.246 173 HD2 HIS 19 HD2 HIS 19 11.773 5.537 3.147 174 HE1 HIS 19 HE1 HIS 19 13.333 2.359 5.437 175 H GLN 20 H GLN 20 9.115 8.867 5.383 176 HA GLN 20 HA GLN 20 9.019 10.552 3.903 177 HB2 GLN 20 1HB GLN 20 10.838 8.683 2.487 178 HB3 GLN 20 2HB GLN 20 10.117 9.976 1.534 179 HG2 GLN 20 1HG GLN 20 11.029 11.606 3.146 180 HG3 GLN 20 2HG GLN 20 11.802 10.274 4.011 181 HE21 GLN 20 1HE2 GLN 20 13.871 11.053 3.625 182 HE22 GLN 20 2HE2 GLN 20 14.604 10.969 2.059 183 H ARG 21 H ARG 21 8.881 8.170 1.353 184 HA ARG 21 HA ARG 21 6.184 7.872 0.909 185 HB2 ARG 21 1HB ARG 21 7.289 10.409 -0.279 186 HB3 ARG 21 2HB ARG 21 6.073 9.496 -1.156 187 HG2 ARG 21 1HG ARG 21 4.687 9.653 0.992 188 HG3 ARG 21 2HG ARG 21 5.826 10.917 1.464 189 HD2 ARG 21 1HD ARG 21 3.954 11.975 0.430 190 HD3 ARG 21 2HD ARG 21 5.311 12.068 -0.694 191 HE ARG 21 HE ARG 21 4.287 10.371 -2.019 192 HH11 ARG 21 1HH1 ARG 21 2.295 11.601 0.591 193 HH12 ARG 21 2HH1 ARG 21 0.804 11.004 -0.086 194 HH21 ARG 21 1HH2 ARG 21 2.341 9.585 -2.928 195 HH22 ARG 21 2HH2 ARG 21 0.833 9.886 -2.111 196 H ILE 22 H ILE 22 5.767 7.139 -1.385 197 HA ILE 22 HA ILE 22 8.085 6.713 -3.053 198 HB ILE 22 HB ILE 22 8.235 4.806 -1.491 199 HG12 ILE 22 1HG1 ILE 22 7.360 3.922 -4.247 200 HG13 ILE 22 2HG1 ILE 22 8.940 4.609 -3.882 201 HG21 ILE 22 1HG2 ILE 22 6.512 3.040 -1.541 202 HG22 ILE 22 2HG2 ILE 22 5.503 4.083 -2.543 203 HG23 ILE 22 3HG2 ILE 22 5.899 4.562 -0.894 204 HD11 ILE 22 3HD1 ILE 22 7.815 2.052 -2.771 205 HD12 ILE 22 1HD1 ILE 22 9.394 2.735 -2.382 206 HD13 ILE 22 2HD1 ILE 22 9.046 2.195 -4.025 207 H THR 23 H THR 23 7.555 6.204 -5.195 208 HA THR 23 HA THR 23 4.917 6.883 -6.042 209 HB THR 23 HB THR 23 6.376 5.704 -8.163 210 HG1 THR 23 HG1 THR 23 8.360 5.985 -7.400 211 HG21 THR 23 3HG2 THR 23 5.921 8.594 -7.431 212 HG22 THR 23 1HG2 THR 23 4.808 7.575 -8.345 213 HG23 THR 23 2HG2 THR 23 6.381 7.992 -9.024 214 H GLN 24 H GLN 24 3.662 5.520 -7.555 215 HA GLN 24 HA GLN 24 2.826 3.242 -6.145 216 HB2 GLN 24 1HB GLN 24 1.315 4.615 -7.475 217 HB3 GLN 24 2HB GLN 24 2.143 4.132 -8.947 218 HG2 GLN 24 1HG GLN 24 1.457 1.791 -8.503 219 HG3 GLN 24 2HG GLN 24 0.529 2.369 -7.122 220 HE21 GLN 24 1HE2 GLN 24 0.833 4.182 -10.077 221 HE22 GLN 24 2HE2 GLN 24 -0.803 3.984 -10.598 222 H GLU 25 H GLU 25 4.892 3.528 -8.996 223 HA GLU 25 HA GLU 25 4.624 0.834 -9.815 224 HB2 GLU 25 1HB GLU 25 5.437 2.622 -11.290 225 HB3 GLU 25 2HB GLU 25 6.907 2.730 -10.329 226 HG2 GLU 25 1HG GLU 25 7.595 0.555 -10.988 227 HG3 GLU 25 2HG GLU 25 6.032 0.220 -11.733 228 H GLU 26 H GLU 26 7.325 2.428 -8.084 229 HA GLU 26 HA GLU 26 8.662 -0.008 -7.527 230 HB2 GLU 26 1HB GLU 26 8.855 2.482 -5.838 231 HB3 GLU 26 2HB GLU 26 10.072 1.235 -6.067 232 HG2 GLU 26 1HG GLU 26 10.932 2.825 -7.424 233 HG3 GLU 26 2HG GLU 26 9.876 2.020 -8.584 234 H LEU 27 H LEU 27 6.051 1.691 -6.051 235 HA LEU 27 HA LEU 27 5.975 0.380 -3.560 236 HB2 LEU 27 1HB LEU 27 4.717 2.450 -4.206 237 HB3 LEU 27 2HB LEU 27 3.666 1.455 -5.187 238 HG LEU 27 HG LEU 27 3.915 0.941 -2.234 239 HD11 LEU 27 1HD1 LEU 27 2.117 2.941 -3.595 240 HD12 LEU 27 2HD1 LEU 27 3.394 3.294 -2.428 241 HD13 LEU 27 3HD1 LEU 27 1.958 2.400 -1.925 242 HD21 LEU 27 3HD2 LEU 27 2.771 -0.742 -3.576 243 HD22 LEU 27 1HD2 LEU 27 1.717 0.497 -4.260 244 HD23 LEU 27 2HD2 LEU 27 1.621 0.108 -2.543 245 H HIS 28 H HIS 28 4.545 -0.369 -6.724 246 HA HIS 28 HA HIS 28 3.122 -2.660 -5.932 247 HB2 HIS 28 1HB HIS 28 2.796 -1.522 -8.120 248 HB3 HIS 28 2HB HIS 28 4.364 -2.133 -8.645 249 HD1 HIS 28 HD1 HIS 28 4.517 -4.902 -8.619 250 HD2 HIS 28 HD2 HIS 28 0.732 -3.174 -8.673 251 HE1 HIS 28 HE1 HIS 28 2.907 -6.740 -9.223 252 H GLN 29 H GLN 29 6.448 -2.229 -7.046 253 HA GLN 29 HA GLN 29 7.207 -4.916 -7.165 254 HB2 GLN 29 1HB GLN 29 8.627 -3.105 -8.001 255 HB3 GLN 29 2HB GLN 29 8.850 -2.503 -6.365 256 HG2 GLN 29 1HG GLN 29 10.807 -3.714 -7.112 257 HG3 GLN 29 2HG GLN 29 10.034 -4.545 -5.765 258 HE21 GLN 29 1HE2 GLN 29 9.055 -6.517 -6.101 259 HE22 GLN 29 2HE2 GLN 29 9.306 -7.446 -7.538 260 H TYR 30 H TYR 30 6.909 -2.701 -4.477 261 HA TYR 30 HA TYR 30 8.015 -4.515 -2.534 262 HB2 TYR 30 1HB TYR 30 8.080 -1.967 -2.449 263 HB3 TYR 30 2HB TYR 30 6.376 -2.030 -2.021 264 HD1 TYR 30 HD1 TYR 30 9.554 -3.670 -0.938 265 HD2 TYR 30 HD2 TYR 30 5.910 -1.810 0.225 266 HE1 TYR 30 HE1 TYR 30 10.196 -3.902 1.421 267 HE2 TYR 30 HE2 TYR 30 6.541 -2.043 2.591 268 HH TYR 30 HH TYR 30 9.699 -2.856 3.568 269 H ALA 31 H ALA 31 4.962 -3.949 -3.993 270 HA ALA 31 HA ALA 31 3.378 -4.962 -1.794 271 HB1 ALA 31 3HB ALA 31 2.592 -4.298 -4.633 272 HB2 ALA 31 1HB ALA 31 2.484 -3.213 -3.250 273 HB3 ALA 31 2HB ALA 31 1.482 -4.660 -3.313 274 H GLN 32 H GLN 32 4.222 -5.999 -5.075 275 HA GLN 32 HA GLN 32 3.001 -8.554 -4.864 276 HB2 GLN 32 1HB GLN 32 3.562 -7.371 -6.993 277 HB3 GLN 32 2HB GLN 32 5.260 -7.691 -6.677 278 HG2 GLN 32 1HG GLN 32 4.481 -9.291 -8.252 279 HG3 GLN 32 2HG GLN 32 4.752 -10.120 -6.720 280 HE21 GLN 32 1HE2 GLN 32 3.056 -10.794 -9.028 281 HE22 GLN 32 2HE2 GLN 32 1.462 -11.001 -8.385 282 H ARG 33 H ARG 33 6.033 -7.245 -3.851 283 HA ARG 33 HA ARG 33 7.439 -9.670 -3.451 284 HB2 ARG 33 1HB ARG 33 8.552 -7.473 -3.454 285 HB3 ARG 33 2HB ARG 33 7.689 -7.029 -1.988 286 HG2 ARG 33 1HG ARG 33 9.689 -7.666 -1.104 287 HG3 ARG 33 2HG ARG 33 8.826 -9.202 -1.048 288 HD2 ARG 33 1HD ARG 33 10.883 -9.782 -1.953 289 HD3 ARG 33 2HD ARG 33 9.854 -9.612 -3.375 290 HE ARG 33 HE ARG 33 11.550 -7.373 -2.486 291 HH11 ARG 33 1HH1 ARG 33 10.582 -9.671 -4.955 292 HH12 ARG 33 2HH1 ARG 33 11.648 -9.012 -6.165 293 HH21 ARG 33 1HH2 ARG 33 12.966 -6.522 -4.067 294 HH22 ARG 33 2HH2 ARG 33 12.993 -7.221 -5.665 295 H LEU 34 H LEU 34 5.143 -7.836 -1.514 296 HA LEU 34 HA LEU 34 5.635 -9.584 0.772 297 HB2 LEU 34 1HB LEU 34 4.143 -6.987 0.505 298 HB3 LEU 34 2HB LEU 34 4.187 -7.931 1.983 299 HG LEU 34 HG LEU 34 6.593 -6.744 0.601 300 HD11 LEU 34 1HD1 LEU 34 5.168 -5.046 1.632 301 HD12 LEU 34 2HD1 LEU 34 6.688 -5.232 2.506 302 HD13 LEU 34 3HD1 LEU 34 5.207 -5.938 3.154 303 HD21 LEU 34 3HD2 LEU 34 7.811 -7.438 2.594 304 HD22 LEU 34 1HD2 LEU 34 7.100 -8.827 1.772 305 HD23 LEU 34 2HD2 LEU 34 6.351 -8.190 3.236 306 H GLY 35 H GLY 35 3.176 -8.965 -1.630 307 HA2 GLY 35 1HA GLY 35 1.781 -10.999 -1.975 308 HA3 GLY 35 2HA GLY 35 1.527 -10.999 -0.238 309 H LEU 36 H LEU 36 1.372 -8.238 -2.503 310 HA LEU 36 HA LEU 36 -1.371 -7.838 -1.512 311 HB2 LEU 36 1HB LEU 36 0.360 -5.746 -2.806 312 HB3 LEU 36 2HB LEU 36 -1.126 -5.518 -1.908 313 HG LEU 36 HG LEU 36 1.569 -6.282 -0.799 314 HD11 LEU 36 1HD1 LEU 36 -0.254 -3.918 -0.389 315 HD12 LEU 36 2HD1 LEU 36 1.294 -3.928 -1.234 316 HD13 LEU 36 3HD1 LEU 36 1.237 -4.215 0.505 317 HD21 LEU 36 3HD2 LEU 36 -0.078 -7.615 0.343 318 HD22 LEU 36 1HD2 LEU 36 -1.103 -6.206 0.579 319 HD23 LEU 36 2HD2 LEU 36 0.448 -6.307 1.402 320 H ASN 37 H ASN 37 -3.025 -7.871 -2.855 321 HA ASN 37 HA ASN 37 -2.581 -8.067 -5.717 322 HB2 ASN 37 1HB ASN 37 -4.886 -8.630 -5.931 323 HB3 ASN 37 2HB ASN 37 -4.307 -9.473 -4.506 324 HD21 ASN 37 1HD2 ASN 37 -4.411 -6.913 -2.915 325 HD22 ASN 37 2HD2 ASN 37 -6.092 -6.712 -2.559 326 H GLU 38 H GLU 38 -3.904 -6.657 -7.198 327 HA GLU 38 HA GLU 38 -3.058 -4.016 -6.832 328 HB2 GLU 38 1HB GLU 38 -5.111 -5.164 -8.721 329 HB3 GLU 38 2HB GLU 38 -4.538 -3.503 -8.799 330 HG2 GLU 38 1HG GLU 38 -2.272 -4.282 -9.196 331 HG3 GLU 38 2HG GLU 38 -2.815 -5.956 -9.072 332 H GLU 39 H GLU 39 -6.088 -5.528 -6.007 333 HA GLU 39 HA GLU 39 -7.714 -3.316 -5.590 334 HB2 GLU 39 1HB GLU 39 -8.446 -5.662 -5.460 335 HB3 GLU 39 2HB GLU 39 -7.556 -5.848 -3.955 336 HG2 GLU 39 1HG GLU 39 -9.886 -5.565 -3.474 337 HG3 GLU 39 2HG GLU 39 -9.007 -4.136 -2.932 338 H ALA 40 H ALA 40 -5.505 -4.918 -3.321 339 HA ALA 40 HA ALA 40 -5.978 -3.084 -1.187 340 HB1 ALA 40 3HB ALA 40 -3.722 -5.045 -1.600 341 HB2 ALA 40 1HB ALA 40 -5.237 -5.365 -0.756 342 HB3 ALA 40 2HB ALA 40 -4.087 -4.202 -0.094 343 H ILE 41 H ILE 41 -3.669 -3.344 -3.784 344 HA ILE 41 HA ILE 41 -1.787 -1.461 -2.864 345 HB ILE 41 HB ILE 41 -2.471 -2.148 -5.730 346 HG12 ILE 41 1HG1 ILE 41 -0.432 -3.383 -3.864 347 HG13 ILE 41 2HG1 ILE 41 -1.943 -4.140 -4.371 348 HG21 ILE 41 1HG2 ILE 41 0.027 -0.965 -4.517 349 HG22 ILE 41 2HG2 ILE 41 -1.130 -0.128 -5.553 350 HG23 ILE 41 3HG2 ILE 41 -0.159 -1.450 -6.201 351 HD11 ILE 41 3HD1 ILE 41 0.347 -3.388 -6.179 352 HD12 ILE 41 1HD1 ILE 41 -1.154 -4.168 -6.679 353 HD13 ILE 41 2HD1 ILE 41 -0.034 -5.013 -5.608 354 H ARG 42 H ARG 42 -4.604 -1.189 -4.984 355 HA ARG 42 HA ARG 42 -4.325 1.614 -5.418 356 HB2 ARG 42 1HB ARG 42 -5.562 -0.069 -6.882 357 HB3 ARG 42 2HB ARG 42 -6.857 0.006 -5.705 358 HG2 ARG 42 1HG ARG 42 -7.088 2.396 -6.133 359 HG3 ARG 42 2HG ARG 42 -5.786 2.294 -7.317 360 HD2 ARG 42 1HD ARG 42 -8.504 1.045 -7.428 361 HD3 ARG 42 2HD ARG 42 -7.792 2.194 -8.559 362 HE ARG 42 HE ARG 42 -7.351 -0.680 -8.435 363 HH11 ARG 42 1HH1 ARG 42 -6.274 2.385 -9.740 364 HH12 ARG 42 2HH1 ARG 42 -5.484 1.676 -11.105 365 HH21 ARG 42 1HH2 ARG 42 -6.301 -1.629 -10.217 366 HH22 ARG 42 2HH2 ARG 42 -5.471 -0.630 -11.367 367 H GLN 43 H GLN 43 -5.962 -0.391 -3.077 368 HA GLN 43 HA GLN 43 -7.804 1.424 -2.044 369 HB2 GLN 43 1HB GLN 43 -7.679 -1.022 -1.499 370 HB3 GLN 43 2HB GLN 43 -6.307 -0.672 -0.453 371 HG2 GLN 43 1HG GLN 43 -7.735 0.828 0.872 372 HG3 GLN 43 2HG GLN 43 -9.102 0.393 -0.148 373 HE21 GLN 43 1HE2 GLN 43 -10.306 -0.468 1.444 374 HE22 GLN 43 2HE2 GLN 43 -9.905 -1.938 2.274 375 H PHE 44 H PHE 44 -4.379 1.038 -1.374 376 HA PHE 44 HA PHE 44 -4.318 2.728 0.900 377 HB2 PHE 44 1HB PHE 44 -2.405 1.331 -0.810 378 HB3 PHE 44 2HB PHE 44 -1.784 2.803 -0.080 379 HD1 PHE 44 HD1 PHE 44 -3.428 -0.420 0.731 380 HD2 PHE 44 HD2 PHE 44 -1.163 2.889 2.155 381 HE1 PHE 44 HE1 PHE 44 -3.126 -1.558 2.890 382 HE2 PHE 44 HE2 PHE 44 -0.865 1.761 4.317 383 HZ PHE 44 HZ PHE 44 -1.849 -0.459 4.690 384 H PHE 45 H PHE 45 -4.299 3.328 -2.483 385 HA PHE 45 HA PHE 45 -3.581 6.119 -2.033 386 HB2 PHE 45 1HB PHE 45 -4.377 4.649 -4.556 387 HB3 PHE 45 2HB PHE 45 -3.964 6.359 -4.498 388 HD1 PHE 45 HD1 PHE 45 -1.660 7.054 -3.949 389 HD2 PHE 45 HD2 PHE 45 -2.702 2.971 -4.541 390 HE1 PHE 45 HE1 PHE 45 0.717 6.499 -4.268 391 HE2 PHE 45 HE2 PHE 45 -0.331 2.405 -4.857 392 HZ PHE 45 HZ PHE 45 1.385 4.172 -4.722 393 H GLU 46 H GLU 46 -6.371 4.283 -3.254 394 HA GLU 46 HA GLU 46 -7.930 6.647 -3.621 395 HB2 GLU 46 1HB GLU 46 -9.582 5.241 -4.533 396 HB3 GLU 46 2HB GLU 46 -8.048 4.507 -4.965 397 HG2 GLU 46 1HG GLU 46 -8.323 2.922 -3.081 398 HG3 GLU 46 2HG GLU 46 -9.918 3.615 -2.799 399 H GLU 47 H GLU 47 -7.898 4.064 -1.224 400 HA GLU 47 HA GLU 47 -10.101 5.362 0.186 401 HB2 GLU 47 1HB GLU 47 -8.876 2.645 0.309 402 HB3 GLU 47 2HB GLU 47 -9.790 3.244 1.690 403 HG2 GLU 47 1HG GLU 47 -11.604 3.767 -0.113 404 HG3 GLU 47 2HG GLU 47 -10.722 2.566 -1.057 405 H PHE 48 H PHE 48 -7.070 6.092 0.102 406 HA PHE 48 HA PHE 48 -6.557 6.143 2.968 407 HB2 PHE 48 1HB PHE 48 -4.827 5.944 0.948 408 HB3 PHE 48 2HB PHE 48 -4.886 7.698 1.047 409 HD1 PHE 48 HD1 PHE 48 -4.826 8.480 3.704 410 HD2 PHE 48 HD2 PHE 48 -3.056 5.010 1.997 411 HE1 PHE 48 HE1 PHE 48 -3.199 8.405 5.545 412 HE2 PHE 48 HE2 PHE 48 -1.429 4.929 3.825 413 HZ PHE 48 HZ PHE 48 -1.492 6.626 5.611 414 H GLU 49 H GLU 49 -6.530 8.620 0.423 415 HA GLU 49 HA GLU 49 -8.031 10.407 2.199 416 HB2 GLU 49 1HB GLU 49 -6.537 12.272 1.458 417 HB3 GLU 49 2HB GLU 49 -5.740 11.068 2.465 418 HG2 GLU 49 1HG GLU 49 -4.693 10.074 0.567 419 HG3 GLU 49 2HG GLU 49 -5.612 11.094 -0.537 420 H GLN 50 H GLN 50 -8.048 8.839 -0.612 421 HA GLN 50 HA GLN 50 -9.079 11.063 -2.217 422 HB2 GLN 50 1HB GLN 50 -8.404 8.225 -3.022 423 HB3 GLN 50 2HB GLN 50 -8.971 9.483 -4.114 424 HG2 GLN 50 1HG GLN 50 -6.416 9.588 -2.524 425 HG3 GLN 50 2HG GLN 50 -6.539 9.150 -4.226 426 HE21 GLN 50 1HE2 GLN 50 -8.553 11.107 -4.871 427 HE22 GLN 50 2HE2 GLN 50 -7.774 12.653 -4.835 428 H ARG 51 H ARG 51 -10.252 9.365 0.065 429 HA ARG 51 HA ARG 51 -12.605 8.175 -1.020 430 HB2 ARG 51 1HB ARG 51 -11.656 8.902 1.727 431 HB3 ARG 51 2HB ARG 51 -13.331 8.433 1.475 432 HG2 ARG 51 1HG ARG 51 -12.705 6.281 0.731 433 HG3 ARG 51 2HG ARG 51 -11.007 6.750 0.610 434 HD2 ARG 51 1HD ARG 51 -10.712 6.782 2.905 435 HD3 ARG 51 2HD ARG 51 -12.445 6.910 3.225 436 HE ARG 51 HE ARG 51 -12.093 4.478 1.978 437 HH11 ARG 51 1HH1 ARG 51 -10.806 5.991 4.861 438 HH12 ARG 51 2HH1 ARG 51 -10.746 4.505 5.756 439 HH21 ARG 51 1HH2 ARG 51 -11.994 2.523 3.136 440 HH22 ARG 51 2HH2 ARG 51 -11.406 2.528 4.782 441 H LYS 52 H LYS 52 -14.357 9.170 -1.690 442 HA LYS 52 HA LYS 52 -14.628 12.034 -1.166 443 HB2 LYS 52 1HB LYS 52 -16.019 10.278 -3.200 444 HB3 LYS 52 2HB LYS 52 -16.142 12.031 -3.093 445 HG2 LYS 52 1HG LYS 52 -13.902 12.336 -3.750 446 HG3 LYS 52 2HG LYS 52 -13.517 10.634 -3.499 447 HD2 LYS 52 1HD LYS 52 -15.331 11.761 -5.631 448 HD3 LYS 52 2HD LYS 52 -13.699 11.134 -5.872 449 HE2 LYS 52 1HE LYS 52 -14.515 8.940 -4.970 450 HE3 LYS 52 2HE LYS 52 -16.147 9.603 -5.015 451 HZ1 LYS 52 3HZ LYS 52 -15.860 8.412 -7.004 452 HZ2 LYS 52 1HZ LYS 52 -14.331 9.080 -7.295 453 HZ3 LYS 52 2HZ LYS 52 -15.719 10.042 -7.444 Start of MODEL 29 1 H1 MET 1 1H MET 1 -7.641 -14.225 1.021 2 H2 MET 1 2H MET 1 -9.248 -14.459 0.531 3 H3 MET 1 3H MET 1 -8.669 -15.228 1.926 4 HA MET 1 HA MET 1 -10.061 -13.357 2.489 5 HB2 MET 1 1HB MET 1 -8.124 -13.978 3.932 6 HB3 MET 1 2HB MET 1 -7.138 -12.811 3.065 7 HG2 MET 1 1HG MET 1 -8.606 -11.009 3.827 8 HG3 MET 1 2HG MET 1 -9.577 -12.183 4.712 9 HE1 MET 1 3HE MET 1 -5.632 -12.070 4.319 10 HE2 MET 1 1HE MET 1 -5.202 -11.112 5.735 11 HE3 MET 1 2HE MET 1 -6.124 -10.379 4.422 12 H LYS 2 H LYS 2 -10.741 -11.244 2.015 13 HA LYS 2 HA LYS 2 -9.492 -10.095 -0.357 14 HB2 LYS 2 1HB LYS 2 -11.488 -8.598 -0.364 15 HB3 LYS 2 2HB LYS 2 -11.880 -10.312 -0.503 16 HG2 LYS 2 1HG LYS 2 -12.371 -10.314 1.944 17 HG3 LYS 2 2HG LYS 2 -12.156 -8.561 1.934 18 HD2 LYS 2 1HD LYS 2 -13.960 -8.322 0.332 19 HD3 LYS 2 2HD LYS 2 -14.141 -10.074 0.239 20 HE2 LYS 2 1HE LYS 2 -15.852 -9.255 1.675 21 HE3 LYS 2 2HE LYS 2 -14.658 -10.067 2.684 22 HZ1 LYS 2 3HZ LYS 2 -15.420 -7.950 3.616 23 HZ2 LYS 2 1HZ LYS 2 -14.809 -7.130 2.266 24 HZ3 LYS 2 2HZ LYS 2 -13.751 -7.943 3.318 25 H GLN 3 H GLN 3 -8.367 -9.843 2.454 26 HA GLN 3 HA GLN 3 -8.294 -6.919 2.514 27 HB2 GLN 3 1HB GLN 3 -7.707 -8.978 4.664 28 HB3 GLN 3 2HB GLN 3 -7.346 -7.265 4.833 29 HG2 GLN 3 1HG GLN 3 -9.584 -6.672 4.930 30 HG3 GLN 3 2HG GLN 3 -10.115 -8.177 4.183 31 HE21 GLN 3 1HE2 GLN 3 -9.022 -6.669 7.138 32 HE22 GLN 3 2HE2 GLN 3 -9.524 -7.944 8.197 33 H TRP 4 H TRP 4 -6.274 -5.985 2.197 34 HA TRP 4 HA TRP 4 -4.091 -7.269 1.121 35 HB2 TRP 4 1HB TRP 4 -3.227 -5.343 3.138 36 HB3 TRP 4 2HB TRP 4 -3.012 -5.303 1.393 37 HD1 TRP 4 HD1 TRP 4 -4.416 -3.590 0.104 38 HE1 TRP 4 HE1 TRP 4 -6.300 -1.931 0.703 39 HE3 TRP 4 HE3 TRP 4 -5.317 -5.141 4.855 40 HZ2 TRP 4 HZ2 TRP 4 -7.952 -1.368 2.933 41 HZ3 TRP 4 HZ3 TRP 4 -7.062 -4.003 6.165 42 HH2 TRP 4 HH2 TRP 4 -8.349 -2.154 5.223 43 H SER 5 H SER 5 -2.259 -8.307 2.018 44 HA SER 5 HA SER 5 -2.430 -9.822 4.301 45 HB2 SER 5 1HB SER 5 0.162 -8.497 3.508 46 HB3 SER 5 2HB SER 5 -0.093 -10.119 4.150 47 HG SER 5 HG SER 5 -1.018 -10.718 2.187 48 H GLU 6 H GLU 6 -3.232 -8.924 6.124 49 HA GLU 6 HA GLU 6 -3.390 -6.427 6.980 50 HB2 GLU 6 1HB GLU 6 -4.309 -8.326 8.198 51 HB3 GLU 6 2HB GLU 6 -2.711 -8.710 8.823 52 HG2 GLU 6 1HG GLU 6 -2.647 -6.749 10.133 53 HG3 GLU 6 2HG GLU 6 -4.054 -6.072 9.314 54 H ASN 7 H ASN 7 -0.422 -8.308 7.611 55 HA ASN 7 HA ASN 7 0.866 -6.344 9.161 56 HB2 ASN 7 1HB ASN 7 2.043 -8.484 7.396 57 HB3 ASN 7 2HB ASN 7 2.983 -7.510 8.523 58 HD21 ASN 7 1HD2 ASN 7 2.616 -7.757 10.757 59 HD22 ASN 7 2HD2 ASN 7 1.916 -9.215 11.389 60 H VAL 8 H VAL 8 0.559 -6.761 5.736 61 HA VAL 8 HA VAL 8 2.570 -4.918 4.934 62 HB VAL 8 HB VAL 8 0.129 -5.907 3.442 63 HG11 VAL 8 1HG1 VAL 8 0.797 -3.950 2.362 64 HG12 VAL 8 2HG1 VAL 8 1.542 -5.255 1.444 65 HG13 VAL 8 3HG1 VAL 8 2.511 -4.311 2.571 66 HG21 VAL 8 3HG2 VAL 8 1.617 -7.720 4.078 67 HG22 VAL 8 1HG2 VAL 8 2.998 -6.847 3.411 68 HG23 VAL 8 2HG2 VAL 8 1.722 -7.427 2.341 69 H GLU 9 H GLU 9 -0.985 -4.715 5.043 70 HA GLU 9 HA GLU 9 -1.555 -2.177 4.396 71 HB2 GLU 9 1HB GLU 9 -3.205 -3.782 5.175 72 HB3 GLU 9 2HB GLU 9 -2.566 -3.700 6.807 73 HG2 GLU 9 1HG GLU 9 -3.664 -1.251 5.480 74 HG3 GLU 9 2HG GLU 9 -4.744 -2.435 6.211 75 H GLU 10 H GLU 10 -0.469 -3.126 7.640 76 HA GLU 10 HA GLU 10 -0.301 -0.604 8.788 77 HB2 GLU 10 1HB GLU 10 -0.165 -2.512 10.187 78 HB3 GLU 10 2HB GLU 10 1.193 -3.170 9.287 79 HG2 GLU 10 1HG GLU 10 2.644 -1.441 10.135 80 HG3 GLU 10 2HG GLU 10 1.289 -0.675 10.967 81 H LYS 11 H LYS 11 2.334 -2.477 7.256 82 HA LYS 11 HA LYS 11 4.182 -0.335 7.788 83 HB2 LYS 11 1HB LYS 11 4.842 -2.677 8.023 84 HB3 LYS 11 2HB LYS 11 4.595 -2.926 6.298 85 HG2 LYS 11 1HG LYS 11 6.455 -1.647 5.723 86 HG3 LYS 11 2HG LYS 11 6.506 -0.845 7.292 87 HD2 LYS 11 1HD LYS 11 6.926 -3.800 7.084 88 HD3 LYS 11 2HD LYS 11 8.247 -2.685 6.743 89 HE2 LYS 11 1HE LYS 11 8.257 -3.483 9.075 90 HE3 LYS 11 2HE LYS 11 8.076 -1.737 8.959 91 HZ1 LYS 11 3HZ LYS 11 5.768 -3.570 9.307 92 HZ2 LYS 11 1HZ LYS 11 5.798 -1.883 9.514 93 HZ3 LYS 11 2HZ LYS 11 6.610 -2.894 10.614 94 H LEU 12 H LEU 12 2.210 -1.275 5.136 95 HA LEU 12 HA LEU 12 3.662 0.013 3.060 96 HB2 LEU 12 1HB LEU 12 1.599 -1.596 2.974 97 HB3 LEU 12 2HB LEU 12 0.666 -0.124 3.117 98 HG LEU 12 HG LEU 12 1.724 0.733 1.053 99 HD11 LEU 12 1HD1 LEU 12 3.010 -0.829 -0.349 100 HD12 LEU 12 2HD1 LEU 12 2.988 -2.005 0.962 101 HD13 LEU 12 3HD1 LEU 12 3.831 -0.470 1.170 102 HD21 LEU 12 3HD2 LEU 12 0.429 -1.981 0.797 103 HD22 LEU 12 1HD2 LEU 12 0.564 -0.782 -0.488 104 HD23 LEU 12 2HD2 LEU 12 -0.411 -0.437 0.939 105 H LYS 13 H LYS 13 1.077 0.995 5.238 106 HA LYS 13 HA LYS 13 0.873 3.685 4.492 107 HB2 LYS 13 1HB LYS 13 -0.825 2.798 5.859 108 HB3 LYS 13 2HB LYS 13 0.321 2.153 7.019 109 HG2 LYS 13 1HG LYS 13 0.223 5.097 6.713 110 HG3 LYS 13 2HG LYS 13 -1.146 4.308 7.498 111 HD2 LYS 13 1HD LYS 13 0.708 3.075 8.860 112 HD3 LYS 13 2HD LYS 13 1.718 4.432 8.351 113 HE2 LYS 13 1HE LYS 13 0.768 4.933 10.506 114 HE3 LYS 13 2HE LYS 13 0.017 5.979 9.300 115 HZ1 LYS 13 3HZ LYS 13 -1.186 3.462 10.327 116 HZ2 LYS 13 1HZ LYS 13 -1.919 4.576 9.283 117 HZ3 LYS 13 2HZ LYS 13 -1.586 5.012 10.883 118 H GLU 14 H GLU 14 3.043 2.026 6.722 119 HA GLU 14 HA GLU 14 4.318 4.326 7.752 120 HB2 GLU 14 1HB GLU 14 5.457 1.548 7.407 121 HB3 GLU 14 2HB GLU 14 6.114 2.805 8.441 122 HG2 GLU 14 1HG GLU 14 4.011 2.750 9.755 123 HG3 GLU 14 2HG GLU 14 3.482 1.390 8.763 124 H PHE 15 H PHE 15 5.066 2.215 5.001 125 HA PHE 15 HA PHE 15 7.563 3.482 4.457 126 HB2 PHE 15 1HB PHE 15 7.001 1.098 4.003 127 HB3 PHE 15 2HB PHE 15 5.926 1.635 2.725 128 HD1 PHE 15 HD1 PHE 15 9.423 2.473 3.730 129 HD2 PHE 15 HD2 PHE 15 6.790 1.165 0.658 130 HE1 PHE 15 HE1 PHE 15 11.313 2.370 2.159 131 HE2 PHE 15 HE2 PHE 15 8.672 1.063 -0.918 132 HZ PHE 15 HZ PHE 15 10.940 1.669 -0.170 133 H VAL 16 H VAL 16 4.320 4.198 3.626 134 HA VAL 16 HA VAL 16 5.144 5.867 1.375 135 HB VAL 16 HB VAL 16 2.375 5.283 2.452 136 HG11 VAL 16 1HG1 VAL 16 2.475 7.516 1.465 137 HG12 VAL 16 2HG1 VAL 16 1.545 6.415 0.448 138 HG13 VAL 16 3HG1 VAL 16 3.196 6.845 0.001 139 HG21 VAL 16 3HG2 VAL 16 3.773 4.371 -0.064 140 HG22 VAL 16 1HG2 VAL 16 2.104 4.009 0.379 141 HG23 VAL 16 2HG2 VAL 16 3.433 3.376 1.350 142 H LYS 17 H LYS 17 3.371 6.233 4.457 143 HA LYS 17 HA LYS 17 3.442 9.123 4.145 144 HB2 LYS 17 1HB LYS 17 2.238 7.489 6.381 145 HB3 LYS 17 2HB LYS 17 1.955 9.190 6.053 146 HG2 LYS 17 1HG LYS 17 1.170 6.909 4.255 147 HG3 LYS 17 2HG LYS 17 0.088 7.775 5.341 148 HD2 LYS 17 1HD LYS 17 1.626 9.080 3.091 149 HD3 LYS 17 2HD LYS 17 -0.018 8.471 2.924 150 HE2 LYS 17 1HE LYS 17 -0.165 10.817 3.296 151 HE3 LYS 17 2HE LYS 17 -0.687 10.034 4.782 152 HZ1 LYS 17 3HZ LYS 17 0.836 11.975 5.065 153 HZ2 LYS 17 1HZ LYS 17 2.068 11.052 4.357 154 HZ3 LYS 17 2HZ LYS 17 1.362 10.554 5.820 155 H ARG 18 H ARG 18 4.926 6.656 6.167 156 HA ARG 18 HA ARG 18 6.028 8.740 7.919 157 HB2 ARG 18 1HB ARG 18 6.019 5.745 8.324 158 HB3 ARG 18 2HB ARG 18 6.488 6.960 9.504 159 HG2 ARG 18 1HG ARG 18 4.203 7.808 9.553 160 HG3 ARG 18 2HG ARG 18 3.727 6.608 8.351 161 HD2 ARG 18 1HD ARG 18 3.083 5.815 10.521 162 HD3 ARG 18 2HD ARG 18 4.419 4.826 9.934 163 HE ARG 18 HE ARG 18 5.229 7.047 11.600 164 HH11 ARG 18 1HH1 ARG 18 4.255 3.676 11.540 165 HH12 ARG 18 2HH1 ARG 18 4.949 3.316 13.082 166 HH21 ARG 18 1HH2 ARG 18 6.169 6.563 13.612 167 HH22 ARG 18 2HH2 ARG 18 6.045 4.956 14.269 168 H HIS 19 H HIS 19 6.917 7.351 5.170 169 HA HIS 19 HA HIS 19 9.747 7.101 5.945 170 HB2 HIS 19 1HB HIS 19 8.257 5.160 4.793 171 HB3 HIS 19 2HB HIS 19 8.829 5.984 3.347 172 HD1 HIS 19 HD1 HIS 19 9.959 3.755 6.119 173 HD2 HIS 19 HD2 HIS 19 11.585 5.782 2.872 174 HE1 HIS 19 HE1 HIS 19 12.286 2.825 5.792 175 H GLN 20 H GLN 20 10.732 7.216 3.280 176 HA GLN 20 HA GLN 20 10.662 10.075 2.872 177 HB2 GLN 20 1HB GLN 20 12.145 7.902 1.381 178 HB3 GLN 20 2HB GLN 20 12.387 9.629 1.167 179 HG2 GLN 20 1HG GLN 20 13.217 9.837 3.418 180 HG3 GLN 20 2HG GLN 20 12.859 8.140 3.738 181 HE21 GLN 20 1HE2 GLN 20 14.989 7.673 4.238 182 HE22 GLN 20 2HE2 GLN 20 16.222 7.582 3.026 183 H ARG 21 H ARG 21 8.379 8.116 2.167 184 HA ARG 21 HA ARG 21 6.743 7.910 0.622 185 HB2 ARG 21 1HB ARG 21 8.083 10.258 -0.740 186 HB3 ARG 21 2HB ARG 21 6.492 9.624 -1.131 187 HG2 ARG 21 1HG ARG 21 5.698 10.222 1.088 188 HG3 ARG 21 2HG ARG 21 7.302 10.830 1.502 189 HD2 ARG 21 1HD ARG 21 5.479 11.887 -0.653 190 HD3 ARG 21 2HD ARG 21 5.845 12.663 0.884 191 HE ARG 21 HE ARG 21 8.213 12.159 -0.618 192 HH11 ARG 21 1HH1 ARG 21 5.473 14.338 -0.361 193 HH12 ARG 21 2HH1 ARG 21 6.310 15.680 -1.086 194 HH21 ARG 21 1HH2 ARG 21 9.304 13.904 -1.583 195 HH22 ARG 21 2HH2 ARG 21 8.493 15.427 -1.797 196 H ILE 22 H ILE 22 6.468 7.661 -1.927 197 HA ILE 22 HA ILE 22 8.728 6.708 -3.349 198 HB ILE 22 HB ILE 22 8.628 4.885 -1.734 199 HG12 ILE 22 1HG1 ILE 22 7.557 3.987 -4.416 200 HG13 ILE 22 2HG1 ILE 22 9.240 4.380 -4.084 201 HG21 ILE 22 1HG2 ILE 22 6.680 3.414 -1.576 202 HG22 ILE 22 2HG2 ILE 22 5.794 4.472 -2.672 203 HG23 ILE 22 3HG2 ILE 22 6.291 5.063 -1.086 204 HD11 ILE 22 3HD1 ILE 22 7.665 2.167 -2.801 205 HD12 ILE 22 1HD1 ILE 22 9.355 2.553 -2.485 206 HD13 ILE 22 2HD1 ILE 22 8.865 1.983 -4.082 207 H THR 23 H THR 23 8.212 6.170 -5.490 208 HA THR 23 HA THR 23 5.693 7.136 -6.440 209 HB THR 23 HB THR 23 6.858 5.925 -8.603 210 HG1 THR 23 HG1 THR 23 9.067 7.120 -7.383 211 HG21 THR 23 3HG2 THR 23 7.654 8.178 -9.173 212 HG22 THR 23 1HG2 THR 23 7.408 8.685 -7.503 213 HG23 THR 23 2HG2 THR 23 6.026 8.222 -8.495 214 H GLN 24 H GLN 24 4.410 5.816 -8.056 215 HA GLN 24 HA GLN 24 3.307 3.742 -6.455 216 HB2 GLN 24 1HB GLN 24 1.995 5.394 -7.787 217 HB3 GLN 24 2HB GLN 24 2.507 4.558 -9.245 218 HG2 GLN 24 1HG GLN 24 1.361 2.558 -8.560 219 HG3 GLN 24 2HG GLN 24 0.935 3.290 -7.013 220 HE21 GLN 24 1HE2 GLN 24 -0.630 4.920 -6.962 221 HE22 GLN 24 2HE2 GLN 24 -1.745 5.148 -8.260 222 H GLU 25 H GLU 25 5.249 3.732 -9.402 223 HA GLU 25 HA GLU 25 4.626 1.092 -10.208 224 HB2 GLU 25 1HB GLU 25 5.662 2.761 -11.690 225 HB3 GLU 25 2HB GLU 25 7.129 2.696 -10.724 226 HG2 GLU 25 1HG GLU 25 7.316 0.282 -11.296 227 HG3 GLU 25 2HG GLU 25 5.954 0.495 -12.395 228 H GLU 26 H GLU 26 7.462 2.362 -8.448 229 HA GLU 26 HA GLU 26 8.614 -0.140 -7.862 230 HB2 GLU 26 1HB GLU 26 9.825 2.002 -7.661 231 HB3 GLU 26 2HB GLU 26 8.810 2.445 -6.299 232 HG2 GLU 26 1HG GLU 26 10.890 1.707 -5.436 233 HG3 GLU 26 2HG GLU 26 9.696 0.460 -5.080 234 H LEU 27 H LEU 27 6.151 1.782 -6.285 235 HA LEU 27 HA LEU 27 5.921 0.391 -3.876 236 HB2 LEU 27 1HB LEU 27 4.798 2.581 -4.666 237 HB3 LEU 27 2HB LEU 27 3.576 1.541 -5.367 238 HG LEU 27 HG LEU 27 2.996 2.517 -3.129 239 HD11 LEU 27 1HD1 LEU 27 3.083 -0.485 -3.353 240 HD12 LEU 27 2HD1 LEU 27 1.808 0.583 -3.941 241 HD13 LEU 27 3HD1 LEU 27 2.094 0.422 -2.210 242 HD21 LEU 27 3HD2 LEU 27 5.077 0.572 -2.141 243 HD22 LEU 27 1HD2 LEU 27 4.002 1.548 -1.139 244 HD23 LEU 27 2HD2 LEU 27 5.236 2.328 -2.132 245 H HIS 28 H HIS 28 4.390 -0.178 -7.038 246 HA HIS 28 HA HIS 28 2.765 -2.336 -6.285 247 HB2 HIS 28 1HB HIS 28 2.714 -1.090 -8.492 248 HB3 HIS 28 2HB HIS 28 4.119 -2.029 -8.974 249 HD1 HIS 28 HD1 HIS 28 3.142 -4.819 -7.892 250 HD2 HIS 28 HD2 HIS 28 0.849 -2.177 -10.131 251 HE1 HIS 28 HE1 HIS 28 1.323 -6.196 -8.954 252 H GLN 29 H GLN 29 6.124 -2.203 -7.334 253 HA GLN 29 HA GLN 29 6.589 -4.990 -7.406 254 HB2 GLN 29 1HB GLN 29 8.504 -2.694 -6.957 255 HB3 GLN 29 2HB GLN 29 8.992 -4.355 -7.265 256 HG2 GLN 29 1HG GLN 29 7.376 -2.647 -9.143 257 HG3 GLN 29 2HG GLN 29 9.110 -2.942 -9.266 258 HE21 GLN 29 1HE2 GLN 29 8.945 -5.707 -8.447 259 HE22 GLN 29 2HE2 GLN 29 8.247 -6.577 -9.773 260 H TYR 30 H TYR 30 6.728 -2.589 -4.883 261 HA TYR 30 HA TYR 30 7.908 -4.294 -2.911 262 HB2 TYR 30 1HB TYR 30 8.166 -1.855 -2.848 263 HB3 TYR 30 2HB TYR 30 6.429 -1.663 -2.659 264 HD1 TYR 30 HD1 TYR 30 9.348 -3.286 -0.987 265 HD2 TYR 30 HD2 TYR 30 5.559 -1.405 -0.536 266 HE1 TYR 30 HE1 TYR 30 9.620 -3.335 1.457 267 HE2 TYR 30 HE2 TYR 30 5.819 -1.445 1.909 268 HH TYR 30 HH TYR 30 7.018 -2.599 3.607 269 H ALA 31 H ALA 31 4.696 -3.660 -4.048 270 HA ALA 31 HA ALA 31 3.291 -4.549 -1.735 271 HB1 ALA 31 3HB ALA 31 1.328 -4.593 -3.211 272 HB2 ALA 31 1HB ALA 31 2.380 -4.336 -4.603 273 HB3 ALA 31 2HB ALA 31 2.234 -3.087 -3.365 274 H GLN 32 H GLN 32 3.996 -6.063 -4.870 275 HA GLN 32 HA GLN 32 2.975 -8.618 -4.163 276 HB2 GLN 32 1HB GLN 32 3.260 -7.858 -6.490 277 HB3 GLN 32 2HB GLN 32 5.004 -7.855 -6.273 278 HG2 GLN 32 1HG GLN 32 4.984 -10.262 -5.952 279 HG3 GLN 32 2HG GLN 32 3.227 -10.278 -6.104 280 HE21 GLN 32 1HE2 GLN 32 3.288 -11.665 -7.856 281 HE22 GLN 32 2HE2 GLN 32 3.797 -11.139 -9.427 282 H ARG 33 H ARG 33 5.862 -6.947 -3.499 283 HA ARG 33 HA ARG 33 7.553 -9.178 -2.936 284 HB2 ARG 33 1HB ARG 33 8.165 -6.721 -3.483 285 HB3 ARG 33 2HB ARG 33 7.856 -6.416 -1.783 286 HG2 ARG 33 1HG ARG 33 9.610 -7.947 -1.151 287 HG3 ARG 33 2HG ARG 33 9.876 -8.375 -2.843 288 HD2 ARG 33 1HD ARG 33 10.336 -5.701 -1.530 289 HD3 ARG 33 2HD ARG 33 11.546 -6.774 -2.231 290 HE ARG 33 HE ARG 33 9.837 -6.207 -4.294 291 HH11 ARG 33 1HH1 ARG 33 11.879 -4.344 -2.154 292 HH12 ARG 33 2HH1 ARG 33 12.065 -3.022 -3.270 293 HH21 ARG 33 1HH2 ARG 33 10.063 -4.462 -5.756 294 HH22 ARG 33 2HH2 ARG 33 11.010 -3.076 -5.309 295 H LEU 34 H LEU 34 4.945 -7.737 -1.317 296 HA LEU 34 HA LEU 34 5.799 -8.905 1.245 297 HB2 LEU 34 1HB LEU 34 3.922 -6.622 0.671 298 HB3 LEU 34 2HB LEU 34 4.081 -7.370 2.247 299 HG LEU 34 HG LEU 34 6.259 -5.908 0.748 300 HD11 LEU 34 1HD1 LEU 34 4.770 -5.201 3.274 301 HD12 LEU 34 2HD1 LEU 34 4.525 -4.455 1.695 302 HD13 LEU 34 3HD1 LEU 34 6.067 -4.266 2.530 303 HD21 LEU 34 3HD2 LEU 34 7.174 -7.762 2.048 304 HD22 LEU 34 1HD2 LEU 34 6.305 -7.200 3.477 305 HD23 LEU 34 2HD2 LEU 34 7.587 -6.211 2.779 306 H GLY 35 H GLY 35 3.491 -9.073 -1.291 307 HA2 GLY 35 1HA GLY 35 2.418 -11.307 -1.363 308 HA3 GLY 35 2HA GLY 35 1.991 -11.052 0.318 309 H LEU 36 H LEU 36 1.711 -8.428 -1.993 310 HA LEU 36 HA LEU 36 -1.179 -8.543 -1.553 311 HB2 LEU 36 1HB LEU 36 0.455 -6.318 -2.770 312 HB3 LEU 36 2HB LEU 36 -1.255 -6.259 -2.382 313 HG LEU 36 HG LEU 36 1.027 -6.443 -0.425 314 HD11 LEU 36 1HD1 LEU 36 -1.032 -4.308 -0.977 315 HD12 LEU 36 2HD1 LEU 36 0.693 -4.222 -1.336 316 HD13 LEU 36 3HD1 LEU 36 0.141 -4.275 0.338 317 HD21 LEU 36 3HD2 LEU 36 -1.943 -6.451 0.100 318 HD22 LEU 36 1HD2 LEU 36 -0.675 -6.373 1.322 319 HD23 LEU 36 2HD2 LEU 36 -0.849 -7.817 0.325 320 H ASN 37 H ASN 37 -2.599 -9.001 -3.082 321 HA ASN 37 HA ASN 37 -1.772 -9.332 -5.831 322 HB2 ASN 37 1HB ASN 37 -4.256 -9.766 -6.200 323 HB3 ASN 37 2HB ASN 37 -3.427 -10.896 -5.141 324 HD21 ASN 37 1HD2 ASN 37 -4.319 -7.691 -4.064 325 HD22 ASN 37 2HD2 ASN 37 -5.578 -8.204 -2.989 326 H GLU 38 H GLU 38 -2.965 -8.163 -7.561 327 HA GLU 38 HA GLU 38 -2.350 -5.465 -7.392 328 HB2 GLU 38 1HB GLU 38 -4.130 -6.962 -9.309 329 HB3 GLU 38 2HB GLU 38 -3.637 -5.288 -9.543 330 HG2 GLU 38 1HG GLU 38 -1.407 -5.854 -9.864 331 HG3 GLU 38 2HG GLU 38 -1.600 -7.438 -9.115 332 H GLU 39 H GLU 39 -5.421 -7.067 -6.788 333 HA GLU 39 HA GLU 39 -7.142 -4.880 -6.761 334 HB2 GLU 39 1HB GLU 39 -7.936 -7.173 -6.591 335 HB3 GLU 39 2HB GLU 39 -7.137 -7.361 -5.035 336 HG2 GLU 39 1HG GLU 39 -9.470 -7.051 -4.653 337 HG3 GLU 39 2HG GLU 39 -8.623 -5.599 -4.122 338 H ALA 40 H ALA 40 -5.401 -6.341 -4.033 339 HA ALA 40 HA ALA 40 -6.306 -4.511 -2.104 340 HB1 ALA 40 3HB ALA 40 -5.406 -6.755 -1.590 341 HB2 ALA 40 1HB ALA 40 -4.685 -5.472 -0.617 342 HB3 ALA 40 2HB ALA 40 -3.791 -6.160 -1.975 343 H ILE 41 H ILE 41 -3.726 -4.296 -4.403 344 HA ILE 41 HA ILE 41 -2.124 -2.386 -3.070 345 HB ILE 41 HB ILE 41 -2.445 -2.762 -6.051 346 HG12 ILE 41 1HG1 ILE 41 -0.593 -4.104 -4.070 347 HG13 ILE 41 2HG1 ILE 41 -1.915 -4.875 -4.942 348 HG21 ILE 41 1HG2 ILE 41 -0.166 -1.846 -6.166 349 HG22 ILE 41 2HG2 ILE 41 -0.194 -1.581 -4.423 350 HG23 ILE 41 3HG2 ILE 41 -1.302 -0.692 -5.464 351 HD11 ILE 41 3HD1 ILE 41 0.582 -3.729 -6.165 352 HD12 ILE 41 1HD1 ILE 41 -0.743 -4.488 -7.045 353 HD13 ILE 41 2HD1 ILE 41 0.224 -5.438 -5.916 354 H ARG 42 H ARG 42 -4.650 -2.025 -5.551 355 HA ARG 42 HA ARG 42 -4.754 0.829 -5.243 356 HB2 ARG 42 1HB ARG 42 -6.400 -1.178 -6.749 357 HB3 ARG 42 2HB ARG 42 -6.932 0.491 -6.604 358 HG2 ARG 42 1HG ARG 42 -5.006 1.294 -7.708 359 HG3 ARG 42 2HG ARG 42 -4.240 -0.294 -7.672 360 HD2 ARG 42 1HD ARG 42 -5.980 -1.161 -9.156 361 HD3 ARG 42 2HD ARG 42 -6.748 0.428 -9.186 362 HE ARG 42 HE ARG 42 -4.750 1.270 -10.301 363 HH11 ARG 42 1HH1 ARG 42 -5.299 -2.187 -10.300 364 HH12 ARG 42 2HH1 ARG 42 -4.197 -2.497 -11.609 365 HH21 ARG 42 1HH2 ARG 42 -3.331 0.886 -12.052 366 HH22 ARG 42 2HH2 ARG 42 -3.094 -0.743 -12.624 367 H GLN 43 H GLN 43 -6.372 -1.921 -3.888 368 HA GLN 43 HA GLN 43 -8.564 -0.622 -2.698 369 HB2 GLN 43 1HB GLN 43 -8.188 -3.119 -2.957 370 HB3 GLN 43 2HB GLN 43 -7.113 -3.012 -1.567 371 HG2 GLN 43 1HG GLN 43 -8.918 -2.275 -0.160 372 HG3 GLN 43 2HG GLN 43 -10.011 -2.198 -1.540 373 HE21 GLN 43 1HE2 GLN 43 -8.407 -4.257 0.734 374 HE22 GLN 43 2HE2 GLN 43 -9.267 -5.708 0.339 375 H PHE 44 H PHE 44 -5.206 -0.834 -1.820 376 HA PHE 44 HA PHE 44 -5.648 0.299 0.805 377 HB2 PHE 44 1HB PHE 44 -3.796 -1.310 0.407 378 HB3 PHE 44 2HB PHE 44 -3.051 -0.147 -0.683 379 HD1 PHE 44 HD1 PHE 44 -3.878 -0.882 2.814 380 HD2 PHE 44 HD2 PHE 44 -1.877 1.761 0.148 381 HE1 PHE 44 HE1 PHE 44 -2.715 0.147 4.716 382 HE2 PHE 44 HE2 PHE 44 -0.704 2.795 2.050 383 HZ PHE 44 HZ PHE 44 -1.123 1.986 4.337 384 H PHE 45 H PHE 45 -4.184 1.319 -2.273 385 HA PHE 45 HA PHE 45 -3.526 3.912 -1.316 386 HB2 PHE 45 1HB PHE 45 -3.353 2.472 -3.884 387 HB3 PHE 45 2HB PHE 45 -3.462 4.224 -4.002 388 HD1 PHE 45 HD1 PHE 45 -1.737 2.017 -1.541 389 HD2 PHE 45 HD2 PHE 45 -1.382 5.025 -4.531 390 HE1 PHE 45 HE1 PHE 45 0.668 2.200 -1.070 391 HE2 PHE 45 HE2 PHE 45 1.024 5.215 -4.063 392 HZ PHE 45 HZ PHE 45 2.054 3.799 -2.339 393 H GLU 46 H GLU 46 -5.882 2.982 -3.834 394 HA GLU 46 HA GLU 46 -6.886 5.681 -3.829 395 HB2 GLU 46 1HB GLU 46 -7.615 3.267 -5.485 396 HB3 GLU 46 2HB GLU 46 -8.314 4.869 -5.707 397 HG2 GLU 46 1HG GLU 46 -6.079 5.769 -6.156 398 HG3 GLU 46 2HG GLU 46 -5.400 4.154 -5.966 399 H GLU 47 H GLU 47 -7.644 2.884 -2.119 400 HA GLU 47 HA GLU 47 -10.309 3.985 -1.516 401 HB2 GLU 47 1HB GLU 47 -9.376 1.113 -1.350 402 HB3 GLU 47 2HB GLU 47 -10.940 1.687 -0.785 403 HG2 GLU 47 1HG GLU 47 -11.440 2.441 -3.087 404 HG3 GLU 47 2HG GLU 47 -9.920 1.725 -3.614 405 H PHE 48 H PHE 48 -7.678 4.674 -0.413 406 HA PHE 48 HA PHE 48 -7.521 3.580 2.232 407 HB2 PHE 48 1HB PHE 48 -5.634 4.628 0.765 408 HB3 PHE 48 2HB PHE 48 -6.233 6.161 1.379 409 HD1 PHE 48 HD1 PHE 48 -5.658 2.844 3.012 410 HD2 PHE 48 HD2 PHE 48 -4.736 7.000 2.902 411 HE1 PHE 48 HE1 PHE 48 -4.244 2.581 5.005 412 HE2 PHE 48 HE2 PHE 48 -3.319 6.738 4.898 413 HZ PHE 48 HZ PHE 48 -3.076 4.529 5.951 414 H GLU 49 H GLU 49 -7.430 5.192 4.115 415 HA GLU 49 HA GLU 49 -10.041 6.244 4.458 416 HB2 GLU 49 1HB GLU 49 -9.225 6.956 6.674 417 HB3 GLU 49 2HB GLU 49 -8.840 5.277 6.324 418 HG2 GLU 49 1HG GLU 49 -6.546 5.984 5.701 419 HG3 GLU 49 2HG GLU 49 -6.957 7.626 6.192 420 H GLN 50 H GLN 50 -7.490 7.539 2.846 421 HA GLN 50 HA GLN 50 -7.895 10.304 3.666 422 HB2 GLN 50 1HB GLN 50 -6.079 9.103 1.567 423 HB3 GLN 50 2HB GLN 50 -6.100 10.795 2.043 424 HG2 GLN 50 1HG GLN 50 -5.363 10.221 4.267 425 HG3 GLN 50 2HG GLN 50 -5.455 8.503 3.884 426 HE21 GLN 50 1HE2 GLN 50 -4.399 8.935 1.182 427 HE22 GLN 50 2HE2 GLN 50 -2.699 9.185 1.372 428 H ARG 51 H ARG 51 -9.322 8.154 1.541 429 HA ARG 51 HA ARG 51 -9.763 9.860 -0.671 430 HB2 ARG 51 1HB ARG 51 -9.818 7.399 -0.827 431 HB3 ARG 51 2HB ARG 51 -11.250 7.376 0.196 432 HG2 ARG 51 1HG ARG 51 -12.482 8.616 -1.458 433 HG3 ARG 51 2HG ARG 51 -11.047 8.719 -2.473 434 HD2 ARG 51 1HD ARG 51 -11.017 6.244 -2.602 435 HD3 ARG 51 2HD ARG 51 -12.528 6.211 -1.693 436 HE ARG 51 HE ARG 51 -13.261 7.742 -3.709 437 HH11 ARG 51 1HH1 ARG 51 -11.262 4.876 -3.802 438 HH12 ARG 51 2HH1 ARG 51 -11.786 4.395 -5.386 439 HH21 ARG 51 1HH2 ARG 51 -13.935 7.146 -5.800 440 HH22 ARG 51 2HH2 ARG 51 -13.338 5.675 -6.514 441 H LYS 52 H LYS 52 -11.206 11.403 -0.885 442 HA LYS 52 HA LYS 52 -13.103 11.888 1.268 443 HB2 LYS 52 1HB LYS 52 -13.447 14.052 -0.162 444 HB3 LYS 52 2HB LYS 52 -11.992 13.867 0.807 445 HG2 LYS 52 1HG LYS 52 -10.650 13.475 -1.041 446 HG3 LYS 52 2HG LYS 52 -12.015 13.011 -2.058 447 HD2 LYS 52 1HD LYS 52 -11.850 15.793 -0.975 448 HD3 LYS 52 2HD LYS 52 -10.869 15.341 -2.370 449 HE2 LYS 52 1HE LYS 52 -12.995 16.348 -3.048 450 HE3 LYS 52 2HE LYS 52 -12.868 14.677 -3.586 451 HZ1 LYS 52 3HZ LYS 52 -14.329 15.537 -1.150 452 HZ2 LYS 52 1HZ LYS 52 -14.318 13.984 -1.837 453 HZ3 LYS 52 2HZ LYS 52 -15.065 15.274 -2.652 Start of MODEL 30 1 H1 MET 1 1H MET 1 -6.041 -7.121 8.321 2 H2 MET 1 2H MET 1 -7.581 -6.974 7.625 3 H3 MET 1 3H MET 1 -6.190 -6.742 6.679 4 HA MET 1 HA MET 1 -5.571 -9.012 6.876 5 HB2 MET 1 1HB MET 1 -8.054 -9.259 8.599 6 HB3 MET 1 2HB MET 1 -7.093 -10.614 8.032 7 HG2 MET 1 1HG MET 1 -6.513 -10.205 10.285 8 HG3 MET 1 2HG MET 1 -5.158 -9.678 9.287 9 HE1 MET 1 3HE MET 1 -8.605 -7.889 10.016 10 HE2 MET 1 1HE MET 1 -8.156 -6.836 11.358 11 HE3 MET 1 2HE MET 1 -8.154 -8.588 11.570 12 H LYS 2 H LYS 2 -6.643 -10.807 5.633 13 HA LYS 2 HA LYS 2 -8.070 -11.716 4.076 14 HB2 LYS 2 1HB LYS 2 -10.077 -9.854 5.371 15 HB3 LYS 2 2HB LYS 2 -10.461 -11.260 4.384 16 HG2 LYS 2 1HG LYS 2 -10.111 -12.693 6.070 17 HG3 LYS 2 2HG LYS 2 -8.677 -11.833 6.632 18 HD2 LYS 2 1HD LYS 2 -10.285 -11.676 8.366 19 HD3 LYS 2 2HD LYS 2 -10.224 -10.095 7.589 20 HE2 LYS 2 1HE LYS 2 -12.509 -10.676 8.005 21 HE3 LYS 2 2HE LYS 2 -12.220 -10.725 6.265 22 HZ1 LYS 2 3HZ LYS 2 -13.516 -12.630 7.001 23 HZ2 LYS 2 1HZ LYS 2 -12.286 -13.084 8.075 24 HZ3 LYS 2 2HZ LYS 2 -12.017 -13.132 6.398 25 H GLN 3 H GLN 3 -6.594 -9.237 3.418 26 HA GLN 3 HA GLN 3 -7.976 -8.644 0.928 27 HB2 GLN 3 1HB GLN 3 -7.544 -6.659 3.104 28 HB3 GLN 3 2HB GLN 3 -7.244 -6.121 1.456 29 HG2 GLN 3 1HG GLN 3 -9.491 -6.627 0.820 30 HG3 GLN 3 2HG GLN 3 -9.809 -7.397 2.373 31 HE21 GLN 3 1HE2 GLN 3 -7.956 -4.466 2.083 32 HE22 GLN 3 2HE2 GLN 3 -9.124 -3.416 2.805 33 H TRP 4 H TRP 4 -5.231 -7.529 2.892 34 HA TRP 4 HA TRP 4 -3.435 -8.667 0.899 35 HB2 TRP 4 1HB TRP 4 -1.867 -6.679 1.301 36 HB3 TRP 4 2HB TRP 4 -3.245 -6.411 0.251 37 HD1 TRP 4 HD1 TRP 4 -5.218 -5.963 2.957 38 HE1 TRP 4 HE1 TRP 4 -5.163 -3.619 4.019 39 HE3 TRP 4 HE3 TRP 4 -0.788 -4.319 1.026 40 HZ2 TRP 4 HZ2 TRP 4 -3.471 -1.380 4.022 41 HZ3 TRP 4 HZ3 TRP 4 -0.029 -2.060 1.596 42 HH2 TRP 4 HH2 TRP 4 -1.345 -0.616 3.064 43 H SER 5 H SER 5 -1.143 -8.808 1.871 44 HA SER 5 HA SER 5 -1.324 -10.542 4.008 45 HB2 SER 5 1HB SER 5 1.159 -8.995 3.253 46 HB3 SER 5 2HB SER 5 1.072 -10.583 4.018 47 HG SER 5 HG SER 5 -0.011 -11.290 2.052 48 H GLU 6 H GLU 6 -1.328 -10.375 6.114 49 HA GLU 6 HA GLU 6 -2.290 -8.173 7.408 50 HB2 GLU 6 1HB GLU 6 -2.418 -10.479 8.216 51 HB3 GLU 6 2HB GLU 6 -0.701 -10.456 8.579 52 HG2 GLU 6 1HG GLU 6 -1.070 -8.745 10.265 53 HG3 GLU 6 2HG GLU 6 -2.794 -8.733 9.885 54 H ASN 7 H ASN 7 1.121 -9.186 7.289 55 HA ASN 7 HA ASN 7 1.978 -7.070 9.008 56 HB2 ASN 7 1HB ASN 7 3.418 -9.022 7.261 57 HB3 ASN 7 2HB ASN 7 4.286 -7.737 8.094 58 HD21 ASN 7 1HD2 ASN 7 2.500 -7.799 10.405 59 HD22 ASN 7 2HD2 ASN 7 2.938 -9.217 11.294 60 H VAL 8 H VAL 8 1.514 -7.414 5.607 61 HA VAL 8 HA VAL 8 3.156 -5.240 4.794 62 HB VAL 8 HB VAL 8 0.769 -6.442 3.382 63 HG11 VAL 8 1HG1 VAL 8 1.666 -5.477 1.379 64 HG12 VAL 8 2HG1 VAL 8 3.069 -4.864 2.250 65 HG13 VAL 8 3HG1 VAL 8 1.466 -4.199 2.579 66 HG21 VAL 8 3HG2 VAL 8 2.419 -8.143 3.841 67 HG22 VAL 8 1HG2 VAL 8 3.703 -7.113 3.209 68 HG23 VAL 8 2HG2 VAL 8 2.458 -7.731 2.128 69 H GLU 9 H GLU 9 -0.185 -5.624 5.744 70 HA GLU 9 HA GLU 9 -1.294 -3.217 5.007 71 HB2 GLU 9 1HB GLU 9 -1.740 -4.747 7.580 72 HB3 GLU 9 2HB GLU 9 -2.836 -3.538 6.912 73 HG2 GLU 9 1HG GLU 9 -3.086 -4.989 4.901 74 HG3 GLU 9 2HG GLU 9 -2.133 -6.217 5.735 75 H GLU 10 H GLU 10 0.411 -3.972 8.008 76 HA GLU 10 HA GLU 10 0.332 -1.362 9.087 77 HB2 GLU 10 1HB GLU 10 0.723 -2.990 10.675 78 HB3 GLU 10 2HB GLU 10 1.837 -3.879 9.646 79 HG2 GLU 10 1HG GLU 10 3.532 -2.160 9.986 80 HG3 GLU 10 2HG GLU 10 2.417 -1.268 11.027 81 H LYS 11 H LYS 11 2.859 -3.145 7.372 82 HA LYS 11 HA LYS 11 4.820 -1.150 7.759 83 HB2 LYS 11 1HB LYS 11 5.229 -3.570 7.459 84 HB3 LYS 11 2HB LYS 11 4.800 -3.404 5.761 85 HG2 LYS 11 1HG LYS 11 6.676 -1.956 5.376 86 HG3 LYS 11 2HG LYS 11 7.060 -1.934 7.097 87 HD2 LYS 11 1HD LYS 11 7.113 -4.377 5.323 88 HD3 LYS 11 2HD LYS 11 8.528 -3.464 5.850 89 HE2 LYS 11 1HE LYS 11 7.971 -3.975 8.185 90 HE3 LYS 11 2HE LYS 11 6.581 -4.915 7.642 91 HZ1 LYS 11 3HZ LYS 11 8.055 -6.429 6.516 92 HZ2 LYS 11 1HZ LYS 11 8.509 -6.305 8.144 93 HZ3 LYS 11 2HZ LYS 11 9.410 -5.504 6.951 94 H LEU 12 H LEU 12 2.720 -1.929 5.000 95 HA LEU 12 HA LEU 12 3.872 -0.113 3.164 96 HB2 LEU 12 1HB LEU 12 1.606 -1.846 3.276 97 HB3 LEU 12 2HB LEU 12 1.066 -0.274 2.727 98 HG LEU 12 HG LEU 12 1.603 -1.808 0.879 99 HD11 LEU 12 1HD1 LEU 12 1.772 0.599 0.555 100 HD12 LEU 12 2HD1 LEU 12 2.952 -0.280 -0.418 101 HD13 LEU 12 3HD1 LEU 12 3.463 0.543 1.055 102 HD21 LEU 12 3HD2 LEU 12 4.504 -1.529 1.434 103 HD22 LEU 12 1HD2 LEU 12 3.637 -2.760 0.521 104 HD23 LEU 12 2HD2 LEU 12 3.592 -2.772 2.287 105 H LYS 13 H LYS 13 1.220 0.190 5.455 106 HA LYS 13 HA LYS 13 0.326 2.747 5.027 107 HB2 LYS 13 1HB LYS 13 -0.780 1.460 6.650 108 HB3 LYS 13 2HB LYS 13 0.707 1.109 7.513 109 HG2 LYS 13 1HG LYS 13 0.755 3.624 8.034 110 HG3 LYS 13 2HG LYS 13 -0.943 3.603 7.545 111 HD2 LYS 13 1HD LYS 13 -1.466 1.960 9.217 112 HD3 LYS 13 2HD LYS 13 0.237 1.772 9.630 113 HE2 LYS 13 1HE LYS 13 0.271 4.139 10.368 114 HE3 LYS 13 2HE LYS 13 -1.463 4.226 10.050 115 HZ1 LYS 13 3HZ LYS 13 -1.121 3.799 12.357 116 HZ2 LYS 13 1HZ LYS 13 -0.096 2.489 12.029 117 HZ3 LYS 13 2HZ LYS 13 -1.746 2.388 11.657 118 H GLU 14 H GLU 14 3.032 1.770 7.090 119 HA GLU 14 HA GLU 14 3.637 4.514 7.715 120 HB2 GLU 14 1HB GLU 14 5.069 1.973 8.489 121 HB3 GLU 14 2HB GLU 14 5.324 3.565 9.199 122 HG2 GLU 14 1HG GLU 14 2.998 3.583 9.970 123 HG3 GLU 14 2HG GLU 14 2.769 1.973 9.290 124 H PHE 15 H PHE 15 4.683 2.209 5.399 125 HA PHE 15 HA PHE 15 7.275 3.338 4.940 126 HB2 PHE 15 1HB PHE 15 6.642 0.967 4.473 127 HB3 PHE 15 2HB PHE 15 5.606 1.539 3.177 128 HD1 PHE 15 HD1 PHE 15 9.105 2.276 4.232 129 HD2 PHE 15 HD2 PHE 15 6.484 1.024 1.128 130 HE1 PHE 15 HE1 PHE 15 11.014 2.131 2.689 131 HE2 PHE 15 HE2 PHE 15 8.388 0.867 -0.420 132 HZ PHE 15 HZ PHE 15 10.655 1.426 0.356 133 H VAL 16 H VAL 16 4.062 4.060 3.943 134 HA VAL 16 HA VAL 16 5.034 5.809 1.817 135 HB VAL 16 HB VAL 16 2.203 5.188 2.668 136 HG11 VAL 16 1HG1 VAL 16 3.207 6.768 0.300 137 HG12 VAL 16 2HG1 VAL 16 2.364 7.425 1.703 138 HG13 VAL 16 3HG1 VAL 16 1.528 6.324 0.608 139 HG21 VAL 16 3HG2 VAL 16 3.847 4.267 0.315 140 HG22 VAL 16 1HG2 VAL 16 2.123 3.962 0.524 141 HG23 VAL 16 2HG2 VAL 16 3.283 3.283 1.663 142 H LYS 17 H LYS 17 3.373 5.977 4.943 143 HA LYS 17 HA LYS 17 3.133 8.851 4.752 144 HB2 LYS 17 1HB LYS 17 2.477 7.024 7.065 145 HB3 LYS 17 2HB LYS 17 2.025 8.717 6.929 146 HG2 LYS 17 1HG LYS 17 1.087 6.483 5.143 147 HG3 LYS 17 2HG LYS 17 0.154 7.245 6.427 148 HD2 LYS 17 1HD LYS 17 1.214 8.666 3.984 149 HD3 LYS 17 2HD LYS 17 -0.440 8.090 4.182 150 HE2 LYS 17 1HE LYS 17 0.875 10.048 6.061 151 HE3 LYS 17 2HE LYS 17 -0.079 10.534 4.662 152 