NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473357 | 2jtv | 15419 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -9.949 7.101 7.354 2 H2 MET 1 2H MET 1 -8.987 5.960 6.557 3 H3 MET 1 3H MET 1 -10.646 5.682 6.738 4 HA MET 1 HA MET 1 -11.133 7.592 5.338 5 HB2 MET 1 1HB MET 1 -8.122 7.662 5.067 6 HB3 MET 1 2HB MET 1 -9.224 8.522 3.995 7 HG2 MET 1 1HG MET 1 -10.067 9.806 5.897 8 HG3 MET 1 2HG MET 1 -8.947 8.949 6.961 9 HE1 MET 1 3HE MET 1 -7.436 12.572 6.735 10 HE2 MET 1 1HE MET 1 -7.997 11.302 7.823 11 HE3 MET 1 2HE MET 1 -9.141 12.118 6.757 12 H ALA 2 H ALA 2 -8.791 4.987 5.004 13 HA ALA 2 HA ALA 2 -9.398 4.532 2.230 14 HB1 ALA 2 3HB ALA 2 -7.191 4.011 3.171 15 HB2 ALA 2 1HB ALA 2 -7.944 2.595 2.435 16 HB3 ALA 2 2HB ALA 2 -7.927 2.775 4.190 17 H THR 3 H THR 3 -10.378 2.610 1.384 18 HA THR 3 HA THR 3 -12.574 1.676 3.092 19 HB THR 3 HB THR 3 -13.183 2.663 0.906 20 HG1 THR 3 HG1 THR 3 -14.477 0.946 1.826 21 HG21 THR 3 3HG2 THR 3 -11.197 2.010 -0.367 22 HG22 THR 3 1HG2 THR 3 -12.674 1.481 -1.172 23 HG23 THR 3 2HG2 THR 3 -11.692 0.319 -0.279 24 H ALA 4 H ALA 4 -13.267 -0.683 2.490 25 HA ALA 4 HA ALA 4 -11.273 -2.435 3.387 26 HB1 ALA 4 3HB ALA 4 -13.805 -3.112 1.898 27 HB2 ALA 4 1HB ALA 4 -13.675 -2.856 3.638 28 HB3 ALA 4 2HB ALA 4 -12.845 -4.217 2.883 29 H ASP 5 H ASP 5 -12.260 -1.484 0.180 30 HA ASP 5 HA ASP 5 -10.910 -3.477 -1.293 31 HB2 ASP 5 1HB ASP 5 -12.653 -1.926 -2.203 32 HB3 ASP 5 2HB ASP 5 -11.466 -0.624 -2.142 33 H ASP 6 H ASP 6 -9.863 -0.511 0.216 34 HA ASP 6 HA ASP 6 -7.300 -0.431 -1.074 35 HB2 ASP 6 1HB ASP 6 -8.313 0.968 1.410 36 HB3 ASP 6 2HB ASP 6 -6.739 1.265 0.674 37 H PHE 7 H PHE 7 -8.594 -1.691 1.949 38 HA PHE 7 HA PHE 7 -6.208 -2.502 3.131 39 HB2 PHE 7 1HB PHE 7 -9.021 -3.544 3.292 40 HB3 PHE 7 2HB PHE 7 -7.708 -4.339 4.158 41 HD1 PHE 7 HD2 PHE 7 -6.552 -3.190 5.980 42 HD2 PHE 7 HD1 PHE 7 -9.889 -1.435 4.012 43 HE1 PHE 7 HE2 PHE 7 -6.799 -1.596 7.836 44 HE2 PHE 7 HE1 PHE 7 -10.144 0.165 5.865 45 HZ PHE 7 HZ PHE 7 -8.597 0.085 7.781 46 H LYS 8 H LYS 8 -8.248 -4.049 0.726 47 HA LYS 8 HA LYS 8 -6.830 -6.484 0.532 48 HB2 LYS 8 1HB LYS 8 -8.440 -5.002 -1.550 49 HB3 LYS 8 2HB LYS 8 -7.891 -6.664 -1.705 50 HG2 LYS 8 1HG LYS 8 -9.259 -7.335 0.165 51 HG3 LYS 8 2HG LYS 8 -9.744 -5.655 0.443 52 HD2 LYS 8 1HD LYS 8 -10.818 -5.589 -1.736 53 HD3 LYS 8 2HD LYS 8 -10.289 -7.239 -2.067 54 HE2 LYS 8 1HE LYS 8 -11.636 -8.052 -0.205 55 HE3 LYS 8 2HE LYS 8 -12.144 -6.401 0.159 56 HZ1 LYS 8 3HZ LYS 8 -13.278 -6.266 -1.914 57 HZ2 LYS 8 1HZ LYS 8 -13.776 -7.701 -1.154 58 HZ3 LYS 8 2HZ LYS 8 -12.658 -7.758 -2.430 59 H LEU 9 H LEU 9 -6.324 -3.320 -0.810 60 HA LEU 9 HA LEU 9 -4.379 -4.150 -2.745 61 HB2 LEU 9 1HB LEU 9 -5.875 -2.123 -2.912 62 HB3 LEU 9 2HB LEU 9 -4.885 -1.373 -1.671 63 HG LEU 9 HG LEU 9 -3.665 -2.336 -4.250 64 HD11 LEU 9 1HD1 LEU 9 -3.965 -0.091 -5.151 65 HD12 LEU 9 2HD1 LEU 9 -4.901 0.365 -3.727 66 HD13 LEU 9 3HD1 LEU 9 -5.522 -0.858 -4.835 67 HD21 LEU 9 3HD2 LEU 9 -2.167 -1.757 -2.395 68 HD22 LEU 9 1HD2 LEU 9 -2.905 -0.158 -2.303 69 HD23 LEU 9 2HD2 LEU 9 -2.004 -0.632 -3.744 70 H ILE 10 H ILE 10 -4.268 -2.573 0.449 71 HA ILE 10 HA ILE 10 -1.454 -2.247 0.434 72 HB ILE 10 HB ILE 10 -2.924 -0.887 1.865 73 HG12 ILE 10 1HG1 ILE 10 -1.523 -0.969 3.920 74 HG13 ILE 10 2HG1 ILE 10 -0.833 -2.486 3.354 75 HG21 ILE 10 1HG2 ILE 10 -3.235 -3.380 3.526 76 HG22 ILE 10 2HG2 ILE 10 -4.493 -2.622 2.551 77 HG23 ILE 10 3HG2 ILE 10 -3.824 -1.770 3.943 78 HD11 ILE 10 3HD1 ILE 10 0.094 -1.346 1.414 79 HD12 ILE 10 1HD1 ILE 10 0.644 -0.605 2.917 80 HD13 ILE 10 2HD1 ILE 10 -0.617 0.172 1.960 81 H ARG 11 H ARG 11 -3.540 -4.877 1.499 82 HA ARG 11 HA ARG 11 -1.469 -6.302 2.846 83 HB2 ARG 11 1HB ARG 11 -2.972 -8.137 2.986 84 HB3 ARG 11 2HB ARG 11 -3.950 -6.690 3.163 85 HG2 ARG 11 1HG ARG 11 -4.640 -6.874 0.824 86 HG3 ARG 11 2HG ARG 11 -3.665 -8.335 0.660 87 HD2 ARG 11 1HD ARG 11 -5.022 -9.332 2.517 88 HD3 ARG 11 2HD ARG 11 -6.079 -7.925 2.412 89 HE ARG 11 HE ARG 11 -5.721 -9.226 -0.117 90 HH11 ARG 11 1HH1 ARG 11 -7.568 -9.219 2.860 91 HH12 ARG 11 2HH1 ARG 11 -8.864 -10.175 2.212 92 HH21 ARG 11 1HH2 ARG 11 -7.428 -10.486 -0.981 93 HH22 ARG 11 2HH2 ARG 11 -8.790 -10.893 0.019 94 H ASP 12 H ASP 12 -2.575 -6.081 -0.448 95 HA ASP 12 HA ASP 12 -1.280 -8.314 -1.555 96 HB2 ASP 12 1HB ASP 12 -2.963 -7.075 -2.802 97 HB3 ASP 12 2HB ASP 12 -1.954 -5.630 -2.787 98 H ILE 13 H ILE 13 -0.187 -5.062 -0.845 99 HA ILE 13 HA ILE 13 2.265 -5.048 -2.139 100 HB ILE 13 HB ILE 13 1.904 -3.845 0.597 101 HG12 ILE 13 1HG1 ILE 13 -0.118 -3.292 -0.691 102 HG13 ILE 13 2HG1 ILE 13 0.887 -1.869 -0.445 103 HG21 ILE 13 1HG2 ILE 13 3.334 -2.071 -0.349 104 HG22 ILE 13 2HG2 ILE 13 3.442 -2.991 -1.850 105 HG23 ILE 13 3HG2 ILE 13 4.110 -3.655 -0.360 106 HD11 ILE 13 3HD1 ILE 13 0.708 -3.499 -2.964 107 HD12 ILE 13 1HD1 ILE 13 1.732 -2.083 -2.727 108 HD13 ILE 13 2HD1 ILE 13 -0.024 -1.919 -2.682 109 H HIS 14 H HIS 14 1.320 -6.373 0.975 110 HA HIS 14 HA HIS 14 3.957 -7.122 1.779 111 HB2 HIS 14 1HB HIS 14 1.244 -8.024 2.770 112 HB3 HIS 14 2HB HIS 14 2.777 -8.408 3.547 113 HD1 HIS 14 HD1 HIS 14 3.904 -6.536 4.920 114 HD2 HIS 14 HD2 HIS 14 0.319 -5.440 3.132 115 HE1 HIS 14 HE1 HIS 14 3.297 -4.306 5.924 116 HE2 HIS 14 HE2 HIS 14 1.009 -3.790 5.002 117 H SER 15 H SER 15 1.231 -8.735 0.244 118 HA SER 15 HA SER 15 2.308 -11.347 0.269 119 HB2 SER 15 1HB SER 15 0.334 -10.210 -1.721 120 HB3 SER 15 2HB SER 15 0.523 -11.899 -1.248 121 HG SER 15 HG SER 15 -1.230 -10.528 -0.234 122 H THR 16 H THR 16 3.028 -8.589 -1.614 123 HA THR 16 HA THR 16 4.262 -10.165 -3.741 124 HB THR 16 HB THR 16 4.182 -7.148 -3.524 125 HG1 THR 16 HG1 THR 16 2.038 -7.940 -3.489 126 HG21 THR 16 3HG2 THR 16 4.454 -9.012 -5.891 127 HG22 THR 16 1HG2 THR 16 5.751 -8.052 -5.179 128 HG23 THR 16 2HG2 THR 16 4.393 -7.252 -5.971 129 H GLY 17 H GLY 17 5.112 -9.385 -0.728 130 HA2 GLY 17 1HA GLY 17 7.370 -10.140 -0.132 131 HA3 GLY 17 2HA GLY 17 7.963 -9.191 -1.489 132 H GLY 18 H GLY 18 5.850 -7.102 -0.524 133 HA2 GLY 18 1HA GLY 18 5.902 -5.749 1.581 134 HA3 GLY 18 2HA GLY 18 7.653 -5.941 1.516 135 H ARG 19 H ARG 19 7.810 -5.662 -1.346 136 HA ARG 19 HA ARG 19 7.173 -2.805 -1.629 137 HB2 ARG 19 1HB ARG 19 9.161 -4.542 -3.106 138 HB3 ARG 19 2HB ARG 19 8.818 -2.863 -3.513 139 HG2 ARG 19 1HG ARG 19 9.627 -2.162 -1.323 140 HG3 ARG 19 2HG ARG 19 9.956 -3.846 -0.904 141 HD2 ARG 19 1HD ARG 19 11.564 -4.013 -2.699 142 HD3 ARG 19 2HD ARG 19 11.187 -2.376 -3.230 143 HE ARG 19 HE ARG 19 11.978 -2.090 -0.627 144 HH11 ARG 19 1HH1 ARG 19 13.394 -3.523 -3.491 145 HH12 ARG 19 2HH1 ARG 19 15.027 -3.139 -3.031 146 HH21 ARG 19 1HH2 ARG 19 14.133 -1.579 -0.021 147 HH22 ARG 19 2HH2 ARG 19 15.448 -2.051 -1.056 148 H ARG 20 H ARG 20 6.129 -2.080 -3.499 149 HA ARG 20 HA ARG 20 5.185 -4.090 -5.400 150 HB2 ARG 20 1HB ARG 20 3.503 -3.731 -3.550 151 HB3 ARG 20 2HB ARG 20 3.368 -2.066 -4.104 152 HG2 ARG 20 1HG ARG 20 1.546 -3.382 -4.975 153 HG3 ARG 20 2HG ARG 20 2.606 -2.890 -6.297 154 HD2 ARG 20 1HD ARG 20 3.448 -5.022 -6.595 155 HD3 ARG 20 2HD ARG 20 3.032 -5.523 -4.954 156 HE ARG 20 HE ARG 20 0.705 -5.629 -5.662 157 HH11 ARG 20 1HH1 ARG 20 3.153 -5.569 -8.173 158 HH12 ARG 20 2HH1 ARG 20 2.108 -6.235 -9.388 159 HH21 ARG 20 1HH2 ARG 20 -0.661 -6.505 -7.239 160 HH22 ARG 20 2HH2 ARG 20 -0.078 -6.772 -8.855 161 H GLN 21 H GLN 21 5.944 -3.338 -7.281 162 HA GLN 21 HA GLN 21 6.086 -0.442 -7.682 163 HB2 GLN 21 1HB GLN 21 7.411 -1.038 -9.718 164 HB3 GLN 21 2HB GLN 21 8.128 -1.560 -8.197 165 HG2 GLN 21 1HG GLN 21 7.223 -3.829 -8.604 166 HG3 GLN 21 2HG GLN 21 6.648 -3.276 -10.181 167 HE21 GLN 21 2HE2 GLN 21 8.124 -2.892 -11.816 168 HE22 GLN 21 1HE2 GLN 21 9.784 -3.398 -11.720 169 H VAL 22 H VAL 22 4.702 0.625 -8.878 170 HA VAL 22 HA VAL 22 2.968 -0.883 -10.729 171 HB VAL 22 HB VAL 22 2.176 1.537 -9.090 172 HG11 VAL 22 1HG1 VAL 22 0.565 -0.226 -10.934 173 HG12 VAL 22 2HG1 VAL 22 1.010 1.457 -11.216 174 HG13 VAL 22 3HG1 VAL 22 -0.098 1.045 -9.906 175 HG21 VAL 22 3HG2 VAL 22 2.427 -0.418 -7.676 176 HG22 VAL 22 1HG2 VAL 22 1.419 -1.364 -8.772 177 HG23 VAL 22 2HG2 VAL 22 0.718 -0.022 -7.869 178 H PHE 23 H PHE 23 2.840 -0.121 -12.749 179 HA PHE 23 HA PHE 23 4.784 1.571 -13.763 180 HB2 PHE 23 1HB PHE 23 2.123 0.875 -15.016 181 HB3 PHE 