HZ1 LYS 17 3HZ LYS 17 -1.300 10.458 6.825 153 HZ2 LYS 17 1HZ LYS 17 -1.140 8.772 6.799 154 HZ3 LYS 17 2HZ LYS 17 -2.011 9.564 5.573 155 H ARG 18 H ARG 18 4.863 6.600 6.908 156 HA ARG 18 HA ARG 18 6.079 8.859 8.268 157 HB2 ARG 18 1HB ARG 18 6.469 5.908 8.792 158 HB3 ARG 18 2HB ARG 18 6.893 7.236 9.866 159 HG2 ARG 18 1HG ARG 18 4.546 7.805 10.126 160 HG3 ARG 18 2HG ARG 18 4.097 6.519 9.008 161 HD2 ARG 18 1HD ARG 18 3.749 5.490 11.026 162 HD3 ARG 18 2HD ARG 18 5.410 5.006 10.682 163 HE ARG 18 HE ARG 18 5.643 7.327 12.126 164 HH11 ARG 18 1HH1 ARG 18 4.340 4.116 12.638 165 HH12 ARG 18 2HH1 ARG 18 4.328 4.262 14.371 166 HH21 ARG 18 1HH2 ARG 18 5.676 7.496 14.418 167 HH22 ARG 18 2HH2 ARG 18 5.093 6.170 15.379 168 H HIS 19 H HIS 19 6.779 6.973 5.619 169 HA HIS 19 HA HIS 19 9.667 7.329 5.924 170 HB2 HIS 19 1HB HIS 19 7.992 5.548 4.202 171 HB3 HIS 19 2HB HIS 19 9.616 5.975 3.673 172 HD1 HIS 19 HD1 HIS 19 11.315 4.310 4.361 173 HD2 HIS 19 HD2 HIS 19 8.124 4.491 7.026 174 HE1 HIS 19 HE1 HIS 19 11.760 2.554 6.130 175 H GLN 20 H GLN 20 9.900 7.188 2.928 176 HA GLN 20 HA GLN 20 9.955 10.074 2.632 177 HB2 GLN 20 1HB GLN 20 11.028 7.884 0.847 178 HB3 GLN 20 2HB GLN 20 11.338 9.606 0.657 179 HG2 GLN 20 1HG GLN 20 12.170 7.899 2.992 180 HG3 GLN 20 2HG GLN 20 13.219 8.498 1.706 181 HE21 GLN 20 1HE2 GLN 20 11.890 11.094 1.605 182 HE22 GLN 20 2HE2 GLN 20 12.413 11.958 3.012 183 H ARG 21 H ARG 21 7.466 8.233 2.268 184 HA ARG 21 HA ARG 21 5.593 8.166 0.984 185 HB2 ARG 21 1HB ARG 21 5.659 10.614 1.250 186 HB3 ARG 21 2HB ARG 21 6.712 10.745 -0.145 187 HG2 ARG 21 1HG ARG 21 4.686 11.296 -1.053 188 HG3 ARG 21 2HG ARG 21 4.757 9.567 -1.396 189 HD2 ARG 21 1HD ARG 21 2.592 9.966 -0.558 190 HD3 ARG 21 2HD ARG 21 3.496 9.223 0.760 191 HE ARG 21 HE ARG 21 3.788 11.911 1.153 192 HH11 ARG 21 1HH1 ARG 21 1.035 9.769 0.824 193 HH12 ARG 21 2HH1 ARG 21 0.008 10.720 1.847 194 HH21 ARG 21 1HH2 ARG 21 2.429 13.184 2.479 195 HH22 ARG 21 2HH2 ARG 21 0.796 12.662 2.788 196 H ILE 22 H ILE 22 6.275 6.281 -0.097 197 HA ILE 22 HA ILE 22 7.847 6.480 -2.503 198 HB ILE 22 HB ILE 22 8.015 4.523 -0.948 199 HG12 ILE 22 1HG1 ILE 22 7.246 3.811 -3.784 200 HG13 ILE 22 2HG1 ILE 22 8.807 4.466 -3.300 201 HG21 ILE 22 1HG2 ILE 22 6.294 2.692 -1.379 202 HG22 ILE 22 2HG2 ILE 22 5.251 3.979 -1.985 203 HG23 ILE 22 3HG2 ILE 22 5.821 4.010 -0.316 204 HD11 ILE 22 3HD1 ILE 22 8.914 2.067 -3.609 205 HD12 ILE 22 1HD1 ILE 22 7.640 1.844 -2.411 206 HD13 ILE 22 2HD1 ILE 22 9.204 2.500 -1.923 207 H THR 23 H THR 23 7.183 6.164 -4.602 208 HA THR 23 HA THR 23 4.365 6.700 -5.091 209 HB THR 23 HB THR 23 5.178 6.944 -7.495 210 HG1 THR 23 HG1 THR 23 7.230 6.598 -7.906 211 HG21 THR 23 3HG2 THR 23 4.744 8.868 -6.058 212 HG22 THR 23 1HG2 THR 23 6.159 9.158 -7.074 213 HG23 THR 23 2HG2 THR 23 6.365 8.736 -5.374 214 H GLN 24 H GLN 24 3.450 5.638 -7.125 215 HA GLN 24 HA GLN 24 2.910 2.985 -6.531 216 HB2 GLN 24 1HB GLN 24 1.427 4.424 -7.834 217 HB3 GLN 24 2HB GLN 24 2.574 4.427 -9.164 218 HG2 GLN 24 1HG GLN 24 2.227 2.060 -9.512 219 HG3 GLN 24 2HG GLN 24 1.155 1.989 -8.113 220 HE21 GLN 24 1HE2 GLN 24 0.647 1.339 -10.930 221 HE22 GLN 24 2HE2 GLN 24 -0.694 2.337 -11.398 222 H GLU 25 H GLU 25 5.360 4.307 -8.647 223 HA GLU 25 HA GLU 25 6.079 2.227 -10.261 224 HB2 GLU 25 1HB GLU 25 7.114 4.552 -10.037 225 HB3 GLU 25 2HB GLU 25 8.097 3.886 -8.748 226 HG2 GLU 25 1HG GLU 25 8.088 2.834 -11.566 227 HG3 GLU 25 2HG GLU 25 9.218 4.042 -10.964 228 H GLU 26 H GLU 26 7.780 2.821 -7.184 229 HA GLU 26 HA GLU 26 8.731 0.095 -7.214 230 HB2 GLU 26 1HB GLU 26 10.131 2.106 -6.587 231 HB3 GLU 26 2HB GLU 26 9.208 2.185 -5.092 232 HG2 GLU 26 1HG GLU 26 9.955 -0.049 -4.498 233 HG3 GLU 26 2HG GLU 26 10.861 -0.155 -6.006 234 H LEU 27 H LEU 27 6.159 1.856 -5.796 235 HA LEU 27 HA LEU 27 5.733 0.264 -3.495 236 HB2 LEU 27 1HB LEU 27 4.702 2.511 -3.958 237 HB3 LEU 27 2HB LEU 27 3.642 1.730 -5.111 238 HG LEU 27 HG LEU 27 3.679 0.827 -2.245 239 HD11 LEU 27 1HD1 LEU 27 1.832 2.405 -1.820 240 HD12 LEU 27 2HD1 LEU 27 2.136 3.148 -3.391 241 HD13 LEU 27 3HD1 LEU 27 3.367 3.217 -2.129 242 HD21 LEU 27 3HD2 LEU 27 1.330 0.259 -2.762 243 HD22 LEU 27 1HD2 LEU 27 2.468 -0.567 -3.830 244 HD23 LEU 27 2HD2 LEU 27 1.574 0.838 -4.411 245 H HIS 28 H HIS 28 4.598 0.026 -6.847 246 HA HIS 28 HA HIS 28 2.925 -2.228 -6.360 247 HB2 HIS 28 1HB HIS 28 2.765 -0.646 -8.346 248 HB3 HIS 28 2HB HIS 28 4.154 -1.495 -9.019 249 HD1 HIS 28 HD1 HIS 28 3.596 -4.353 -8.847 250 HD2 HIS 28 HD2 HIS 28 0.514 -1.624 -9.410 251 HE1 HIS 28 HE1 HIS 28 1.646 -5.670 -9.739 252 H GLN 29 H GLN 29 6.261 -1.834 -7.499 253 HA GLN 29 HA GLN 29 6.834 -4.549 -7.924 254 HB2 GLN 29 1HB GLN 29 8.307 -2.591 -8.523 255 HB3 GLN 29 2HB GLN 29 8.729 -2.459 -6.825 256 HG2 GLN 29 1HG GLN 29 9.182 -4.998 -8.345 257 HG3 GLN 29 2HG GLN 29 10.341 -3.675 -8.397 258 HE21 GLN 29 1HE2 GLN 29 10.584 -6.399 -7.349 259 HE22 GLN 29 2HE2 GLN 29 11.070 -6.222 -5.696 260 H TYR 30 H TYR 30 6.871 -2.551 -5.041 261 HA TYR 30 HA TYR 30 7.903 -4.522 -3.277 262 HB2 TYR 30 1HB TYR 30 7.804 -1.936 -3.042 263 HB3 TYR 30 2HB TYR 30 6.176 -2.209 -2.437 264 HD1 TYR 30 HD1 TYR 30 9.343 -4.091 -1.854 265 HD2 TYR 30 HD2 TYR 30 6.221 -1.750 -0.164 266 HE1 TYR 30 HE1 TYR 30 10.291 -4.456 0.385 267 HE2 TYR 30 HE2 TYR 30 7.155 -2.115 2.083 268 HH TYR 30 HH TYR 30 8.613 -3.753 3.234 269 H ALA 31 H ALA 31 4.763 -3.883 -4.583 270 HA ALA 31 HA ALA 31 3.181 -4.990 -2.515 271 HB1 ALA 31 3HB ALA 31 2.237 -3.545 -4.245 272 HB2 ALA 31 1HB ALA 31 1.405 -5.100 -4.202 273 HB3 ALA 31 2HB ALA 31 2.586 -4.765 -5.468 274 H GLN 32 H GLN 32 4.296 -6.357 -5.613 275 HA GLN 32 HA GLN 32 3.409 -8.987 -4.859 276 HB2 GLN 32 1HB GLN 32 4.995 -7.989 -7.215 277 HB3 GLN 32 2HB GLN 32 4.557 -9.678 -6.982 278 HG2 GLN 32 1HG GLN 32 2.181 -9.028 -6.948 279 HG3 GLN 32 2HG GLN 32 2.659 -7.364 -7.280 280 HE21 GLN 32 1HE2 GLN 32 1.444 -7.400 -9.188 281 HE22 GLN 32 2HE2 GLN 32 2.002 -8.216 -10.609 282 H ARG 33 H ARG 33 6.135 -7.120 -4.261 283 HA ARG 33 HA ARG 33 8.052 -9.194 -3.888 284 HB2 ARG 33 1HB ARG 33 8.536 -6.722 -4.148 285 HB3 ARG 33 2HB ARG 33 7.912 -6.487 -2.529 286 HG2 ARG 33 1HG ARG 33 10.236 -8.306 -3.093 287 HG3 ARG 33 2HG ARG 33 10.432 -6.577 -2.817 288 HD2 ARG 33 1HD ARG 33 9.164 -6.931 -0.649 289 HD3 ARG 33 2HD ARG 33 9.381 -8.657 -0.918 290 HE ARG 33 HE ARG 33 11.691 -6.827 -0.772 291 HH11 ARG 33 1HH1 ARG 33 10.000 -9.717 0.269 292 HH12 ARG 33 2HH1 ARG 33 11.246 -10.201 1.373 293 HH21 ARG 33 1HH2 ARG 33 13.333 -7.463 0.709 294 HH22 ARG 33 2HH2 ARG 33 13.138 -8.939 1.615 295 H LEU 34 H LEU 34 5.510 -7.745 -1.947 296 HA LEU 34 HA LEU 34 6.337 -9.337 0.368 297 HB2 LEU 34 1HB LEU 34 4.368 -7.059 0.203 298 HB3 LEU 34 2HB LEU 34 4.814 -7.913 1.667 299 HG LEU 34 HG LEU 34 6.621 -6.180 -0.018 300 HD11 LEU 34 1HD1 LEU 34 6.661 -4.718 1.878 301 HD12 LEU 34 2HD1 LEU 34 5.687 -5.841 2.823 302 HD13 LEU 34 3HD1 LEU 34 4.982 -5.020 1.431 303 HD21 LEU 34 3HD2 LEU 34 7.857 -8.093 0.849 304 HD22 LEU 34 1HD2 LEU 34 7.252 -7.760 2.473 305 HD23 LEU 34 2HD2 LEU 34 8.330 -6.611 1.680 306 H GLY 35 H GLY 35 3.757 -9.074 -1.984 307 HA2 GLY 35 1HA GLY 35 2.674 -11.292 -2.314 308 HA3 GLY 35 2HA GLY 35 2.468 -11.341 -0.583 309 H LEU 36 H LEU 36 1.842 -8.658 -2.844 310 HA LEU 36 HA LEU 36 -0.838 -8.533 -1.658 311 HB2 LEU 36 1HB LEU 36 0.618 -6.358 -3.150 312 HB3 LEU 36 2HB LEU 36 -0.874 -6.204 -2.243 313 HG LEU 36 HG LEU 36 1.886 -6.683 -1.127 314 HD11 LEU 36 1HD1 LEU 36 1.393 -4.385 -1.697 315 HD12 LEU 36 2HD1 LEU 36 1.408 -4.582 0.056 316 HD13 LEU 36 3HD1 LEU 36 -0.127 -4.461 -0.806 317 HD21 LEU 36 3HD2 LEU 36 -0.800 -6.823 0.237 318 HD22 LEU 36 1HD2 LEU 36 0.739 -6.675 1.087 319 HD23 LEU 36 2HD2 LEU 36 0.407 -8.101 0.107 320 H ASN 37 H ASN 37 -2.638 -8.514 -2.815 321 HA ASN 37 HA ASN 37 -2.502 -8.780 -5.721 322 HB2 ASN 37 1HB ASN 37 -5.023 -9.144 -5.450 323 HB3 ASN 37 2HB ASN 37 -3.971 -10.396 -4.807 324 HD21 ASN 37 1HD2 ASN 37 -4.460 -7.317 -3.148 325 HD22 ASN 37 2HD2 ASN 37 -5.367 -7.994 -1.825 326 H GLU 38 H GLU 38 -4.109 -7.442 -6.997 327 HA GLU 38 HA GLU 38 -3.445 -4.734 -6.402 328 HB2 GLU 38 1HB GLU 38 -3.701 -5.863 -8.716 329 HB3 GLU 38 2HB GLU 38 -5.415 -5.518 -8.528 330 HG2 GLU 38 1HG GLU 38 -4.831 -3.124 -8.187 331 HG3 GLU 38 2HG GLU 38 -3.156 -3.530 -8.563 332 H GLU 39 H GLU 39 -6.103 -6.682 -5.522 333 HA GLU 39 HA GLU 39 -8.222 -4.927 -5.323 334 HB2 GLU 39 1HB GLU 39 -8.385 -7.288 -4.723 335 HB3 GLU 39 2HB GLU 39 -7.326 -7.036 -3.344 336 HG2 GLU 39 1HG GLU 39 -9.576 -7.181 -2.563 337 HG3 GLU 39 2HG GLU 39 -9.023 -5.516 -2.377 338 H ALA 40 H ALA 40 -5.649 -5.508 -2.981 339 HA ALA 40 HA ALA 40 -6.478 -3.396 -1.249 340 HB1 ALA 40 3HB ALA 40 -5.365 -5.396 -0.408 341 HB2 ALA 40 1HB ALA 40 -4.471 -3.937 0.015 342 HB3 ALA 40 2HB ALA 40 -3.907 -4.963 -1.304 343 H ILE 41 H ILE 41 -4.087 -3.792 -3.787 344 HA ILE 41 HA ILE 41 -2.552 -1.507 -3.269 345 HB ILE 41 HB ILE 41 -3.083 -2.748 -5.971 346 HG12 ILE 41 1HG1 ILE 41 -0.877 -3.358 -3.988 347 HG13 ILE 41 2HG1 ILE 41 -2.264 -4.397 -4.297 348 HG21 ILE 41 1HG2 ILE 41 -2.052 -0.536 -6.087 349 HG22 ILE 41 2HG2 ILE 41 -0.918 -1.791 -6.589 350 HG23 ILE 41 3HG2 ILE 41 -0.778 -1.066 -4.986 351 HD11 ILE 41 3HD1 ILE 41 -1.529 -4.682 -6.611 352 HD12 ILE 41 1HD1 ILE 41 -0.292 -5.194 -5.460 353 HD13 ILE 41 2HD1 ILE 41 -0.138 -3.644 -6.288 354 H ARG 42 H ARG 42 -5.249 -2.029 -5.498 355 HA ARG 42 HA ARG 42 -5.523 0.587 -6.448 356 HB2 ARG 42 1HB ARG 42 -6.602 -1.143 -7.625 357 HB3 ARG 42 2HB ARG 42 -7.407 -1.742 -6.184 358 HG2 ARG 42 1HG ARG 42 -8.770 0.334 -6.167 359 HG3 ARG 42 2HG ARG 42 -8.019 0.773 -7.703 360 HD2 ARG 42 1HD ARG 42 -10.195 -0.311 -8.038 361 HD3 ARG 42 2HD ARG 42 -8.877 -1.254 -8.732 362 HE ARG 42 HE ARG 42 -10.124 -1.894 -6.125 363 HH11 ARG 42 1HH1 ARG 42 -8.777 -2.877 -9.208 364 HH12 ARG 42 2HH1 ARG 42 -9.023 -4.568 -8.925 365 HH21 ARG 42 1HH2 ARG 42 -10.454 -4.126 -5.742 366 HH22 ARG 42 2HH2 ARG 42 -9.981 -5.284 -6.952 367 H GLN 43 H GLN 43 -6.975 -1.035 -3.666 368 HA GLN 43 HA GLN 43 -8.787 1.047 -3.023 369 HB2 GLN 43 1HB GLN 43 -8.908 -1.371 -2.291 370 HB3 GLN 43 2HB GLN 43 -7.650 -0.999 -1.120 371 HG2 GLN 43 1HG GLN 43 -9.095 0.653 -0.068 372 HG3 GLN 43 2HG GLN 43 -10.357 0.307 -1.252 373 HE21 GLN 43 1HE2 GLN 43 -11.436 -1.677 -1.160 374 HE22 GLN 43 2HE2 GLN 43 -11.433 -2.647 0.274 375 H PHE 44 H PHE 44 -5.468 0.396 -2.189 376 HA PHE 44 HA PHE 44 -5.312 2.204 0.002 377 HB2 PHE 44 1HB PHE 44 -3.775 0.240 -0.446 378 HB3 PHE 44 2HB PHE 44 -3.015 1.216 -1.697 379 HD1 PHE 44 HD1 PHE 44 -1.629 3.137 -1.105 380 HD2 PHE 44 HD2 PHE 44 -3.448 0.719 1.889 381 HE1 PHE 44 HE1 PHE 44 -0.156 4.134 0.592 382 HE2 PHE 44 HE2 PHE 44 -1.971 1.707 3.590 383 HZ PHE 44 HZ PHE 44 -0.320 3.418 2.940 384 H PHE 45 H PHE 45 -5.002 2.561 -3.453 385 HA PHE 45 HA PHE 45 -3.915 5.250 -3.152 386 HB2 PHE 45 1HB PHE 45 -4.501 3.535 -5.557 387 HB3 PHE 45 2HB PHE 45 -4.083 5.238 -5.703 388 HD1 PHE 45 HD1 PHE 45 -1.933 5.818 -4.100 389 HD2 PHE 45 HD2 PHE 45 -2.782 2.101 -5.987 390 HE1 PHE 45 HE1 PHE 45 0.459 5.253 -4.051 391 HE2 PHE 45 HE2 PHE 45 -0.388 1.527 -5.937 392 HZ PHE 45 HZ PHE 45 1.232 3.105 -4.966 393 H GLU 46 H GLU 46 -6.794 3.692 -4.533 394 HA GLU 46 HA GLU 46 -7.937 6.116 -5.436 395 HB2 GLU 46 1HB GLU 46 -9.174 3.397 -5.007 396 HB3 GLU 46 2HB GLU 46 -9.976 4.734 -5.819 397 HG2 GLU 46 1HG GLU 46 -7.429 3.397 -6.710 398 HG3 GLU 46 2HG GLU 46 -9.026 3.152 -7.404 399 H GLU 47 H GLU 47 -8.955 3.995 -2.721 400 HA GLU 47 HA GLU 47 -10.739 6.144 -1.838 401 HB2 GLU 47 1HB GLU 47 -11.503 3.724 -2.112 402 HB3 GLU 47 2HB GLU 47 -10.556 3.365 -0.675 403 HG2 GLU 47 1HG GLU 47 -11.893 4.962 0.606 404 HG3 GLU 47 2HG GLU 47 -12.847 5.315 -0.833 405 H PHE 48 H PHE 48 -7.919 6.444 -1.503 406 HA PHE 48 HA PHE 48 -7.397 6.016 1.332 407 HB2 PHE 48 1HB PHE 48 -5.734 5.724 -0.648 408 HB3 PHE 48 2HB PHE 48 -5.603 7.475 -0.591 409 HD1 PHE 48 HD1 PHE 48 -5.733 4.848 2.067 410 HD2 PHE 48 HD2 PHE 48 -3.580 8.064 0.299 411 HE1 PHE 48 HE1 PHE 48 -4.001 4.636 3.799 412 HE2 PHE 48 HE2 PHE 48 -1.845 7.859 2.029 413 HZ PHE 48 HZ PHE 48 -2.054 6.142 3.782 414 H GLU 49 H GLU 49 -6.051 8.115 2.214 415 HA GLU 49 HA GLU 49 -7.858 10.177 2.731 416 HB2 GLU 49 1HB GLU 49 -5.876 11.433 3.553 417 HB3 GLU 49 2HB GLU 49 -5.937 9.783 4.161 418 HG2 GLU 49 1HG GLU 49 -4.320 9.126 2.400 419 HG3 GLU 49 2HG GLU 49 -4.211 10.816 1.917 420 H GLN 50 H GLN 50 -5.946 9.578 -0.008 421 HA GLN 50 HA GLN 50 -5.582 12.195 -1.006 422 HB2 GLN 50 1HB GLN 50 -5.759 9.569 -2.494 423 HB3 GLN 50 2HB GLN 50 -5.108 11.070 -3.138 424 HG2 GLN 50 1HG GLN 50 -3.332 11.018 -1.470 425 HG3 GLN 50 2HG GLN 50 -3.985 9.517 -0.819 426 HE21 GLN 50 1HE2 GLN 50 -4.675 8.483 -3.468 427 HE22 GLN 50 2HE2 GLN 50 -3.182 8.019 -4.201 428 H ARG 51 H ARG 51 -8.289 10.052 -0.947 429 HA ARG 51 HA ARG 51 -9.594 11.023 -3.277 430 HB2 ARG 51 1HB ARG 51 -9.916 8.806 -1.775 431 HB3 ARG 51 2HB ARG 51 -11.218 9.795 -1.123 432 HG2 ARG 51 1HG ARG 51 -12.109 10.095 -3.360 433 HG3 ARG 51 2HG ARG 51 -10.800 9.109 -4.009 434 HD2 ARG 51 1HD ARG 51 -11.615 7.281 -2.431 435 HD3 ARG 51 2HD ARG 51 -13.064 8.265 -2.225 436 HE ARG 51 HE ARG 51 -12.256 7.542 -4.944 437 HH11 ARG 51 1HH1 ARG 51 -14.490 7.114 -2.274 438 HH12 ARG 51 2HH1 ARG 51 -15.665 6.275 -3.235 439 HH21 ARG 51 1HH2 ARG 51 -13.783 6.448 -6.193 440 HH22 ARG 51 2HH2 ARG 51 -15.267 5.901 -5.470 441 H LYS 52 H LYS 52 -10.645 12.820 -3.537 442 HA LYS 52 HA LYS 52 -11.471 14.891 -3.141 443 HB2 LYS 52 1HB LYS 52 -13.683 14.852 -2.053 444 HB3 LYS 52 2HB LYS 52 -13.475 13.536 -3.197 445 HG2 LYS 52 1HG LYS 52 -12.979 12.039 -1.262 446 HG3 LYS 52 2HG LYS 52 -13.402 13.375 -0.192 447 HD2 LYS 52 1HD LYS 52 -15.632 13.454 -1.389 448 HD3 LYS 52 2HD LYS 52 -15.177 11.925 -2.143 449 HE2 LYS 52 1HE LYS 52 -16.432 11.280 -0.281 450 HE3 LYS 52 2HE LYS 52 -14.760 11.091 0.244 451 HZ1 LYS 52 3HZ LYS 52 -16.647 13.266 0.937 452 HZ2 LYS 52 1HZ LYS 52 -14.978 13.393 1.211 453 HZ3 LYS 52 2HZ LYS 52 -15.875 12.183 1.986 Start of MODEL 31 1 H1 MET 1 1H MET 1 -13.391 -10.903 2.241 2 H2 MET 1 2H MET 1 -14.741 -11.367 3.154 3 H3 MET 1 3H MET 1 -13.185 -11.852 3.629 4 HA MET 1 HA MET 1 -14.227 -9.082 3.568 5 HB2 MET 1 1HB MET 1 -13.676 -11.013 5.815 6 HB3 MET 1 2HB MET 1 -13.751 -9.276 6.080 7 HG2 MET 1 1HG MET 1 -15.955 -11.018 5.003 8 HG3 MET 1 2HG MET 1 -15.864 -10.309 6.613 9 HE1 MET 1 3HE MET 1 -18.776 -8.317 4.839 10 HE2 MET 1 1HE MET 1 -18.344 -9.321 6.225 11 HE3 MET 1 2HE MET 1 -18.368 -10.016 4.604 12 H LYS 2 H LYS 2 -11.480 -11.225 4.210 13 HA LYS 2 HA LYS 2 -9.684 -9.028 4.674 14 HB2 LYS 2 1HB LYS 2 -9.136 -11.954 4.113 15 HB3 LYS 2 2HB LYS 2 -7.924 -10.777 4.598 16 HG2 LYS 2 1HG LYS 2 -10.319 -11.493 6.271 17 HG3 LYS 2 2HG LYS 2 -8.746 -12.272 6.418 18 HD2 LYS 2 1HD LYS 2 -7.787 -9.957 6.817 19 HD3 LYS 2 2HD LYS 2 -9.453 -9.396 6.976 20 HE2 LYS 2 1HE LYS 2 -9.823 -10.973 8.794 21 HE3 LYS 2 2HE LYS 2 -8.168 -11.557 8.635 22 HZ1 LYS 2 3HZ LYS 2 -7.388 -9.320 9.207 23 HZ2 LYS 2 1HZ LYS 2 -8.337 -9.990 10.440 24 HZ3 LYS 2 2HZ LYS 2 -8.994 -8.810 9.415 25 H GLN 3 H GLN 3 -7.835 -8.586 3.283 26 HA GLN 3 HA GLN 3 -8.542 -8.907 0.444 27 HB2 GLN 3 1HB GLN 3 -9.331 -6.737 1.023 28 HB3 GLN 3 2HB GLN 3 -7.879 -6.378 1.945 29 HG2 GLN 3 1HG GLN 3 -7.859 -5.157 -0.120 30 HG3 GLN 3 2HG GLN 3 -6.581 -6.366 -0.123 31 HE21 GLN 3 1HE2 GLN 3 -9.970 -7.034 -0.659 32 HE22 GLN 3 2HE2 GLN 3 -9.818 -7.464 -2.330 33 H TRP 4 H TRP 4 -6.003 -7.120 2.105 34 HA TRP 4 HA TRP 4 -3.975 -8.520 0.529 35 HB2 TRP 4 1HB TRP 4 -2.623 -6.613 1.948 36 HB3 TRP 4 2HB TRP 4 -3.310 -6.352 0.356 37 HD1 TRP 4 HD1 TRP 4 -4.574 -4.108 0.269 38 HE1 TRP 4 HE1 TRP 4 -5.994 -2.720 1.905 39 HE3 TRP 4 HE3 TRP 4 -4.323 -7.160 4.361 40 HZ2 TRP 4 HZ2 TRP 4 -6.906 -2.909 4.559 41 HZ3 TRP 4 HZ3 TRP 4 -5.501 -6.482 6.400 42 HH2 TRP 4 HH2 TRP 4 -6.765 -4.401 6.501 43 H SER 5 H SER 5 -1.779 -8.606 1.957 44 HA SER 5 HA SER 5 -2.280 -10.147 4.310 45 HB2 SER 5 1HB SER 5 0.304 -8.780 3.532 46 HB3 SER 5 2HB SER 5 0.107 -10.169 4.600 47 HG SER 5 HG SER 5 -1.029 -10.858 2.354 48 H GLU 6 H GLU 6 -2.767 -9.352 6.273 49 HA GLU 6 HA GLU 6 -3.623 -6.757 6.612 50 HB2 GLU 6 1HB GLU 6 -4.232 -8.748 8.004 51 HB3 GLU 6 2HB GLU 6 -2.688 -8.586 8.827 52 HG2 GLU 6 1HG GLU 6 -3.330 -6.395 9.644 53 HG3 GLU 6 2HG GLU 6 -4.859 -6.503 8.772 54 H ASN 7 H ASN 7 -0.539 -8.163 7.564 55 HA ASN 7 HA ASN 7 0.503 -5.954 8.940 56 HB2 ASN 7 1HB ASN 7 1.430 -8.215 9.102 57 HB3 ASN 7 2HB ASN 7 1.952 -8.121 7.423 58 HD21 ASN 7 1HD2 ASN 7 4.102 -8.358 7.823 59 HD22 ASN 7 2HD2 ASN 7 5.059 -7.158 8.624 60 H VAL 8 H VAL 8 0.333 -6.621 5.509 61 HA VAL 8 HA VAL 8 2.537 -5.000 4.772 62 HB VAL 8 HB VAL 8 0.208 -5.867 3.050 63 HG11 VAL 8 1HG1 VAL 8 1.751 -5.406 1.180 64 HG12 VAL 8 2HG1 VAL 8 2.920 -4.748 2.325 65 HG13 VAL 8 3HG1 VAL 8 1.363 -3.953 2.099 66 HG21 VAL 8 3HG2 VAL 8 2.953 -7.067 3.451 67 HG22 VAL 8 1HG2 VAL 8 1.765 -7.604 2.262 68 HG23 VAL 8 2HG2 VAL 8 1.422 -7.760 3.984 69 H GLU 9 H GLU 9 -0.979 -4.365 4.786 70 HA GLU 9 HA GLU 9 -0.926 -1.775 3.771 71 HB2 GLU 9 1HB GLU 9 -3.029 -2.944 4.215 72 HB3 GLU 9 2HB GLU 9 -2.714 -2.890 5.947 73 HG2 GLU 9 1HG GLU 9 -2.698 -0.372 5.742 74 HG3 GLU 9 2HG GLU 9 -3.310 -0.587 4.104 75 H GLU 10 H GLU 10 -0.479 -2.935 7.052 76 HA GLU 10 HA GLU 10 -0.219 -0.545 8.431 77 HB2 GLU 10 1HB GLU 10 -0.361 -2.726 9.523 78 HB3 GLU 10 2HB GLU 10 1.201 -3.181 8.857 79 HG2 GLU 10 1HG GLU 10 1.595 -2.601 11.092 80 HG3 GLU 10 2HG GLU 10 2.175 -1.240 10.130 81 H LYS 11 H LYS 11 2.416 -2.585 7.164 82 HA LYS 11 HA LYS 11 4.360 -0.609 7.865 83 HB2 LYS 11 1HB LYS 11 4.684 -3.093 7.956 84 HB3 LYS 11 2HB LYS 11 4.778 -3.083 6.196 85 HG2 LYS 11 1HG LYS 11 6.710 -1.563 6.326 86 HG3 LYS 11 2HG LYS 11 6.627 -1.638 8.084 87 HD2 LYS 11 1HD LYS 11 8.313 -3.162 7.421 88 HD3 LYS 11 2HD LYS 11 6.913 -4.131 7.885 89 HE2 LYS 11 1HE LYS 11 6.314 -4.418 5.548 90 HE3 LYS 11 2HE LYS 11 7.653 -3.380 5.056 91 HZ1 LYS 11 3HZ LYS 11 7.725 -6.126 6.116 92 HZ2 LYS 11 1HZ LYS 11 9.055 -5.101 6.366 93 HZ3 LYS 11 2HZ LYS 11 8.550 -5.457 4.792 94 H LEU 12 H LEU 12 2.503 -1.258 5.038 95 HA LEU 12 HA LEU 12 4.177 0.072 3.163 96 HB2 LEU 12 1HB LEU 12 2.249 -1.384 2.548 97 HB3 LEU 12 2HB LEU 12 1.163 -0.151 3.160 98 HG LEU 12 HG LEU 12 1.947 1.409 1.431 99 HD11 LEU 12 1HD1 LEU 12 4.223 0.537 1.182 100 HD12 LEU 12 2HD1 LEU 12 3.391 0.639 -0.369 101 HD13 LEU 12 3HD1 LEU 12 3.578 -0.923 0.428 102 HD21 LEU 12 3HD2 LEU 12 1.090 -1.264 0.322 103 HD22 LEU 12 1HD2 LEU 12 0.916 0.300 -0.474 104 HD23 LEU 12 2HD2 LEU 12 0.016 -0.042 1.003 105 H LYS 13 H LYS 13 1.491 1.115 5.218 106 HA LYS 13 HA LYS 13 1.527 3.859 4.694 107 HB2 LYS 13 1HB LYS 13 -0.217 3.468 6.077 108 HB3 LYS 13 2HB LYS 13 0.555 2.056 6.783 109 HG2 LYS 13 1HG LYS 13 2.013 3.925 7.972 110 HG3 LYS 13 2HG LYS 13 0.547 4.872 7.696 111 HD2 LYS 13 1HD LYS 13 -0.789 3.282 8.881 112 HD3 LYS 13 2HD LYS 13 0.554 2.146 8.982 113 HE2 LYS 13 1HE LYS 13 1.775 3.852 10.358 114 HE3 LYS 13 2HE LYS 13 0.290 4.802 10.383 115 HZ1 LYS 13 3HZ LYS 13 -0.835 3.046 11.513 116 HZ2 LYS 13 1HZ LYS 13 0.599 3.375 12.356 117 HZ3 LYS 13 2HZ LYS 13 0.493 2.003 11.359 118 H GLU 14 H GLU 14 3.418 1.924 6.959 119 HA GLU 14 HA GLU 14 4.913 3.958 8.170 120 HB2 GLU 14 1HB GLU 14 5.826 1.145 7.515 121 HB3 GLU 14 2HB GLU 14 6.508 2.199 8.743 122 HG2 GLU 14 1HG GLU 14 3.643 1.319 8.835 123 HG3 GLU 14 2HG GLU 14 4.946 0.336 9.495 124 H PHE 15 H PHE 15 5.445 2.120 5.204 125 HA PHE 15 HA PHE 15 8.060 3.172 4.741 126 HB2 PHE 15 1HB PHE 15 7.265 0.903 4.085 127 HB3 PHE 15 2HB PHE 15 6.224 1.654 2.888 128 HD1 PHE 15 HD1 PHE 15 9.694 2.630 3.719 129 HD2 PHE 15 HD2 PHE 15 7.108 0.729 0.921 130 HE1 PHE 15 HE1 PHE 15 11.544 2.499 2.106 131 HE2 PHE 15 HE2 PHE 15 8.956 0.595 -0.693 132 HZ PHE 15 HZ PHE 15 11.176 1.484 -0.105 133 H VAL 16 H VAL 16 4.901 4.308 4.099 134 HA VAL 16 HA VAL 16 5.817 6.026 1.921 135 HB VAL 16 HB VAL 16 3.051 5.661 3.092 136 HG11 VAL 16 1HG1 VAL 16 2.259 7.034 1.214 137 HG12 VAL 16 2HG1 VAL 16 3.933 7.354 0.756 138 HG13 VAL 16 3HG1 VAL 16 3.313 7.947 2.296 139 HG21 VAL 16 3HG2 VAL 16 4.238 4.825 0.449 140 HG22 VAL 16 1HG2 VAL 16 2.548 4.636 0.919 141 HG23 VAL 16 2HG2 VAL 16 3.810 3.758 1.787 142 H LYS 17 H LYS 17 4.095 6.454 5.027 143 HA LYS 17 HA LYS 17 4.434 9.302 4.898 144 HB2 LYS 17 1HB LYS 17 3.379 7.515 7.093 145 HB3 LYS 17 2HB LYS 17 3.368 9.271 7.162 146 HG2 LYS 17 1HG LYS 17 1.963 7.616 5.081 147 HG3 LYS 17 2HG LYS 17 1.201 8.310 6.513 148 HD2 LYS 17 1HD LYS 17 1.821 10.566 5.743 149 HD3 LYS 17 2HD LYS 17 2.557 9.868 4.302 150 HE2 LYS 17 1HE LYS 17 0.372 8.990 3.616 151 HE3 LYS 17 2HE LYS 17 -0.363 9.703 5.052 152 HZ1 LYS 17 3HZ LYS 17 -0.645 11.081 3.060 153 HZ2 LYS 17 1HZ LYS 17 1.040 11.229 2.923 154 HZ3 LYS 17 2HZ LYS 17 0.240 11.883 4.267 155 H ARG 18 H ARG 18 5.891 6.698 6.748 156 HA ARG 18 HA ARG 18 7.405 8.602 8.342 157 HB2 ARG 18 1HB ARG 18 7.613 5.610 8.524 158 HB3 ARG 18 2HB ARG 18 7.835 6.815 9.792 159 HG2 ARG 18 1HG ARG 18 5.444 7.326 9.729 160 HG3 ARG 18 2HG ARG 18 5.223 6.114 8.472 161 HD2 ARG 18 1HD ARG 18 4.574 5.087 10.477 162 HD3 ARG 18 2HD ARG 18 6.167 4.438 10.097 163 HE ARG 18 HE ARG 18 6.836 6.430 11.725 164 HH11 ARG 18 1HH1 ARG 18 4.299 4.022 11.990 165 HH12 ARG 18 2HH1 ARG 18 4.290 4.053 13.733 166 HH21 ARG 18 1HH2 ARG 18 6.831 6.455 14.009 167 HH22 ARG 18 2HH2 ARG 18 5.741 5.419 14.877 168 H HIS 19 H HIS 19 7.757 7.725 5.391 169 HA HIS 19 HA HIS 19 10.679 7.711 5.533 170 HB2 HIS 19 1HB HIS 19 8.949 6.008 3.732 171 HB3 HIS 19 2HB HIS 19 10.642 6.338 3.384 172 HD1 HIS 19 HD1 HIS 19 8.483 4.583 5.978 173 HD2 HIS 19 HD2 HIS 19 12.430 4.767 4.688 174 HE1 HIS 19 HE1 HIS 19 9.712 2.730 7.178 175 H GLN 20 H GLN 20 11.205 8.012 2.847 176 HA GLN 20 HA GLN 20 10.252 10.722 2.427 177 HB2 GLN 20 1HB GLN 20 12.286 9.071 0.915 178 HB3 GLN 20 2HB GLN 20 11.928 10.764 0.601 179 HG2 GLN 20 1HG GLN 20 13.031 9.651 3.169 180 HG3 GLN 20 2HG GLN 20 13.952 10.503 1.931 181 HE21 GLN 20 1HE2 GLN 20 13.714 12.715 1.697 182 HE22 GLN 20 2HE2 GLN 20 12.947 13.694 2.908 183 H ARG 21 H ARG 21 8.417 8.505 2.097 184 HA ARG 21 HA ARG 21 6.700 7.846 0.788 185 HB2 ARG 21 1HB ARG 21 7.570 10.191 -0.896 186 HB3 ARG 21 2HB ARG 21 6.141 9.229 -1.237 187 HG2 ARG 21 1HG ARG 21 5.331 9.809 1.067 188 HG3 ARG 21 2HG ARG 21 6.665 10.962 1.154 189 HD2 ARG 21 1HD ARG 21 4.645 12.086 0.441 190 HD3 ARG 21 2HD ARG 21 5.822 12.065 -0.871 191 HE ARG 21 HE ARG 21 4.116 9.837 -1.126 192 HH11 ARG 21 1HH1 ARG 21 4.120 13.317 -1.491 193 HH12 ARG 21 2HH1 ARG 21 2.805 13.327 -2.628 194 HH21 ARG 21 1HH2 ARG 21 2.370 9.852 -2.625 195 HH22 ARG 21 2HH2 ARG 21 1.827 11.368 -3.278 196 H ILE 22 H ILE 22 6.169 7.218 -1.614 197 HA ILE 22 HA ILE 22 8.467 6.341 -3.116 198 HB ILE 22 HB ILE 22 8.263 4.565 -1.447 199 HG12 ILE 22 1HG1 ILE 22 7.286 3.635 -4.152 200 HG13 ILE 22 2HG1 ILE 22 8.961 4.023 -3.762 201 HG21 ILE 22 1HG2 ILE 22 5.458 4.224 -2.492 202 HG22 ILE 22 2HG2 ILE 22 5.922 4.782 -0.884 203 HG23 ILE 22 3HG2 ILE 22 6.272 3.126 -1.380 204 HD11 ILE 22 3HD1 ILE 22 9.006 2.232 -2.128 205 HD12 ILE 22 1HD1 ILE 22 8.558 1.626 -3.721 206 HD13 ILE 22 2HD1 ILE 22 7.320 1.849 -2.483 207 H THR 23 H THR 23 7.977 5.889 -5.252 208 HA THR 23 HA THR 23 5.467 6.862 -6.239 209 HB THR 23 HB THR 23 6.376 6.141 -8.469 210 HG1 THR 23 HG1 THR 23 8.916 5.768 -7.791 211 HG21 THR 23 3HG2 THR 23 8.174 7.806 -8.524 212 HG22 THR 23 1HG2 THR 23 8.220 7.816 -6.762 213 HG23 THR 23 2HG2 THR 23 6.785 8.395 -7.610 214 H GLN 24 H GLN 24 4.012 5.621 -7.612 215 HA GLN 24 HA GLN 24 3.270 3.134 -6.475 216 HB2 GLN 24 1HB GLN 24 1.767 4.783 -7.711 217 HB3 GLN 24 2HB GLN 24 2.430 4.124 -9.199 218 HG2 GLN 24 1HG GLN 24 1.580 1.926 -8.639 219 HG3 GLN 24 2HG GLN 24 0.972 2.530 -7.100 220 HE21 GLN 24 1HE2 GLN 24 0.483 2.387 -10.520 221 HE22 GLN 24 2HE2 GLN 24 -1.105 3.085 -10.526 222 H GLU 25 H GLU 25 5.429 4.044 -8.960 223 HA GLU 25 HA GLU 25 5.772 1.788 -10.512 224 HB2 GLU 25 1HB GLU 25 6.945 3.996 -10.737 225 HB3 GLU 25 2HB GLU 25 7.957 3.542 -9.372 226 HG2 GLU 25 1HG GLU 25 9.245 3.084 -11.259 227 HG3 GLU 25 2HG GLU 25 8.623 1.512 -10.755 228 H GLU 26 H GLU 26 7.826 2.620 -7.746 229 HA GLU 26 HA GLU 26 8.838 -0.039 -7.515 230 HB2 GLU 26 1HB GLU 26 10.106 2.057 -6.967 231 HB3 GLU 26 2HB GLU 26 9.082 2.247 -5.554 232 HG2 GLU 26 1HG GLU 26 11.174 1.281 -4.901 233 HG3 GLU 26 2HG GLU 26 9.897 0.080 -4.707 234 H LEU 27 H LEU 27 6.213 1.737 -6.142 235 HA LEU 27 HA LEU 27 5.814 0.212 -3.803 236 HB2 LEU 27 1HB LEU 27 4.836 2.463 -4.321 237 HB3 LEU 27 2HB LEU 27 3.732 1.672 -5.425 238 HG LEU 27 HG LEU 27 3.778 0.758 -2.581 239 HD11 LEU 27 1HD1 LEU 27 3.706 3.167 -2.362 240 HD12 LEU 27 2HD1 LEU 27 2.116 2.485 -2.016 241 HD13 LEU 27 3HD1 LEU 27 2.423 3.265 -3.569 242 HD21 LEU 27 3HD2 LEU 27 1.599 1.089 -4.646 243 HD22 LEU 27 1HD2 LEU 27 1.386 0.418 -3.030 244 HD23 LEU 27 2HD2 LEU 27 2.391 -0.425 -4.211 245 H HIS 28 H HIS 28 4.657 -0.139 -7.134 246 HA HIS 28 HA HIS 28 2.877 -2.277 -6.596 247 HB2 HIS 28 1HB HIS 28 2.973 -0.829 -8.711 248 HB3 HIS 28 2HB HIS 28 4.299 -1.869 -9.225 249 HD1 HIS 28 HD1 HIS 28 3.161 -4.626 -8.384 250 HD2 HIS 28 HD2 HIS 28 0.956 -1.670 -10.302 251 HE1 HIS 28 HE1 HIS 28 1.203 -5.792 -9.452 252 H GLN 29 H GLN 29 6.276 -2.147 -7.566 253 HA GLN 29 HA GLN 29 6.674 -4.934 -7.779 254 HB2 GLN 29 1HB GLN 29 8.202 -2.919 -8.461 255 HB3 GLN 29 2HB GLN 29 8.823 -3.062 -6.824 256 HG2 GLN 29 1HG GLN 29 8.758 -5.387 -8.719 257 HG3 GLN 29 2HG GLN 29 10.094 -4.244 -8.680 258 HE21 GLN 29 1HE2 GLN 29 9.992 -3.872 -5.806 259 HE22 GLN 29 2HE2 GLN 29 10.631 -5.322 -5.112 260 H TYR 30 H TYR 30 6.801 -2.669 -5.117 261 HA TYR 30 HA TYR 30 7.810 -4.419 -3.135 262 HB2 TYR 30 1HB TYR 30 7.757 -1.893 -3.071 263 HB3 TYR 30 2HB TYR 30 6.034 -2.005 -2.741 264 HD1 TYR 30 HD1 TYR 30 9.129 -3.642 -1.399 265 HD2 TYR 30 HD2 TYR 30 5.508 -1.579 -0.554 266 HE1 TYR 30 HE1 TYR 30 9.626 -3.770 1.007 267 HE2 TYR 30 HE2 TYR 30 5.986 -1.703 1.851 268 HH TYR 30 HH TYR 30 9.008 -2.514 3.095 269 H ALA 31 H ALA 31 4.622 -3.786 -4.414 270 HA ALA 31 HA ALA 31 3.087 -4.889 -2.324 271 HB1 ALA 31 3HB ALA 31 2.435 -4.735 -5.267 272 HB2 ALA 31 1HB ALA 31 2.151 -3.457 -4.085 273 HB3 ALA 31 2HB ALA 31 1.284 -4.988 -3.955 274 H GLN 32 H GLN 32 4.378 -6.290 -5.304 275 HA GLN 32 HA GLN 32 3.272 -8.885 -4.809 276 HB2 GLN 32 1HB GLN 32 5.468 -8.020 -6.694 277 HB3 GLN 32 2HB GLN 32 4.707 -9.605 -6.685 278 HG2 GLN 32 1HG GLN 32 2.561 -8.578 -7.250 279 HG3 GLN 32 2HG GLN 32 3.331 -6.991 -7.273 280 HE21 GLN 32 1HE2 GLN 32 4.891 -9.886 -8.423 281 HE22 GLN 32 2HE2 GLN 32 4.905 -9.449 -10.095 282 H ARG 33 H ARG 33 6.032 -7.201 -3.745 283 HA ARG 33 HA ARG 33 7.665 -9.501 -3.225 284 HB2 ARG 33 1HB ARG 33 8.492 -7.132 -3.627 285 HB3 ARG 33 2HB ARG 33 7.933 -6.750 -2.006 286 HG2 ARG 33 1HG ARG 33 9.467 -8.344 -1.053 287 HG3 ARG 33 2HG ARG 33 9.969 -8.867 -2.660 288 HD2 ARG 33 1HD ARG 33 10.775 -6.561 -3.105 289 HD3 ARG 33 2HD ARG 33 10.373 -6.137 -1.443 290 HE ARG 33 HE ARG 33 12.174 -8.388 -1.784 291 HH11 ARG 33 1HH1 ARG 33 11.908 -4.926 -1.318 292 HH12 ARG 33 2HH1 ARG 33 13.449 -4.789 -0.521 293 HH21 ARG 33 1HH2 ARG 33 14.209 -8.217 -0.777 294 HH22 ARG 33 2HH2 ARG 33 14.758 -6.663 -0.213 295 H LEU 34 H LEU 34 5.239 -7.660 -1.504 296 HA LEU 34 HA LEU 34 5.839 -9.119 0.960 297 HB2 LEU 34 1HB LEU 34 4.098 -6.723 0.436 298 HB3 LEU 34 2HB LEU 34 4.173 -7.542 1.984 299 HG LEU 34 HG LEU 34 6.429 -6.089 0.599 300 HD11 LEU 34 1HD1 LEU 34 4.809 -4.627 1.655 301 HD12 LEU 34 2HD1 LEU 34 6.318 -4.634 2.566 302 HD13 LEU 34 3HD1 LEU 34 4.928 -5.545 3.157 303 HD21 LEU 34 3HD2 LEU 34 6.453 -7.609 3.208 304 HD22 LEU 34 1HD2 LEU 34 7.769 -6.621 2.573 305 HD23 LEU 34 2HD2 LEU 34 7.278 -8.086 1.724 306 H GLY 35 H GLY 35 3.405 -8.942 -1.545 307 HA2 GLY 35 1HA GLY 35 2.198 -11.111 -1.736 308 HA3 GLY 35 2HA GLY 35 1.902 -10.982 -0.013 309 H LEU 36 H LEU 36 1.583 -8.428 -2.474 310 HA LEU 36 HA LEU 36 -1.268 -8.282 -1.744 311 HB2 LEU 36 1HB LEU 36 0.318 -6.181 -3.212 312 HB3 LEU 36 2HB LEU 36 -1.272 -6.017 -2.497 313 HG LEU 36 HG LEU 36 1.338 -6.302 -1.013 314 HD11 LEU 36 1HD1 LEU 36 -0.634 -4.033 -1.232 315 HD12 LEU 36 2HD1 LEU 36 0.976 -4.096 -1.947 316 HD13 LEU 36 3HD1 LEU 36 0.792 -4.055 -0.193 317 HD21 LEU 36 3HD2 LEU 36 -0.402 -7.509 0.172 318 HD22 LEU 36 1HD2 LEU 36 -1.480 -6.119 0.051 319 HD23 LEU 36 2HD2 LEU 36 -0.009 -6.014 1.020 320 H ASN 37 H ASN 37 -2.814 -8.617 -3.235 321 HA ASN 37 HA ASN 37 -2.079 -8.978 -6.015 322 HB2 ASN 37 1HB ASN 37 -4.556 -9.295 -6.366 323 HB3 ASN 37 2HB ASN 37 -3.818 -10.459 -5.283 324 HD21 ASN 37 1HD2 ASN 37 -4.487 -7.226 -4.168 325 HD22 ASN 37 2HD2 ASN 37 -5.852 -7.641 -3.175 326 H GLU 38 H GLU 38 -3.429 -7.668 -7.672 327 HA GLU 38 HA GLU 38 -2.553 -5.019 -7.370 328 HB2 GLU 38 1HB GLU 38 -2.963 -6.247 -9.531 329 HB3 GLU 38 2HB GLU 38 -4.681 -5.943 -9.298 330 HG2 GLU 38 1HG GLU 38 -4.137 -3.502 -9.202 331 HG3 GLU 38 2HG GLU 38 -2.495 -3.921 -9.689 332 H GLU 39 H GLU 39 -5.700 -6.469 -6.813 333 HA GLU 39 HA GLU 39 -7.267 -4.187 -6.562 334 HB2 GLU 39 1HB GLU 39 -8.134 -6.487 -6.615 335 HB3 GLU 39 2HB GLU 39 -7.480 -6.765 -5.007 336 HG2 GLU 39 1HG GLU 39 -8.988 -5.159 -4.057 337 HG3 GLU 39 2HG GLU 39 -9.552 -4.681 -5.657 338 H ALA 40 H ALA 40 -5.284 -5.836 -4.142 339 HA ALA 40 HA ALA 40 -5.988 -4.285 -1.913 340 HB1 ALA 40 3HB ALA 40 -4.090 -5.212 -0.821 341 HB2 ALA 40 1HB ALA 40 -3.278 -5.522 -2.358 342 HB3 ALA 40 2HB ALA 40 -4.699 -6.460 -1.913 343 H ILE 41 H ILE 41 -3.679 -3.824 -4.468 344 HA ILE 41 HA ILE 41 -2.187 -1.727 -3.309 345 HB ILE 41 HB ILE 41 -2.653 -2.259 -6.251 346 HG12 ILE 41 1HG1 ILE 41 -0.536 -3.365 -4.386 347 HG13 ILE 41 2HG1 ILE 41 -1.874 -4.277 -5.080 348 HG21 ILE 41 1HG2 ILE 41 -0.422 -0.836 -4.807 349 HG22 ILE 41 2HG2 ILE 41 -1.651 -0.095 -5.830 350 HG23 ILE 41 3HG2 ILE 41 -0.459 -1.186 -6.535 351 HD11 ILE 41 3HD1 ILE 41 0.359 -2.994 -6.633 352 HD12 ILE 41 1HD1 ILE 41 -0.963 -3.950 -7.303 353 HD13 ILE 41 2HD1 ILE 41 0.221 -4.706 -6.234 354 H ARG 42 H ARG 42 -4.855 -1.727 -5.658 355 HA ARG 42 HA ARG 42 -5.193 1.070 -5.765 356 HB2 ARG 42 1HB ARG 42 -6.171 -0.428 -7.436 357 HB3 ARG 42 2HB ARG 42 -7.225 -1.126 -6.212 358 HG2 ARG 42 1HG ARG 42 -8.160 1.206 -5.897 359 HG3 ARG 42 2HG ARG 42 -7.295 1.639 -7.370 360 HD2 ARG 42 1HD ARG 42 -9.503 1.093 -8.023 361 HD3 ARG 42 2HD ARG 42 -8.485 -0.267 -8.500 362 HE ARG 42 HE ARG 42 -10.174 -0.264 -6.073 363 HH11 ARG 42 1HH1 ARG 42 -8.713 -1.914 -8.806 364 HH12 ARG 42 2HH1 ARG 42 -9.579 -3.399 -8.538 365 HH21 ARG 42 1HH2 ARG 42 -11.321 -2.213 -5.717 366 HH22 ARG 42 2HH2 ARG 42 -11.056 -3.567 -6.776 367 H GLN 43 H GLN 43 -6.558 -1.435 -3.697 368 HA GLN 43 HA GLN 43 -8.561 0.071 -2.464 369 HB2 GLN 43 1HB GLN 43 -8.123 -2.462 -2.342 370 HB3 GLN 43 2HB GLN 43 -7.006 -2.083 -1.032 371 HG2 GLN 43 1HG GLN 43 -8.854 -0.977 0.170 372 HG3 GLN 43 2HG GLN 43 -9.953 -1.466 -1.118 373 HE21 GLN 43 1HE2 GLN 43 -8.086 -2.491 1.600 374 HE22 GLN 43 2HE2 GLN 43 -8.757 -4.081 1.727 375 H PHE 44 H PHE 44 -5.159 -0.368 -1.608 376 HA PHE 44 HA PHE 44 -5.137 1.042 0.807 377 HB2 PHE 44 1HB PHE 44 -3.258 -0.338 -0.095 378 HB3 PHE 44 2HB PHE 44 -2.925 0.942 -1.258 379 HD1 PHE 44 HD1 PHE 44 -3.072 0.182 2.357 380 HD2 PHE 44 HD2 PHE 44 -1.591 2.775 -0.675 381 HE1 PHE 44 HE1 PHE 44 -1.623 1.278 4.010 382 HE2 PHE 44 HE2 PHE 44 -0.133 3.876 0.974 383 HZ PHE 44 HZ PHE 44 -0.150 3.126 3.320 384 H PHE 45 H PHE 45 -4.789 2.182 -2.529 385 HA PHE 45 HA PHE 45 -4.309 4.893 -1.743 386 HB2 PHE 45 1HB PHE 45 -4.934 3.625 -4.401 387 HB3 PHE 45 2HB PHE 45 -4.715 5.361 -4.205 388 HD1 PHE 45 HD1 PHE 45 -2.496 5.974 -2.833 389 HD2 PHE 45 HD2 PHE 45 -3.109 2.426 -5.099 390 HE1 PHE 45 HE1 PHE 45 -0.063 5.705 -3.062 391 HE2 PHE 45 HE2 PHE 45 -0.674 2.155 -5.332 392 HZ PHE 45 HZ PHE 45 0.850 3.794 -4.315 393 H GLU 46 H GLU 46 -7.145 3.084 -2.870 394 HA GLU 46 HA GLU 46 -8.756 5.401 -3.165 395 HB2 GLU 46 1HB GLU 46 -10.609 3.922 -3.521 396 HB3 GLU 46 2HB GLU 46 -9.202 3.270 -4.334 397 HG2 GLU 46 1HG GLU 46 -8.914 1.600 -2.643 398 HG3 GLU 46 2HG GLU 46 -10.194 2.320 -1.668 399 H GLU 47 H GLU 47 -8.615 2.911 -0.636 400 HA GLU 47 HA GLU 47 -10.593 4.084 1.007 401 HB2 GLU 47 1HB GLU 47 -8.363 2.159 1.626 402 HB3 GLU 47 2HB GLU 47 -9.522 2.686 2.837 403 HG2 GLU 47 1HG GLU 47 -11.329 1.805 1.333 404 HG3 GLU 47 2HG GLU 47 -10.049 1.091 0.349 405 H PHE 48 H PHE 48 -7.278 4.827 0.533 406 HA PHE 48 HA PHE 48 -6.435 5.755 2.989 407 HB2 PHE 48 1HB PHE 48 -5.345 5.598 0.544 408 HB3 PHE 48 2HB PHE 48 -5.648 7.329 0.604 409 HD1 PHE 48 HD1 PHE 48 -3.814 4.547 2.145 410 HD2 PHE 48 HD2 PHE 48 -4.384 8.765 2.034 411 HE1 PHE 48 HE1 PHE 48 -1.759 4.860 3.466 412 HE2 PHE 48 HE2 PHE 48 -2.328 9.083 3.347 413 HZ PHE 48 HZ PHE 48 -1.013 7.130 4.067 414 H GLU 49 H GLU 49 -8.070 7.578 0.426 415 HA GLU 49 HA GLU 49 -8.141 9.969 2.054 416 HB2 GLU 49 1HB GLU 49 -9.179 11.008 0.088 417 HB3 GLU 49 2HB GLU 49 -7.695 10.162 -0.335 418 HG2 GLU 49 1HG GLU 49 -9.015 8.269 -1.156 419 HG3 GLU 49 2HG GLU 49 -10.493 9.134 -0.737 420 H GLN 50 H GLN 50 -10.186 7.285 1.430 421 HA GLN 50 HA GLN 50 -12.660 8.631 2.049 422 HB2 GLN 50 1HB GLN 50 -12.169 5.651 2.146 423 HB3 GLN 50 2HB GLN 50 -13.696 6.485 1.895 424 HG2 GLN 50 1HG GLN 50 -12.863 7.307 -0.269 425 HG3 GLN 50 2HG GLN 50 -11.368 6.402 -0.012 426 HE21 GLN 50 1HE2 GLN 50 -12.875 4.190 1.275 427 HE22 GLN 50 2HE2 GLN 50 -13.616 3.328 -0.026 428 H ARG 51 H ARG 51 -10.499 6.367 3.643 429 HA ARG 51 HA ARG 51 -10.251 5.719 5.788 430 HB2 ARG 51 1HB ARG 51 -9.536 7.668 7.218 431 HB3 ARG 51 2HB ARG 51 -8.738 7.484 5.674 432 HG2 ARG 51 1HG ARG 51 -10.333 9.130 4.762 433 HG3 ARG 51 2HG ARG 51 -10.858 9.451 6.417 434 HD2 ARG 51 1HD ARG 51 -8.614 10.045 7.047 435 HD3 ARG 51 2HD ARG 51 -8.032 9.616 5.446 436 HE ARG 51 HE ARG 51 -10.053 11.636 5.347 437 HH11 ARG 51 1HH1 ARG 51 -6.659 11.051 5.911 438 HH12 ARG 51 2HH1 ARG 51 -6.165 12.674 5.536 439 HH21 ARG 51 1HH2 ARG 51 -9.430 13.796 4.883 440 HH22 ARG 51 2HH2 ARG 51 -7.750 14.249 4.983 441 H LYS 52 H LYS 52 -12.272 4.757 6.161 442 HA LYS 52 HA LYS 52 -13.977 4.235 7.557 443 HB2 LYS 52 1HB LYS 52 -12.937 6.580 9.161 444 HB3 LYS 52 2HB LYS 52 -14.140 5.432 9.733 445 HG2 LYS 52 1HG LYS 52 -12.584 3.673 9.804 446 HG3 LYS 52 2HG LYS 52 -11.416 4.563 8.825 447 HD2 LYS 52 1HD LYS 52 -10.747 4.501 11.175 448 HD3 LYS 52 2HD LYS 52 -11.080 6.150 10.646 449 HE2 LYS 52 1HE LYS 52 -13.277 6.049 11.701 450 HE3 LYS 52 2HE LYS 52 -12.975 4.384 12.194 451 HZ1 LYS 52 3HZ LYS 52 -12.569 5.893 14.014 452 HZ2 LYS 52 1HZ LYS 52 -11.449 6.772 13.093 453 HZ3 LYS 52 2HZ LYS 52 -11.109 5.173 13.533 Start of MODEL 32 1 H1 MET 1 1H MET 1 -13.596 -10.116 7.354 2 H2 MET 1 2H MET 1 -12.948 -9.149 6.121 3 H3 MET 1 3H MET 1 -12.026 -9.485 7.505 4 HA MET 1 HA MET 1 -11.994 -11.829 6.924 5 HB2 MET 1 1HB MET 1 -13.496 -10.805 4.512 6 HB3 MET 1 2HB MET 1 -12.661 -12.352 4.524 7 HG2 MET 1 1HG MET 1 -14.905 -11.539 6.355 8 HG3 MET 1 2HG MET 1 -15.032 -12.621 4.968 9 HE1 MET 1 3HE MET 1 -16.082 -13.405 7.844 10 HE2 MET 1 1HE MET 1 -15.481 -15.054 8.008 11 HE3 MET 1 2HE MET 1 -16.154 -14.509 6.470 12 H LYS 2 H LYS 2 -10.868 -12.466 4.491 13 HA LYS 2 HA LYS 2 -8.368 -11.151 4.731 14 HB2 LYS 2 1HB LYS 2 -7.686 -12.532 2.797 15 HB3 LYS 2 2HB LYS 2 -8.461 -13.476 4.062 16 HG2 LYS 2 1HG LYS 2 -10.545 -13.470 2.777 17 HG3 LYS 2 2HG LYS 2 -9.751 -12.544 1.505 18 HD2 LYS 2 1HD LYS 2 -9.660 -14.748 0.739 19 HD3 LYS 2 2HD LYS 2 -8.060 -14.465 1.418 20 HE2 LYS 2 1HE LYS 2 -10.328 -15.857 2.845 21 HE3 LYS 2 2HE LYS 2 -9.007 -16.674 2.015 22 HZ1 LYS 2 3HZ LYS 2 -8.350 -16.654 4.219 23 HZ2 LYS 2 1HZ LYS 2 -8.926 -15.082 4.497 24 HZ3 LYS 2 2HZ LYS 2 -7.520 -15.320 3.580 25 H GLN 3 H GLN 3 -7.437 -9.604 3.572 26 HA GLN 3 HA GLN 3 -8.730 -8.632 1.145 27 HB2 GLN 3 1HB GLN 3 -8.256 -6.229 2.002 28 HB3 GLN 3 2HB GLN 3 -9.718 -7.058 2.508 29 HG2 GLN 3 1HG GLN 3 -8.699 -7.601 4.639 30 HG3 GLN 3 2HG GLN 3 -7.190 -6.842 4.131 31 HE21 GLN 3 1HE2 GLN 3 -10.266 -5.492 3.251 32 HE22 GLN 3 2HE2 GLN 3 -10.183 -4.108 4.286 33 H TRP 4 H TRP 4 -5.931 -8.015 3.315 34 HA TRP 4 HA TRP 4 -4.229 -8.724 1.083 35 HB2 TRP 4 1HB TRP 4 -2.742 -6.734 1.636 36 HB3 TRP 4 2HB TRP 4 -4.234 -6.363 0.782 37 HD1 TRP 4 HD1 TRP 4 -2.800 -6.205 4.365 38 HE1 TRP 4 HE1 TRP 4 -3.961 -4.286 5.619 39 HE3 TRP 4 HE3 TRP 4 -6.182 -4.871 0.804 40 HZ2 TRP 4 HZ2 TRP 4 -6.047 -2.449 5.151 41 HZ3 TRP 4 HZ3 TRP 4 -7.732 -3.021 1.280 42 HH2 TRP 4 HH2 TRP 4 -7.664 -1.836 3.406 43 H SER 5 H SER 5 -1.926 -9.005 1.934 44 HA SER 5 HA SER 5 -1.816 -10.615 4.173 45 HB2 SER 5 1HB SER 5 0.425 -8.857 3.129 46 HB3 SER 5 2HB SER 5 0.602 -10.325 4.090 47 HG SER 5 HG SER 5 0.851 -10.458 1.693 48 H GLU 6 H GLU 6 -2.084 -10.185 6.270 49 HA GLU 6 HA GLU 6 -2.925 -7.809 7.317 50 HB2 GLU 6 1HB GLU 6 -3.097 -10.011 8.426 51 HB3 GLU 6 2HB GLU 6 -1.381 -9.937 8.805 52 HG2 GLU 6 1HG GLU 6 -1.814 -7.887 10.124 53 HG3 GLU 6 2HG GLU 6 -3.538 -8.107 9.822 54 H ASN 7 H ASN 7 0.381 -8.994 7.163 55 HA ASN 7 HA ASN 7 1.570 -6.973 8.743 56 HB2 ASN 7 1HB ASN 7 2.646 -8.860 6.660 57 HB3 ASN 7 2HB ASN 7 3.681 -7.693 7.473 58 HD21 ASN 7 1HD2 ASN 7 4.300 -8.042 9.541 59 HD22 ASN 7 2HD2 ASN 7 3.946 -9.495 10.426 60 H VAL 8 H VAL 8 0.210 -6.783 5.608 61 HA VAL 8 HA VAL 8 2.154 -4.874 4.616 62 HB VAL 8 HB VAL 8 -0.514 -5.736 3.506 63 HG11 VAL 8 1HG1 VAL 8 1.653 -4.128 2.179 64 HG12 VAL 8 2HG1 VAL 8 0.152 -3.456 2.821 65 HG13 VAL 8 3HG1 VAL 8 0.106 -4.601 1.479 66 HG21 VAL 8 3HG2 VAL 8 2.304 -6.462 2.705 67 HG22 VAL 8 1HG2 VAL 8 0.829 -7.003 1.905 68 HG23 VAL 8 2HG2 VAL 8 1.173 -7.511 3.560 69 H GLU 9 H GLU 9 -1.005 -4.854 6.098 70 HA GLU 9 HA GLU 9 -1.841 -2.252 5.613 71 HB2 GLU 9 1HB GLU 9 -3.100 -4.106 6.792 72 HB3 GLU 9 2HB GLU 9 -2.150 -3.747 8.227 73 HG2 GLU 9 1HG GLU 9 -3.048 -1.401 8.099 74 HG3 GLU 9 2HG GLU 9 -4.152 -1.983 6.852 75 H GLU 10 H GLU 10 0.143 -3.525 8.239 76 HA GLU 10 HA GLU 10 0.675 -1.038 9.470 77 HB2 GLU 10 1HB GLU 10 0.902 -3.037 10.764 78 HB3 GLU 10 2HB GLU 10 2.045 -3.731 9.616 79 HG2 GLU 10 1HG GLU 10 3.639 -1.934 10.194 80 HG3 GLU 10 2HG GLU 10 2.504 -1.359 11.414 81 H LYS 11 H LYS 11 2.692 -3.109 7.390 82 HA LYS 11 HA LYS 11 4.965 -1.460 7.572 83 HB2 LYS 11 1HB LYS 11 4.980 -3.878 7.036 84 HB3 LYS 11 2HB LYS 11 4.318 -3.507 5.453 85 HG2 LYS 11 1HG LYS 11 6.295 -2.279 4.855 86 HG3 LYS 11 2HG LYS 11 6.947 -2.469 6.481 87 HD2 LYS 11 1HD LYS 11 6.315 -4.785 4.656 88 HD3 LYS 11 2HD LYS 11 7.911 -4.038 4.773 89 HE2 LYS 11 1HE LYS 11 7.971 -4.572 7.165 90 HE3 LYS 11 2HE LYS 11 6.384 -5.325 7.035 91 HZ1 LYS 11 3HZ LYS 11 7.298 -6.964 5.537 92 HZ2 LYS 11 1HZ LYS 11 8.174 -6.952 6.988 93 HZ3 LYS 11 2HZ LYS 11 8.824 -6.226 5.601 94 H LEU 12 H LEU 12 2.548 -1.793 4.963 95 HA LEU 12 HA LEU 12 3.887 -0.006 3.212 96 HB2 LEU 12 1HB LEU 12 2.259 -1.652 2.433 97 HB3 LEU 12 2HB LEU 12 0.975 -0.798 3.263 98 HG LEU 12 HG LEU 12 1.356 1.147 1.780 99 HD11 LEU 12 1HD1 LEU 12 3.243 -0.700 0.322 100 HD12 LEU 12 2HD1 LEU 12 3.728 0.697 1.282 101 HD13 LEU 12 3HD1 LEU 12 2.765 0.921 -0.181 102 HD21 LEU 12 3HD2 LEU 12 -0.347 -0.515 1.236 103 HD22 LEU 12 1HD2 LEU 12 0.850 -1.458 0.348 104 HD23 LEU 12 2HD2 LEU 12 0.387 0.145 -0.226 105 H LYS 13 H LYS 13 1.406 0.429 5.678 106 HA LYS 13 HA LYS 13 0.736 3.091 5.305 107 HB2 LYS 13 1HB LYS 13 -0.334 1.804 7.029 108 HB3 LYS 13 2HB LYS 13 1.197 1.529 7.843 109 HG2 LYS 13 1HG LYS 13 1.295 4.045 8.186 110 HG3 LYS 13 2HG LYS 13 -0.392 4.071 7.674 111 HD2 LYS 13 1HD LYS 13 -0.277 4.000 10.088 112 HD3 LYS 13 2HD LYS 13 -0.933 2.476 9.484 113 HE2 LYS 13 1HE LYS 13 1.254 1.419 9.760 114 HE3 LYS 13 2HE LYS 13 1.933 2.948 10.319 115 HZ1 LYS 13 3HZ LYS 13 -0.284 1.522 11.683 116 HZ2 LYS 13 1HZ LYS 13 0.573 2.868 12.252 117 HZ3 LYS 13 2HZ LYS 13 1.348 1.371 12.113 118 H GLU 14 H GLU 14 3.459 1.754 7.131 119 HA GLU 14 HA GLU 14 4.514 4.325 7.793 120 HB2 GLU 14 1HB GLU 14 5.835 1.615 7.954 121 HB3 GLU 14 2HB GLU 14 6.356 3.081 8.778 122 HG2 GLU 14 1HG GLU 14 4.197 3.106 9.992 123 HG3 GLU 14 2HG GLU 14 3.799 1.560 9.237 124 H PHE 15 H PHE 15 4.896 2.154 5.134 125 HA PHE 15 HA PHE 15 7.434 3.185 4.297 126 HB2 PHE 15 1HB PHE 15 6.041 0.925 3.717 127 HB3 PHE 15 2HB PHE 15 5.713 1.887 2.282 128 HD1 PHE 15 HD1 PHE 15 8.727 1.551 4.428 129 HD2 PHE 15 HD2 PHE 15 7.064 1.043 0.531 130 HE1 PHE 15 HE1 PHE 15 10.929 0.887 3.572 131 HE2 PHE 