23 2HB PHE 23 3.534 1.491 -15.871 182 HD1 PHE 23 HD1 PHE 23 5.559 0.085 -16.085 183 HD2 PHE 23 HD2 PHE 23 1.932 -1.414 -14.433 184 HE1 PHE 23 HE1 PHE 23 6.361 -2.216 -16.417 185 HE2 PHE 23 HE2 PHE 23 2.731 -3.716 -14.763 186 HZ PHE 23 HZ PHE 23 4.947 -4.119 -15.755 187 H GLY 24 H GLY 24 1.306 2.280 -13.500 188 HA2 GLY 24 1HA GLY 24 1.438 4.740 -12.323 189 HA3 GLY 24 2HA GLY 24 1.714 5.069 -14.032 190 H SER 25 H SER 25 -0.154 6.128 -14.464 191 HA SER 25 HA SER 25 -2.303 6.385 -15.122 192 HB2 SER 25 1HB SER 25 -2.383 3.361 -15.030 193 HB3 SER 25 2HB SER 25 -3.493 4.410 -15.914 194 HG SER 25 HG SER 25 -1.091 5.128 -16.677 195 H ARG 26 H ARG 26 -4.641 4.943 -14.498 196 HA ARG 26 HA ARG 26 -5.277 6.106 -12.012 197 HB2 ARG 26 1HB ARG 26 -6.766 3.970 -13.544 198 HB3 ARG 26 2HB ARG 26 -7.427 4.931 -12.229 199 HG2 ARG 26 1HG ARG 26 -7.113 6.960 -13.576 200 HG3 ARG 26 2HG ARG 26 -6.502 5.964 -14.900 201 HD2 ARG 26 1HD ARG 26 -8.822 6.455 -15.298 202 HD3 ARG 26 2HD ARG 26 -8.653 4.741 -14.916 203 HE ARG 26 HE ARG 26 -9.703 6.800 -13.083 204 HH11 ARG 26 1HH1 ARG 26 -9.395 3.459 -14.090 205 HH12 ARG 26 2HH1 ARG 26 -10.572 2.873 -12.952 206 HH21 ARG 26 1HH2 ARG 26 -11.244 6.036 -11.575 207 HH22 ARG 26 2HH2 ARG 26 -11.589 4.329 -11.491 208 H GLU 27 H GLU 27 -4.085 2.967 -12.875 209 HA GLU 27 HA GLU 27 -4.859 1.516 -10.615 210 HB2 GLU 27 1HB GLU 27 -2.304 1.167 -12.191 211 HB3 GLU 27 2HB GLU 27 -3.096 -0.038 -11.187 212 HG2 GLU 27 1HG GLU 27 -3.718 -0.700 -13.289 213 HG3 GLU 27 2HG GLU 27 -5.093 0.301 -12.811 214 H GLN 28 H GLN 28 -2.236 3.776 -11.130 215 HA GLN 28 HA GLN 28 -0.804 2.972 -8.757 216 HB2 GLN 28 1HB GLN 28 0.273 3.871 -10.858 217 HB3 GLN 28 2HB GLN 28 -0.359 5.455 -10.414 218 HG2 GLN 28 1HG GLN 28 0.890 5.312 -8.290 219 HG3 GLN 28 2HG GLN 28 1.583 3.786 -8.834 220 HE21 GLN 28 2HE2 GLN 28 3.096 3.793 -10.504 221 HE22 GLN 28 1HE2 GLN 28 3.926 5.243 -10.971 222 H LYS 29 H LYS 29 -3.324 5.173 -9.496 223 HA LYS 29 HA LYS 29 -2.874 7.270 -7.752 224 HB2 LYS 29 1HB LYS 29 -5.478 6.060 -8.659 225 HB3 LYS 29 2HB LYS 29 -5.376 7.549 -7.730 226 HG2 LYS 29 1HG LYS 29 -4.209 7.050 -10.457 227 HG3 LYS 29 2HG LYS 29 -5.604 8.061 -10.068 228 HD2 LYS 29 1HD LYS 29 -2.797 8.524 -9.075 229 HD3 LYS 29 2HD LYS 29 -3.539 9.373 -10.432 230 HE2 LYS 29 1HE LYS 29 -5.245 10.275 -8.943 231 HE3 LYS 29 2HE LYS 29 -4.544 9.393 -7.587 232 HZ1 LYS 29 3HZ LYS 29 -3.223 11.555 -9.140 233 HZ2 LYS 29 1HZ LYS 29 -2.500 10.683 -7.876 234 HZ3 LYS 29 2HZ LYS 29 -3.828 11.684 -7.563 235 HA PRO 30 HA PRO 30 -5.336 4.990 -4.243 236 HB2 PRO 30 1HB PRO 30 -5.234 2.243 -4.384 237 HB3 PRO 30 2HB PRO 30 -6.619 3.226 -4.874 238 HG2 PRO 30 1HG PRO 30 -4.483 1.988 -6.546 239 HG3 PRO 30 2HG PRO 30 -6.213 2.171 -6.886 240 HD2 PRO 30 1HD PRO 30 -4.335 3.764 -7.998 241 HD3 PRO 30 2HD PRO 30 -5.962 4.357 -7.607 242 H PHE 31 H PHE 31 -2.476 3.688 -5.772 243 HA PHE 31 HA PHE 31 -1.267 2.692 -3.399 244 HB2 PHE 31 1HB PHE 31 -0.197 3.375 -6.132 245 HB3 PHE 31 2HB PHE 31 0.849 2.816 -4.829 246 HD1 PHE 31 HD1 PHE 31 -2.055 1.883 -6.917 247 HD2 PHE 31 HD2 PHE 31 1.030 0.541 -4.317 248 HE1 PHE 31 HE1 PHE 31 -2.576 -0.447 -7.509 249 HE2 PHE 31 HE2 PHE 31 0.515 -1.790 -4.904 250 HZ PHE 31 HZ PHE 31 -1.292 -2.287 -6.500 251 H GLU 32 H GLU 32 -0.856 5.682 -5.284 252 HA GLU 32 HA GLU 32 0.988 6.784 -3.397 253 HB2 GLU 32 1HB GLU 32 0.639 8.922 -4.621 254 HB3 GLU 32 2HB GLU 32 1.129 7.582 -5.643 255 HG2 GLU 32 1HG GLU 32 -1.039 7.359 -6.548 256 HG3 GLU 32 2HG GLU 32 -1.728 8.442 -5.337 257 H ASP 33 H ASP 33 -2.467 6.785 -3.757 258 HA ASP 33 HA ASP 33 -3.039 8.841 -1.907 259 HB2 ASP 33 1HB ASP 33 -4.707 7.817 -3.471 260 HB3 ASP 33 2HB ASP 33 -4.712 6.379 -2.445 261 H LEU 34 H LEU 34 -2.451 5.376 -1.535 262 HA LEU 34 HA LEU 34 -2.801 5.303 1.265 263 HB2 LEU 34 1HB LEU 34 -1.142 3.579 -0.571 264 HB3 LEU 34 2HB LEU 34 -1.350 3.258 1.141 265 HG LEU 34 HG LEU 34 -3.506 3.239 -0.972 266 HD11 LEU 34 1HD1 LEU 34 -3.675 0.875 -0.433 267 HD12 LEU 34 2HD1 LEU 34 -2.368 1.037 0.740 268 HD13 LEU 34 3HD1 LEU 34 -2.047 1.281 -0.977 269 HD21 LEU 34 3HD2 LEU 34 -5.011 2.522 0.828 270 HD22 LEU 34 1HD2 LEU 34 -4.394 4.153 1.097 271 HD23 LEU 34 2HD2 LEU 34 -3.724 2.796 2.003 272 H VAL 35 H VAL 35 -0.129 6.234 -0.799 273 HA VAL 35 HA VAL 35 1.857 6.457 1.194 274 HB VAL 35 HB VAL 35 1.484 8.085 -1.332 275 HG11 VAL 35 1HG1 VAL 35 2.903 9.284 0.245 276 HG12 VAL 35 2HG1 VAL 35 3.852 8.672 -1.110 277 HG13 VAL 35 3HG1 VAL 35 3.908 7.849 0.448 278 HG21 VAL 35 3HG2 VAL 35 3.229 6.607 -2.235 279 HG22 VAL 35 1HG2 VAL 35 1.775 5.724 -1.772 280 HG23 VAL 35 2HG2 VAL 35 3.200 5.681 -0.733 281 H ASP 36 H ASP 36 -0.594 8.686 0.002 282 HA ASP 36 HA ASP 36 0.051 10.891 1.627 283 HB2 ASP 36 1HB ASP 36 -1.423 11.054 -0.333 284 HB3 ASP 36 2HB ASP 36 -2.632 10.066 0.487 285 H LEU 37 H LEU 37 -2.006 8.084 2.139 286 HA LEU 37 HA LEU 37 -2.979 8.931 4.684 287 HB2 LEU 37 1HB LEU 37 -2.908 6.201 3.398 288 HB3 LEU 37 2HB LEU 37 -3.785 6.599 4.864 289 HG LEU 37 HG LEU 37 -4.327 7.740 2.122 290 HD11 LEU 37 1HD1 LEU 37 -5.001 5.405 2.327 291 HD12 LEU 37 2HD1 LEU 37 -6.406 6.470 2.248 292 HD13 LEU 37 3HD1 LEU 37 -5.903 5.787 3.794 293 HD21 LEU 37 3HD2 LEU 37 -6.288 8.763 3.161 294 HD22 LEU 37 1HD2 LEU 37 -4.794 9.354 3.889 295 HD23 LEU 37 2HD2 LEU 37 -5.774 8.157 4.736 296 H GLY 38 H GLY 38 -0.086 7.434 3.593 297 HA2 GLY 38 1HA GLY 38 1.861 7.351 4.932 298 HA3 GLY 38 2HA GLY 38 0.844 7.303 6.367 299 H TRP 39 H TRP 39 -0.132 5.188 3.873 300 HA TRP 39 HA TRP 39 0.701 2.891 5.476 301 HB2 TRP 39 1HB TRP 39 -1.149 3.178 3.104 302 HB3 TRP 39 2HB TRP 39 -0.745 1.625 3.834 303 HD1 TRP 39 HD1 TRP 39 -1.157 4.285 6.428 304 HE1 TRP 39 HE1 TRP 39 -3.441 4.024 7.603 305 HE3 TRP 39 HE3 TRP 39 -3.335 0.918 3.246 306 HZ2 TRP 39 HZ2 TRP 39 -5.816 2.600 7.226 307 HZ3 TRP 39 HZ3 TRP 39 -5.625 0.158 3.731 308 HH2 TRP 39 HH2 TRP 39 -6.841 0.981 5.681 309 H LEU 40 H LEU 40 1.225 4.359 2.359 310 HA LEU 40 HA LEU 40 3.323 2.368 1.808 311 HB2 LEU 40 1HB LEU 40 1.470 3.816 -0.066 312 HB3 LEU 40 2HB LEU 40 2.981 3.126 -0.625 313 HG LEU 40 HG LEU 40 0.748 1.562 0.677 314 HD11 LEU 40 1HD1 LEU 40 1.592 1.746 -2.214 315 HD12 LEU 40 2HD1 LEU 40 0.105 2.395 -1.524 316 HD13 LEU 40 3HD1 LEU 40 0.372 0.652 -1.563 317 HD21 LEU 40 3HD2 LEU 40 2.958 0.602 1.063 318 HD22 LEU 40 1HD2 LEU 40 3.303 0.678 -0.666 319 HD23 LEU 40 2HD2 LEU 40 2.032 -0.389 -0.065 320 H LYS 41 H LYS 41 5.156 3.173 0.576 321 HA LYS 41 HA LYS 41 5.555 6.072 0.668 322 HB2 LYS 41 1HB LYS 41 6.554 5.019 2.722 323 HB3 LYS 41 2HB LYS 41 7.615 4.090 1.665 324 HG2 LYS 41 1HG LYS 41 8.632 6.122 0.844 325 HG3 LYS 41 2HG LYS 41 7.514 7.098 1.804 326 HD2 LYS 41 1HD LYS 41 8.441 6.032 3.852 327 HD3 LYS 41 2HD LYS 41 9.631 5.212 2.838 328 HE2 LYS 41 1HE LYS 41 10.455 7.395 2.067 329 HE3 LYS 41 2HE LYS 41 9.287 8.197 3.115 330 HZ1 LYS 41 3HZ LYS 41 10.389 7.076 5.021 331 HZ2 LYS 41 1HZ LYS 41 11.390 8.172 4.195 332 HZ3 LYS 41 2HZ LYS 41 11.579 6.504 3.951 333 H ARG 42 H ARG 42 6.201 6.744 -1.285 334 HA ARG 42 HA ARG 42 7.213 4.766 -3.169 335 HB2 ARG 42 1HB ARG 42 6.966 6.704 -4.812 336 HB3 ARG 42 2HB ARG 42 5.483 6.042 -4.139 337 HG2 ARG 42 1HG ARG 42 5.138 7.905 -2.775 338 HG3 ARG 42 2HG ARG 42 6.811 8.450 -2.939 339 HD2 ARG 42 1HD ARG 42 5.226 9.832 -4.229 340 HD3 ARG 42 2HD ARG 42 6.433 9.051 -5.247 341 HE ARG 42 HE ARG 42 4.362 7.332 -5.372 342 HH11 ARG 42 1HH1 ARG 42 4.591 10.799 -5.858 343 HH12 ARG 42 2HH1 ARG 42 3.269 10.846 -6.991 344 HH21 ARG 42 1HH2 ARG 42 2.670 7.389 -6.896 345 HH22 ARG 42 2HH2 ARG 42 2.167 8.912 -7.572 346 H SER 43 H SER 43 9.336 4.437 -2.844 347 HA SER 43 HA SER 43 11.080 6.707 -2.333 348 HB2 SER 43 1HB SER 43 11.787 3.771 -2.545 349 HB3 SER 43 2HB SER 43 12.807 5.056 -1.897 350 HG SER 43 HG SER 43 11.890 4.184 -0.130 351 H SER 44 H SER 44 11.485 3.880 -4.487 352 HA SER 44 HA SER 44 12.964 5.513 -6.352 353 HB2 SER 44 1HB SER 44 13.467 3.067 -5.805 354 HB3 SER 44 2HB SER 44 12.055 2.660 -6.780 355 HG SER 44 HG SER 44 13.055 3.484 -8.591 356 H VAL 45 H VAL 45 11.511 7.023 -7.117 357 HA VAL 45 HA VAL 45 9.077 6.094 -8.427 358 HB VAL 45 HB VAL 45 10.085 8.934 -8.164 359 HG11 VAL 45 1HG1 VAL 45 8.463 8.643 -9.948 360 HG12 VAL 45 2HG1 VAL 45 7.747 9.541 -8.611 361 HG13 VAL 45 3HG1 VAL 45 7.357 7.836 -8.837 362 HG21 VAL 45 3HG2 VAL 45 8.474 9.153 -6.313 363 HG22 VAL 45 1HG2 VAL 45 9.762 8.004 -5.952 364 HG23 VAL 45 2HG2 VAL 45 8.161 7.418 -6.404 365 H ASP 46 H ASP 46 9.988 4.982 -10.166 366 HA ASP 46 HA ASP 46 11.574 6.549 -12.058 367 HB2 ASP 46 1HB ASP 46 10.955 3.588 -12.025 368 HB3 ASP 46 2HB ASP 46 12.010 4.399 -13.182 369 H SER 47 H SER 47 11.050 6.464 -14.324 370 HA SER 47 HA SER 47 8.279 7.032 -14.750 371 HB2 SER 47 1HB SER 47 10.512 6.824 -16.782 372 HB3 SER 47 2HB SER 47 8.968 7.652 -16.991 373 HG SER 47 HG SER 47 9.801 8.800 -14.926 374 H ARG 48 H ARG 48 10.039 4.180 -14.779 375 HA ARG 48 HA ARG 48 8.379 2.832 -16.738 376 HB2 ARG 48 1HB ARG 48 10.402 1.775 -14.753 377 HB3 ARG 48 2HB ARG 48 9.488 0.751 -15.846 378 HG2 ARG 48 1HG ARG 48 11.577 1.013 -16.851 379 HG3 ARG 48 2HG ARG 48 10.512 2.107 -17.732 380 HD2 ARG 48 1HD ARG 48 11.432 4.003 -16.711 381 HD3 ARG 48 2HD ARG 48 12.171 3.057 -15.419 382 HE ARG 48 HE ARG 48 13.303 2.172 -17.787 383 HH11 ARG 48 1HH1 ARG 48 13.122 5.221 -16.063 384 HH12 ARG 48 2HH1 ARG 48 14.704 5.736 -16.555 385 HH21 ARG 48 1HH2 ARG 48 15.389 2.851 -18.422 386 HH22 ARG 48 2HH2 ARG 48 15.989 4.396 -17.885 387 H ALA 49 H ALA 49 9.057 1.989 -13.374 388 HA ALA 49 HA ALA 49 6.193 2.032 -12.763 389 HB1 ALA 49 3HB ALA 49 6.326 -0.148 -11.663 390 HB2 ALA 49 1HB ALA 49 8.005 -0.311 -12.179 391 HB3 ALA 49 2HB ALA 49 6.712 -0.280 -13.379 392 H THR 50 H THR 50 5.843 3.062 -10.909 393 HA THR 50 HA THR 50 8.036 3.964 -9.297 394 HB THR 50 HB THR 50 5.069 4.193 -8.751 395 HG1 THR 50 HG1 THR 50 6.836 5.668 -10.393 396 HG21 THR 50 3HG2 THR 50 6.478 4.678 -6.804 397 HG22 THR 50 1HG2 THR 50 5.713 6.147 -7.412 398 HG23 THR 50 2HG2 THR 50 7.412 5.829 -7.760 399 H HIS 51 H HIS 51 8.842 3.033 -7.509 400 HA HIS 51 HA HIS 51 7.689 0.492 -6.673 401 HB2 HIS 51 1HB HIS 51 10.270 1.840 -5.841 402 HB3 HIS 51 2HB HIS 51 9.764 0.224 -5.357 403 HD1 HIS 51 HD1 HIS 51 10.591 -1.637 -6.795 404 HD2 HIS 51 HD2 HIS 51 10.682 2.033 -8.758 405 HE1 HIS 51 HE1 HIS 51 11.743 -2.062 -8.990 406 HE2 HIS 51 HE2 HIS 51 11.982 0.210 -10.053 407 H TYR 52 H TYR 52 6.245 0.453 -5.103 408 HA TYR 52 HA TYR 52 6.371 2.478 -2.985 409 HB2 TYR 52 1HB TYR 52 4.180 0.564 -3.814 410 HB3 TYR 52 2HB TYR 52 4.092 1.588 -2.378 411 HD1 TYR 52 HD1 TYR 52 4.001 1.525 -6.043 412 HD2 TYR 52 HD2 TYR 52 3.792 3.960 -2.567 413 HE1 TYR 52 HE1 TYR 52 3.114 3.374 -7.402 414 HE2 TYR 52 HE2 TYR 52 2.906 5.817 -3.914 415 HH TYR 52 HH TYR 52 1.706 5.438 -7.001 416 H GLN 53 H GLN 53 6.790 1.930 -0.899 417 HA GLN 53 HA GLN 53 7.094 -0.941 -0.330 418 HB2 GLN 53 1HB GLN 53 9.265 0.291 -0.520 419 HB3 GLN 53 2HB GLN 53 8.765 1.282 0.848 420 HG2 GLN 53 1HG GLN 53 8.743 -0.623 2.298 421 HG3 GLN 53 2HG GLN 53 9.034 -1.713 0.939 422 HE21 GLN 53 2HE2 GLN 53 10.418 0.633 3.083 423 HE22 GLN 53 1HE2 GLN 53 12.075 0.308 2.696 424 H ILE 54 H ILE 54 6.419 -1.674 1.626 425 HA ILE 54 HA ILE 54 4.228 -0.390 2.834 426 HB ILE 54 HB ILE 54 4.417 -2.199 4.554 427 HG12 ILE 54 1HG1 ILE 54 6.787 -3.018 2.852 428 HG13 ILE 54 2HG1 ILE 54 6.864 -2.442 4.513 429 HG21 ILE 54 1HG2 ILE 54 3.095 -2.472 2.532 430 HG22 ILE 54 2HG2 ILE 54 3.858 -3.996 2.990 431 HG23 ILE 54 3HG2 ILE 54 4.520 -3.042 1.662 432 HD11 ILE 54 3HD1 ILE 54 5.543 -4.980 3.585 433 HD12 ILE 54 1HD1 ILE 54 5.619 -4.402 5.250 434 HD13 ILE 54 2HD1 ILE 54 7.100 -4.849 4.403 435 H THR 55 H THR 55 3.982 0.786 4.660 436 HA THR 55 HA THR 55 6.384 1.499 6.187 437 HB THR 55 HB THR 55 5.013 3.294 7.150 438 HG1 THR 55 HG1 THR 55 2.868 3.587 6.282 439 HG21 THR 55 3HG2 THR 55 4.788 3.199 4.138 440 HG22 THR 55 1HG2 THR 55 6.199 3.742 5.045 441 HG23 THR 55 2HG2 THR 55 4.688 4.647 5.139 442 H GLU 56 H GLU 56 5.332 2.109 8.627 443 HA GLU 56 HA GLU 56 4.773 -0.476 9.733 444 HB2 GLU 56 1HB GLU 56 4.684 2.217 11.102 445 HB3 GLU 56 2HB GLU 56 4.762 0.646 11.888 446 HG2 GLU 56 1HG GLU 56 6.958 0.308 10.673 447 HG3 GLU 56 2HG GLU 56 6.885 2.023 10.277 448 H ARG 57 H ARG 57 2.963 2.472 9.051 449 HA ARG 57 HA ARG 57 0.483 1.642 10.105 450 HB2 ARG 57 1HB ARG 57 1.080 3.456 7.760 451 HB3 ARG 57 2HB ARG 57 -0.520 3.237 8.460 452 HG2 ARG 57 1HG ARG 57 0.319 4.128 10.594 453 HG3 ARG 57 2HG ARG 57 1.892 4.405 9.836 454 HD2 ARG 57 1HD ARG 57 0.819 5.881 8.188 455 HD3 ARG 57 2HD ARG 57 -0.735 5.623 8.985 456 HE ARG 57 HE ARG 57 1.250 6.613 10.789 457 HH11 ARG 57 1HH1 ARG 57 -1.012 7.567 8.284 458 HH12 ARG 57 2HH1 ARG 57 -1.169 9.197 8.864 459 HH21 ARG 57 1HH2 ARG 57 1.060 8.778 11.537 460 HH22 ARG 57 2HH2 ARG 57 0.028 9.887 10.695 461 H GLY 58 H GLY 58 1.976 1.239 6.929 462 HA2 GLY 58 1HA GLY 58 -0.151 -0.139 5.694 463 HA3 GLY 58 2HA GLY 58 1.543 -0.224 5.214 464 H THR 59 H THR 59 2.438 -1.226 7.788 465 HA THR 59 HA THR 59 1.936 -4.010 7.432 466 HB THR 59 HB THR 59 3.345 -2.562 9.683 467 HG1 THR 59 HG1 THR 59 4.575 -2.250 7.902 468 HG21 THR 59 3HG2 THR 59 3.397 -5.490 8.933 469 HG22 THR 59 1HG2 THR 59 2.612 -4.806 10.357 470 HG23 THR 59 2HG2 THR 59 4.366 -4.727 10.195 471 H SER 60 H SER 60 0.923 -1.582 9.796 472 HA SER 60 HA SER 60 -0.556 -3.319 11.461 473 HB2 SER 60 1HB SER 60 0.183 -1.038 12.122 474 HB3 SER 60 2HB SER 60 -0.980 -0.355 10.982 475 HG SER 60 HG SER 60 -1.590 -2.010 13.222 476 H ALA 61 H ALA 61 -1.363 -1.513 8.551 477 HA ALA 61 HA ALA 61 -4.151 -1.973 8.586 478 HB1 ALA 61 3HB ALA 61 -2.335 -1.507 6.225 479 HB2 ALA 61 1HB ALA 61 -3.109 -0.254 7.195 480 HB3 ALA 61 2HB ALA 61 -4.092 -1.352 6.226 481 H ALA 62 H ALA 62 -1.436 -3.878 7.485 482 HA ALA 62 HA ALA 62 -3.012 -5.838 6.110 483 HB1 ALA 62 3HB ALA 62 -0.951 -7.148 6.035 484 HB2 ALA 62 1HB ALA 62 -0.184 -6.009 7.144 485 HB3 ALA 62 2HB ALA 62 -0.670 -5.480 5.532 486 H LEU 63 H LEU 63 -1.665 -5.478 9.336 487 HA LEU 63 HA LEU 63 -2.423 -8.067 10.251 488 HB2 LEU 63 1HB LEU 63 -0.654 -6.714 11.322 489 HB3 LEU 63 2HB LEU 63 -1.869 -5.552 11.834 490 HG LEU 63 HG LEU 63 -2.917 -7.263 13.253 491 HD11 LEU 63 1HD1 LEU 63 -0.625 -9.016 12.376 492 HD12 LEU 63 2HD1 LEU 63 -2.320 -9.235 11.943 493 HD13 LEU 63 3HD1 LEU 63 -1.810 -9.405 13.623 494 HD21 LEU 63 3HD2 LEU 63 -1.207 -5.810 14.201 495 HD22 LEU 63 1HD2 LEU 63 0.048 -6.947 13.707 496 HD23 LEU 63 2HD2 LEU 63 -1.139 -7.418 14.924 497 H ARG 64 H ARG 64 -4.055 -5.083 9.811 498 HA ARG 64 HA ARG 64 -6.245 -5.524 11.563 499 HB2 ARG 64 1HB ARG 64 -5.682 -3.303 10.629 500 HB3 ARG 64 2HB ARG 64 -6.116 -3.878 9.025 501 HG2 ARG 64 1HG ARG 64 -7.893 -2.535 10.021 502 HG3 ARG 64 2HG ARG 64 -8.416 -4.197 9.735 503 HD2 ARG 64 1HD ARG 64 -7.925 -4.714 12.101 504 HD3 ARG 64 2HD ARG 64 -7.522 -3.018 12.360 505 HE ARG 64 HE ARG 64 -9.996 -2.801 11.407 506 HH11 ARG 64 1HH1 ARG 64 -8.685 -5.056 13.741 507 HH12 ARG 64 2HH1 ARG 64 -10.139 -5.118 14.694 508 HH21 ARG 64 1HH2 ARG 64 -11.909 -2.859 12.670 509 HH22 ARG 64 2HH2 ARG 64 -11.978 -3.886 14.077 510 H SER 65 H SER 65 -7.782 -7.014 11.375 511 HA SER 65 HA SER 65 -8.823 -7.678 8.751 512 HB2 SER 65 1HB SER 65 -7.762 -9.839 10.588 513 HB3 SER 65 2HB SER 65 -8.553 -10.086 9.031 514 HG SER 65 HG SER 65 -6.567 -8.383 8.637 Start of MODEL 2 1 H1 MET 1 1H MET 1 -9.517 9.230 4.280 2 H2 MET 1 2H MET 1 -8.822 8.528 2.900 3 H3 MET 1 3H MET 1 -8.618 7.801 4.420 4 HA MET 1 HA MET 1 -10.880 7.212 4.563 5 HB2 MET 1 1HB MET 1 -11.133 8.856 2.044 6 HB3 MET 1 2HB MET 1 -12.351 7.677 2.520 7 HG2 MET 1 1HG MET 1 -13.016 9.898 3.188 8 HG3 MET 1 2HG MET 1 -12.711 8.897 4.609 9 HE1 MET 1 3HE MET 1 -12.967 12.076 4.674 10 HE2 MET 1 1HE MET 1 -11.646 12.495 5.765 11 HE3 MET 1 2HE MET 1 -12.669 11.101 6.112 12 H ALA 2 H ALA 2 -10.184 5.161 4.436 13 HA ALA 2 HA ALA 2 -9.453 4.129 1.775 14 HB1 ALA 2 3HB ALA 2 -7.682 3.908 3.437 15 HB2 ALA 2 1HB ALA 2 -8.292 2.324 2.958 16 HB3 ALA 2 2HB ALA 2 -8.778 3.025 4.502 17 H THR 3 H THR 3 -10.583 2.476 0.899 18 HA THR 3 HA THR 3 -12.957 1.572 2.373 19 HB THR 3 HB THR 3 -13.264 2.555 0.087 20 HG1 THR 3 HG1 THR 3 -14.850 1.142 -0.376 21 HG21 THR 3 3HG2 THR 3 -11.234 1.691 -0.973 22 HG22 THR 3 1HG2 THR 3 -12.673 1.205 -1.871 23 HG23 THR 3 2HG2 THR 3 -11.851 0.045 -0.826 24 H ALA 4 H ALA 4 -13.561 -0.808 1.655 25 HA ALA 4 HA ALA 4 -11.767 -2.506 2.942 26 HB1 ALA 4 3HB ALA 4 -14.157 -2.969 2.714 27 HB2 ALA 4 1HB ALA 4 -13.176 -4.332 2.175 28 HB3 