15 HE2 PHE 15 9.269 0.377 -0.313 132 HZ PHE 15 HZ PHE 15 11.203 0.299 1.200 133 H VAL 16 H VAL 16 4.096 4.009 3.723 134 HA VAL 16 HA VAL 16 4.836 5.928 1.655 135 HB VAL 16 HB VAL 16 2.125 5.347 2.872 136 HG11 VAL 16 1HG1 VAL 16 2.255 7.622 2.000 137 HG12 VAL 16 2HG1 VAL 16 1.222 6.619 0.982 138 HG13 VAL 16 3HG1 VAL 16 2.862 7.006 0.463 139 HG21 VAL 16 3HG2 VAL 16 3.018 3.462 1.612 140 HG22 VAL 16 1HG2 VAL 16 3.311 4.518 0.231 141 HG23 VAL 16 2HG2 VAL 16 1.661 4.202 0.764 142 H LYS 17 H LYS 17 3.402 5.924 4.914 143 HA LYS 17 HA LYS 17 3.262 8.769 5.108 144 HB2 LYS 17 1HB LYS 17 3.177 6.667 7.283 145 HB3 LYS 17 2HB LYS 17 2.780 8.362 7.504 146 HG2 LYS 17 1HG LYS 17 1.302 6.500 5.666 147 HG3 LYS 17 2HG LYS 17 0.824 6.868 7.324 148 HD2 LYS 17 1HD LYS 17 0.699 9.272 6.699 149 HD3 LYS 17 2HD LYS 17 1.049 8.823 5.031 150 HE2 LYS 17 1HE LYS 17 -0.993 7.538 4.903 151 HE3 LYS 17 2HE LYS 17 -1.324 7.819 6.612 152 HZ1 LYS 17 3HZ LYS 17 -1.348 9.818 4.418 153 HZ2 LYS 17 1HZ LYS 17 -1.400 10.236 6.062 154 HZ3 LYS 17 2HZ LYS 17 -2.646 9.317 5.388 155 H ARG 18 H ARG 18 5.347 6.368 6.699 156 HA ARG 18 HA ARG 18 6.809 8.500 7.997 157 HB2 ARG 18 1HB ARG 18 6.843 5.500 8.246 158 HB3 ARG 18 2HB ARG 18 7.977 6.532 9.108 159 HG2 ARG 18 1HG ARG 18 6.231 7.586 10.323 160 HG3 ARG 18 2HG ARG 18 4.997 6.840 9.306 161 HD2 ARG 18 1HD ARG 18 5.325 4.731 10.247 162 HD3 ARG 18 2HD ARG 18 6.895 5.175 10.923 163 HE ARG 18 HE ARG 18 4.832 6.782 12.029 164 HH11 ARG 18 1HH1 ARG 18 6.120 3.506 12.183 165 HH12 ARG 18 2HH1 ARG 18 5.672 3.290 13.848 166 HH21 ARG 18 1HH2 ARG 18 4.244 6.465 14.216 167 HH22 ARG 18 2HH2 ARG 18 4.614 4.951 14.994 168 H HIS 19 H HIS 19 7.156 6.704 5.158 169 HA HIS 19 HA HIS 19 10.051 7.142 5.163 170 HB2 HIS 19 1HB HIS 19 8.315 5.259 3.594 171 HB3 HIS 19 2HB HIS 19 9.946 5.651 3.063 172 HD1 HIS 19 HD1 HIS 19 8.201 4.150 6.110 173 HD2 HIS 19 HD2 HIS 19 11.882 4.165 4.180 174 HE1 HIS 19 HE1 HIS 19 9.647 2.464 7.321 175 H GLN 20 H GLN 20 10.509 7.167 2.436 176 HA GLN 20 HA GLN 20 9.939 9.943 1.947 177 HB2 GLN 20 1HB GLN 20 11.544 7.931 0.365 178 HB3 GLN 20 2HB GLN 20 11.474 9.655 0.022 179 HG2 GLN 20 1HG GLN 20 12.424 10.108 2.245 180 HG3 GLN 20 2HG GLN 20 12.555 8.372 2.523 181 HE21 GLN 20 1HE2 GLN 20 13.777 11.098 0.772 182 HE22 GLN 20 2HE2 GLN 20 15.221 10.342 0.191 183 H ARG 21 H ARG 21 7.666 8.153 1.755 184 HA ARG 21 HA ARG 21 5.717 8.197 0.597 185 HB2 ARG 21 1HB ARG 21 6.238 10.457 -0.128 186 HB3 ARG 21 2HB ARG 21 7.260 9.834 -1.415 187 HG2 ARG 21 1HG ARG 21 5.132 8.668 -2.262 188 HG3 ARG 21 2HG ARG 21 4.277 9.790 -1.200 189 HD2 ARG 21 1HD ARG 21 4.411 10.693 -3.448 190 HD3 ARG 21 2HD ARG 21 5.368 11.672 -2.336 191 HE ARG 21 HE ARG 21 7.173 9.912 -3.339 192 HH11 ARG 21 1HH1 ARG 21 4.916 12.156 -4.796 193 HH12 ARG 21 2HH1 ARG 21 5.879 12.395 -6.223 194 HH21 ARG 21 1HH2 ARG 21 8.456 10.234 -5.189 195 HH22 ARG 21 2HH2 ARG 21 7.895 11.302 -6.453 196 H ILE 22 H ILE 22 8.522 7.636 -1.461 197 HA ILE 22 HA ILE 22 9.117 6.107 -2.972 198 HB ILE 22 HB ILE 22 8.414 4.499 -1.112 199 HG12 ILE 22 1HG1 ILE 22 8.340 3.462 -3.949 200 HG13 ILE 22 2HG1 ILE 22 9.811 3.930 -3.100 201 HG21 ILE 22 1HG2 ILE 22 6.569 2.946 -1.749 202 HG22 ILE 22 2HG2 ILE 22 6.082 4.121 -2.973 203 HG23 ILE 22 3HG2 ILE 22 6.029 4.556 -1.267 204 HD11 ILE 22 3HD1 ILE 22 9.450 2.189 -1.474 205 HD12 ILE 22 1HD1 ILE 22 9.446 1.516 -3.103 206 HD13 ILE 22 2HD1 ILE 22 7.924 1.755 -2.243 207 H THR 23 H THR 23 8.793 5.593 -5.070 208 HA THR 23 HA THR 23 6.552 6.827 -6.357 209 HB THR 23 HB THR 23 7.680 5.891 -8.445 210 HG1 THR 23 HG1 THR 23 9.636 4.908 -8.208 211 HG21 THR 23 3HG2 THR 23 9.314 7.639 -6.599 212 HG22 THR 23 1HG2 THR 23 8.023 8.189 -7.666 213 HG23 THR 23 2HG2 THR 23 9.505 7.522 -8.346 214 H GLN 24 H GLN 24 4.982 5.841 -7.656 215 HA GLN 24 HA GLN 24 3.807 3.522 -6.636 216 HB2 GLN 24 1HB GLN 24 2.604 5.287 -7.895 217 HB3 GLN 24 2HB GLN 24 3.380 4.737 -9.374 218 HG2 GLN 24 1HG GLN 24 2.312 2.527 -9.060 219 HG3 GLN 24 2HG GLN 24 1.467 3.173 -7.655 220 HE21 GLN 24 1HE2 GLN 24 1.089 5.800 -8.930 221 HE22 GLN 24 2HE2 GLN 24 -0.163 5.575 -10.105 222 H GLU 25 H GLU 25 5.928 3.967 -9.418 223 HA GLU 25 HA GLU 25 5.814 1.477 -10.614 224 HB2 GLU 25 1HB GLU 25 7.134 3.387 -11.460 225 HB3 GLU 25 2HB GLU 25 8.280 3.170 -10.147 226 HG2 GLU 25 1HG GLU 25 9.228 2.222 -12.103 227 HG3 GLU 25 2HG GLU 25 8.763 0.894 -11.042 228 H GLU 26 H GLU 26 8.148 2.474 -8.124 229 HA GLU 26 HA GLU 26 9.138 -0.156 -7.723 230 HB2 GLU 26 1HB GLU 26 10.449 1.899 -7.312 231 HB3 GLU 26 2HB GLU 26 9.396 2.286 -5.961 232 HG2 GLU 26 1HG GLU 26 10.172 0.425 -4.716 233 HG3 GLU 26 2HG GLU 26 11.015 -0.235 -6.119 234 H LEU 27 H LEU 27 6.654 1.795 -6.231 235 HA LEU 27 HA LEU 27 6.189 0.326 -3.901 236 HB2 LEU 27 1HB LEU 27 5.204 2.562 -4.546 237 HB3 LEU 27 2HB LEU 27 4.083 1.700 -5.571 238 HG LEU 27 HG LEU 27 4.232 1.105 -2.624 239 HD11 LEU 27 1HD1 LEU 27 2.438 2.724 -2.276 240 HD12 LEU 27 2HD1 LEU 27 2.564 3.234 -3.960 241 HD13 LEU 27 3HD1 LEU 27 3.906 3.518 -2.850 242 HD21 LEU 27 3HD2 LEU 27 2.001 0.894 -4.653 243 HD22 LEU 27 1HD2 LEU 27 1.911 0.417 -2.956 244 HD23 LEU 27 2HD2 LEU 27 2.978 -0.451 -4.062 245 H HIS 28 H HIS 28 4.831 -0.082 -7.171 246 HA HIS 28 HA HIS 28 3.022 -2.117 -6.405 247 HB2 HIS 28 1HB HIS 28 3.002 -0.696 -8.559 248 HB3 HIS 28 2HB HIS 28 4.151 -1.879 -9.186 249 HD1 HIS 28 HD1 HIS 28 2.959 -4.506 -8.248 250 HD2 HIS 28 HD2 HIS 28 0.655 -1.367 -9.699 251 HE1 HIS 28 HE1 HIS 28 0.759 -5.513 -8.941 252 H GLN 29 H GLN 29 6.342 -2.219 -7.623 253 HA GLN 29 HA GLN 29 6.465 -5.049 -7.791 254 HB2 GLN 29 1HB GLN 29 8.085 -3.552 -8.917 255 HB3 GLN 29 2HB GLN 29 8.718 -3.077 -7.347 256 HG2 GLN 29 1HG GLN 29 10.118 -4.747 -8.475 257 HG3 GLN 29 2HG GLN 29 9.497 -5.313 -6.925 258 HE21 GLN 29 1HE2 GLN 29 9.740 -7.469 -7.465 259 HE22 GLN 29 2HE2 GLN 29 8.697 -8.263 -8.598 260 H TYR 30 H TYR 30 7.119 -2.703 -5.261 261 HA TYR 30 HA TYR 30 8.091 -4.496 -3.313 262 HB2 TYR 30 1HB TYR 30 8.329 -2.026 -3.218 263 HB3 TYR 30 2HB TYR 30 6.600 -1.891 -2.925 264 HD1 TYR 30 HD1 TYR 30 9.561 -3.682 -1.521 265 HD2 TYR 30 HD2 TYR 30 5.933 -1.606 -0.730 266 HE1 TYR 30 HE1 TYR 30 9.983 -3.876 0.891 267 HE2 TYR 30 HE2 TYR 30 6.348 -1.793 1.687 268 HH TYR 30 HH TYR 30 9.347 -2.726 2.968 269 H ALA 31 H ALA 31 4.875 -3.568 -4.345 270 HA ALA 31 HA ALA 31 3.411 -4.647 -2.197 271 HB1 ALA 31 3HB ALA 31 2.607 -4.336 -5.092 272 HB2 ALA 31 1HB ALA 31 2.428 -3.118 -3.830 273 HB3 ALA 31 2HB ALA 31 1.508 -4.620 -3.740 274 H GLN 32 H GLN 32 4.500 -6.012 -5.268 275 HA GLN 32 HA GLN 32 3.266 -8.545 -4.888 276 HB2 GLN 32 1HB GLN 32 5.540 -7.709 -6.689 277 HB3 GLN 32 2HB GLN 32 4.753 -9.281 -6.741 278 HG2 GLN 32 1HG GLN 32 2.627 -8.201 -7.278 279 HG3 GLN 32 2HG GLN 32 3.422 -6.628 -7.251 280 HE21 GLN 32 1HE2 GLN 32 3.041 -9.620 -8.956 281 HE22 GLN 32 2HE2 GLN 32 3.777 -9.108 -10.438 282 H ARG 33 H ARG 33 6.269 -7.134 -3.906 283 HA ARG 33 HA ARG 33 7.606 -9.497 -3.111 284 HB2 ARG 33 1HB ARG 33 8.882 -7.493 -3.338 285 HB3 ARG 33 2HB ARG 33 7.823 -6.616 -2.246 286 HG2 ARG 33 1HG ARG 33 8.606 -8.019 -0.389 287 HG3 ARG 33 2HG ARG 33 9.709 -8.838 -1.496 288 HD2 ARG 33 1HD ARG 33 10.961 -6.857 -1.853 289 HD3 ARG 33 2HD ARG 33 9.733 -5.860 -1.071 290 HE ARG 33 HE ARG 33 10.773 -7.843 0.697 291 HH11 ARG 33 1HH1 ARG 33 11.567 -4.739 -0.745 292 HH12 ARG 33 2HH1 ARG 33 12.493 -4.202 0.630 293 HH21 ARG 33 1HH2 ARG 33 11.968 -7.141 2.486 294 HH22 ARG 33 2HH2 ARG 33 12.712 -5.569 2.476 295 H LEU 34 H LEU 34 5.264 -7.392 -1.532 296 HA LEU 34 HA LEU 34 5.526 -8.727 1.022 297 HB2 LEU 34 1HB LEU 34 3.525 -6.668 0.098 298 HB3 LEU 34 2HB LEU 34 3.742 -7.211 1.749 299 HG LEU 34 HG LEU 34 5.768 -5.683 0.109 300 HD11 LEU 34 1HD1 LEU 34 5.332 -3.885 1.720 301 HD12 LEU 34 2HD1 LEU 34 4.067 -4.863 2.461 302 HD13 LEU 34 3HD1 LEU 34 3.889 -4.305 0.796 303 HD21 LEU 34 3HD2 LEU 34 5.882 -6.606 2.979 304 HD22 LEU 34 1HD2 LEU 34 7.068 -5.577 2.176 305 HD23 LEU 34 2HD2 LEU 34 6.844 -7.246 1.648 306 H GLY 35 H GLY 35 3.771 -9.263 -1.829 307 HA2 GLY 35 1HA GLY 35 2.390 -11.155 -2.175 308 HA3 GLY 35 2HA GLY 35 2.086 -11.219 -0.446 309 H LEU 36 H LEU 36 1.785 -8.473 -2.679 310 HA LEU 36 HA LEU 36 -0.842 -8.024 -1.495 311 HB2 LEU 36 1HB LEU 36 1.114 -6.238 -2.869 312 HB3 LEU 36 2HB LEU 36 -0.572 -5.773 -2.732 313 HG LEU 36 HG LEU 36 1.359 -6.275 -0.470 314 HD11 LEU 36 1HD1 LEU 36 -0.231 -3.858 -1.337 315 HD12 LEU 36 2HD1 LEU 36 1.506 -4.085 -1.542 316 HD13 LEU 36 3HD1 LEU 36 0.819 -3.949 0.077 317 HD21 LEU 36 3HD2 LEU 36 -1.635 -5.952 -0.463 318 HD22 LEU 36 1HD2 LEU 36 -0.627 -5.686 0.960 319 HD23 LEU 36 2HD2 LEU 36 -0.685 -7.277 0.203 320 H ASN 37 H ASN 37 -2.636 -7.943 -2.482 321 HA ASN 37 HA ASN 37 -2.827 -8.218 -5.382 322 HB2 ASN 37 1HB ASN 37 -5.317 -8.425 -4.810 323 HB3 ASN 37 2HB ASN 37 -4.280 -9.724 -4.246 324 HD21 ASN 37 1HD2 ASN 37 -4.298 -6.587 -2.632 325 HD22 ASN 37 2HD2 ASN 37 -5.137 -7.146 -1.211 326 H GLU 38 H GLU 38 -4.591 -6.715 -6.380 327 HA GLU 38 HA GLU 38 -3.726 -4.070 -5.932 328 HB2 GLU 38 1HB GLU 38 -6.009 -5.163 -7.546 329 HB3 GLU 38 2HB GLU 38 -5.600 -3.453 -7.502 330 HG2 GLU 38 1HG GLU 38 -3.294 -4.097 -8.262 331 HG3 GLU 38 2HG GLU 38 -3.925 -5.723 -8.531 332 H GLU 39 H GLU 39 -6.012 -5.835 -4.186 333 HA GLU 39 HA GLU 39 -7.918 -3.964 -3.450 334 HB2 GLU 39 1HB GLU 39 -8.115 -6.211 -2.641 335 HB3 GLU 39 2HB GLU 39 -6.547 -6.133 -1.854 336 HG2 GLU 39 1HG GLU 39 -8.198 -6.017 -0.163 337 HG3 GLU 39 2HG GLU 39 -7.480 -4.417 -0.310 338 H ALA 40 H ALA 40 -4.832 -4.633 -1.832 339 HA ALA 40 HA ALA 40 -4.979 -2.303 -0.178 340 HB1 ALA 40 3HB ALA 40 -2.742 -2.895 0.542 341 HB2 ALA 40 1HB ALA 40 -2.593 -4.040 -0.791 342 HB3 ALA 40 2HB ALA 40 -3.758 -4.335 0.497 343 H ILE 41 H ILE 41 -3.431 -3.135 -3.209 344 HA ILE 41 HA ILE 41 -1.621 -1.015 -3.302 345 HB ILE 41 HB ILE 41 -2.869 -2.436 -5.648 346 HG12 ILE 41 1HG1 ILE 41 -0.324 -3.025 -4.122 347 HG13 ILE 41 2HG1 ILE 41 -1.799 -3.985 -4.071 348 HG21 ILE 41 1HG2 ILE 41 -0.322 -0.835 -5.440 349 HG22 ILE 41 2HG2 ILE 41 -1.789 -0.365 -6.302 350 HG23 ILE 41 3HG2 ILE 41 -0.845 -1.749 -6.855 351 HD11 ILE 41 3HD1 ILE 41 -0.082 -3.545 -6.504 352 HD12 ILE 41 1HD1 ILE 41 -1.535 -4.540 -6.421 353 HD13 ILE 41 2HD1 ILE 41 -0.101 -4.993 -5.499 354 H ARG 42 H ARG 42 -4.831 -1.364 -4.777 355 HA ARG 42 HA ARG 42 -4.811 1.297 -5.830 356 HB2 ARG 42 1HB ARG 42 -6.937 -0.814 -5.616 357 HB3 ARG 42 2HB ARG 42 -7.268 0.788 -6.253 358 HG2 ARG 42 1HG ARG 42 -5.650 0.464 -8.000 359 HG3 ARG 42 2HG ARG 42 -5.254 -1.141 -7.371 360 HD2 ARG 42 1HD ARG 42 -7.672 -1.741 -7.701 361 HD3 ARG 42 2HD ARG 42 -7.868 -0.203 -8.539 362 HE ARG 42 HE ARG 42 -5.788 -1.991 -9.531 363 HH11 ARG 42 1HH1 ARG 42 -9.030 -0.686 -9.923 364 HH12 ARG 42 2HH1 ARG 42 -9.172 -1.242 -11.560 365 HH21 ARG 42 1HH2 ARG 42 -5.970 -2.697 -11.651 366 HH22 ARG 42 2HH2 ARG 42 -7.419 -2.377 -12.566 367 H GLN 43 H GLN 43 -5.957 -0.217 -2.898 368 HA GLN 43 HA GLN 43 -7.883 1.622 -2.100 369 HB2 GLN 43 1HB GLN 43 -7.264 -0.562 -0.945 370 HB3 GLN 43 2HB GLN 43 -5.953 0.334 -0.180 371 HG2 GLN 43 1HG GLN 43 -7.877 1.986 0.477 372 HG3 GLN 43 2HG GLN 43 -8.892 0.570 0.218 373 HE21 GLN 43 1HE2 GLN 43 -9.462 0.379 2.349 374 HE22 GLN 43 2HE2 GLN 43 -8.356 -0.125 3.574 375 H PHE 44 H PHE 44 -4.384 1.663 -1.459 376 HA PHE 44 HA PHE 44 -4.340 3.954 0.120 377 HB2 PHE 44 1HB PHE 44 -2.385 2.366 -1.418 378 HB3 PHE 44 2HB PHE 44 -1.905 4.005 -1.021 379 HD1 PHE 44 HD1 PHE 44 -3.229 0.896 0.535 380 HD2 PHE 44 HD2 PHE 44 -0.985 4.474 1.052 381 HE1 PHE 44 HE1 PHE 44 -2.583 0.160 2.794 382 HE2 PHE 44 HE2 PHE 44 -0.335 3.746 3.307 383 HZ PHE 44 HZ PHE 44 -1.130 1.586 4.187 384 H PHE 45 H PHE 45 -4.408 3.569 -3.351 385 HA PHE 45 HA PHE 45 -3.900 6.411 -3.735 386 HB2 PHE 45 1HB PHE 45 -4.202 4.162 -5.726 387 HB3 PHE 45 2HB PHE 45 -3.926 5.843 -6.167 388 HD1 PHE 45 HD1 PHE 45 -1.842 6.957 -5.026 389 HD2 PHE 45 HD2 PHE 45 -2.393 2.767 -5.505 390 HE1 PHE 45 HE1 PHE 45 0.585 6.619 -4.814 391 HE2 PHE 45 HE2 PHE 45 0.032 2.419 -5.293 392 HZ PHE 45 HZ PHE 45 1.526 4.346 -4.950 393 H GLU 46 H GLU 46 -6.356 4.109 -4.971 394 HA GLU 46 HA GLU 46 -7.823 6.239 -6.161 395 HB2 GLU 46 1HB GLU 46 -9.069 4.611 -7.206 396 HB3 GLU 46 2HB GLU 46 -7.590 3.729 -6.853 397 HG2 GLU 46 1HG GLU 46 -8.626 2.659 -4.952 398 HG3 GLU 46 2HG GLU 46 -10.090 3.615 -5.180 399 H GLU 47 H GLU 47 -8.296 4.295 -3.257 400 HA GLU 47 HA GLU 47 -10.400 6.154 -2.436 401 HB2 GLU 47 1HB GLU 47 -11.495 4.156 -3.450 402 HB3 GLU 47 2HB GLU 47 -10.708 3.149 -2.242 403 HG2 GLU 47 1HG GLU 47 -11.903 4.334 -0.472 404 HG3 GLU 47 2HG GLU 47 -12.677 5.360 -1.678 405 H PHE 48 H PHE 48 -8.319 6.748 -1.391 406 HA PHE 48 HA PHE 48 -7.130 5.247 0.657 407 HB2 PHE 48 1HB PHE 48 -6.244 7.336 -0.496 408 HB3 PHE 48 2HB PHE 48 -7.324 8.264 0.530 409 HD1 PHE 48 HD1 PHE 48 -4.451 5.949 0.576 410 HD2 PHE 48 HD2 PHE 48 -6.710 8.844 2.709 411 HE1 PHE 48 HE1 PHE 48 -2.706 6.020 2.302 412 HE2 PHE 48 HE2 PHE 48 -4.972 8.929 4.442 413 HZ PHE 48 HZ PHE 48 -2.963 7.516 4.244 414 H GLU 49 H GLU 49 -9.337 7.991 0.931 415 HA GLU 49 HA GLU 49 -11.170 6.990 2.702 416 HB2 GLU 49 1HB GLU 49 -10.538 7.969 4.869 417 HB3 GLU 49 2HB GLU 49 -9.384 6.745 4.362 418 HG2 GLU 49 1HG GLU 49 -7.818 8.467 3.673 419 HG3 GLU 49 2HG GLU 49 -8.981 9.722 4.106 420 H GLN 50 H GLN 50 -9.238 9.708 1.696 421 HA GLN 50 HA GLN 50 -11.515 11.520 1.975 422 HB2 GLN 50 1HB GLN 50 -8.678 12.168 1.137 423 HB3 GLN 50 2HB GLN 50 -9.929 13.311 1.617 424 HG2 GLN 50 1HG GLN 50 -9.902 12.435 3.877 425 HG3 GLN 50 2HG GLN 50 -8.720 11.214 3.407 426 HE21 GLN 50 1HE2 GLN 50 -7.275 13.106 1.701 427 HE22 GLN 50 2HE2 GLN 50 -6.379 14.125 2.773 428 H ARG 51 H ARG 51 -9.264 10.152 -0.376 429 HA ARG 51 HA ARG 51 -10.844 11.039 -2.633 430 HB2 ARG 51 1HB ARG 51 -8.838 8.783 -2.646 431 HB3 ARG 51 2HB ARG 51 -9.336 9.797 -3.990 432 HG2 ARG 51 1HG ARG 51 -8.154 11.679 -3.046 433 HG3 ARG 51 2HG ARG 51 -7.728 10.723 -1.622 434 HD2 ARG 51 1HD ARG 51 -6.678 9.087 -3.316 435 HD3 ARG 51 2HD ARG 51 -6.763 10.438 -4.445 436 HE ARG 51 HE ARG 51 -5.366 11.689 -2.817 437 HH11 ARG 51 1HH1 ARG 51 -5.379 8.189 -2.839 438 HH12 ARG 51 2HH1 ARG 51 -3.829 8.037 -2.074 439 HH21 ARG 51 1HH2 ARG 51 -3.291 11.511 -1.834 440 HH22 ARG 51 2HH2 ARG 51 -2.628 9.935 -1.532 441 H LYS 52 H LYS 52 -12.702 10.054 -3.232 442 HA LYS 52 HA LYS 52 -12.999 7.206 -3.077 443 HB2 LYS 52 1HB LYS 52 -15.022 7.283 -1.599 444 HB3 LYS 52 2HB LYS 52 -13.511 7.641 -0.775 445 HG2 LYS 52 1HG LYS 52 -14.019 10.036 -0.912 446 HG3 LYS 52 2HG LYS 52 -15.553 9.651 -1.695 447 HD2 LYS 52 1HD LYS 52 -16.211 8.360 0.296 448 HD3 LYS 52 2HD LYS 52 -14.700 8.831 1.079 449 HE2 LYS 52 1HE LYS 52 -16.516 10.255 1.824 450 HE3 LYS 52 2HE LYS 52 -15.351 11.188 0.884 451 HZ1 LYS 52 3HZ LYS 52 -16.839 10.946 -1.044 452 HZ2 LYS 52 1HZ LYS 52 -17.573 11.778 0.237 453 HZ3 LYS 52 2HZ LYS 52 -17.972 10.156 -0.068 Start of MODEL 33 1 H1 MET 1 1H MET 1 -12.511 -7.189 3.360 2 H2 MET 1 2H MET 1 -11.672 -8.431 2.571 3 H3 MET 1 3H MET 1 -10.838 -7.067 3.129 4 HA MET 1 HA MET 1 -11.316 -7.636 5.404 5 HB2 MET 1 1HB MET 1 -13.485 -8.761 4.879 6 HB3 MET 1 2HB MET 1 -12.582 -10.131 4.254 7 HG2 MET 1 1HG MET 1 -13.287 -10.668 6.450 8 HG3 MET 1 2HG MET 1 -11.547 -10.390 6.497 9 HE1 MET 1 3HE MET 1 -14.722 -7.428 8.060 10 HE2 MET 1 1HE MET 1 -15.094 -9.052 7.484 11 HE3 MET 1 2HE MET 1 -14.533 -7.823 6.351 12 H LYS 2 H LYS 2 -10.989 -10.798 3.820 13 HA LYS 2 HA LYS 2 -8.148 -10.785 4.544 14 HB2 LYS 2 1HB LYS 2 -10.101 -12.960 3.875 15 HB3 LYS 2 2HB LYS 2 -8.384 -13.250 3.666 16 HG2 LYS 2 1HG LYS 2 -9.008 -14.109 5.787 17 HG3 LYS 2 2HG LYS 2 -8.067 -12.645 6.070 18 HD2 LYS 2 1HD LYS 2 -10.069 -11.385 6.507 19 HD3 LYS 2 2HD LYS 2 -11.079 -12.761 6.063 20 HE2 LYS 2 1HE LYS 2 -10.954 -12.545 8.479 21 HE3 LYS 2 2HE LYS 2 -10.168 -14.032 7.955 22 HZ1 LYS 2 3HZ LYS 2 -8.689 -11.525 8.529 23 HZ2 LYS 2 1HZ LYS 2 -8.043 -13.074 8.300 24 HZ3 LYS 2 2HZ LYS 2 -8.957 -12.733 9.685 25 H GLN 3 H GLN 3 -7.016 -9.753 3.023 26 HA GLN 3 HA GLN 3 -7.251 -10.692 0.254 27 HB2 GLN 3 1HB GLN 3 -7.336 -7.807 1.156 28 HB3 GLN 3 2HB GLN 3 -6.960 -8.278 -0.494 29 HG2 GLN 3 1HG GLN 3 -9.512 -9.021 0.914 30 HG3 GLN 3 2HG GLN 3 -9.325 -7.586 -0.092 31 HE21 GLN 3 1HE2 GLN 3 -11.062 -9.929 -0.414 32 HE22 GLN 3 2HE2 GLN 3 -10.695 -10.575 -1.982 33 H TRP 4 H TRP 4 -5.490 -8.130 1.945 34 HA TRP 4 HA TRP 4 -2.967 -9.018 0.895 35 HB2 TRP 4 1HB TRP 4 -2.200 -7.230 2.718 36 HB3 TRP 4 2HB TRP 4 -2.848 -6.744 1.167 37 HD1 TRP 4 HD1 TRP 4 -4.432 -4.783 1.452 38 HE1 TRP 4 HE1 TRP 4 -6.177 -4.017 3.169 39 HE3 TRP 4 HE3 TRP 4 -3.921 -8.554 4.854 40 HZ2 TRP 4 HZ2 TRP 4 -7.194 -4.886 5.642 41 HZ3 TRP 4 HZ3 TRP 4 -5.316 -8.507 6.871 42 HH2 TRP 4 HH2 TRP 4 -6.919 -6.707 7.258 43 H SER 5 H SER 5 -1.127 -9.069 2.628 44 HA SER 5 HA SER 5 -1.945 -10.752 4.856 45 HB2 SER 5 1HB SER 5 0.824 -9.817 4.081 46 HB3 SER 5 2HB SER 5 0.432 -11.066 5.264 47 HG SER 5 HG SER 5 1.020 -11.696 2.976 48 H GLU 6 H GLU 6 -2.261 -9.930 6.853 49 HA GLU 6 HA GLU 6 -2.659 -7.242 7.328 50 HB2 GLU 6 1HB GLU 6 -3.481 -9.126 8.730 51 HB3 GLU 6 2HB GLU 6 -1.865 -9.294 9.398 52 HG2 GLU 6 1HG GLU 6 -1.994 -7.053 10.319 53 HG3 GLU 6 2HG GLU 6 -3.600 -6.849 9.618 54 H ASN 7 H ASN 7 0.228 -9.131 8.114 55 HA ASN 7 HA ASN 7 1.845 -7.226 9.278 56 HB2 ASN 7 1HB ASN 7 2.560 -9.391 7.301 57 HB3 ASN 7 2HB ASN 7 3.755 -8.480 8.212 58 HD21 ASN 7 1HD2 ASN 7 4.561 -10.272 9.239 59 HD22 ASN 7 2HD2 ASN 7 3.685 -11.115 10.473 60 H VAL 8 H VAL 8 1.251 -7.817 5.867 61 HA VAL 8 HA VAL 8 3.181 -5.995 4.865 62 HB VAL 8 HB VAL 8 0.740 -7.135 3.496 63 HG11 VAL 8 1HG1 VAL 8 1.504 -5.297 2.233 64 HG12 VAL 8 2HG1 VAL 8 2.123 -6.748 1.439 65 HG13 VAL 8 3HG1 VAL 8 3.189 -5.765 2.439 66 HG21 VAL 8 3HG2 VAL 8 2.166 -8.910 4.322 67 HG22 VAL 8 1HG2 VAL 8 3.576 -8.151 3.584 68 HG23 VAL 8 2HG2 VAL 8 2.287 -8.795 2.565 69 H GLU 9 H GLU 9 -0.337 -5.865 5.226 70 HA GLU 9 HA GLU 9 -0.811 -3.379 4.077 71 HB2 GLU 9 1HB GLU 9 -2.539 -5.036 4.728 72 HB3 GLU 9 2HB GLU 9 -2.245 -4.655 6.417 73 HG2 GLU 9 1HG GLU 9 -2.904 -2.347 4.714 74 HG3 GLU 9 2HG GLU 9 -4.188 -3.540 4.893 75 H GLU 10 H GLU 10 -0.103 -4.209 7.438 76 HA GLU 10 HA GLU 10 -0.137 -1.645 8.542 77 HB2 GLU 10 1HB GLU 10 -0.087 -3.724 9.849 78 HB3 GLU 10 2HB GLU 10 1.546 -4.045 9.289 79 HG2 GLU 10 1HG GLU 10 1.650 -3.201 11.503 80 HG3 GLU 10 2HG GLU 10 2.283 -1.971 10.409 81 H LYS 11 H LYS 11 2.543 -3.512 7.156 82 HA LYS 11 HA LYS 11 4.548 -1.608 7.714 83 HB2 LYS 11 1HB LYS 11 5.080 -3.944 7.328 84 HB3 LYS 11 2HB LYS 11 4.486 -3.838 5.678 85 HG2 LYS 11 1HG LYS 11 6.280 -2.356 5.070 86 HG3 LYS 11 2HG LYS 11 6.822 -2.269 6.747 87 HD2 LYS 11 1HD LYS 11 6.770 -4.773 5.061 88 HD3 LYS 11 2HD LYS 11 8.202 -3.795 5.385 89 HE2 LYS 11 1HE LYS 11 6.527 -5.209 7.455 90 HE3 LYS 11 2HE LYS 11 8.086 -5.758 6.846 91 HZ1 LYS 11 3HZ LYS 11 8.299 -4.620 8.970 92 HZ2 LYS 11 1HZ LYS 11 7.611 -3.213 8.316 93 HZ3 LYS 11 2HZ LYS 11 9.108 -3.766 7.747 94 H LEU 12 H LEU 12 2.555 -2.181 4.848 95 HA LEU 12 HA LEU 12 3.853 -0.408 3.105 96 HB2 LEU 12 1HB LEU 12 1.222 -1.716 3.242 97 HB3 LEU 12 2HB LEU 12 1.271 -0.248 2.286 98 HG LEU 12 HG LEU 12 1.600 -2.345 0.976 99 HD11 LEU 12 1HD1 LEU 12 3.913 -0.424 0.970 100 HD12 LEU 12 2HD1 LEU 12 2.383 -0.213 0.118 101 HD13 LEU 12 3HD1 LEU 12 3.476 -1.522 -0.337 102 HD21 LEU 12 3HD2 LEU 12 2.984 -3.447 2.783 103 HD22 LEU 12 1HD2 LEU 12 4.328 -2.460 2.216 104 HD23 LEU 12 2HD2 LEU 12 3.567 -3.616 1.125 105 H LYS 13 H LYS 13 1.236 0.135 5.421 106 HA LYS 13 HA LYS 13 0.758 2.828 4.828 107 HB2 LYS 13 1HB LYS 13 -0.748 1.618 6.271 108 HB3 LYS 13 2HB LYS 13 0.539 1.306 7.428 109 HG2 LYS 13 1HG LYS 13 -0.127 4.137 6.828 110 HG3 LYS 13 2HG LYS 13 -1.262 3.210 7.802 111 HD2 LYS 13 1HD LYS 13 0.681 2.580 9.276 112 HD3 LYS 13 2HD LYS 13 1.648 3.747 8.370 113 HE2 LYS 13 1HE LYS 13 0.866 4.830 10.356 114 HE3 LYS 13 2HE LYS 13 -0.029 5.498 8.987 115 HZ1 LYS 13 3HZ LYS 13 -1.480 5.017 10.863 116 HZ2 LYS 13 1HZ LYS 13 -1.022 3.384 10.827 117 HZ3 LYS 13 2HZ LYS 13 -1.887 4.053 9.529 118 H GLU 14 H GLU 14 3.029 1.331 7.089 119 HA GLU 14 HA GLU 14 4.114 3.750 8.074 120 HB2 GLU 14 1HB GLU 14 5.456 1.046 7.906 121 HB3 GLU 14 2HB GLU 14 5.908 2.374 8.967 122 HG2 GLU 14 1HG GLU 14 3.683 2.188 10.049 123 HG3 GLU 14 2HG GLU 14 3.373 0.759 9.063 124 H PHE 15 H PHE 15 4.856 1.770 5.284 125 HA PHE 15 HA PHE 15 7.360 2.976 4.713 126 HB2 PHE 15 1HB PHE 15 6.459 0.724 3.906 127 HB3 PHE 15 2HB PHE 15 5.555 1.638 2.713 128 HD1 PHE 15 HD1 PHE 15 8.975 2.498 3.832 129 HD2 PHE 15 HD2 PHE 15 6.607 0.718 0.761 130 HE1 PHE 15 HE1 PHE 15 10.929 2.451 2.351 131 HE2 PHE 15 HE2 PHE 15 8.563 0.670 -0.711 132 HZ PHE 15 HZ PHE 15 10.727 1.540 0.074 133 H VAL 16 H VAL 16 4.054 3.668 3.812 134 HA VAL 16 HA VAL 16 4.858 5.797 2.014 135 HB VAL 16 HB VAL 16 2.100 5.063 3.022 136 HG11 VAL 16 1HG1 VAL 16 2.238 7.395 2.308 137 HG12 VAL 16 2HG1 VAL 16 1.261 6.439 1.193 138 HG13 VAL 16 3HG1 VAL 16 2.913 6.885 0.761 139 HG21 VAL 16 3HG2 VAL 16 3.446 4.435 0.393 140 HG22 VAL 16 1HG2 VAL 16 1.785 4.034 0.831 141 HG23 VAL 16 2HG2 VAL 16 3.130 3.283 1.690 142 H LYS 17 H LYS 17 3.147 5.577 5.138 143 HA LYS 17 HA LYS 17 2.920 8.403 5.437 144 HB2 LYS 17 1HB LYS 17 2.450 6.099 7.314 145 HB3 LYS 17 2HB LYS 17 2.265 7.767 7.826 146 HG2 LYS 17 1HG LYS 17 0.684 6.369 5.670 147 HG3 LYS 17 2HG LYS 17 0.128 6.802 7.287 148 HD2 LYS 17 1HD LYS 17 0.629 9.204 6.706 149 HD3 LYS 17 2HD LYS 17 0.892 8.670 5.047 150 HE2 LYS 17 1HE LYS 17 -1.413 7.836 4.956 151 HE3 LYS 17 2HE LYS 17 -1.675 8.390 6.611 152 HZ1 LYS 17 3HZ LYS 17 -1.141 10.058 4.215 153 HZ2 LYS 17 1HZ LYS 17 -1.103 10.663 5.800 154 HZ3 LYS 17 2HZ LYS 17 -2.541 10.027 5.174 155 H ARG 18 H ARG 18 4.969 5.975 7.030 156 HA ARG 18 HA ARG 18 6.118 8.062 8.683 157 HB2 ARG 18 1HB ARG 18 6.619 5.087 8.613 158 HB3 ARG 18 2HB ARG 18 7.302 6.196 9.792 159 HG2 ARG 18 1HG ARG 18 5.044 6.743 10.578 160 HG3 ARG 18 2HG ARG 18 4.376 5.606 9.403 161 HD2 ARG 18 1HD ARG 18 4.568 4.649 11.676 162 HD3 ARG 18 2HD ARG 18 5.500 3.767 10.465 163 HE ARG 18 HE ARG 18 6.739 5.734 12.285 164 HH11 ARG 18 1HH1 ARG 18 6.636 2.543 10.848 165 HH12 ARG 18 2HH1 ARG 18 8.227 2.101 11.378 166 HH21 ARG 18 1HH2 ARG 18 8.820 5.154 13.024 167 HH22 ARG 18 2HH2 ARG 18 9.465 3.577 12.645 168 H HIS 19 H HIS 19 6.786 6.768 5.678 169 HA HIS 19 HA HIS 19 9.627 7.439 5.937 170 HB2 HIS 19 1HB HIS 19 8.211 5.689 3.923 171 HB3 HIS 19 2HB HIS 19 9.872 6.227 3.718 172 HD1 HIS 19 HD1 HIS 19 7.833 4.258 6.291 173 HD2 HIS 19 HD2 HIS 19 11.682 4.566 4.761 174 HE1 HIS 19 HE1 HIS 19 9.182 2.423 7.386 175 H GLN 20 H GLN 20 10.251 7.955 3.323 176 HA GLN 20 HA GLN 20 9.263 10.662 3.104 177 HB2 GLN 20 1HB GLN 20 11.243 9.134 1.405 178 HB3 GLN 20 2HB GLN 20 10.948 10.864 1.321 179 HG2 GLN 20 1HG GLN 20 11.830 11.178 3.522 180 HG3 GLN 20 2HG GLN 20 11.971 9.435 3.763 181 HE21 GLN 20 1HE2 GLN 20 14.039 11.490 3.878 182 HE22 GLN 20 2HE2 GLN 20 15.220 11.050 2.688 183 H ARG 21 H ARG 21 7.435 8.381 2.452 184 HA ARG 21 HA ARG 21 5.964 7.646 0.899 185 HB2 ARG 21 1HB ARG 21 6.652 10.295 -0.383 186 HB3 ARG 21 2HB ARG 21 5.446 9.206 -1.047 187 HG2 ARG 21 1HG ARG 21 4.232 9.341 1.132 188 HG3 ARG 21 2HG ARG 21 5.384 10.583 1.627 189 HD2 ARG 21 1HD ARG 21 4.704 11.983 -0.244 190 HD3 ARG 21 2HD ARG 21 3.593 10.731 -0.795 191 HE ARG 21 HE ARG 21 3.019 11.454 1.887 192 HH11 ARG 21 1HH1 ARG 21 2.637 12.571 -1.423 193 HH12 ARG 21 2HH1 ARG 21 1.263 13.566 -1.054 194 HH21 ARG 21 1HH2 ARG 21 1.232 12.782 2.368 195 HH22 ARG 21 2HH2 ARG 21 0.463 13.688 1.100 196 H ILE 22 H ILE 22 5.863 7.328 -1.745 197 HA ILE 22 HA ILE 22 8.468 6.701 -2.803 198 HB ILE 22 HB ILE 22 8.201 4.837 -1.288 199 HG12 ILE 22 1HG1 ILE 22 7.640 3.959 -4.128 200 HG13 ILE 22 2HG1 ILE 22 9.225 4.372 -3.479 201 HG21 ILE 22 1HG2 ILE 22 5.798 4.900 -1.014 202 HG22 ILE 22 2HG2 ILE 22 6.325 3.276 -1.455 203 HG23 ILE 22 3HG2 ILE 22 5.572 4.319 -2.663 204 HD11 ILE 22 3HD1 ILE 22 8.907 1.968 -3.591 205 HD12 ILE 22 1HD1 ILE 22 7.483 2.103 -2.558 206 HD13 ILE 22 2HD1 ILE 22 9.076 2.512 -1.921 207 H THR 23 H THR 23 8.422 6.158 -4.994 208 HA THR 23 HA THR 23 6.252 7.237 -6.452 209 HB THR 23 HB THR 23 7.768 5.974 -8.328 210 HG1 THR 23 HG1 THR 23 9.637 5.415 -7.483 211 HG21 THR 23 3HG2 THR 23 7.216 8.370 -8.247 212 HG22 THR 23 1HG2 THR 23 8.929 8.113 -8.579 213 HG23 THR 23 2HG2 THR 23 8.408 8.596 -6.966 214 H GLN 24 H GLN 24 5.128 6.133 -8.220 215 HA GLN 24 HA GLN 24 3.494 4.183 -7.044 216 HB2 GLN 24 1HB GLN 24 2.763 5.857 -8.688 217 HB3 GLN 24 2HB GLN 24 3.671 5.020 -9.937 218 HG2 GLN 24 1HG GLN 24 2.228 3.000 -9.411 219 HG3 GLN 24 2HG GLN 24 1.211 4.107 -8.489 220 HE21 GLN 24 1HE2 GLN 24 -0.558 3.913 -9.818 221 HE22 GLN 24 2HE2 GLN 24 -0.595 4.543 -11.432 222 H GLU 25 H GLU 25 5.895 3.845 -9.668 223 HA GLU 25 HA GLU 25 5.228 1.188 -10.320 224 HB2 GLU 25 1HB GLU 25 6.545 2.684 -11.787 225 HB3 GLU 25 2HB GLU 25 7.890 2.574 -10.659 226 HG2 GLU 25 1HG GLU 25 8.007 0.157 -11.060 227 HG3 GLU 25 2HG GLU 25 6.692 0.304 -12.227 228 H GLU 26 H GLU 26 7.846 2.486 -8.303 229 HA GLU 26 HA GLU 26 8.820 -0.014 -7.426 230 HB2 GLU 26 1HB GLU 26 9.007 2.745 -6.210 231 HB3 GLU 26 2HB GLU 26 9.875 1.347 -5.590 232 HG2 GLU 26 1HG GLU 26 11.275 1.232 -7.415 233 HG3 GLU 26 2HG GLU 26 10.149 2.096 -8.463 234 H LEU 27 H LEU 27 6.264 2.085 -6.271 235 HA LEU 27 HA LEU 27 5.716 0.827 -3.823 236 HB2 LEU 27 1HB LEU 27 4.764 3.000 -4.723 237 HB3 LEU 27 2HB LEU 27 3.695 2.037 -5.715 238 HG LEU 27 HG LEU 27 2.668 2.984 -3.632 239 HD11 LEU 27 1HD1 LEU 27 1.647 1.099 -4.776 240 HD12 LEU 27 2HD1 LEU 27 1.445 0.969 -3.030 241 HD13 LEU 27 3HD1 LEU 27 2.650 -0.019 -3.858 242 HD21 LEU 27 3HD2 LEU 27 3.143 1.877 -1.507 243 HD22 LEU 27 1HD2 LEU 27 4.572 2.693 -2.142 244 HD23 LEU 27 2HD2 LEU 27 4.423 0.941 -2.281 245 H HIS 28 H HIS 28 4.423 0.257 -7.082 246 HA HIS 28 HA HIS 28 2.701 -1.853 -6.332 247 HB2 HIS 28 1HB HIS 28 2.787 -0.396 -8.506 248 HB3 HIS 28 2HB HIS 28 3.880 -1.650 -9.082 249 HD1 HIS 28 HD1 HIS 28 2.446 -4.171 -8.007 250 HD2 HIS 28 HD2 HIS 28 0.511 -0.957 -9.800 251 HE1 HIS 28 HE1 HIS 28 0.228 -5.047 -8.825 252 H GLN 29 H GLN 29 6.014 -1.772 -7.540 253 HA GLN 29 HA GLN 29 6.432 -4.535 -7.804 254 HB2 GLN 29 1HB GLN 29 7.990 -2.861 -8.676 255 HB3 GLN 29 2HB GLN 29 8.368 -2.337 -7.042 256 HG2 GLN 29 1HG GLN 29 10.144 -3.711 -7.881 257 HG3 GLN 29 2HG GLN 29 9.318 -4.549 -6.570 258 HE21 GLN 29 1HE2 GLN 29 10.035 -6.547 -7.244 259 HE22 GLN 29 2HE2 GLN 29 9.412 -7.330 -8.664 260 H TYR 30 H TYR 30 6.722 -2.355 -5.065 261 HA TYR 30 HA TYR 30 7.858 -4.188 -3.234 262 HB2 TYR 30 1HB TYR 30 7.728 -1.606 -3.146 263 HB3 TYR 30 2HB TYR 30 6.118 -1.844 -2.483 264 HD1 TYR 30 HD1 TYR 30 9.679 -2.755 -1.910 265 HD2 TYR 30 HD2 TYR 30 5.845 -2.116 -0.186 266 HE1 TYR 30 HE1 TYR 30 10.668 -2.928 0.332 267 HE2 TYR 30 HE2 TYR 30 6.820 -2.297 2.066 268 HH TYR 30 HH TYR 30 10.191 -2.225 2.605 269 H ALA 31 H ALA 31 4.629 -3.590 -4.332 270 HA ALA 31 HA ALA 31 3.196 -4.658 -2.138 271 HB1 ALA 31 3HB ALA 31 2.379 -4.456 -5.037 272 HB2 ALA 31 1HB ALA 31 2.179 -3.194 -3.823 273 HB3 ALA 31 2HB ALA 31 1.297 -4.714 -3.669 274 H GLN 32 H GLN 32 3.973 -6.082 -5.326 275 HA GLN 32 HA GLN 32 3.008 -8.657 -4.623 276 HB2 GLN 32 1HB GLN 32 4.541 -7.523 -6.890 277 HB3 GLN 32 2HB GLN 32 4.650 -9.258 -6.632 278 HG2 GLN 32 1HG GLN 32 2.916 -8.837 -8.209 279 HG3 GLN 32 2HG GLN 32 2.181 -9.381 -6.704 280 HE21 GLN 32 1HE2 GLN 32 0.207 -8.477 -7.165 281 HE22 GLN 32 2HE2 GLN 32 -0.055 -6.763 -7.157 282 H ARG 33 H ARG 33 5.982 -7.033 -4.073 283 HA ARG 33 HA ARG 33 7.650 -9.279 -3.684 284 HB2 ARG 33 1HB ARG 33 8.576 -7.057 -4.029 285 HB3 ARG 33 2HB ARG 33 7.809 -6.474 -2.562 286 HG2 ARG 33 1HG ARG 33 10.148 -6.802 -2.160 287 HG3 ARG 33 2HG ARG 33 9.234 -8.000 -1.246 288 HD2 ARG 33 1HD ARG 33 10.386 -8.608 -3.952 289 HD3 ARG 33 2HD ARG 33 11.336 -8.784 -2.479 290 HE ARG 33 HE ARG 33 8.908 -10.159 -2.162 291 HH11 ARG 33 1HH1 ARG 33 11.908 -10.382 -3.949 292 HH12 ARG 33 2HH1 ARG 33 11.819 -12.108 -4.132 293 HH21 ARG 33 1HH2 ARG 33 8.806 -12.432 -2.357 294 HH22 ARG 33 2HH2 ARG 33 10.077 -13.277 -3.197 295 H LEU 34 H LEU 34 5.503 -7.483 -1.509 296 HA LEU 34 HA LEU 34 6.390 -9.178 0.688 297 HB2 LEU 34 1HB LEU 34 4.822 -6.623 0.634 298 HB3 LEU 34 2HB LEU 34 5.063 -7.571 2.082 299 HG LEU 34 HG LEU 34 7.169 -6.161 0.455 300 HD11 LEU 34 1HD1 LEU 34 7.583 -4.986 2.570 301 HD12 LEU 34 2HD1 LEU 34 6.239 -5.861 3.306 302 HD13 LEU 34 3HD1 LEU 34 5.942 -4.739 1.979 303 HD21 LEU 34 3HD2 LEU 34 7.529 -8.027 2.798 304 HD22 LEU 34 1HD2 LEU 34 8.795 -7.038 2.068 305 HD23 LEU 34 2HD2 LEU 34 8.038 -8.331 1.137 306 H GLY 35 H GLY 35 3.563 -8.613 -1.300 307 HA2 GLY 35 1HA GLY 35 2.123 -10.659 -1.373 308 HA3 GLY 35 2HA GLY 35 2.153 -10.605 0.382 309 H LEU 36 H LEU 36 1.721 -7.829 -1.792 310 HA LEU 36 HA LEU 36 -0.948 -7.425 -0.681 311 HB2 LEU 36 1HB LEU 36 0.714 -5.790 -2.596 312 HB3 LEU 36 2HB LEU 36 -0.955 -5.412 -2.223 313 HG LEU 36 HG LEU 36 1.370 -5.362 -0.300 314 HD11 LEU 36 1HD1 LEU 36 -0.427 -3.193 -1.363 315 HD12 LEU 36 2HD1 LEU 36 1.266 -3.448 -1.788 316 HD13 LEU 36 3HD1 LEU 36 0.828 -2.984 -0.144 317 HD21 LEU 36 3HD2 LEU 36 -0.639 -6.226 0.803 318 HD22 LEU 36 1HD2 LEU 36 -1.556 -4.838 0.217 319 HD23 LEU 36 2HD2 LEU 36 -0.241 -4.603 1.371 320 H ASN 37 H ASN 37 -2.743 -6.989 -2.161 321 HA ASN 37 HA ASN 37 -2.411 -8.131 -4.837 322 HB2 ASN 37 1HB ASN 37 -4.839 -8.808 -4.747 323 HB3 ASN 37 2HB ASN 37 -3.761 -9.751 -3.732 324 HD21 ASN 37 1HD2 ASN 37 -4.890 -6.534 -2.857 325 HD22 ASN 37 2HD2 ASN 37 -5.912 -7.058 -1.562 326 H GLU 38 H GLU 38 -4.251 -7.269 -6.298 327 HA GLU 38 HA GLU 38 -3.504 -4.593 -6.571 328 HB2 GLU 38 1HB GLU 38 -5.684 -6.138 -7.961 329 HB3 GLU 38 2HB GLU 38 -5.098 -4.558 -8.467 330 HG2 GLU 38 1HG GLU 38 -2.882 -5.471 -8.838 331 HG3 GLU 38 2HG GLU 38 -3.414 -7.050 -8.273 332 H GLU 39 H GLU 39 -6.466 -5.992 -5.265 333 HA GLU 39 HA GLU 39 -8.018 -3.688 -5.047 334 HB2 GLU 39 1HB GLU 39 -8.871 -5.909 -4.506 335 HB3 GLU 39 2HB GLU 39 -7.792 -5.998 -3.116 336 HG2 GLU 39 1HG GLU 39 -8.971 -4.190 -2.036 337 HG3 GLU 39 2HG GLU 39 -9.988 -3.966 -3.457 338 H ALA 40 H ALA 40 -5.763 -5.049 -2.687 339 HA ALA 40 HA ALA 40 -5.989 -3.054 -0.735 340 HB1 ALA 40 3HB ALA 40 -5.010 -5.251 -0.285 341 HB2 ALA 40 1HB ALA 40 -3.907 -3.956 0.178 342 HB3 ALA 40 2HB ALA 40 -3.634 -4.852 -1.316 343 H ILE 41 H ILE 41 -4.082 -3.247 -3.641 344 HA ILE 41 HA ILE 41 -2.245 -1.171 -2.945 345 HB ILE 41 HB ILE 41 -2.909 -2.084 -5.747 346 HG12 ILE 41 1HG1 ILE 41 -0.921 -3.301 -3.808 347 HG13 ILE 41 2HG1 ILE 41 -2.442 -4.048 -4.296 348 HG21 ILE 41 1HG2 ILE 41 -1.522 -0.085 -5.548 349 HG22 ILE 41 2HG2 ILE 41 -0.595 -1.436 -6.198 350 HG23 ILE 41 3HG2 ILE 41 -0.395 -0.961 -4.511 351 HD11 ILE 41 3HD1 ILE 41 -0.521 -4.989 -5.470 352 HD12 ILE 41 1HD1 ILE 41 -0.146 -3.400 -6.134 353 HD13 ILE 41 2HD1 ILE 41 -1.648 -4.209 -6.580 354 H ARG 42 H ARG 42 -5.254 -1.374 -4.770 355 HA ARG 42 HA ARG 42 -5.329 1.320 -5.628 356 HB2 ARG 42 1HB ARG 42 -6.727 -0.383 -6.663 357 HB3 ARG 42 2HB ARG 42 -7.575 -0.652 -5.147 358 HG2 ARG 42 1HG ARG 42 -8.402 1.676 -5.262 359 HG3 ARG 42 2HG ARG 42 -7.627 1.823 -6.841 360 HD2 ARG 42 1HD ARG 42 -9.024 0.104 -7.756 361 HD3 ARG 42 2HD ARG 42 -9.695 -0.260 -6.167 362 HE ARG 42 HE ARG 42 -10.202 2.431 -6.702 363 HH11 ARG 42 1HH1 ARG 42 -11.114 -0.698 -7.979 364 HH12 ARG 42 2HH1 ARG 42 -12.678 -0.164 -8.498 365 HH21 ARG 42 1HH2 ARG 42 -12.255 3.123 -7.346 366 HH22 ARG 42 2HH2 ARG 42 -13.326 2.011 -8.164 367 H GLN 43 H GLN 43 -6.273 -0.301 -2.675 368 HA GLN 43 HA GLN 43 -7.848 1.718 -1.520 369 HB2 GLN 43 1HB GLN 43 -6.077 -0.337 -0.185 370 HB3 GLN 43 2HB GLN 43 -7.246 0.663 0.661 371 HG2 GLN 43 1HG GLN 43 -9.037 -0.351 -0.715 372 HG3 GLN 43 2HG GLN 43 -7.829 -1.421 -1.429 373 HE21 GLN 43 1HE2 GLN 43 -9.630 -0.630 1.423 374 HE22 GLN 43 2HE2 GLN 43 -9.263 -2.064 2.314 375 H PHE 44 H PHE 44 -4.344 1.201 -1.496 376 HA PHE 44 HA PHE 44 -3.798 3.163 0.473 377 HB2 PHE 44 1HB PHE 44 -2.206 1.534 -1.441 378 HB3 PHE 44 2HB PHE 44 -1.438 2.902 -0.657 379 HD1 PHE 44 HD1 PHE 44 -1.343 2.987 1.845 380 HD2 PHE 44 HD2 PHE 44 -2.560 -0.492 -0.281 381 HE1 PHE 44 HE1 PHE 44 -0.942 1.622 3.855 382 HE2 PHE 44 HE2 PHE 44 -2.163 -1.861 1.723 383 HZ PHE 44 HZ PHE 44 -1.356 -0.802 3.797 384 H PHE 45 H PHE 45 -4.189 3.314 -2.990 385 HA PHE 45 HA PHE 45 -3.175 6.051 -3.017 386 HB2 PHE 45 1HB PHE 45 -4.202 4.273 -5.234 387 HB3 PHE 45 2HB PHE 45 -3.735 5.952 -5.480 388 HD1 PHE 45 HD1 PHE 45 -1.314 6.509 -4.479 389 HD2 PHE 45 HD2 PHE 45 -2.651 2.674 -5.746 390 HE1 PHE 45 HE1 PHE 45 1.020 5.823 -4.845 391 HE2 PHE 45 HE2 PHE 45 -0.320 1.981 -6.113 392 HZ PHE 45 HZ PHE 45 1.521 3.552 -5.659 393 H GLU 46 H GLU 46 -6.160 4.425 -4.044 394 HA GLU 46 HA GLU 46 -7.485 6.940 -4.432 395 HB2 GLU 46 1HB GLU 46 -8.034 5.289 -5.999 396 HB3 GLU 46 2HB GLU 46 -8.253 4.061 -4.763 397 HG2 GLU 46 1HG GLU 46 -10.280 5.129 -4.012 398 HG3 GLU 46 2HG GLU 46 -10.064 6.420 -5.205 399 H GLU 47 H GLU 47 -8.536 4.101 -2.561 400 HA GLU 47 HA GLU 47 -10.445 5.668 -1.116 401 HB2 GLU 47 1HB GLU 47 -9.740 2.845 -1.395 402 HB3 GLU 47 2HB GLU 47 -10.549 3.304 0.106 403 HG2 GLU 47 1HG GLU 47 -11.523 3.788 -2.699 404 HG3 GLU 47 2HG GLU 47 -12.149 2.634 -1.545 405 H PHE 48 H PHE 48 -7.491 6.062 -0.766 406 HA PHE 48 HA PHE 48 -7.007 5.447 2.029 407 HB2 PHE 48 1HB PHE 48 -5.317 5.265 0.121 408 HB3 PHE 48 2HB PHE 48 -5.275 7.020 0.125 409 HD1 PHE 48 HD1 PHE 48 -4.973 4.200 2.550 410 HD2 PHE 48 HD2 PHE 48 -3.582 8.011 1.269 411 HE1 PHE 48 HE1 PHE 48 -3.211 4.125 4.262 412 HE2 PHE 48 HE2 PHE 48 -1.810 7.936 2.970 413 HZ PHE 48 HZ PHE 48 -1.623 5.995 4.471 414 H GLU 49 H GLU 49 -7.268 8.249 -0.100 415 HA GLU 49 HA GLU 49 -8.569 9.891 1.778 416 HB2 GLU 49 1HB GLU 49 -6.807 11.567 2.190 417 HB3 GLU 49 2HB GLU 49 -6.412 10.006 2.897 418 HG2 GLU 49 1HG GLU 49 -4.835 9.541 1.174 419 HG3 GLU 49 2HG GLU 49 -5.344 10.955 0.252 420 H GLN 50 H GLN 50 -6.709 9.548 -1.149 421 HA GLN 50 HA GLN 50 -7.623 12.089 -2.230 422 HB2 GLN 50 1HB GLN 50 -5.840 9.958 -3.436 423 HB3 GLN 50 2HB GLN 50 -6.103 11.572 -4.086 424 HG2 GLN 50 1HG GLN 50 -5.008 12.580 -2.223 425 HG3 GLN 50 2HG GLN 50 -4.920 11.038 -1.374 426 HE21 GLN 50 1HE2 GLN 50 -4.204 9.585 -3.820 427 HE22 GLN 50 2HE2 GLN 50 -2.545 9.969 -4.133 428 H ARG 51 H ARG 51 -9.598 10.256 -1.677 429 HA ARG 51 HA ARG 51 -10.329 8.875 -4.111 430 HB2 ARG 51 1HB ARG 51 -12.336 8.152 -2.674 431 HB3 ARG 51 2HB ARG 51 -10.756 7.520 -2.265 432 HG2 ARG 51 1HG ARG 51 -10.537 9.195 -0.544 433 HG3 ARG 51 2HG ARG 51 -12.159 9.788 -0.909 434 HD2 ARG 51 1HD ARG 51 -13.099 7.666 -0.336 435 HD3 ARG 51 2HD ARG 51 -11.500 6.967 -0.133 436 HE ARG 51 HE ARG 51 -11.793 9.181 1.593 437 HH11 ARG 51 1HH1 ARG 51 -12.915 5.882 1.192 438 HH12 ARG 51 2HH1 ARG 51 -13.124 5.618 2.902 439 HH21 ARG 51 1HH2 ARG 51 -12.053 8.814 3.839 440 HH22 ARG 51 2HH2 ARG 51 -12.628 7.269 4.398 441 H LYS 52 H LYS 52 -12.333 9.150 -5.144 442 HA LYS 52 HA LYS 52 -13.730 10.471 -6.341 443 HB2 LYS 52 1HB LYS 52 -15.637 11.322 -4.983 444 HB3 LYS 52 2HB LYS 52 -15.223 9.646 -4.675 445 HG2 LYS 52 1HG LYS 52 -13.976 10.429 -2.641 446 HG3 LYS 52 2HG LYS 52 -14.659 12.029 -2.927 447 HD2 LYS 52 1HD LYS 52 -16.013 10.874 -1.306 448 HD3 LYS 52 2HD LYS 52 -16.928 11.023 -2.809 449 HE2 LYS 52 1HE LYS 52 -16.235 8.717 -3.396 450 HE3 LYS 52 2HE LYS 52 -15.449 8.590 -1.824 451 HZ1 LYS 52 3HZ LYS 52 -17.612 8.966 -0.777 452 HZ2 LYS 52 1HZ LYS 52 -17.616 7.585 -1.756 453 HZ3 LYS 52 2HZ LYS 52 -18.350 9.011 -2.302 Start of MODEL 34 1 H1 MET 1 1H MET 1 -14.021 -7.505 4.998 2 H2 MET 1 2H MET 1 -12.763 -6.743 4.157 3 H3 MET 1 3H MET 1 -12.586 -7.091 5.803 4 HA MET 1 HA MET 1 -12.582 -9.425 5.390 5 HB2 MET 1 1HB MET 1 -14.167 -9.302 3.469 6 HB3 MET 1 2HB MET 1 -12.878 -8.641 2.476 7 HG2 MET 1 1HG MET 1 -11.618 -10.700 2.701 8 HG3 MET 1 2HG MET 1 -12.866 -11.364 3.756 9 HE1 MET 1 3HE MET 1 -15.909 -11.688 1.313 10 HE2 MET 1 1HE MET 1 -15.530 -10.306 2.342 11 HE3 MET 1 2HE MET 1 -15.322 -11.947 2.956 12 H LYS 2 H LYS 2 -10.597 -10.572 4.588 13 HA LYS 2 HA LYS 2 -8.398 -8.649 4.507 14 HB2 LYS 2 1HB LYS 2 -8.513 -10.546 6.182 15 HB3 LYS 2 2HB LYS 2 -8.207 -11.640 4.841 16 HG2 LYS 2 1HG LYS 2 -6.063 -10.622 4.439 17 HG3 LYS 2 2HG LYS 2 -6.381 -9.390 5.662 18 HD2 LYS 2 1HD LYS 2 -6.068 -12.357 6.121 19 HD3 LYS 2 2HD LYS 2 -4.932 -11.088 6.585 20 HE2 LYS 2 1HE LYS 2 -6.605 -10.142 8.098 21 HE3 LYS 2 2HE LYS 2 -7.748 -11.400 7.629 22 HZ1 LYS 2 3HZ LYS 2 -6.828 -12.140 9.619 23 HZ2 LYS 2 1HZ LYS 2 -5.250 -11.673 9.196 24 HZ3 LYS 2 2HZ LYS 2 -5.979 -13.012 8.442 25 H GLN 3 H GLN 3 -7.868 -8.020 2.546 26 HA GLN 3 HA GLN 3 -7.835 -9.967 0.338 27 HB2 GLN 3 1HB GLN 3 -7.924 -6.955 0.337 28 HB3 GLN 3 2HB GLN 3 -7.441 -7.855 -1.087 29 HG2 GLN 3 1HG GLN 3 -9.666 -7.467 -1.472 30 HG3 GLN 3 2HG GLN 3 -9.688 -9.087 -0.781 31 HE21 GLN 3 1HE2 GLN 3 -11.831 -8.844 -0.152 32 HE22 GLN 3 2HE2 GLN 3 -12.285 -7.840 1.189 33 H TRP 4 H TRP 4 -5.943 -7.281 1.634 34 HA TRP 4 HA TRP 4 -3.491 -8.253 0.510 35 HB2 TRP 4 1HB TRP 4 -2.691 -6.518 2.435 36 HB3 TRP 4 2HB TRP 4 -3.168 -6.029 0.819 37 HD1 TRP 4 HD1 TRP 4 -4.868 -4.129 0.782 38 HE1 TRP 4 HE1 TRP 4 -6.651 -3.193 2.383 39 HE3 TRP 4 HE3 TRP 4 -4.402 -7.508 4.584 40 HZ2 TRP 4 HZ2 TRP 4 -7.705 -3.794 4.920 41 HZ3 TRP 4 HZ3 TRP 4 -5.834 -7.254 6.566 42 HH2 TRP 4 HH2 TRP 4 -7.452 -5.434 6.731 43 H SER 5 H SER 5 -1.611 -8.553 2.083 44 HA SER 5 HA SER 5 -2.332 -10.435 4.122 45 HB2 SER 5 1HB SER 5 -0.169 -10.641 2.927 46 HB3 SER 5 2HB SER 5 0.344 -9.102 3.620 47 HG SER 5 HG SER 5 -0.560 -11.052 5.400 48 H GLU 6 H GLU 6 -3.082 -9.888 5.987 49 HA GLU 6 HA GLU 6 -3.823 -7.562 7.004 50 HB2 GLU 6 1HB GLU 6 -4.194 -9.793 8.000 51 HB3 GLU 6 2HB GLU 6 -2.566 -9.750 8.653 52 HG2 GLU 6 1HG GLU 6 -3.145 -7.846 10.036 53 HG3 GLU 6 2HG GLU 6 -4.771 -7.828 9.348 54 H ASN 7 H ASN 7 -0.501 -8.796 7.488 55 HA ASN 7 HA ASN 7 0.214 -6.580 9.179 56 HB2 ASN 7 1HB ASN 7 1.883 -8.737 7.894 57 HB3 ASN 7 2HB ASN 7 2.514 -7.544 9.023 58 HD21 ASN 7 1HD2 ASN 7 1.861 -7.618 11.187 59 HD22 ASN 7 2HD2 ASN 7 1.188 -9.058 11.878 60 H VAL 8 H VAL 8 0.273 -7.164 5.793 61 HA VAL 8 HA VAL 8 2.407 -5.395 5.150 62 HB VAL 8 HB VAL 8 0.129 -6.345 3.395 63 HG11 VAL 8 1HG1 VAL 8 2.772 -5.100 2.655 64 HG12 VAL 8 2HG1 VAL 8 1.195 -4.319 2.539 65 HG13 VAL 8 3HG1 VAL 8 1.563 -5.717 1.533 66 HG21 VAL 8 3HG2 VAL 8 2.949 -7.377 3.731 67 HG22 VAL 8 1HG2 VAL 8 1.777 -7.955 2.547 68 HG23 VAL 8 2HG2 VAL 8 1.474 -8.180 4.269 69 H GLU 9 H GLU 9 -1.083 -5.033 5.474 70 HA GLU 9 HA GLU 9 -1.600 -2.502 4.645 71 HB2 GLU 9 1HB GLU 9 -3.287 -3.862 5.707 72 HB3 GLU 9 2HB GLU 9 -2.428 -3.812 7.241 73 HG2 GLU 9 1HG GLU 9 -2.786 -1.308 7.205 74 HG3 GLU 9 2HG GLU 9 -3.892 -1.583 5.861 75 H GLU 10 H GLU 10 -0.243 -3.326 7.823 76 HA GLU 10 HA GLU 10 0.145 -0.744 8.779 77 HB2 GLU 10 1HB GLU 10 0.364 -2.407 10.387 78 HB3 GLU 10 2HB GLU 10 1.419 -3.395 9.380 79 HG2 GLU 10 1HG GLU 10 3.202 -1.701 9.666 80 HG3 GLU 10 2HG GLU 10 2.146 -0.811 10.764 81 H LYS 11 H LYS 11 2.481 -2.864 7.115 82 HA LYS 11 HA LYS 11 4.553 -0.925 7.380 83 HB2 LYS 11 1HB LYS 11 4.989 -3.336 7.386 84 HB3 LYS 11 2HB LYS 11 4.484 -3.430 5.703 85 HG2 LYS 11 1HG LYS 11 6.345 -2.168 4.972 86 HG3 LYS 11 2HG LYS 11 6.759 -1.691 6.617 87 HD2 LYS 11 1HD LYS 11 6.767 -4.567 5.734 88 HD3 LYS 11 2HD LYS 11 8.169 -3.520 5.525 89 HE2 LYS 11 1HE LYS 11 8.532 -4.675 7.543 90 HE3 LYS 11 2HE LYS 11 8.024 -3.056 8.010 91 HZ1 LYS 11 3HZ LYS 11 5.773 -3.953 8.348 92 HZ2 LYS 11 1HZ LYS 11 6.916 -4.667 9.369 93 HZ3 LYS 11 2HZ LYS 11 6.347 -5.510 8.014 94 H LEU 12 H LEU 12 2.209 -1.644 4.894 95 HA LEU 12 HA LEU 12 3.488 -0.100 2.859 96 HB2 LEU 12 1HB LEU 12 0.957 -1.495 3.219 97 HB3 LEU 12 2HB LEU 12 0.772 0.005 2.332 98 HG LEU 12 HG LEU 12 1.124 -2.109 0.963 99 HD11 LEU 12 1HD1 LEU 12 1.355 0.127 0.029 100 HD12 LEU 12 2HD1 LEU 12 2.536 -0.983 -0.664 101 HD13 LEU 12 3HD1 LEU 12 3.037 0.177 0.564 102 HD21 LEU 12 3HD2 LEU 12 3.100 -2.757 2.561 103 HD22 LEU 12 1HD2 LEU 12 4.043 -1.766 1.449 104 HD23 LEU 12 2HD2 LEU 12 3.154 -3.163 0.844 105 H LYS 13 H LYS 13 1.104 0.598 5.366 106 HA LYS 13 HA LYS 13 0.675 3.303 4.854 107 HB2 LYS 13 1HB LYS 13 -0.619 2.383 6.579 108 HB3 LYS 13 2HB LYS 13 0.775 1.659 7.364 109 HG2 LYS 13 1HG LYS 13 1.527 4.045 