ALA 4 2HB ALA 4 -13.932 -3.266 0.991 29 H ASP 5 H ASP 5 -12.192 -1.837 -0.487 30 HA ASP 5 HA ASP 5 -10.490 -3.826 -1.496 31 HB2 ASP 5 1HB ASP 5 -12.003 -2.553 -2.938 32 HB3 ASP 5 2HB ASP 5 -11.075 -1.083 -2.631 33 H ASP 6 H ASP 6 -9.842 -0.585 -0.295 34 HA ASP 6 HA ASP 6 -7.135 -0.462 -1.111 35 HB2 ASP 6 1HB ASP 6 -8.505 0.990 1.167 36 HB3 ASP 6 2HB ASP 6 -6.924 1.398 0.500 37 H PHE 7 H PHE 7 -8.733 -1.622 1.809 38 HA PHE 7 HA PHE 7 -6.432 -2.149 3.309 39 HB2 PHE 7 1HB PHE 7 -9.215 -3.275 3.350 40 HB3 PHE 7 2HB PHE 7 -7.964 -3.910 4.416 41 HD1 PHE 7 HD2 PHE 7 -6.962 -2.468 6.144 42 HD2 PHE 7 HD1 PHE 7 -10.233 -1.166 3.755 43 HE1 PHE 7 HE2 PHE 7 -7.408 -0.657 7.748 44 HE2 PHE 7 HE1 PHE 7 -10.685 0.648 5.354 45 HZ PHE 7 HZ PHE 7 -9.271 0.905 7.355 46 H LYS 8 H LYS 8 -8.127 -4.039 0.882 47 HA LYS 8 HA LYS 8 -6.459 -6.347 1.146 48 HB2 LYS 8 1HB LYS 8 -8.253 -5.416 -1.098 49 HB3 LYS 8 2HB LYS 8 -7.389 -6.946 -1.115 50 HG2 LYS 8 1HG LYS 8 -8.595 -7.634 0.910 51 HG3 LYS 8 2HG LYS 8 -9.492 -6.110 0.871 52 HD2 LYS 8 1HD LYS 8 -10.426 -6.686 -1.292 53 HD3 LYS 8 2HD LYS 8 -9.479 -8.175 -1.329 54 HE2 LYS 8 1HE LYS 8 -11.777 -8.632 -0.679 55 HE3 LYS 8 2HE LYS 8 -10.672 -8.979 0.650 56 HZ1 LYS 8 3HZ LYS 8 -12.665 -7.798 1.377 57 HZ2 LYS 8 1HZ LYS 8 -12.275 -6.492 0.368 58 HZ3 LYS 8 2HZ LYS 8 -11.266 -6.893 1.675 59 H LEU 9 H LEU 9 -6.404 -3.422 -0.769 60 HA LEU 9 HA LEU 9 -4.380 -4.174 -2.579 61 HB2 LEU 9 1HB LEU 9 -5.988 -2.256 -2.811 62 HB3 LEU 9 2HB LEU 9 -5.045 -1.389 -1.613 63 HG LEU 9 HG LEU 9 -3.729 -2.374 -4.126 64 HD11 LEU 9 1HD1 LEU 9 -5.716 -1.174 -4.860 65 HD12 LEU 9 2HD1 LEU 9 -4.260 -0.233 -5.185 66 HD13 LEU 9 3HD1 LEU 9 -5.295 0.185 -3.818 67 HD21 LEU 9 3HD2 LEU 9 -3.260 -0.000 -2.319 68 HD22 LEU 9 1HD2 LEU 9 -2.299 -0.428 -3.736 69 HD23 LEU 9 2HD2 LEU 9 -2.322 -1.494 -2.331 70 H ILE 10 H ILE 10 -4.242 -2.429 0.523 71 HA ILE 10 HA ILE 10 -1.429 -2.059 0.456 72 HB ILE 10 HB ILE 10 -2.863 -0.670 1.882 73 HG12 ILE 10 1HG1 ILE 10 -1.480 -0.765 3.957 74 HG13 ILE 10 2HG1 ILE 10 -0.796 -2.284 3.386 75 HG21 ILE 10 1HG2 ILE 10 -4.467 -2.360 2.583 76 HG22 ILE 10 2HG2 ILE 10 -3.783 -1.511 3.969 77 HG23 ILE 10 3HG2 ILE 10 -3.228 -3.137 3.568 78 HD11 ILE 10 3HD1 ILE 10 0.117 -1.135 1.438 79 HD12 ILE 10 1HD1 ILE 10 0.699 -0.431 2.947 80 HD13 ILE 10 2HD1 ILE 10 -0.559 0.386 2.020 81 H ARG 11 H ARG 11 -3.471 -4.686 1.518 82 HA ARG 11 HA ARG 11 -1.417 -6.143 2.852 83 HB2 ARG 11 1HB ARG 11 -3.839 -6.568 3.194 84 HB3 ARG 11 2HB ARG 11 -3.941 -7.187 1.551 85 HG2 ARG 11 1HG ARG 11 -2.368 -8.970 2.133 86 HG3 ARG 11 2HG ARG 11 -2.287 -8.350 3.784 87 HD2 ARG 11 1HD ARG 11 -4.719 -8.718 3.998 88 HD3 ARG 11 2HD ARG 11 -4.730 -9.425 2.382 89 HE ARG 11 HE ARG 11 -2.820 -10.759 3.957 90 HH11 ARG 11 1HH1 ARG 11 -6.269 -10.410 3.568 91 HH12 ARG 11 2HH1 ARG 11 -6.649 -11.936 4.301 92 HH21 ARG 11 1HH2 ARG 11 -3.297 -12.790 4.923 93 HH22 ARG 11 2HH2 ARG 11 -4.959 -13.292 5.065 94 H ASP 12 H ASP 12 -2.633 -5.974 -0.426 95 HA ASP 12 HA ASP 12 -1.301 -8.137 -1.582 96 HB2 ASP 12 1HB ASP 12 -3.068 -6.827 -2.707 97 HB3 ASP 12 2HB ASP 12 -1.963 -5.457 -2.832 98 H ILE 13 H ILE 13 -0.205 -4.886 -0.856 99 HA ILE 13 HA ILE 13 2.206 -4.833 -2.215 100 HB ILE 13 HB ILE 13 1.893 -3.725 0.570 101 HG12 ILE 13 1HG1 ILE 13 -0.107 -3.105 -0.720 102 HG13 ILE 13 2HG1 ILE 13 0.913 -1.705 -0.417 103 HG21 ILE 13 1HG2 ILE 13 3.368 -1.954 -0.303 104 HG22 ILE 13 2HG2 ILE 13 3.459 -2.812 -1.842 105 HG23 ILE 13 3HG2 ILE 13 4.111 -3.551 -0.378 106 HD11 ILE 13 3HD1 ILE 13 0.025 -1.692 -2.675 107 HD12 ILE 13 1HD1 ILE 13 0.768 -3.260 -2.985 108 HD13 ILE 13 2HD1 ILE 13 1.782 -1.847 -2.687 109 H HIS 14 H HIS 14 1.387 -6.206 0.921 110 HA HIS 14 HA HIS 14 4.024 -7.034 1.601 111 HB2 HIS 14 1HB HIS 14 1.333 -8.004 2.590 112 HB3 HIS 14 2HB HIS 14 2.879 -8.455 3.299 113 HD1 HIS 14 HD1 HIS 14 4.023 -6.729 4.830 114 HD2 HIS 14 HD2 HIS 14 0.475 -5.413 3.109 115 HE1 HIS 14 HE1 HIS 14 3.456 -4.571 6.000 116 HE2 HIS 14 HE2 HIS 14 1.195 -3.919 5.095 117 H SER 15 H SER 15 1.287 -8.536 -0.004 118 HA SER 15 HA SER 15 2.319 -11.150 -0.169 119 HB2 SER 15 1HB SER 15 0.412 -9.817 -2.101 120 HB3 SER 15 2HB SER 15 0.555 -11.542 -1.761 121 HG SER 15 HG SER 15 -0.128 -11.083 0.395 122 H THR 16 H THR 16 3.027 -8.272 -1.935 123 HA THR 16 HA THR 16 4.266 -9.740 -4.132 124 HB THR 16 HB THR 16 4.228 -6.739 -3.775 125 HG1 THR 16 HG1 THR 16 2.060 -7.437 -3.706 126 HG21 THR 16 3HG2 THR 16 4.366 -8.508 -6.224 127 HG22 THR 16 1HG2 THR 16 5.714 -7.620 -5.517 128 HG23 THR 16 2HG2 THR 16 4.358 -6.744 -6.225 129 H GLY 17 H GLY 17 5.205 -9.403 -1.168 130 HA2 GLY 17 1HA GLY 17 7.441 -9.991 -0.559 131 HA3 GLY 17 2HA GLY 17 8.023 -9.066 -1.938 132 H GLY 18 H GLY 18 5.598 -7.389 -0.344 133 HA2 GLY 18 1HA GLY 18 5.664 -5.902 1.488 134 HA3 GLY 18 2HA GLY 18 7.406 -6.147 1.593 135 H ARG 19 H ARG 19 6.825 -5.750 -1.571 136 HA ARG 19 HA ARG 19 6.683 -2.845 -1.574 137 HB2 ARG 19 1HB ARG 19 9.084 -3.401 -1.320 138 HB3 ARG 19 2HB ARG 19 9.000 -4.361 -2.793 139 HG2 ARG 19 1HG ARG 19 8.515 -2.385 -4.095 140 HG3 ARG 19 2HG ARG 19 8.472 -1.401 -2.630 141 HD2 ARG 19 1HD ARG 19 10.600 -1.129 -3.749 142 HD3 ARG 19 2HD ARG 19 10.827 -1.955 -2.209 143 HE ARG 19 HE ARG 19 10.595 -3.988 -4.006 144 HH11 ARG 19 1HH1 ARG 19 12.660 -1.169 -3.716 145 HH12 ARG 19 2HH1 ARG 19 13.983 -1.886 -4.584 146 HH21 ARG 19 1HH2 ARG 19 12.346 -4.952 -5.122 147 HH22 ARG 19 2HH2 ARG 19 13.813 -4.048 -5.369 148 H ARG 20 H ARG 20 5.549 -2.143 -3.293 149 HA ARG 20 HA ARG 20 5.101 -4.064 -5.487 150 HB2 ARG 20 1HB ARG 20 3.106 -3.701 -4.026 151 HB3 ARG 20 2HB ARG 20 3.137 -1.998 -4.473 152 HG2 ARG 20 1HG ARG 20 1.492 -3.102 -5.808 153 HG3 ARG 20 2HG ARG 20 2.853 -2.681 -6.851 154 HD2 ARG 20 1HD ARG 20 3.718 -5.006 -6.499 155 HD3 ARG 20 2HD ARG 20 2.200 -5.379 -5.681 156 HE ARG 20 HE ARG 20 1.983 -4.301 -8.375 157 HH11 ARG 20 1HH1 ARG 20 1.948 -7.115 -6.285 158 HH12 ARG 20 2HH1 ARG 20 1.259 -8.154 -7.491 159 HH21 ARG 20 1HH2 ARG 20 1.084 -5.670 -9.963 160 HH22 ARG 20 2HH2 ARG 20 0.791 -7.342 -9.593 161 H GLN 21 H GLN 21 5.886 -3.402 -7.371 162 HA GLN 21 HA GLN 21 6.392 -0.554 -7.786 163 HB2 GLN 21 1HB GLN 21 7.583 -1.314 -9.849 164 HB3 GLN 21 2HB GLN 21 8.247 -1.957 -8.350 165 HG2 GLN 21 1HG GLN 21 7.125 -4.081 -8.752 166 HG3 GLN 21 2HG GLN 21 6.425 -3.438 -10.240 167 HE21 GLN 21 2HE2 GLN 21 8.824 -1.971 -10.951 168 HE22 GLN 21 1HE2 GLN 21 9.980 -3.143 -11.499 169 H VAL 22 H VAL 22 4.835 0.621 -8.593 170 HA VAL 22 HA VAL 22 3.009 -0.597 -10.567 171 HB VAL 22 HB VAL 22 2.410 1.752 -8.761 172 HG11 VAL 22 1HG1 VAL 22 0.094 1.379 -9.425 173 HG12 VAL 22 2HG1 VAL 22 0.599 0.047 -10.464 174 HG13 VAL 22 3HG1 VAL 22 1.112 1.693 -10.831 175 HG21 VAL 22 3HG2 VAL 22 2.748 -0.275 -7.437 176 HG22 VAL 22 1HG2 VAL 22 1.570 -1.125 -8.438 177 HG23 VAL 22 2HG2 VAL 22 1.057 0.227 -7.428 178 H PHE 23 H PHE 23 2.768 0.403 -12.498 179 HA PHE 23 HA PHE 23 4.659 2.411 -13.241 180 HB2 PHE 23 1HB PHE 23 2.324 1.249 -14.776 181 HB3 PHE 23 2HB PHE 23 3.571 2.284 -15.464 182 HD1 PHE 23 HD2 PHE 23 5.868 1.458 -15.705 183 HD2 PHE 23 HD1 PHE 23 2.717 -1.061 -14.352 184 HE1 PHE 23 HE2 PHE 23 7.251 -0.520 -16.185 185 HE2 PHE 23 HE1 PHE 23 4.093 -3.044 -14.827 186 HZ PHE 23 HZ PHE 23 6.363 -2.776 -15.744 187 H GLY 24 H GLY 24 3.994 4.426 -14.379 188 HA2 GLY 24 1HA GLY 24 2.225 5.945 -12.713 189 HA3 GLY 24 2HA GLY 24 3.101 6.534 -14.123 190 H SER 25 H SER 25 0.218 4.907 -13.016 191 HA SER 25 HA SER 25 -1.268 5.960 -15.275 192 HB2 SER 25 1HB SER 25 -1.228 2.987 -14.667 193 HB3 SER 25 2HB SER 25 -2.234 3.782 -15.879 194 HG SER 25 HG SER 25 0.448 4.340 -16.103 195 H ARG 26 H ARG 26 -3.704 4.856 -14.892 196 HA ARG 26 HA ARG 26 -4.663 6.136 -12.596 197 HB2 ARG 26 1HB ARG 26 -6.794 5.055 -13.043 198 HB3 ARG 26 2HB ARG 26 -6.071 5.616 -14.542 199 HG2 ARG 26 1HG ARG 26 -5.394 3.385 -15.113 200 HG3 ARG 26 2HG ARG 26 -5.947 2.780 -13.550 201 HD2 ARG 26 1HD ARG 26 -8.245 3.457 -14.135 202 HD3 ARG 26 2HD ARG 26 -7.667 3.983 -15.717 203 HE ARG 26 HE ARG 26 -6.874 1.498 -15.821 204 HH11 ARG 26 1HH1 ARG 26 -9.876 2.737 -14.511 205 HH12 ARG 26 2HH1 ARG 26 -10.762 1.266 -14.802 206 HH21 ARG 26 1HH2 ARG 26 -8.034 -0.426 -16.238 207 HH22 ARG 26 2HH2 ARG 26 -9.707 -0.539 -15.769 208 H GLU 27 