7.848 110 HG3 LYS 13 2HG LYS 13 -0.113 4.519 7.397 111 HD2 LYS 13 1HD LYS 13 -1.066 3.251 9.147 112 HD3 LYS 13 2HD LYS 13 0.453 2.402 9.458 113 HE2 LYS 13 1HE LYS 13 0.052 4.085 11.172 114 HE3 LYS 13 2HE LYS 13 1.465 4.514 10.204 115 HZ1 LYS 13 3HZ LYS 13 -1.245 5.595 9.663 116 HZ2 LYS 13 1HZ LYS 13 0.233 6.154 9.055 117 HZ3 LYS 13 2HZ LYS 13 -0.147 6.369 10.694 118 H GLU 14 H GLU 14 3.186 1.742 6.781 119 HA GLU 14 HA GLU 14 4.634 4.046 7.447 120 HB2 GLU 14 1HB GLU 14 5.579 1.191 7.111 121 HB3 GLU 14 2HB GLU 14 6.492 2.470 7.904 122 HG2 GLU 14 1HG GLU 14 3.775 1.543 8.812 123 HG3 GLU 14 2HG GLU 14 5.299 0.917 9.449 124 H PHE 15 H PHE 15 4.951 1.790 4.735 125 HA PHE 15 HA PHE 15 7.371 2.888 3.782 126 HB2 PHE 15 1HB PHE 15 6.614 0.565 3.399 127 HB3 PHE 15 2HB PHE 15 5.342 1.173 2.353 128 HD1 PHE 15 HD1 PHE 15 9.041 1.282 2.744 129 HD2 PHE 15 HD2 PHE 15 5.728 1.242 0.074 130 HE1 PHE 15 HE1 PHE 15 10.587 1.134 0.837 131 HE2 PHE 15 HE2 PHE 15 7.270 1.092 -1.839 132 HZ PHE 15 HZ PHE 15 9.702 1.039 -1.457 133 H VAL 16 H VAL 16 3.987 3.549 3.076 134 HA VAL 16 HA VAL 16 4.665 5.244 0.825 135 HB VAL 16 HB VAL 16 2.014 4.830 2.227 136 HG11 VAL 16 1HG1 VAL 16 2.630 6.317 -0.328 137 HG12 VAL 16 2HG1 VAL 16 2.089 7.034 1.190 138 HG13 VAL 16 3HG1 VAL 16 1.017 5.961 0.288 139 HG21 VAL 16 3HG2 VAL 16 2.812 2.853 1.071 140 HG22 VAL 16 1HG2 VAL 16 3.068 3.792 -0.400 141 HG23 VAL 16 2HG2 VAL 16 1.434 3.550 0.220 142 H LYS 17 H LYS 17 3.395 5.724 4.119 143 HA LYS 17 HA LYS 17 3.356 8.596 3.697 144 HB2 LYS 17 1HB LYS 17 2.669 7.071 6.207 145 HB3 LYS 17 2HB LYS 17 2.260 8.738 5.837 146 HG2 LYS 17 1HG LYS 17 1.220 6.320 4.376 147 HG3 LYS 17 2HG LYS 17 0.345 7.230 5.603 148 HD2 LYS 17 1HD LYS 17 1.342 8.358 2.985 149 HD3 LYS 17 2HD LYS 17 -0.308 7.815 3.284 150 HE2 LYS 17 1HE LYS 17 -0.556 9.518 5.024 151 HE3 LYS 17 2HE LYS 17 1.103 10.048 4.747 152 HZ1 LYS 17 3HZ LYS 17 0.526 10.720 2.537 153 HZ2 LYS 17 1HZ LYS 17 -0.566 11.440 3.618 154 HZ3 LYS 17 2HZ LYS 17 -1.040 10.096 2.694 155 H ARG 18 H ARG 18 5.041 6.284 5.799 156 HA ARG 18 HA ARG 18 6.483 8.503 7.028 157 HB2 ARG 18 1HB ARG 18 6.076 5.628 7.820 158 HB3 ARG 18 2HB ARG 18 7.231 6.674 8.641 159 HG2 ARG 18 1HG ARG 18 5.434 8.220 9.224 160 HG3 ARG 18 2HG ARG 18 4.274 7.196 8.382 161 HD2 ARG 18 1HD ARG 18 4.526 5.447 9.963 162 HD3 ARG 18 2HD ARG 18 5.949 6.205 10.679 163 HE ARG 18 HE ARG 18 4.073 8.072 11.118 164 HH11 ARG 18 1HH1 ARG 18 3.947 4.596 11.589 165 HH12 ARG 18 2HH1 ARG 18 2.951 4.700 13.015 166 HH21 ARG 18 1HH2 ARG 18 2.726 8.201 12.972 167 HH22 ARG 18 2HH2 ARG 18 2.254 6.738 13.796 168 H HIS 19 H HIS 19 6.999 6.743 4.383 169 HA HIS 19 HA HIS 19 9.919 6.722 4.799 170 HB2 HIS 19 1HB HIS 19 8.151 5.134 2.971 171 HB3 HIS 19 2HB HIS 19 9.824 5.430 2.517 172 HD1 HIS 19 HD1 HIS 19 11.177 3.410 3.046 173 HD2 HIS 19 HD2 HIS 19 8.256 4.140 5.919 174 HE1 HIS 19 HE1 HIS 19 11.425 1.600 4.795 175 H GLN 20 H GLN 20 7.994 8.949 4.147 176 HA GLN 20 HA GLN 20 8.057 10.900 3.005 177 HB2 GLN 20 1HB GLN 20 10.770 9.806 2.370 178 HB3 GLN 20 2HB GLN 20 10.206 11.243 1.535 179 HG2 GLN 20 1HG GLN 20 11.377 12.139 3.289 180 HG3 GLN 20 2HG GLN 20 9.734 12.146 3.913 181 HE21 GLN 20 1HE2 GLN 20 12.313 12.167 5.285 182 HE22 GLN 20 2HE2 GLN 20 12.307 10.803 6.354 183 H ARG 21 H ARG 21 6.886 8.477 1.840 184 HA ARG 21 HA ARG 21 5.679 7.931 0.013 185 HB2 ARG 21 1HB ARG 21 6.476 10.716 -0.741 186 HB3 ARG 21 2HB ARG 21 5.674 9.692 -1.919 187 HG2 ARG 21 1HG ARG 21 4.046 11.069 -0.848 188 HG3 ARG 21 2HG ARG 21 3.807 9.405 -0.315 189 HD2 ARG 21 1HD ARG 21 3.611 11.023 1.520 190 HD3 ARG 21 2HD ARG 21 4.925 9.879 1.776 191 HE ARG 21 HE ARG 21 6.005 12.124 0.526 192 HH11 ARG 21 1HH1 ARG 21 4.374 11.390 3.535 193 HH12 ARG 21 2HH1 ARG 21 5.261 12.567 4.456 194 HH21 ARG 21 1HH2 ARG 21 7.205 13.640 1.735 195 HH22 ARG 21 2HH2 ARG 21 6.891 13.832 3.435 196 H ILE 22 H ILE 22 5.903 7.664 -2.506 197 HA ILE 22 HA ILE 22 8.528 7.365 -3.539 198 HB ILE 22 HB ILE 22 8.587 5.576 -1.835 199 HG12 ILE 22 1HG1 ILE 22 8.473 4.384 -4.609 200 HG13 ILE 22 2HG1 ILE 22 9.811 5.364 -4.022 201 HG21 ILE 22 1HG2 ILE 22 6.240 5.021 -1.732 202 HG22 ILE 22 2HG2 ILE 22 7.180 3.578 -2.108 203 HG23 ILE 22 3HG2 ILE 22 6.285 4.402 -3.384 204 HD11 ILE 22 3HD1 ILE 22 10.237 3.726 -2.264 205 HD12 ILE 22 1HD1 ILE 22 10.319 2.999 -3.869 206 HD13 ILE 22 2HD1 ILE 22 8.895 2.749 -2.858 207 H THR 23 H THR 23 8.516 6.608 -5.708 208 HA THR 23 HA THR 23 6.221 7.142 -7.208 209 HB THR 23 HB THR 23 7.510 5.874 -9.052 210 HG1 THR 23 HG1 THR 23 9.587 6.073 -7.093 211 HG21 THR 23 3HG2 THR 23 7.472 8.314 -8.846 212 HG22 THR 23 1HG2 THR 23 9.073 7.748 -9.326 213 HG23 THR 23 2HG2 THR 23 8.776 8.240 -7.659 214 H GLN 24 H GLN 24 4.880 5.816 -8.442 215 HA GLN 24 HA GLN 24 3.715 3.714 -7.007 216 HB2 GLN 24 1HB GLN 24 2.605 5.223 -8.685 217 HB3 GLN 24 2HB GLN 24 3.375 4.284 -9.954 218 HG2 GLN 24 1HG GLN 24 2.177 2.303 -9.257 219 HG3 GLN 24 2HG GLN 24 1.458 3.185 -7.911 220 HE21 GLN 24 1HE2 GLN 24 1.454 2.676 -11.340 221 HE22 GLN 24 2HE2 GLN 24 -0.026 3.519 -11.665 222 H GLU 25 H GLU 25 6.102 3.697 -9.566 223 HA GLU 25 HA GLU 25 6.008 1.029 -10.359 224 HB2 GLU 25 1HB GLU 25 7.381 2.762 -11.449 225 HB3 GLU 25 2HB GLU 25 8.440 2.793 -10.046 226 HG2 GLU 25 1HG GLU 25 8.979 0.408 -10.465 227 HG3 GLU 25 2HG GLU 25 8.027 0.498 -11.946 228 H GLU 26 H GLU 26 8.269 2.433 -7.983 229 HA GLU 26 HA GLU 26 9.161 -0.081 -7.034 230 HB2 GLU 26 1HB GLU 26 9.439 2.744 -6.064 231 HB3 GLU 26 2HB GLU 26 10.009 1.405 -5.078 232 HG2 GLU 26 1HG GLU 26 10.861 1.661 -7.931 233 HG3 GLU 26 2HG GLU 26 11.651 2.602 -6.667 234 H LEU 27 H LEU 27 6.509 1.983 -6.208 235 HA LEU 27 HA LEU 27 5.866 0.873 -3.699 236 HB2 LEU 27 1HB LEU 27 4.964 2.999 -4.790 237 HB3 LEU 27 2HB LEU 27 3.909 1.956 -5.724 238 HG LEU 27 HG LEU 27 2.857 3.037 -3.708 239 HD11 LEU 27 1HD1 LEU 27 1.644 1.041 -3.009 240 HD12 LEU 27 2HD1 LEU 27 2.869 0.023 -3.769 241 HD13 LEU 27 3HD1 LEU 27 1.863 1.079 -4.759 242 HD21 LEU 27 3HD2 LEU 27 4.787 2.811 -2.205 243 HD22 LEU 27 1HD2 LEU 27 4.579 1.060 -2.218 244 HD23 LEU 27 2HD2 LEU 27 3.328 2.092 -1.521 245 H HIS 28 H HIS 28 4.684 0.136 -6.991 246 HA HIS 28 HA HIS 28 3.099 -2.070 -6.200 247 HB2 HIS 28 1HB HIS 28 2.914 -0.818 -8.400 248 HB3 HIS 28 2HB HIS 28 4.349 -1.692 -8.931 249 HD1 HIS 28 HD1 HIS 28 4.004 -4.470 -8.704 250 HD2 HIS 28 HD2 HIS 28 0.626 -2.070 -9.017 251 HE1 HIS 28 HE1 HIS 28 2.096 -6.008 -9.280 252 H GLN 29 H GLN 29 6.429 -1.758 -7.296 253 HA GLN 29 HA GLN 29 7.180 -4.424 -7.453 254 HB2 GLN 29 1HB GLN 29 8.689 -2.656 -8.112 255 HB3 GLN 29 2HB GLN 29 8.720 -2.011 -6.479 256 HG2 GLN 29 1HG GLN 29 10.763 -3.155 -6.850 257 HG3 GLN 29 2HG GLN 29 9.802 -4.116 -5.729 258 HE21 GLN 29 1HE2 GLN 29 8.952 -6.085 -6.411 259 HE22 GLN 29 2HE2 GLN 29 9.520 -6.890 -7.842 260 H TYR 30 H TYR 30 6.919 -2.303 -4.658 261 HA TYR 30 HA TYR 30 7.873 -4.242 -2.778 262 HB2 TYR 30 1HB TYR 30 8.004 -1.697 -2.595 263 HB3 TYR 30 2HB TYR 30 6.298 -1.739 -2.171 264 HD1 TYR 30 HD1 TYR 30 9.573 -3.196 -1.141 265 HD2 TYR 30 HD2 TYR 30 5.699 -1.918 0.060 266 HE1 TYR 30 HE1 TYR 30 10.189 -3.569 1.210 267 HE2 TYR 30 HE2 TYR 30 6.303 -2.281 2.415 268 HH TYR 30 HH TYR 30 9.449 -2.670 3.469 269 H ALA 31 H ALA 31 4.790 -3.342 -4.124 270 HA ALA 31 HA ALA 31 3.134 -4.386 -2.063 271 HB1 ALA 31 3HB ALA 31 1.331 -4.224 -3.714 272 HB2 ALA 31 1HB ALA 31 2.518 -3.943 -4.987 273 HB3 ALA 31 2HB ALA 31 2.311 -2.758 -3.697 274 H GLN 32 H GLN 32 4.096 -5.638 -5.236 275 HA GLN 32 HA GLN 32 2.936 -8.205 -4.850 276 HB2 GLN 32 1HB GLN 32 3.356 -7.294 -7.066 277 HB3 GLN 32 2HB GLN 32 5.082 -7.241 -6.750 278 HG2 GLN 32 1HG GLN 32 5.190 -9.643 -6.693 279 HG3 GLN 32 2HG GLN 32 3.436 -9.755 -6.853 280 HE21 GLN 32 1HE2 GLN 32 3.269 -7.588 -8.765 281 HE22 GLN 32 2HE2 GLN 32 3.867 -8.207 -10.265 282 H ARG 33 H ARG 33 5.859 -6.741 -3.814 283 HA ARG 33 HA ARG 33 7.397 -9.103 -3.473 284 HB2 ARG 33 1HB ARG 33 8.498 -6.954 -3.624 285 HB3 ARG 33 2HB ARG 33 7.628 -6.363 -2.218 286 HG2 ARG 33 1HG ARG 33 9.860 -6.853 -1.557 287 HG3 ARG 33 2HG ARG 33 8.806 -8.076 -0.849 288 HD2 ARG 33 1HD ARG 33 10.864 -9.055 -1.740 289 HD3 ARG 33 2HD ARG 33 9.448 -9.657 -2.590 290 HE ARG 33 HE ARG 33 10.896 -7.410 -3.773 291 HH11 ARG 33 1HH1 ARG 33 10.134 -10.828 -3.792 292 HH12 ARG 33 2HH1 ARG 33 10.758 -11.094 -5.394 293 HH21 ARG 33 1HH2 ARG 33 11.735 -7.761 -5.890 294 HH22 ARG 33 2HH2 ARG 33 11.651 -9.356 -6.580 295 H LEU 34 H LEU 34 5.230 -7.261 -1.346 296 HA LEU 34 HA LEU 34 5.816 -9.100 0.836 297 HB2 LEU 34 1HB LEU 34 4.165 -6.591 0.712 298 HB3 LEU 34 2HB LEU 34 4.261 -7.607 2.135 299 HG LEU 34 HG LEU 34 6.501 -6.049 0.859 300 HD11 LEU 34 1HD1 LEU 34 5.202 -5.889 3.574 301 HD12 LEU 34 2HD1 LEU 34 5.008 -4.740 2.250 302 HD13 LEU 34 3HD1 LEU 34 6.577 -4.928 3.028 303 HD21 LEU 34 3HD2 LEU 34 7.933 -6.935 2.636 304 HD22 LEU 34 1HD2 LEU 34 7.350 -8.213 1.570 305 HD23 LEU 34 2HD2 LEU 34 6.622 -7.992 3.161 306 H GLY 35 H GLY 35 3.383 -8.640 -1.571 307 HA2 GLY 35 1HA GLY 35 2.167 -10.776 -1.947 308 HA3 GLY 35 2HA GLY 35 1.850 -10.783 -0.223 309 H LEU 36 H LEU 36 1.589 -8.000 -2.412 310 HA LEU 36 HA LEU 36 -1.266 -7.908 -1.733 311 HB2 LEU 36 1HB LEU 36 0.383 -5.757 -3.059 312 HB3 LEU 36 2HB LEU 36 -1.247 -5.610 -2.429 313 HG LEU 36 HG LEU 36 1.257 -6.022 -0.795 314 HD11 LEU 36 1HD1 LEU 36 0.731 -3.790 0.078 315 HD12 LEU 36 2HD1 LEU 36 -0.618 -3.671 -1.053 316 HD13 LEU 36 3HD1 LEU 36 1.037 -3.761 -1.658 317 HD21 LEU 36 3HD2 LEU 36 -1.610 -5.738 0.087 318 HD22 LEU 36 1HD2 LEU 36 -0.201 -5.803 1.144 319 HD23 LEU 36 2HD2 LEU 36 -0.639 -7.208 0.174 320 H ASN 37 H ASN 37 -2.780 -8.267 -3.210 321 HA ASN 37 HA ASN 37 -2.029 -8.430 -6.024 322 HB2 ASN 37 1HB ASN 37 -4.119 -9.458 -6.459 323 HB3 ASN 37 2HB ASN 37 -3.558 -10.167 -4.956 324 HD21 ASN 37 1HD2 ASN 37 -4.335 -7.924 -3.280 325 HD22 ASN 37 2HD2 ASN 37 -6.059 -7.983 -3.191 326 H GLU 38 H GLU 38 -3.374 -7.246 -7.621 327 HA GLU 38 HA GLU 38 -3.092 -4.540 -7.210 328 HB2 GLU 38 1HB GLU 38 -4.968 -5.857 -9.172 329 HB3 GLU 38 2HB GLU 38 -4.362 -4.209 -9.271 330 HG2 GLU 38 1HG GLU 38 -2.941 -5.267 -10.716 331 HG3 GLU 38 2HG GLU 38 -2.024 -5.383 -9.213 332 H GLU 39 H GLU 39 -5.993 -6.469 -6.644 333 HA GLU 39 HA GLU 39 -7.825 -4.434 -6.142 334 HB2 GLU 39 1HB GLU 39 -8.702 -6.601 -6.171 335 HB3 GLU 39 2HB GLU 39 -7.464 -7.216 -5.088 336 HG2 GLU 39 1HG GLU 39 -9.692 -7.134 -4.057 337 HG3 GLU 39 2HG GLU 39 -8.508 -6.154 -3.201 338 H ALA 40 H ALA 40 -5.650 -6.067 -3.859 339 HA ALA 40 HA ALA 40 -6.376 -4.432 -1.646 340 HB1 ALA 40 3HB ALA 40 -5.457 -6.691 -1.378 341 HB2 ALA 40 1HB ALA 40 -4.519 -5.490 -0.490 342 HB3 ALA 40 2HB ALA 40 -3.912 -6.129 -2.018 343 H ILE 41 H ILE 41 -3.989 -4.205 -4.171 344 HA ILE 41 HA ILE 41 -2.356 -2.223 -2.984 345 HB ILE 41 HB ILE 41 -2.846 -2.714 -5.931 346 HG12 ILE 41 1HG1 ILE 41 -0.749 -3.844 -4.063 347 HG13 ILE 41 2HG1 ILE 41 -2.090 -4.737 -4.781 348 HG21 ILE 41 1HG2 ILE 41 -0.594 -1.300 -4.504 349 HG22 ILE 41 2HG2 ILE 41 -1.813 -0.562 -5.544 350 HG23 ILE 41 3HG2 ILE 41 -0.629 -1.675 -6.227 351 HD11 ILE 41 3HD1 ILE 41 0.209 -3.480 -6.267 352 HD12 ILE 41 1HD1 ILE 41 -1.135 -4.355 -7.002 353 HD13 ILE 41 2HD1 ILE 41 -0.011 -5.199 -5.935 354 H ARG 42 H ARG 42 -5.002 -2.009 -5.363 355 HA ARG 42 HA ARG 42 -5.111 0.811 -5.332 356 HB2 ARG 42 1HB ARG 42 -6.036 -0.443 -7.193 357 HB3 ARG 42 2HB ARG 42 -7.217 -1.154 -6.113 358 HG2 ARG 42 1HG ARG 42 -8.206 0.984 -5.699 359 HG3 ARG 42 2HG ARG 42 -6.993 1.768 -6.703 360 HD2 ARG 42 1HD ARG 42 -7.865 0.629 -8.662 361 HD3 ARG 42 2HD ARG 42 -9.041 -0.230 -7.660 362 HE ARG 42 HE ARG 42 -9.271 2.558 -7.262 363 HH11 ARG 42 1HH1 ARG 42 -9.998 0.126 -9.672 364 HH12 ARG 42 2HH1 ARG 42 -11.396 0.973 -10.271 365 HH21 ARG 42 1HH2 ARG 42 -11.064 3.662 -8.025 366 HH22 ARG 42 2HH2 ARG 42 -11.995 2.995 -9.334 367 H GLN 43 H GLN 43 -6.785 -1.673 -3.520 368 HA GLN 43 HA GLN 43 -8.754 -0.252 -2.226 369 HB2 GLN 43 1HB GLN 43 -8.519 -2.667 -2.013 370 HB3 GLN 43 2HB GLN 43 -6.993 -2.476 -1.148 371 HG2 GLN 43 1HG GLN 43 -8.141 -1.459 0.714 372 HG3 GLN 43 2HG GLN 43 -9.672 -1.518 -0.158 373 HE21 GLN 43 1HE2 GLN 43 -9.189 -4.146 -1.278 374 HE22 GLN 43 2HE2 GLN 43 -9.380 -5.266 0.031 375 H PHE 44 H PHE 44 -5.323 -0.409 -1.507 376 HA PHE 44 HA PHE 44 -5.473 0.901 0.998 377 HB2 PHE 44 1HB PHE 44 -3.578 -0.556 -0.043 378 HB3 PHE 44 2HB PHE 44 -3.033 0.963 -0.747 379 HD1 PHE 44 HD1 PHE 44 -3.822 -0.706 2.454 380 HD2 PHE 44 HD2 PHE 44 -1.785 2.488 0.515 381 HE1 PHE 44 HE1 PHE 44 -2.676 -0.171 4.558 382 HE2 PHE 44 HE2 PHE 44 -0.633 3.032 2.619 383 HZ PHE 44 HZ PHE 44 -1.080 1.697 4.644 384 H PHE 45 H PHE 45 -4.640 2.038 -2.275 385 HA PHE 45 HA PHE 45 -4.125 4.715 -1.502 386 HB2 PHE 45 1HB PHE 45 -4.804 3.486 -4.169 387 HB3 PHE 45 2HB PHE 45 -4.459 5.199 -3.973 388 HD1 PHE 45 HD1 PHE 45 -2.196 5.681 -2.663 389 HD2 PHE 45 HD2 PHE 45 -3.093 2.115 -4.806 390 HE1 PHE 45 HE1 PHE 45 0.210 5.233 -2.914 391 HE2 PHE 45 HE2 PHE 45 -0.691 1.660 -5.060 392 HZ PHE 45 HZ PHE 45 0.970 3.218 -4.115 393 H GLU 46 H GLU 46 -7.020 3.113 -2.762 394 HA GLU 46 HA GLU 46 -8.449 5.498 -3.301 395 HB2 GLU 46 1HB GLU 46 -9.461 2.691 -2.863 396 HB3 GLU 46 2HB GLU 46 -10.430 4.022 -3.477 397 HG2 GLU 46 1HG GLU 46 -7.935 3.019 -4.801 398 HG3 GLU 46 2HG GLU 46 -9.553 2.466 -5.208 399 H GLU 47 H GLU 47 -8.338 3.364 -0.488 400 HA GLU 47 HA GLU 47 -10.448 4.908 0.777 401 HB2 GLU 47 1HB GLU 47 -8.895 2.509 1.741 402 HB3 GLU 47 2HB GLU 47 -10.177 3.294 2.659 403 HG2 GLU 47 1HG GLU 47 -11.701 2.867 0.721 404 HG3 GLU 47 2HG GLU 47 -10.415 1.898 0.007 405 H PHE 48 H PHE 48 -7.127 5.244 0.494 406 HA PHE 48 HA PHE 48 -7.029 6.900 2.861 407 HB2 PHE 48 1HB PHE 48 -5.077 6.018 0.818 408 HB3 PHE 48 2HB PHE 48 -4.857 7.599 1.493 409 HD1 PHE 48 HD1 PHE 48 -5.064 4.023 2.338 410 HD2 PHE 48 HD2 PHE 48 -4.010 7.922 3.679 411 HE1 PHE 48 HE1 PHE 48 -3.970 3.045 4.313 412 HE2 PHE 48 HE2 PHE 48 -2.916 6.952 5.654 413 HZ PHE 48 HZ PHE 48 -2.893 4.512 5.973 414 H GLU 49 H GLU 49 -5.848 7.721 -0.328 415 HA GLU 49 HA GLU 49 -5.625 9.771 -1.216 416 HB2 GLU 49 1HB GLU 49 -7.659 8.585 -2.253 417 HB3 GLU 49 2HB GLU 49 -8.624 9.742 -1.330 418 HG2 GLU 49 1HG GLU 49 -7.135 11.531 -2.356 419 HG3 GLU 49 2HG GLU 49 -6.625 10.268 -3.482 420 H GLN 50 H GLN 50 -5.497 10.018 1.488 421 HA GLN 50 HA GLN 50 -5.926 11.339 3.301 422 HB2 GLN 50 1HB GLN 50 -5.550 13.814 2.502 423 HB3 GLN 50 2HB GLN 50 -4.275 12.604 2.407 424 HG2 GLN 50 1HG GLN 50 -4.754 12.233 0.053 425 HG3 GLN 50 2HG GLN 50 -6.054 13.430 0.116 426 HE21 GLN 50 1HE2 GLN 50 -4.579 15.174 1.909 427 HE22 GLN 50 2HE2 GLN 50 -3.371 15.953 0.946 428 H ARG 51 H ARG 51 -8.349 10.434 2.311 429 HA ARG 51 HA ARG 51 -10.147 12.754 2.454 430 HB2 ARG 51 1HB ARG 51 -11.766 11.466 1.304 431 HB3 ARG 51 2HB ARG 51 -10.249 11.129 0.480 432 HG2 ARG 51 1HG ARG 51 -10.004 9.123 1.838 433 HG3 ARG 51 2HG ARG 51 -11.616 9.444 2.478 434 HD2 ARG 51 1HD ARG 51 -11.117 7.948 0.329 435 HD3 ARG 51 2HD ARG 51 -12.632 8.808 0.571 436 HE ARG 51 HE ARG 51 -10.522 10.217 -0.849 437 HH11 ARG 51 1HH1 ARG 51 -13.484 8.365 -1.035 438 HH12 ARG 51 2HH1 ARG 51 -13.776 8.758 -2.702 439 HH21 ARG 51 1HH2 ARG 51 -10.917 10.757 -3.049 440 HH22 ARG 51 2HH2 ARG 51 -12.328 10.102 -3.841 441 H LYS 52 H LYS 52 -12.068 12.578 3.743 442 HA LYS 52 HA LYS 52 -12.028 10.473 5.783 443 HB2 LYS 52 1HB LYS 52 -12.472 13.419 6.348 444 HB3 LYS 52 2HB LYS 52 -12.684 12.126 7.513 445 HG2 LYS 52 1HG LYS 52 -10.618 12.960 8.074 446 HG3 LYS 52 2HG LYS 52 -10.191 11.608 7.026 447 HD2 LYS 52 1HD LYS 52 -9.964 13.180 5.137 448 HD3 LYS 52 2HD LYS 52 -10.332 14.517 6.229 449 HE2 LYS 52 1HE LYS 52 -7.978 12.639 6.449 450 HE3 LYS 52 2HE LYS 52 -7.929 14.309 5.884 451 HZ1 LYS 52 3HZ LYS 52 -8.654 13.388 8.617 452 HZ2 LYS 52 1HZ LYS 52 -8.736 15.000 8.087 453 HZ3 LYS 52 2HZ LYS 52 -7.241 14.207 8.164 Start of MODEL 35 1 H1 MET 1 1H MET 1 -12.296 -9.400 4.396 2 H2 MET 1 2H MET 1 -12.218 -7.750 4.785 3 H3 MET 1 3H MET 1 -13.382 -8.739 5.522 4 HA MET 1 HA MET 1 -11.647 -8.315 7.075 5 HB2 MET 1 1HB MET 1 -12.675 -10.551 7.097 6 HB3 MET 1 2HB MET 1 -11.478 -11.119 5.941 7 HG2 MET 1 1HG MET 1 -10.889 -11.875 8.135 8 HG3 MET 1 2HG MET 1 -9.710 -10.680 7.600 9 HE1 MET 1 3HE MET 1 -8.821 -10.408 10.091 10 HE2 MET 1 1HE MET 1 -9.978 -11.635 10.605 11 HE3 MET 1 2HE MET 1 -9.875 -10.099 11.469 12 H LYS 2 H LYS 2 -10.104 -10.473 4.682 13 HA LYS 2 HA LYS 2 -7.756 -8.694 4.759 14 HB2 LYS 2 1HB LYS 2 -7.703 -11.721 4.744 15 HB3 LYS 2 2HB LYS 2 -6.298 -10.669 4.676 16 HG2 LYS 2 1HG LYS 2 -6.794 -9.827 6.902 17 HG3 LYS 2 2HG LYS 2 -8.238 -10.836 6.972 18 HD2 LYS 2 1HD LYS 2 -6.761 -12.834 6.680 19 HD3 LYS 2 2HD LYS 2 -5.373 -11.758 6.832 20 HE2 LYS 2 1HE LYS 2 -7.532 -12.036 8.917 21 HE3 LYS 2 2HE LYS 2 -6.013 -12.928 8.944 22 HZ1 LYS 2 3HZ LYS 2 -6.034 -10.901 10.345 23 HZ2 LYS 2 1HZ LYS 2 -6.195 -9.962 8.942 24 HZ3 LYS 2 2HZ LYS 2 -4.802 -10.904 9.178 25 H GLN 3 H GLN 3 -7.501 -7.853 2.823 26 HA GLN 3 HA GLN 3 -8.139 -9.496 0.445 27 HB2 GLN 3 1HB GLN 3 -7.927 -6.477 0.572 28 HB3 GLN 3 2HB GLN 3 -8.520 -7.444 -0.772 29 HG2 GLN 3 1HG GLN 3 -9.844 -7.185 1.919 30 HG3 GLN 3 2HG GLN 3 -10.327 -6.349 0.446 31 HE21 GLN 3 1HE2 GLN 3 -9.877 -8.606 -1.304 32 HE22 GLN 3 2HE2 GLN 3 -11.148 -9.738 -0.973 33 H TRP 4 H TRP 4 -5.732 -9.084 2.247 34 HA TRP 4 HA TRP 4 -3.635 -8.962 0.334 35 HB2 TRP 4 1HB TRP 4 -2.622 -6.934 1.769 36 HB3 TRP 4 2HB TRP 4 -3.563 -6.667 0.321 37 HD1 TRP 4 HD1 TRP 4 -5.065 -4.624 0.682 38 HE1 TRP 4 HE1 TRP 4 -6.554 -3.738 2.580 39 HE3 TRP 4 HE3 TRP 4 -4.003 -8.128 4.198 40 HZ2 TRP 4 HZ2 TRP 4 -7.209 -4.464 5.244 41 HZ3 TRP 4 HZ3 TRP 4 -5.098 -7.984 6.405 42 HH2 TRP 4 HH2 TRP 4 -6.666 -6.181 6.914 43 H SER 5 H SER 5 -1.484 -8.565 1.834 44 HA SER 5 HA SER 5 -1.765 -10.309 4.137 45 HB2 SER 5 1HB SER 5 0.708 -8.937 3.045 46 HB3 SER 5 2HB SER 5 0.671 -10.208 4.268 47 HG SER 5 HG SER 5 1.053 -10.714 1.871 48 H GLU 6 H GLU 6 -2.455 -9.422 5.958 49 HA GLU 6 HA GLU 6 -2.836 -6.824 6.652 50 HB2 GLU 6 1HB GLU 6 -3.657 -8.727 7.943 51 HB3 GLU 6 2HB GLU 6 -2.024 -9.073 8.495 52 HG2 GLU 6 1HG GLU 6 -1.982 -6.888 9.636 53 HG3 GLU 6 2HG GLU 6 -3.656 -6.629 9.143 54 H ASN 7 H ASN 7 0.143 -8.661 7.240 55 HA ASN 7 HA ASN 7 1.644 -6.798 8.622 56 HB2 ASN 7 1HB ASN 7 2.494 -8.696 6.445 57 HB3 ASN 7 2HB ASN 7 3.632 -7.807 7.451 58 HD21 ASN 7 1HD2 ASN 7 3.285 -10.669 7.164 59 HD22 ASN 7 2HD2 ASN 7 2.938 -11.269 8.756 60 H VAL 8 H VAL 8 0.939 -6.975 5.208 61 HA VAL 8 HA VAL 8 2.835 -5.017 4.400 62 HB VAL 8 HB VAL 8 0.389 -5.982 2.920 63 HG11 VAL 8 1HG1 VAL 8 1.352 -3.891 2.077 64 HG12 VAL 8 2HG1 VAL 8 1.557 -5.219 0.939 65 HG13 VAL 8 3HG1 VAL 8 2.921 -4.683 1.922 66 HG21 VAL 8 3HG2 VAL 8 3.224 -7.005 2.869 67 HG22 VAL 8 1HG2 VAL 8 1.923 -7.531 1.800 68 HG23 VAL 8 2HG2 VAL 8 1.823 -7.844 3.533 69 H GLU 9 H GLU 9 -0.709 -4.977 4.814 70 HA GLU 9 HA GLU 9 -1.192 -2.369 4.015 71 HB2 GLU 9 1HB GLU 9 -2.998 -3.933 4.543 72 HB3 GLU 9 2HB GLU 9 -2.544 -3.903 6.245 73 HG2 GLU 9 1HG GLU 9 -3.047 -1.477 6.293 74 HG3 GLU 9 2HG GLU 9 -3.601 -1.588 4.624 75 H GLU 10 H GLU 10 -0.338 -3.592 7.210 76 HA GLU 10 HA GLU 10 -0.242 -1.250 8.669 77 HB2 GLU 10 1HB GLU 10 0.068 -3.296 9.822 78 HB3 GLU 10 2HB GLU 10 1.403 -3.775 8.781 79 HG2 GLU 10 1HG GLU 10 2.727 -1.901 9.724 80 HG3 GLU 10 2HG GLU 10 1.412 -1.609 10.865 81 H LYS 11 H LYS 11 2.410 -2.771 6.853 82 HA LYS 11 HA LYS 11 4.181 -0.631 7.609 83 HB2 LYS 11 1HB LYS 11 4.633 -3.188 7.377 84 HB3 LYS 11 2HB LYS 11 4.928 -2.790 5.689 85 HG2 LYS 11 1HG LYS 11 6.800 -1.552 6.163 86 HG3 LYS 11 2HG LYS 11 6.288 -1.208 7.815 87 HD2 LYS 11 1HD LYS 11 7.316 -3.834 6.745 88 HD3 LYS 11 2HD LYS 11 8.141 -2.749 7.865 89 HE2 LYS 11 1HE LYS 11 5.648 -4.371 8.366 90 HE3 LYS 11 2HE LYS 11 7.220 -4.550 9.135 91 HZ1 LYS 11 3HZ LYS 11 6.915 -2.669 10.411 92 HZ2 LYS 11 1HZ LYS 11 5.357 -3.336 10.393 93 HZ3 LYS 11 2HZ LYS 11 5.725 -2.013 9.395 94 H LEU 12 H LEU 12 2.187 -1.356 4.913 95 HA LEU 12 HA LEU 12 3.573 0.217 2.981 96 HB2 LEU 12 1HB LEU 12 1.427 -1.480 2.912 97 HB3 LEU 12 2HB LEU 12 0.634 0.077 2.782 98 HG LEU 12 HG LEU 12 1.991 0.613 0.808 99 HD11 LEU 12 1HD1 LEU 12 3.986 -0.636 1.302 100 HD12 LEU 12 2HD1 LEU 12 3.328 -1.186 -0.240 101 HD13 LEU 12 3HD1 LEU 12 3.100 -2.158 1.212 102 HD21 LEU 12 3HD2 LEU 12 -0.173 -0.437 0.474 103 HD22 LEU 12 1HD2 LEU 12 0.553 -2.035 0.648 104 HD23 LEU 12 2HD2 LEU 12 0.975 -1.017 -0.728 105 H LYS 13 H LYS 13 0.866 0.808 5.186 106 HA LYS 13 HA LYS 13 0.440 3.522 4.860 107 HB2 LYS 13 1HB LYS 13 -0.957 2.403 6.384 108 HB3 LYS 13 2HB LYS 13 0.399 1.684 7.239 109 HG2 LYS 13 1HG LYS 13 0.961 4.074 7.965 110 HG3 LYS 13 2HG LYS 13 -0.676 4.476 7.440 111 HD2 LYS 13 1HD LYS 13 -1.573 2.754 8.934 112 HD3 LYS 13 2HD LYS 13 0.067 2.351 9.452 113 HE2 LYS 13 1HE LYS 13 -0.818 3.762 11.132 114 HE3 LYS 13 2HE LYS 13 0.290 4.760 10.188 115 HZ1 LYS 13 3HZ LYS 13 -1.609 5.664 8.986 116 HZ2 LYS 13 1HZ LYS 13 -1.785 5.921 10.655 117 HZ3 LYS 13 2HZ LYS 13 -2.667 4.694 9.887 118 H GLU 14 H GLU 14 2.841 1.887 6.865 119 HA GLU 14 HA GLU 14 4.045 4.212 7.893 120 HB2 GLU 14 1HB GLU 14 5.307 1.490 7.515 121 HB3 GLU 14 2HB GLU 14 5.828 2.741 8.637 122 HG2 GLU 14 1HG GLU 14 3.749 2.514 9.882 123 HG3 GLU 14 2HG GLU 14 3.188 1.294 8.740 124 H PHE 15 H PHE 15 4.815 2.183 5.085 125 HA PHE 15 HA PHE 15 7.285 3.486 4.552 126 HB2 PHE 15 1HB PHE 15 6.703 1.124 3.989 127 HB3 PHE 15 2HB PHE 15 5.630 1.733 2.741 128 HD1 PHE 15 HD1 PHE 15 9.019 2.932 3.673 129 HD2 PHE 15 HD2 PHE 15 6.610 0.961 0.773 130 HE1 PHE 15 HE1 PHE 15 10.920 2.922 2.110 131 HE2 PHE 15 HE2 PHE 15 8.505 0.948 -0.795 132 HZ PHE 15 HZ PHE 15 10.659 1.930 -0.128 133 H VAL 16 H VAL 16 3.986 4.073 3.592 134 HA VAL 16 HA VAL 16 4.825 5.893 1.476 135 HB VAL 16 HB VAL 16 2.050 5.158 2.427 136 HG11 VAL 16 1HG1 VAL 16 1.241 6.314 0.439 137 HG12 VAL 16 2HG1 VAL 16 2.888 6.804 0.040 138 HG13 VAL 16 3HG1 VAL 16 2.112 7.425 1.498 139 HG21 VAL 16 3HG2 VAL 16 3.574 4.376 -0.056 140 HG22 VAL 16 1HG2 VAL 16 1.908 3.932 0.312 141 HG23 VAL 16 2HG2 VAL 16 3.225 3.328 1.319 142 H LYS 17 H LYS 17 2.939 6.087 4.505 143 HA LYS 17 HA LYS 17 2.820 8.960 4.282 144 HB2 LYS 17 1HB LYS 17 0.874 7.803 5.128 145 HB3 LYS 17 2HB LYS 17 1.816 7.065 6.414 146 HG2 LYS 17 1HG LYS 17 0.502 8.848 7.322 147 HG3 LYS 17 2HG LYS 17 2.204 9.311 7.372 148 HD2 LYS 17 1HD LYS 17 1.085 11.229 6.614 149 HD3 LYS 17 2HD LYS 17 1.762 10.510 5.157 150 HE2 LYS 17 1HE LYS 17 -0.401 11.047 4.515 151 HE3 LYS 17 2HE LYS 17 -0.533 9.342 4.945 152 HZ1 LYS 17 3HZ LYS 17 -2.356 10.624 5.866 153 HZ2 LYS 17 1HZ LYS 17 -1.264 11.638 6.681 154 HZ3 LYS 17 2HZ LYS 17 -1.387 10.003 7.116 155 H ARG 18 H ARG 18 4.428 6.627 6.413 156 HA ARG 18 HA ARG 18 5.507 8.782 8.035 157 HB2 ARG 18 1HB ARG 18 5.744 5.779 8.273 158 HB3 ARG 18 2HB ARG 18 6.424 6.928 9.421 159 HG2 ARG 18 1HG ARG 18 4.218 7.731 9.990 160 HG3 ARG 18 2HG ARG 18 3.491 6.690 8.764 161 HD2 ARG 18 1HD ARG 18 4.166 4.719 9.951 162 HD3 ARG 18 2HD ARG 18 5.100 5.675 11.102 163 HE ARG 18 HE ARG 18 2.626 6.666 11.437 164 HH11 ARG 18 1HH1 ARG 18 3.813 3.374 11.288 165 HH12 ARG 18 2HH1 ARG 18 2.614 2.742 12.373 166 HH21 ARG 18 1HH2 ARG 18 1.043 5.848 12.892 167 HH22 ARG 18 2HH2 ARG 18 1.049 4.150 13.292 168 H HIS 19 H HIS 19 6.586 6.528 5.605 169 HA HIS 19 HA HIS 19 9.383 7.193 6.035 170 HB2 HIS 19 1HB HIS 19 7.928 5.233 4.300 171 HB3 HIS 19 2HB HIS 19 9.581 5.672 3.889 172 HD1 HIS 19 HD1 HIS 19 11.405 4.448 5.135 173 HD2 HIS 19 HD2 HIS 19 7.674 4.059 6.938 174 HE1 HIS 19 HE1 HIS 19 11.670 2.718 6.962 175 H GLN 20 H GLN 20 9.919 6.851 3.130 176 HA GLN 20 HA GLN 20 10.263 9.615 2.633 177 HB2 GLN 20 1HB GLN 20 11.364 8.886 0.576 178 HB3 GLN 20 2HB GLN 20 11.911 7.951 1.964 179 HG2 GLN 20 1HG GLN 20 10.450 6.123 1.331 180 HG3 GLN 20 2HG GLN 20 9.838 7.072 -0.020 181 HE21 GLN 20 1HE2 GLN 20 12.503 8.172 -0.600 182 HE22 GLN 20 2HE2 GLN 20 13.371 6.893 -1.379 183 H ARG 21 H ARG 21 7.624 7.612 1.972 184 HA ARG 21 HA ARG 21 5.725 7.841 0.729 185 HB2 ARG 21 1HB ARG 21 5.922 10.292 1.279 186 HB3 ARG 21 2HB ARG 21 6.819 10.501 -0.215 187 HG2 ARG 21 1HG ARG 21 4.868 9.748 -1.486 188 HG3 ARG 21 2HG ARG 21 3.970 9.563 0.026 189 HD2 ARG 21 1HD ARG 21 4.400 11.976 0.489 190 HD3 ARG 21 2HD ARG 21 5.103 12.110 -1.121 191 HE ARG 21 HE ARG 21 2.518 11.019 -1.320 192 HH11 ARG 21 1HH1 ARG 21 4.167 14.015 -0.630 193 HH12 ARG 21 2HH1 ARG 21 2.820 15.017 -1.065 194 HH21 ARG 21 1HH2 ARG 21 0.742 12.331 -1.950 195 HH22 ARG 21 2HH2 ARG 21 0.883 14.065 -1.858 196 H ILE 22 H ILE 22 5.333 6.762 -1.124 197 HA ILE 22 HA ILE 22 7.521 6.729 -3.086 198 HB ILE 22 HB ILE 22 7.734 4.877 -1.447 199 HG12 ILE 22 1HG1 ILE 22 7.053 3.867 -4.206 200 HG13 ILE 22 2HG1 ILE 22 8.552 4.706 -3.807 201 HG21 ILE 22 1HG2 ILE 22 5.058 4.060 -2.550 202 HG22 ILE 22 2HG2 ILE 22 5.495 4.367 -0.867 203 HG23 ILE 22 3HG2 ILE 22 6.132 2.951 -1.701 204 HD11 ILE 22 3HD1 ILE 22 9.074 2.942 -2.179 205 HD12 ILE 22 1HD1 ILE 22 8.911 2.324 -3.825 206 HD13 ILE 22 2HD1 ILE 22 7.604 2.092 -2.662 207 H THR 23 H THR 23 6.979 6.152 -5.204 208 HA THR 23 HA THR 23 4.265 6.737 -5.976 209 HB THR 23 HB THR 23 5.295 6.308 -8.313 210 HG1 THR 23 HG1 THR 23 7.509 6.205 -8.380 211 HG21 THR 23 3HG2 THR 23 6.347 8.526 -6.549 212 HG22 THR 23 1HG2 THR 23 4.828 8.542 -7.447 213 HG23 THR 23 2HG2 THR 23 6.364 8.524 -8.312 214 H GLN 24 H GLN 24 3.197 5.357 -7.678 215 HA GLN 24 HA GLN 24 2.661 2.872 -6.473 216 HB2 GLN 24 1HB GLN 24 1.005 4.182 -7.752 217 HB3 GLN 24 2HB GLN 24 1.854 3.779 -9.238 218 HG2 GLN 24 1HG GLN 24 1.413 1.401 -8.834 219 HG3 GLN 24 2HG GLN 24 0.546 1.821 -7.360 220 HE21 GLN 24 1HE2 GLN 24 -0.626 4.220 -8.605 221 HE22 GLN 24 2HE2 GLN 24 -1.887 3.628 -9.637 222 H GLU 25 H GLU 25 4.776 3.697 -9.158 223 HA GLU 25 HA GLU 25 5.022 1.173 -10.324 224 HB2 GLU 25 1HB GLU 25 5.989 3.101 -11.407 225 HB3 GLU 25 2HB GLU 25 7.084 3.361 -10.052 226 HG2 GLU 25 1HG GLU 25 8.157 1.203 -10.538 227 HG3 GLU 25 2HG GLU 25 7.090 1.006 -11.926 228 H GLU 26 H GLU 26 7.257 2.649 -7.979 229 HA GLU 26 HA GLU 26 8.662 0.226 -7.530 230 HB2 GLU 26 1HB GLU 26 9.526 2.591 -7.193 231 HB3 GLU 26 2HB GLU 26 8.592 2.632 -5.707 232 HG2 GLU 26 1HG GLU 26 10.907 2.110 -5.258 233 HG3 GLU 26 2HG GLU 26 9.870 0.744 -4.846 234 H LEU 27 H LEU 27 5.896 1.772 -6.088 235 HA LEU 27 HA LEU 27 5.671 0.280 -3.727 236 HB2 LEU 27 1HB LEU 27 4.303 2.266 -4.256 237 HB3 LEU 27 2HB LEU 27 3.473 1.351 -5.502 238 HG LEU 27 HG LEU 27 2.906 -0.266 -3.507 239 HD11 LEU 27 1HD1 LEU 27 3.408 2.356 -2.111 240 HD12 LEU 27 2HD1 LEU 27 4.253 0.832 -1.839 241 HD13 LEU 27 3HD1 LEU 27 2.548 0.982 -1.420 242 HD21 LEU 27 3HD2 LEU 27 0.829 1.002 -3.142 243 HD22 LEU 27 1HD2 LEU 27 1.260 0.898 -4.850 244 HD23 LEU 27 2HD2 LEU 27 1.552 2.390 -3.956 245 H HIS 28 H HIS 28 4.611 -0.384 -7.038 246 HA HIS 28 HA HIS 28 3.037 -2.646 -6.401 247 HB2 HIS 28 1HB HIS 28 3.087 -1.208 -8.567 248 HB3 HIS 28 2HB HIS 28 4.371 -2.303 -9.070 249 HD1 HIS 28 HD1 HIS 28 3.317 -5.013 -8.246 250 HD2 HIS 28 HD2 HIS 28 0.888 -2.034 -9.823 251 HE1 HIS 28 HE1 HIS 28 1.250 -6.171 -9.108 252 H GLN 29 H GLN 29 6.413 -2.251 -7.302 253 HA GLN 29 HA GLN 29 7.096 -4.978 -7.509 254 HB2 GLN 29 1HB GLN 29 8.455 -2.850 -8.109 255 HB3 GLN 29 2HB GLN 29 8.933 -2.849 -6.422 256 HG2 GLN 29 1HG GLN 29 9.374 -5.194 -8.246 257 HG3 GLN 29 2HG GLN 29 10.542 -3.891 -8.053 258 HE21 GLN 29 1HE2 GLN 29 9.169 -6.740 -6.681 259 HE22 GLN 29 2HE2 GLN 29 10.222 -6.833 -5.309 260 H TYR 30 H TYR 30 7.244 -2.690 -4.814 261 HA TYR 30 HA TYR 30 8.100 -4.465 -2.814 262 HB2 TYR 30 1HB TYR 30 7.948 -1.881 -2.850 263 HB3 TYR 30 2HB TYR 30 6.284 -2.109 -2.335 264 HD1 TYR 30 HD1 TYR 30 9.693 -3.306 -1.382 265 HD2 TYR 30 HD2 TYR 30 5.878 -1.960 -0.066 266 HE1 TYR 30 HE1 TYR 30 10.468 -3.415 0.947 267 HE2 TYR 30 HE2 TYR 30 6.646 -2.058 2.271 268 HH TYR 30 HH TYR 30 9.864 -2.285 3.144 269 H ALA 31 H ALA 31 4.976 -3.819 -4.215 270 HA ALA 31 HA ALA 31 3.357 -4.916 -2.169 271 HB1 ALA 31 3HB ALA 31 2.782 -4.544 -5.108 272 HB2 ALA 31 1HB ALA 31 2.471 -3.372 -3.827 273 HB3 ALA 31 2HB ALA 31 1.581 -4.895 -3.867 274 H GLN 32 H GLN 32 4.377 -6.251 -5.319 275 HA GLN 32 HA GLN 32 3.140 -8.766 -4.866 276 HB2 GLN 32 1HB GLN 32 5.294 -7.964 -6.818 277 HB3 GLN 32 2HB GLN 32 4.484 -9.525 -6.818 278 HG2 GLN 32 1HG GLN 32 2.325 -8.322 -7.115 279 HG3 GLN 32 2HG GLN 32 3.244 -6.830 -7.310 280 HE21 GLN 32 1HE2 GLN 32 1.471 -8.274 -9.151 281 HE22 GLN 32 2HE2 GLN 32 2.418 -8.570 -10.574 282 H ARG 33 H ARG 33 6.276 -7.457 -4.139 283 HA ARG 33 HA ARG 33 7.596 -9.866 -3.504 284 HB2 ARG 33 1HB ARG 33 8.847 -7.823 -3.800 285 HB3 ARG 33 2HB ARG 33 7.972 -7.044 -2.491 286 HG2 ARG 33 1HG ARG 33 8.973 -8.644 -0.909 287 HG3 ARG 33 2HG ARG 33 9.907 -9.335 -2.236 288 HD2 ARG 33 1HD ARG 33 11.116 -7.325 -2.550 289 HD3 ARG 33 2HD ARG 33 10.017 -6.423 -1.507 290 HE ARG 33 HE ARG 33 11.359 -8.603 -0.183 291 HH11 ARG 33 1HH1 ARG 33 11.667 -5.253 -1.169 292 HH12 ARG 33 2HH1 ARG 33 12.698 -4.820 0.168 293 HH21 ARG 33 1HH2 ARG 33 12.688 -8.033 1.594 294 HH22 ARG 33 2HH2 ARG 33 13.272 -6.395 1.744 295 H LEU 34 H LEU 34 5.237 -7.960 -1.785 296 HA LEU 34 HA LEU 34 5.738 -9.486 0.672 297 HB2 LEU 34 1HB LEU 34 4.178 -6.945 0.217 298 HB3 LEU 34 2HB LEU 34 4.316 -7.763 1.761 299 HG LEU 34 HG LEU 34 6.600 -6.536 0.212 300 HD11 LEU 34 1HD1 LEU 34 6.659 -4.924 2.052 301 HD12 LEU 34 2HD1 LEU 34 5.217 -5.667 2.743 302 HD13 LEU 34 3HD1 LEU 34 5.131 -4.863 1.175 303 HD21 LEU 34 3HD2 LEU 34 7.280 -8.513 1.496 304 HD22 LEU 34 1HD2 LEU 34 6.570 -7.809 2.947 305 HD23 LEU 34 2HD2 LEU 34 7.949 -7.028 2.172 306 H GLY 35 H GLY 35 3.864 -9.786 -1.983 307 HA2 GLY 35 1HA GLY 35 2.305 -11.533 -2.211 308 HA3 GLY 35 2HA GLY 35 2.020 -11.478 -0.480 309 H LEU 36 H LEU 36 1.844 -8.779 -2.793 310 HA LEU 36 HA LEU 36 -0.948 -8.450 -1.955 311 HB2 LEU 36 1HB LEU 36 0.910 -6.471 -3.262 312 HB3 LEU 36 2HB LEU 36 -0.769 -6.163 -2.872 313 HG LEU 36 HG LEU 36 1.487 -6.620 -0.925 314 HD11 LEU 36 1HD1 LEU 36 0.825 -4.368 -0.160 315 HD12 LEU 36 2HD1 LEU 36 -0.343 -4.284 -1.478 316 HD13 LEU 36 3HD1 LEU 36 1.381 -4.382 -1.833 317 HD21 LEU 36 3HD2 LEU 36 -0.494 -7.793 -0.134 318 HD22 LEU 36 1HD2 LEU 36 -1.468 -6.344 -0.377 319 HD23 LEU 36 2HD2 LEU 36 -0.191 -6.354 0.840 320 H ASN 37 H ASN 37 -2.577 -8.649 -3.282 321 HA ASN 37 HA ASN 37 -2.128 -8.857 -6.152 322 HB2 ASN 37 1HB ASN 37 -4.665 -9.204 -6.183 323 HB3 ASN 37 2HB ASN 37 -3.701 -10.461 -5.425 324 HD21 ASN 37 1HD2 ASN 37 -4.332 -7.420 -3.818 325 HD22 ASN 37 2HD2 ASN 37 -5.408 -8.064 -2.618 326 H GLU 38 H GLU 38 -3.348 -7.493 -7.632 327 HA GLU 38 HA GLU 38 -2.814 -4.808 -7.186 328 HB2 GLU 38 1HB GLU 38 -4.831 -5.889 -9.151 329 HB3 GLU 38 2HB GLU 38 -3.986 -4.350 -9.247 330 HG2 GLU 38 1HG GLU 38 -2.801 -5.640 -10.735 331 HG3 GLU 38 2HG GLU 38 -1.845 -5.820 -9.263 332 H GLU 39 H GLU 39 -5.736 -6.602 -6.557 333 HA GLU 39 HA GLU 39 -7.622 -4.619 -6.190 334 HB2 GLU 39 1HB GLU 39 -8.163 -6.971 -6.041 335 HB3 GLU 39 2HB GLU 39 -7.121 -7.158 -4.636 336 HG2 GLU 39 1HG GLU 39 -8.622 -5.624 -3.392 337 HG3 GLU 39 2HG GLU 39 -9.702 -5.624 -4.788 338 H ALA 40 H ALA 40 -5.441 -6.003 -3.776 339 HA ALA 40 HA ALA 40 -6.122 -4.227 -1.690 340 HB1 ALA 40 3HB ALA 40 -5.118 -6.422 -1.313 341 HB2 ALA 40 1HB ALA 40 -4.186 -5.140 -0.544 342 HB3 ALA 40 2HB ALA 40 -3.619 -5.858 -2.051 343 H ILE 41 H ILE 41 -3.661 -4.177 -4.184 344 HA ILE 41 HA ILE 41 -2.011 -2.171 -3.149 345 HB ILE 41 HB ILE 41 -2.599 -2.717 -6.067 346 HG12 ILE 41 1HG1 ILE 41 -0.517 -3.902 -4.209 347 HG13 ILE 41 2HG1 ILE 41 -1.899 -4.751 -4.899 348 HG21 ILE 41 1HG2 ILE 41 -1.464 -0.592 -5.705 349 HG22 ILE 41 2HG2 ILE 41 -0.377 -1.757 -6.459 350 HG23 ILE 41 3HG2 ILE 41 -0.231 -1.400 -4.738 351 HD11 ILE 41 3HD1 ILE 41 -0.955 -4.445 -7.132 352 HD12 ILE 41 1HD1 ILE 41 0.145 -5.318 -6.066 353 HD13 ILE 41 2HD1 ILE 41 0.431 -3.615 -6.430 354 H ARG 42 H ARG 42 -4.790 -1.931 -5.370 355 HA ARG 42 HA ARG 42 -4.761 0.922 -5.337 356 HB2 ARG 42 1HB ARG 42 -5.695 -0.310 -7.231 357 HB3 ARG 42 2HB ARG 42 -6.940 -0.933 -6.172 358 HG2 ARG 42 1HG ARG 42 -7.767 1.294 -5.773 359 HG3 ARG 42 2HG ARG 42 -6.519 1.954 -6.827 360 HD2 ARG 42 1HD ARG 42 -7.484 0.720 -8.712 361 HD3 ARG 42 2HD ARG 42 -8.737 0.076 -7.645 362 HE ARG 42 HE ARG 42 -8.523 2.960 -7.683 363 HH11 ARG 42 1HH1 ARG 42 -10.082 0.187 -9.183 364 HH12 ARG 42 2HH1 ARG 42 -11.489 1.095 -9.656 365 HH21 ARG 42 1HH2 ARG 42 -10.346 4.116 -8.241 366 HH22 ARG 42 2HH2 ARG 42 -11.631 3.357 -9.142 367 H GLN 43 H GLN 43 -6.400 -1.579 -3.539 368 HA GLN 43 HA GLN 43 -8.505 -0.189 -2.419 369 HB2 GLN 43 1HB GLN 43 -8.154 -2.629 -2.238 370 HB3 GLN 43 2HB GLN 43 -6.836 -2.353 -1.104 371 HG2 GLN 43 1HG GLN 43 -9.492 -1.198 -0.445 372 HG3 GLN 43 2HG GLN 43 -9.286 -2.944 -0.306 373 HE21 GLN 43 1HE2 GLN 43 -9.731 -0.916 1.772 374 HE22 GLN 43 2HE2 GLN 43 -8.403 -1.072 2.871 375 H PHE 44 H PHE 44 -5.163 -0.382 -1.271 376 HA PHE 44 HA PHE 44 -5.825 1.345 0.984 377 HB2 PHE 44 1HB PHE 44 -4.450 -0.797 1.173 378 HB3 PHE 44 2HB PHE 44 -3.152 0.093 0.386 379 HD1 PHE 44 HD1 PHE 44 -5.546 0.563 3.211 380 HD2 PHE 44 HD2 PHE 44 -1.577 1.028 1.749 381 HE1 PHE 44 HE1 PHE 44 -4.847 1.444 5.397 382 HE2 PHE 44 HE2 PHE 44 -0.873 1.905 3.930 383 HZ PHE 44 HZ PHE 44 -2.509 2.115 5.764 384 H PHE 45 H PHE 45 -3.629 1.298 -1.818 385 HA PHE 45 HA PHE 45 -2.290 3.681 -1.199 386 HB2 PHE 45 1HB PHE 45 -1.606 1.822 -2.805 387 HB3 PHE 45 2HB PHE 45 -2.674 2.592 -3.973 388 HD1 PHE 45 HD1 PHE 45 -0.136 3.738 -1.532 389 HD2 PHE 45 HD2 PHE 45 -1.551 3.822 -5.533 390 HE1 PHE 45 HE1 PHE 45 1.720 5.249 -2.148 391 HE2 PHE 45 HE2 PHE 45 0.292 5.330 -6.166 392 HZ PHE 45 HZ PHE 45 1.935 6.043 -4.473 393 H GLU 46 H GLU 46 -5.149 3.084 -3.206 394 HA GLU 46 HA GLU 46 -5.149 5.825 -4.111 395 HB2 GLU 46 1HB GLU 46 -5.919 3.859 -5.508 396 HB3 GLU 46 2HB GLU 46 -7.352 3.805 -4.489 397 HG2 GLU 46 1HG GLU 46 -7.846 6.135 -5.123 398 HG3 GLU 46 2HG GLU 46 -6.457 6.097 -6.206 399 H GLU 47 H GLU 47 -7.345 3.805 -2.177 400 HA GLU 47 HA GLU 47 -8.952 6.090 -1.455 401 HB2 GLU 47 1HB GLU 47 -9.774 3.701 -1.889 402 HB3 GLU 47 2HB GLU 47 -9.130 3.306 -0.303 403 HG2 GLU 47 1HG GLU 47 -10.638 4.815 0.763 404 HG3 GLU 47 2HG GLU 47 -11.180 5.449 -0.792 405 H PHE 48 H PHE 48 -6.210 6.189 -0.687 406 HA PHE 48 HA PHE 48 -5.907 5.539 2.063 407 HB2 PHE 48 1HB PHE 48 -4.082 5.825 0.266 408 HB3 PHE 48 2HB PHE 48 -4.246 7.552 0.563 409 HD1 PHE 48 HD1 PHE 48 -3.592 4.334 2.304 410 HD2 PHE 48 HD2 PHE 48 -3.017 8.554 2.252 411 HE1 PHE 48 HE1 PHE 48 -2.014 4.144 4.186 412 HE2 PHE 48 HE2 PHE 48 -1.443 8.367 4.135 413 HZ PHE 48 HZ PHE 48 -0.939 6.159 5.100 414 H GLU 49 H GLU 49 -5.954 8.712 0.426 415 HA GLU 49 HA GLU 49 -7.868 9.893 2.099 416 HB2 GLU 49 1HB GLU 49 -6.447 11.384 3.457 417 HB3 GLU 49 2HB GLU 49 -6.219 9.692 3.876 418 HG2 GLU 49 1HG GLU 49 -4.145 9.644 2.581 419 HG3 GLU 49 2HG GLU 49 -4.386 11.331 2.130 420 H GLN 50 H GLN 50 -5.096 10.295 0.009 421 HA GLN 50 HA GLN 50 -5.864 13.068 -0.515 422 HB2 GLN 50 1HB GLN 50 -3.550 13.354 -1.296 423 HB3 GLN 50 2HB GLN 50 -3.633 12.764 0.358 424 HG2 GLN 50 1HG GLN 50 -3.183 10.489 -0.448 425 HG3 GLN 50 2HG GLN 50 -3.024 11.125 -2.086 426 HE21 GLN 50 1HE2 GLN 50 -1.972 12.847 0.728 427 HE22 GLN 50 2HE2 GLN 50 -0.271 12.724 0.430 428 H ARG 51 H ARG 51 -7.031 10.621 -1.798 429 HA ARG 51 HA ARG 51 -6.193 10.905 -4.552 430 HB2 ARG 51 1HB ARG 51 -7.696 9.158 -5.099 431 HB3 ARG 51 2HB ARG 51 -6.868 8.694 -3.621 432 HG2 ARG 51 1HG ARG 51 -8.779 9.285 -2.305 433 HG3 ARG 51 2HG ARG 51 -9.577 9.923 -3.742 434 HD2 ARG 51 1HD ARG 51 -9.607 7.707 -4.743 435 HD3 ARG 51 2HD ARG 51 -8.728 7.056 -3.358 436 HE ARG 51 HE ARG 51 -10.964 8.121 -2.249 437 HH11 ARG 51 1HH1 ARG 51 -10.407 5.827 -4.863 438 HH12 ARG 51 2HH1 ARG 51 -11.875 4.949 -4.555 439 HH21 ARG 51 1HH2 ARG 51 -12.884 6.970 -1.872 440 HH22 ARG 51 2HH2 ARG 51 -13.287 5.603 -2.866 441 H LYS 52 H LYS 52 -8.222 10.981 -6.132 442 HA LYS 52 HA LYS 52 -9.740 12.319 -7.149 443 HB2 LYS 52 1HB LYS 52 -10.263 13.457 -4.395 444 HB3 LYS 52 2HB LYS 52 -11.187 13.846 -5.836 445 HG2 LYS 52 1HG LYS 52 -11.908 11.515 -6.001 446 HG3 LYS 52 2HG LYS 52 -10.982 11.131 -4.547 447 HD2 LYS 52 1HD LYS 52 -13.333 11.471 -4.007 448 HD3 LYS 52 2HD LYS 52 -12.334 12.726 -3.271 449 HE2 LYS 52 1HE LYS 52 -12.885 14.176 -5.253 450 HE3 LYS 52 2HE LYS 52 -14.057 12.949 -5.734 451 HZ1 LYS 52 3HZ LYS 52 -15.205 13.270 -3.637 452 HZ2 LYS 52 1HZ LYS 52 -15.084 14.738 -4.477 453 HZ3 LYS 52 2HZ LYS 52 -14.063 14.429 -3.161 Start of MODEL 36 1 H1 MET 1 1H MET 1 -13.129 -10.450 3.307 2 H2 MET 1 2H MET 1 -13.899 -11.747 4.075 3 H3 MET 1 3H MET 1 -12.291 -11.907 3.550 4 HA MET 1 HA MET 1 -13.239 -10.055 5.659 5 HB2 MET 1 1HB MET 1 -11.710 -12.659 5.824 6 HB3 MET 1 2HB MET 1 -11.883 -11.537 7.166 7 HG2 MET 1 1HG MET 1 -14.153 -12.914 5.750 8 HG3 MET 1 2HG MET 1 -13.445 -13.426 7.281 9 HE1 MET 1 3HE MET 1 -13.640 -12.063 9.537 10 HE2 MET 1 1HE MET 1 -14.381 -10.464 9.655 11 HE3 MET 1 2HE MET 1 -12.890 -10.678 8.741 12 H LYS 2 H LYS 2 -10.251 -11.753 4.736 13 HA LYS 2 HA LYS 2 -8.835 -9.178 4.920 14 HB2 LYS 2 1HB LYS 2 -7.677 -11.965 5.167 15 HB3 LYS 2 2HB LYS 2 -6.838 -10.449 5.465 16 HG2 LYS 2 1HG LYS 2 -8.247 -10.010 7.386 17 HG3 LYS 2 2HG LYS 2 -9.174 -11.476 7.070 18 HD2 LYS 2 1HD LYS 2 -7.058 -12.778 7.370 19 HD3 LYS 2 2HD LYS 2 -6.273 -11.282 7.875 20 HE2 LYS 2 1HE LYS 2 -8.715 -12.445 9.207 21 HE3 LYS 2 2HE LYS 2 -7.064 -12.731 9.754 22 HZ1 LYS 2 3HZ LYS 2 -8.150 -10.950 10.992 23 HZ2 LYS 2 1HZ LYS 2 -8.364 -10.061 9.563 24 HZ3 LYS 2 2HZ LYS 2 -6.800 -10.372 10.141 25 H GLN 3 H GLN 3 -7.890 -8.415 3.095 26 HA GLN 3 HA GLN 3 -8.205 -10.118 0.703 27 HB2 GLN 3 1HB GLN 3 -8.520 -7.113 0.898 28 HB3 GLN 3 2HB GLN 3 -8.745 -8.085 -0.552 29 HG2 GLN 3 1HG GLN 3 -10.401 -8.223 1.961 30 HG3 GLN 3 2HG GLN 3 -10.871 -7.473 0.437 31 HE21 GLN 3 1HE2 GLN 3 -9.762 -9.512 -1.254 32 HE22 GLN 3 2HE2 GLN 3 -10.777 -10.906 -1.079 33 H TRP 4 H TRP 4 -5.937 -9.418 2.567 34 HA TRP 4 HA TRP 4 -3.865 -9.315 0.633 35 HB2 TRP 4 1HB TRP 4 -2.784 -7.242 1.773 36 HB3 TRP 4 2HB TRP 4 -3.994 -6.997 0.539 37 HD1 TRP 4 HD1 TRP 4 -4.630 -4.590 1.371 38 HE1 TRP 4 HE1 TRP 4 -5.957 -3.707 3.392 39 HE3 TRP 4 HE3 TRP 4 -4.708 -8.819 4.200 40 HZ2 TRP 4 HZ2 TRP 4 -6.919 -4.680 5.841 41 HZ3 TRP 4 HZ3 TRP 4 -5.868 -8.771 6.370 42 HH2 TRP 4 HH2 TRP 4 -6.951 -6.736 7.177 43 H SER 5 H SER 5 -1.707 -8.760 2.168 44 HA SER 5 HA SER 5 -1.892 -10.590 4.397 45 HB2 SER 5 1HB SER 5 0.483 -8.879 3.643 46 HB3 SER 5 2HB SER 5 0.479 -10.379 4.570 47 HG SER 5 HG SER 5 0.888 -11.246 2.689 48 H GLU 6 H GLU 6 -2.784 -9.876 6.185 49 HA GLU 6 HA GLU 6 -3.557 -7.373 6.880 50 HB2 GLU 6 1HB GLU 6 -4.128 -9.541 8.004 51 HB3 GLU 6 2HB GLU 6 -2.598 -9.434 8.858 52 HG2 GLU 6 1HG GLU 6 -3.312 -7.385 9.938 53 HG3 GLU 6 2HG GLU 6 -4.833 -7.427 9.042 54 H ASN 7 H ASN 7 -0.402 -8.814 7.655 55 HA ASN 7 HA ASN 7 0.445 -6.674 9.325 56 HB2 ASN 7 1HB ASN 7 2.082 -8.729 7.837 57 HB3 ASN 7 2HB ASN 7 2.717 -7.646 9.067 58 HD21 ASN 7 1HD2 ASN 7 3.326 -9.155 10.517 59 HD22 ASN 7 2HD2 ASN 7 2.224 -10.201 11.349 60 H VAL 8 H VAL 8 0.304 -7.113 5.953 61 HA VAL 8 HA VAL 8 2.508 -5.444 5.249 62 HB VAL 8 HB VAL 8 0.277 -6.705 3.694 63 HG11 VAL 8 1HG1 VAL 8 1.286 -5.825 1.655 64 HG12 VAL 8 2HG1 VAL 8 2.388 -4.845 2.619 65 HG13 VAL 8 3HG1 VAL 8 0.650 -4.539 2.673 66 HG21 VAL 8 3HG2 VAL 8 2.133 -8.122 4.391 67 HG22 VAL 8 1HG2 VAL 8 3.275 -7.014 3.627 68 HG23 VAL 8 2HG2 VAL 8 2.121 -7.911 2.641 69 H GLU 9 H GLU 9 -1.036 -4.974 5.304 70 HA GLU 9 HA GLU 9 -1.051 -2.471 4.058 71 HB2 GLU 9 1HB GLU 9 -3.085 -3.833 4.491 72 HB3 GLU 9 2HB GLU 9 -2.964 -3.429 6.202 73 HG2 GLU 9 1HG GLU 9 -3.156 -1.027 5.577 74 HG3 GLU 9 2HG GLU 9 -3.434 -1.531 3.913 75 H GLU 10 H GLU 10 -0.556 -3.376 7.408 76 HA GLU 10 HA GLU 10 -0.419 -0.852 8.590 77 HB2 GLU 10 1HB GLU 10 -0.416 -2.691 10.051 78 HB3 GLU 10 2HB GLU 10 0.868 -3.508 9.172 79 HG2 GLU 10 1HG GLU 10 2.437 -1.742 9.950 80 HG3 GLU 10 2HG GLU 10 1.134 -1.098 10.955 81 H LYS 11 H LYS 11 2.236 -2.865 7.363 82 HA LYS 11 HA LYS 11 4.212 -0.884 7.874 83 HB2 LYS 11 1HB LYS 11 4.578 -3.325 7.969 84 HB3 LYS 11 2HB LYS 11 4.395 -3.398 6.223 85 HG2 LYS 11 1HG LYS 11 6.368 -2.038 5.918 86 HG3 LYS 11 2HG LYS 11 6.538 -1.844 7.664 87 HD2 LYS 11 1HD LYS 11 6.577 -4.518 6.268 88 HD3 LYS 11 2HD LYS 11 8.031 -3.592 6.647 89 HE2 LYS 11 1HE LYS 11 7.639 -3.764 8.982 90 HE3 LYS 11 2HE LYS 11 6.006 -4.376 8.735 91 HZ1 LYS 11 3HZ LYS 11 7.513 -6.138 9.360 92 HZ2 LYS 11 1HZ LYS 11 8.510 -5.813 8.025 93 HZ3 LYS 11 2HZ LYS 11 6.932 -6.390 7.792 94 H LEU 12 H LEU 12 2.268 -1.714 5.126 95 HA LEU 12 HA LEU 12 3.740 -0.496 3.074 96 HB2 LEU 12 1HB LEU 12 1.685 -1.937 2.829 97 HB3 LEU 12 2HB LEU 12 0.731 -0.554 3.331 98 HG LEU 12 HG LEU 12 1.629 0.693 1.351 99 HD11 LEU 12 1HD1 LEU 12 3.651 -0.564 0.962 100 HD12 LEU 12 2HD1 LEU 12 2.617 -0.661 -0.464 101 HD13 LEU 12 3HD1 LEU 12 2.720 -2.028 0.646 102 HD21 LEU 12 3HD2 LEU 12 0.122 -1.864 0.796 103 HD22 LEU 12 1HD2 LEU 12 0.192 -0.462 -0.270 104 HD23 LEU 12 2HD2 LEU 12 -0.580 -0.330 1.310 105 H LYS 13 H LYS 13 1.178 0.800 5.159 106 HA LYS 13 HA LYS 13 1.257 3.450 4.230 107 HB2 LYS 13 1HB LYS 13 -0.583 2.632 5.591 108 HB3 LYS 13 2HB LYS 13 0.508 2.344 6.937 109 HG2 LYS 13 1HG LYS 13 0.922 4.740 7.128 110 HG3 LYS 13 2HG LYS 13 -0.166 5.036 5.772 111 HD2 LYS 13 1HD LYS 13 -1.270 5.434 7.919 112 HD3 LYS 13 2HD LYS 13 -2.023 4.102 7.043 113 HE2 LYS 13 1HE LYS 13 -0.896 2.483 8.433 114 HE3 LYS 13 2HE LYS 13 0.030 3.758 9.227 115 HZ1 LYS 13 3HZ LYS 13 -1.930 4.598 10.231 116 HZ2 LYS 13 1HZ LYS 13 -1.906 2.924 10.512 117 HZ3 LYS 13 2HZ LYS 13 -2.930 3.574 9.322 118 H GLU 14 H GLU 14 3.087 1.767 6.708 119 HA GLU 14 HA GLU 14 4.407 3.980 7.833 120 HB2 GLU 14 1HB GLU 14 5.460 1.161 7.548 121 HB3 GLU 14 2HB GLU 14 6.004 2.368 8.704 122 HG2 GLU 14 1HG GLU 14 3.217 1.243 8.627 123 HG3 GLU 14 2HG GLU 14 4.511 0.611 9.642 124 H PHE 15 H PHE 15 5.125 2.007 5.007 125 HA PHE 15 HA PHE 15 7.740 3.210 4.706 126 HB2 PHE 15 1HB PHE 15 7.385 0.803 4.328 127 HB3 PHE 15 2HB PHE 15 6.297 1.181 2.999 128 HD1 PHE 15 HD1 PHE 15 9.772 1.970 4.115 129 HD2 PHE 15 HD2 PHE 15 7.165 1.062 0.875 130 HE1 PHE 15 HE1 PHE 15 11.688 1.981 2.573 131 HE2 PHE 15 HE2 PHE 15 9.079 1.061 -0.669 132 HZ PHE 15 HZ PHE 15 11.344 1.526 0.179 133 H VAL 16 H VAL 16 4.559 3.701 3.466 134 HA VAL 16 HA VAL 16 5.575 5.329 1.258 135 HB VAL 16 HB VAL 16 2.706 4.739 2.035 136 HG11 VAL 16 1HG1 VAL 16 3.846 6.026 -0.445 137 HG12 VAL 16 2HG1 VAL 16 2.931 6.843 0.822 138 HG13 VAL 16 3HG1 VAL 16 2.149 5.620 -0.181 139 HG21 VAL 16 3HG2 VAL 16 2.694 3.224 0.130 140 HG22 VAL 16 1HG2 VAL 16 3.918 2.739 1.304 141 HG23 VAL 16 2HG2 VAL 16 4.395 3.575 -0.174 142 H LYS 17 H LYS 17 3.135 5.788 3.797 143 HA LYS 17 HA LYS 17 3.040 8.590 3.534 144 HB2 LYS 17 1HB LYS 17 1.158 7.417 4.397 145 HB3 LYS 17 2HB LYS 17 2.117 6.703 5.684 146 HG2 LYS 17 1HG LYS 17 2.435 8.988 6.617 147 HG3 LYS 17 2HG LYS 17 1.286 9.579 5.410 148 HD2 LYS 17 1HD LYS 17 -0.436 8.152 6.277 149 HD3 LYS 17 2HD LYS 17 0.693 7.394 7.396 150 HE2 LYS 17 1HE LYS 17 -0.629 8.951 8.635 151 HE3 LYS 17 2HE LYS 17 0.986 9.632 8.488 152 HZ1 LYS 17 3HZ LYS 17 -0.567 11.344 8.079 153 HZ2 LYS 17 1HZ LYS 17 -1.453 10.402 6.983 154 HZ3 LYS 17 2HZ LYS 17 0.101 10.947 6.568 155 H ARG 18 H ARG 18 4.892 6.464 5.629 156 HA ARG 18 HA ARG 18 5.814 8.816 7.134 157 HB2 ARG 18 1HB ARG 18 5.904 5.925 7.997 158 HB3 ARG 18 2HB ARG 18 6.189 7.344 8.999 159 HG2 ARG 18 1HG ARG 18 3.891 8.003 8.824 160 HG3 ARG 18 2HG ARG 18 3.567 6.718 7.661 161 HD2 ARG 18 1HD ARG 18 2.744 5.913 9.702 162 HD3 ARG 18 2HD ARG 18 4.293 5.105 9.480 163 HE ARG 18 HE ARG 18 4.909 7.313 10.958 164 HH11 ARG 18 1HH1 ARG 18 2.756 4.569 11.304 165 HH12 ARG 18 2HH1 ARG 18 2.698 4.675 13.037 166 HH21 ARG 18 1HH2 ARG 18 4.848 7.440 13.247 167 HH22 ARG 18 2HH2 ARG 18 3.877 6.308 14.145 168 H HIS 19 H HIS 19 6.901 7.511 4.564 169 HA HIS 19 HA HIS 19 9.676 7.515 5.489 170 HB2 HIS 19 1HB HIS 19 8.287 5.325 4.076 171 HB3 HIS 19 2HB HIS 19 9.891 5.725 3.472 172 HD1 HIS 19 HD1 HIS 19 8.141 4.180 6.387 173 HD2 HIS 19 HD2 HIS 19 12.000 5.181 5.219 174 HE1 HIS 19 HE1 HIS 19 9.699 2.991 7.986 175 H GLN 20 H GLN 20 8.340 9.669 4.346 176 HA GLN 20 HA GLN 20 8.756 11.344 2.867 177 HB2 GLN 20 1HB GLN 20 11.051 9.555 2.102 178 HB3 GLN 20 2HB GLN 20 10.853 11.201 1.519 179 HG2 GLN 20 1HG GLN 20 11.159 12.090 3.699 180 HG3 GLN 20 2HG GLN 20 11.063 10.488 4.434 181 HE21 GLN 20 1HE2 GLN 20 13.036 12.722 2.665 182 HE22 GLN 20 2HE2 GLN 20 14.526 11.859 2.851 183 H ARG 21 H ARG 21 7.151 8.889 2.129 184 HA ARG 21 HA ARG 21 5.841 8.212 0.417 185 HB2 ARG 21 1HB ARG 21 6.989 10.610 -1.004 186 HB3 ARG 21 2HB ARG 21 5.693 9.611 -1.639 187 HG2 ARG 21 1HG ARG 21 4.360 10.193 0.394 188 HG3 ARG 21 2HG ARG 21 5.631 11.345 0.813 189 HD2 ARG 21 1HD ARG 21 3.853 12.492 -0.352 190 HD3 ARG 21 2HD ARG 21 5.296 12.456 -1.365 191 HE ARG 21 HE ARG 21 2.943 10.712 -1.737 192 HH11 ARG 21 1HH1 ARG 21 5.745 12.391 -3.017 193 HH12 ARG 21 2HH1 ARG 21 5.363 12.008 -4.672 194 HH21 ARG 21 1HH2 ARG 21 2.465 10.189 -3.909 195 HH22 ARG 21 2HH2 ARG 21 3.517 10.753 -5.177 196 H ILE 22 H ILE 22 5.943 7.578 -2.024 197 HA ILE 22 HA ILE 22 8.565 6.918 -3.012 198 HB ILE 22 HB ILE 22 8.290 5.104 -1.416 199 HG12 ILE 22 1HG1 ILE 22 7.800 4.119 -4.235 200 HG13 ILE 22 2HG1 ILE 22 9.364 4.605 -3.587 201 HG21 ILE 22 1HG2 ILE 22 5.707 4.493 -2.840 202 HG22 ILE 22 2HG2 ILE 22 5.873 5.138 -1.208 203 HG23 ILE 22 3HG2 ILE 22 6.442 3.509 -1.574 204 HD11 ILE 22 3HD1 ILE 22 7.691 2.317 -2.577 205 HD12 ILE 22 1HD1 ILE 22 9.288 2.785 -1.992 206 HD13 ILE 22 2HD1 ILE 22 9.094 2.180 -3.637 207 H THR 23 H THR 23 8.521 6.292 -5.213 208 HA THR 23 HA THR 23 6.266 7.213 -6.675 209 HB THR 23 HB THR 23 7.477 6.318 -8.672 210 HG1 THR 23 HG1 THR 23 9.514 5.396 -8.366 211 HG21 THR 23 3HG2 THR 23 7.891 8.590 -7.881 212 HG22 THR 23 1HG2 THR 23 9.372 7.873 -8.513 213 HG23 THR 23 2HG2 THR 23 9.124 7.989 -6.772 214 H GLN 24 H GLN 24 4.874 6.039 -8.042 215 HA GLN 24 HA GLN 24 3.742 3.748 -6.886 216 HB2 GLN 24 1HB GLN 24 2.563 5.433 -8.302 217 HB3 GLN 24 2HB GLN 24 3.386 4.780 -9.707 218 HG2 GLN 24 1HG GLN 24 1.721 2.993 -7.993 219 HG3 GLN 24 2HG GLN 24 0.956 4.065 -9.160 220 HE21 GLN 24 1HE2 GLN 24 1.036 1.165 -9.076 221 HE22 GLN 24 2HE2 GLN 24 1.736 0.651 -10.574 222 H GLU 25 H GLU 25 6.125 4.192 -9.377 223 HA GLU 25 HA GLU 25 6.241 1.732 -10.619 224 HB2 GLU 25 1HB GLU 25 7.621 3.601 -11.295 225 HB3 GLU 25 2HB GLU 25 8.491 3.559 -9.769 226 HG2 GLU 25 1HG GLU 25 9.256 1.248 -10.404 227 HG3 GLU 25 2HG GLU 25 8.594 1.566 -12.010 228 H GLU 26 H GLU 26 8.411 2.642 -7.938 229 HA GLU 26 HA GLU 26 9.207 -0.040 -7.449 230 HB2 GLU 26 1HB GLU 26 10.560 2.011 -6.928 231 HB3 GLU 26 2HB GLU 26 9.465 2.335 -5.592 232 HG2 GLU 26 1HG GLU 26 11.328 1.298 -4.633 233 HG3 GLU 26 2HG GLU 26 10.094 0.043 -4.709 234 H LEU 27 H LEU 27 6.652 1.981 -6.270 235 HA LEU 27 HA LEU 27 6.048 0.662 -3.874 236 HB2 LEU 27 1HB LEU 27 5.165 2.887 -4.708 237 HB3 LEU 27 2HB LEU 27 4.048 1.978 -5.705 238 HG LEU 27 HG LEU 27 3.160 2.905 -3.506 239 HD11 LEU 27 1HD1 LEU 27 2.881 -0.045 -4.068 240 HD12 LEU 27 2HD1 LEU 27 1.921 1.261 -4.765 241 HD13 LEU 27 3HD1 LEU 27 1.807 0.907 -3.041 242 HD21 LEU 27 3HD2 LEU 27 5.080 2.307 -2.120 243 HD22 LEU 27 1HD2 LEU 27 4.759 0.597 -2.400 244 HD23 LEU 27 2HD2 LEU 27 3.598 1.578 -1.504 245 H HIS 28 H HIS 28 4.860 0.102 -7.191 246 HA HIS 28 HA HIS 28 3.046 -1.937 -6.421 247 HB2 HIS 28 1HB HIS 28 3.070 -0.612 -8.625 248 HB3 HIS 28 2HB HIS 28 4.300 -1.759 -9.156 249 HD1 HIS 28 HD1 HIS 28 3.169 -4.414 -8.194 250 HD2 HIS 28 HD2 HIS 28 0.816 -1.413 -9.848 251 HE1 HIS 28 HE1 HIS 28 1.058 -5.532 -8.984 252 H GLN 29 H GLN 29 6.407 -1.992 -7.523 253 HA GLN 29 HA GLN 29 6.768 -4.773 -7.631 254 HB2 GLN 29 1HB GLN 29 8.360 -2.781 -8.247 255 HB3 GLN 29 2HB GLN 29 8.882 -2.909 -6.577 256 HG2 GLN 29 1HG GLN 29 9.044 -5.085 -8.653 257 HG3 GLN 29 2HG GLN 29 10.379 -4.086 -8.093 258 HE21 GLN 29 1HE2 GLN 29 8.398 -6.819 -7.476 259 HE22 GLN 29 2HE2 GLN 29 9.201 -7.343 -6.033 260 H TYR 30 H TYR 30 7.218 -2.457 -4.991 261 HA TYR 30 HA TYR 30 7.968 -4.234 -2.977 262 HB2 TYR 30 1HB TYR 30 8.073 -1.714 -2.942 263 HB3 TYR 30 2HB TYR 30 6.342 -1.716 -2.622 264 HD1 TYR 30 HD1 TYR 30 9.375 -3.452 -1.279 265 HD2 TYR 30 HD2 TYR 30 5.776 -1.353 -0.421 266 HE1 TYR 30 HE1 TYR 30 9.855 -3.628 1.123 267 HE2 TYR 30 HE2 TYR 30 6.242 -1.530 1.988 268 HH TYR 30 HH TYR 30 7.535 -2.909 3.520 269 H ALA 31 H ALA 31 4.773 -3.264 -4.127 270 HA ALA 31 HA ALA 31 3.241 -4.373 -2.046 271 HB1 ALA 31 3HB ALA 31 1.369 -4.274 -3.618 272 HB2 ALA 31 1HB ALA 31 2.493 -3.997 -4.948 273 HB3 ALA 31 2HB ALA 31 2.322 -2.792 -3.672 274 H GLN 32 H GLN 32 4.382 -5.721 -5.105 275 HA GLN 32 HA GLN 32 3.049 -8.235 -4.712 276 HB2 GLN 32 1HB GLN 32 5.227 -7.454 -6.660 277 HB3 GLN 32 2HB GLN 32 4.306 -8.952 -6.704 278 HG2 GLN 32 1HG GLN 32 2.248 -7.665 -7.055 279 HG3 GLN 32 2HG GLN 32 3.194 -6.175 -7.060 280 HE21 GLN 32 1HE2 GLN 32 2.402 -9.072 -8.778 281 HE22 GLN 32 2HE2 GLN 32 3.087 -8.612 -10.299 282 H ARG 33 H ARG 33 6.055 -6.859 -3.782 283 HA ARG 33 HA ARG 33 7.387 -9.353 -3.292 284 HB2 ARG 33 1HB ARG 33 8.584 -7.213 -3.738 285 HB3 ARG 33 2HB ARG 33 8.026 -6.623 -2.177 286 HG2 ARG 33 1HG ARG 33 10.201 -7.373 -1.782 287 HG3 ARG 33 2HG ARG 33 9.165 -8.669 -1.185 288 HD2 ARG 33 1HD ARG 33 10.450 -8.645 -3.911 289 HD3 ARG 33 2HD ARG 33 11.132 -9.455 -2.504 290 HE ARG 33 HE ARG 33 8.516 -10.384 -2.847 291 HH11 ARG 33 1HH1 ARG 33 11.592 -10.502 -4.510 292 HH12 ARG 33 2HH1 ARG 33 11.266 -12.030 -5.272 293 HH21 ARG 33 1HH2 ARG 33 8.069 -12.375 -3.853 294 HH22 ARG 33 2HH2 ARG 33 9.264 -13.102 -4.897 295 H LEU 34 H LEU 34 5.369 -7.144 -1.446 296 HA LEU 34 HA LEU 34 5.859 -8.536 1.034 297 HB2 LEU 34 1HB LEU 34 3.857 -6.404 0.308 298 HB3 LEU 34 2HB LEU 34 4.048 -7.075 1.914 299 HG LEU 34 HG LEU 34 6.064 -5.436 0.389 300 HD11 LEU 34 1HD1 LEU 34 4.564 -4.933 2.952 301 HD12 LEU 34 2HD1 LEU 34 4.243 -4.170 1.395 302 HD13 LEU 34 3HD1 LEU 34 5.767 -3.865 2.229 303 HD21 LEU 34 3HD2 LEU 34 7.501 -5.647 2.348 304 HD22 LEU 34 1HD2 LEU 34 7.189 -7.225 1.626 305 HD23 LEU 34 2HD2 LEU 34 6.339 -6.744 3.093 306 H GLY 35 H GLY 35 3.471 -8.596 -1.520 307 HA2 GLY 35 1HA GLY 35 2.419 -10.819 -1.790 308 HA3 GLY 35 2HA GLY 35 2.113 -10.779 -0.064 309 H LEU 36 H LEU 36 1.675 -8.168 -2.422 310 HA LEU 36 HA LEU 36 -1.146 -8.078 -1.614 311 HB2 LEU 36 1HB LEU 36 0.556 -5.962 -2.928 312 HB3 LEU 36 2HB LEU 36 -1.130 -5.779 -2.483 313 HG LEU 36 HG LEU 36 1.149 -6.233 -0.565 314 HD11 LEU 36 1HD1 LEU 36 1.188 -4.005 -1.534 315 HD12 LEU 36 2HD1 LEU 36 0.685 -3.938 0.155 316 HD13 LEU 36 3HD1 LEU 36 -0.515 -3.782 -1.130 317 HD21 LEU 36 3HD2 LEU 36 -0.540 -5.805 1.166 318 HD22 LEU 36 1HD2 LEU 36 -0.910 -7.250 0.223 319 HD23 LEU 36 2HD2 LEU 36 -1.788 -5.752 -0.078 320 H ASN 37 H ASN 37 -2.718 -8.395 -2.996 321 HA ASN 37 HA ASN 37 -2.144 -8.653 -5.841 322 HB2 ASN 37 1HB ASN 37 -4.642 -9.291 -5.895 323 HB3 ASN 37 2HB ASN 37 -3.528 -10.422 -5.148 324 HD21 ASN 37 1HD2 ASN 37 -4.611 -7.469 -3.575 325 HD22 ASN 37 2HD2 ASN 37 -5.571 -8.253 -2.361 326 H GLU 38 H GLU 38 -3.526 -7.472 -7.387 327 HA GLU 38 HA GLU 38 -3.269 -4.739 -7.019 328 HB2 GLU 38 1HB GLU 38 -5.012 -6.290 -8.926 329 HB3 GLU 38 2HB GLU 38 -4.777 -4.550 -9.026 330 HG2 GLU 38 1HG GLU 38 -2.505 -4.770 -9.553 331 HG3 GLU 38 2HG GLU 38 -2.466 -6.458 -9.037 332 H GLU 39 H GLU 39 -5.984 -6.786 -6.250 333 HA GLU 39 HA GLU 39 -8.041 -4.973 -5.941 334 HB2 GLU 39 1HB GLU 39 -8.418 -7.323 -5.717 335 HB3 GLU 39 2HB GLU 39 -7.290 -7.436 -4.377 336 HG2 GLU 39 1HG GLU 39 -8.815 -6.087 -3.007 337 HG3 GLU 39 2HG GLU 39 -9.961 -6.060 -4.353 338 H ALA 40 H ALA 40 -5.558 -5.907 -3.591 339 HA ALA 40 HA ALA 40 -6.518 -4.055 -1.609 340 HB1 ALA 40 3HB ALA 40 -4.655 -4.834 -0.256 341 HB2 ALA 40 1HB ALA 40 -3.984 -5.691 -1.643 342 HB3 ALA 40 2HB ALA 40 -5.527 -6.200 -0.952 343 H ILE 41 H ILE 41 -4.134 -4.075 -4.123 344 HA ILE 41 HA ILE 41 -2.501 -1.968 -3.197 345 HB ILE 41 HB ILE 41 -3.049 -2.854 -6.035 346 HG12 ILE 41 1HG1 ILE 41 -0.791 -3.539 -4.138 347 HG13 ILE 41 2HG1 ILE 41 -2.119 -4.613 -4.568 348 HG21 ILE 41 1HG2 ILE 41 -0.828 -1.131 -4.941 349 HG22 ILE 41 2HG2 ILE 41 -2.146 -0.596 -5.986 350 HG23 ILE 41 3HG2 ILE 41 -0.941 -1.733 -6.594 351 HD11 ILE 41 3HD1 ILE 41 -0.027 -3.539 -6.449 352 HD12 ILE 41 1HD1 ILE 41 -1.361 -4.605 -6.892 353 HD13 ILE 41 2HD1 ILE 41 -0.105 -5.175 -5.792 354 H ARG 42 H ARG 42 -5.125 -1.940 -5.628 355 HA ARG 42 HA ARG 42 -5.234 0.895 -5.763 356 HB2 ARG 42 1HB ARG 42 -6.075 -0.442 -7.591 357 HB3 ARG 42 2HB ARG 42 -7.270 -1.202 -6.551 358 HG2 ARG 42 1HG ARG 42 -8.489 0.832 -6.371 359 HG3 ARG 42 2HG ARG 42 -7.184 1.725 -7.149 360 HD2 ARG 42 1HD ARG 42 -9.037 1.336 -8.690 361 HD3 ARG 42 2HD ARG 42 -7.562 0.539 -9.225 362 HE ARG 42 HE ARG 42 -8.949 -1.363 -7.807 363 HH11 ARG 42 1HH1 ARG 42 -9.654 0.688 -10.553 364 HH12 ARG 42 2HH1 ARG 42 -10.624 -0.504 -11.362 365 HH21 ARG 42 1HH2 ARG 42 -10.270 -2.925 -8.840 366 HH22 ARG 42 2HH2 ARG 42 -10.991 -2.553 -10.385 367 H GLN 43 H GLN 43 -6.775 -1.492 -3.748 368 HA GLN 43 HA GLN 43 -8.830 -0.028 -2.590 369 HB2 GLN 43 1HB GLN 43 -8.422 -2.449 -2.246 370 HB3 GLN 43 2HB GLN 43 -7.025 -2.059 -1.252 371 HG2 GLN 43 1HG GLN 43 -8.467 -0.955 0.366 372 HG3 GLN 43 2HG GLN 43 -9.873 -1.304 -0.636 373 HE21 GLN 43 1HE2 GLN 43 -7.473 -2.609 1.496 374 HE22 GLN 43 2HE2 GLN 43 -8.254 -4.134 1.765 375 H PHE 44 H PHE 44 -5.395 -0.077 -1.861 376 HA PHE 44 HA PHE 44 -5.589 1.507 0.518 377 HB2 PHE 44 1HB PHE 44 -3.795 -0.201 -0.089 378 HB3 PHE 44 2HB PHE 44 -3.122 1.032 -1.149 379 HD1 PHE 44 HD1 PHE 44 -4.115 0.443 2.381 380 HD2 PHE 44 HD2 PHE 44 -1.593 2.560 -0.316 381 HE1 PHE 44 HE1 PHE 44 -2.881 1.388 4.288 382 HE2 PHE 44 HE2 PHE 44 -0.345 3.502 1.586 383 HZ PHE 44 HZ PHE 44 -0.993 2.919 3.893 384 H PHE 45 H PHE 45 -5.059 2.168 -2.879 385 HA PHE 45 HA PHE 45 -4.100 4.836 -2.401 386 HB2 PHE 45 1HB PHE 45 -4.743 3.284 -4.888 387 HB3 PHE 45 2HB PHE 45 -4.424 5.015 -4.958 388 HD1 PHE 45 HD1 PHE 45 -2.248 5.660 -3.462 389 HD2 PHE 45 HD2 PHE 45 -2.968 1.950 -5.414 390 HE1 PHE 45 HE1 PHE 45 0.172 5.228 -3.522 391 HE2 PHE 45 HE2 PHE 45 -0.549 1.514 -5.483 392 HZ PHE 45 HZ PHE 45 1.024 3.151 -4.534 393 H GLU 46 H GLU 46 -7.142 3.435 -3.628 394 HA GLU 46 HA GLU 46 -8.236 6.062 -4.054 395 HB2 GLU 46 1HB GLU 46 -9.390 3.300 -4.316 396 HB3 GLU 46 2HB GLU 46 -10.370 4.747 -4.534 397 HG2 GLU 46 1HG GLU 46 -8.536 5.439 -6.223 398 HG3 GLU 46 2HG GLU 46 -8.104 3.730 -6.197 399 H GLU 47 H GLU 47 -8.154 3.882 -1.411 400 HA GLU 47 HA GLU 47 -10.203 5.506 -0.049 401 HB2 GLU 47 1HB GLU 47 -10.647 3.033 -0.288 402 HB3 GLU 47 2HB GLU 47 -9.265 2.753 0.761 403 HG2 GLU 47 1HG GLU 47 -10.324 3.798 2.591 404 HG3 GLU 47 2HG GLU 47 -11.601 4.454 1.568 405 H PHE 48 H PHE 48 -7.432 6.223 -0.449 406 HA PHE 48 HA PHE 48 -6.047 5.803 2.018 407 HB2 PHE 48 1HB PHE 48 -5.078 6.408 -0.337 408 HB3 PHE 48 2HB PHE 48 -5.417 8.063 0.161 409 HD1 PHE 48 HD1 PHE 48 -3.783 4.983 1.486 410 HD2 PHE 48 HD2 PHE 48 -3.763 9.235 1.213 411 HE1 PHE 48 HE1 PHE 48 -1.667 5.059 2.750 412 HE2 PHE 48 HE2 PHE 48 -1.655 9.312 2.477 413 HZ PHE 48 HZ PHE 48 -0.606 7.224 3.250 414 H GLU 49 H GLU 49 -5.343 7.679 3.346 415 HA GLU 49 HA GLU 49 -7.691 8.809 4.477 416 HB2 GLU 49 1HB GLU 49 -6.152 9.800 6.133 417 HB3 GLU 49 2HB GLU 49 -5.881 8.078 5.903 418 HG2 GLU 49 1HG GLU 49 -3.977 8.625 4.412 419 HG3 GLU 49 2HG GLU 49 -4.227 10.330 4.784 420 H GLN 50 H GLN 50 -5.436 9.961 2.159 421 HA GLN 50 HA GLN 50 -5.952 12.751 2.726 422 HB2 GLN 50 1HB GLN 50 -4.332 11.426 0.552 423 HB3 GLN 50 2HB GLN 50 -4.482 13.166 0.749 424 HG2 GLN 50 1HG GLN 50 -3.297 11.248 2.743 425 HG3 GLN 50 2HG GLN 50 -2.403 12.353 1.701 426 HE21 GLN 50 1HE2 GLN 50 -4.363 14.497 2.022 427 HE22 GLN 50 2HE2 GLN 50 -4.127 15.132 3.611 428 H ARG 51 H ARG 51 -7.145 10.301 0.580 429 HA ARG 51 HA ARG 51 -8.155 12.121 -1.365 430 HB2 ARG 51 1HB ARG 51 -7.398 9.776 -1.842 431 HB3 ARG 51 2HB ARG 51 -8.828 9.203 -0.990 432 HG2 ARG 51 1HG ARG 51 -10.237 10.389 -2.568 433 HG3 ARG 51 2HG ARG 51 -8.801 10.939 -3.426 434 HD2 ARG 51 1HD ARG 51 -8.199 8.585 -3.863 435 HD3 ARG 51 2HD ARG 51 -9.696 8.080 -3.080 436 HE ARG 51 HE ARG 51 -9.715 9.815 -5.467 437 HH11 ARG 51 1HH1 ARG 51 -10.783 6.958 -3.751 438 HH12 ARG 51 2HH1 ARG 51 -11.902 6.478 -4.993 439 HH21 ARG 51 1HH2 ARG 51 -11.172 9.198 -7.090 440 HH22 ARG 51 2HH2 ARG 51 -12.120 7.747 -6.903 441 H LYS 52 H LYS 52 -10.157 12.939 -1.537 442 HA LYS 52 HA LYS 52 -12.238 11.979 0.289 443 HB2 LYS 52 1HB LYS 52 -13.011 14.348 0.538 444 HB3 LYS 52 2HB LYS 52 -11.454 14.020 1.285 445 HG2 LYS 52 1HG LYS 52 -10.316 15.043 -0.611 446 HG3 LYS 52 2HG LYS 52 -11.874 15.355 -1.380 447 HD2 LYS 52 1HD LYS 52 -12.510 16.808 0.466 448 HD3 LYS 52 2HD LYS 52 -10.983 16.466 1.281 449 HE2 LYS 52 1HE LYS 52 -10.874 18.608 0.146 450 HE3 LYS 52 2HE LYS 52 -9.767 17.458 -0.601 451 HZ1 LYS 52 3HZ LYS 52 -12.452 18.224 -1.627 452 HZ2 LYS 52 1HZ LYS 52 -11.426 17.075 -2.343 453 HZ3 LYS 52 2HZ LYS 52 -10.958 18.704 -2.272 Start of MODEL 37 1 H1 MET 1 1H MET 1 -10.147 -5.194 3.124 2 H2 MET 1 2H MET 1 -9.998 -5.295 4.808 3 H3 MET 1 3H MET 1 -11.440 -4.733 4.112 4 HA MET 1 HA MET 1 -11.662 -6.996 4.908 5 HB2 MET 1 1HB MET 1 -11.735 -6.613 1.912 6 HB3 MET 1 2HB MET 1 -12.412 -8.013 2.726 7 HG2 MET 1 1HG MET 1 -13.270 -5.189 3.285 8 HG3 MET 1 2HG MET 1 -14.039 -6.230 2.091 9 HE1 MET 1 3HE MET 1 -12.857 -6.344 5.906 10 HE2 MET 1 1HE MET 1 -14.454 -6.429 6.648 11 HE3 MET 1 2HE MET 1 -14.010 -5.028 5.676 12 H LYS 2 H LYS 2 -11.263 -9.314 4.151 13 HA LYS 2 HA LYS 2 -8.535 -9.992 4.291 14 HB2 LYS 2 1HB LYS 2 -9.400 -12.285 3.596 15 HB3 LYS 2 2HB LYS 2 -10.170 -11.594 5.022 16 HG2 LYS 2 1HG LYS 2 -12.073 -10.895 3.679 17 HG3 LYS 2 2HG LYS 2 -11.297 -11.530 2.228 18 HD2 LYS 2 1HD LYS 2 -11.399 -13.779 3.119 19 HD3 LYS 2 2HD LYS 2 -12.068 -13.175 4.638 20 HE2 LYS 2 1HE LYS 2 -14.052 -12.396 3.487 21 HE3 LYS 2 2HE LYS 2 -13.376 -12.891 1.936 22 HZ1 LYS 2 3HZ LYS 2 -15.001 -14.470 2.859 23 HZ2 LYS 2 1HZ LYS 2 -13.963 -14.755 4.169 24 HZ3 LYS 2 2HZ LYS 2 -13.486 -15.166 2.589 25 H GLN 3 H GLN 3 -7.017 -9.872 2.762 26 HA GLN 3 HA GLN 3 -7.306 -10.798 0.139 27 HB2 GLN 3 1HB GLN 3 -7.064 -8.610 -1.072 28 HB3 GLN 3 2HB GLN 3 -8.649 -8.901 -0.374 29 HG2 GLN 3 1HG GLN 3 -7.991 -7.491 1.551 30 HG3 GLN 3 2HG GLN 3 -6.489 -7.116 0.712 31 HE21 GLN 3 1HE2 GLN 3 -9.606 -7.499 -0.853 32 HE22 GLN 3 2HE2 GLN 3 -9.759 -5.843 -1.341 33 H TRP 4 H TRP 4 -5.648 -8.232 1.944 34 HA TRP 4 HA TRP 4 -3.123 -9.100 0.779 35 HB2 TRP 4 1HB TRP 4 -2.257 -7.026 2.056 36 HB3 TRP 4 2HB TRP 4 -3.219 -6.792 0.621 37 HD1 TRP 4 HD1 TRP 4 -4.326 -4.529 1.053 38 HE1 TRP 4 HE1 TRP 4 -5.815 -3.523 2.882 39 HE3 TRP 4 HE3 TRP 4 -4.089 -8.310 4.422 40 HZ2 TRP 4 HZ2 TRP 4 -6.776 -4.247 5.428 41 HZ3 TRP 4 HZ3 TRP 4 -5.322 -8.093 6.542 42 HH2 TRP 4 HH2 TRP 4 -6.639 -6.097 7.035 43 H SER 5 H SER 5 -1.285 -8.570 2.603 44 HA SER 5 HA SER 5 -1.953 -10.211 4.916 45 HB2 SER 5 1HB SER 5 0.134 -10.816 3.879 46 HB3 SER 5 2HB SER 5 0.680 -9.140 3.880 47 HG SER 5 HG SER 5 1.173 -10.919 5.710 48 H GLU 6 H GLU 6 -2.502 -9.278 6.779 49 HA GLU 6 HA GLU 6 -2.940 -6.597 7.197 50 HB2 GLU 6 1HB GLU 6 -3.803 -8.382 8.654 51 HB3 GLU 6 2HB GLU 6 -2.184 -8.650 9.286 52 HG2 GLU 6 1HG GLU 6 -2.197 -6.307 10.123 53 HG3 GLU 6 2HG GLU 6 -3.885 -6.192 9.629 54 H ASN 7 H ASN 7 -0.040 -8.456 7.992 55 HA ASN 7 HA ASN 7 1.455 -6.439 9.218 56 HB2 ASN 7 1HB ASN 7 2.276 -8.814 7.570 57 HB3 ASN 7 2HB ASN 7 3.449 -7.764 8.357 58 HD21 ASN 7 1HD2 ASN 7 4.243 -9.306 9.702 59 HD22 ASN 7 2HD2 ASN 7 3.330 -9.991 11.013 60 H VAL 8 H VAL 8 1.259 -7.387 5.823 61 HA VAL 8 HA VAL 8 3.172 -5.605 4.821 62 HB VAL 8 HB VAL 8 0.738 -6.732 3.435 63 HG11 VAL 8 1HG1 VAL 8 1.462 -4.853 2.191 64 HG12 VAL 8 2HG1 VAL 8 2.097 -6.282 1.377 65 HG13 VAL 8 3HG1 VAL 8 3.157 -5.296 2.379 66 HG21 VAL 8 3HG2 VAL 8 3.605 -7.664 3.477 67 HG22 VAL 8 1HG2 VAL 8 2.306 -8.362 2.508 68 HG23 VAL 8 2HG2 VAL 8 2.242 -8.457 4.268 69 H GLU 9 H GLU 9 -0.362 -5.315 4.954 70 HA GLU 9 HA GLU 9 -0.621 -2.784 3.834 71 HB2 GLU 9 1HB GLU 9 -2.499 -4.297 4.254 72 HB3 GLU 9 2HB GLU 9 -2.272 -4.123 5.989 73 HG2 GLU 9 1HG GLU 9 -2.802 -1.682 4.366 74 HG3 GLU 9 2HG GLU 9 -4.132 -2.788 4.693 75 H GLU 10 H GLU 10 -0.054 -3.752 7.161 76 HA GLU 10 HA GLU 10 -0.133 -1.215 8.350 77 HB2 GLU 10 1HB GLU 10 -0.244 -3.342 9.585 78 HB3 GLU 10 2HB GLU 10 1.431 -3.669 9.167 79 HG2 GLU 10 1HG GLU 10 2.107 -1.670 10.417 80 HG3 GLU 10 2HG GLU 10 0.423 -1.405 10.868 81 H LYS 11 H LYS 11 2.626 -3.124 7.129 82 HA LYS 11 HA LYS 11 4.513 -1.101 7.878 83 HB2 LYS 11 1HB LYS 11 4.851 -3.582 6.198 84 HB3 LYS 11 2HB LYS 11 6.167 -2.529 6.700 85 HG2 LYS 11 1HG LYS 11 5.372 -2.968 9.086 86 HG3 LYS 11 2HG LYS 11 4.428 -4.288 8.393 87 HD2 LYS 11 1HD LYS 11 6.521 -5.169 9.174 88 HD3 LYS 11 2HD LYS 11 6.524 -5.191 7.408 89 HE2 LYS 11 1HE LYS 11 8.664 -4.400 8.303 90 HE3 LYS 11 2HE LYS 11 7.849 -3.148 7.370 91 HZ1 LYS 11 3HZ LYS 11 7.153 -2.077 9.385 92 HZ2 LYS 11 1HZ LYS 11 8.830 -2.344 9.471 93 HZ3 LYS 11 2HZ LYS 11 7.764 -3.346 10.334 94 H LEU 12 H LEU 12 2.713 -1.822 4.985 95 HA LEU 12 HA LEU 12 4.222 -0.299 3.158 96 HB2 LEU 12 1HB LEU 12 2.361 -1.800 2.508 97 HB3 LEU 12 2HB LEU 12 1.223 -0.696 3.257 98 HG LEU 12 HG LEU 12 1.904 1.049 1.615 99 HD11 LEU 12 1HD1 LEU 12 3.175 0.375 -0.359 100 HD12 LEU 12 2HD1 LEU 12 3.437 -1.216 0.353 101 HD13 LEU 12 3HD1 LEU 12 4.136 0.214 1.110 102 HD21 LEU 12 3HD2 LEU 12 -0.082 -0.298 1.245 103 HD22 LEU 12 1HD2 LEU 12 0.890 -1.543 0.460 104 HD23 LEU 12 2HD2 LEU 12 0.723 0.047 -0.286 105 H LYS 13 H LYS 13 1.538 0.521 5.294 106 HA LYS 13 HA LYS 13 1.356 3.256 4.890 107 HB2 LYS 13 1HB LYS 13 -0.236 2.097 6.255 108 HB3 LYS 13 2HB LYS 13 1.013 1.561 7.363 109 HG2 LYS 13 1HG LYS 13 1.365 3.998 7.942 110 HG3 LYS 13 2HG LYS 13 -0.119 4.323 7.042 111 HD2 LYS 13 1HD LYS 13 -0.575 4.067 9.437 112 HD3 LYS 13 2HD LYS 13 -1.352 2.793 8.497 113 HE2 LYS 13 1HE LYS 13 0.618 1.330 9.027 114 HE3 LYS 13 2HE LYS 13 1.176 2.587 10.133 115 HZ1 LYS 13 3HZ LYS 13 -0.959 2.362 11.324 116 HZ2 LYS 13 1HZ LYS 13 -0.036 0.941 11.349 117 HZ3 LYS 13 2HZ LYS 13 -1.369 1.059 10.312 118 H GLU 14 H GLU 14 3.601 1.416 6.878 119 HA GLU 14 HA GLU 14 4.809 3.658 8.124 120 HB2 GLU 14 1HB GLU 14 6.032 0.934 7.693 121 HB3 GLU 14 2HB GLU 14 6.463 2.108 8.929 122 HG2 GLU 14 1HG GLU 14 4.219 1.846 9.916 123 HG3 GLU 14 2HG GLU 14 3.863 0.606 8.715 124 H PHE 15 H PHE 15 5.581 1.775 5.233 125 HA PHE 15 HA PHE 15 8.106 3.102 4.909 126 HB2 PHE 15 1HB PHE 15 7.691 0.726 4.297 127 HB3 PHE 15 2HB PHE 15 6.612 1.269 3.025 128 HD1 PHE 15 HD1 PHE 15 9.874 2.763 3.954 129 HD2 PHE 15 HD2 PHE 15 7.704 0.422 1.139 130 HE1 PHE 15 HE1 PHE 15 11.784 2.853 2.405 131 HE2 PHE 15 HE2 PHE 15 9.609 0.504 -0.408 132 HZ PHE 15 HZ PHE 15 11.655 1.724 0.223 133 H VAL 16 H VAL 16 4.873 3.708 3.934 134 HA VAL 16 HA VAL 16 5.724 5.589 1.872 135 HB VAL 16 HB VAL 16 2.937 4.936 2.863 136 HG11 VAL 16 1HG1 VAL 16 2.154 6.165 0.898 137 HG12 VAL 16 2HG1 VAL 16 3.816 6.592 0.495 138 HG13 VAL 16 3HG1 VAL 16 3.081 7.210 1.974 139 HG21 VAL 16 3HG2 VAL 16 4.368 4.118 0.336 140 HG22 VAL 16 1HG2 VAL 16 2.692 3.753 0.738 141 HG23 VAL 16 2HG2 VAL 16 3.998 3.067 1.703 142 H LYS 17 H LYS 17 3.821 5.712 4.907 143 HA LYS 17 HA LYS 17 3.822 8.599 4.784 144 HB2 LYS 17 1HB LYS 17 1.838 7.216 5.482 145 HB3 LYS 17 2HB LYS 17 2.704 6.842 6.964 146 HG2 LYS 17 1HG LYS 17 1.138 8.617 7.369 147 HG3 LYS 17 2HG LYS 17 2.782 9.248 7.491 148 HD2 LYS 17 1HD LYS 17 2.632 10.256 5.326 149 HD3 LYS 17 2HD LYS 17 1.092 9.454 5.002 150 HE2 LYS 17 1HE LYS 17 1.606 11.541 7.116 151 HE3 LYS 17 2HE LYS 17 0.770 11.801 5.584 152 HZ1 LYS 17 3HZ LYS 17 -0.119 10.167 7.889 153 HZ2 LYS 17 1HZ LYS 17 -0.835 10.047 6.358 154 HZ3 LYS 17 2HZ LYS 17 -0.892 11.512 7.200 155 H ARG 18 H ARG 18 5.389 6.094 6.702 156 HA ARG 18 HA ARG 18 6.490 8.052 8.549 157 HB2 ARG 18 1HB ARG 18 6.826 5.058 8.353 158 HB3 ARG 18 2HB ARG 18 7.600 6.046 9.577 159 HG2 ARG 18 1HG ARG 18 5.434 6.711 10.450 160 HG3 ARG 18 2HG ARG 18 4.627 5.805 9.169 161 HD2 ARG 18 1HD ARG 18 4.593 4.512 11.208 162 HD3 ARG 18 2HD ARG 18 5.651 3.730 10.036 163 HE ARG 18 HE ARG 18 7.115 5.468 11.745 164 HH11 ARG 18 1HH1 ARG 18 5.584 2.320 11.668 165 HH12 ARG 18 2HH1 ARG 18 6.634 1.638 12.866 166 HH21 ARG 18 1HH2 ARG 18 8.484 4.576 13.347 167 HH22 ARG 18 2HH2 ARG 18 8.252 2.920 13.842 168 H HIS 19 H HIS 19 7.150 7.517 5.546 169 HA HIS 19 HA HIS 19 10.027 8.009 5.878 170 HB2 HIS 19 1HB HIS 19 8.662 6.241 3.843 171 HB3 HIS 19 2HB HIS 19 10.257 6.925 3.555 172 HD1 HIS 19 HD1 HIS 19 8.551 4.708 6.169 173 HD2 HIS 19 HD2 HIS 19 12.264 5.396 4.434 174 HE1 HIS 19 HE1 HIS 19 10.110 2.947 7.100 175 H GLN 20 H GLN 20 10.631 8.740 3.295 176 HA GLN 20 HA GLN 20 9.044 11.164 2.975 177 HB2 GLN 20 1HB GLN 20 11.597 10.205 1.685 178 HB3 GLN 20 2HB GLN 20 10.763 11.662 1.164 179 HG2 GLN 20 1HG GLN 20 10.977 12.527 3.496 180 HG3 GLN 20 2HG GLN 20 11.976 11.122 3.862 181 HE21 GLN 20 1HE2 GLN 20 12.619 13.978 3.896 182 HE22 GLN 20 2HE2 GLN 20 13.978 14.170 2.837 183 H ARG 21 H ARG 21 7.710 8.784 2.463 184 HA ARG 21 HA ARG 21 6.225 7.882 1.022 185 HB2 ARG 21 1HB ARG 21 7.051 10.121 -0.840 186 HB3 ARG 21 2HB ARG 21 5.667 9.066 -1.065 187 HG2 ARG 21 1HG ARG 21 4.544 9.996 0.803 188 HG3 ARG 21 2HG ARG 21 5.991 10.871 1.316 189 HD2 ARG 21 1HD ARG 21 4.404 11.340 -1.208 190 HD3 ARG 21 2HD ARG 21 4.462 12.394 0.205 191 HE ARG 21 HE ARG 21 6.958 12.521 -0.346 192 HH11 ARG 21 1HH1 ARG 21 4.401 12.256 -2.736 193 HH12 ARG 21 2HH1 ARG 21 5.356 12.962 -4.004 194 HH21 ARG 21 1HH2 ARG 21 8.216 13.415 -2.007 195 HH22 ARG 21 2HH2 ARG 21 7.537 13.595 -3.607 196 H ILE 22 H ILE 22 6.076 7.058 -1.358 197 HA ILE 22 HA ILE 22 8.603 6.476 -2.613 198 HB ILE 22 HB ILE 22 8.545 4.679 -0.991 199 HG12 ILE 22 1HG1 ILE 22 7.726 3.688 -3.729 200 HG13 ILE 22 2HG1 ILE 22 9.358 4.128 -3.235 201 HG21 ILE 22 1HG2 ILE 22 6.172 4.701 -0.469 202 HG22 ILE 22 2HG2 ILE 22 6.710 3.072 -0.871 203 HG23 ILE 22 3HG2 ILE 22 5.803 4.016 -2.053 204 HD11 ILE 22 3HD1 ILE 22 9.338 2.313 -1.602 205 HD12 ILE 22 1HD1 ILE 22 9.075 1.729 -3.245 206 HD13 ILE 22 2HD1 ILE 22 7.716 1.864 -2.129 207 H THR 23 H THR 23 8.333 5.972 -4.792 208 HA THR 23 HA THR 23 5.791 6.744 -5.882 209 HB THR 23 HB THR 23 6.988 6.377 -8.085 210 HG1 THR 23 HG1 THR 23 9.257 6.091 -7.926 211 HG21 THR 23 3HG2 THR 23 8.287 8.215 -6.071 212 HG22 THR 23 1HG2 THR 23 6.853 8.580 -7.029 213 HG23 THR 23 2HG2 THR 23 8.412 8.359 -7.824 214 H GLN 24 H GLN 24 4.724 5.504 -7.581 215 HA GLN 24 HA GLN 24 3.930 2.984 -6.673 216 HB2 GLN 24 1HB GLN 24 2.561 4.468 -8.089 217 HB3 GLN 24 2HB GLN 24 3.630 4.150 -9.446 218 HG2 GLN 24 1HG GLN 24 3.004 1.787 -9.380 219 HG3 GLN 24 2HG GLN 24 1.917 2.121 -8.031 220 HE21 GLN 24 1HE2 GLN 24 2.373 4.335 -10.683 221 HE22 GLN 24 2HE2 GLN 24 0.805 4.131 -11.385 222 H GLU 25 H GLU 25 6.504 3.903 -8.794 223 HA GLU 25 HA GLU 25 7.080 1.657 -10.256 224 HB2 GLU 25 1HB GLU 25 8.346 3.823 -10.238 225 HB3 GLU 25 2HB GLU 25 9.105 3.309 -8.738 226 HG2 GLU 25 1HG GLU 25 10.653 2.844 -10.435 227 HG3 GLU 25 2HG GLU 25 9.937 1.291 -10.001 228 H GLU 26 H GLU 26 8.671 2.348 -7.156 229 HA GLU 26 HA GLU 26 9.440 -0.402 -6.847 230 HB2 GLU 26 1HB GLU 26 10.858 1.542 -6.152 231 HB3 GLU 26 2HB GLU 26 9.696 1.878 -4.878 232 HG2 GLU 26 1HG GLU 26 11.501 0.714 -3.894 233 HG3 GLU 26 2HG GLU 26 10.144 -0.408 -3.975 234 H LEU 27 H LEU 27 6.910 1.693 -5.675 235 HA LEU 27 HA LEU 27 6.170 0.264 -3.379 236 HB2 LEU 27 1HB LEU 27 5.415 2.574 -4.066 237 HB3 LEU 27 2HB LEU 27 4.322 1.811 -5.200 238 HG LEU 27 HG LEU 27 4.152 1.138 -2.275 239 HD11 LEU 27 1HD1 LEU 27 4.111 3.558 -2.363 240 HD12 LEU 27 2HD1 LEU 27 2.492 2.938 -2.039 241 HD13 LEU 27 3HD1 LEU 27 2.909 3.515 -3.652 242 HD21 LEU 27 3HD2 LEU 27 1.811 0.725 -2.831 243 HD22 LEU 27 1HD2 LEU 27 2.867 -0.207 -3.895 244 HD23 LEU 27 2HD2 LEU 27 2.095 1.264 -4.487 245 H HIS 28 H HIS 28 5.143 -0.066 -6.770 246 HA HIS 28 HA HIS 28 3.220 -2.085 -6.209 247 HB2 HIS 28 1HB HIS 28 3.253 -0.666 -8.297 248 HB3 HIS 28 2HB HIS 28 4.617 -1.636 -8.851 249 HD1 HIS 28 HD1 HIS 28 4.067 -4.312 -9.052 250 HD2 HIS 28 HD2 HIS 28 0.825 -1.711 -8.859 251 HE1 HIS 28 HE1 HIS 28 2.046 -5.651 -9.711 252 H GLN 29 H GLN 29 6.616 -2.155 -7.267 253 HA GLN 29 HA GLN 29 6.849 -4.938 -7.549 254 HB2 GLN 29 1HB GLN 29 8.561 -3.161 -8.194 255 HB3 GLN 29 2HB GLN 29 9.009 -3.112 -6.497 256 HG2 GLN 29 1HG GLN 29 9.047 -5.690 -8.004 257 HG3 GLN 29 2HG GLN 29 10.386 -4.554 -8.130 258 HE21 GLN 29 1HE2 GLN 29 10.275 -3.626 -5.426 259 HE22 GLN 29 2HE2 GLN 29 10.836 -4.924 -4.426 260 H TYR 30 H TYR 30 7.139 -2.811 -4.772 261 HA TYR 30 HA TYR 30 7.891 -4.802 -2.890 262 HB2 TYR 30 1HB TYR 30 8.211 -2.267 -2.770 263 HB3 TYR 30 2HB TYR 30 6.522 -2.182 -2.292 264 HD1 TYR 30 HD1 TYR 30 9.590 -4.096 -1.318 265 HD2 TYR 30 HD2 TYR 30 6.117 -1.993 -0.038 266 HE1 TYR 30 HE1 TYR 30 10.264 -4.420 1.026 267 HE2 TYR 30 HE2 TYR 30 6.782 -2.312 2.307 268 HH TYR 30 HH TYR 30 9.871 -3.350 3.224 269 H ALA 31 H ALA 31 4.920 -3.988 -4.369 270 HA ALA 31 HA ALA 31 3.201 -4.739 -2.191 271 HB1 ALA 31 3HB ALA 31 2.616 -4.295 -5.120 272 HB2 ALA 31 1HB ALA 31 2.431 -3.117 -3.821 273 HB3 ALA 31 2HB ALA 31 1.398 -4.546 -3.869 274 H GLN 32 H GLN 32 3.845 -6.145 -5.402 275 HA GLN 32 HA GLN 32 2.607 -8.632 -4.742 276 HB2 GLN 32 1HB GLN 32 4.071 -7.533 -7.045 277 HB3 GLN 32 2HB GLN 32 4.170 -9.272 -6.841 278 HG2 GLN 32 1HG GLN 32 2.371 -8.841 -8.311 279 HG3 GLN 32 2HG GLN 32 1.685 -9.346 -6.773 280 HE21 GLN 32 1HE2 GLN 32 0.482 -7.846 -8.960 281 HE22 GLN 32 2HE2 GLN 32 -0.053 -6.352 -8.274 282 H ARG 33 H ARG 33 5.606 -7.260 -4.120 283 HA ARG 33 HA ARG 33 7.235 -9.536 -3.787 284 HB2 ARG 33 1HB ARG 33 7.974 -7.128 -3.849 285 HB3 ARG 33 2HB ARG 33 7.306 -6.940 -2.236 286 HG2 ARG 33 1HG ARG 33 9.558 -7.244 -1.846 287 HG3 ARG 33 2HG ARG 33 8.893 -8.858 -1.590 288 HD2 ARG 33 1HD ARG 33 9.652 -9.602 -3.709 289 HD3 ARG 33 2HD ARG 33 10.040 -7.958 -4.219 290 HE ARG 33 HE ARG 33 11.479 -8.967 -1.894 291 HH11 ARG 33 1HH1 ARG 33 11.460 -8.308 -5.330 292 HH12 ARG 33 2HH1 ARG 33 13.185 -8.427 -5.504 293 HH21 ARG 33 1HH2 ARG 33 13.762 -9.087 -2.095 294 HH22 ARG 33 2HH2 ARG 33 14.499 -8.859 -3.657 295 H LEU 34 H LEU 34 5.132 -7.742 -1.556 296 HA LEU 34 HA LEU 34 5.811 -9.586 0.592 297 HB2 LEU 34 1HB LEU 34 4.285 -7.002 0.535 298 HB3 LEU 34 2HB LEU 34 4.474 -7.978 1.977 299 HG LEU 34 HG LEU 34 6.692 -6.649 0.424 300 HD11 LEU 34 1HD1 LEU 34 5.318 -5.099 1.713 301 HD12 LEU 34 2HD1 LEU 34 6.923 -5.268 2.426 302 HD13 LEU 34 3HD1 LEU 34 5.543 -6.090 3.155 303 HD21 LEU 34 3HD2 LEU 34 6.813 -8.260 2.976 304 HD22 LEU 34 1HD2 LEU 34 8.162 -7.420 2.208 305 HD23 LEU 34 2HD2 LEU 34 7.400 -8.791 1.400 306 H GLY 35 H GLY 35 3.226 -9.048 -1.631 307 HA2 GLY 35 1HA GLY 35 1.735 -11.045 -1.757 308 HA3 GLY 35 2HA GLY 35 1.579 -10.903 -0.012 309 H LEU 36 H LEU 36 1.464 -8.253 -2.378 310 HA LEU 36 HA LEU 36 -1.300 -7.768 -1.520 311 HB2 LEU 36 1HB LEU 36 0.554 -5.945 -3.059 312 HB3 LEU 36 2HB LEU 36 -1.065 -5.548 -2.514 313 HG LEU 36 HG LEU 36 1.331 -6.066 -0.763 314 HD11 LEU 36 1HD1 LEU 36 1.038 -3.734 -0.111 315 HD12 LEU 36 2HD1 LEU 36 -0.307 -3.584 -1.244 316 HD13 LEU 36 3HD1 LEU 36 1.326 -3.879 -1.844 317 HD21 LEU 36 3HD2 LEU 36 -0.152 -5.507 1.106 318 HD22 LEU 36 1HD2 LEU 36 -0.687 -6.964 0.267 319 HD23 LEU 36 2HD2 LEU 36 -1.517 -5.433 -0.008 320 H ASN 37 H ASN 37 -2.951 -8.041 -2.850 321 HA ASN 37 HA ASN 37 -2.446 -8.485 -5.686 322 HB2 ASN 37 1HB ASN 37 -4.958 -8.905 -5.757 323 HB3 ASN 37 2HB ASN 37 -4.001 -10.069 -4.858 324 HD21 ASN 37 1HD2 ASN 37 -4.691 -6.936 -3.490 325 HD22 ASN 37 2HD2 ASN 37 -5.838 -7.492 -2.316 326 H GLU 38 H GLU 38 -3.764 -7.256 -7.262 327 HA GLU 38 HA GLU 38 -3.231 -4.546 -6.995 328 HB2 GLU 38 1HB GLU 38 -5.272 -5.782 -8.845 329 HB3 GLU 38 2HB GLU 38 -4.487 -4.222 -9.048 330 HG2 GLU 38 1HG GLU 38 -3.212 -5.466 -10.451 331 HG3 GLU 38 2HG GLU 38 -2.304 -5.699 -8.959 332 H GLU 39 H GLU 39 -6.147 -6.309 -6.183 333 HA GLU 39 HA GLU 39 -7.954 -4.223 -5.850 334 HB2 GLU 39 1HB GLU 39 -8.559 -6.579 -5.660 335 HB3 GLU 39 2HB GLU 39 -7.601 -6.726 -4.194 336 HG2 GLU 39 1HG GLU 39 -9.901 -6.599 -3.592 337 HG3 GLU 39 2HG GLU 39 -9.109 -5.103 -3.100 338 H ALA 40 H ALA 40 -5.613 -5.532 -3.532 339 HA ALA 40 HA ALA 40 -6.247 -3.772 -1.409 340 HB1 ALA 40 3HB ALA 40 -4.209 -4.555 -0.354 341 HB2 ALA 40 1HB ALA 40 -3.650 -5.238 -1.885 342 HB3 ALA 40 2HB ALA 40 -5.068 -5.911 -1.083 343 H ILE 41 H ILE 41 -3.999 -3.627 -4.078 344 HA ILE 41 HA ILE 41 -2.548 -1.342 -3.240 345 HB ILE 41 HB ILE 41 -3.066 -2.267 -6.073 346 HG12 ILE 41 1HG1 ILE 41 -0.835 -3.032 -4.174 347 HG13 ILE 41 2HG1 ILE 41 -2.158 -4.080 -4.678 348 HG21 ILE 41 1HG2 ILE 41 -2.155 -0.016 -5.936 349 HG22 ILE 41 2HG2 ILE 41 -0.959 -1.138 -6.588 350 HG23 ILE 41 3HG2 ILE 41 -0.842 -0.597 -4.911 351 HD11 ILE 41 3HD1 ILE 41 -1.355 -3.996 -6.971 352 HD12 ILE 41 1HD1 ILE 41 -0.108 -4.587 -5.872 353 HD13 ILE 41 2HD1 ILE 41 -0.038 -2.931 -6.476 354 H ARG 42 H ARG 42 -5.316 -1.782 -5.411 355 HA ARG 42 HA ARG 42 -5.818 0.872 -6.074 356 HB2 ARG 42 1HB ARG 42 -6.992 -0.873 -7.215 357 HB3 ARG 42 2HB ARG 42 -7.676 -1.482 -5.715 358 HG2 ARG 42 1HG ARG 42 -8.908 0.689 -5.518 359 HG3 ARG 42 2HG ARG 42 -8.352 1.060 -7.150 360 HD2 ARG 42 1HD ARG 42 -9.493 -0.848 -8.041 361 HD3 ARG 42 2HD ARG 42 -9.907 -1.413 -6.423 362 HE ARG 42 HE ARG 42 -11.038 1.044 -6.513 363 HH11 ARG 42 1HH1 ARG 42 -11.224 -1.783 -8.575 364 HH12 ARG 42 2HH1 ARG 42 -12.823 -1.416 -9.150 365 HH21 ARG 42 1HH2 ARG 42 -13.132 1.518 -7.247 366 HH22 ARG 42 2HH2 ARG 42 -13.908 0.479 -8.408 367 H GLN 43 H GLN 43 -7.145 -1.052 -3.409 368 HA GLN 43 HA GLN 43 -8.851 0.806 -2.285 369 HB2 GLN 43 1HB GLN 43 -8.702 -1.574 -1.641 370 HB3 GLN 43 2HB GLN 43 -7.174 -1.250 -0.835 371 HG2 GLN 43 1HG GLN 43 -8.391 0.349 0.653 372 HG3 GLN 43 2HG GLN 43 -9.894 -0.217 -0.076 373 HE21 GLN 43 1HE2 GLN 43 -7.136 -2.263 0.504 374 HE22 GLN 43 2HE2 GLN 43 -7.859 -3.222 1.743 375 H PHE 44 H PHE 44 -5.369 0.484 -1.866 376 HA PHE 44 HA PHE 44 -5.220 2.147 0.441 377 HB2 PHE 44 1HB PHE 44 -3.586 0.306 -0.451 378 HB3 PHE 44 2HB PHE 44 -2.881 1.635 -1.362 379 HD1 PHE 44 HD1 PHE 44 -3.512 0.285 1.988 380 HD2 PHE 44 HD2 PHE 44 -1.589 3.342 -0.265 381 HE1 PHE 44 HE1 PHE 44 -2.201 0.917 3.970 382 HE2 PHE 44 HE2 PHE 44 -0.276 3.981 1.719 383 HZ PHE 44 HZ PHE 44 -0.586 2.764 3.838 384 H PHE 45 H PHE 45 -4.890 2.709 -3.023 385 HA PHE 45 HA PHE 45 -4.031 5.458 -2.579 386 HB2 PHE 45 1HB PHE 45 -4.467 3.838 -5.085 387 HB3 PHE 45 2HB PHE 45 -4.112 5.559 -5.123 388 HD1 PHE 45 HD1 PHE 45 -1.983 6.194 -3.584 389 HD2 PHE 45 HD2 PHE 45 -2.705 2.419 -5.417 390 HE1 PHE 45 HE1 PHE 45 0.430 5.706 -3.523 391 HE2 PHE 45 HE2 PHE 45 -0.292 1.932 -5.362 392 HZ PHE 45 HZ PHE 45 1.278 3.571 -4.418 393 H GLU 46 H GLU 46 -6.808 3.703 -3.822 394 HA GLU 46 HA GLU 46 -8.200 6.001 -4.732 395 HB2 GLU 46 1HB GLU 46 -8.786 4.026 -5.813 396 HB3 GLU 46 2HB GLU 46 -8.918 3.128 -4.309 397 HG2 GLU 46 1HG GLU 46 -10.982 4.137 -3.771 398 HG3 GLU 46 2HG GLU 46 -10.809 5.328 -5.068 399 H GLU 47 H GLU 47 -9.085 3.779 -2.075 400 HA GLU 47 HA GLU 47 -10.822 5.890 -1.063 401 HB2 GLU 47 1HB GLU 47 -10.732 2.921 -0.719 402 HB3 GLU 47 2HB GLU 47 -11.598 3.905 0.458 403 HG2 GLU 47 1HG GLU 47 -12.893 4.872 -1.447 404 HG3 GLU 47 2HG GLU 47 -12.113 3.698 -2.501 405 H PHE 48 H PHE 48 -8.147 6.310 -0.729 406 HA PHE 48 HA PHE 48 -7.395 5.829 2.002 407 HB2 PHE 48 1HB PHE 48 -5.902 6.340 -0.094 408 HB3 PHE 48 2HB PHE 48 -6.282 8.019 0.244 409 HD1 PHE 48 HD1 PHE 48 -5.434 5.156 2.503 410 HD2 PHE 48 HD2 PHE 48 -4.387 9.029 1.061 411 HE1 PHE 48 HE1 PHE 48 -3.577 5.251 4.109 412 HE2 PHE 48 HE2 PHE 48 -2.529 9.123 2.666 413 HZ PHE 48 HZ PHE 48 -2.119 7.234 4.192 414 H GLU 49 H GLU 49 -6.631 8.917 2.007 415 HA GLU 49 HA GLU 49 -8.993 9.840 3.328 416 HB2 GLU 49 1HB GLU 49 -7.792 11.895 3.681 417 HB3 GLU 49 2HB GLU 49 -6.693 10.550 3.959 418 HG2 GLU 49 1HG GLU 49 -5.635 10.884 1.844 419 HG3 GLU 49 2HG GLU 49 -6.832 12.096 1.385 420 H GLN 50 H GLN 50 -8.295 9.422 0.162 421 HA GLN 50 HA GLN 50 -9.406 11.893 -0.875 422 HB2 GLN 50 1HB GLN 50 -8.515 9.390 -2.323 423 HB3 GLN 50 2HB GLN 50 -8.935 10.921 -3.076 424 HG2 GLN 50 1HG GLN 50 -7.053 11.980 -1.861 425 HG3 GLN 50 2HG GLN 50 -6.601 10.389 -1.253 426 HE21 GLN 50 1HE2 GLN 50 -7.364 9.070 -3.760 427 HE22 GLN 50 2HE2 GLN 50 -6.113 9.444 -4.890 428 H ARG 51 H ARG 51 -11.148 10.333 0.748 429 HA ARG 51 HA ARG 51 -13.045 9.177 -1.165 430 HB2 ARG 51 1HB ARG 51 -13.121 9.167 1.859 431 HB3 ARG 51 2HB ARG 51 -14.221 8.306 0.795 432 HG2 ARG 51 1HG ARG 51 -12.538 6.810 0.171 433 HG3 ARG 51 2HG ARG 51 -11.278 7.827 0.887 434 HD2 ARG 51 1HD ARG 51 -13.243 6.040 2.200 435 HD3 ARG 51 2HD ARG 51 -11.559 6.359 2.571 436 HE ARG 51 HE ARG 51 -12.920 8.694 3.130 437 HH11 ARG 51 1HH1 ARG 51 -12.907 5.389 4.302 438 HH12 ARG 51 2HH1 ARG 51 -13.347 5.838 5.926 439 HH21 ARG 51 1HH2 ARG 51 -13.507 9.282 5.224 440 HH22 ARG 51 2HH2 ARG 51 -13.707 8.062 6.442 441 H LYS 52 H LYS 52 -15.410 9.585 -0.126 442 HA LYS 52 HA LYS 52 -16.188 12.208 -0.554 443 HB2 LYS 52 1HB LYS 52 -18.213 11.450 0.921 444 HB3 LYS 52 2HB LYS 52 -17.933 10.690 -0.640 445 HG2 LYS 52 1HG LYS 52 -16.917 8.781 0.404 446 HG3 LYS 52 2HG LYS 52 -16.994 9.558 1.986 447 HD2 LYS 52 1HD LYS 52 -19.368 9.422 2.026 448 HD3 LYS 52 2HD LYS 52 -19.434 8.957 0.324 449 HE2 LYS 52 1HE LYS 52 -18.388 6.841 0.813 450 HE3 LYS 52 2HE LYS 52 -18.141 7.311 2.494 451 HZ1 LYS 52 3HZ LYS 52 -20.068 5.814 2.102 452 HZ2 LYS 52 1HZ LYS 52 -20.815 7.065 1.238 453 HZ3 LYS 52 2HZ LYS 52 -20.464 7.264 2.888 Start of MODEL 38 1 H1 MET 1 1H MET 1 -12.967 -7.510 7.399 2 H2 MET 1 2H MET 1 -14.470 -7.628 6.629 3 H3 MET 1 3H MET 1 -13.344 -6.471 6.114 4 HA MET 1 HA MET 1 -13.077 -9.409 5.923 5 HB2 MET 1 1HB MET 1 -14.634 -8.456 4.281 6 HB3 MET 1 2HB MET 1 -13.432 -7.263 3.810 7 HG2 MET 1 1HG MET 1 -13.605 -9.086 2.195 8 HG3 MET 1 2HG MET 1 -12.003 -8.990 2.922 9 HE1 MET 1 3HE MET 1 -12.462 -12.834 2.297 10 HE2 MET 1 1HE MET 1 -11.407 -11.441 2.051 11 HE3 MET 1 2HE MET 1 -12.992 -11.496 1.279 12 H LYS 2 H LYS 2 -11.083 -10.145 4.982 13 HA LYS 2 HA LYS 2 -8.867 -8.269 5.345 14 HB2 LYS 2 1HB LYS 2 -8.778 -10.495 6.472 15 HB3 LYS 2 2HB LYS 2 -8.806 -11.257 4.888 16 HG2 LYS 2 1HG LYS 2 -6.696 -10.123 4.329 17 HG3 LYS 2 2HG LYS 2 -6.655 -9.451 5.960 18 HD2 LYS 2 1HD LYS 2 -5.247 -11.421 5.833 19 HD3 LYS 2 2HD LYS 2 -6.634 -11.731 6.880 20 HE2 LYS 2 1HE LYS 2 -7.762 -12.891 5.045 21 HE3 LYS 2 2HE LYS 2 -6.385 -12.570 3.991 22 HZ1 LYS 2 3HZ LYS 2 -6.306 -14.194 6.477 23 HZ2 LYS 2 1HZ LYS 2 -4.998 -13.898 5.441 24 HZ3 LYS 2 2HZ LYS 2 -6.319 -14.812 4.900 25 H GLN 3 H GLN 3 -7.393 -7.853 3.707 26 HA GLN 3 HA GLN 3 -8.174 -8.811 1.020 27 HB2 GLN 3 1HB GLN 3 -7.004 -6.093 1.646 28 HB3 GLN 3 2HB GLN 3 -7.561 -6.672 0.084 29 HG2 GLN 3 1HG GLN 3 -9.835 -6.654 0.812 30 HG3 GLN 3 2HG GLN 3 -9.352 -6.281 2.468 31 HE21 GLN 3 1HE2 GLN 3 -11.132 -4.799 0.731 32 HE22 GLN 3 2HE2 GLN 3 -10.430 -3.225 0.546 33 H TRP 4 H TRP 4 -5.555 -6.778 2.141 34 HA TRP 4 HA TRP 4 -3.599 -8.626 1.060 35 HB2 TRP 4 1HB TRP 4 -1.964 -6.777 1.803 36 HB3 TRP 4 2HB TRP 4 -3.025 -6.446 0.446 37 HD1 TRP 4 HD1 TRP 4 -5.341 -5.883 3.102 38 HE1 TRP 4 HE1 TRP 4 -5.415 -3.433 3.846 39 HE3 TRP 4 HE3 TRP 4 -0.903 -4.311 1.123 40 HZ2 TRP 4 HZ2 TRP 4 -3.800 -1.138 3.640 41 HZ3 TRP 4 HZ3 TRP 4 -0.246 -1.971 1.448 42 HH2 TRP 4 HH2 TRP 4 -1.658 -0.417 2.682 43 H SER 5 H SER 5 -1.813 -9.378 2.302 44 HA SER 5 HA SER 5 -2.433 -10.570 4.691 45 HB2 SER 5 1HB SER 5 -0.503 -11.230 3.342 46 HB3 SER 5 2HB SER 5 0.300 -9.712 3.734 47 HG SER 5 HG SER 5 0.286 -11.996 5.116 48 H GLU 6 H GLU 6 -2.520 -9.967 6.748 49 HA GLU 6 HA GLU 6 -2.825 -7.406 7.621 50 HB2 GLU 6 1HB GLU 6 -3.406 -9.495 8.850 51 HB3 GLU 6 2HB GLU 6 -1.709 -9.680 9.267 52 HG2 GLU 6 1HG GLU 6 -1.792 -7.545 10.473 53 HG3 GLU 6 2HG GLU 6 -3.510 -7.417 10.092 54 H ASN 7 H ASN 7 0.194 -9.255 7.551 55 HA ASN 7 HA ASN 7 1.764 -7.322 8.906 56 HB2 ASN 7 1HB ASN 7 2.362 -9.737 8.628 57 HB3 ASN 7 2HB ASN 7 2.709 -9.401 6.933 58 HD21 ASN 7 1HD2 ASN 7 4.849 -9.901 7.060 59 HD22 ASN 7 2HD2 ASN 7 6.002 -8.932 7.924 60 H VAL 8 H VAL 8 0.930 -7.822 5.540 61 HA VAL 8 HA VAL 8 2.817 -5.993 4.428 62 HB VAL 8 HB VAL 8 0.169 -6.878 3.263 63 HG11 VAL 8 1HG1 VAL 8 2.633 -5.716 1.987 64 HG12 VAL 8 2HG1 VAL 8 1.036 -4.975 2.090 65 HG13 VAL 8 3HG1 VAL 8 1.284 -6.417 1.101 66 HG21 VAL 8 3HG2 VAL 8 1.529 -8.807 3.829 67 HG22 VAL 8 1HG2 VAL 8 2.900 -8.114 2.962 68 HG23 VAL 8 2HG2 VAL 8 1.449 -8.594 2.080 69 H GLU 9 H GLU 9 -0.523 -5.796 5.478 70 HA GLU 9 HA GLU 9 -1.236 -3.248 4.666 71 HB2 GLU 9 1HB GLU 9 -2.554 -5.150 5.871 72 HB3 GLU 9 2HB GLU 9 -2.023 -4.371 7.351 73 HG2 GLU 9 1HG GLU 9 -3.472 -2.839 5.231 74 HG3 GLU 9 2HG GLU 9 -4.346 -3.834 6.388 75 H GLU 10 H GLU 10 0.691 -4.294 7.391 76 HA GLU 10 HA GLU 10 0.862 -1.805 8.740 77 HB2 GLU 10 1HB GLU 10 1.266 -3.899 9.882 78 HB3 GLU 10 2HB GLU 10 2.606 -4.270 8.808 79 HG2 GLU 10 1HG GLU 10 3.770 -2.249 9.706 80 HG3 GLU 10 2HG GLU 10 2.475 -2.116 10.898 81 H LYS 11 H LYS 11 3.162 -3.510 6.600 82 HA LYS 11 HA LYS 11 5.162 -1.498 6.864 83 HB2 LYS 11 1HB LYS 11 4.954 -4.098 5.727 84 HB3 LYS 11 2HB LYS 11 5.643 -3.012 4.527 85 HG2 LYS 11 1HG LYS 11 7.446 -3.946 5.727 86 HG3 LYS 11 2HG LYS 11 7.289 -2.282 6.267 87 HD2 LYS 11 1HD LYS 11 7.716 -3.790 8.144 88 HD3 LYS 11 2HD LYS 11 6.130 -3.039 8.288 89 HE2 LYS 11 1HE LYS 11 5.069 -5.051 7.467 90 HE3 LYS 11 2HE LYS 11 6.641 -5.801 7.197 91 HZ1 LYS 11 3HZ LYS 11 7.059 -5.785 9.543 92 HZ2 LYS 11 1HZ LYS 11 5.563 -6.530 9.261 93 HZ3 LYS 11 2HZ LYS 11 5.619 -4.940 9.857 94 H LEU 12 H LEU 12 2.810 -2.248 4.316 95 HA LEU 12 HA LEU 12 3.700 -0.276 2.493 96 HB2 LEU 12 1HB LEU 12 1.229 -1.870 2.855 97 HB3 LEU 12 2HB LEU 12 1.109 -0.429 1.868 98 HG LEU 12 HG LEU 12 1.513 -2.518 0.580 99 HD11 LEU 12 1HD1 LEU 12 3.646 -0.410 0.433 100 HD12 LEU 12 2HD1 LEU 12 2.079 -0.385 -0.379 101 HD13 LEU 12 3HD1 LEU 12 3.289 -1.589 -0.830 102 HD21 LEU 12 3HD2 LEU 12 3.604 -3.616 0.626 103 HD22 LEU 12 1HD2 LEU 12 3.045 -3.514 2.296 104 HD23 LEU 12 2HD2 LEU 12 4.288 -2.409 1.715 105 H LYS 13 H LYS 13 1.523 -0.214 5.219 106 HA LYS 13 HA LYS 13 0.355 2.268 4.984 107 HB2 LYS 13 1HB LYS 13 -0.319 0.853 6.774 108 HB3 LYS 13 2HB LYS 13 1.327 0.745 7.388 109 HG2 LYS 13 1HG LYS 13 1.039 3.343 7.664 110 HG3 LYS 13 2HG LYS 13 -0.675 2.916 7.693 111 HD2 LYS 13 1HD LYS 13 -0.280 1.362 9.519 112 HD3 LYS 13 2HD LYS 13 1.450 1.720 9.471 113 HE2 LYS 13 1HE LYS 13 0.490 2.984 11.263 114 HE3 LYS 13 2HE LYS 13 0.892 4.110 9.963 115 HZ1 LYS 13 3HZ LYS 13 -1.797 3.031 10.641 116 HZ2 LYS 13 1HZ LYS 13 -1.477 3.949 9.253 117 HZ3 LYS 13 2HZ LYS 13 -1.277 4.638 10.786 118 H GLU 14 H GLU 14 3.514 1.406 6.261 119 HA GLU 14 HA GLU 14 4.088 3.947 7.314 120 HB2 GLU 14 1HB GLU 14 5.981 1.730 6.543 121 HB3 GLU 14 2HB GLU 14 6.370 3.102 7.579 122 HG2 GLU 14 1HG GLU 14 4.486 2.346 9.078 123 HG3 GLU 14 2HG GLU 14 4.438 0.866 8.119 124 H PHE 15 H PHE 15 5.097 2.447 4.228 125 HA PHE 15 HA PHE 15 6.751 4.618 3.455 126 HB2 PHE 15 1HB PHE 15 5.326 2.528 1.804 127 HB3 PHE 15 2HB PHE 15 6.440 3.707 1.126 128 HD1 PHE 15 HD1 PHE 15 7.991 3.243 4.048 129 HD2 PHE 15 HD2 PHE 15 6.944 0.968 0.598 130 HE1 PHE 15 HE1 PHE 15 9.885 1.734 4.476 131 HE2 PHE 15 HE2 PHE 15 8.834 -0.548 1.030 132 HZ PHE 15 HZ PHE 15 10.309 -0.164 2.965 133 H VAL 16 H VAL 16 3.305 4.049 3.046 134 HA VAL 16 HA VAL 16 3.167 6.286 1.190 135 HB VAL 16 HB VAL 16 0.857 4.581 2.111 136 HG11 VAL 16 1HG1 VAL 16 1.309 6.241 -0.364 137 HG12 VAL 16 2HG1 VAL 16 0.274 6.674 0.995 138 HG13 VAL 16 3HG1 VAL 16 -0.128 5.283 -0.014 139 HG21 VAL 16 3HG2 VAL 16 1.228 3.235 0.089 140 HG22 VAL 16 1HG2 VAL 16 2.584 3.116 1.209 141 HG23 VAL 16 2HG2 VAL 16 2.714 4.131 -0.228 142 H LYS 17 H LYS 17 2.102 5.478 4.479 143 HA LYS 17 HA LYS 17 0.617 7.977 4.604 144 HB2 LYS 17 1HB LYS 17 -0.589 6.204 5.569 145 HB3 LYS 17 2HB LYS 17 0.806 5.638 6.476 146 HG2 LYS 17 1HG LYS 17 -0.146 6.686 8.200 147 HG3 LYS 17 2HG LYS 17 0.510 8.148 7.475 148 HD2 LYS 17 1HD LYS 17 -2.247 7.069 6.915 149 HD3 LYS 17 2HD LYS 17 -1.899 8.288 8.135 150 HE2 LYS 17 1HE LYS 17 -1.552 8.528 5.151 151 HE3 LYS 17 2HE LYS 17 -2.709 9.376 6.164 152 HZ1 LYS 17 3HZ LYS 17 -0.896 10.826 5.597 153 HZ2 LYS 17 1HZ LYS 17 0.244 9.735 6.220 154 HZ3 LYS 17 2HZ LYS 17 -0.850 10.503 7.260 155 H ARG 18 H ARG 18 3.317 6.471 6.442 156 HA ARG 18 HA ARG 18 3.547 8.988 7.897 157 HB2 ARG 18 1HB ARG 18 5.033 7.850 9.414 158 HB3 ARG 18 2HB ARG 18 3.587 6.882 9.176 159 HG2 ARG 18 1HG ARG 18 4.815 5.428 7.633 160 HG3 ARG 18 2HG ARG 18 6.255 6.414 7.878 161 HD2 ARG 18 1HD ARG 18 4.790 4.938 10.064 162 HD3 ARG 18 2HD ARG 18 6.253 4.362 9.260 163 HE ARG 18 HE ARG 18 6.382 6.983 10.527 164 HH11 ARG 18 1HH1 ARG 18 7.149 3.559 10.719 165 HH12 ARG 18 2HH1 ARG 18 8.380 3.785 11.928 166 HH21 ARG 18 1HH2 ARG 18 7.989 7.262 12.110 167 HH22 ARG 18 2HH2 ARG 18 8.835 5.881 12.732 168 H HIS 19 H HIS 19 5.369 7.025 5.624 169 HA HIS 19 HA HIS 19 7.576 8.873 5.601 170 HB2 HIS 19 1HB HIS 19 6.909 6.397 4.058 171 HB3 HIS 19 2HB HIS 19 8.192 7.464 3.503 172 HD1 HIS 19 HD1 HIS 19 7.305 5.361 6.549 173 HD2 HIS 19 HD2 HIS 19 10.578 7.067 4.651 174 HE1 HIS 19 HE1 HIS 19 9.350 4.536 7.787 175 H GLN 20 H GLN 20 4.915 8.014 3.627 176 HA GLN 20 HA GLN 20 3.939 8.869 1.764 177 HB2 GLN 20 1HB GLN 20 5.052 11.424 2.934 178 HB3 GLN 20 2HB GLN 20 3.855 11.355 1.645 179 HG2 GLN 20 1HG GLN 20 2.284 10.270 3.118 180 HG3 GLN 20 2HG GLN 20 3.486 10.214 4.402 181 HE21 GLN 20 1HE2 GLN 20 4.481 12.908 3.812 182 HE22 GLN 20 2HE2 GLN 20 3.277 13.993 4.406 183 H ARG 21 H ARG 21 6.648 7.869 1.639 184 HA ARG 21 HA ARG 21 7.619 9.316 -0.695 185 HB2 ARG 21 1HB ARG 21 9.283 8.539 1.688 186 HB3 ARG 21 2HB ARG 21 9.970 8.990 0.133 187 HG2 ARG 21 1HG ARG 21 8.938 11.192 0.309 188 HG3 ARG 21 2HG ARG 21 8.237 10.735 1.864 189 HD2 ARG 21 1HD ARG 21 10.471 10.431 2.788 190 HD3 ARG 21 2HD ARG 21 11.183 10.858 1.230 191 HE ARG 21 HE ARG 21 9.493 12.944 2.000 192 HH11 ARG 21 1HH1 ARG 21 12.468 11.434 3.050 193 HH12 ARG 21 2HH1 ARG 21 13.107 12.886 3.763 194 HH21 ARG 21 1HH2 ARG 21 10.313 14.859 2.946 195 HH22 ARG 21 2HH2 ARG 21 11.884 14.842 3.690 196 H ILE 22 H ILE 22 7.547 7.982 -2.292 197 HA ILE 22 HA ILE 22 9.114 5.760 -2.663 198 HB ILE 22 HB ILE 22 7.707 4.688 -0.896 199 HG12 ILE 22 1HG1 ILE 22 7.254 3.410 -3.591 200 HG13 ILE 22 2HG1 ILE 22 8.817 3.427 -2.781 201 HG21 ILE 22 1HG2 ILE 22 5.484 5.029 -2.904 202 HG22 ILE 22 2HG2 ILE 22 5.591 5.785 -1.315 203 HG23 ILE 22 3HG2 ILE 22 5.393 4.036 -1.450 204 HD11 ILE 22 3HD1 ILE 22 7.864 2.187 -0.914 205 HD12 ILE 22 1HD1 ILE 22 7.657 1.324 -2.437 206 HD13 ILE 22 2HD1 ILE 22 6.295 2.183 -1.717 207 H THR 23 H THR 23 8.882 4.992 -4.829 208 HA THR 23 HA THR 23 7.108 6.664 -6.434 209 HB THR 23 HB THR 23 8.312 5.695 -8.392 210 HG1 THR 23 HG1 THR 23 10.434 4.720 -7.007 211 HG21 THR 23 3HG2 THR 23 10.439 6.861 -7.974 212 HG22 THR 23 1HG2 THR 23 10.057 6.923 -6.253 213 HG23 THR 23 2HG2 THR 23 9.055 7.799 -7.409 214 H GLN 24 H GLN 24 5.882 5.632 -8.241 215 HA GLN 24 HA GLN 24 4.124 3.743 -7.079 216 HB2 GLN 24 1HB GLN 24 3.422 5.475 -8.698 217 HB3 GLN 24 2HB GLN 24 4.286 4.613 -9.967 218 HG2 GLN 24 1HG GLN 24 2.812 2.761 -9.829 219 HG3 GLN 24 2HG GLN 24 2.074 3.380 -8.353 220 HE21 GLN 24 1HE2 GLN 24 0.858 2.646 -10.904 221 HE22 GLN 24 2HE2 GLN 24 0.007 4.058 -11.448 222 H GLU 25 H GLU 25 6.729 3.423 -9.433 223 HA GLU 25 HA GLU 25 6.213 0.709 -10.095 224 HB2 GLU 25 1HB GLU 25 7.652 2.157 -11.466 225 HB3 GLU 25 2HB GLU 25 8.819 2.244 -10.154 226 HG2 GLU 25 1HG GLU 25 9.149 -0.188 -10.322 227 HG3 GLU 25 2HG GLU 25 8.036 -0.222 -11.688 228 H GLU 26 H GLU 26 8.325 2.276 -7.747 229 HA GLU 26 HA GLU 26 9.453 -0.042 -6.612 230 HB2 GLU 26 1HB GLU 26 10.393 2.197 -6.359 231 HB3 GLU 26 2HB GLU 26 8.976 2.712 -5.463 232 HG2 GLU 26 1HG GLU 26 9.552 1.176 -3.662 233 HG3 GLU 26 2HG GLU 26 10.970 0.647 -4.570 234 H LEU 27 H LEU 27 6.561 1.818 -5.896 235 HA LEU 27 HA LEU 27 5.713 0.558 -3.560 236 HB2 LEU 27 1HB LEU 27 4.764 2.596 -4.848 237 HB3 LEU 27 2HB LEU 27 3.856 1.421 -5.771 238 HG LEU 27 HG LEU 27 2.538 2.484 -3.971 239 HD11 LEU 27 1HD1 LEU 27 2.973 -0.478 -3.598 240 HD12 LEU 27 2HD1 LEU 27 1.881 0.282 -4.754 241 HD13 LEU 27 3HD1 LEU 27 1.580 0.441 -3.024 242 HD21 LEU 27 3HD2 LEU 27 4.330 2.798 -2.351 243 HD22 LEU 27 1HD2 LEU 27 4.449 1.053 -2.128 244 HD23 LEU 27 2HD2 LEU 27 2.985 1.908 -1.639 245 H HIS 28 H HIS 28 5.157 -0.296 -6.969 246 HA HIS 28 HA HIS 28 3.385 -2.426 -6.303 247 HB2 HIS 28 1HB HIS 28 3.367 -1.107 -8.470 248 HB3 HIS 28 2HB HIS 28 4.772 -2.057 -8.953 249 HD1 HIS 28 HD1 HIS 28 4.328 -4.758 -9.015 250 HD2 HIS 28 HD2 HIS 28 0.984 -2.290 -8.950 251 HE1 HIS 28 HE1 HIS 28 2.361 -6.213 -9.607 252 H GLN 29 H GLN 29 6.847 -2.279 -7.106 253 HA GLN 29 HA GLN 29 7.142 -5.094 -7.333 254 HB2 GLN 29 1HB GLN 29 9.538 -4.727 -7.153 255 HB3 GLN 29 2HB GLN 29 8.825 -3.543 -8.231 256 HG2 GLN 29 1HG GLN 29 10.282 -2.250 -7.039 257 HG3 GLN 29 2HG GLN 29 8.801 -2.031 -6.113 258 HE21 GLN 29 1HE2 GLN 29 10.730 -4.945 -6.036 259 HE22 GLN 29 2HE2 GLN 29 11.282 -4.766 -4.407 260 H TYR 30 H TYR 30 7.107 -2.875 -4.667 261 HA TYR 30 HA TYR 30 7.990 -4.760 -2.697 262 HB2 TYR 30 1HB TYR 30 8.143 -2.217 -2.580 263 HB3 TYR 30 2HB TYR 30 6.421 -2.221 -2.226 264 HD1 TYR 30 HD1 TYR 30 9.464 -4.037 -1.026 265 HD2 TYR 30 HD2 TYR 30 5.893 -1.965 0.001 266 HE1 TYR 30 HE1 TYR 30 9.981 -4.340 1.359 267 HE2 TYR 30 HE2 TYR 30 6.396 -2.266 2.388 268 HH TYR 30 HH TYR 30 9.408 -3.165 3.532 269 H ALA 31 H ALA 31 5.060 -4.135 -4.341 270 HA ALA 31 HA ALA 31 3.224 -4.969 -2.316 271 HB1 ALA 31 3HB ALA 31 2.892 -4.798 -5.321 272 HB2 ALA 31 1HB ALA 31 2.491 -3.537 -4.154 273 HB3 ALA 31 2HB ALA 31 1.582 -5.050 -4.166 274 H GLN 32 H GLN 32 4.387 -6.509 -5.304 275 HA GLN 32 HA GLN 32 3.165 -9.004 -4.765 276 HB2 GLN 32 1HB GLN 32 5.490 -8.365 -6.584 277 HB3 GLN 32 2HB GLN 32 4.569 -9.862 -6.594 278 HG2 GLN 32 1HG GLN 32 2.572 -8.659 -7.252 279 HG3 GLN 32 2HG GLN 32 3.449 -7.131 -7.180 280 HE21 GLN 32 1HE2 GLN 32 2.957 -10.074 -8.954 281 HE22 GLN 32 2HE2 GLN 32 3.807 -9.595 -10.387 282 H ARG 33 H ARG 33 6.176 -7.592 -3.788 283 HA ARG 33 HA ARG 33 7.536 -10.001 -3.169 284 HB2 ARG 33 1HB ARG 33 8.657 -7.820 -3.502 285 HB3 ARG 33 2HB ARG 33 7.968 -7.259 -1.985 286 HG2 ARG 33 1HG ARG 33 10.253 -7.927 -1.639 287 HG3 ARG 33 2HG ARG 33 9.172 -9.044 -0.805 288 HD2 ARG 33 1HD ARG 33 10.250 -9.616 -3.551 289 HD3 ARG 33 2HD ARG 33 11.129 -10.056 -2.089 290 HE ARG 33 HE ARG 33 8.804 -11.210 -1.585 291 HH11 ARG 33 1HH1 ARG 33 10.644 -11.157 -4.562 292 HH12 ARG 33 2HH1 ARG 33 10.038 -12.690 -5.116 293 HH21 ARG 33 1HH2 ARG 33 8.035 -13.240 -2.289 294 HH22 ARG 33 2HH2 ARG 33 8.560 -13.870 -3.822 295 H LEU 34 H LEU 34 5.428 -7.884 -1.250 296 HA LEU 34 HA LEU 34 5.883 -9.570 1.071 297 HB2 LEU 34 1HB LEU 34 4.477 -6.955 0.669 298 HB3 LEU 34 2HB LEU 34 4.355 -7.859 2.158 299 HG LEU 34 HG LEU 34 6.821 -6.611 0.973 300 HD11 LEU 34 1HD1 LEU 34 6.866 -5.382 3.068 301 HD12 LEU 34 2HD1 LEU 34 5.421 -6.232 3.615 302 HD13 LEU 34 3HD1 LEU 34 5.334 -5.138 2.235 303 HD21 LEU 34 3HD2 LEU 34 6.631 -8.431 3.371 304 HD22 LEU 34 1HD2 LEU 34 8.068 -7.555 2.845 305 HD23 LEU 34 2HD2 LEU 34 7.391 -8.831 1.830 306 H GLY 35 H GLY 35 3.399 -8.933 -1.309 307 HA2 GLY 35 1HA GLY 35 1.850 -10.869 -1.574 308 HA3 GLY 35 2HA GLY 35 1.668 -10.824 0.176 309 H LEU 36 H LEU 36 1.713 -8.054 -2.026 310 HA LEU 36 HA LEU 36 -0.895 -7.242 -1.045 311 HB2 LEU 36 1HB LEU 36 1.368 -5.921 -2.150 312 HB3 LEU 36 2HB LEU 36 0.008 -5.657 -3.221 313 HG LEU 36 HG LEU 36 -0.110 -5.037 -0.282 314 HD11 LEU 36 1HD1 LEU 36 1.648 -3.698 -1.286 315 HD12 LEU 36 2HD1 LEU 36 0.238 -2.705 -0.914 316 HD13 LEU 36 3HD1 LEU 36 0.551 -3.207 -2.576 317 HD21 LEU 36 3HD2 LEU 36 -1.864 -4.526 -2.641 318 HD22 LEU 36 1HD2 LEU 36 -1.890 -3.444 -1.251 319 HD23 LEU 36 2HD2 LEU 36 -2.284 -5.144 -1.044 320 H ASN 37 H ASN 37 -2.695 -7.262 -2.161 321 HA ASN 37 HA ASN 37 -2.744 -8.387 -4.864 322 HB2 ASN 37 1HB ASN 37 -5.265 -8.594 -4.276 323 HB3 ASN 37 2HB ASN 37 -4.138 -9.720 -3.524 324 HD21 ASN 37 1HD2 ASN 37 -5.867 -6.682 -3.000 325 HD22 ASN 37 2HD2 ASN 37 -5.985 -6.856 -1.283 326 H GLU 38 H GLU 38 -4.081 -7.345 -6.440 327 HA GLU 38 HA GLU 38 -3.602 -4.611 -6.586 328 HB2 GLU 38 1HB GLU 38 -5.571 -6.283 -8.142 329 HB3 GLU 38 2HB GLU 38 -5.118 -4.636 -8.559 330 HG2 GLU 38 1HG GLU 38 -2.787 -5.365 -8.827 331 HG3 GLU 38 2HG GLU 38 -3.282 -7.018 -8.460 332 H GLU 39 H GLU 39 -6.396 -6.331 -5.400 333 HA GLU 39 HA GLU 39 -8.361 -4.402 -5.357 334 HB2 GLU 39 1HB GLU 39 -8.883 -6.618 -4.692 335 HB3 GLU 39 2HB GLU 39 -7.635 -6.621 -3.458 336 HG2 GLU 39 1HG GLU 39 -8.909 -5.215 -2.039 337 HG3 GLU 39 2HG GLU 39 -10.079 -4.876 -3.318 338 H ALA 40 H ALA 40 -5.831 -5.000 -2.953 339 HA ALA 40 HA ALA 40 -6.679 -2.735 -1.366 340 HB1 ALA 40 3HB ALA 40 -4.800 -3.404 0.117 341 HB2 ALA 40 1HB ALA 40 -4.415 -4.696 -1.018 342 HB3 ALA 40 2HB ALA 40 -5.962 -4.695 -0.176 343 H ILE 41 H ILE 41 -4.319 -3.482 -3.801 344 HA ILE 41 HA ILE 41 -2.435 -1.504 -3.212 345 HB ILE 41 HB ILE 41 -3.134 -2.534 -5.967 346 HG12 ILE 41 1HG1 ILE 41 -1.077 -3.482 -3.959 347 HG13 ILE 41 2HG1 ILE 41 -2.514 -4.366 -4.468 348 HG21 ILE 41 1HG2 ILE 41 -1.844 -0.462 -6.019 349 HG22 ILE 41 2HG2 ILE 41 -0.856 -1.824 -6.555 350 HG23 ILE 41 3HG2 ILE 41 -0.652 -1.169 -4.928 351 HD11 ILE 41 3HD1 ILE 41 -1.596 -4.497 -6.742 352 HD12 ILE 41 1HD1 ILE 41 -0.543 -5.249 -5.542 353 HD13 ILE 41 2HD1 ILE 41 -0.147 -3.656 -6.187 354 H ARG 42 H ARG 42 -5.025 -1.438 -5.658 355 HA ARG 42 HA ARG 42 -4.731 1.291 -6.284 356 HB2 ARG 42 1HB ARG 42 -5.839 -0.053 -7.876 357 HB3 ARG 42 2HB ARG 42 -6.975 -0.675 -6.690 358 HG2 ARG 42 1HG ARG 42 -7.928 1.612 -6.513 359 HG3 ARG 42 2HG ARG 42 -6.872 2.093 -7.839 360 HD2 ARG 42 1HD ARG 42 -8.006 0.788 -9.387 361 HD3 ARG 42 2HD ARG 42 -8.704 -0.252 -8.144 362 HE ARG 42 HE ARG 42 -9.653 2.362 -7.754 363 HH11 ARG 42 1HH1 ARG 42 -9.917 -0.181 -10.163 364 HH12 ARG 42 2HH1 ARG 42 -11.581 0.175 -10.538 365 HH21 ARG 42 1HH2 ARG 42 -11.798 2.871 -8.287 366 HH22 ARG 42 2HH2 ARG 42 -12.644 1.937 -9.484 367 H GLN 43 H GLN 43 -6.824 -0.400 -3.999 368 HA GLN 43 HA GLN 43 -8.483 1.760 -3.349 369 HB2 GLN 43 1HB GLN 43 -9.082 -0.512 -2.769 370 HB3 GLN 43 2HB GLN 43 -7.685 -0.646 -1.710 371 HG2 GLN 43 1HG GLN 43 -8.604 0.852 -0.137 372 HG3 GLN 43 2HG GLN 43 -9.858 1.373 -1.259 373 HE21 GLN 43 1HE2 GLN 43 -11.445 0.878 0.287 374 HE22 GLN 43 2HE2 GLN 43 -11.922 -0.762 0.591 375 H PHE 44 H PHE 44 -5.372 0.744 -1.972 376 HA PHE 44 HA PHE 44 -5.471 2.562 0.211 377 HB2 PHE 44 1HB PHE 44 -4.006 0.461 -0.037 378 HB3 PHE 44 2HB PHE 44 -2.929 1.488 -0.982 379 HD1 PHE 44 HD1 PHE 44 -4.820 1.758 2.222 380 HD2 PHE 44 HD2 PHE 44 -1.119 2.301 0.196 381 HE1 PHE 44 HE1 PHE 44 -3.809 2.575 4.308 382 HE2 PHE 44 HE2 PHE 44 -0.096 3.124 2.282 383 HZ PHE 44 HZ PHE 44 -1.449 3.268 4.339 384 H PHE 45 H PHE 45 -4.649 2.915 -3.111 385 HA PHE 45 HA PHE 45 -3.242 5.403 -2.750 386 HB2 PHE 45 1HB PHE 45 -4.224 3.886 -5.139 387 HB3 PHE 45 2HB PHE 45 -3.764 5.575 -5.309 388 HD1 PHE 45 HD1 PHE 45 -1.426 6.237 -4.503 389 HD2 PHE 45 HD2 PHE 45 -2.616 2.221 -5.246 390 HE1 PHE 45 HE1 PHE 45 0.935 5.589 -4.748 391 HE2 PHE 45 HE2 PHE 45 -0.259 1.564 -5.490 392 HZ PHE 45 HZ PHE 45 1.521 3.250 -5.241 393 H GLU 46 H GLU 46 -6.388 4.621 -4.283 394 HA GLU 46 HA GLU 46 -7.059 7.372 -4.561 395 HB2 GLU 46 1HB GLU 46 -9.037 6.642 -5.582 396 HB3 GLU 46 2HB GLU 46 -7.879 5.374 -5.939 397 HG2 GLU 46 1HG GLU 46 -8.822 4.037 -4.074 398 HG3 GLU 46 2HG GLU 46 -10.038 5.293 -3.852 399 H GLU 47 H GLU 47 -7.916 4.888 -2.267 400 HA GLU 47 HA GLU 47 -9.736 6.709 -0.870 401 HB2 GLU 47 1HB GLU 47 -10.586 4.515 -1.560 402 HB3 GLU 47 2HB GLU 47 -9.309 3.718 -0.663 403 HG2 GLU 47 1HG GLU 47 -10.285 4.812 1.405 404 HG3 GLU 47 2HG GLU 47 -11.669 5.241 0.398 405 H PHE 48 H PHE 48 -6.707 6.574 -0.866 406 HA PHE 48 HA PHE 48 -5.557 5.608 1.425 407 HB2 PHE 48 1HB PHE 48 -4.325 6.644 -0.426 408 HB3 PHE 48 2HB PHE 48 -4.963 8.220 0.020 409 HD1 PHE 48 HD1 PHE 48 -3.231 5.395 1.742 410 HD2 PHE 48 HD2 PHE 48 -3.499 9.590 1.080 411 HE1 PHE 48 HE1 PHE 48 -1.313 5.754 3.244 412 HE2 PHE 48 HE2 PHE 48 -1.585 9.955 2.576 413 HZ PHE 48 HZ PHE 48 -0.492 8.036 3.662 414 H GLU 49 H GLU 49 -7.241 8.668 1.014 415 HA GLU 49 HA GLU 49 -7.110 9.092 3.919 416 HB2 GLU 49 1HB GLU 49 -7.113 11.564 3.304 417 HB3 GLU 49 2HB GLU 49 -5.627 10.676 2.978 418 HG2 GLU 49 1HG GLU 49 -6.357 10.411 0.630 419 HG3 GLU 49 2HG GLU 49 -7.755 11.423 0.986 420 H GLN 50 H GLN 50 -9.129 8.078 1.773 421 HA GLN 50 HA GLN 50 -11.323 9.948 2.357 422 HB2 GLN 50 1HB GLN 50 -11.177 7.801 0.229 423 HB3 GLN 50 2HB GLN 50 -12.468 8.978 0.429 424 HG2 GLN 50 1HG GLN 50 -10.812 10.777 -0.016 425 HG3 GLN 50 2HG GLN 50 -9.618 9.526 -0.363 426 HE21 GLN 50 1HE2 GLN 50 -11.660 7.791 -1.605 427 HE22 GLN 50 2HE2 GLN 50 -11.963 8.476 -3.164 428 H ARG 51 H ARG 51 -10.114 7.662 3.957 429 HA ARG 51 HA ARG 51 -12.318 5.784 4.104 430 HB2 ARG 51 1HB ARG 51 -9.628 5.949 5.438 431 HB3 ARG 51 2HB ARG 51 -10.836 4.760 5.914 432 HG2 ARG 51 1HG ARG 51 -10.770 3.705 3.835 433 HG3 ARG 51 2HG ARG 51 -9.945 5.067 3.080 434 HD2 ARG 51 1HD ARG 51 -7.911 4.550 4.072 435 HD3 ARG 51 2HD ARG 51 -8.664 3.517 5.296 436 HE ARG 51 HE ARG 51 -8.986 2.629 2.557 437 HH11 ARG 51 1HH1 ARG 51 -7.106 2.403 5.511 438 HH12 ARG 51 2HH1 ARG 51 -6.386 0.872 5.082 439 HH21 ARG 51 1HH2 ARG 51 -8.036 0.613 2.003 440 HH22 ARG 51 2HH2 ARG 51 -6.913 -0.132 3.094 441 H LYS 52 H LYS 52 -14.037 6.451 5.112 442 HA LYS 52 HA LYS 52 -13.987 8.460 7.147 443 HB2 LYS 52 1HB LYS 52 -16.281 6.730 6.202 444 HB3 LYS 52 2HB LYS 52 -16.417 8.208 7.146 445 HG2 LYS 52 1HG LYS 52 -15.495 9.488 5.285 446 HG3 LYS 52 2HG LYS 52 -15.342 8.012 4.336 447 HD2 LYS 52 1HD LYS 52 -17.323 9.096 3.606 448 HD3 LYS 52 2HD LYS 52 -17.834 7.725 4.588 449 HE2 LYS 52 1HE LYS 52 -17.511 10.446 5.795 450 HE3 LYS 52 2HE LYS 52 -18.981 10.017 4.925 451 HZ1 LYS 52 3HZ LYS 52 -17.924 8.390 7.167 452 HZ2 LYS 52 1HZ LYS 52 -19.464 8.328 6.467 453 HZ3 LYS 52 2HZ LYS 52 -19.008 9.668 7.399 Start of MODEL 39 1 H1 MET 1 1H MET 1 -12.728 -7.871 4.139 2 H2 MET 1 2H MET 1 -12.188 -7.678 5.728 3 H3 MET 1 3H MET 1 -13.582 -8.595 5.418 4 HA MET 1 HA MET 1 -11.808 -10.080 5.874 5 HB2 MET 1 1HB MET 1 -13.373 -10.770 4.116 6 HB3 MET 1 2HB MET 1 -12.428 -9.911 2.908 7 HG2 MET 1 1HG MET 1 -10.566 -11.441 3.257 8 HG3 MET 1 2HG MET 1 -11.485 -12.283 4.503 9 HE1 MET 1 3HE MET 1 -14.388 -12.338 3.349 10 HE2 MET 1 1HE MET 1 -13.632 -13.780 4.025 11 HE3 MET 1 2HE MET 1 -14.418 -13.855 2.448 12 H LYS 2 H LYS 2 -9.592 -10.615 5.736 13 HA LYS 2 HA LYS 2 -7.854 -8.468 5.105 14 HB2 LYS 2 1HB LYS 2 -7.227 -11.376 5.649 15 HB3 LYS 2 2HB LYS 2 -6.038 -10.081 5.591 16 HG2 LYS 2 1HG LYS 2 -7.209 -8.981 7.474 17 HG3 LYS 2 2HG LYS 2 -8.298 -10.364 7.563 18 HD2 LYS 2 1HD LYS 2 -5.306 -10.412 7.961 19 HD3 LYS 2 2HD LYS 2 -6.532 -10.563 9.221 20 HE2 LYS 2 1HE LYS 2 -7.354 -12.615 8.086 21 HE3 LYS 2 2HE LYS 2 -6.005 -12.486 6.960 22 HZ1 LYS 2 3HZ LYS 2 -5.871 -12.943 9.888 23 HZ2 LYS 2 1HZ LYS 2 -4.513 -12.584 8.936 24 HZ3 LYS 2 2HZ LYS 2 -5.398 -14.005 8.657 25 H GLN 3 H GLN 3 -7.023 -7.900 3.291 26 HA GLN 3 HA GLN 3 -7.116 -9.730 0.985 27 HB2 GLN 3 1HB GLN 3 -7.283 -6.719 1.142 28 HB3 GLN 3 2HB GLN 3 -6.999 -7.579 -0.364 29 HG2 GLN 3 1HG GLN 3 -9.398 -8.008 1.395 30 HG3 GLN 3 2HG GLN 3 -9.357 -6.911 0.015 31 HE21 GLN 3 1HE2 GLN 3 -11.017 -9.246 0.442 32 HE22 GLN 3 2HE2 GLN 3 -10.708 -10.308 -0.890 33 H TRP 4 H TRP 4 -5.312 -6.942 2.219 34 HA TRP 4 HA TRP 4 -2.798 -7.674 1.191 35 HB2 TRP 4 1HB TRP 4 -2.510 -6.455 3.771 36 HB3 TRP 4 2HB TRP 4 -2.192 -5.746 2.200 37 HD1 TRP 4 HD1 TRP 4 -5.485 -6.418 4.176 38 HE1 TRP 4 HE1 TRP 4 -6.907 -4.277 4.064 39 HE3 TRP 4 HE3 TRP 4 -2.296 -3.509 1.488 40 HZ2 TRP 4 HZ2 TRP 4 -6.705 -1.701 2.957 41 HZ3 TRP 4 HZ3 TRP 4 -2.986 -1.213 0.933 42 HH2 TRP 4 HH2 TRP 4 -5.142 -0.331 1.660 43 H SER 5 H SER 5 -1.095 -8.803 2.268 44 HA SER 5 HA SER 5 -1.699 -10.756 4.183 45 HB2 SER 5 1HB SER 5 0.369 -10.903 2.937 46 HB3 SER 5 2HB SER 5 0.900 -9.331 3.528 47 HG SER 5 HG SER 5 1.154 -11.786 4.647 48 H GLU 6 H GLU 6 -2.255 -10.499 6.253 49 HA GLU 6 HA GLU 6 -2.926 -8.333 7.624 50 HB2 GLU 6 1HB GLU 6 -3.100 -10.653 8.439 51 HB3 GLU 6 2HB GLU 6 -1.395 -10.620 8.861 52 HG2 GLU 6 1HG GLU 6 -1.829 -8.823 10.463 53 HG3 GLU 6 2HG GLU 6 -3.542 -8.874 10.043 54 H ASN 7 H ASN 7 0.440 -9.463 7.491 55 HA ASN 7 HA ASN 7 1.416 -7.449 9.267 56 HB2 ASN 7 1HB ASN 7 2.743 -9.367 7.391 57 HB3 ASN 7 2HB ASN 7 3.670 -8.189 8.313 58 HD21 ASN 7 1HD2 ASN 7 3.788 -8.392 10.557 59 HD22 ASN 7 2HD2 ASN 7 3.415 -9.888 11.351 60 H VAL 8 H VAL 8 0.870 -7.613 5.843 61 HA VAL 8 HA VAL 8 2.756 -5.569 5.137 62 HB VAL 8 HB VAL 8 0.464 -6.806 3.611 63 HG11 VAL 8 1HG1 VAL 8 2.584 -4.889 2.652 64 HG12 VAL 8 2HG1 VAL 8 0.854 -4.562 2.785 65 HG13 VAL 8 3HG1 VAL 8 1.440 -5.748 1.621 66 HG21 VAL 8 3HG2 VAL 8 2.255 -7.937 2.368 67 HG22 VAL 8 1HG2 VAL 8 2.282 -8.344 4.084 68 HG23 VAL 8 2HG2 VAL 8 3.451 -7.195 3.432 69 H GLU 9 H GLU 9 -0.654 -5.761 5.908 70 HA GLU 9 HA GLU 9 -1.519 -3.249 5.097 71 HB2 GLU 9 1HB GLU 9 -2.901 -5.143 6.048 72 HB3 GLU 9 2HB GLU 9 -2.346 -4.651 7.645 73 HG2 GLU 9 1HG GLU 9 -3.305 -2.370 7.140 74 HG3 GLU 9 2HG GLU 9 -4.051 -3.096 5.718 75 H GLU 10 H GLU 10 0.151 -4.248 8.030 76 HA GLU 10 HA GLU 10 0.221 -1.702 9.284 77 HB2 GLU 10 1HB GLU 10 0.585 -3.640 10.631 78 HB3 GLU 10 2HB GLU 10 1.880 -4.209 9.587 79 HG2 GLU 10 1HG GLU 10 3.170 -2.159 10.264 80 HG3 GLU 10 2HG GLU 10 1.924 -1.876 11.479 81 H LYS 11 H LYS 11 2.638 -3.536 7.444 82 HA LYS 11 HA LYS 11 4.676 -1.635 7.632 83 HB2 LYS 11 1HB LYS 11 4.204 -3.924 5.764 84 HB3 LYS 11 2HB LYS 11 5.644 -2.918 5.663 85 HG2 LYS 11 1HG LYS 11 4.875 -4.098 8.284 86 HG3 LYS 11 2HG LYS 11 5.638 -5.105 7.069 87 HD2 LYS 11 1HD LYS 11 7.624 -3.910 7.126 88 HD3 LYS 11 2HD LYS 11 6.853 -2.476 7.801 89 HE2 LYS 11 1HE LYS 11 7.204 -5.083 9.269 90 HE3 LYS 11 2HE LYS 11 8.284 -3.696 9.419 91 HZ1 LYS 11 3HZ LYS 11 6.306 -2.386 10.136 92 HZ2 LYS 11 1HZ LYS 11 6.739 -3.628 11.211 93 HZ3 LYS 11 2HZ LYS 11 5.414 -3.828 10.178 94 H LEU 12 H LEU 12 2.113 -2.030 5.271 95 HA LEU 12 HA LEU 12 3.178 -0.277 3.319 96 HB2 LEU 12 1HB LEU 12 1.249 -1.999 3.144 97 HB3 LEU 12 2HB LEU 12 0.238 -0.703 3.754 98 HG LEU 12 HG LEU 12 0.908 0.696 1.819 99 HD11 LEU 12 1HD1 LEU 12 3.061 -0.249 1.318 100 HD12 LEU 12 2HD1 LEU 12 2.013 -0.450 -0.085 101 HD13 LEU 12 3HD1 LEU 12 2.337 -1.819 0.975 102 HD21 LEU 12 3HD2 LEU 12 -0.244 -1.997 1.100 103 HD22 LEU 12 1HD2 LEU 12 -0.393 -0.517 0.151 104 HD23 LEU 12 2HD2 LEU 12 -1.144 -0.622 1.744 105 H LYS 13 H LYS 13 1.000 0.168 6.066 106 HA LYS 13 HA LYS 13 0.427 2.879 5.738 107 HB2 LYS 13 1HB LYS 13 -0.719 1.475 7.372 108 HB3 LYS 13 2HB LYS 13 0.771 1.260 8.268 109 HG2 LYS 13 1HG LYS 13 -0.296 4.015 7.882 110 HG3 LYS 13 2HG LYS 13 -1.065 2.957 9.061 111 HD2 LYS 13 1HD LYS 13 1.847 3.761 9.004 112 HD3 LYS 13 2HD LYS 13 0.623 4.360 10.123 113 HE2 LYS 13 1HE LYS 13 1.605 1.508 9.910 114 HE3 LYS 13 2HE LYS 13 2.013 2.655 11.182 115 HZ1 LYS 13 3HZ LYS 13 0.298 1.131 11.900 116 HZ2 LYS 13 1HZ LYS 13 -0.700 1.584 10.607 117 HZ3 LYS 13 2HZ LYS 13 -0.326 2.705 11.821 118 H GLU 14 H GLU 14 3.167 1.287 7.245 119 HA GLU 14 HA GLU 14 4.387 3.648 8.225 120 HB2 GLU 14 1HB GLU 14 5.730 1.042 7.510 121 HB3 GLU 14 2HB GLU 14 6.335 2.274 8.608 122 HG2 GLU 14 1HG GLU 14 4.413 1.841 10.095 123 HG3 GLU 14 2HG GLU 14 3.912 0.536 9.017 124 H PHE 15 H PHE 15 5.128 1.621 5.379 125 HA PHE 15 HA PHE 15 7.347 3.227 4.664 126 HB2 PHE 15 1HB PHE 15 7.092 0.798 4.199 127 HB3 PHE 15 2HB PHE 15 5.850 1.184 3.019 128 HD1 PHE 15 HD1 PHE 15 9.157 2.766 3.680 129 HD2 PHE 15 HD2 PHE 15 6.710 0.599 0.959 130 HE1 PHE 15 HE1 PHE 15 10.912 2.947 1.967 131 HE2 PHE 15 HE2 PHE 15 8.459 0.771 -0.759 132 HZ PHE 15 HZ PHE 15 10.564 1.948 -0.258 133 H VAL 16 H VAL 16 3.996 3.591 4.079 134 HA VAL 16 HA VAL 16 4.470 5.301 1.762 135 HB VAL 16 HB VAL 16 1.883 4.407 3.037 136 HG11 VAL 16 1HG1 VAL 16 2.282 6.125 0.583 137 HG12 VAL 16 2HG1 VAL 16 1.659 6.683 2.137 138 HG13 VAL 16 3HG1 VAL 16 0.739 5.516 1.186 139 HG21 VAL 16 3HG2 VAL 16 3.135 3.770 0.366 140 HG22 VAL 16 1HG2 VAL 16 1.575 3.180 0.941 141 HG23 VAL 16 2HG2 VAL 16 3.060 2.684 1.754 142 H LYS 17 H LYS 17 2.690 5.652 4.878 143 HA LYS 17 HA LYS 17 2.708 8.521 4.403 144 HB2 LYS 17 1HB LYS 17 0.970 8.709 5.951 145 HB3 LYS 17 2HB LYS 17 0.655 7.204 5.113 146 HG2 LYS 17 1HG LYS 17 0.222 6.586 7.261 147 HG3 LYS 17 2HG LYS 17 1.926 6.160 7.149 148 HD2 LYS 17 1HD LYS 17 1.631 7.291 9.223 149 HD3 LYS 17 2HD LYS 17 2.470 8.397 8.144 150 HE2 LYS 17 1HE LYS 17 -0.496 8.463 8.721 151 HE3 LYS 17 2HE LYS 17 0.705 9.479 9.504 152 HZ1 LYS 17 3HZ LYS 17 1.248 10.110 7.027 153 HZ2 LYS 17 1HZ LYS 17 -0.016 10.865 7.868 154 HZ3 LYS 17 2HZ LYS 17 -0.352 9.615 6.774 155 H ARG 18 H ARG 18 4.138 6.214 6.595 156 HA ARG 18 HA ARG 18 5.137 8.193 8.415 157 HB2 ARG 18 1HB ARG 18 5.691 5.278 7.999 158 HB3 ARG 18 2HB ARG 18 6.727 6.224 9.052 159 HG2 ARG 18 1HG ARG 18 4.705 6.853 10.361 160 HG3 ARG 18 2HG ARG 18 3.768 5.757 9.342 161 HD2 ARG 18 1HD ARG 18 5.090 3.875 10.084 162 HD3 ARG 18 2HD ARG 18 6.146 4.941 11.011 163 HE ARG 18 HE ARG 18 3.517 5.337 11.889 164 HH11 ARG 18 1HH1 ARG 18 5.939 2.796 11.906 165 HH12 ARG 18 2HH1 ARG 18 5.378 2.099 13.392 166 HH21 ARG 18 1HH2 ARG 18 2.802 4.441 13.856 167 HH22 ARG 18 2HH2 ARG 18 3.589 3.036 14.511 168 H HIS 19 H HIS 19 6.514 6.362 5.720 169 HA HIS 19 HA HIS 19 9.085 7.620 5.958 170 HB2 HIS 19 1HB HIS 19 7.857 5.841 3.852 171 HB3 HIS 19 2HB HIS 19 9.484 6.494 3.713 172 HD1 HIS 19 HD1 HIS 19 10.963 4.497 4.111 173 HD2 HIS 19 HD2 HIS 19 7.871 4.773 6.876 174 HE1 HIS 19 HE1 HIS 19 11.344 2.649 5.793 175 H GLN 20 H GLN 20 9.766 8.222 3.350 176 HA GLN 20 HA GLN 20 8.608 10.855 3.151 177 HB2 GLN 20 1HB GLN 20 11.089 10.080 2.843 178 HB3 GLN 20 2HB GLN 20 10.576 9.724 1.201 179 HG2 GLN 20 1HG GLN 20 9.724 12.115 1.122 180 HG3 GLN 20 2HG GLN 20 10.644 12.359 2.604 181 HE21 GLN 20 1HE2 GLN 20 11.636 10.232 0.023 182 HE22 GLN 20 2HE2 GLN 20 13.004 11.160 -0.485 183 H ARG 21 H ARG 21 6.860 8.631 2.509 184 HA ARG 21 HA ARG 21 5.266 8.037 1.028 185 HB2 ARG 21 1HB ARG 21 6.187 10.494 -0.478 186 HB3 ARG 21 2HB ARG 21 4.737 9.575 -0.848 187 HG2 ARG 21 1HG ARG 21 3.744 10.164 1.239 188 HG3 ARG 21 2HG ARG 21 5.247 10.906 1.798 189 HD2 ARG 21 1HD ARG 21 3.546 11.827 -0.514 190 HD3 ARG 21 2HD ARG 21 3.664 12.600 1.062 191 HE ARG 21 HE ARG 21 6.153 12.799 0.415 192 HH11 ARG 21 1HH1 ARG 21 3.427 13.098 -1.751 193 HH12 ARG 21 2HH1 ARG 21 4.273 14.096 -2.898 194 HH21 ARG 21 1HH2 ARG 21 7.270 14.148 -1.045 195 HH22 ARG 21 2HH2 ARG 21 6.457 14.728 -2.474 196 H ILE 22 H ILE 22 4.997 7.655 -1.553 197 HA ILE 22 HA ILE 22 7.436 6.726 -2.785 198 HB ILE 22 HB ILE 22 7.180 4.959 -1.174 199 HG12 ILE 22 1HG1 ILE 22 6.127 3.967 -3.828 200 HG13 ILE 22 2HG1 ILE 22 7.823 4.310 -3.486 201 HG21 ILE 22 1HG2 ILE 22 4.829 5.324 -0.642 202 HG22 ILE 22 2HG2 ILE 22 5.155 3.625 -0.972 203 HG23 ILE 22 3HG2 ILE 22 4.364 4.625 -2.190 204 HD11 ILE 22 3HD1 ILE 22 6.134 2.245 -2.101 205 HD12 ILE 22 1HD1 ILE 22 7.836 2.578 -1.785 206 HD13 ILE 22 2HD1 ILE 22 7.342 1.932 -3.350 207 H THR 23 H THR 23 7.140 6.174 -4.982 208 HA THR 23 HA THR 23 4.611 7.123 -6.061 209 HB THR 23 HB THR 23 5.727 7.005 -8.268 210 HG1 THR 23 HG1 THR 23 7.921 6.072 -6.690 211 HG21 THR 23 3HG2 THR 23 5.820 9.058 -6.982 212 HG22 THR 23 1HG2 THR 23 7.339 8.818 -7.843 213 HG23 THR 23 2HG2 THR 23 7.243 8.478 -6.115 214 H GLN 24 H GLN 24 3.750 5.947 -8.042 215 HA GLN 24 HA GLN 24 2.602 3.622 -7.028 216 HB2 GLN 24 1HB GLN 24 1.501 5.097 -8.628 217 HB3 GLN 24 2HB GLN 24 2.628 4.596 -9.883 218 HG2 GLN 24 1HG GLN 24 1.774 2.330 -9.783 219 HG3 GLN 24 2HG GLN 24 0.692 2.774 -8.465 220 HE21 GLN 24 1HE2 GLN 24 1.319 3.019 -11.870 221 HE22 GLN 24 2HE2 GLN 24 -0.245 3.622 -12.312 222 H GLU 25 H GLU 25 5.171 3.914 -9.496 223 HA GLU 25 HA GLU 25 5.140 1.179 -10.202 224 HB2 GLU 25 1HB GLU 25 6.266 2.929 -11.559 225 HB3 GLU 25 2HB GLU 25 7.501 3.064 -10.313 226 HG2 GLU 25 1HG GLU 25 8.163 0.759 -10.688 227 HG3 GLU 25 2HG GLU 25 6.889 0.573 -11.890 228 H GLU 26 H GLU 26 7.188 2.979 -7.929 229 HA GLU 26 HA GLU 26 8.667 0.828 -6.930 230 HB2 GLU 26 1HB GLU 26 7.732 3.203 -5.314 231 HB3 GLU 26 2HB GLU 26 9.158 2.223 -5.031 232 HG2 GLU 26 1HG GLU 26 10.233 3.112 -6.970 233 HG3 GLU 26 2HG GLU 26 8.764 3.961 -7.454 234 H LEU 27 H LEU 27 5.557 2.167 -6.012 235 HA LEU 27 HA LEU 27 5.103 0.674 -3.682 236 HB2 LEU 27 1HB LEU 27 3.898 2.754 -4.691 237 HB3 LEU 27 2HB LEU 27 2.900 1.573 -5.509 238 HG LEU 27 HG LEU 27 1.914 2.501 -3.411 239 HD11 LEU 27 1HD1 LEU 27 1.134 0.362 -4.267 240 HD12 LEU 27 2HD1 LEU 27 1.145 0.376 -2.503 241 HD13 LEU 27 3HD1 LEU 27 2.417 -0.468 -3.386 242 HD21 LEU 27 3HD2 LEU 27 2.767 1.761 -1.271 243 HD22 LEU 27 1HD2 LEU 27 4.010 2.659 -2.143 244 HD23 LEU 27 2HD2 LEU 27 4.082 0.898 -2.068 245 H HIS 28 H HIS 28 3.956 0.136 -7.023 246 HA HIS 28 HA HIS 28 2.493 -2.191 -6.377 247 HB2 HIS 28 1HB HIS 28 2.240 -0.714 -8.456 248 HB3 HIS 28 2HB HIS 28 3.606 -1.610 -9.120 249 HD1 HIS 28 HD1 HIS 28 2.831 -4.469 -8.219 250 HD2 HIS 28 HD2 HIS 28 0.176 -1.739 -9.883 251 HE1 HIS 28 HE1 HIS 28 0.904 -5.819 -9.111 252 H GLN 29 H GLN 29 5.795 -1.717 -7.571 253 HA GLN 29 HA GLN 29 6.362 -4.455 -7.996 254 HB2 GLN 29 1HB GLN 29 7.743 -2.494 -8.803 255 HB3 GLN 29 2HB GLN 29 8.354 -2.343 -7.163 256 HG2 GLN 29 1HG GLN 29 9.933 -3.555 -8.524 257 HG3 GLN 29 2HG GLN 29 9.250 -4.625 -7.299 258 HE21 GLN 29 1HE2 GLN 29 7.870 -6.280 -7.927 259 HE22 GLN 29 2HE2 GLN 29 7.714 -6.789 -9.574 260 H TYR 30 H TYR 30 6.653 -2.345 -5.207 261 HA TYR 30 HA TYR 30 7.852 -4.262 -3.475 262 HB2 TYR 30 1HB TYR 30 7.968 -1.783 -3.202 263 HB3 TYR 30 2HB TYR 30 6.260 -1.779 -2.791 264 HD1 TYR 30 HD1 TYR 30 9.370 -3.569 -1.706 265 HD2 TYR 30 HD2 TYR 30 5.766 -1.621 -0.560 266 HE1 TYR 30 HE1 TYR 30 9.963 -3.877 0.663 267 HE2 TYR 30 HE2 TYR 30 6.346 -1.924 1.807 268 HH TYR 30 HH TYR 30 7.762 -3.470 3.172 269 H ALA 31 H ALA 31 4.588 -3.441 -4.388 270 HA ALA 31 HA ALA 31 3.198 -4.705 -2.273 271 HB1 ALA 31 3HB ALA 31 2.115 -3.092 -3.751 272 HB2 ALA 31 1HB ALA 31 1.255 -4.632 -3.791 273 HB3 ALA 31 2HB ALA 31 2.321 -4.181 -5.123 274 H GLN 32 H GLN 32 4.211 -5.776 -5.471 275 HA GLN 32 HA GLN 32 3.043 -8.350 -5.336 276 HB2 GLN 32 1HB GLN 32 3.840 -7.052 -7.387 277 HB3 GLN 32 2HB GLN 32 5.464 -7.557 -6.955 278 HG2 GLN 32 1HG GLN 32 4.641 -9.023 -8.636 279 HG3 GLN 32 2HG GLN 32 4.710 -9.917 -7.117 280 HE21 GLN 32 1HE2 GLN 32 2.644 -8.437 -9.486 281 HE22 GLN 32 2HE2 GLN 32 1.165 -9.194 -8.970 282 H ARG 33 H ARG 33 6.012 -7.005 -4.143 283 HA ARG 33 HA ARG 33 7.353 -9.501 -3.744 284 HB2 ARG 33 1HB ARG 33 8.547 -7.340 -3.968 285 HB3 ARG 33 2HB ARG 33 7.853 -6.818 -2.439 286 HG2 ARG 33 1HG ARG 33 9.026 -8.605 -1.280 287 HG3 ARG 33 2HG ARG 33 9.697 -9.169 -2.812 288 HD2 ARG 33 1HD ARG 33 10.184 -6.488 -1.520 289 HD3 ARG 33 2HD ARG 33 11.324 -7.829 -1.606 290 HE ARG 33 HE ARG 33 10.349 -6.844 -4.161 291 HH11 ARG 33 1HH1 ARG 33 12.902 -6.749 -1.748 292 HH12 ARG 33 2HH1 ARG 33 14.058 -6.050 -2.835 293 HH21 ARG 33 1HH2 ARG 33 11.896 -5.958 -5.577 294 HH22 ARG 33 2HH2 ARG 33 13.490 -5.593 -4.986 295 H LEU 34 H LEU 34 5.504 -7.287 -1.678 296 HA LEU 34 HA LEU 34 5.827 -8.872 0.672 297 HB2 LEU 34 1HB LEU 34 3.874 -6.672 0.009 298 HB3 LEU 34 2HB LEU 34 4.034 -7.408 1.590 299 HG LEU 34 HG LEU 34 6.143 -5.802 0.154 300 HD11 LEU 34 1HD1 LEU 34 4.315 -4.468 1.058 301 HD12 LEU 34 2HD1 LEU 34 5.807 -4.209 1.961 302 HD13 LEU 34 3HD1 LEU 34 4.536 -5.226 2.634 303 HD21 LEU 34 3HD2 LEU 34 6.228 -7.102 2.875 304 HD22 LEU 34 1HD2 LEU 34 7.456 -6.032 2.198 305 HD23 LEU 34 2HD2 LEU 34 7.153 -7.605 1.459 306 H GLY 35 H GLY 35 3.382 -8.657 -1.842 307 HA2 GLY 35 1HA GLY 35 2.233 -10.799 -2.285 308 HA3 GLY 35 2HA GLY 35 2.012 -10.933 -0.548 309 H LEU 36 H LEU 36 1.577 -8.069 -2.583 310 HA LEU 36 HA LEU 36 -1.154 -7.891 -1.565 311 HB2 LEU 36 1HB LEU 36 0.505 -5.861 -3.052 312 HB3 LEU 36 2HB LEU 36 -1.127 -5.604 -2.461 313 HG LEU 36 HG LEU 36 1.310 -6.113 -0.755 314 HD11 LEU 36 1HD1 LEU 36 -0.401 -3.655 -1.119 315 HD12 LEU 36 2HD1 LEU 36 1.243 -3.870 -1.719 316 HD13 LEU 36 3HD1 LEU 36 0.939 -3.824 0.017 317 HD21 LEU 36 3HD2 LEU 36 -0.199 -5.698 1.123 318 HD22 LEU 36 1HD2 LEU 36 -0.676 -7.127 0.208 319 HD23 LEU 36 2HD2 LEU 36 -1.562 -5.615 0.005 320 H ASN 37 H ASN 37 -2.845 -8.268 -2.745 321 HA ASN 37 HA ASN 37 -2.611 -8.571 -5.627 322 HB2 ASN 37 1HB ASN 37 -5.095 -9.159 -5.416 323 HB3 ASN 37 2HB ASN 37 -3.950 -10.278 -4.697 324 HD21 ASN 37 1HD2 ASN 37 -4.789 -7.216 -3.196 325 HD22 ASN 37 2HD2 ASN 37 -5.682 -7.904 -1.882 326 H GLU 38 H GLU 38 -4.322 -7.447 -6.982 327 HA GLU 38 HA GLU 38 -3.735 -4.719 -6.763 328 HB2 GLU 38 1HB GLU 38 -5.723 -6.196 -8.474 329 HB3 GLU 38 2HB GLU 38 -5.425 -4.469 -8.632 330 HG2 GLU 38 1HG GLU 38 -3.087 -4.901 -9.135 331 HG3 GLU 38 2HG GLU 38 -3.354 -6.630 -8.931 332 H GLU 39 H GLU 39 -6.452 -6.523 -5.547 333 HA GLU 39 HA GLU 39 -8.326 -4.575 -4.978 334 HB2 GLU 39 1HB GLU 39 -8.795 -6.838 -4.380 335 HB3 GLU 39 2HB GLU 39 -7.342 -6.951 -3.397 336 HG2 GLU 39 1HG GLU 39 -9.112 -6.840 -1.873 337 HG3 GLU 39 2HG GLU 39 -8.407 -5.227 -1.873 338 H ALA 40 H ALA 40 -5.718 -5.647 -2.880 339 HA ALA 40 HA ALA 40 -6.136 -3.701 -0.891 340 HB1 ALA 40 3HB ALA 40 -5.058 -5.885 -0.522 341 HB2 ALA 40 1HB ALA 40 -4.101 -4.541 0.094 342 HB3 ALA 40 2HB ALA 40 -3.652 -5.320 -1.423 343 H ILE 41 H ILE 41 -3.974 -3.858 -3.654 344 HA ILE 41 HA ILE 41 -2.265 -1.743 -2.987 345 HB ILE 41 HB ILE 41 -3.116 -2.550 -5.774 346 HG12 ILE 41 1HG1 ILE 41 -0.834 -3.600 -4.079 347 HG13 ILE 41 2HG1 ILE 41 -2.311 -4.482 -4.464 348 HG21 ILE 41 1HG2 ILE 41 -0.619 -1.168 -4.786 349 HG22 ILE 41 2HG2 ILE 41 -1.938 -0.418 -5.688 350 HG23 ILE 41 3HG2 ILE 41 -0.940 -1.658 -6.452 351 HD11 ILE 41 3HD1 ILE 41 -1.711 -4.439 -6.834 352 HD12 ILE 41 1HD1 ILE 41 -0.466 -5.214 -5.853 353 HD13 ILE 41 2HD1 ILE 41 -0.229 -3.566 -6.438 354 H ARG 42 H ARG 42 -5.330 -1.799 -4.736 355 HA ARG 42 HA ARG 42 -5.224 0.985 -5.401 356 HB2 ARG 42 1HB ARG 42 -7.487 -1.009 -5.567 357 HB3 ARG 42 2HB ARG 42 -7.538 0.625 -6.214 358 HG2 ARG 42 1HG ARG 42 -5.685 0.109 -7.688 359 HG3 ARG 42 2HG ARG 42 -5.655 -1.552 -7.086 360 HD2 ARG 42 1HD ARG 42 -6.863 -1.502 -9.169 361 HD3 ARG 42 2HD ARG 42 -8.011 -1.798 -7.859 362 HE ARG 42 HE ARG 42 -7.837 0.969 -8.323 363 HH11 ARG 42 1HH1 ARG 42 -9.099 -1.931 -9.843 364 HH12 ARG 42 2HH1 ARG 42 -10.290 -1.072 -10.769 365 HH21 ARG 42 1HH2 ARG 42 -9.433 2.080 -9.438 366 HH22 ARG 42 2HH2 ARG 42 -10.490 1.233 -10.530 367 H GLN 43 H GLN 43 -6.666 -0.929 -2.839 368 HA GLN 43 HA GLN 43 -8.484 0.985 -1.864 369 HB2 GLN 43 1HB GLN 43 -7.003 -1.169 -0.344 370 HB3 GLN 43 2HB GLN 43 -8.360 -0.249 0.287 371 HG2 GLN 43 1HG GLN 43 -9.745 -1.158 -1.574 372 HG3 GLN 43 2HG GLN 43 -8.382 -2.196 -2.002 373 HE21 GLN 43 1HE2 GLN 43 -10.903 -1.568 0.279 374 HE22 GLN 43 2HE2 GLN 43 -10.755 -3.050 1.164 375 H PHE 44 H PHE 44 -5.041 0.649 -1.466 376 HA PHE 44 HA PHE 44 -5.024 2.582 0.717 377 HB2 PHE 44 1HB PHE 44 -3.508 0.362 0.267 378 HB3 PHE 44 2HB PHE 44 -2.450 1.631 -0.342 379 HD1 PHE 44 HD1 PHE 44 -4.533 0.752 2.594 380 HD2 PHE 44 HD2 PHE 44 -1.093 2.781 1.139 381 HE1 PHE 44 HE1 PHE 44 -3.860 1.223 4.900 382 HE2 PHE 44 HE2 PHE 44 -0.404 3.271 3.445 383 HZ PHE 44 HZ PHE 44 -1.794 2.490 5.340 384 H PHE 45 H PHE 45 -3.605 2.191 -2.525 385 HA PHE 45 HA PHE 45 -2.260 4.677 -2.378 386 HB2 PHE 45 1HB PHE 45 -1.763 2.489 -3.732 387 HB3 PHE 45 2HB PHE 45 -2.773 3.255 -4.952 388 HD1 PHE 45 HD1 PHE 45 0.222 3.707 -2.872 389 HD2 PHE 45 HD2 PHE 45 -1.892 4.923 -6.350 390 HE1 PHE 45 HE1 PHE 45 2.183 5.015 -3.594 391 HE2 PHE 45 HE2 PHE 45 0.060 6.233 -7.089 392 HZ PHE 45 HZ PHE 45 2.102 6.281 -5.705 393 H GLU 46 H GLU 46 -5.032 3.587 -4.371 394 HA GLU 46 HA GLU 46 -5.253 6.294 -5.412 395 HB2 GLU 46 1HB GLU 46 -6.300 5.394 -7.221 396 HB3 GLU 46 2HB GLU 46 -5.451 3.957 -6.663 397 HG2 GLU 46 1HG GLU 46 -7.477 3.223 -5.496 398 HG3 GLU 46 2HG GLU 46 -8.324 4.641 -6.125 399 H GLU 47 H GLU 47 -6.939 4.150 -3.262 400 HA GLU 47 HA GLU 47 -9.371 5.640 -3.264 401 HB2 GLU 47 1HB GLU 47 -9.232 3.224 -2.729 402 HB3 GLU 47 2HB GLU 47 -8.423 3.662 -1.240 403 HG2 GLU 47 1HG GLU 47 -10.409 4.959 -0.566 404 HG3 GLU 47 2HG GLU 47 -11.228 4.391 -2.019 405 H PHE 48 H PHE 48 -6.358 6.112 -1.813 406 HA PHE 48 HA PHE 48 -7.192 7.479 0.541 407 HB2 PHE 48 1HB PHE 48 -4.742 6.693 -0.631 408 HB3 PHE 48 2HB PHE 48 -4.677 8.439 -0.471 409 HD1 PHE 48 HD1 PHE 48 -4.852 9.484 1.767 410 HD2 PHE 48 HD2 PHE 48 -4.656 5.269 1.246 411 HE1 PHE 48 HE1 PHE 48 -4.266 9.222 4.142 412 HE2 PHE 48 HE2 PHE 48 -4.069 4.995 3.613 413 HZ PHE 48 HZ PHE 48 -3.875 6.973 5.070 414 H GLU 49 H GLU 49 -7.172 9.742 0.907 415 HA GLU 49 HA GLU 49 -8.339 11.313 -1.127 416 HB2 GLU 49 1HB GLU 49 -8.096 13.191 0.435 417 HB3 GLU 49 2HB GLU 49 -8.730 11.763 1.239 418 HG2 GLU 49 1HG GLU 49 -6.557 11.290 2.190 419 HG3 GLU 49 2HG GLU 49 -5.855 12.661 1.329 420 H GLN 50 H GLN 50 -5.182 10.382 -0.779 421 HA GLN 50 HA GLN 50 -3.886 12.783 -1.694 422 HB2 GLN 50 1HB GLN 50 -2.839 9.947 -1.569 423 HB3 GLN 50 2HB GLN 50 -1.873 11.399 -1.788 424 HG2 GLN 50 1HG GLN 50 -2.525 12.180 0.423 425 HG3 GLN 50 2HG GLN 50 -3.509 10.739 0.657 426 HE21 GLN 50 1HE2 GLN 50 -2.393 8.678 0.880 427 HE22 GLN 50 2HE2 GLN 50 -0.742 8.643 1.372 428 H ARG 51 H ARG 51 -5.807 10.512 -3.159 429 HA ARG 51 HA ARG 51 -4.550 10.114 -5.651 430 HB2 ARG 51 1HB ARG 51 -6.674 9.353 -6.443 431 HB3 ARG 51 2HB ARG 51 -6.469 8.787 -4.787 432 HG2 ARG 51 1HG ARG 51 -7.915 10.473 -3.949 433 HG3 ARG 51 2HG ARG 51 -7.948 11.271 -5.520 434 HD2 ARG 51 1HD ARG 51 -9.133 9.369 -6.481 435 HD3 ARG 51 2HD ARG 51 -9.047 8.522 -4.934 436 HE ARG 51 HE ARG 51 -10.314 11.084 -4.726 437 HH11 ARG 51 1HH1 ARG 51 -10.866 7.718 -5.573 438 HH12 ARG 51 2HH1 ARG 51 -12.565 7.784 -5.220 439 HH21 ARG 51 1HH2 ARG 51 -12.540 11.149 -4.244 440 HH22 ARG 51 2HH2 ARG 51 -13.507 9.721 -4.429 441 H LYS 52 H LYS 52 -5.357 10.928 -7.725 442 HA LYS 52 HA LYS 52 -5.746 12.567 -9.231 443 HB2 LYS 52 1HB LYS 52 -7.429 13.722 -7.001 444 HB3 LYS 52 2HB LYS 52 -7.430 14.302 -8.660 445 HG2 LYS 52 1HG LYS 52 -8.379 12.273 -9.457 446 HG3 LYS 52 2HG LYS 52 -8.147 11.484 -7.894 447 HD2 LYS 52 1HD LYS 52 -10.484 12.172 -8.256 448 HD3 LYS 52 2HD LYS 52 -9.758 12.978 -6.865 449 HE2 LYS 52 1HE LYS 52 -11.021 14.595 -8.099 450 HE3 LYS 52 2HE LYS 52 -9.309 14.947 -8.319 451 HZ1 LYS 52 3HZ LYS 52 -9.397 13.859 -10.478 452 HZ2 LYS 52 1HZ LYS 52 -10.527 15.122 -10.395 453 HZ3 LYS 52 2HZ LYS 52 -11.043 13.511 -10.260 Start of MODEL 40 1 H1 MET 1 1H MET 1 -13.324 -9.432 2.993 2 H2 MET 1 2H MET 1 -12.173 -10.558 2.470 3 H3 MET 1 3H MET 1 -11.952 -8.913 2.151 4 HA MET 1 HA MET 1 -11.771 -8.450 4.510 5 HB2 MET 1 1HB MET 1 -11.965 -11.462 4.718 6 HB3 MET 1 2HB MET 1 -11.376 -10.433 6.014 7 HG2 MET 1 1HG MET 1 -13.656 -10.978 6.446 8 HG3 MET 1 2HG MET 1 -13.554 -9.269 6.034 9 HE1 MET 1 3HE MET 1 -16.289 -10.949 6.088 10 HE2 MET 1 1HE MET 1 -17.065 -10.319 4.632 11 HE3 MET 1 2HE MET 1 -16.190 -9.229 5.709 12 H LYS 2 H LYS 2 -10.300 -11.454 3.225 13 HA LYS 2 HA LYS 2 -7.658 -10.435 3.794 14 HB2 LYS 2 1HB LYS 2 -8.656 -12.944 2.471 15 HB3 LYS 2 2HB LYS 2 -6.957 -12.506 2.420 16 HG2 LYS 2 1HG LYS 2 -7.182 -14.015 4.195 17 HG3 LYS 2 2HG LYS 2 -7.038 -12.426 4.944 18 HD2 LYS 2 1HD LYS 2 -9.387 -12.339 5.365 19 HD3 LYS 2 2HD LYS 2 -9.663 -13.796 4.406 20 HE2 LYS 2 1HE LYS 2 -8.250 -15.052 6.020 21 HE3 LYS 2 2HE LYS 2 -8.167 -13.597 7.016 22 HZ1 LYS 2 3HZ LYS 2 -10.522 -13.665 7.328 23 HZ2 LYS 2 1HZ LYS 2 -9.895 -15.192 7.719 24 HZ3 LYS 2 2HZ LYS 2 -10.690 -14.956 6.239 25 H GLN 3 H GLN 3 -7.660 -8.521 2.590 26 HA GLN 3 HA GLN 3 -7.734 -8.847 -0.336 27 HB2 GLN 3 1HB GLN 3 -7.568 -6.234 1.166 28 HB3 GLN 3 2HB GLN 3 -8.019 -6.481 -0.513 29 HG2 GLN 3 1HG GLN 3 -9.625 -7.166 1.936 30 HG3 GLN 3 2HG GLN 3 -9.976 -5.937 0.727 31 HE21 GLN 3 1HE2 GLN 3 -10.826 -6.554 -1.254 32 HE22 GLN 3 2HE2 GLN 3 -11.510 -8.124 -1.512 33 H TRP 4 H TRP 4 -5.906 -7.110 2.135 34 HA TRP 4 HA TRP 4 -3.420 -7.696 0.699 35 HB2 TRP 4 1HB TRP 4 -2.636 -6.196 2.821 36 HB3 TRP 4 2HB TRP 4 -3.077 -5.518 1.263 37 HD1 TRP 4 HD1 TRP 4 -4.638 -3.539 1.488 38 HE1 TRP 4 HE1 TRP 4 -6.483 -2.777 3.121 39 HE3 TRP 4 HE3 TRP 4 -4.552 -7.511 4.708 40 HZ2 TRP 4 HZ2 TRP 4 -7.729 -3.745 5.454 41 HZ3 TRP 4 HZ3 TRP 4 -6.108 -7.517 6.615 42 HH2 TRP 4 HH2 TRP 4 -7.664 -5.670 6.978 43 H SER 5 H SER 5 -1.574 -8.076 2.415 44 HA SER 5 HA SER 5 -2.446 -10.166 4.228 45 