H GLU 27 -3.470 2.916 -13.053 209 HA GLU 27 HA GLU 27 -4.470 1.600 -10.819 210 HB2 GLU 27 1HB GLU 27 -1.879 1.355 -12.331 211 HB3 GLU 27 2HB GLU 27 -2.235 0.330 -10.950 212 HG2 GLU 27 1HG GLU 27 -2.739 -0.825 -12.996 213 HG3 GLU 27 2HG GLU 27 -4.224 -0.515 -12.095 214 H GLN 28 H GLN 28 -1.971 4.024 -11.061 215 HA GLN 28 HA GLN 28 -0.724 3.287 -8.568 216 HB2 GLN 28 1HB GLN 28 0.461 4.266 -10.605 217 HB3 GLN 28 2HB GLN 28 -0.222 5.818 -10.125 218 HG2 GLN 28 1HG GLN 28 0.909 5.658 -7.972 219 HG3 GLN 28 2HG GLN 28 1.575 4.094 -8.433 220 HE21 GLN 28 2HE2 GLN 28 3.201 4.000 -9.988 221 HE22 GLN 28 1HE2 GLN 28 4.137 5.396 -10.406 222 H LYS 29 H LYS 29 -3.301 5.328 -9.511 223 HA LYS 29 HA LYS 29 -3.068 7.478 -7.782 224 HB2 LYS 29 1HB LYS 29 -5.635 6.172 -8.681 225 HB3 LYS 29 2HB LYS 29 -5.469 7.808 -8.059 226 HG2 LYS 29 1HG LYS 29 -3.942 8.284 -9.982 227 HG3 LYS 29 2HG LYS 29 -4.377 6.705 -10.632 228 HD2 LYS 29 1HD LYS 29 -6.236 9.023 -10.109 229 HD3 LYS 29 2HD LYS 29 -5.718 8.420 -11.681 230 HE2 LYS 29 1HE LYS 29 -7.707 7.347 -11.582 231 HE3 LYS 29 2HE LYS 29 -6.762 6.168 -10.674 232 HZ1 LYS 29 3HZ LYS 29 -8.825 6.699 -9.541 233 HZ2 LYS 29 1HZ LYS 29 -8.417 8.343 -9.505 234 HZ3 LYS 29 2HZ LYS 29 -7.506 7.226 -8.617 235 HA PRO 30 HA PRO 30 -5.642 5.022 -4.401 236 HB2 PRO 30 1HB PRO 30 -5.182 2.302 -4.526 237 HB3 PRO 30 2HB PRO 30 -6.660 3.106 -5.065 238 HG2 PRO 30 1HG PRO 30 -4.312 2.183 -6.663 239 HG3 PRO 30 2HG PRO 30 -6.039 2.116 -7.061 240 HD2 PRO 30 1HD PRO 30 -4.424 3.966 -8.138 241 HD3 PRO 30 2HD PRO 30 -6.104 4.348 -7.697 242 H PHE 31 H PHE 31 -2.635 3.719 -5.709 243 HA PHE 31 HA PHE 31 -1.464 3.015 -3.234 244 HB2 PHE 31 1HB PHE 31 -0.255 3.646 -5.929 245 HB3 PHE 31 2HB PHE 31 0.687 3.086 -4.551 246 HD1 PHE 31 HD1 PHE 31 -2.111 2.150 -6.795 247 HD2 PHE 31 HD2 PHE 31 0.886 0.811 -4.093 248 HE1 PHE 31 HE1 PHE 31 -2.585 -0.178 -7.432 249 HE2 PHE 31 HE2 PHE 31 0.417 -1.520 -4.724 250 HZ PHE 31 HZ PHE 31 -1.319 -2.018 -6.395 251 H GLU 32 H GLU 32 -1.456 5.946 -5.180 252 HA GLU 32 HA GLU 32 0.500 7.327 -3.661 253 HB2 GLU 32 1HB GLU 32 -1.693 8.420 -5.429 254 HB3 GLU 32 2HB GLU 32 -0.350 9.357 -4.792 255 HG2 GLU 32 1HG GLU 32 1.179 7.752 -5.989 256 HG3 GLU 32 2HG GLU 32 -0.259 7.118 -6.787 257 H ASP 33 H ASP 33 -2.914 6.823 -3.252 258 HA ASP 33 HA ASP 33 -3.273 8.969 -1.389 259 HB2 ASP 33 1HB ASP 33 -5.160 7.984 -2.686 260 HB3 ASP 33 2HB ASP 33 -4.997 6.509 -1.725 261 H LEU 34 H LEU 34 -2.575 5.523 -1.154 262 HA LEU 34 HA LEU 34 -2.732 5.324 1.646 263 HB2 LEU 34 1HB LEU 34 -0.964 3.762 -0.240 264 HB3 LEU 34 2HB LEU 34 -1.378 3.312 1.406 265 HG LEU 34 HG LEU 34 -3.255 3.442 -0.954 266 HD11 LEU 34 1HD1 LEU 34 -3.478 1.038 -0.563 267 HD12 LEU 34 2HD1 LEU 34 -2.280 1.142 0.728 268 HD13 LEU 34 3HD1 LEU 34 -1.813 1.490 -0.937 269 HD21 LEU 34 3HD2 LEU 34 -3.853 2.765 1.924 270 HD22 LEU 34 1HD2 LEU 34 -4.975 2.618 0.573 271 HD23 LEU 34 2HD2 LEU 34 -4.391 4.208 1.064 272 H VAL 35 H VAL 35 -0.267 6.522 -0.502 273 HA VAL 35 HA VAL 35 1.883 6.715 1.289 274 HB VAL 35 HB VAL 35 1.133 8.570 -0.981 275 HG11 VAL 35 1HG1 VAL 35 2.692 9.649 0.559 276 HG12 VAL 35 2HG1 VAL 35 3.472 9.269 -0.976 277 HG13 VAL 35 3HG1 VAL 35 3.776 8.263 0.441 278 HG21 VAL 35 3HG2 VAL 35 1.456 6.265 -1.688 279 HG22 VAL 35 1HG2 VAL 35 3.025 6.226 -0.883 280 HG23 VAL 35 2HG2 VAL 35 2.769 7.288 -2.268 281 H ASP 36 H ASP 36 -0.846 8.848 0.662 282 HA ASP 36 HA ASP 36 -0.019 10.923 2.430 283 HB2 ASP 36 1HB ASP 36 -1.582 11.284 0.544 284 HB3 ASP 36 2HB ASP 36 -2.781 10.286 1.370 285 H LEU 37 H LEU 37 -2.000 8.053 2.737 286 HA LEU 37 HA LEU 37 -2.923 8.581 5.380 287 HB2 LEU 37 1HB LEU 37 -2.632 5.963 3.899 288 HB3 LEU 37 2HB LEU 37 -3.531 6.195 5.388 289 HG LEU 37 HG LEU 37 -4.205 7.458 2.730 290 HD11 LEU 37 1HD1 LEU 37 -4.599 5.055 2.741 291 HD12 LEU 37 2HD1 LEU 37 -6.123 5.943 2.747 292 HD13 LEU 37 3HD1 LEU 37 -5.528 5.204 4.233 293 HD21 LEU 37 3HD2 LEU 37 -6.293 8.118 3.849 294 HD22 LEU 37 1HD2 LEU 37 -4.875 8.875 4.580 295 HD23 LEU 37 2HD2 LEU 37 -5.653 7.505 5.375 296 H GLY 38 H GLY 38 0.010 7.379 4.034 297 HA2 GLY 38 1HA GLY 38 2.042 7.216 5.208 298 HA3 GLY 38 2HA GLY 38 1.137 7.108 6.716 299 H TRP 39 H TRP 39 0.123 5.132 4.078 300 HA TRP 39 HA TRP 39 0.951 2.757 5.576 301 HB2 TRP 39 1HB TRP 39 -0.904 3.080 3.206 302 HB3 TRP 39 2HB TRP 39 -0.562 1.550 4.014 303 HD1 TRP 39 HD1 TRP 39 -0.862 4.141 6.617 304 HE1 TRP 39 HE1 TRP 39 -3.208 4.101 7.685 305 HE3 TRP 39 HE3 TRP 39 -3.259 1.163 3.221 306 HZ2 TRP 39 HZ2 TRP 39 -5.709 2.968 7.167 307 HZ3 TRP 39 HZ3 TRP 39 -5.636 0.648 3.585 308 HH2 TRP 39 HH2 TRP 39 -6.839 1.530 5.518 309 H LEU 40 H LEU 40 1.409 4.392 2.526 310 HA LEU 40 HA LEU 40 3.425 2.380 1.794 311 HB2 LEU 40 1HB LEU 40 1.541 3.940 0.048 312 HB3 LEU 40 2HB LEU 40 2.997 3.204 -0.590 313 HG LEU 40 HG LEU 40 0.710 1.741 0.723 314 HD11 LEU 40 1HD1 LEU 40 0.363 0.810 -1.521 315 HD12 LEU 40 2HD1 LEU 40 1.625 1.873 -2.146 316 HD13 LEU 40 3HD1 LEU 40 0.140 2.558 -1.486 317 HD21 LEU 40 3HD2 LEU 40 2.865 0.683 1.180 318 HD22 LEU 40 1HD2 LEU 40 3.240 0.693 -0.542 319 HD23 LEU 40 2HD2 LEU 40 1.904 -0.285 0.064 320 H LYS 41 H LYS 41 5.318 3.064 0.882 321 HA LYS 41 HA LYS 41 5.810 5.945 0.689 322 HB2 LYS 41 1HB LYS 41 6.750 5.469 2.811 323 HB3 LYS 41 2HB LYS 41 7.414 3.932 2.260 324 HG2 LYS 41 1HG LYS 41 9.071 5.052 0.943 325 HG3 LYS 41 2HG LYS 41 8.339 6.625 1.283 326 HD2 LYS 41 1HD LYS 41 9.063 6.625 3.484 327 HD3 LYS 41 2HD LYS 41 9.262 4.872 3.522 328 HE2 LYS 41 1HE LYS 41 10.954 6.705 1.838 329 HE3 LYS 41 2HE LYS 41 11.399 6.195 3.467 330 HZ1 LYS 41 3HZ LYS 41 11.061 4.490 1.063 331 HZ2 LYS 41 1HZ LYS 41 11.168 3.856 2.635 332 HZ3 LYS 41 2HZ LYS 41 12.466 4.728 1.978 333 H ARG 42 H ARG 42 6.522 6.354 -1.307 334 HA ARG 42 HA ARG 42 7.384 4.114 -2.919 335 HB2 ARG 42 1HB ARG 42 7.337 5.886 -4.766 336 HB3 ARG 42 2HB ARG 42 5.815 5.351 -4.073 337 HG2 ARG 42 1HG ARG 42 5.734 7.375 -2.705 338 HG3 ARG 42 2HG ARG 42 7.265 7.910 -3.415 339 HD2 ARG 42 1HD ARG 42 6.281 8.026 -5.597 340 HD3 ARG 42 2HD ARG 42 4.792 7.280 -5.020 341 HE ARG 42 HE ARG 42 5.520 9.800 -3.774 342 HH11 ARG 42 1HH1 ARG 42 3.652 8.136 -6.217 343 HH12 ARG 42 2HH1 ARG 42 2.540 9.453 -6.459 344 HH21 ARG 42 1HH2 ARG 42 4.066 11.537 -4.066 345 HH22 ARG 42 2HH2 ARG 42 2.770 11.385 -5.215 346 H SER 43 H SER 43 9.355 3.593 -3.229 347 HA SER 43 HA SER 43 11.462 5.638 -3.212 348 HB2 SER 43 1HB SER 43 11.667 2.921 -1.879 349 HB3 SER 43 2HB SER 43 12.903 4.178 -1.894 350 HG SER 43 HG SER 43 11.267 5.521 -0.800 351 H SER 44 H SER 44 13.605 4.375 -3.949 352 HA SER 44 HA SER 44 14.768 3.343 -5.588 353 HB2 SER 44 1HB SER 44 12.310 1.620 -5.959 354 HB3 SER 44 2HB SER 44 13.933 1.262 -6.544 355 HG SER 44 HG SER 44 13.975 1.784 -3.892 356 H VAL 45 H VAL 45 11.544 3.030 -6.999 357 HA VAL 45 HA VAL 45 10.626 3.715 -8.947 358 HB VAL 45 HB VAL 45 12.545 6.040 -8.748 359 HG11 VAL 45 1HG1 VAL 45 11.612 5.819 -10.979 360 HG12 VAL 45 2HG1 VAL 45 10.910 7.213 -10.158 361 HG13 VAL 45 3HG1 VAL 45 9.983 5.720 -10.309 362 HG21 VAL 45 3HG2 VAL 45 10.681 7.238 -7.709 363 HG22 VAL 45 1HG2 VAL 45 11.155 5.835 -6.752 364 HG23 VAL 45 2HG2 VAL 45 9.707 5.769 -7.757 365 H ASP 46 H ASP 46 11.070 2.287 -10.495 366 HA ASP 46 HA ASP 46 13.644 2.514 -11.906 367 HB2 ASP 46 1HB ASP 46 11.682 0.231 -11.672 368 HB3 ASP 46 2HB ASP 46 12.929 0.266 -12.917 369 H SER 47 H SER 47 13.286 4.094 -13.342 370 HA SER 47 HA SER 47 12.588 5.127 -15.216 371 HB2 SER 47 1HB SER 47 11.292 2.494 -15.944 372 HB3 SER 47 2HB SER 47 11.762 3.788 -17.048 373 HG SER 47 HG SER 47 13.468 2.147 -15.480 374 H ARG 48 H ARG 48 9.733 3.082 -15.397 375 HA ARG 48 HA ARG 48 8.126 5.452 -14.692 376 HB2 ARG 48 1HB ARG 48 7.470 3.132 -16.511 377 HB3 ARG 48 2HB ARG 48 6.290 4.326 -15.998 378 HG2 ARG 48 1HG ARG 48 6.943 5.038 -18.109 379 HG3 ARG 48 2HG ARG 48 7.868 6.061 -17.010 380 HD2 ARG 48 1HD ARG 48 9.806 4.572 -17.289 381 HD3 ARG 48 2HD ARG 48 8.876 3.596 -18.424 382 HE ARG 48 HE ARG 48 9.053 6.391 -19.125 383 HH11 ARG 48 1HH1 ARG 48 10.531 3.225 -19.423 384 HH12 ARG 48 2HH1 ARG 48 11.412 3.630 -20.870 385 HH21 ARG 48 1HH2 ARG 48 10.208 6.919 -21.026 386 HH22 ARG 48 2HH2 ARG 48 11.208 5.719 -21.786 387 H ALA 49 H ALA 49 9.007 2.369 -13.666 388 HA ALA 49 