HB2 SER 5 1HB SER 5 0.334 -9.032 3.817 46 HB3 SER 5 2HB SER 5 -0.078 -10.523 4.662 47 HG SER 5 HG SER 5 -1.084 -10.402 2.106 48 H GLU 6 H GLU 6 -2.950 -9.784 6.273 49 HA GLU 6 HA GLU 6 -3.597 -7.485 7.428 50 HB2 GLU 6 1HB GLU 6 -3.874 -9.775 8.387 51 HB3 GLU 6 2HB GLU 6 -2.218 -9.681 8.973 52 HG2 GLU 6 1HG GLU 6 -3.767 -9.177 10.746 53 HG3 GLU 6 2HG GLU 6 -2.823 -7.745 10.337 54 H ASN 7 H ASN 7 -0.303 -8.826 7.788 55 HA ASN 7 HA ASN 7 0.560 -6.614 9.401 56 HB2 ASN 7 1HB ASN 7 2.046 -8.888 8.108 57 HB3 ASN 7 2HB ASN 7 2.848 -7.655 9.074 58 HD21 ASN 7 1HD2 ASN 7 2.445 -7.552 11.284 59 HD22 ASN 7 2HD2 ASN 7 1.747 -8.874 12.152 60 H VAL 8 H VAL 8 0.528 -7.260 6.010 61 HA VAL 8 HA VAL 8 2.665 -5.539 5.289 62 HB VAL 8 HB VAL 8 0.297 -6.432 3.628 63 HG11 VAL 8 1HG1 VAL 8 1.920 -5.847 1.740 64 HG12 VAL 8 2HG1 VAL 8 2.784 -4.890 2.936 65 HG13 VAL 8 3HG1 VAL 8 1.103 -4.515 2.547 66 HG21 VAL 8 3HG2 VAL 8 1.686 -8.286 4.362 67 HG22 VAL 8 1HG2 VAL 8 3.136 -7.455 3.801 68 HG23 VAL 8 2HG2 VAL 8 1.924 -7.997 2.638 69 H GLU 9 H GLU 9 -0.850 -5.114 5.407 70 HA GLU 9 HA GLU 9 -1.144 -2.633 4.287 71 HB2 GLU 9 1HB GLU 9 -3.015 -4.023 5.068 72 HB3 GLU 9 2HB GLU 9 -2.570 -3.683 6.737 73 HG2 GLU 9 1HG GLU 9 -2.838 -1.188 5.957 74 HG3 GLU 9 2HG GLU 9 -3.853 -1.919 4.713 75 H GLU 10 H GLU 10 -0.363 -3.362 7.659 76 HA GLU 10 HA GLU 10 -0.352 -0.735 8.612 77 HB2 GLU 10 1HB GLU 10 -0.453 -2.441 10.220 78 HB3 GLU 10 2HB GLU 10 0.956 -3.271 9.566 79 HG2 GLU 10 1HG GLU 10 2.417 -1.942 10.664 80 HG3 GLU 10 2HG GLU 10 1.375 -0.521 10.560 81 H LYS 11 H LYS 11 2.457 -2.761 7.744 82 HA LYS 11 HA LYS 11 4.325 -0.663 8.124 83 HB2 LYS 11 1HB LYS 11 4.892 -3.066 8.270 84 HB3 LYS 11 2HB LYS 11 4.636 -3.222 6.538 85 HG2 LYS 11 1HG LYS 11 6.482 -1.719 6.096 86 HG3 LYS 11 2HG LYS 11 6.709 -1.455 7.825 87 HD2 LYS 11 1HD LYS 11 8.348 -3.046 7.042 88 HD3 LYS 11 2HD LYS 11 7.191 -3.869 8.090 89 HE2 LYS 11 1HE LYS 11 6.004 -4.694 6.106 90 HE3 LYS 11 2HE LYS 11 7.185 -3.888 5.074 91 HZ1 LYS 11 3HZ LYS 11 7.824 -6.018 7.045 92 HZ2 LYS 11 1HZ LYS 11 8.915 -5.291 5.967 93 HZ3 LYS 11 2HZ LYS 11 7.656 -6.265 5.378 94 H LEU 12 H LEU 12 2.498 -1.797 5.401 95 HA LEU 12 HA LEU 12 3.879 -0.570 3.303 96 HB2 LEU 12 1HB LEU 12 1.929 -2.282 3.387 97 HB3 LEU 12 2HB LEU 12 0.902 -0.877 3.369 98 HG LEU 12 HG LEU 12 1.232 -2.005 1.162 99 HD11 LEU 12 1HD1 LEU 12 1.620 0.098 -0.094 100 HD12 LEU 12 2HD1 LEU 12 2.005 0.869 1.447 101 HD13 LEU 12 3HD1 LEU 12 0.398 0.200 1.172 102 HD21 LEU 12 3HD2 LEU 12 3.935 -0.722 1.053 103 HD22 LEU 12 1HD2 LEU 12 3.221 -1.906 -0.036 104 HD23 LEU 12 2HD2 LEU 12 3.725 -2.391 1.580 105 H LYS 13 H LYS 13 1.145 0.578 5.248 106 HA LYS 13 HA LYS 13 0.824 3.112 4.162 107 HB2 LYS 13 1HB LYS 13 -0.737 2.255 5.792 108 HB3 LYS 13 2HB LYS 13 0.524 2.159 7.014 109 HG2 LYS 13 1HG LYS 13 0.736 4.664 6.818 110 HG3 LYS 13 2HG LYS 13 -0.728 4.622 5.843 111 HD2 LYS 13 1HD LYS 13 -1.335 5.152 8.101 112 HD3 LYS 13 2HD LYS 13 -1.911 3.529 7.730 113 HE2 LYS 13 1HE LYS 13 0.709 4.017 9.161 114 HE3 LYS 13 2HE LYS 13 -0.828 3.902 10.019 115 HZ1 LYS 13 3HZ LYS 13 0.110 1.769 10.072 116 HZ2 LYS 13 1HZ LYS 13 0.514 1.796 8.425 117 HZ3 LYS 13 2HZ LYS 13 -1.109 1.684 8.895 118 H GLU 14 H GLU 14 3.026 2.011 6.681 119 HA GLU 14 HA GLU 14 3.938 4.665 7.252 120 HB2 GLU 14 1HB GLU 14 4.988 1.993 8.194 121 HB3 GLU 14 2HB GLU 14 5.419 3.564 8.865 122 HG2 GLU 14 1HG GLU 14 3.098 3.933 9.518 123 HG3 GLU 14 2HG GLU 14 2.655 2.369 8.840 124 H PHE 15 H PHE 15 4.880 2.165 5.093 125 HA PHE 15 HA PHE 15 7.579 3.093 4.759 126 HB2 PHE 15 1HB PHE 15 6.840 0.727 4.440 127 HB3 PHE 15 2HB PHE 15 5.941 1.244 3.022 128 HD1 PHE 15 HD1 PHE 15 9.374 1.295 4.453 129 HD2 PHE 15 HD2 PHE 15 6.964 1.124 0.946 130 HE1 PHE 15 HE1 PHE 15 11.390 0.934 3.090 131 HE2 PHE 15 HE2 PHE 15 8.977 0.763 -0.418 132 HZ PHE 15 HZ PHE 15 11.191 0.669 0.648 133 H VAL 16 H VAL 16 4.484 3.853 3.451 134 HA VAL 16 HA VAL 16 5.671 5.348 1.240 135 HB VAL 16 HB VAL 16 2.763 4.924 1.953 136 HG11 VAL 16 1HG1 VAL 16 2.262 5.844 -0.247 137 HG12 VAL 16 2HG1 VAL 16 3.978 6.136 -0.531 138 HG13 VAL 16 3HG1 VAL 16 3.130 7.026 0.734 139 HG21 VAL 16 3HG2 VAL 16 4.470 3.685 -0.197 140 HG22 VAL 16 1HG2 VAL 16 2.741 3.425 0.020 141 HG23 VAL 16 2HG2 VAL 16 3.880 2.878 1.253 142 H LYS 17 H LYS 17 3.971 5.879 4.282 143 HA LYS 17 HA LYS 17 3.797 8.727 3.667 144 HB2 LYS 17 1HB LYS 17 1.807 7.353 4.474 145 HB3 LYS 17 2HB LYS 17 2.574 7.375 6.055 146 HG2 LYS 17 1HG LYS 17 0.998 9.126 6.061 147 HG3 LYS 17 2HG LYS 17 2.578 9.894 5.876 148 HD2 LYS 17 1HD LYS 17 2.200 9.990 3.430 149 HD3 LYS 17 2HD LYS 17 0.589 9.319 3.680 150 HE2 LYS 17 1HE LYS 17 1.642 11.947 4.708 151 HE3 LYS 17 2HE LYS 17 0.451 11.711 3.431 152 HZ1 LYS 17 3HZ LYS 17 -0.859 10.487 5.275 153 HZ2 LYS 17 1HZ LYS 17 -0.840 12.185 5.257 154 HZ3 LYS 17 2HZ LYS 17 0.154 11.349 6.334 155 H ARG 18 H ARG 18 5.212 6.534 6.047 156 HA ARG 18 HA ARG 18 6.169 8.801 7.594 157 HB2 ARG 18 1HB ARG 18 6.458 5.832 8.066 158 HB3 ARG 18 2HB ARG 18 7.103 7.071 9.133 159 HG2 ARG 18 1HG ARG 18 4.792 7.920 9.456 160 HG3 ARG 18 2HG ARG 18 4.203 6.555 8.507 161 HD2 ARG 18 1HD ARG 18 4.020 6.068 10.877 162 HD3 ARG 18 2HD ARG 18 5.227 5.016 10.133 163 HE ARG 18 HE ARG 18 6.415 7.376 11.198 164 HH11 ARG 18 1HH1 ARG 18 5.205 4.202 12.145 165 HH12 ARG 18 2HH1 ARG 18 6.194 4.149 13.578 166 HH21 ARG 18 1HH2 ARG 18 7.691 7.260 13.062 167 HH22 ARG 18 2HH2 ARG 18 7.587 5.864 14.096 168 H HIS 19 H HIS 19 7.315 6.517 5.268 169 HA HIS 19 HA HIS 19 10.084 7.340 5.597 170 HB2 HIS 19 1HB HIS 19 8.716 5.480 3.648 171 HB3 HIS 19 2HB HIS 19 10.423 5.893 3.530 172 HD1 HIS 19 HD1 HIS 19 8.087 4.420 6.190 173 HD2 HIS 19 HD2 HIS 19 11.998 4.162 4.807 174 HE1 HIS 19 HE1 HIS 19 9.195 2.596 7.538 175 H GLN 20 H GLN 20 8.178 9.328 5.096 176 HA GLN 20 HA GLN 20 7.771 11.174 3.919 177 HB2 GLN 20 1HB GLN 20 10.216 10.306 2.417 178 HB3 GLN 20 2HB GLN 20 9.371 11.810 2.070 179 HG2 GLN 20 1HG GLN 20 9.730 12.434 4.471 180 HG3 GLN 20 2HG GLN 20 10.753 11.007 4.618 181 HE21 GLN 20 1HE2 GLN 20 10.552 13.054 1.778 182 HE22 GLN 20 2HE2 GLN 20 12.168 13.674 1.878 183 H ARG 21 H ARG 21 8.659 8.668 1.572 184 HA ARG 21 HA ARG 21 6.264 8.099 0.463 185 HB2 ARG 21 1HB ARG 21 6.009 10.536 0.006 186 HB3 ARG 21 2HB ARG 21 7.437 10.474 -1.014 187 HG2 ARG 21 1HG ARG 21 6.321 9.027 -2.578 188 HG3 ARG 21 2HG ARG 21 4.916 8.909 -1.518 189 HD2 ARG 21 1HD ARG 21 5.928 11.442 -2.801 190 HD3 ARG 21 2HD ARG 21 4.558 10.489 -3.367 191 HE ARG 21 HE ARG 21 4.541 11.595 -0.642 192 HH11 ARG 21 1HH1 ARG 21 3.218 11.501 -3.882 193 HH12 ARG 21 2HH1 ARG 21 1.769 12.358 -3.455 194 HH21 ARG 21 1HH2 ARG 21 2.668 12.720 -0.068 195 HH22 ARG 21 2HH2 ARG 21 1.447 13.057 -1.263 196 H ILE 22 H ILE 22 6.408 6.910 -1.498 197 HA ILE 22 HA ILE 22 9.054 6.636 -2.720 198 HB ILE 22 HB ILE 22 8.880 4.803 -1.091 199 HG12 ILE 22 1HG1 ILE 22 8.538 3.764 -3.913 200 HG13 ILE 22 2HG1 ILE 22 10.032 4.448 -3.276 201 HG21 ILE 22 1HG2 ILE 22 6.355 4.082 -2.575 202 HG22 ILE 22 2HG2 ILE 22 6.511 4.536 -0.878 203 HG23 ILE 22 3HG2 ILE 22 7.182 3.010 -1.446 204 HD11 ILE 22 3HD1 ILE 22 10.101 2.031 -3.273 205 HD12 ILE 22 1HD1 ILE 22 8.645 1.975 -2.281 206 HD13 ILE 22 2HD1 ILE 22 10.133 2.655 -1.624 207 H THR 23 H THR 23 8.963 5.943 -4.933 208 HA THR 23 HA THR 23 6.799 6.956 -6.388 209 HB THR 23 HB THR 23 7.831 5.875 -8.364 210 HG1 THR 23 HG1 THR 23 10.057 4.991 -6.996 211 HG21 THR 23 3HG2 THR 23 9.979 7.065 -8.264 212 HG22 THR 23 1HG2 THR 23 9.789 7.251 -6.520 213 HG23 THR 23 2HG2 THR 23 8.663 8.045 -7.620 214 H GLN 24 H GLN 24 5.181 5.970 -7.604 215 HA GLN 24 HA GLN 24 3.809 3.864 -6.389 216 HB2 GLN 24 1HB GLN 24 2.676 5.518 -7.740 217 HB3 GLN 24 2HB GLN 24 3.552 5.004 -9.174 218 HG2 GLN 24 1HG GLN 24 2.452 2.780 -8.964 219 HG3 GLN 24 2HG GLN 24 1.477 3.445 -7.655 220 HE21 GLN 24 1HE2 GLN 24 -0.434 3.103 -8.807 221 HE22 GLN 24 2HE2 GLN 24 -0.879 4.087 -10.160 222 H GLU 25 H GLU 25 5.999 3.849 -9.174 223 HA GLU 25 HA GLU 25 5.441 1.222 -10.005 224 HB2 GLU 25 1HB GLU 25 6.612 2.821 -11.434 225 HB3 GLU 25 2HB GLU 25 7.984 2.818 -10.333 226 HG2 GLU 25 1HG GLU 25 8.610 0.657 -10.916 227 HG3 GLU 25 2HG GLU 25 7.036 0.290 -11.618 228 H GLU 26 H GLU 26 8.051 2.457 -7.914 229 HA GLU 26 HA GLU 26 9.101 -0.091 -7.289 230 HB2 GLU 26 1HB GLU 26 9.238 2.491 -5.726 231 HB3 GLU 26 2HB GLU 26 10.202 1.062 -5.391 232 HG2 GLU 26 1HG GLU 26 11.212 1.257 -7.626 233 HG3 GLU 26 2HG GLU 26 10.284 2.732 -7.892 234 H LEU 27 H LEU 27 6.591 1.907 -5.881 235 HA LEU 27 HA LEU 27 6.133 0.453 -3.533 236 HB2 LEU 27 1HB LEU 27 5.196 2.724 -4.195 237 HB3 LEU 27 2HB LEU 27 4.029 1.861 -5.172 238 HG LEU 27 HG LEU 27 3.225 2.658 -2.907 239 HD11 LEU 27 1HD1 LEU 27 2.030 0.941 -4.176 240 HD12 LEU 27 2HD1 LEU 27 1.941 0.651 -2.438 241 HD13 LEU 27 3HD1 LEU 27 3.037 -0.303 -3.439 242 HD21 LEU 27 3HD2 LEU 27 3.816 1.263 -0.979 243 HD22 LEU 27 1HD2 LEU 27 5.216 2.122 -1.623 244 HD23 LEU 27 2HD2 LEU 27 4.996 0.406 -1.971 245 H HIS 28 H HIS 28 4.731 0.136 -6.786 246 HA HIS 28 HA HIS 28 2.934 -1.933 -6.107 247 HB2 HIS 28 1HB HIS 28 3.024 -0.413 -8.226 248 HB3 HIS 28 2HB HIS 28 4.089 -1.660 -8.869 249 HD1 HIS 28 HD1 HIS 28 2.739 -4.224 -8.089 250 HD2 HIS 28 HD2 HIS 28 0.616 -0.862 -9.290 251 HE1 HIS 28 HE1 HIS 28 0.463 -5.046 -8.794 252 H GLN 29 H GLN 29 6.269 -1.935 -7.207 253 HA GLN 29 HA GLN 29 6.539 -4.732 -7.530 254 HB2 GLN 29 1HB GLN 29 8.526 -2.539 -6.952 255 HB3 GLN 29 2HB GLN 29 9.012 -4.222 -7.122 256 HG2 GLN 29 1HG GLN 29 7.495 -2.706 -9.226 257 HG3 GLN 29 2HG GLN 29 9.254 -2.832 -9.180 258 HE21 GLN 29 1HE2 GLN 29 6.258 -4.597 -9.603 259 HE22 GLN 29 2HE2 GLN 29 6.971 -5.977 -10.372 260 H TYR 30 H TYR 30 7.183 -2.570 -4.807 261 HA TYR 30 HA TYR 30 8.016 -4.587 -3.007 262 HB2 TYR 30 1HB TYR 30 8.445 -2.126 -2.767 263 HB3 TYR 30 2HB TYR 30 6.748 -1.923 -2.348 264 HD1 TYR 30 HD1 TYR 30 9.524 -4.208 -1.294 265 HD2 TYR 30 HD2 TYR 30 6.385 -1.592 -0.105 266 HE1 TYR 30 HE1 TYR 30 10.075 -4.630 1.067 267 HE2 TYR 30 HE2 TYR 30 6.925 -2.009 2.256 268 HH TYR 30 HH TYR 30 9.785 -3.597 3.249 269 H ALA 31 H ALA 31 4.902 -3.356 -3.982 270 HA ALA 31 HA ALA 31 3.307 -4.382 -1.914 271 HB1 ALA 31 3HB ALA 31 2.605 -4.003 -4.830 272 HB2 ALA 31 1HB ALA 31 2.462 -2.783 -3.563 273 HB3 ALA 31 2HB ALA 31 1.452 -4.228 -3.515 274 H GLN 32 H GLN 32 4.046 -5.755 -5.106 275 HA GLN 32 HA GLN 32 2.778 -8.237 -4.611 276 HB2 GLN 32 1HB GLN 32 4.911 -7.486 -6.612 277 HB3 GLN 32 2HB GLN 32 4.056 -9.020 -6.604 278 HG2 GLN 32 1HG GLN 32 1.945 -7.854 -6.968 279 HG3 GLN 32 2HG GLN 32 2.791 -6.310 -6.969 280 HE21 GLN 32 1HE2 GLN 32 4.116 -9.194 -8.421 281 HE22 GLN 32 2HE2 GLN 32 3.967 -8.665 -10.066 282 H ARG 33 H ARG 33 5.980 -7.008 -4.028 283 HA ARG 33 HA ARG 33 7.296 -9.414 -3.435 284 HB2 ARG 33 1HB ARG 33 8.475 -7.305 -3.762 285 HB3 ARG 33 2HB ARG 33 7.738 -6.646 -2.311 286 HG2 ARG 33 1HG ARG 33 8.964 -8.163 -0.919 287 HG3 ARG 33 2HG ARG 33 9.573 -9.032 -2.330 288 HD2 ARG 33 1HD ARG 33 10.165 -6.161 -1.616 289 HD3 ARG 33 2HD ARG 33 11.272 -7.525 -1.442 290 HE ARG 33 HE ARG 33 10.467 -7.487 -4.092 291 HH11 ARG 33 1HH1 ARG 33 12.225 -5.373 -1.924 292 HH12 ARG 33 2HH1 ARG 33 13.184 -4.673 -3.194 293 HH21 ARG 33 1HH2 ARG 33 11.699 -6.566 -5.748 294 HH22 ARG 33 2HH2 ARG 33 12.899 -5.364 -5.368 295 H LEU 34 H LEU 34 5.368 -7.264 -1.340 296 HA LEU 34 HA LEU 34 5.896 -8.937 0.961 297 HB2 LEU 34 1HB LEU 34 4.062 -6.577 0.614 298 HB3 LEU 34 2HB LEU 34 4.326 -7.416 2.128 299 HG LEU 34 HG LEU 34 6.303 -5.757 0.579 300 HD11 LEU 34 1HD1 LEU 34 4.697 -4.587 2.025 301 HD12 LEU 34 2HD1 LEU 34 6.359 -4.422 2.584 302 HD13 LEU 34 3HD1 LEU 34 5.262 -5.538 3.396 303 HD21 LEU 34 3HD2 LEU 34 6.819 -7.448 3.023 304 HD22 LEU 34 1HD2 LEU 34 7.954 -6.330 2.271 305 HD23 LEU 34 2HD2 LEU 34 7.432 -7.772 1.399 306 H GLY 35 H GLY 35 3.478 -8.708 -1.490 307 HA2 GLY 35 1HA GLY 35 2.165 -10.806 -1.710 308 HA3 GLY 35 2HA GLY 35 1.864 -10.682 0.013 309 H LEU 36 H LEU 36 1.782 -7.980 -2.247 310 HA LEU 36 HA LEU 36 -1.063 -7.699 -1.611 311 HB2 LEU 36 1HB LEU 36 0.802 -5.661 -2.821 312 HB3 LEU 36 2HB LEU 36 -0.877 -5.401 -2.383 313 HG LEU 36 HG LEU 36 1.394 -5.955 -0.480 314 HD11 LEU 36 1HD1 LEU 36 0.921 -3.684 0.319 315 HD12 LEU 36 2HD1 LEU 36 -0.292 -3.498 -0.948 316 HD13 LEU 36 3HD1 LEU 36 1.407 -3.696 -1.379 317 HD21 LEU 36 3HD2 LEU 36 -0.653 -7.013 0.300 318 HD22 LEU 36 1HD2 LEU 36 -1.539 -5.507 0.064 319 HD23 LEU 36 2HD2 LEU 36 -0.272 -5.603 1.287 320 H ASN 37 H ASN 37 -2.533 -8.021 -3.036 321 HA ASN 37 HA ASN 37 -1.835 -8.177 -5.866 322 HB2 ASN 37 1HB ASN 37 -4.277 -9.031 -6.021 323 HB3 ASN 37 2HB ASN 37 -3.064 -10.101 -5.334 324 HD21 ASN 37 1HD2 ASN 37 -4.392 -7.368 -3.585 325 HD22 ASN 37 2HD2 ASN 37 -5.274 -8.310 -2.423 326 H GLU 38 H GLU 38 -3.405 -7.134 -7.387 327 HA GLU 38 HA GLU 38 -3.340 -4.392 -6.843 328 HB2 GLU 38 1HB GLU 38 -4.897 -5.858 -8.975 329 HB3 GLU 38 2HB GLU 38 -4.611 -4.122 -8.950 330 HG2 GLU 38 1HG GLU 38 -2.142 -4.659 -8.933 331 HG3 GLU 38 2HG GLU 38 -2.597 -6.326 -9.278 332 H GLU 39 H GLU 39 -5.738 -6.679 -5.992 333 HA GLU 39 HA GLU 39 -8.040 -5.142 -5.731 334 HB2 GLU 39 1HB GLU 39 -8.064 -7.520 -5.345 335 HB3 GLU 39 2HB GLU 39 -6.903 -7.368 -4.034 336 HG2 GLU 39 1HG GLU 39 -8.982 -7.728 -3.014 337 HG3 GLU 39 2HG GLU 39 -8.644 -6.009 -2.815 338 H ALA 40 H ALA 40 -5.513 -5.785 -3.333 339 HA ALA 40 HA ALA 40 -6.509 -3.866 -1.465 340 HB1 ALA 40 3HB ALA 40 -4.504 -4.418 -0.176 341 HB2 ALA 40 1HB ALA 40 -3.878 -5.336 -1.542 342 HB3 ALA 40 2HB ALA 40 -5.345 -5.871 -0.719 343 H ILE 41 H ILE 41 -4.178 -3.875 -4.033 344 HA ILE 41 HA ILE 41 -2.727 -1.584 -3.234 345 HB ILE 41 HB ILE 41 -3.109 -2.721 -6.007 346 HG12 ILE 41 1HG1 ILE 41 -0.916 -3.151 -3.963 347 HG13 ILE 41 2HG1 ILE 41 -2.178 -4.312 -4.362 348 HG21 ILE 41 1HG2 ILE 41 -1.048 -1.537 -6.577 349 HG22 ILE 41 2HG2 ILE 41 -0.997 -0.838 -4.959 350 HG23 ILE 41 3HG2 ILE 41 -2.303 -0.409 -6.063 351 HD11 ILE 41 3HD1 ILE 41 -1.304 -4.505 -6.615 352 HD12 ILE 41 1HD1 ILE 41 -0.060 -4.865 -5.420 353 HD13 ILE 41 2HD1 ILE 41 -0.063 -3.309 -6.251 354 H ARG 42 H ARG 42 -5.426 -2.018 -5.537 355 HA ARG 42 HA ARG 42 -5.921 0.711 -5.999 356 HB2 ARG 42 1HB ARG 42 -7.559 -1.779 -6.164 357 HB3 ARG 42 2HB ARG 42 -8.395 -0.235 -6.179 358 HG2 ARG 42 1HG ARG 42 -7.157 0.462 -8.110 359 HG3 ARG 42 2HG ARG 42 -6.236 -1.051 -8.104 360 HD2 ARG 42 1HD ARG 42 -8.373 -2.281 -8.376 361 HD3 ARG 42 2HD ARG 42 -9.212 -0.737 -8.495 362 HE ARG 42 HE ARG 42 -7.074 -1.043 -10.399 363 HH11 ARG 42 1HH1 ARG 42 -10.482 -1.593 -9.764 364 HH12 ARG 42 2HH1 ARG 42 -10.892 -1.753 -11.444 365 HH21 ARG 42 1HH2 ARG 42 -7.643 -1.207 -12.627 366 HH22 ARG 42 2HH2 ARG 42 -9.300 -1.537 -13.060 367 H GLN 43 H GLN 43 -7.330 -1.534 -3.674 368 HA GLN 43 HA GLN 43 -9.121 0.046 -2.351 369 HB2 GLN 43 1HB GLN 43 -8.795 -2.370 -1.997 370 HB3 GLN 43 2HB GLN 43 -7.284 -2.037 -1.163 371 HG2 GLN 43 1HG GLN 43 -8.489 -0.853 0.593 372 HG3 GLN 43 2HG GLN 43 -10.012 -1.159 -0.242 373 HE21 GLN 43 1HE2 GLN 43 -10.806 -2.277 1.565 374 HE22 GLN 43 2HE2 GLN 43 -10.273 -3.881 1.936 375 H PHE 44 H PHE 44 -5.631 -0.089 -1.848 376 HA PHE 44 HA PHE 44 -5.661 1.469 0.543 377 HB2 PHE 44 1HB PHE 44 -3.885 -0.237 -0.422 378 HB3 PHE 44 2HB PHE 44 -3.218 1.216 -1.158 379 HD1 PHE 44 HD1 PHE 44 -3.977 -0.474 2.003 380 HD2 PHE 44 HD2 PHE 44 -2.106 2.872 0.157 381 HE1 PHE 44 HE1 PHE 44 -2.845 0.052 4.119 382 HE2 PHE 44 HE2 PHE 44 -0.968 3.404 2.272 383 HZ PHE 44 HZ PHE 44 -1.337 1.991 4.260 384 H PHE 45 H PHE 45 -4.989 2.188 -2.872 385 HA PHE 45 HA PHE 45 -4.275 4.920 -2.224 386 HB2 PHE 45 1HB PHE 45 -4.466 3.446 -4.847 387 HB3 PHE 45 2HB PHE 45 -4.064 5.154 -4.733 388 HD1 PHE 45 HD1 PHE 45 -2.196 5.431 -2.645 389 HD2 PHE 45 HD2 PHE 45 -2.642 2.184 -5.359 390 HE1 PHE 45 HE1 PHE 45 0.178 4.862 -2.350 391 HE2 PHE 45 HE2 PHE 45 -0.275 1.609 -5.066 392 HZ PHE 45 HZ PHE 45 1.145 2.947 -3.556 393 H GLU 46 H GLU 46 -6.953 3.252 -3.841 394 HA GLU 46 HA GLU 46 -8.231 5.610 -4.754 395 HB2 GLU 46 1HB GLU 46 -10.012 4.226 -5.430 396 HB3 GLU 46 2HB GLU 46 -8.587 3.205 -5.556 397 HG2 GLU 46 1HG GLU 46 -9.145 2.141 -3.439 398 HG3 GLU 46 2HG GLU 46 -10.571 3.168 -3.297 399 H GLU 47 H GLU 47 -8.467 3.701 -1.852 400 HA GLU 47 HA GLU 47 -10.326 5.669 -0.697 401 HB2 GLU 47 1HB GLU 47 -11.064 3.265 -0.849 402 HB3 GLU 47 2HB GLU 47 -9.757 2.848 0.247 403 HG2 GLU 47 1HG GLU 47 -10.749 4.239 1.979 404 HG3 GLU 47 2HG GLU 47 -12.043 4.706 0.875 405 H PHE 48 H PHE 48 -7.655 6.340 -0.919 406 HA PHE 48 HA PHE 48 -6.154 5.640 1.407 407 HB2 PHE 48 1HB PHE 48 -5.283 6.442 -0.890 408 HB3 PHE 48 2HB PHE 48 -5.640 8.062 -0.304 409 HD1 PHE 48 HD1 PHE 48 -3.953 4.998 1.026 410 HD2 PHE 48 HD2 PHE 48 -3.838 9.219 0.476 411 HE1 PHE 48 HE1 PHE 48 -1.756 5.082 2.128 412 HE2 PHE 48 HE2 PHE 48 -1.641 9.306 1.581 413 HZ PHE 48 HZ PHE 48 -0.596 7.236 2.408 414 H GLU 49 H GLU 49 -5.219 7.494 2.776 415 HA GLU 49 HA GLU 49 -7.311 8.458 4.397 416 HB2 GLU 49 1HB GLU 49 -5.563 9.515 5.714 417 HB3 GLU 49 2HB GLU 49 -5.044 7.906 5.221 418 HG2 GLU 49 1HG GLU 49 -3.632 8.805 3.516 419 HG3 GLU 49 2HG GLU 49 -4.264 10.428 3.779 420 H GLN 50 H GLN 50 -5.868 9.791 1.601 421 HA GLN 50 HA GLN 50 -6.202 12.545 2.392 422 HB2 GLN 50 1HB GLN 50 -5.452 11.424 -0.309 423 HB3 GLN 50 2HB GLN 50 -5.291 13.096 0.210 424 HG2 GLN 50 1HG GLN 50 -3.847 10.794 1.495 425 HG3 GLN 50 2HG GLN 50 -3.178 11.772 0.195 426 HE21 GLN 50 1HE2 GLN 50 -5.157 13.146 2.748 427 HE22 GLN 50 2HE2 GLN 50 -3.881 14.009 3.524 428 H ARG 51 H ARG 51 -8.366 10.277 1.430 429 HA ARG 51 HA ARG 51 -10.046 12.334 0.184 430 HB2 ARG 51 1HB ARG 51 -10.048 9.370 -0.385 431 HB3 ARG 51 2HB ARG 51 -11.244 10.499 -1.011 432 HG2 ARG 51 1HG ARG 51 -9.466 11.710 -2.181 433 HG3 ARG 51 2HG ARG 51 -8.289 10.549 -1.568 434 HD2 ARG 51 1HD ARG 51 -9.421 8.751 -2.749 435 HD3 ARG 51 2HD ARG 51 -10.645 9.882 -3.328 436 HE ARG 51 HE ARG 51 -8.435 11.017 -4.277 437 HH11 ARG 51 1HH1 ARG 51 -9.441 7.661 -4.322 438 HH12 ARG 51 2HH1 ARG 51 -8.608 7.304 -5.808 439 HH21 ARG 51 1HH2 ARG 51 -7.329 10.549 -6.197 440 HH22 ARG 51 2HH2 ARG 51 -7.379 8.942 -6.865 441 H LYS 52 H LYS 52 -9.540 10.949 2.889 442 HA LYS 52 HA LYS 52 -12.006 11.482 4.089 443 HB2 LYS 52 1HB LYS 52 -11.591 8.650 3.241 444 HB3 LYS 52 2HB LYS 52 -12.212 8.906 4.862 445 HG2 LYS 52 1HG LYS 52 -14.121 10.124 3.964 446 HG3 LYS 52 2HG LYS 52 -13.485 9.936 2.326 447 HD2 LYS 52 1HD LYS 52 -13.684 7.507 2.540 448 HD3 LYS 52 2HD LYS 52 -14.306 7.703 4.180 449 HE2 LYS 52 1HE LYS 52 -15.601 8.797 1.684 450 HE3 LYS 52 2HE LYS 52 -16.091 7.324 2.519 451 HZ1 LYS 52 3HZ LYS 52 -16.713 8.585 4.432 452 HZ2 LYS 52 1HZ LYS 52 -17.442 9.304 3.080 453 HZ3 LYS 52 2HZ LYS 52 -16.073 10.016 3.783 Start of MODEL 41 1 H1 MET 1 1H MET 1 -11.241 -6.066 5.158 2 H2 MET 1 2H MET 1 -12.611 -6.616 5.994 3 H3 MET 1 3H MET 1 -11.871 -7.609 4.835 4 HA MET 1 HA MET 1 -10.619 -6.706 7.362 5 HB2 MET 1 1HB MET 1 -12.453 -8.309 7.761 6 HB3 MET 1 2HB MET 1 -11.723 -9.425 6.612 7 HG2 MET 1 1HG MET 1 -9.704 -9.510 8.060 8 HG3 MET 1 2HG MET 1 -10.564 -8.526 9.243 9 HE1 MET 1 3HE MET 1 -10.027 -10.376 11.066 10 HE2 MET 1 1HE MET 1 -9.218 -11.378 9.862 11 HE3 MET 1 2HE MET 1 -10.460 -12.079 10.896 12 H LYS 2 H LYS 2 -10.407 -9.463 5.081 13 HA LYS 2 HA LYS 2 -7.553 -8.888 4.834 14 HB2 LYS 2 1HB LYS 2 -7.036 -11.309 5.179 15 HB3 LYS 2 2HB LYS 2 -7.560 -10.452 6.623 16 HG2 LYS 2 1HG LYS 2 -9.812 -11.420 6.343 17 HG3 LYS 2 2HG LYS 2 -9.222 -12.318 4.940 18 HD2 LYS 2 1HD LYS 2 -7.518 -13.374 6.406 19 HD3 LYS 2 2HD LYS 2 -8.249 -12.561 7.788 20 HE2 LYS 2 1HE LYS 2 -9.640 -14.525 5.971 21 HE3 LYS 2 2HE LYS 2 -8.975 -14.904 7.557 22 HZ1 LYS 2 3HZ LYS 2 -11.260 -14.557 7.859 23 HZ2 LYS 2 1HZ LYS 2 -11.274 -13.147 6.917 24 HZ3 LYS 2 2HZ LYS 2 -10.524 -13.146 8.435 25 H GLN 3 H GLN 3 -7.172 -8.682 2.788 26 HA GLN 3 HA GLN 3 -7.547 -11.000 1.096 27 HB2 GLN 3 1HB GLN 3 -9.578 -9.610 0.671 28 HB3 GLN 3 2HB GLN 3 -8.535 -8.282 0.182 29 HG2 GLN 3 1HG GLN 3 -9.525 -9.571 -1.694 30 HG3 GLN 3 2HG GLN 3 -7.764 -9.490 -1.718 31 HE21 GLN 3 1HE2 GLN 3 -6.572 -11.333 -1.383 32 HE22 GLN 3 2HE2 GLN 3 -7.265 -12.924 -1.386 33 H TRP 4 H TRP 4 -5.407 -9.814 2.445 34 HA TRP 4 HA TRP 4 -3.458 -9.572 0.436 35 HB2 TRP 4 1HB TRP 4 -2.691 -7.263 1.189 36 HB3 TRP 4 2HB TRP 4 -4.160 -7.257 0.223 37 HD1 TRP 4 HD1 TRP 4 -2.980 -6.693 3.832 38 HE1 TRP 4 HE1 TRP 4 -4.764 -5.363 5.101 39 HE3 TRP 4 HE3 TRP 4 -6.595 -6.677 0.272 40 HZ2 TRP 4 HZ2 TRP 4 -7.377 -4.421 4.641 41 HZ3 TRP 4 HZ3 TRP 4 -8.725 -5.536 0.752 42 HH2 TRP 4 HH2 TRP 4 -9.102 -4.431 2.895 43 H SER 5 H SER 5 -1.310 -9.521 1.605 44 HA SER 5 HA SER 5 -1.307 -10.933 3.996 45 HB2 SER 5 1HB SER 5 0.793 -8.954 3.051 46 HB3 SER 5 2HB SER 5 1.036 -10.256 4.215 47 HG SER 5 HG SER 5 1.666 -10.645 1.932 48 H GLU 6 H GLU 6 -2.169 -10.328 5.876 49 HA GLU 6 HA GLU 6 -3.403 -7.925 6.357 50 HB2 GLU 6 1HB GLU 6 -3.801 -9.982 7.640 51 HB3 GLU 6 2HB GLU 6 -2.246 -9.787 8.436 52 HG2 GLU 6 1HG GLU 6 -3.041 -7.641 9.370 53 HG3 GLU 6 2HG GLU 6 -4.618 -7.950 8.646 54 H ASN 7 H ASN 7 -0.103 -8.811 7.055 55 HA ASN 7 HA ASN 7 0.591 -6.617 8.675 56 HB2 ASN 7 1HB ASN 7 2.310 -8.298 6.850 57 HB3 ASN 7 2HB ASN 7 2.926 -7.155 8.035 58 HD21 ASN 7 1HD2 ASN 7 4.042 -8.763 9.103 59 HD22 ASN 7 2HD2 ASN 7 3.252 -9.952 10.086 60 H VAL 8 H VAL 8 -0.092 -6.815 5.319 61 HA VAL 8 HA VAL 8 1.786 -4.850 4.432 62 HB VAL 8 HB VAL 8 -0.720 -5.975 3.195 63 HG11 VAL 8 1HG1 VAL 8 1.266 -4.125 1.895 64 HG12 VAL 8 2HG1 VAL 8 -0.346 -3.654 2.437 65 HG13 VAL 8 3HG1 VAL 8 -0.160 -4.843 1.147 66 HG21 VAL 8 3HG2 VAL 8 1.069 -7.550 3.326 67 HG22 VAL 8 1HG2 VAL 8 2.217 -6.376 2.688 68 HG23 VAL 8 2HG2 VAL 8 0.936 -7.005 1.655 69 H GLU 9 H GLU 9 -1.551 -4.806 5.490 70 HA GLU 9 HA GLU 9 -2.320 -2.258 4.753 71 HB2 GLU 9 1HB GLU 9 -3.703 -4.093 5.799 72 HB3 GLU 9 2HB GLU 9 -3.025 -3.626 7.356 73 HG2 GLU 9 1HG GLU 9 -3.994 -1.387 7.093 74 HG3 GLU 9 2HG GLU 9 -4.686 -1.877 5.548 75 H GLU 10 H GLU 10 -0.839 -3.272 7.810 76 HA GLU 10 HA GLU 10 -0.527 -0.682 8.880 77 HB2 GLU 10 1HB GLU 10 -0.478 -2.419 10.448 78 HB3 GLU 10 2HB GLU 10 0.654 -3.376 9.498 79 HG2 GLU 10 1HG GLU 10 2.447 -1.841 10.026 80 HG3 GLU 10 2HG GLU 10 1.329 -0.809 10.928 81 H LYS 11 H LYS 11 1.848 -2.864 7.370 82 HA LYS 11 HA LYS 11 4.003 -1.077 7.800 83 HB2 LYS 11 1HB LYS 11 4.329 -3.461 7.712 84 HB3 LYS 11 2HB LYS 11 3.760 -3.520 6.048 85 HG2 LYS 11 1HG LYS 11 5.690 -2.271 5.299 86 HG3 LYS 11 2HG LYS 11 6.241 -2.066 6.960 87 HD2 LYS 11 1HD LYS 11 6.615 -4.453 7.169 88 HD3 LYS 11 2HD LYS 11 5.930 -4.732 5.566 89 HE2 LYS 11 1HE LYS 11 8.370 -4.796 5.521 90 HE3 LYS 11 2HE LYS 11 7.742 -3.464 4.552 91 HZ1 LYS 11 3HZ LYS 11 9.663 -2.838 5.920 92 HZ2 LYS 11 1HZ LYS 11 8.787 -3.198 7.327 93 HZ3 LYS 11 2HZ LYS 11 8.283 -1.935 6.310 94 H LEU 12 H LEU 12 1.811 -1.537 5.090 95 HA LEU 12 HA LEU 12 3.375 -0.121 3.192 96 HB2 LEU 12 1HB LEU 12 1.454 -1.600 2.625 97 HB3 LEU 12 2HB LEU 12 0.369 -0.389 3.270 98 HG LEU 12 HG LEU 12 1.117 1.196 1.540 99 HD11 LEU 12 1HD1 LEU 12 2.707 -1.137 0.492 100 HD12 LEU 12 2HD1 LEU 12 3.377 0.323 1.220 101 HD13 LEU 12 3HD1 LEU 12 2.498 0.420 -0.307 102 HD21 LEU 12 3HD2 LEU 12 0.165 -1.477 0.518 103 HD22 LEU 12 1HD2 LEU 12 0.081 0.040 -0.373 104 HD23 LEU 12 2HD2 LEU 12 -0.842 -0.158 1.117 105 H LYS 13 H LYS 13 0.909 0.859 5.553 106 HA LYS 13 HA LYS 13 0.757 3.571 4.903 107 HB2 LYS 13 1HB LYS 13 -0.718 2.722 6.586 108 HB3 LYS 13 2HB LYS 13 0.630 2.192 7.587 109 HG2 LYS 13 1HG LYS 13 1.282 4.605 7.816 110 HG3 LYS 13 2HG LYS 13 -0.237 5.029 7.028 111 HD2 LYS 13 1HD LYS 13 -0.552 5.158 9.406 112 HD3 LYS 13 2HD LYS 13 -1.433 3.749 8.812 113 HE2 LYS 13 1HE LYS 13 0.435 2.306 9.498 114 HE3 LYS 13 2HE LYS 13 1.291 3.716 10.120 115 HZ1 LYS 13 3HZ LYS 13 0.206 2.591 11.912 116 HZ2 LYS 13 1HZ LYS 13 -1.290 2.628 11.109 117 HZ3 LYS 13 2HZ LYS 13 -0.587 4.068 11.655 118 H GLU 14 H GLU 14 3.093 1.841 6.918 119 HA GLU 14 HA GLU 14 4.516 4.146 7.729 120 HB2 GLU 14 1HB GLU 14 5.394 1.265 7.583 121 HB3 GLU 14 2HB GLU 14 6.282 2.544 8.403 122 HG2 GLU 14 1HG GLU 14 4.360 2.900 9.887 123 HG3 GLU 14 2HG GLU 14 3.514 1.574 9.088 124 H PHE 15 H PHE 15 5.037 1.836 5.106 125 HA PHE 15 HA PHE 15 7.513 2.893 4.272 126 HB2 PHE 15 1HB PHE 15 6.321 0.647 3.696 127 HB3 PHE 15 2HB PHE 15 5.611 1.568 2.380 128 HD1 PHE 15 HD1 PHE 15 8.996 1.359 3.913 129 HD2 PHE 15 HD2 PHE 15 6.692 1.109 0.336 130 HE1 PHE 15 HE1 PHE 15 11.046 0.956 2.619 131 HE2 PHE 15 HE2 PHE 15 8.738 0.703 -0.948 132 HZ PHE 15 HZ PHE 15 10.917 0.632 0.186 133 H VAL 16 H VAL 16 4.204 3.727 3.487 134 HA VAL 16 HA VAL 16 5.055 5.604 1.432 135 HB VAL 16 HB VAL 16 2.287 5.019 2.509 136 HG11 VAL 16 1HG1 VAL 16 1.479 6.269 0.556 137 HG12 VAL 16 2HG1 VAL 16 3.140 6.693 0.144 138 HG13 VAL 16 3HG1 VAL 16 2.421 7.293 1.637 139 HG21 VAL 16 3HG2 VAL 16 3.684 4.173 -0.029 140 HG22 VAL 16 1HG2 VAL 16 1.978 3.902 0.325 141 HG23 VAL 16 2HG2 VAL 16 3.216 3.131 1.318 142 H LYS 17 H LYS 17 3.280 5.808 4.533 143 HA LYS 17 HA LYS 17 3.095 8.632 4.476 144 HB2 LYS 17 1HB LYS 17 1.621 7.030 5.739 145 HB3 LYS 17 2HB LYS 17 2.916 6.892 6.918 146 HG2 LYS 17 1HG LYS 17 2.742 9.477 7.028 147 HG3 LYS 17 2HG LYS 17 1.157 9.208 6.291 148 HD2 LYS 17 1HD LYS 17 0.533 7.731 8.100 149 HD3 LYS 17 2HD LYS 17 2.124 7.928 8.832 150 HE2 LYS 17 1HE LYS 17 0.085 10.113 8.408 151 HE3 LYS 17 2HE LYS 17 0.438 9.319 9.942 152 HZ1 LYS 17 3HZ LYS 17 1.603 11.376 9.886 153 HZ2 LYS 17 1HZ LYS 17 2.259 11.048 8.357 154 HZ3 LYS 17 2HZ LYS 17 2.756 10.146 9.700 155 H ARG 18 H ARG 18 5.211 6.441 6.311 156 HA ARG 18 HA ARG 18 6.456 8.665 7.660 157 HB2 ARG 18 1HB ARG 18 7.153 5.723 7.700 158 HB3 ARG 18 2HB ARG 18 7.788 6.944 8.794 159 HG2 ARG 18 1HG ARG 18 5.586 7.310 9.725 160 HG3 ARG 18 2HG ARG 18 4.883 6.178 8.569 161 HD2 ARG 18 1HD ARG 18 5.148 5.055 10.670 162 HD3 ARG 18 2HD ARG 18 6.324 4.396 9.534 163 HE ARG 18 HE ARG 18 7.630 6.423 10.876 164 HH11 ARG 18 1HH1 ARG 18 6.125 3.359 11.699 165 HH12 ARG 18 2HH1 ARG 18 7.074 3.138 13.137 166 HH21 ARG 18 1HH2 ARG 18 8.871 6.132 12.756 167 HH22 ARG 18 2HH2 ARG 18 8.621 4.732 13.755 168 H HIS 19 H HIS 19 7.159 6.645 4.914 169 HA HIS 19 HA HIS 19 9.913 7.593 4.905 170 HB2 HIS 19 1HB HIS 19 8.569 5.285 3.539 171 HB3 HIS 19 2HB HIS 19 10.157 5.848 3.026 172 HD1 HIS 19 HD1 HIS 19 12.099 4.791 4.231 173 HD2 HIS 19 HD2 HIS 19 8.549 4.548 6.393 174 HE1 HIS 19 HE1 HIS 19 12.613 3.434 6.302 175 H GLN 20 H GLN 20 7.545 9.199 4.043 176 HA GLN 20 HA GLN 20 7.163 10.868 2.555 177 HB2 GLN 20 1HB GLN 20 10.002 10.227 1.786 178 HB3 GLN 20 2HB GLN 20 9.123 11.638 1.212 179 HG2 GLN 20 1HG GLN 20 8.913 12.453 3.487 180 HG3 GLN 20 2HG GLN 20 9.730 11.016 4.098 181 HE21 GLN 20 1HE2 GLN 20 11.945 10.777 3.751 182 HE22 GLN 20 2HE2 GLN 20 12.951 12.113 3.310 183 H ARG 21 H ARG 21 6.426 8.197 1.842 184 HA ARG 21 HA ARG 21 5.325 7.164 0.177 185 HB2 ARG 21 1HB ARG 21 5.796 9.731 -1.348 186 HB3 ARG 21 2HB ARG 21 4.688 8.454 -1.823 187 HG2 ARG 21 1HG ARG 21 3.361 8.834 0.169 188 HG3 ARG 21 2HG ARG 21 4.499 10.073 0.704 189 HD2 ARG 21 1HD ARG 21 2.886 10.165 -1.840 190 HD3 ARG 21 2HD ARG 21 2.494 11.020 -0.353 191 HE ARG 21 HE ARG 21 5.084 11.545 -1.616 192 HH11 ARG 21 1HH1 ARG 21 1.848 12.614 -0.813 193 HH12 ARG 21 2HH1 ARG 21 2.167 14.283 -1.180 194 HH21 ARG 21 1HH2 ARG 21 5.505 13.743 -2.120 195 HH22 ARG 21 2HH2 ARG 21 4.230 14.916 -1.967 196 H ILE 22 H ILE 22 5.518 6.616 -2.302 197 HA ILE 22 HA ILE 22 8.283 6.367 -3.153 198 HB ILE 22 HB ILE 22 7.984 4.425 -1.701 199 HG12 ILE 22 1HG1 ILE 22 7.889 3.569 -4.599 200 HG13 ILE 22 2HG1 ILE 22 9.323 4.190 -3.782 201 HG21 ILE 22 1HG2 ILE 22 5.610 3.783 -3.442 202 HG22 ILE 22 2HG2 ILE 22 5.596 4.189 -1.724 203 HG23 ILE 22 3HG2 ILE 22 6.321 2.676 -2.267 204 HD11 ILE 22 3HD1 ILE 22 7.824 1.710 -2.993 205 HD12 ILE 22 1HD1 ILE 22 9.325 2.310 -2.287 206 HD13 ILE 22 2HD1 ILE 22 9.301 1.748 -3.959 207 H THR 23 H THR 23 8.463 5.840 -5.389 208 HA THR 23 HA THR 23 6.383 6.788 -7.027 209 HB THR 23 HB THR 23 7.765 5.798 -8.900 210 HG1 THR 23 HG1 THR 23 9.619 4.746 -8.418 211 HG21 THR 23 3HG2 THR 23 8.075 8.102 -8.151 212 HG22 THR 23 1HG2 THR 23 9.618 7.376 -8.605 213 HG23 THR 23 2HG2 THR 23 9.195 7.553 -6.902 214 H GLN 24 H GLN 24 5.046 5.692 -8.519 215 HA GLN 24 HA GLN 24 3.687 3.499 -7.414 216 HB2 GLN 24 1HB GLN 24 2.655 5.177 -8.902 217 HB3 GLN 24 2HB GLN 24 3.587 4.542 -10.250 218 HG2 GLN 24 1HG GLN 24 2.439 2.389 -10.014 219 HG3 GLN 24 2HG GLN 24 1.484 3.053 -8.691 220 HE21 GLN 24 1HE2 GLN 24 2.076 3.096 -12.111 221 HE22 GLN 24 2HE2 GLN 24 0.614 3.914 -12.554 222 H GLU 25 H GLU 25 6.159 3.673 -9.907 223 HA GLU 25 HA GLU 25 5.967 1.063 -10.906 224 HB2 GLU 25 1HB GLU 25 7.269 2.763 -12.031 225 HB3 GLU 25 2HB GLU 25 8.335 2.917 -10.642 226 HG2 GLU 25 1HG GLU 25 9.099 0.605 -11.011 227 HG3 GLU 25 2HG GLU 25 8.089 0.531 -12.457 228 H GLU 26 H GLU 26 8.081 2.366 -8.355 229 HA GLU 26 HA GLU 26 9.120 -0.201 -7.683 230 HB2 GLU 26 1HB GLU 26 9.241 2.447 -6.242 231 HB3 GLU 26 2HB GLU 26 10.096 0.999 -5.717 232 HG2 GLU 26 1HG GLU 26 11.345 0.963 -7.806 233 HG3 GLU 26 2HG GLU 26 10.461 2.384 -8.368 234 H LEU 27 H LEU 27 6.409 1.720 -6.624 235 HA LEU 27 HA LEU 27 5.696 0.447 -4.274 236 HB2 LEU 27 1HB LEU 27 4.454 2.339 -5.040 237 HB3 LEU 27 2HB LEU 27 4.007 1.521 -6.525 238 HG LEU 27 HG LEU 27 2.730 -0.129 -5.072 239 HD11 LEU 27 1HD1 LEU 27 2.043 0.680 -2.868 240 HD12 LEU 27 2HD1 LEU 27 3.162 2.033 -3.021 241 HD13 LEU 27 3HD1 LEU 27 3.779 0.383 -2.947 242 HD21 LEU 27 3HD2 LEU 27 0.795 1.361 -4.886 243 HD22 LEU 27 1HD2 LEU 27 1.633 1.573 -6.425 244 HD23 LEU 27 2HD2 LEU 27 1.848 2.753 -5.132 245 H HIS 28 H HIS 28 4.924 -0.520 -7.627 246 HA HIS 28 HA HIS 28 3.387 -2.769 -6.826 247 HB2 HIS 28 1HB HIS 28 3.467 -1.504 -9.131 248 HB3 HIS 28 2HB HIS 28 4.721 -2.683 -9.504 249 HD1 HIS 28 HD1 HIS 28 3.661 -5.280 -8.520 250 HD2 HIS 28 HD2 HIS 28 1.177 -2.394 -10.179 251 HE1 HIS 28 HE1 HIS 28 1.547 -6.478 -9.203 252 H GLN 29 H GLN 29 6.789 -2.295 -7.567 253 HA GLN 29 HA GLN 29 7.567 -5.008 -7.505 254 HB2 GLN 29 1HB GLN 29 9.093 -3.294 -8.299 255 HB3 GLN 29 2HB GLN 29 9.082 -2.505 -6.729 256 HG2 GLN 29 1HG GLN 29 11.129 -3.750 -7.037 257 HG3 GLN 29 2HG GLN 29 10.168 -4.448 -5.735 258 HE21 GLN 29 1HE2 GLN 29 9.204 -6.445 -6.020 259 HE22 GLN 29 2HE2 GLN 29 9.683 -7.530 -7.284 260 H TYR 30 H TYR 30 7.317 -2.543 -4.996 261 HA TYR 30 HA TYR 30 8.118 -4.126 -2.818 262 HB2 TYR 30 1HB TYR 30 8.040 -1.684 -2.754 263 HB3 TYR 30 2HB TYR 30 6.291 -1.717 -2.931 264 HD1 TYR 30 HD1 TYR 30 8.813 -3.343 -0.692 265 HD2 TYR 30 HD2 TYR 30 5.146 -1.211 -1.011 266 HE1 TYR 30 HE1 TYR 30 8.579 -3.385 1.754 267 HE2 TYR 30 HE2 TYR 30 4.908 -1.247 1.436 268 HH TYR 30 HH TYR 30 5.666 -2.481 3.331 269 H ALA 31 H ALA 31 4.985 -3.597 -4.346 270 HA ALA 31 HA ALA 31 3.369 -4.846 -2.428 271 HB1 ALA 31 3HB ALA 31 2.491 -3.450 -4.257 272 HB2 ALA 31 1HB ALA 31 1.689 -5.019 -4.178 273 HB3 ALA 31 2HB ALA 31 2.914 -4.716 -5.408 274 H GLN 32 H GLN 32 5.244 -6.146 -5.091 275 HA GLN 32 HA GLN 32 4.127 -8.777 -4.925 276 HB2 GLN 32 1HB GLN 32 6.658 -7.772 -6.243 277 HB3 GLN 32 2HB GLN 32 6.016 -9.399 -6.426 278 HG2 GLN 32 1HG GLN 32 4.027 -8.535 -7.485 279 HG3 GLN 32 2HG GLN 32 4.572 -6.879 -7.219 280 HE21 GLN 32 1HE2 GLN 32 6.259 -6.060 -8.456 281 HE22 GLN 32 2HE2 GLN 32 6.765 -6.814 -9.933 282 H ARG 33 H ARG 33 6.686 -7.078 -3.342 283 HA ARG 33 HA ARG 33 7.929 -9.472 -2.299 284 HB2 ARG 33 1HB ARG 33 9.211 -7.400 -2.829 285 HB3 ARG 33 2HB ARG 33 8.373 -6.585 -1.518 286 HG2 ARG 33 1HG ARG 33 9.421 -7.922 0.114 287 HG3 ARG 33 2HG ARG 33 10.012 -9.064 -1.096 288 HD2 ARG 33 1HD ARG 33 11.824 -7.644 -0.360 289 HD3 ARG 33 2HD ARG 33 11.435 -7.298 -2.044 290 HE ARG 33 HE ARG 33 10.394 -5.601 0.127 291 HH11 ARG 33 1HH1 ARG 33 12.181 -5.998 -2.858 292 HH12 ARG 33 2HH1 ARG 33 12.456 -4.293 -3.078 293 HH21 ARG 33 1HH2 ARG 33 10.782 -3.348 -0.143 294 HH22 ARG 33 2HH2 ARG 33 11.663 -2.786 -1.539 295 H LEU 34 H LEU 34 5.264 -7.576 -1.561 296 HA LEU 34 HA LEU 34 5.244 -8.303 1.267 297 HB2 LEU 34 1HB LEU 34 3.317 -6.678 -0.396 298 HB3 LEU 34 2HB LEU 34 3.146 -6.977 1.323 299 HG LEU 34 HG LEU 34 5.438 -5.480 0.054 300 HD11 LEU 34 1HD1 LEU 34 4.410 -3.498 1.030 301 HD12 LEU 34 2HD1 LEU 34 3.044 -4.467 1.576 302 HD13 LEU 34 3HD1 LEU 34 3.344 -4.260 -0.150 303 HD21 LEU 34 3HD2 LEU 34 4.666 -5.896 2.938 304 HD22 LEU 34 1HD2 LEU 34 5.977 -4.864 2.361 305 HD23 LEU 34 2HD2 LEU 34 6.054 -6.608 2.118 306 H GLY 35 H GLY 35 4.139 -9.425 -1.733 307 HA2 GLY 35 1HA GLY 35 2.980 -11.386 -2.186 308 HA3 GLY 35 2HA GLY 35 2.563 -11.514 -0.486 309 H LEU 36 H LEU 36 2.052 -8.855 -2.764 310 HA LEU 36 HA LEU 36 -0.669 -8.700 -1.739 311 HB2 LEU 36 1HB LEU 36 1.093 -6.724 -3.139 312 HB3 LEU 36 2HB LEU 36 -0.627 -6.457 -2.929 313 HG LEU 36 HG LEU 36 1.398 -6.787 -0.715 314 HD11 LEU 36 1HD1 LEU 36 0.882 -4.466 -0.238 315 HD12 LEU 36 2HD1 LEU 36 -0.271 -4.424 -1.572 316 HD13 LEU 36 3HD1 LEU 36 1.449 -4.624 -1.902 317 HD21 LEU 36 3HD2 LEU 36 -0.708 -7.816 -0.104 318 HD22 LEU 36 1HD2 LEU 36 -1.589 -6.385 -0.639 319 HD23 LEU 36 2HD2 LEU 36 -0.516 -6.287 0.755 320 H ASN 37 H ASN 37 -2.155 -7.591 -3.196 321 HA ASN 37 HA ASN 37 -2.071 -8.308 -6.007 322 HB2 ASN 37 1HB ASN 37 -4.536 -8.963 -5.806 323 HB3 ASN 37 2HB ASN 37 -3.373 -10.125 -5.189 324 HD21 ASN 37 1HD2 ASN 37 -4.088 -7.230 -3.350 325 HD22 ASN 37 2HD2 ASN 37 -5.004 -8.037 -2.110 326 H GLU 38 H GLU 38 -4.076 -7.096 -7.067 327 HA GLU 38 HA GLU 38 -3.544 -4.377 -6.522 328 HB2 GLU 38 1HB GLU 38 -5.635 -5.675 -8.252 329 HB3 GLU 38 2HB GLU 38 -5.400 -3.935 -8.161 330 HG2 GLU 38 1HG GLU 38 -3.037 -4.297 -8.862 331 HG3 GLU 38 2HG GLU 38 -3.440 -5.993 -9.134 332 H GLU 39 H GLU 39 -5.821 -6.509 -5.150 333 HA GLU 39 HA GLU 39 -7.947 -4.968 -4.359 334 HB2 GLU 39 1HB GLU 39 -7.891 -7.263 -3.745 335 HB3 GLU 39 2HB GLU 39 -6.358 -7.081 -2.908 336 HG2 GLU 39 1HG GLU 39 -7.939 -7.313 -1.219 337 HG3 GLU 39 2HG GLU 39 -7.595 -5.587 -1.274 338 H ALA 40 H ALA 40 -4.867 -5.327 -2.661 339 HA ALA 40 HA ALA 40 -5.505 -3.190 -0.826 340 HB1 ALA 40 3HB ALA 40 -2.941 -4.744 -1.148 341 HB2 ALA 40 1HB ALA 40 -4.270 -5.176 -0.072 342 HB3 ALA 40 2HB ALA 40 -3.362 -3.689 0.202 343 H ILE 41 H ILE 41 -3.477 -3.700 -3.640 344 HA ILE 41 HA ILE 41 -1.811 -1.482 -3.385 345 HB ILE 41 HB ILE 41 -2.742 -2.778 -5.949 346 HG12 ILE 41 1HG1 ILE 41 -0.287 -3.353 -4.270 347 HG13 ILE 41 2HG1 ILE 41 -1.727 -4.366 -4.327 348 HG21 ILE 41 1HG2 ILE 41 -0.682 -1.899 -6.914 349 HG22 ILE 41 2HG2 ILE 41 -0.285 -1.119 -5.384 350 HG23 ILE 41 3HG2 ILE 41 -1.698 -0.595 -6.299 351 HD11 ILE 41 3HD1 ILE 41 0.031 -5.282 -5.715 352 HD12 ILE 41 1HD1 ILE 41 0.121 -3.779 -6.632 353 HD13 ILE 41 2HD1 ILE 41 -1.335 -4.772 -6.707 354 H ARG 42 H ARG 42 -4.781 -1.867 -5.285 355 HA ARG 42 HA ARG 42 -4.746 0.822 -6.244 356 HB2 ARG 42 1HB ARG 42 -5.655 -0.988 -7.572 357 HB3 ARG 42 2HB ARG 42 -6.862 -1.332 -6.347 358 HG2 ARG 42 1HG ARG 42 -7.955 0.760 -6.793 359 HG3 ARG 42 2HG ARG 42 -6.665 1.213 -7.906 360 HD2 ARG 42 1HD ARG 42 -8.683 0.382 -9.063 361 HD3 ARG 42 2HD ARG 42 -7.239 -0.571 -9.404 362 HE ARG 42 HE ARG 42 -9.209 -1.438 -7.383 363 HH11 ARG 42 1HH1 ARG 42 -7.305 -2.035 -10.265 364 HH12 ARG 42 2HH1 ARG 42 -7.782 -3.700 -10.409 365 HH21 ARG 42 1HH2 ARG 42 -9.843 -3.641 -7.555 366 HH22 ARG 42 2HH2 ARG 42 -9.231 -4.607 -8.861 367 H GLN 43 H GLN 43 -6.600 -0.914 -3.762 368 HA GLN 43 HA GLN 43 -8.408 1.136 -3.138 369 HB2 GLN 43 1HB GLN 43 -9.000 -0.924 -2.269 370 HB3 GLN 43 2HB GLN 43 -7.375 -1.269 -1.698 371 HG2 GLN 43 1HG GLN 43 -7.661 0.370 0.095 372 HG3 GLN 43 2HG GLN 43 -9.295 0.700 -0.474 373 HE21 GLN 43 1HE2 GLN 43 -8.045 -2.520 -0.615 374 HE22 GLN 43 2HE2 GLN 43 -8.987 -3.161 0.685 375 H PHE 44 H PHE 44 -5.139 0.497 -1.953 376 HA PHE 44 HA PHE 44 -5.284 2.175 0.309 377 HB2 PHE 44 1HB PHE 44 -3.544 0.323 -0.417 378 HB3 PHE 44 2HB PHE 44 -2.680 1.708 -1.077 379 HD1 PHE 44 HD1 PHE 44 -3.891 0.088 1.969 380 HD2 PHE 44 HD2 PHE 44 -1.657 3.336 0.371 381 HE1 PHE 44 HE1 PHE 44 -2.956 0.533 4.200 382 HE2 PHE 44 HE2 PHE 44 -0.719 3.792 2.599 383 HZ PHE 44 HZ PHE 44 -1.368 2.388 4.520 384 H PHE 45 H PHE 45 -4.490 2.821 -3.046 385 HA PHE 45 HA PHE 45 -3.537 5.493 -2.380 386 HB2 PHE 45 1HB PHE 45 -3.485 3.805 -4.848 387 HB3 PHE 45 2HB PHE 45 -3.301 5.550 -4.994 388 HD1 PHE 45 HD1 PHE 45 -1.980 2.917 -2.685 389 HD2 PHE 45 HD2 PHE 45 -1.132 6.204 -5.245 390 HE1 PHE 45 HE1 PHE 45 0.412 2.704 -2.155 391 HE2 PHE 45 HE2 PHE 45 1.264 5.999 -4.723 392 HZ PHE 45 HZ PHE 45 2.044 4.244 -3.182 393 H GLU 46 H GLU 46 -6.124 4.035 -4.390 394 HA GLU 46 HA GLU 46 -7.106 6.675 -5.030 395 HB2 GLU 46 1HB GLU 46 -8.124 3.938 -5.761 396 HB3 GLU 46 2HB GLU 46 -8.878 5.434 -6.285 397 HG2 GLU 46 1HG GLU 46 -6.706 6.064 -7.339 398 HG3 GLU 46 2HG GLU 46 -6.126 4.443 -6.961 399 H GLU 47 H GLU 47 -7.948 4.148 -2.775 400 HA GLU 47 HA GLU 47 -10.391 5.652 -2.079 401 HB2 GLU 47 1HB GLU 47 -10.635 3.281 -3.032 402 HB3 GLU 47 2HB GLU 47 -9.944 2.724 -1.515 403 HG2 GLU 47 1HG GLU 47 -11.794 3.886 -0.319 404 HG3 GLU 47 2HG GLU 47 -12.513 4.244 -1.889 405 H PHE 48 H PHE 48 -7.845 6.326 -1.037 406 HA PHE 48 HA PHE 48 -7.524 5.140 1.549 407 HB2 PHE 48 1HB PHE 48 -5.767 6.449 0.097 408 HB3 PHE 48 2HB PHE 48 -6.465 7.855 0.892 409 HD1 PHE 48 HD1 PHE 48 -5.209 4.472 1.829 410 HD2 PHE 48 HD2 PHE 48 -5.424 8.615 2.775 411 HE1 PHE 48 HE1 PHE 48 -3.763 4.096 3.782 412 HE2 PHE 48 HE2 PHE 48 -3.982 8.247 4.730 413 HZ PHE 48 HZ PHE 48 -3.149 5.987 5.239 414 H GLU 49 H GLU 49 -7.693 6.424 3.553 415 HA GLU 49 HA GLU 49 -10.401 7.346 3.715 416 HB2 GLU 49 1HB GLU 49 -9.956 7.508 6.151 417 HB3 GLU 49 2HB GLU 49 -9.581 5.933 5.467 418 HG2 GLU 49 1HG GLU 49 -7.220 6.449 5.471 419 HG3 GLU 49 2HG GLU 49 -7.554 8.078 6.055 420 H GLN 50 H GLN 50 -7.300 8.852 3.566 421 HA GLN 50 HA GLN 50 -8.223 11.401 4.561 422 HB2 GLN 50 1HB GLN 50 -5.659 10.711 3.110 423 HB3 GLN 50 2HB GLN 50 -5.999 12.220 3.944 424 HG2 GLN 50 1HG GLN 50 -6.160 10.984 6.060 425 HG3 GLN 50 2HG GLN 50 -5.737 9.500 5.205 426 HE21 GLN 50 1HE2 GLN 50 -3.892 10.999 3.421 427 HE22 GLN 50 2HE2 GLN 50 -2.483 11.321 4.374 428 H ARG 51 H ARG 51 -8.298 9.731 1.597 429 HA ARG 51 HA ARG 51 -8.272 12.188 0.033 430 HB2 ARG 51 1HB ARG 51 -6.695 10.601 -0.776 431 HB3 ARG 51 2HB ARG 51 -7.864 9.289 -0.681 432 HG2 ARG 51 1HG ARG 51 -9.168 10.318 -2.441 433 HG3 ARG 51 2HG ARG 51 -7.996 11.630 -2.552 434 HD2 ARG 51 1HD ARG 51 -6.262 10.000 -3.167 435 HD3 ARG 51 2HD ARG 51 -7.462 8.710 -3.084 436 HE ARG 51 HE ARG 51 -8.434 10.643 -4.836 437 HH11 ARG 51 1HH1 ARG 51 -5.779 8.371 -4.633 438 HH12 ARG 51 2HH1 ARG 51 -5.606 8.211 -6.356 439 HH21 ARG 51 1HH2 ARG 51 -8.233 10.419 -7.117 440 HH22 ARG 51 2HH2 ARG 51 -7.010 9.367 -7.763 441 H LYS 52 H LYS 52 -10.275 13.007 -0.040 442 HA LYS 52 HA LYS 52 -12.396 11.215 -1.016 443 HB2 LYS 52 1HB LYS 52 -12.720 13.832 0.481 444 HB3 LYS 52 2HB LYS 52 -14.029 12.822 -0.116 445 HG2 LYS 52 1HG LYS 52 -13.246 11.009 1.388 446 HG3 LYS 52 2HG LYS 52 -12.049 12.129 2.043 447 HD2 LYS 52 1HD LYS 52 -13.946 12.108 3.510 448 HD3 LYS 52 2HD LYS 52 -13.913 13.656 2.667 449 HE2 LYS 52 1HE LYS 52 -16.184 12.756 2.779 450 HE3 LYS 52 2HE LYS 52 -15.617 12.861 1.112 451 HZ1 LYS 52 3HZ LYS 52 -15.189 10.515 1.104 452 HZ2 LYS 52 1HZ LYS 52 -16.781 10.763 1.625 453 HZ3 LYS 52 2HZ LYS 52 -15.572 10.377 2.750 Start of MODEL 42 1 H1 MET 1 1H MET 1 -12.023 -7.537 6.712 2 H2 MET 1 2H MET 1 -13.553 -7.931 6.100 3 H3 MET 1 3H MET 1 -12.464 -7.046 5.149 4 HA MET 1 HA MET 1 -12.087 -9.840 6.053 5 HB2 MET 1 1HB MET 1 -13.836 -9.604 4.325 6 HB3 MET 1 2HB MET 1 -12.723 -8.690 3.318 7 HG2 MET 1 1HG MET 1 -11.244 -10.709 3.277 8 HG3 MET 1 2HG MET 1 -12.542 -11.590 4.079 9 HE1 MET 1 3HE MET 1 -12.607 -12.939 0.376 10 HE2 MET 1 1HE MET 1 -12.428 -13.375 2.076 11 HE3 MET 1 2HE MET 1 -11.176 -12.429 1.273 12 H LYS 2 H LYS 2 -10.105 -10.818 5.218 13 HA LYS 2 HA LYS 2 -7.921 -8.990 5.015 14 HB2 LYS 2 1HB LYS 2 -6.522 -10.942 4.661 15 HB3 LYS 2 2HB LYS 2 -7.667 -11.276 5.950 16 HG2 LYS 2 1HG LYS 2 -8.988 -12.648 4.531 17 HG3 LYS 2 2HG LYS 2 -8.080 -12.148 3.105 18 HD2 LYS 2 1HD LYS 2 -6.049 -13.175 4.175 19 HD3 LYS 2 2HD LYS 2 -7.127 -13.848 5.401 20 HE2 LYS 2 1HE LYS 2 -8.383 -15.011 3.659 21 HE3 LYS 2 2HE LYS 2 -7.320 -14.329 2.429 22 HZ1 LYS 2 3HZ LYS 2 -6.542 -16.210 4.594 23 HZ2 LYS 2 1HZ LYS 2 -5.459 -15.494 3.505 24 HZ3 LYS 2 2HZ LYS 2 -6.643 -16.556 2.936 25 H GLN 3 H GLN 3 -7.225 -7.960 3.288 26 HA GLN 3 HA GLN 3 -7.884 -9.058 0.639 27 HB2 GLN 3 1HB GLN 3 -9.060 -6.849 1.488 28 HB3 GLN 3 2HB GLN 3 -7.533 -6.116 1.008 29 HG2 GLN 3 1HG GLN 3 -8.956 -5.903 -0.839 30 HG3 GLN 3 2HG GLN 3 -7.846 -7.214 -1.234 31 HE21 GLN 3 1HE2 GLN 3 -9.308 -9.099 0.563 32 HE22 GLN 3 2HE2 GLN 3 -10.739 -9.521 -0.307 33 H TRP 4 H TRP 4 -5.779 -6.677 2.216 34 HA TRP 4 HA TRP 4 -3.495 -7.594 0.694 35 HB2 TRP 4 1HB TRP 4 -2.435 -6.059 2.664 36 HB3 TRP 4 2HB TRP 4 -3.039 -5.407 1.150 37 HD1 TRP 4 HD1 TRP 4 -4.594 -3.418 1.478 38 HE1 TRP 4 HE1 TRP 4 -6.188 -2.572 3.312 39 HE3 TRP 4 HE3 TRP 4 -4.057 -7.231 4.834 40 HZ2 TRP 4 HZ2 TRP 4 -7.096 -3.412 5.843 41 HZ3 TRP 4 HZ3 TRP 4 -5.325 -7.133 6.936 42 HH2 TRP 4 HH2 TRP 4 -6.811 -5.263 7.429 43 H SER 5 H SER 5 -1.479 -7.980 2.244 44 HA SER 5 HA SER 5 -2.209 -10.020 4.153 45 HB2 SER 5 1HB SER 5 -0.184 -10.345 2.808 46 HB3 SER 5 2HB SER 5 0.505 -8.865 3.470 47 HG SER 5 HG SER 5 -0.172 -11.217 4.921 48 H GLU 6 H GLU 6 -2.338 -9.734 6.318 49 HA GLU 6 HA GLU 6 -2.975 -7.220 7.322 50 HB2 GLU 6 1HB GLU 6 -3.618 -9.451 8.281 51 HB3 GLU 6 2HB GLU 6 -1.998 -9.571 8.950 52 HG2 GLU 6 1HG GLU 6 -3.433 -8.840 10.681 53 HG3 GLU 6 2HG GLU 6 -2.445 -7.458 10.204 54 H ASN 7 H ASN 7 0.107 -8.873 7.245 55 HA ASN 7 HA ASN 7 1.428 -7.106 9.074 56 HB2 ASN 7 1HB ASN 7 2.554 -9.005 7.013 57 HB3 ASN 7 2HB ASN 7 3.506 -8.175 8.240 58 HD21 ASN 7 1HD2 ASN 7 3.297 -8.789 10.400 59 HD22 ASN 7 2HD2 ASN 7 2.619 -10.325 10.848 60 H VAL 8 H VAL 8 0.768 -7.101 5.676 61 HA VAL 8 HA VAL 8 2.967 -5.405 4.962 62 HB VAL 8 HB VAL 8 0.519 -6.130 3.347 63 HG11 VAL 8 1HG1 VAL 8 1.990 -5.492 1.433 64 HG12 VAL 8 2HG1 VAL 8 3.137 -4.837 2.598 65 HG13 VAL 8 3HG1 VAL 8 1.518 -4.150 2.468 66 HG21 VAL 8 3HG2 VAL 8 2.010 -7.760 2.263 67 HG22 VAL 8 1HG2 VAL 8 1.798 -8.100 3.980 68 HG23 VAL 8 2HG2 VAL 8 3.286 -7.346 3.407 69 H GLU 9 H GLU 9 -0.472 -4.958 5.590 70 HA GLU 9 HA GLU 9 -0.783 -2.371 4.614 71 HB2 GLU 9 1HB GLU 9 -2.502 -4.052 5.628 72 HB3 GLU 9 2HB GLU 9 -2.120 -3.269 7.153 73 HG2 GLU 9 1HG GLU 9 -2.773 -1.448 4.941 74 HG3 GLU 9 2HG GLU 9 -4.088 -2.490 5.476 75 H GLU 10 H GLU 10 0.403 -3.509 7.725 76 HA GLU 10 HA GLU 10 0.921 -1.060 8.968 77 HB2 GLU 10 1HB GLU 10 1.156 -2.794 10.431 78 HB3 GLU 10 2HB GLU 10 1.876 -3.858 9.233 79 HG2 GLU 10 1HG GLU 10 3.996 -2.677 9.439 80 HG3 GLU 10 2HG GLU 10 3.279 -1.589 10.638 81 H LYS 11 H LYS 11 3.079 -3.089 7.001 82 HA LYS 11 HA LYS 11 5.288 -1.326 7.329 83 HB2 LYS 11 1HB LYS 11 4.794 -3.938 6.308 84 HB3 LYS 11 2HB LYS 11 5.772 -3.037 5.150 85 HG2 LYS 11 1HG LYS 11 7.286 -4.121 6.584 86 HG3 LYS 11 2HG LYS 11 7.272 -2.437 7.091 87 HD2 LYS 11 1HD LYS 11 5.665 -3.045 8.889 88 HD3 LYS 11 2HD LYS 11 5.828 -4.735 8.411 89 HE2 LYS 11 1HE LYS 11 7.245 -4.133 10.339 90 HE3 LYS 11 2HE LYS 11 8.175 -4.710 8.956 91 HZ1 LYS 11 3HZ LYS 11 7.752 -1.841 9.621 92 HZ2 LYS 11 1HZ LYS 11 8.755 -2.467 8.401 93 HZ3 LYS 11 2HZ LYS 11 9.139 -2.730 10.029 94 H LEU 12 H LEU 12 2.878 -1.769 4.799 95 HA LEU 12 HA LEU 12 4.173 -0.060 2.919 96 HB2 LEU 12 1HB LEU 12 2.382 -1.719 2.361 97 HB3 LEU 12 2HB LEU 12 1.222 -0.663 3.142 98 HG LEU 12 HG LEU 12 1.693 1.089 1.487 99 HD11 LEU 12 1HD1 LEU 12 4.012 0.546 0.998 100 HD12 LEU 12 2HD1 LEU 12 3.056 0.572 -0.483 101 HD13 LEU 12 3HD1 LEU 12 3.514 -0.969 0.244 102 HD21 LEU 12 3HD2 LEU 12 -0.115 -0.464 1.048 103 HD22 LEU 12 1HD2 LEU 12 1.011 -1.599 0.302 104 HD23 LEU 12 2HD2 LEU 12 0.696 -0.041 -0.459 105 H LYS 13 H LYS 13 1.833 0.377 5.490 106 HA LYS 13 HA LYS 13 1.278 3.096 5.265 107 HB2 LYS 13 1HB LYS 13 0.103 1.816 6.881 108 HB3 LYS 13 2HB LYS 13 1.587 1.240 7.618 109 HG2 LYS 13 1HG LYS 13 1.988 3.695 8.249 110 HG3 LYS 13 2HG LYS 13 0.273 3.912 7.883 111 HD2 LYS 13 1HD LYS 13 -0.314 2.182 9.481 112 HD3 LYS 13 2HD LYS 13 1.394 1.893 9.819 113 HE2 LYS 13 1HE LYS 13 0.559 3.250 11.582 114 HE3 LYS 13 2HE LYS 13 1.555 4.285 10.560 115 HZ1 LYS 13 3HZ LYS 13 -1.416 4.120 10.519 116 HZ2 LYS 13 1HZ LYS 13 -0.480 5.090 9.492 117 HZ3 LYS 13 2HZ LYS 13 -0.499 5.393 11.160 118 H GLU 14 H GLU 14 3.924 1.453 6.959 119 HA GLU 14 HA GLU 14 5.234 3.814 7.808 120 HB2 GLU 14 1HB GLU 14 6.398 1.058 7.402 121 HB3 GLU 14 2HB GLU 14 7.127 2.362 8.327 122 HG2 GLU 14 1HG GLU 14 5.125 2.301 9.830 123 HG3 GLU 14 2HG GLU 14 4.615 0.848 8.969 124 H PHE 15 H PHE 15 4.998 2.406 4.748 125 HA PHE 15 HA PHE 15 7.500 3.577 3.832 126 HB2 PHE 15 1HB PHE 15 5.604 1.596 2.761 127 HB3 PHE 15 2HB PHE 15 6.321 2.672 1.567 128 HD1 PHE 15 HD1 PHE 15 7.894 1.419 4.675 129 HD2 PHE 15 HD2 PHE 15 7.776 1.181 0.418 130 HE1 PHE 15 HE1 PHE 15 9.954 0.075 4.693 131 HE2 PHE 15 HE2 PHE 15 9.838 -0.150 0.438 132 HZ PHE 15 HZ PHE 15 10.930 -0.709 2.571 133 H VAL 16 H VAL 16 4.064 3.764 2.893 134 HA VAL 16 HA VAL 16 4.474 5.921 1.116 135 HB VAL 16 HB VAL 16 1.869 5.216 2.466 136 HG11 VAL 16 1HG1 VAL 16 0.888 6.057 0.377 137 HG12 VAL 16 2HG1 VAL 16 2.500 6.496 -0.185 138 HG13 VAL 16 3HG1 VAL 16 1.812 7.292 1.229 139 HG21 VAL 16 3HG2 VAL 16 3.125 3.981 0.021 140 HG22 VAL 16 1HG2 VAL 16 1.465 3.714 0.554 141 HG23 VAL 16 2HG2 VAL 16 2.813 3.182 1.561 142 H LYS 17 H LYS 17 3.661 5.788 4.537 143 HA LYS 17 HA LYS 17 3.164 8.672 4.551 144 HB2 LYS 17 1HB LYS 17 2.720 6.639 6.734 145 HB3 LYS 17 2HB LYS 17 2.251 8.332 6.787 146 HG2 LYS 17 1HG LYS 17 1.182 6.277 4.861 147 HG3 LYS 17 2HG LYS 17 0.347 6.880 6.291 148 HD2 LYS 17 1HD LYS 17 1.186 8.525 3.899 149 HD3 LYS 17 2HD LYS 17 -0.453 7.981 4.253 150 HE2 LYS 17 1HE LYS 17 -0.553 9.346 6.217 151 HE3 LYS 17 2HE LYS 17 1.162 9.741 6.091 152 HZ1 LYS 17 3HZ LYS 17 -0.902 10.511 4.095 153 HZ2 LYS 17 1HZ LYS 17 0.735 10.948 4.072 154 HZ3 LYS 17 2HZ LYS 17 -0.282 11.538 5.294 155 H ARG 18 H ARG 18 5.651 6.461 5.342 156 HA ARG 18 HA ARG 18 6.907 8.515 7.044 157 HB2 ARG 18 1HB ARG 18 7.186 5.524 7.399 158 HB3 ARG 18 2HB ARG 18 7.952 6.767 8.376 159 HG2 ARG 18 1HG ARG 18 5.775 7.513 9.173 160 HG3 ARG 18 2HG ARG 18 4.984 6.282 8.184 161 HD2 ARG 18 1HD ARG 18 5.194 5.562 10.516 162 HD3 ARG 18 2HD ARG 18 6.132 4.529 9.438 163 HE ARG 18 HE ARG 18 7.589 6.731 10.644 164 HH11 ARG 18 1HH1 ARG 18 6.696 3.343 10.899 165 HH12 ARG 18 2HH1 ARG 18 8.046 2.938 11.902 166 HH21 ARG 18 1HH2 ARG 18 9.357 6.185 11.973 167 HH22 ARG 18 2HH2 ARG 18 9.558 4.547 12.525 168 H HIS 19 H HIS 19 7.523 5.774 4.872 169 HA HIS 19 HA HIS 19 10.362 6.241 4.912 170 HB2 HIS 19 1HB HIS 19 8.742 4.040 4.440 171 HB3 HIS 19 2HB HIS 19 9.435 4.402 2.864 172 HD1 HIS 19 HD1 HIS 19 10.452 3.419 6.369 173 HD2 HIS 19 HD2 HIS 19 12.098 3.792 2.565 174 HE1 HIS 19 HE1 HIS 19 12.715 2.317 6.468 175 H GLN 20 H GLN 20 9.623 8.527 4.028 176 HA GLN 20 HA GLN 20 10.058 10.067 2.429 177 HB2 GLN 20 1HB GLN 20 11.439 7.706 1.176 178 HB3 GLN 20 2HB GLN 20 11.542 9.337 0.529 179 HG2 GLN 20 1HG GLN 20 12.464 8.433 3.251 180 HG3 GLN 20 2HG GLN 20 13.493 8.804 1.868 181 HE21 GLN 20 1HE2 GLN 20 11.514 10.088 4.395 182 HE22 GLN 20 2HE2 GLN 20 11.990 11.743 4.219 183 H ARG 21 H ARG 21 7.598 8.413 2.273 184 HA ARG 21 HA ARG 21 5.675 8.658 1.087 185 HB2 ARG 21 1HB ARG 21 6.677 10.861 0.389 186 HB3 ARG 21 2HB ARG 21 7.294 10.060 -1.043 187 HG2 ARG 21 1HG ARG 21 4.370 10.064 -0.392 188 HG3 ARG 21 2HG ARG 21 5.135 11.407 -1.241 189 HD2 ARG 21 1HD ARG 21 5.960 9.769 -2.933 190 HD3 ARG 21 2HD ARG 21 5.001 8.530 -2.124 191 HE ARG 21 HE ARG 21 3.377 10.759 -2.772 192 HH11 ARG 21 1HH1 ARG 21 4.940 7.954 -4.173 193 HH12 ARG 21 2HH1 ARG 21 3.898 7.906 -5.568 194 HH21 ARG 21 1HH2 ARG 21 1.982 10.687 -4.617 195 HH22 ARG 21 2HH2 ARG 21 2.204 9.434 -5.797 196 H ILE 22 H ILE 22 8.468 7.791 -0.873 197 HA ILE 22 HA ILE 22 8.935 6.224 -2.387 198 HB ILE 22 HB ILE 22 8.072 4.704 -0.502 199 HG12 ILE 22 1HG1 ILE 22 8.079 3.714 -3.357 200 HG13 ILE 22 2HG1 ILE 22 9.508 3.987 -2.368 201 HG21 ILE 22 1HG2 ILE 22 5.803 4.357 -2.455 202 HG22 ILE 22 2HG2 ILE 22 5.679 4.992 -0.815 203 HG23 ILE 22 3HG2 ILE 22 6.134 3.309 -1.077 204 HD11 ILE 22 3HD1 ILE 22 8.785 2.235 -0.838 205 HD12 ILE 22 1HD1 ILE 22 8.939 1.629 -2.487 206 HD13 ILE 22 2HD1 ILE 22 7.344 1.971 -1.818 207 H THR 23 H THR 23 8.641 5.860 -4.481 208 HA THR 23 HA THR 23 6.369 7.106 -5.735 209 HB THR 23 HB THR 23 7.706 6.108 -7.827 210 HG1 THR 23 HG1 THR 23 9.401 5.071 -7.006 211 HG21 THR 23 3HG2 THR 23 8.611 8.482 -6.192 212 HG22 THR 23 1HG2 THR 23 7.298 8.481 -7.370 213 HG23 THR 23 2HG2 THR 23 8.959 8.208 -7.900 214 H GLN 24 H GLN 24 5.099 6.071 -7.411 215 HA GLN 24 HA GLN 24 3.740 3.866 -6.383 216 HB2 GLN 24 1HB GLN 24 2.718 5.536 -7.850 217 HB3 GLN 24 2HB GLN 24 3.691 4.961 -9.196 218 HG2 GLN 24 1HG GLN 24 2.583 2.754 -8.989 219 HG3 GLN 24 2HG GLN 24 1.545 3.436 -7.738 220 HE21 GLN 24 1HE2 GLN 24 2.311 3.382 -11.117 221 HE22 GLN 24 2HE2 GLN 24 0.899 4.227 -11.659 222 H GLU 25 H GLU 25 6.195 4.006 -8.940 223 HA GLU 25 HA GLU 25 5.819 1.425 -9.962 224 HB2 GLU 25 1HB GLU 25 7.223 3.249 -10.972 225 HB3 GLU 25 2HB GLU 25 8.455 2.880 -9.773 226 HG2 GLU 25 1HG GLU 25 8.687 0.639 -10.654 227 HG3 GLU 25 2HG GLU 25 7.387 0.934 -11.805 228 H GLU 26 H GLU 26 8.262 2.515 -7.599 229 HA GLU 26 HA GLU 26 9.168 -0.040 -6.873 230 HB2 GLU 26 1HB GLU 26 9.165 2.579 -5.374 231 HB3 GLU 26 2HB GLU 26 9.921 1.127 -4.744 232 HG2 GLU 26 1HG GLU 26 11.559 2.582 -5.761 233 HG3 GLU 26 2HG GLU 26 11.430 1.074 -6.660 234 H LEU 27 H LEU 27 6.529 1.946 -5.709 235 HA LEU 27 HA LEU 27 5.897 0.560 -3.368 236 HB2 LEU 27 1HB LEU 27 5.035 2.802 -4.159 237 HB3 LEU 27 2HB LEU 27 3.952 1.933 -5.221 238 HG LEU 27 HG LEU 27 3.874 1.437 -2.257 239 HD11 LEU 27 1HD1 LEU 27 3.700 3.824 -2.463 240 HD12 LEU 27 2HD1 LEU 27 2.092 3.166 -2.156 241 HD13 LEU 27 3HD1 LEU 27 2.546 3.669 -3.784 242 HD21 LEU 27 3HD2 LEU 27 1.536 0.885 -2.746 243 HD22 LEU 27 1HD2 LEU 27 2.629 -0.083 -3.740 244 HD23 LEU 27 2HD2 LEU 27 1.786 1.297 -4.441 245 H HIS 28 H HIS 28 4.685 0.132 -6.694 246 HA HIS 28 HA HIS 28 2.873 -1.936 -6.020 247 HB2 HIS 28 1HB HIS 28 2.829 -0.524 -8.133 248 HB3 HIS 28 2HB HIS 28 4.126 -1.552 -8.739 249 HD1 HIS 28 HD1 HIS 28 3.312 -4.318 -8.289 250 HD2 HIS 28 HD2 HIS 28 0.487 -1.382 -9.095 251 HE1 HIS 28 HE1 HIS 28 1.232 -5.530 -9.018 252 H GLN 29 H GLN 29 6.222 -1.971 -7.205 253 HA GLN 29 HA GLN 29 6.416 -4.770 -7.469 254 HB2 GLN 29 1HB GLN 29 8.083 -3.226 -8.422 255 HB3 GLN 29 2HB GLN 29 8.606 -2.787 -6.802 256 HG2 GLN 29 1HG GLN 29 8.699 -5.642 -7.680 257 HG3 GLN 29 2HG GLN 29 9.958 -4.519 -8.187 258 HE21 GLN 29 1HE2 GLN 29 10.006 -6.891 -6.386 259 HE22 GLN 29 2HE2 GLN 29 10.704 -6.306 -4.905 260 H TYR 30 H TYR 30 7.071 -2.595 -4.767 261 HA TYR 30 HA TYR 30 7.947 -4.568 -2.955 262 HB2 TYR 30 1HB TYR 30 8.314 -2.110 -2.714 263 HB3 TYR 30 2HB TYR 30 6.606 -1.931 -2.332 264 HD1 TYR 30 HD1 TYR 30 9.371 -4.187 -1.205 265 HD2 TYR 30 HD2 TYR 30 6.219 -1.555 -0.093 266 HE1 TYR 30 HE1 TYR 30 9.873 -4.601 1.166 267 HE2 TYR 30 HE2 TYR 30 6.710 -1.966 2.282 268 HH TYR 30 HH TYR 30 7.778 -3.694 3.674 269 H ALA 31 H ALA 31 4.779 -3.589 -4.015 270 HA ALA 31 HA ALA 31 3.312 -4.661 -1.819 271 HB1 ALA 31 3HB ALA 31 1.375 -4.513 -3.337 272 HB2 ALA 31 1HB ALA 31 2.465 -4.137 -4.671 273 HB3 ALA 31 2HB ALA 31 2.315 -3.021 -3.312 274 H GLN 32 H GLN 32 4.284 -5.871 -4.985 275 HA GLN 32 HA GLN 32 3.085 -8.450 -4.589 276 HB2 GLN 32 1HB GLN 32 5.073 -7.469 -6.647 277 HB3 GLN 32 2HB GLN 32 4.278 -9.038 -6.685 278 HG2 GLN 32 1HG GLN 32 2.742 -6.458 -6.663 279 HG3 GLN 32 2HG GLN 32 3.311 -7.206 -8.151 280 HE21 GLN 32 1HE2 GLN 32 2.313 -9.189 -5.483 281 HE22 GLN 32 2HE2 GLN 32 0.825 -9.726 -6.171 282 H ARG 33 H ARG 33 6.048 -6.939 -3.811 283 HA ARG 33 HA ARG 33 7.642 -9.254 -3.426 284 HB2 ARG 33 1HB ARG 33 8.653 -7.063 -3.671 285 HB3 ARG 33 2HB ARG 33 7.793 -6.465 -2.262 286 HG2 ARG 33 1HG ARG 33 10.061 -6.835 -1.654 287 HG3 ARG 33 2HG ARG 33 9.080 -8.073 -0.872 288 HD2 ARG 33 1HD ARG 33 9.795 -9.734 -2.394 289 HD3 ARG 33 2HD ARG 33 10.491 -8.535 -3.485 290 HE ARG 33 HE ARG 33 11.704 -8.462 -0.901 291 HH11 ARG 33 1HH1 ARG 33 11.669 -10.192 -3.945 292 HH12 ARG 33 2HH1 ARG 33 13.307 -10.749 -3.788 293 HH21 ARG 33 1HH2 ARG 33 13.862 -9.156 -0.714 294 HH22 ARG 33 2HH2 ARG 33 14.571 -10.126 -1.967 295 H LEU 34 H LEU 34 5.227 -7.614 -1.525 296 HA LEU 34 HA LEU 34 5.915 -9.214 0.823 297 HB2 LEU 34 1HB LEU 34 4.091 -6.841 0.503 298 HB3 LEU 34 2HB LEU 34 4.303 -7.723 2.002 299 HG LEU 34 HG LEU 34 6.452 -6.192 0.534 300 HD11 LEU 34 1HD1 LEU 34 6.378 -4.716 2.487 301 HD12 LEU 34 2HD1 LEU 34 5.013 -5.636 3.122 302 HD13 LEU 34 3HD1 LEU 34 4.846 -4.734 1.614 303 HD21 LEU 34 3HD2 LEU 34 7.847 -6.670 2.485 304 HD22 LEU 34 1HD2 LEU 34 7.365 -8.153 1.664 305 HD23 LEU 34 2HD2 LEU 34 6.566 -7.675 3.160 306 H GLY 35 H GLY 35 3.364 -8.824 -1.567 307 HA2 GLY 35 1HA GLY 35 2.180 -10.997 -1.943 308 HA3 GLY 35 2HA GLY 35 1.960 -11.045 -0.203 309 H LEU 36 H LEU 36 1.510 -8.252 -2.364 310 HA LEU 36 HA LEU 36 -1.265 -8.151 -1.401 311 HB2 LEU 36 1HB LEU 36 0.279 -5.965 -2.788 312 HB3 LEU 36 2HB LEU 36 -1.281 -5.823 -1.998 313 HG LEU 36 HG LEU 36 1.381 -6.289 -0.660 314 HD11 LEU 36 1HD1 LEU 36 0.894 -4.129 0.396 315 HD12 LEU 36 2HD1 LEU 36 -0.583 -4.000 -0.558 316 HD13 LEU 36 3HD1 LEU 36 0.988 -3.993 -1.359 317 HD21 LEU 36 3HD2 LEU 36 -0.364 -7.600 0.437 318 HD22 LEU 36 1HD2 LEU 36 -1.374 -6.158 0.561 319 HD23 LEU 36 2HD2 LEU 36 0.150 -6.247 1.443 320 H ASN 37 H ASN 37 -2.935 -8.325 -2.729 321 HA ASN 37 HA ASN 37 -2.498 -8.547 -5.592 322 HB2 ASN 37 1HB ASN 37 -5.035 -8.927 -5.604 323 HB3 ASN 37 2HB ASN 37 -4.042 -10.161 -4.845 324 HD21 ASN 37 1HD2 ASN 37 -4.725 -7.106 -3.273 325 HD22 ASN 37 2HD2 ASN 37 -5.765 -7.762 -2.052 326 H GLU 38 H GLU 38 -3.778 -7.233 -7.094 327 HA GLU 38 HA GLU 38 -3.164 -4.549 -6.654 328 HB2 GLU 38 1HB GLU 38 -4.905 -5.838 -8.740 329 HB3 GLU 38 2HB GLU 38 -4.432 -4.142 -8.775 330 HG2 GLU 38 1HG GLU 38 -2.121 -4.726 -8.956 331 HG3 GLU 38 2HG GLU 38 -2.490 -6.433 -8.710 332 H GLU 39 H GLU 39 -6.131 -6.255 -6.034 333 HA GLU 39 HA GLU 39 -7.956 -4.177 -5.800 334 HB2 GLU 39 1HB GLU 39 -8.665 -6.449 -5.543 335 HB3 GLU 39 2HB GLU 39 -7.575 -6.690 -4.184 336 HG2 GLU 39 1HG GLU 39 -9.783 -6.512 -3.332 337 HG3 GLU 39 2HG GLU 39 -8.909 -5.045 -2.892 338 H ALA 40 H ALA 40 -5.770 -5.470 -3.335 339 HA ALA 40 HA ALA 40 -6.541 -3.641 -1.314 340 HB1 ALA 40 3HB ALA 40 -4.023 -5.287 -1.495 341 HB2 ALA 40 1HB ALA 40 -5.561 -5.845 -0.838 342 HB3 ALA 40 2HB ALA 40 -4.688 -4.537 -0.043 343 H ILE 41 H ILE 41 -4.294 -3.514 -3.923 344 HA ILE 41 HA ILE 41 -2.610 -1.477 -2.878 345 HB ILE 41 HB ILE 41 -3.097 -2.214 -5.768 346 HG12 ILE 41 1HG1 ILE 41 -1.037 -3.214 -3.787 347 HG13 ILE 41 2HG1 ILE 41 -2.378 -4.148 -4.449 348 HG21 ILE 41 1HG2 ILE 41 -2.034 -0.046 -5.552 349 HG22 ILE 41 2HG2 ILE 41 -0.868 -1.230 -6.143 350 HG23 ILE 41 3HG2 ILE 41 -0.828 -0.720 -4.455 351 HD11 ILE 41 3HD1 ILE 41 -1.373 -3.937 -6.687 352 HD12 ILE 41 1HD1 ILE 41 -0.315 -4.751 -5.533 353 HD13 ILE 41 2HD1 ILE 41 -0.015 -3.070 -5.971 354 H ARG 42 H ARG 42 -5.400 -1.473 -5.088 355 HA ARG 42 HA ARG 42 -5.485 1.320 -5.444 356 HB2 ARG 42 1HB ARG 42 -6.661 -0.215 -6.937 357 HB3 ARG 42 2HB ARG 42 -7.716 -0.653 -5.612 358 HG2 ARG 42 1HG ARG 42 -8.530 1.629 -5.488 359 HG3 ARG 42 2HG ARG 42 -7.516 2.062 -6.862 360 HD2 ARG 42 1HD ARG 42 -9.755 0.042 -6.862 361 HD3 ARG 42 2HD ARG 42 -9.832 1.669 -7.530 362 HE ARG 42 HE ARG 42 -8.324 -0.595 -8.633 363 HH11 ARG 42 1HH1 ARG 42 -9.352 2.747 -8.903 364 HH12 ARG 42 2HH1 ARG 42 -9.127 2.802 -10.629 365 HH21 ARG 42 1HH2 ARG 42 -8.001 -0.510 -10.888 366 HH22 ARG 42 2HH2 ARG 42 -8.350 0.961 -11.749 367 H GLN 43 H GLN 43 -6.910 -0.837 -3.080 368 HA GLN 43 HA GLN 43 -8.590 0.924 -1.733 369 HB2 GLN 43 1HB GLN 43 -8.655 -1.425 -1.223 370 HB3 GLN 43 2HB GLN 43 -6.970 -1.419 -0.709 371 HG2 GLN 43 1HG GLN 43 -7.565 0.021 1.186 372 HG3 GLN 43 2HG GLN 43 -9.252 -0.022 0.679 373 HE21 GLN 43 1HE2 GLN 43 -7.234 -2.821 0.371 374 HE22 GLN 43 2HE2 GLN 43 -7.972 -3.739 1.633 375 H PHE 44 H PHE 44 -5.106 0.496 -1.509 376 HA PHE 44 HA PHE 44 -4.815 1.932 0.930 377 HB2 PHE 44 1HB PHE 44 -3.223 0.225 -0.386 378 HB3 PHE 44 2HB PHE 44 -2.525 1.742 -0.950 379 HD1 PHE 44 HD1 PHE 44 -3.185 -0.367 1.972 380 HD2 PHE 44 HD2 PHE 44 -1.301 3.176 0.546 381 HE1 PHE 44 HE1 PHE 44 -1.936 -0.189 4.081 382 HE2 PHE 44 HE2 PHE 44 -0.045 3.358 2.656 383 HZ PHE 44 HZ PHE 44 -0.363 1.670 4.424 384 H PHE 45 H PHE 45 -4.948 2.844 -2.418 385 HA PHE 45 HA PHE 45 -4.047 5.553 -1.814 386 HB2 PHE 45 1HB PHE 45 -4.829 4.217 -4.408 387 HB3 PHE 45 2HB PHE 45 -4.447 5.929 -4.285 388 HD1 PHE 45 HD1 PHE 45 -2.144 6.577 -3.451 389 HD2 PHE 45 HD2 PHE 45 -3.148 2.633 -4.680 390 HE1 PHE 45 HE1 PHE 45 0.241 6.079 -3.780 391 HE2 PHE 45 HE2 PHE 45 -0.762 2.126 -5.008 392 HZ PHE 45 HZ PHE 45 0.935 3.849 -4.559 393 H GLU 46 H GLU 46 -6.852 4.207 -3.567 394 HA GLU 46 HA GLU 46 -8.210 6.719 -3.389 395 HB2 GLU 46 1HB GLU 46 -9.085 4.034 -4.447 396 HB3 GLU 46 2HB GLU 46 -10.065 5.492 -4.538 397 HG2 GLU 46 1HG GLU 46 -8.298 6.578 -5.851 398 HG3 GLU 46 2HG GLU 46 -7.360 5.086 -5.795 399 H GLU 47 H GLU 47 -8.865 3.483 -2.031 400 HA GLU 47 HA GLU 47 -11.145 4.501 -0.572 401 HB2 GLU 47 1HB GLU 47 -10.868 2.143 -1.609 402 HB3 GLU 47 2HB GLU 47 -9.925 1.783 -0.169 403 HG2 GLU 47 1HG GLU 47 -11.869 2.443 1.213 404 HG3 GLU 47 2HG GLU 47 -12.800 2.663 -0.266 405 H PHE 48 H PHE 48 -8.266 5.304 -0.076 406 HA PHE 48 HA PHE 48 -7.856 4.549 2.696 407 HB2 PHE 48 1HB PHE 48 -5.985 4.739 1.060 408 HB3 PHE 48 2HB PHE 48 -6.315 6.459 0.940 409 HD1 PHE 48 HD1 PHE 48 -5.685 3.915 3.599 410 HD2 PHE 48 HD2 PHE 48 -4.962 7.847 2.140 411 HE1 PHE 48 HE1 PHE 48 -4.132 4.317 5.461 412 HE2 PHE 48 HE2 PHE 48 -3.410 8.257 4.001 413 HZ PHE 48 HZ PHE 48 -2.992 6.491 5.666 414 H GLU 49 H GLU 49 -7.898 7.687 1.001 415 HA GLU 49 HA GLU 49 -9.827 8.730 2.896 416 HB2 GLU 49 1HB GLU 49 -8.478 10.667 3.529 417 HB3 GLU 49 2HB GLU 49 -7.734 9.163 4.050 418 HG2 GLU 49 1HG GLU 49 -6.131 9.277 2.262 419 HG3 GLU 49 2HG GLU 49 -6.932 10.695 1.583 420 H GLN 50 H GLN 50 -8.047 9.040 -0.082 421 HA GLN 50 HA GLN 50 -9.347 11.450 -0.942 422 HB2 GLN 50 1HB GLN 50 -7.718 9.436 -2.501 423 HB3 GLN 50 2HB GLN 50 -8.201 11.026 -3.072 424 HG2 GLN 50 1HG GLN 50 -6.860 12.058 -1.295 425 HG3 GLN 50 2HG GLN 50 -6.353 10.453 -0.765 426 HE21 GLN 50 1HE2 GLN 50 -6.843 11.238 -4.098 427 HE22 GLN 50 2HE2 GLN 50 -5.177 11.198 -4.577 428 H ARG 51 H ARG 51 -11.137 9.521 -0.150 429 HA ARG 51 HA ARG 51 -12.120 7.987 -2.382 430 HB2 ARG 51 1HB ARG 51 -13.677 8.424 0.140 431 HB3 ARG 51 2HB ARG 51 -13.592 6.993 -0.876 432 HG2 ARG 51 1HG ARG 51 -11.260 6.646 -0.092 433 HG3 ARG 51 2HG ARG 51 -11.482 7.995 1.023 434 HD2 ARG 51 1HD ARG 51 -13.531 6.716 1.858 435 HD3 ARG 51 2HD ARG 51 -12.852 5.337 0.997 436 HE ARG 51 HE ARG 51 -10.797 6.198 2.538 437 HH11 ARG 51 1HH1 ARG 51 -14.132 5.414 3.211 438 HH12 ARG 51 2HH1 ARG 51 -13.795 4.751 4.783 439 HH21 ARG 51 1HH2 ARG 51 -10.346 5.371 4.625 440 HH22 ARG 51 2HH2 ARG 51 -11.646 4.740 5.591 441 H LYS 52 H LYS 52 -12.811 9.400 -3.964 442 HA LYS 52 HA LYS 52 -15.161 11.032 -3.268 443 HB2 LYS 52 1HB LYS 52 -12.941 11.789 -5.183 444 HB3 LYS 52 2HB LYS 52 -14.433 12.691 -4.971 445 HG2 LYS 52 1HG LYS 52 -13.818 13.131 -2.634 446 HG3 LYS 52 2HG LYS 52 -12.306 12.255 -2.886 447 HD2 LYS 52 1HD LYS 52 -11.661 13.852 -4.612 448 HD3 LYS 52 2HD LYS 52 -13.179 14.723 -4.389 449 HE2 LYS 52 1HE LYS 52 -11.365 15.850 -3.228 450 HE3 LYS 52 2HE LYS 52 -12.545 15.224 -2.078 451 HZ1 LYS 52 3HZ LYS 52 -10.226 14.829 -1.408 452 HZ2 LYS 52 1HZ LYS 52 -9.998 13.861 -2.780 453 HZ3 LYS 52 2HZ LYS 52 -11.101 13.391 -1.577 Start of MODEL 43 1 H1 MET 1 1H MET 1 -14.366 -10.789 2.129 2 H2 MET 1 2H MET 1 -12.788 -10.379 1.658 3 H3 MET 1 3H MET 1 -13.645 -9.369 2.718 4 HA MET 1 HA MET 1 -13.664 -11.095 4.396 5 HB2 MET 1 1HB MET 1 -13.561 -13.016 2.858 6 HB3 MET 1 2HB MET 1 -11.919 -12.575 2.409 7 HG2 MET 1 1HG MET 1 -11.224 -12.930 4.751 8 HG3 MET 1 2HG MET 1 -12.859 -13.476 5.121 9 HE1 MET 1 3HE MET 1 -10.749 -16.792 5.210 10 HE2 MET 1 1HE MET 1 -11.909 -15.796 6.087 11 HE3 MET 1 2HE MET 1 -10.286 -15.186 5.769 12 H LYS 2 H LYS 2 -10.741 -10.807 2.364 13 HA LYS 2 HA LYS 2 -9.553 -9.108 4.434 14 HB2 LYS 2 1HB LYS 2 -7.392 -10.312 4.192 15 HB3 LYS 2 2HB LYS 2 -8.658 -11.303 4.906 16 HG2 LYS 2 1HG LYS 2 -9.019 -12.399 2.760 17 HG3 LYS 2 2HG LYS 2 -7.765 -11.396 2.029 18 HD2 LYS 2 1HD LYS 2 -6.128 -12.343 3.622 19 HD3 LYS 2 2HD LYS 2 -7.390 -13.400 4.257 20 HE2 LYS 2 1HE LYS 2 -5.983 -14.580 2.653 21 HE3 LYS 2 2HE LYS 2 -7.636 -14.435 2.057 22 HZ1 LYS 2 3HZ LYS 2 -5.397 -12.646 1.275 23 HZ2 LYS 2 1HZ LYS 2 -6.964 -12.640 0.632 24 HZ3 LYS 2 2HZ LYS 2 -5.941 -13.962 0.354 25 H GLN 3 H GLN 3 -7.494 -8.046 3.545 26 HA GLN 3 HA GLN 3 -7.965 -7.451 0.687 27 HB2 GLN 3 1HB GLN 3 -7.277 -5.450 2.846 28 HB3 GLN 3 2HB GLN 3 -7.447 -5.092 1.134 29 HG2 GLN 3 1HG GLN 3 -9.819 -5.856 1.292 30 HG3 GLN 3 2HG GLN 3 -9.601 -5.974 3.037 31 HE21 GLN 3 1HE2 GLN 3 -9.338 -4.083 4.250 32 HE22 GLN 3 2HE2 GLN 3 -9.776 -2.530 3.609 33 H TRP 4 H TRP 4 -5.632 -6.883 3.305 34 HA TRP 4 HA TRP 4 -3.450 -7.213 1.355 35 HB2 TRP 4 1HB TRP 4 -2.943 -6.257 4.144 36 HB3 TRP 4 2HB TRP 4 -2.144 -5.798 2.649 37 HD1 TRP 4 HD1 TRP 4 -5.610 -5.214 4.301 38 HE1 TRP 4 HE1 TRP 4 -6.325 -2.791 3.805 39 HE3 TRP 4 HE3 TRP 4 -1.649 -3.768 1.423 40 HZ2 TRP 4 HZ2 TRP 4 -5.357 -0.582 2.377 41 HZ3 TRP 4 HZ3 TRP 4 -1.627 -1.481 0.532 42 HH2 TRP 4 HH2 TRP 4 -3.439 0.076 1.002 43 H SER 5 H SER 5 -1.453 -8.315 2.386 44 HA SER 5 HA SER 5 -2.098 -10.505 4.098 45 HB2 SER 5 1HB SER 5 -0.064 -10.530 2.658 46 HB3 SER 5 2HB SER 5 0.599 -9.204 3.608 47 HG SER 5 HG SER 5 1.447 -11.088 4.422 48 H GLU 6 H GLU 6 -2.456 -10.371 6.233 49 HA GLU 6 HA GLU 6 -3.080 -8.271 7.690 50 HB2 GLU 6 1HB GLU 6 -3.022 -10.700 8.405 51 HB3 GLU 6 2HB GLU 6 -1.375 -10.409 8.948 52 HG2 GLU 6 1HG GLU 6 -2.734 -10.189 10.850 53 HG3 GLU 6 2HG GLU 6 -2.301 -8.548 10.370 54 H ASN 7 H ASN 7 0.337 -9.377 7.653 55 HA ASN 7 HA ASN 7 1.169 -7.225 9.337 56 HB2 ASN 7 1HB ASN 7 2.445 -9.537 8.055 57 HB3 ASN 7 2HB ASN 7 3.500 -8.148 8.299 58 HD21 ASN 7 1HD2 ASN 7 1.595 -10.611 9.836 59 HD22 ASN 7 2HD2 ASN 7 2.223 -10.369 11.437 60 H VAL 8 H VAL 8 0.633 -7.439 6.002 61 HA VAL 8 HA VAL 8 2.702 -5.640 5.170 62 HB VAL 8 HB VAL 8 0.238 -6.659 3.753 63 HG11 VAL 8 1HG1 VAL 8 1.262 -5.736 1.710 64 HG12 VAL 8 2HG1 VAL 8 2.491 -4.952 2.701 65 HG13 VAL 8 3HG1 VAL 8 0.797 -4.489 2.860 66 HG21 VAL 8 3HG2 VAL 8 1.957 -8.337 4.208 67 HG22 VAL 8 1HG2 VAL 8 3.175 -7.309 3.453 68 HG23 VAL 8 2HG2 VAL 8 1.864 -7.984 2.484 69 H GLU 9 H GLU 9 -0.707 -5.347 6.007 70 HA GLU 9 HA GLU 9 -1.259 -2.777 5.134 71 HB2 GLU 9 1HB GLU 9 -2.888 -4.354 6.155 72 HB3 GLU 9 2HB GLU 9 -2.164 -4.062 7.726 73 HG2 GLU 9 1HG GLU 9 -3.263 -1.785 6.138 74 HG3 GLU 9 2HG GLU 9 -4.346 -2.838 7.042 75 H GLU 10 H GLU 10 0.283 -3.854 8.101 76 HA GLU 10 HA GLU 10 0.746 -1.392 9.316 77 HB2 GLU 10 1HB GLU 10 1.082 -3.303 10.630 78 HB3 GLU 10 2HB GLU 10 2.103 -4.071 9.425 79 HG2 GLU 10 1HG GLU 10 3.902 -2.555 9.912 80 HG3 GLU 10 2HG GLU 10 2.879 -1.649 11.032 81 H LYS 11 H LYS 11 3.007 -3.316 7.361 82 HA LYS 11 HA LYS 11 5.070 -1.400 7.523 83 HB2 LYS 11 1HB LYS 11 5.520 -3.756 7.258 84 HB3 LYS 11 2HB LYS 11 4.708 -3.768 5.699 85 HG2 LYS 11 1HG LYS 11 6.411 -2.289 4.786 86 HG3 LYS 11 2HG LYS 11 7.220 -2.247 6.351 87 HD2 LYS 11 1HD LYS 11 6.732 -4.785 4.801 88 HD3 LYS 11 2HD LYS 11 8.220 -3.843 4.686 89 HE2 LYS 11 1HE LYS 11 7.109 -4.967 7.253 90 HE3 LYS 11 2HE LYS 11 8.345 -5.759 6.275 91 HZ1 LYS 11 3HZ LYS 11 8.650 -3.015 7.367 92 HZ2 LYS 11 1HZ LYS 11 9.846 -3.995 6.669 93 HZ3 LYS 11 2HZ LYS 11 9.186 -4.401 8.181 94 H LEU 12 H LEU 12 2.637 -2.044 5.014 95 HA LEU 12 HA LEU 12 3.950 -0.565 2.991 96 HB2 LEU 12 1HB LEU 12 2.041 -2.225 2.706 97 HB3 LEU 12 2HB LEU 12 0.972 -0.908 3.141 98 HG LEU 12 HG LEU 12 2.048 0.396 1.235 99 HD11 LEU 12 1HD1 LEU 12 2.973 -1.092 -0.565 100 HD12 LEU 12 2HD1 LEU 12 3.090 -2.362 0.651 101 HD13 LEU 12 3HD1 LEU 12 4.011 -0.870 0.842 102 HD21 LEU 12 3HD2 LEU 12 0.434 -2.065 0.611 103 HD22 LEU 12 1HD2 LEU 12 0.650 -0.685 -0.465 104 HD23 LEU 12 2HD2 LEU 12 -0.198 -0.486 1.069 105 H LYS 13 H LYS 13 1.378 0.351 5.290 106 HA LYS 13 HA LYS 13 1.065 2.973 4.359 107 HB2 LYS 13 1HB LYS 13 -0.235 3.390 6.207 108 HB3 LYS 13 2HB LYS 13 -0.290 1.630 6.173 109 HG2 LYS 13 1HG LYS 13 1.590 1.592 7.728 110 HG3 LYS 13 2HG LYS 13 1.514 3.346 7.842 111 HD2 LYS 13 1HD LYS 13 -0.718 3.231 8.770 112 HD3 LYS 13 2HD LYS 13 -0.748 1.476 8.564 113 HE2 LYS 13 1HE LYS 13 1.270 2.927 10.285 114 HE3 LYS 13 2HE LYS 13 -0.247 2.263 10.904 115 HZ1 LYS 13 3HZ LYS 13 1.823 0.656 9.501 116 HZ2 LYS 13 1HZ LYS 13 0.435 0.075 10.290 117 HZ3 LYS 13 2HZ LYS 13 1.694 0.779 11.187 118 H GLU 14 H GLU 14 3.440 1.474 6.359 119 HA GLU 14 HA GLU 14 4.520 3.965 7.284 120 HB2 GLU 14 1HB GLU 14 5.500 1.129 7.544 121 HB3 GLU 14 2HB GLU 14 6.290 2.516 8.284 122 HG2 GLU 14 1HG GLU 14 4.195 3.005 9.500 123 HG3 GLU 14 2HG GLU 14 3.496 1.534 8.824 124 H PHE 15 H PHE 15 4.896 2.071 4.484 125 HA PHE 15 HA PHE 15 7.517 3.218 3.911 126 HB2 PHE 15 1HB PHE 15 6.611 0.776 3.379 127 HB3 PHE 15 2HB PHE 15 6.036 1.571 1.921 128 HD1 PHE 15 HD1 PHE 15 9.140 1.691 3.976 129 HD2 PHE 15 HD2 PHE 15 7.464 1.195 0.080 130 HE1 PHE 15 HE1 PHE 15 11.397 1.437 3.035 131 HE2 PHE 15 HE2 PHE 15 9.720 0.946 -0.851 132 HZ PHE 15 HZ PHE 15 11.689 1.066 0.620 133 H VAL 16 H VAL 16 4.161 3.525 2.987 134 HA VAL 16 HA VAL 16 4.795 5.353 0.820 135 HB VAL 16 HB VAL 16 2.079 4.568 1.891 136 HG11 VAL 16 1HG1 VAL 16 1.265 5.313 -0.304 137 HG12 VAL 16 2HG1 VAL 16 2.897 5.843 -0.715 138 HG13 VAL 16 3HG1 VAL 16 2.023 6.620 0.605 139 HG21 VAL 16 3HG2 VAL 16 3.621 3.401 -0.424 140 HG22 VAL 16 1HG2 VAL 16 1.969 2.988 0.033 141 HG23 VAL 16 2HG2 VAL 16 3.307 2.605 1.118 142 H LYS 17 H LYS 17 3.546 5.454 4.092 143 HA LYS 17 HA LYS 17 3.158 8.352 3.839 144 HB2 LYS 17 1HB LYS 17 1.112 7.598 4.522 145 HB3 LYS 17 2HB LYS 17 1.784 6.221 5.380 146 HG2 LYS 17 1HG LYS 17 2.252 7.476 7.281 147 HG3 LYS 17 2HG LYS 17 2.117 9.012 6.417 148 HD2 LYS 17 1HD LYS 17 -0.311 8.524 6.086 149 HD3 LYS 17 2HD LYS 17 -0.114 7.092 7.094 150 HE2 LYS 17 1HE LYS 17 0.416 9.933 7.974 151 HE3 LYS 17 2HE LYS 17 -1.040 9.010 8.334 152 HZ1 LYS 17 3HZ LYS 17 0.515 8.975 10.179 153 HZ2 LYS 17 1HZ LYS 17 1.711 8.286 9.192 154 HZ3 LYS 17 2HZ LYS 17 0.298 7.418 9.547 155 H ARG 18 H ARG 18 4.549 5.885 5.966 156 HA ARG 18 HA ARG 18 5.534 7.900 7.789 157 HB2 ARG 18 1HB ARG 18 4.642 5.528 8.343 158 HB3 ARG 18 2HB ARG 18 6.255 4.990 7.909 159 HG2 ARG 18 1HG ARG 18 7.235 6.231 9.674 160 HG3 ARG 18 2HG ARG 18 5.722 7.084 9.996 161 HD2 ARG 18 1HD ARG 18 4.688 4.866 10.549 162 HD3 ARG 18 2HD ARG 18 6.301 4.157 10.430 163 HE ARG 18 HE ARG 18 5.999 6.404 12.259 164 HH11 ARG 18 1HH1 ARG 18 6.211 2.910 11.868 165 HH12 ARG 18 2HH1 ARG 18 6.533 2.640 13.553 166 HH21 ARG 18 1HH2 ARG 18 6.397 6.013 14.465 167 HH22 ARG 18 2HH2 ARG 18 6.619 4.381 15.026 168 H HIS 19 H HIS 19 6.712 6.122 5.092 169 HA HIS 19 HA HIS 19 9.462 7.003 5.575 170 HB2 HIS 19 1HB HIS 19 8.175 5.011 3.773 171 HB3 HIS 19 2HB HIS 19 9.634 5.799 3.188 172 HD1 HIS 19 HD1 HIS 19 8.497 3.722 6.180 173 HD2 HIS 19 HD2 HIS 19 11.926 4.697 4.049 174 HE1 HIS 19 HE1 HIS 19 10.359 2.298 7.135 175 H GLN 20 H GLN 20 7.289 8.817 5.096 176 HA GLN 20 HA GLN 20 6.916 10.777 4.090 177 HB2 GLN 20 1HB GLN 20 9.425 10.096 2.611 178 HB3 GLN 20 2HB GLN 20 8.515 11.563 2.276 179 HG2 GLN 20 1HG GLN 20 8.768 12.166 4.680 180 HG3 GLN 20 2HG GLN 20 9.837 10.775 4.860 181 HE21 GLN 20 1HE2 GLN 20 11.864 10.804 3.860 182 HE22 GLN 20 2HE2 GLN 20 12.583 12.286 3.324 183 H ARG 21 H ARG 21 7.906 8.456 1.597 184 HA ARG 21 HA ARG 21 5.454 8.231 0.321 185 HB2 ARG 21 1HB ARG 21 5.943 10.751 0.037 186 HB3 ARG 21 2HB ARG 21 7.178 10.259 -1.106 187 HG2 ARG 21 1HG ARG 21 5.602 9.430 -2.625 188 HG3 ARG 21 2HG ARG 21 4.317 9.417 -1.412 189 HD2 ARG 21 1HD ARG 21 5.676 11.901 -2.456 190 HD3 ARG 21 2HD ARG 21 4.115 11.297 -3.015 191 HE ARG 21 HE ARG 21 3.447 11.544 -0.565 192 HH11 ARG 21 1HH1 ARG 21 5.802 13.621 -2.132 193 HH12 ARG 21 2HH1 ARG 21 5.459 14.987 -1.108 194 HH21 ARG 21 1HH2 ARG 21 3.009 13.345 0.789 195 HH22 ARG 21 2HH2 ARG 21 3.884 14.833 0.542 196 H ILE 22 H ILE 22 5.781 7.532 -2.084 197 HA ILE 22 HA ILE 22 8.401 6.524 -2.740 198 HB ILE 22 HB ILE 22 7.584 4.789 -1.196 199 HG12 ILE 22 1HG1 ILE 22 7.601 3.893 -4.087 200 HG13 ILE 22 2HG1 ILE 22 9.022 4.125 -3.075 201 HG21 ILE 22 1HG2 ILE 22 5.186 5.158 -1.545 202 HG22 ILE 22 2HG2 ILE 22 5.627 3.457 -1.705 203 HG23 ILE 22 3HG2 ILE 22 5.317 4.428 -3.144 204 HD11 ILE 22 3HD1 ILE 22 8.478 1.781 -3.267 205 HD12 ILE 22 1HD1 ILE 22 6.853 2.087 -2.654 206 HD13 ILE 22 2HD1 ILE 22 8.250 2.330 -1.606 207 H THR 23 H THR 23 8.587 6.015 -4.920 208 HA THR 23 HA THR 23 6.703 7.041 -6.742 209 HB THR 23 HB THR 23 8.054 5.679 -8.449 210 HG1 THR 23 HG1 THR 23 9.501 5.137 -6.053 211 HG21 THR 23 3HG2 THR 23 9.488 7.634 -6.652 212 HG22 THR 23 1HG2 THR 23 8.462 8.046 -8.026 213 HG23 THR 23 2HG2 THR 23 9.981 7.188 -8.285 214 H GLN 24 H GLN 24 5.286 6.004 -8.177 215 HA GLN 24 HA GLN 24 3.725 4.030 -6.887 216 HB2 GLN 24 1HB GLN 24 2.882 5.835 -8.410 217 HB3 GLN 24 2HB GLN 24 3.507 4.906 -9.765 218 HG2 GLN 24 1HG GLN 24 2.046 3.024 -9.079 219 HG3 GLN 24 2HG GLN 24 1.352 4.068 -7.840 220 HE21 GLN 24 1HE2 GLN 24 0.067 5.838 -8.481 221 HE22 GLN 24 2HE2 GLN 24 -0.641 5.898 -10.058 222 H GLU 25 H GLU 25 6.027 3.839 -9.566 223 HA GLU 25 HA GLU 25 5.335 1.183 -10.330 224 HB2 GLU 25 1HB GLU 25 6.571 2.778 -11.786 225 HB3 GLU 25 2HB GLU 25 7.961 2.624 -10.722 226 HG2 GLU 25 1HG GLU 25 8.157 0.273 -11.263 227 HG3 GLU 25 2HG GLU 25 6.706 0.361 -12.260 228 H GLU 26 H GLU 26 7.872 2.543 -8.269 229 HA GLU 26 HA GLU 26 9.030 0.077 -7.525 230 HB2 GLU 26 1HB GLU 26 10.195 2.209 -7.267 231 HB3 GLU 26 2HB GLU 26 8.990 2.751 -6.111 232 HG2 GLU 26 1HG GLU 26 9.714 1.154 -4.499 233 HG3 GLU 26 2HG GLU 26 10.774 0.374 -5.673 234 H LEU 27 H LEU 27 6.289 1.883 -6.402 235 HA LEU 27 HA LEU 27 5.817 0.554 -3.964 236 HB2 LEU 27 1HB LEU 27 4.768 2.703 -4.808 237 HB3 LEU 27 2HB LEU 27 3.738 1.717 -5.822 238 HG LEU 27 HG LEU 27 2.739 2.576 -3.646 239 HD11 LEU 27 1HD1 LEU 27 1.707 0.776 -4.945 240 HD12 LEU 27 2HD1 LEU 27 1.505 0.528 -3.211 241 HD13 LEU 27 3HD1 LEU 27 2.708 -0.406 -4.099 242 HD21 LEU 27 3HD2 LEU 27 4.698 2.130 -2.236 243 HD22 LEU 27 1HD2 LEU 27 4.477 0.399 -2.485 244 HD23 LEU 27 2HD2 LEU 27 3.251 1.333 -1.620 245 H HIS 28 H HIS 28 4.705 -0.093 -7.279 246 HA HIS 28 HA HIS 28 3.015 -2.247 -6.563 247 HB2 HIS 28 1HB HIS 28 3.053 -0.911 -8.775 248 HB3 HIS 28 2HB HIS 28 4.331 -2.025 -9.259 249 HD1 HIS 28 HD1 HIS 28 3.222 -4.681 -8.220 250 HD2 HIS 28 HD2 HIS 28 0.898 -1.805 -10.114 251 HE1 HIS 28 HE1 HIS 28 1.179 -5.881 -9.074 252 H GLN 29 H GLN 29 6.407 -2.067 -7.529 253 HA GLN 29 HA GLN 29 6.909 -4.847 -7.628 254 HB2 GLN 29 1HB GLN 29 8.794 -2.610 -6.841 255 HB3 GLN 29 2HB GLN 29 9.272 -4.235 -7.307 256 HG2 GLN 29 1HG GLN 29 7.694 -2.493 -9.156 257 HG3 GLN 29 2HG GLN 29 9.443 -2.350 -9.034 258 HE21 GLN 29 1HE2 GLN 29 7.793 -5.424 -8.704 259 HE22 GLN 29 2HE2 GLN 29 8.353 -6.090 -10.195 260 H TYR 30 H TYR 30 6.871 -2.500 -5.027 261 HA TYR 30 HA TYR 30 7.908 -4.174 -2.991 262 HB2 TYR 30 1HB TYR 30 7.696 -1.612 -3.039 263 HB3 TYR 30 2HB TYR 30 6.021 -1.861 -2.564 264 HD1 TYR 30 HD1 TYR 30 9.312 -3.283 -1.489 265 HD2 TYR 30 HD2 TYR 30 5.673 -1.410 -0.335 266 HE1 TYR 30 HE1 TYR 30 10.017 -3.375 0.865 267 HE2 TYR 30 HE2 TYR 30 6.369 -1.495 2.022 268 HH TYR 30 HH TYR 30 9.550 -2.197 2.972 269 H ALA 31 H ALA 31 4.719 -3.664 -4.338 270 HA ALA 31 HA ALA 31 3.217 -4.867 -2.260 271 HB1 ALA 31 3HB ALA 31 2.545 -4.612 -5.193 272 HB2 ALA 31 1HB ALA 31 2.208 -3.409 -3.949 273 HB3 ALA 31 2HB ALA 31 1.408 -4.979 -3.895 274 H GLN 32 H GLN 32 4.694 -6.123 -5.205 275 HA GLN 32 HA GLN 32 3.597 -8.762 -4.876 276 HB2 GLN 32 1HB GLN 32 5.861 -7.785 -6.634 277 HB3 GLN 32 2HB GLN 32 5.104 -9.368 -6.735 278 HG2 GLN 32 1HG GLN 32 2.995 -8.360 -7.365 279 HG3 GLN 32 2HG GLN 32 3.687 -6.751 -7.193 280 HE21 GLN 32 1HE2 GLN 32 6.252 -7.597 -8.357 281 HE22 GLN 32 2HE2 GLN 32 5.968 -7.732 -10.062 282 H ARG 33 H ARG 33 6.355 -7.046 -3.791 283 HA ARG 33 HA ARG 33 7.938 -9.283 -3.013 284 HB2 ARG 33 1HB ARG 33 9.067 -7.226 -3.334 285 HB3 ARG 33 2HB ARG 33 7.940 -6.356 -2.306 286 HG2 ARG 33 1HG ARG 33 8.824 -7.541 -0.351 287 HG3 ARG 33 2HG ARG 33 9.969 -8.386 -1.397 288 HD2 ARG 33 1HD ARG 33 11.166 -6.436 -1.858 289 HD3 ARG 33 2HD ARG 33 9.846 -5.391 -1.341 290 HE ARG 33 HE ARG 33 10.799 -6.990 0.813 291 HH11 ARG 33 1HH1 ARG 33 11.664 -4.201 -1.135 292 HH12 ARG 33 2HH1 ARG 33 12.487 -3.389 0.167 293 HH21 ARG 33 1HH2 ARG 33 11.861 -5.921 2.526 294 HH22 ARG 33 2HH2 ARG 33 12.581 -4.358 2.257 295 H LEU 34 H LEU 34 5.427 -7.359 -1.474 296 HA LEU 34 HA LEU 34 5.889 -8.631 1.093 297 HB2 LEU 34 1HB LEU 34 3.872 -6.566 0.233 298 HB3 LEU 34 2HB LEU 34 4.039 -7.172 1.868 299 HG LEU 34 HG LEU 34 6.094 -5.584 0.331 300 HD11 LEU 34 1HD1 LEU 34 5.696 -3.908 2.084 301 HD12 LEU 34 2HD1 LEU 34 4.412 -4.922 2.741 302 HD13 LEU 34 3HD1 LEU 34 4.252 -4.234 1.124 303 HD21 LEU 34 3HD2 LEU 34 7.396 -5.617 2.412 304 HD22 LEU 34 1HD2 LEU 34 7.202 -7.233 1.734 305 HD23 LEU 34 2HD2 LEU 34 6.228 -6.734 3.118 306 H GLY 35 H GLY 35 3.644 -8.892 -1.579 307 HA2 GLY 35 1HA GLY 35 2.580 -11.080 -1.819 308 HA3 GLY 35 2HA GLY 35 2.321 -11.071 -0.079 309 H LEU 36 H LEU 36 1.722 -8.499 -2.462 310 HA LEU 36 HA LEU 36 -0.976 -8.342 -1.342 311 HB2 LEU 36 1HB LEU 36 0.627 -6.305 -2.873 312 HB3 LEU 36 2HB LEU 36 -1.025 -6.071 -2.327 313 HG LEU 36 HG LEU 36 1.383 -6.494 -0.561 314 HD11 LEU 36 1HD1 LEU 36 1.267 -4.267 -1.544 315 HD12 LEU 36 2HD1 LEU 36 0.915 -4.215 0.184 316 HD13 LEU 36 3HD1 LEU 36 -0.398 -4.097 -0.988 317 HD21 LEU 36 3HD2 LEU 36 -0.210 -6.118 1.286 318 HD22 LEU 36 1HD2 LEU 36 -0.553 -7.593 0.383 319 HD23 LEU 36 2HD2 LEU 36 -1.537 -6.154 0.123 320 H ASN 37 H ASN 37 -2.716 -8.670 -2.450 321 HA ASN 37 HA ASN 37 -2.660 -9.112 -5.309 322 HB2 ASN 37 1HB ASN 37 -5.194 -9.351 -4.933 323 HB3 ASN 37 2HB ASN 37 -4.157 -10.567 -4.202 324 HD21 ASN 37 1HD2 ASN 37 -4.410 -7.352 -2.849 325 HD22 ASN 37 2HD2 ASN 37 -5.307 -7.816 -1.435 326 H GLU 38 H GLU 38 -4.275 -7.896 -6.664 327 HA GLU 38 HA GLU 38 -3.597 -5.168 -6.621 328 HB2 GLU 38 1HB GLU 38 -5.776 -6.615 -8.119 329 HB3 GLU 38 2HB GLU 38 -5.273 -4.961 -8.447 330 HG2 GLU 38 1HG GLU 38 -3.165 -5.636 -9.210 331 HG3 GLU 38 2HG GLU 38 -3.337 -7.249 -8.521 332 H GLU 39 H GLU 39 -6.238 -6.899 -5.232 333 HA GLU 39 HA GLU 39 -8.190 -5.050 -4.731 334 HB2 GLU 39 1HB GLU 39 -8.331 -7.368 -4.016 335 HB3 GLU 39 2HB GLU 39 -7.020 -7.127 -2.872 336 HG2 GLU 39 1HG GLU 39 -9.080 -7.181 -1.672 337 HG3 GLU 39 2HG GLU 39 -8.460 -5.530 -1.636 338 H ALA 40 H ALA 40 -5.269 -5.615 -2.855 339 HA ALA 40 HA ALA 40 -5.836 -3.501 -0.993 340 HB1 ALA 40 3HB ALA 40 -3.352 -5.174 -1.323 341 HB2 ALA 40 1HB ALA 40 -4.736 -5.588 -0.312 342 HB3 ALA 40 2HB ALA 40 -3.765 -4.168 0.065 343 H ILE 41 H ILE 41 -3.817 -3.979 -3.801 344 HA ILE 41 HA ILE 41 -2.066 -1.807 -3.411 345 HB ILE 41 HB ILE 41 -2.928 -3.009 -6.049 346 HG12 ILE 41 1HG1 ILE 41 -0.656 -3.817 -4.214 347 HG13 ILE 41 2HG1 ILE 41 -2.131 -4.741 -4.490 348 HG21 ILE 41 1HG2 ILE 41 -0.718 -2.250 -6.828 349 HG22 ILE 41 2HG2 ILE 41 -0.457 -1.468 -5.268 350 HG23 ILE 41 3HG2 ILE 41 -1.755 -0.915 -6.327 351 HD11 ILE 41 3HD1 ILE 41 -0.250 -5.639 -5.740 352 HD12 ILE 41 1HD1 ILE 41 -0.053 -4.095 -6.567 353 HD13 ILE 41 2HD1 ILE 41 -1.515 -5.048 -6.819 354 H ARG 42 H ARG 42 -4.999 -2.118 -5.399 355 HA ARG 42 HA ARG 42 -5.077 0.600 -6.176 356 HB2 ARG 42 1HB ARG 42 -6.214 -1.164 -7.428 357 HB3 ARG 42 2HB ARG 42 -7.276 -1.413 -6.061 358 HG2 ARG 42 1HG ARG 42 -8.201 0.782 -6.306 359 HG3 ARG 42 2HG ARG 42 -7.090 1.129 -7.631 360 HD2 ARG 42 1HD ARG 42 -8.111 -0.717 -8.917 361 HD3 ARG 42 2HD ARG 42 -9.264 -0.962 -7.603 362 HE ARG 42 HE ARG 42 -9.541 1.673 -8.208 363 HH11 ARG 42 1HH1 ARG 42 -9.839 -1.318 -10.027 364 HH12 ARG 42 2HH1 ARG 42 -10.863 -0.611 -11.239 365 HH21 ARG 42 1HH2 ARG 42 -10.883 2.580 -9.772 366 HH22 ARG 42 2HH2 ARG 42 -11.465 1.610 -11.092 367 H GLN 43 H GLN 43 -6.204 -1.156 -3.425 368 HA GLN 43 HA GLN 43 -8.259 0.497 -2.515 369 HB2 GLN 43 1HB GLN 43 -7.544 -1.823 -1.690 370 HB3 GLN 43 2HB GLN 43 -6.374 -0.976 -0.689 371 HG2 GLN 43 1HG GLN 43 -8.259 -1.399 0.666 372 HG3 GLN 43 2HG GLN 43 -8.293 0.323 0.277 373 HE21 GLN 43 1HE2 GLN 43 -9.153 -2.221 -1.950 374 HE22 GLN 43 2HE2 GLN 43 -10.842 -1.847 -2.034 375 H PHE 44 H PHE 44 -4.803 0.511 -1.693 376 HA PHE 44 HA PHE 44 -5.014 2.570 0.238 377 HB2 PHE 44 1HB PHE 44 -3.129 0.795 -0.246 378 HB3 PHE 44 2HB PHE 44 -2.467 2.082 -1.247 379 HD1 PHE 44 HD1 PHE 44 -3.745 1.415 2.168 380 HD2 PHE 44 HD2 PHE 44 -1.098 3.706 -0.253 381 HE1 PHE 44 HE1 PHE 44 -2.774 2.401 4.191 382 HE2 PHE 44 HE2 PHE 44 -0.117 4.709 1.774 383 HZ PHE 44 HZ PHE 44 -0.954 4.060 4.001 384 H PHE 45 H PHE 45 -4.686 2.613 -3.213 385 HA PHE 45 HA PHE 45 -3.743 5.320 -3.354 386 HB2 PHE 45 1HB PHE 45 -4.903 3.491 -5.466 387 HB3 PHE 45 2HB PHE 45 -4.291 5.107 -5.797 388 HD1 PHE 45 HD1 PHE 45 -1.898 4.968 -3.899 389 HD2 PHE 45 HD2 PHE 45 -3.411 2.264 -6.818 390 HE1 PHE 45 HE1 PHE 45 0.357 4.046 -4.207 391 HE2 PHE 45 HE2 PHE 45 -1.152 1.342 -7.136 392 HZ PHE 45 HZ PHE 45 0.734 2.232 -5.828 393 H GLU 46 H GLU 46 -6.880 3.768 -4.098 394 HA GLU 46 HA GLU 46 -8.022 6.371 -4.581 395 HB2 GLU 46 1HB GLU 46 -9.320 3.651 -4.632 396 HB3 GLU 46 2HB GLU 46 -10.070 5.150 -5.162 397 HG2 GLU 46 1HG GLU 46 -7.977 5.308 -6.714 398 HG3 GLU 46 2HG GLU 46 -7.891 3.570 -6.433 399 H GLU 47 H GLU 47 -8.085 3.996 -1.994 400 HA GLU 47 HA GLU 47 -10.045 5.679 -0.592 401 HB2 GLU 47 1HB GLU 47 -10.485 3.192 -0.844 402 HB3 GLU 47 2HB GLU 47 -9.135 2.930 0.253 403 HG2 GLU 47 1HG GLU 47 -10.249 4.004 2.037 404 HG3 GLU 47 2HG GLU 47 -11.488 4.655 0.969 405 H PHE 48 H PHE 48 -7.357 6.471 -0.965 406 HA PHE 48 HA PHE 48 -5.799 6.291 1.369 407 HB2 PHE 48 1HB PHE 48 -5.361 7.403 -0.987 408 HB3 PHE 48 2HB PHE 48 -6.033 8.831 -0.207 409 HD1 PHE 48 HD1 PHE 48 -3.481 6.191 0.438 410 HD2 PHE 48 HD2 PHE 48 -4.574 10.290 0.781 411 HE1 PHE 48 HE1 PHE 48 -1.263 6.702 1.377 412 HE2 PHE 48 HE2 PHE 48 -2.363 10.809 1.720 413 HZ PHE 48 HZ PHE 48 -0.701 9.009 2.018 414 H GLU 49 H GLU 49 -5.509 8.359 2.851 415 HA GLU 49 HA GLU 49 -7.899 8.704 4.279 416 HB2 GLU 49 1HB GLU 49 -6.731 10.318 5.628 417 HB3 GLU 49 2HB GLU 49 -5.640 8.994 5.253 418 HG2 GLU 49 1HG GLU 49 -4.480 10.304 3.636 419 HG3 GLU 49 2HG GLU 49 -5.677 11.596 3.751 420 H GLN 50 H GLN 50 -6.544 10.499 1.626 421 HA GLN 50 HA GLN 50 -8.213 12.791 1.863 422 HB2 GLN 50 1HB GLN 50 -6.912 11.678 -0.630 423 HB3 GLN 50 2HB GLN 50 -7.502 13.320 -0.397 424 HG2 GLN 50 1HG GLN 50 -5.828 13.603 1.415 425 HG3 GLN 50 2HG GLN 50 -5.187 12.012 1.010 426 HE21 GLN 50 1HE2 GLN 50 -5.712 12.462 -1.865 427 HE22 GLN 50 2HE2 GLN 50 -4.436 13.507 -2.401 428 H ARG 51 H ARG 51 -8.366 9.840 -0.109 429 HA ARG 51 HA ARG 51 -10.104 8.592 -0.846 430 HB2 ARG 51 1HB ARG 51 -10.927 9.840 1.617 431 HB3 ARG 51 2HB ARG 51 -12.310 9.500 0.601 432 HG2 ARG 51 1HG ARG 51 -11.771 7.181 0.534 433 HG3 ARG 51 2HG ARG 51 -10.228 7.476 1.351 434 HD2 ARG 51 1HD ARG 51 -11.473 8.394 3.258 435 HD3 ARG 51 2HD ARG 51 -12.974 7.936 2.469 436 HE ARG 51 HE ARG 51 -11.182 5.724 2.779 437 HH11 ARG 51 1HH1 ARG 51 -13.554 7.696 4.404 438 HH12 ARG 51 2HH1 ARG 51 -14.043 6.455 5.514 439 HH21 ARG 51 1HH2 ARG 51 -11.808 4.049 4.243 440 HH22 ARG 51 2HH2 ARG 51 -13.055 4.367 5.412 441 H LYS 52 H LYS 52 -12.806 9.119 -1.103 442 HA LYS 52 HA LYS 52 -13.108 11.512 -2.715 443 HB2 LYS 52 1HB LYS 52 -14.137 9.918 -4.539 444 HB3 LYS 52 2HB LYS 52 -12.408 10.232 -4.514 445 HG2 LYS 52 1HG LYS 52 -11.908 8.131 -3.651 446 HG3 LYS 52 2HG LYS 52 -13.549 7.877 -3.063 447 HD2 LYS 52 1HD LYS 52 -13.217 8.229 -5.983 448 HD3 LYS 52 2HD LYS 52 -12.605 6.730 -5.284 449 HE2 LYS 52 1HE LYS 52 -14.916 6.482 -6.040 450 HE3 LYS 52 2HE LYS 52 -14.778 6.275 -4.295 451 HZ1 LYS 52 3HZ LYS 52 -15.741 8.704 -5.711 452 HZ2 LYS 52 1HZ LYS 52 -15.540 8.579 -4.027 453 HZ3 LYS 52 2HZ LYS 52 -16.686 7.613 -4.822
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