HA ALA 49 6.490 1.852 -12.290 389 HB1 ALA 49 3HB ALA 49 7.652 -0.015 -13.373 390 HB2 ALA 49 1HB ALA 49 7.500 -0.265 -11.633 391 HB3 ALA 49 2HB ALA 49 9.043 0.244 -12.319 392 H THR 50 H THR 50 6.137 2.814 -10.429 393 HA THR 50 HA THR 50 8.368 3.668 -8.758 394 HB THR 50 HB THR 50 5.406 4.139 -8.343 395 HG1 THR 50 HG1 THR 50 6.103 6.313 -9.194 396 HG21 THR 50 3HG2 THR 50 6.801 4.458 -6.352 397 HG22 THR 50 1HG2 THR 50 6.162 5.994 -6.940 398 HG23 THR 50 2HG2 THR 50 7.842 5.556 -7.259 399 H HIS 51 H HIS 51 8.993 2.553 -6.998 400 HA HIS 51 HA HIS 51 7.473 0.168 -6.283 401 HB2 HIS 51 1HB HIS 51 10.218 1.098 -5.413 402 HB3 HIS 51 2HB HIS 51 9.461 -0.407 -4.896 403 HD1 HIS 51 HD1 HIS 51 9.826 -2.411 -6.368 404 HD2 HIS 51 HD2 HIS 51 10.802 1.169 -8.245 405 HE1 HIS 51 HE1 HIS 51 10.966 -3.055 -8.510 406 HE2 HIS 51 HE2 HIS 51 11.816 -0.876 -9.447 407 H TYR 52 H TYR 52 5.986 0.340 -4.760 408 HA TYR 52 HA TYR 52 6.307 2.337 -2.654 409 HB2 TYR 52 1HB TYR 52 3.971 0.615 -3.491 410 HB3 TYR 52 2HB TYR 52 3.954 1.622 -2.039 411 HD1 TYR 52 HD1 TYR 52 3.942 1.639 -5.719 412 HD2 TYR 52 HD2 TYR 52 3.857 4.019 -2.193 413 HE1 TYR 52 HE1 TYR 52 3.285 3.595 -7.060 414 HE2 TYR 52 HE2 TYR 52 3.198 5.975 -3.524 415 HH TYR 52 HH TYR 52 2.109 5.781 -6.686 416 H GLN 53 H GLN 53 7.197 1.818 -0.828 417 HA GLN 53 HA GLN 53 7.501 -0.989 -0.083 418 HB2 GLN 53 1HB GLN 53 9.445 0.633 -0.135 419 HB3 GLN 53 2HB GLN 53 8.696 1.462 1.227 420 HG2 GLN 53 1HG GLN 53 10.208 0.124 2.294 421 HG3 GLN 53 2HG GLN 53 8.767 -0.898 2.333 422 HE21 GLN 53 2HE2 GLN 53 8.696 -2.756 1.060 423 HE22 GLN 53 1HE2 GLN 53 10.107 -3.403 0.300 424 H ILE 54 H ILE 54 6.685 -1.827 1.793 425 HA ILE 54 HA ILE 54 4.409 -0.623 2.968 426 HB ILE 54 HB ILE 54 4.531 -2.505 4.592 427 HG12 ILE 54 1HG1 ILE 54 6.976 -3.297 2.988 428 HG13 ILE 54 2HG1 ILE 54 7.010 -2.680 4.636 429 HG21 ILE 54 1HG2 ILE 54 3.331 -2.729 2.485 430 HG22 ILE 54 2HG2 ILE 54 4.088 -4.256 2.936 431 HG23 ILE 54 3HG2 ILE 54 4.812 -3.249 1.683 432 HD11 ILE 54 3HD1 ILE 54 7.256 -5.087 4.590 433 HD12 ILE 54 1HD1 ILE 54 5.722 -5.241 3.732 434 HD13 ILE 54 2HD1 ILE 54 5.750 -4.628 5.385 435 H THR 55 H THR 55 4.198 0.654 4.707 436 HA THR 55 HA THR 55 6.542 1.225 6.358 437 HB THR 55 HB THR 55 5.149 2.979 7.379 438 HG1 THR 55 HG1 THR 55 3.031 3.331 6.406 439 HG21 THR 55 3HG2 THR 55 6.391 3.530 5.342 440 HG22 THR 55 1HG2 THR 55 4.869 4.416 5.409 441 HG23 THR 55 2HG2 THR 55 5.025 3.008 4.359 442 H GLU 56 H GLU 56 5.806 1.536 8.819 443 HA GLU 56 HA GLU 56 5.026 -0.997 9.808 444 HB2 GLU 56 1HB GLU 56 5.211 1.695 11.172 445 HB3 GLU 56 2HB GLU 56 4.843 0.202 12.021 446 HG2 GLU 56 1HG GLU 56 7.142 0.632 12.336 447 HG3 GLU 56 2HG GLU 56 7.024 -0.704 11.195 448 H ARG 57 H ARG 57 3.337 2.060 9.336 449 HA ARG 57 HA ARG 57 0.825 1.274 10.345 450 HB2 ARG 57 1HB ARG 57 1.479 3.225 8.127 451 HB3 ARG 57 2HB ARG 57 -0.082 3.094 8.933 452 HG2 ARG 57 1HG ARG 57 0.882 3.797 11.018 453 HG3 ARG 57 2HG ARG 57 2.499 3.791 10.313 454 HD2 ARG 57 1HD ARG 57 1.781 5.542 8.733 455 HD3 ARG 57 2HD ARG 57 0.202 5.576 9.522 456 HE ARG 57 HE ARG 57 2.377 5.993 11.349 457 HH11 ARG 57 1HH1 ARG 57 0.274 7.553 9.029 458 HH12 ARG 57 2HH1 ARG 57 0.427 9.130 9.747 459 HH21 ARG 57 1HH2 ARG 57 2.578 8.050 12.309 460 HH22 ARG 57 2HH2 ARG 57 1.725 9.404 11.634 461 H GLY 58 H GLY 58 2.235 1.113 7.103 462 HA2 GLY 58 1HA GLY 58 0.045 -0.070 5.792 463 HA3 GLY 58 2HA GLY 58 1.728 -0.191 5.284 464 H THR 59 H THR 59 2.528 -1.437 7.826 465 HA THR 59 HA THR 59 2.002 -4.159 7.171 466 HB THR 59 HB THR 59 3.242 -3.050 9.701 467 HG1 THR 59 HG1 THR 59 4.363 -2.406 7.761 468 HG21 THR 59 3HG2 THR 59 4.326 -5.255 9.840 469 HG22 THR 59 1HG2 THR 59 3.424 -5.781 8.418 470 HG23 THR 59 2HG2 THR 59 2.569 -5.387 9.910 471 H SER 60 H SER 60 0.941 -1.984 9.750 472 HA SER 60 HA SER 60 -0.649 -3.896 11.100 473 HB2 SER 60 1HB SER 60 0.177 -1.816 12.162 474 HB3 SER 60 2HB SER 60 -0.887 -0.874 11.113 475 HG SER 60 HG SER 60 -2.390 -1.204 12.531 476 H ALA 61 H ALA 61 -1.343 -1.471 8.617 477 HA ALA 61 HA ALA 61 -4.133 -1.668 8.593 478 HB1 ALA 61 3HB ALA 61 -2.891 0.123 7.483 479 HB2 ALA 61 1HB ALA 61 -4.017 -0.664 6.377 480 HB3 ALA 61 2HB ALA 61 -2.295 -1.032 6.292 481 H ALA 62 H ALA 62 -1.691 -3.680 7.096 482 HA ALA 62 HA ALA 62 -3.477 -5.066 5.355 483 HB1 ALA 62 3HB ALA 62 -0.752 -5.862 6.363 484 HB2 ALA 62 1HB ALA 62 -1.093 -4.957 4.890 485 HB3 ALA 62 2HB ALA 62 -1.624 -6.632 5.037 486 H LEU 63 H LEU 63 -2.629 -5.334 8.674 487 HA LEU 63 HA LEU 63 -3.687 -8.029 8.941 488 HB2 LEU 63 1HB LEU 63 -1.705 -7.232 10.235 489 HB3 LEU 63 2HB LEU 63 -2.752 -6.091 11.065 490 HG LEU 63 HG LEU 63 -4.041 -7.991 11.993 491 HD11 LEU 63 1HD1 LEU 63 -3.570 -9.615 10.222 492 HD12 LEU 63 2HD1 LEU 63 -3.161 -10.249 11.817 493 HD13 LEU 63 3HD1 LEU 63 -1.884 -9.683 10.738 494 HD21 LEU 63 3HD2 LEU 63 -1.075 -8.063 12.529 495 HD22 LEU 63 1HD2 LEU 63 -2.329 -8.717 13.583 496 HD23 LEU 63 2HD2 LEU 63 -2.245 -6.981 13.285 497 H ARG 64 H ARG 64 -4.946 -5.009 8.645 498 HA ARG 64 HA ARG 64 -7.209 -5.524 10.455 499 HB2 ARG 64 1HB ARG 64 -6.331 -2.937 9.159 500 HB3 ARG 64 2HB ARG 64 -7.686 -3.120 10.263 501 HG2 ARG 64 1HG ARG 64 -4.813 -3.662 10.984 502 HG3 ARG 64 2HG ARG 64 -5.657 -2.148 11.300 503 HD2 ARG 64 1HD ARG 64 -5.751 -3.352 13.316 504 HD3 ARG 64 2HD ARG 64 -7.347 -3.522 12.593 505 HE ARG 64 HE ARG 64 -6.293 -5.758 11.743 506 HH11 ARG 64 1HH1 ARG 64 -5.755 -4.246 14.850 507 HH12 ARG 64 2HH1 ARG 64 -5.583 -5.754 15.704 508 HH21 ARG 64 1HH2 ARG 64 -6.046 -7.754 12.851 509 HH22 ARG 64 2HH2 ARG 64 -5.748 -7.749 14.566 510 H SER 65 H SER 65 -8.999 -6.252 9.511 511 HA SER 65 HA SER 65 -9.593 -5.333 6.782 512 HB2 SER 65 1HB SER 65 -8.789 -7.728 6.855 513 HB3 SER 65 2HB SER 65 -10.213 -8.107 7.819 514 HG SER 65 HG SER 65 -11.507 -7.391 6.065 Start of MODEL 3 1 H1 MET 1 1H MET 1 -9.436 7.734 -0.428 2 H2 MET 1 2H MET 1 -7.925 7.683 0.332 3 H3 MET 1 3H MET 1 -8.885 9.075 0.444 4 HA MET 1 HA MET 1 -9.002 7.865 2.493 5 HB2 MET 1 1HB MET 1 -11.034 9.032 1.540 6 HB3 MET 1 2HB MET 1 -11.563 7.472 0.921 7 HG2 MET 1 1HG MET 1 -11.014 7.905 3.837 8 HG3 MET 1 2HG MET 1 -12.566 8.320 3.112 9 HE1 MET 1 3HE MET 1 -13.843 4.838 1.864 10 HE2 MET 1 1HE MET 1 -12.908 6.008 0.932 11 HE3 MET 1 2HE MET 1 -14.197 6.561 2.001 12 H ALA 2 H ALA 2 -8.911 5.925 3.533 13 HA ALA 2 HA ALA 2 -8.484 3.629 1.807 14 HB1 ALA 2 3HB ALA 2 -6.836 4.139 3.523 15 HB2 ALA 2 1HB ALA 2 -7.567 2.560 3.801 16 HB3 ALA 2 2HB ALA 2 -8.063 3.945 4.773 17 H THR 3 H THR 3 -10.200 2.465 1.263 18 HA THR 3 HA THR 3 -12.230 1.894 3.320 19 HB THR 3 HB THR 3 -13.062 2.849 1.165 20 HG1 THR 3 HG1 THR 3 -14.408 0.658 0.798 21 HG21 THR 3 3HG2 THR 3 -12.108 0.238 -0.013 22 HG22 THR 3 1HG2 THR 3 -11.433 1.832 -0.351 23 HG23 THR 3 2HG2 THR 3 -13.084 1.451 -0.843 24 H ALA 4 H ALA 4 -13.215 -0.474 2.718 25 HA ALA 4 HA ALA 4 -11.429 -2.355 3.658 26 HB1 ALA 4 3HB ALA 4 -13.803 -2.890 1.876 27 HB2 ALA 4 1HB ALA 4 -13.863 -2.656 3.623 28 HB3 ALA 4 2HB ALA 4 -13.018 -4.050 2.950 29 H ASP 5 H ASP 5 -12.095 -1.460 0.325 30 HA ASP 5 HA ASP 5 -10.667 -3.493 -0.972 31 HB2 ASP 5 1HB ASP 5 -11.250 -0.645 -1.806 32 HB3 ASP 5 2HB ASP 5 -10.515 -1.842 -2.872 33 H ASP 6 H ASP 6 -9.630 -0.423 0.390 34 HA ASP 6 HA ASP 6 -7.000 -0.488 -0.691 35 HB2 ASP 6 1HB ASP 6 -8.086 1.009 1.705 36 HB3 ASP 6 2HB ASP 6 -6.500 1.277 0.981 37 H PHE 7 H PHE 7 -8.447 -1.601 2.326 38 HA PHE 7 HA PHE 7 -6.113 -2.397 3.629 39 HB2 PHE 7 1HB PHE 7 -8.949 -3.395 3.752 40 HB3 PHE 7 2HB PHE 7 -7.675 -4.116 4.729 41 HD1 PHE 7 HD1 PHE 7 -6.606 -2.840 6.514 42 HD2 PHE 7 HD2 PHE 7 -9.835 -1.230 4.261 43 HE1 PHE 7 HE1 PHE 7 -6.937 -1.110 8.234 44 HE2 PHE 7 HE2 PHE 7 -10.171 0.504 5.973 45 HZ PHE 7 HZ PHE 7 -8.721 0.566 7.962 46 H LYS 8 H LYS 8 -8.124 -4.009 1.250 47 HA LYS 8 HA LYS 8 -6.713 -6.481 1.269 48 HB2 LYS 8 1HB LYS 8 -9.056 -6.112 0.417 49 HB3 LYS 8 2HB LYS 8 -8.360 -5.293 -0.973 50 HG2 LYS 8 1HG LYS 8 -7.136 -7.391 -1.516 51 HG3 LYS 8 2HG LYS 8 -8.019 -8.183 -0.205 52 HD2 LYS 8 1HD LYS 8 -10.141 -7.568 -1.318 53 HD3 LYS 8 2HD LYS 8 -9.212 -6.887 -2.654 54 HE2 LYS 8 1HE LYS 8 -9.873 -9.065 -3.316 55 HE3 LYS 8 2HE LYS 8 -8.153 -9.144 -2.935 56 HZ1 LYS 8 3HZ LYS 8 -8.763 -10.035 -0.736 57 HZ2 LYS 8 1HZ LYS 8 -9.276 -11.031 -2.008 58 HZ3 LYS 8 2HZ LYS 8 -10.392 -10.042 -1.203 59 H LEU 9 H LEU 9 -6.400 -3.455 -0.452 60 HA LEU 9 HA LEU 9 -4.530 -4.392 -2.396 61 HB2 LEU 9 1HB LEU 9 -6.047 -2.438 -2.700 62 HB3 LEU 9 2HB LEU 9 -5.106 -1.560 -1.508 63 HG LEU 9 HG LEU 9 -3.738 -2.631 -3.950 64 HD11 LEU 9 1HD1 LEU 9 -5.711 -1.486 -4.805 65 HD12 LEU 9 2HD1 LEU 9 -4.255 -0.541 -5.123 66 HD13 LEU 9 3HD1 LEU 9 -5.338 -0.077 -3.811 67 HD21 LEU 9 3HD2 LEU 9 -2.405 -1.650 -2.144 68 HD22 LEU 9 1HD2 LEU 9 -3.346 -0.163 -2.259 69 HD23 LEU 9 2HD2 LEU 9 -2.329 -0.669 -3.608 70 H ILE 10 H ILE 10 -4.246 -2.603 0.660 71 HA ILE 10 HA ILE 10 -1.426 -2.324 0.521 72 HB ILE 10 HB ILE 10 -2.856 -0.913 1.990 73 HG12 ILE 10 1HG1 ILE 10 -1.324 -0.925 3.953 74 HG13 ILE 10 2HG1 ILE 10 -0.645 -2.443 3.374 75 HG21 ILE 10 1HG2 ILE 10 -3.603 -1.746 4.143 76 HG22 ILE 10 2HG2 ILE 10 -3.015 -3.358 3.738 77 HG23 ILE 10 3HG2 ILE 10 -4.349 -2.651 2.826 78 HD11 ILE 10 3HD1 ILE 10 0.758 -0.539 2.801 79 HD12 ILE 10 1HD1 ILE 10 -0.578 0.181 1.903 80 HD13 ILE 10 2HD1 ILE 10 0.135 -1.337 1.357 81 H ARG 11 H ARG 11 -3.557 -4.860 1.579 82 HA ARG 11 HA ARG 11 -1.624 -6.457 2.903 83 HB2 ARG 11 1HB ARG 11 -4.092 -6.795 3.071 84 HB3 ARG 11 2HB ARG 11 -4.097 -7.363 1.406 85 HG2 ARG 11 1HG ARG 11 -4.134 -9.256 2.863 86 HG3 ARG 11 2HG ARG 11 -2.552 -9.183 2.080 87 HD2 ARG 11 1HD ARG 11 -1.657 -8.063 4.094 88 HD3 ARG 11 2HD ARG 11 -3.224 -8.274 4.873 89 HE ARG 11 HE ARG 11 -1.374 -10.441 4.111 90 HH11 ARG 11 1HH1 ARG 11 -4.139 -9.266 5.926 91 HH12 ARG 11 2HH1 ARG 11 -4.218 -10.671 6.947 92 HH21 ARG 11 1HH2 ARG 11 -1.495 -12.294 5.439 93 HH22 ARG 11 2HH2 ARG 11 -2.714 -12.387 6.678 94 H ASP 12 H ASP 12 -2.692 -6.138 -0.431 95 HA ASP 12 HA ASP 12 -1.329 -8.277 -1.589 96 HB2 ASP 12 1HB ASP 12 -3.010 -6.971 -2.799 97 HB3 ASP 12 2HB ASP 12 -1.955 -5.558 -2.770 98 H ILE 13 H ILE 13 -0.248 -5.041 -0.761 99 HA ILE 13 HA ILE 13 2.201 -4.998 -2.064 100 HB ILE 13 HB ILE 13 1.838 -3.824 0.682 101 HG12 ILE 13 1HG1 ILE 13 -0.177 -3.262 -0.609 102 HG13 ILE 13 2HG1 ILE 13 0.829 -1.841 -0.358 103 HG21 ILE 13 1HG2 ILE 13 3.366 -2.906 -1.751 104 HG22 ILE 13 2HG2 ILE 13 4.052 -3.648 -0.306 105 HG23 ILE 13 3HG2 ILE 13 3.291 -2.061 -0.204 106 HD11 ILE 13 3HD1 ILE 13 0.696 -3.471 -2.880 107 HD12 ILE 13 1HD1 ILE 13 1.670 -2.023 -2.627 108 HD13 ILE 13 2HD1 ILE 13 -0.090 -1.916 -2.604 109 H HIS 14 H HIS 14 1.286 -6.381 1.040 110 HA HIS 14 HA HIS 14 3.939 -7.173 1.763 111 HB2 HIS 14 1HB HIS 14 1.240 -8.047 2.813 112 HB3 HIS 14 2HB HIS 14 2.783 -8.519 3.517 113 HD1 HIS 14 HD1 HIS 14 4.013 -6.752 4.954 114 HD2 HIS 14 HD2 HIS 14 0.457 -5.428 3.259 115 HE1 HIS 14 HE1 HIS 14 3.508 -4.551 6.065 116 HE2 HIS 14 HE2 HIS 14 1.255 -3.868 5.162 117 H SER 15 H SER 15 1.140 -8.720 0.294 118 HA SER 15 HA SER 15 2.105 -11.338 0.137 119 HB2 SER 15 1HB SER 15 0.277 -9.906 -1.812 120 HB3 SER 15 2HB SER 15 0.420 -11.653 -1.611 121 HG SER 15 HG SER 15 -1.159 -9.978 -0.282 122 H THR 16 H THR 16 2.652 -8.543 -1.916 123 HA THR 16 HA THR 16 3.957 -10.006 -4.008 124 HB THR 16 HB THR 16 4.064 -7.022 -3.522 125 HG1 THR 16 HG1 THR 16 1.916 -7.348 -3.642 126 HG21 THR 16 3HG2 THR 16 5.567 -7.878 -5.274 127 HG22 THR 16 1HG2 THR 16 4.271 -6.894 -5.955 128 HG23 THR 16 2HG2 THR 16 4.194 -8.654 -6.064 129 H GLY 17 H GLY 17 4.939 -9.269 -0.930 130 HA2 GLY 17 1HA GLY 17 7.116 -10.144 -0.294 131 HA3 GLY 17 2HA GLY 17 7.766 -9.434 -1.767 132 H GLY 18 H GLY 18 5.522 -7.470 -0.107 133 HA2 GLY 18 1HA GLY 18 5.870 -5.871 1.602 134 HA3 GLY 18 2HA GLY 18 7.604 -6.158 1.480 135 H ARG 19 H ARG 19 7.132 -6.013 -1.563 136 HA ARG 19 HA ARG 19 6.916 -3.087 -1.761 137 HB2 ARG 19 1HB ARG 19 8.835 -4.874 -3.279 138 HB3 ARG 19 2HB ARG 19 8.591 -3.161 -3.596 139 HG2 ARG 19 1HG ARG 19 10.528 -3.205 -2.336 140 HG3 ARG 19 2HG ARG 19 9.287 -2.831 -1.139 141 HD2 ARG 19 1HD ARG 19 9.211 -5.206 -0.508 142 HD3 ARG 19 2HD ARG 19 10.486 -5.547 -1.678 143 HE ARG 19 HE ARG 19 11.679 -3.701 -0.194 144 HH11 ARG 19 1HH1 ARG 19 9.811 -6.521 0.740 145 HH12 ARG 19 2HH1 ARG 19 10.617 -6.705 2.270 146 HH21 ARG 19 1HH2 ARG 19 12.762 -3.968 1.810 147 HH22 ARG 19 2HH2 ARG 19 12.302 -5.269 2.863 148 H ARG 20 H ARG 20 5.836 -2.298 -3.514 149 HA ARG 20 HA ARG 20 4.883 -4.206 -5.531 150 HB2 ARG 20 1HB ARG 20 3.036 -3.925 -3.968 151 HB3 ARG 20 2HB ARG 20 3.191 -2.174 -4.056 152 HG2 ARG 20 1HG ARG 20 1.339 -2.725 -5.386 153 HG3 ARG 20 2HG ARG 20 2.648 -2.377 -6.516 154 HD2 ARG 20 1HD ARG 20 3.072 -4.831 -6.664 155 HD3 ARG 20 2HD ARG 20 1.630 -5.090 -5.678 156 HE ARG 20 HE ARG 20 1.380 -3.578 -8.181 157 HH11 ARG 20 1HH1 ARG 20 0.582 -6.401 -6.264 158 HH12 ARG 20 2HH1 ARG 20 -0.526 -7.040 -7.444 159 HH21 ARG 20 1HH2 ARG 20 -0.071 -4.417 -9.724 160 HH22 ARG 20 2HH2 ARG 20 -0.864 -5.935 -9.425 161 H GLN 21 H GLN 21 5.717 -3.481 -7.395 162 HA GLN 21 HA GLN 21 6.153 -0.626 -7.737 163 HB2 GLN 21 1HB GLN 21 7.362 -1.182 -9.754 164 HB3 GLN 21 2HB GLN 21 7.912 -2.223 -8.445 165 HG2 GLN 21 1HG GLN 21 6.459 -4.024 -9.310 166 HG3 GLN 21 2HG GLN 21 6.030 -2.982 -10.669 167 HE21 GLN 21 2HE2 GLN 21 9.215 -3.141 -9.216 168 HE22 GLN 21 1HE2 GLN 21 10.006 -3.869 -10.583 169 H VAL 22 H VAL 22 4.878 0.670 -8.873 170 HA VAL 22 HA VAL 22 2.672 -0.571 -10.384 171 HB VAL 22 HB VAL 22 2.484 1.908 -8.660 172 HG11 VAL 22 1HG1 VAL 22 0.361 0.388 -10.169 173 HG12 VAL 22 2HG1 VAL 22 1.000 1.978 -10.588 174 HG13 VAL 22 3HG1 VAL 22 0.083 1.762 -9.097 175 HG21 VAL 22 3HG2 VAL 22 2.695 -0.096 -7.296 176 HG22 VAL 22 1HG2 VAL 22 1.382 -0.859 -8.194 177 HG23 VAL 22 2HG2 VAL 22 1.060 0.560 -7.197 178 H PHE 23 H PHE 23 2.416 0.161 -12.394 179 HA PHE 23 HA PHE 23 4.143 2.128 -13.491 180 HB2 PHE 23 1HB PHE 23 1.636 0.866 -14.620 181 HB3 PHE 23 2HB PHE 23 2.738 1.889 -15.535 182 HD1 PHE 23 HD2 PHE 23 5.205 1.113 -15.632 183 HD2 PHE 23 HD1 PHE 23 1.956 -1.420 -14.574 184 HE1 PHE 23 HE2 PHE 23 6.564 -0.856 -16.203 185 HE2 PHE 23 HE1 PHE 23 3.308 -3.397 -15.141 186 HZ PHE 23 HZ PHE 23 5.614 -3.116 -15.958 187 H GLY 24 H GLY 24 3.693 4.212 -14.189 188 HA2 GLY 24 1HA GLY 24 1.856 5.717 -12.629 189 HA3 GLY 24 2HA GLY 24 2.784 6.317 -14.002 190 H SER 25 H SER 25 -0.122 4.609 -13.057 191 HA SER 25 HA SER 25 -1.569 5.744 -15.307 192 HB2 SER 25 1HB SER 25 -1.485 2.753 -14.800 193 HB3 SER 25 2HB SER 25 -2.450 3.573 -16.029 194 HG SER 25 HG SER 25 0.087 4.347 -16.280 195 H ARG 26 H ARG 26 -3.953 4.392 -15.020 196 HA ARG 26 HA ARG 26 -5.112 5.709 -12.851 197 HB2 ARG 26 1HB ARG 26 -5.993 3.725 -14.837 198 HB3 ARG 26 2HB ARG 26 -6.928 3.754 -13.351 199 HG2 ARG 26 1HG ARG 26 -7.923 5.170 -15.055 200 HG3 ARG 26 2HG ARG 26 -7.396 6.119 -13.668 201 HD2 ARG 26 1HD ARG 26 -5.668 5.787 -16.099 202 HD3 ARG 26 2HD ARG 26 -6.920 7.023 -16.023 203 HE ARG 26 HE ARG 26 -5.259 7.178 -13.736 204 HH11 ARG 26 1HH1 ARG 26 -5.269 7.873 -17.174 205 HH12 ARG 26 2HH1 ARG 26 -4.100 9.157 -17.048 206 HH21 ARG 26 1HH2 ARG 26 -3.724 8.866 -13.568 207 HH22 ARG 26 2HH2 ARG 26 -3.258 9.747 -14.994 208 H GLU 27 H GLU 27 -3.816 2.456 -13.060 209 HA GLU 27 HA GLU 27 -4.945 1.409 -10.719 210 HB2 GLU 27 1HB GLU 27 -3.148 -0.248 -10.807 211 HB3 GLU 27 2HB GLU 27 -3.874 -0.004 -12.387 212 HG2 GLU 27 1HG GLU 27 -2.001 1.307 -13.107 213 HG3 GLU 27 2HG GLU 27 -1.301 1.273 -11.485 214 H GLN 28 H GLN 28 -2.374 3.657 -11.180 215 HA GLN 28 HA GLN 28 -1.024 3.145 -8.706 216 HB2 GLN 28 1HB GLN 28 0.140 4.039 -10.682 217 HB3 GLN 28 2HB GLN 28 -0.834 5.503 -10.591 218 HG2 GLN 28 1HG GLN 28 0.173 6.117 -8.512 219 HG3 GLN 28 2HG GLN 28 1.024 4.575 -8.415 220 HE21 GLN 28 2HE2 GLN 28 2.815 4.223 -9.709 221 HE22 GLN 28 1HE2 GLN 28 3.647 5.517 -10.506 222 H LYS 29 H LYS 29 -3.766 4.957 -9.628 223 HA LYS 29 HA LYS 29 -3.735 7.186 -8.033 224 HB2 LYS 29 1HB LYS 29 -5.444 6.862 -9.671 225 HB3 LYS 29 2HB LYS 29 -6.054 5.442 -8.838 226 HG2 LYS 29 1HG LYS 29 -6.917 6.750 -7.060 227 HG3 LYS 29 2HG LYS 29 -6.088 8.195 -7.640 228 HD2 LYS 29 1HD LYS 29 -8.495 8.221 -8.162 229 HD3 LYS 29 2HD LYS 29 -7.494 8.255 -9.610 230 HE2 LYS 29 1HE LYS 29 -8.529 5.650 -8.559 231 HE3 LYS 29 2HE LYS 29 -9.581 6.700 -9.506 232 HZ1 LYS 29 3HZ LYS 29 -8.541 5.129 -10.956 233 HZ2 LYS 29 1HZ LYS 29 -6.996 5.524 -10.382 234 HZ3 LYS 29 2HZ LYS 29 -7.881 6.658 -11.278 235 HA PRO 30 HA PRO 30 -5.746 4.837 -4.285 236 HB2 PRO 30 1HB PRO 30 -5.295 2.142 -4.175 237 HB3 PRO 30 2HB PRO 30 -6.781 2.871 -4.797 238 HG2 PRO 30 1HG PRO 30 -4.406 1.830 -6.292 239 HG3 PRO 30 2HG PRO 30 -6.132 1.650 -6.663 240 HD2 PRO 30 1HD PRO 30 -4.580 3.437 -7.945 241 HD3 PRO 30 2HD PRO 30 -6.287 3.770 -7.576 242 H PHE 31 H PHE 31 -2.798 3.550 -5.726 243 HA PHE 31 HA PHE 31 -1.452 2.984 -3.308 244 HB2 PHE 31 1HB PHE 31 -0.431 3.535 -6.098 245 HB3 PHE 31 2HB PHE 31 0.604 3.041 -4.761 246 HD1 PHE 31 HD2 PHE 31 -2.145 1.985 -6.969 247 HD2 PHE 31 HD1 PHE 31 0.699 0.781 -4.045 248 HE1 PHE 31 HE2 PHE 31 -2.627 -0.372 -7.479 249 HE2 PHE 31 HE1 PHE 31 0.222 -1.578 -4.551 250 HZ PHE 31 HZ PHE 31 -1.444 -2.158 -6.269 251 H GLU 32 H GLU 32 -1.509 5.784 -5.449 252 HA GLU 32 HA GLU 32 0.334 7.375 -4.045 253 HB2 GLU 32 1HB GLU 32 -1.886 7.940 -5.970 254 HB3 GLU 32 2HB GLU 32 -1.107 9.277 -5.137 255 HG2 GLU 32 1HG GLU 32 0.380 7.223 -6.752 256 HG3 GLU 32 2HG GLU 32 -0.190 8.764 -7.396 257 H ASP 33 H ASP 33 -3.107 6.836 -3.612 258 HA ASP 33 HA ASP 33 -3.510 8.929 -1.735 259 HB2 ASP 33 1HB ASP 33 -5.365 7.883 -2.993 260 HB3 ASP 33 2HB ASP 33 -5.107 6.384 -2.096 261 H LEU 34 H LEU 34 -2.730 5.493 -1.433 262 HA LEU 34 HA LEU 34 -2.850 5.368 1.376 263 HB2 LEU 34 1HB LEU 34 -1.184 3.745 -0.548 264 HB3 LEU 34 2HB LEU 34 -1.426 3.362 1.148 265 HG LEU 34 HG LEU 34 -3.533 3.367 -1.016 266 HD11 LEU 34 1HD1 LEU 34 -2.331 1.140 0.620 267 HD12 LEU 34 2HD1 LEU 34 -2.043 1.451 -1.092 268 HD13 LEU 34 3HD1 LEU 34 -3.649 0.972 -0.541 269 HD21 LEU 34 3HD2 LEU 34 -3.796 2.813 1.937 270 HD22 LEU 34 1HD2 LEU 34 -5.043 2.514 0.726 271 HD23 LEU 34 2HD2 LEU 34 -4.508 4.161 1.051 272 H VAL 35 H VAL 35 -0.417 6.548 -0.816 273 HA VAL 35 HA VAL 35 1.789 6.586 0.924 274 HB VAL 35 HB VAL 35 1.116 8.517 -1.302 275 HG11 VAL 35 1HG1 VAL 35 3.745 8.027 0.094 276 HG12 VAL 35 2HG1 VAL 35 2.750 9.475 0.240 277 HG13 VAL 35 3HG1 VAL 35 3.499 9.072 -1.306 278 HG21 VAL 35 3HG2 VAL 35 1.307 6.206 -2.055 279 HG22 VAL 35 1HG2 VAL 35 2.882 6.073 -1.272 280 HG23 VAL 35 2HG2 VAL 35 2.664 7.174 -2.633 281 H ASP 36 H ASP 36 -0.696 9.031 0.286 282 HA ASP 36 HA ASP 36 0.248 10.931 2.150 283 HB2 ASP 36 1HB ASP 36 -1.305 11.609 0.424 284 HB3 ASP 36 2HB ASP 36 -2.525 10.486 1.025 285 H LEU 37 H LEU 37 -1.978 8.227 2.406 286 HA LEU 37 HA LEU 37 -2.826 8.736 5.061 287 HB2 LEU 37 1HB LEU 37 -2.721 6.170 3.472 288 HB3 LEU 37 2HB LEU 37 -3.533 6.353 5.018 289 HG LEU 37 HG LEU 37 -4.261 7.895 2.526 290 HD11 LEU 37 1HD1 LEU 37 -5.567 5.479 3.760 291 HD12 LEU 37 2HD1 LEU 37 -4.700 5.526 2.227 292 HD13 LEU 37 3HD1 LEU 37 -6.207 6.421 2.414 293 HD21 LEU 37 3HD2 LEU 37 -6.287 8.456 3.772 294 HD22 LEU 37 1HD2 LEU 37 -4.842 9.040 4.600 295 HD23 LEU 37 2HD2 LEU 37 -5.667 7.591 5.177 296 H GLY 38 H GLY 38 0.059 7.483 3.716 297 HA2 GLY 38 1HA GLY 38 2.066 7.286 4.911 298 HA3 GLY 38 2HA GLY 38 1.141 7.159 6.404 299 H TRP 39 H TRP 39 -0.005 5.181 3.868 300 HA TRP 39 HA TRP 39 0.885 2.812 5.328 301 HB2 TRP 39 1HB TRP 39 -1.038 3.180 3.023 302 HB3 TRP 39 2HB TRP 39 -0.649 1.617 3.740 303 HD1 TRP 39 HD1 TRP 39 -0.974 4.312 6.337 304 HE1 TRP 39 HE1 TRP 39 -3.241 4.096 7.538 305 HE3 TRP 39 HE3 TRP 39 -3.234 0.911 3.243 306 HZ2 TRP 39 HZ2 TRP 39 -5.629 2.681 7.238 307 HZ3 TRP 39 HZ3 TRP 39 -5.520 0.179 3.782 308 HH2 TRP 39 HH2 TRP 39 -6.695 1.044 5.740 309 H LEU 40 H LEU 40 1.305 4.405 2.245 310 HA LEU 40 HA LEU 40 3.320 2.377 1.534 311 HB2 LEU 40 1HB LEU 40 1.486 3.979 -0.231 312 HB3 LEU 40 2HB LEU 40 2.918 3.179 -0.850 313 HG LEU 40 HG LEU 40 0.583 1.809 0.485 314 HD11 LEU 40 1HD1 LEU 40 0.145 0.905 -1.745 315 HD12 LEU 40 2HD1 LEU 40 1.456 1.886 -2.400 316 HD13 LEU 40 3HD1 LEU 40 0.024 2.664 -1.723 317 HD21 LEU 40 3HD2 LEU 40 1.693 -0.258 -0.225 318 HD22 LEU 40 1HD2 LEU 40 2.685 0.656 0.910 319 HD23 LEU 40 2HD2 LEU 40 3.064 0.683 -0.812 320 H LYS 41 H LYS 41 5.194 3.104 0.448 321 HA LYS 41 HA LYS 41 5.743 5.983 0.633 322 HB2 LYS 41 1HB LYS 41 6.718 4.839 2.611 323 HB3 LYS 41 2HB LYS 41 7.628 3.786 1.528 324 HG2 LYS 41 1HG LYS 41 8.678 5.891 0.588 325 HG3 LYS 41 2HG LYS 41 7.954 6.743 1.958 326 HD2 LYS 41 1HD LYS 41 9.127 5.168 3.482 327 HD3 LYS 41 2HD LYS 41 9.931 4.468 2.077 328 HE2 LYS 41 1HE LYS 41 10.159 7.301 3.080 329 HE3 LYS 41 2HE LYS 41 11.404 6.055 3.121 330 HZ1 LYS 41 3HZ LYS 41 10.247 7.271 0.670 331 HZ2 LYS 41 1HZ LYS 41 11.438 6.062 0.704 332 HZ3 LYS 41 2HZ LYS 41 11.777 7.604 1.317 333 H ARG 42 H ARG 42 6.868 6.806 -1.034 334 HA ARG 42 HA ARG 42 7.475 5.039 -3.259 335 HB2 ARG 42 1HB ARG 42 7.728 8.048 -2.993 336 HB3 ARG 42 2HB ARG 42 7.936 7.132 -4.485 337 HG2 ARG 42 1HG ARG 42 5.616 6.438 -4.417 338 HG3 ARG 42 2HG ARG 42 5.394 7.259 -2.870 339 HD2 ARG 42 1HD ARG 42 4.532 8.526 -4.837 340 HD3 ARG 42 2HD ARG 42 5.720 9.399 -3.871 341 HE ARG 42 HE ARG 42 7.363 8.733 -5.632 342 HH11 ARG 42 1HH1 ARG 42 3.939 8.877 -6.396 343 HH12 ARG 42 2HH1 ARG 42 4.212 9.309 -8.056 344 HH21 ARG 42 1HH2 ARG 42 7.710 9.298 -7.817 345 HH22 ARG 42 2HH2 ARG 42 6.355 9.531 -8.877 346 H SER 43 H SER 43 9.308 3.921 -2.956 347 HA SER 43 HA SER 43 11.522 5.156 -1.532 348 HB2 SER 43 1HB SER 43 11.267 2.321 -2.546 349 HB3 SER 43 2HB SER 43 12.444 2.928 -1.380 350 HG SER 43 HG SER 43 11.022 2.565 0.103 351 H SER 44 H SER 44 10.812 3.851 -4.735 352 HA SER 44 HA SER 44 13.078 5.300 -5.805 353 HB2 SER 44 1HB SER 44 13.903 2.987 -5.089 354 HB3 SER 44 2HB SER 44 12.867 2.335 -6.358 355 HG SER 44 HG SER 44 15.158 3.968 -6.577 356 H VAL 45 H VAL 45 12.882 5.692 -8.045 357 HA VAL 45 HA VAL 45 10.320 4.803 -9.195 358 HB VAL 45 HB VAL 45 10.170 6.979 -10.389 359 HG11 VAL 45 1HG1 VAL 45 10.211 7.157 -7.379 360 HG12 VAL 45 2HG1 VAL 45 8.874 6.569 -8.368 361 HG13 VAL 45 3HG1 VAL 45 9.367 8.259 -8.468 362 HG21 VAL 45 3HG2 VAL 45 12.497 7.660 -10.302 363 HG22 VAL 45 1HG2 VAL 45 12.419 7.776 -8.544 364 HG23 VAL 45 2HG2 VAL 45 11.477 8.883 -9.544 365 H ASP 46 H ASP 46 10.368 3.930 -11.105 366 HA ASP 46 HA ASP 46 12.755 4.246 -12.805 367 HB2 ASP 46 1HB ASP 46 10.749 1.971 -12.705 368 HB3 ASP 46 2HB ASP 46 12.026 2.121 -13.911 369 H SER 47 H SER 47 12.166 4.087 -15.194 370 HA SER 47 HA SER 47 10.482 6.149 -15.933 371 HB2 SER 47 1HB SER 47 11.158 3.738 -17.632 372 HB3 SER 47 2HB SER 47 10.708 5.344 -18.208 373 HG SER 47 HG SER 47 13.084 4.519 -16.904 374 H ARG 48 H ARG 48 8.429 6.234 -15.277 375 HA ARG 48 HA ARG 48 6.193 5.886 -15.250 376 HB2 ARG 48 1HB ARG 48 6.944 3.991 -17.448 377 HB3 ARG 48 2HB ARG 48 5.293 4.058 -16.849 378 HG2 ARG 48 1HG ARG 48 6.799 6.442 -17.893 379 HG3 ARG 48 2HG ARG 48 5.715 5.444 -18.866 380 HD2 ARG 48 1HD ARG 48 3.892 5.951 -17.269 381 HD3 ARG 48 2HD ARG 48 4.986 7.031 -16.407 382 HE ARG 48 HE ARG 48 5.108 8.010 -18.898 383 HH11 ARG 48 1HH1 ARG 48 2.350 7.109 -16.915 384 HH12 ARG 48 2HH1 ARG 48 1.305 8.299 -17.620 385 HH21 ARG 48 1HH2 ARG 48 3.725 9.567 -19.816 386 HH22 ARG 48 2HH2 ARG 48 2.078 9.692 -19.268 387 H ALA 49 H ALA 49 8.194 4.160 -13.665 388 HA ALA 49 HA ALA 49 6.120 2.355 -12.628 389 HB1 ALA 49 3HB ALA 49 7.618 1.003 -14.014 390 HB2 ALA 49 1HB ALA 49 7.747 0.569 -12.310 391 HB3 ALA 49 2HB ALA 49 8.997 1.558 -13.064 392 H THR 50 H THR 50 5.736 2.946 -10.606 393 HA THR 50 HA THR 50 7.918 4.155 -9.050 394 HB THR 50 HB THR 50 4.947 4.248 -8.487 395 HG1 THR 50 HG1 THR 50 6.298 5.484 -10.386 396 HG21 THR 50 3HG2 THR 50 6.348 4.605 -6.511 397 HG22 THR 50 1HG2 THR 50 5.548 6.101 -6.992 398 HG23 THR 50 2HG2 THR 50 7.253 5.851 -7.369 399 H HIS 51 H HIS 51 8.779 3.083 -7.395 400 HA HIS 51 HA HIS 51 7.695 0.502 -6.621 401 HB2 HIS 51 1HB HIS 51 10.186 1.979 -5.724 402 HB3 HIS 51 2HB HIS 51 9.739 0.360 -5.192 403 HD1 HIS 51 HD1 HIS 51 11.670 -0.889 -6.191 404 HD2 HIS 51 HD2 HIS 51 9.686 1.478 -8.973 405 HE1 HIS 51 HE1 HIS 51 12.650 -1.499 -8.423 406 HE2 HIS 51 HE2 HIS 51 11.617 0.129 -10.047 407 H TYR 52 H TYR 52 6.153 0.424 -5.114 408 HA TYR 52 HA TYR 52 6.219 2.371 -2.915 409 HB2 TYR 52 1HB TYR 52 4.028 0.505 -3.854 410 HB3 TYR 52 2HB TYR 52 3.915 1.525 -2.420 411 HD1 TYR 52 HD2 TYR 52 3.952 1.485 -6.090 412 HD2 TYR 52 HD1 TYR 52 3.608 3.912 -2.612 413 HE1 TYR 52 HE2 TYR 52 3.105 3.333 -7.472 414 HE2 TYR 52 HE1 TYR 52 2.758 5.766 -3.986 415 HH TYR 52 HH TYR 52 2.623 6.545 -6.172 416 H GLN 53 H GLN 53 6.831 1.755 -0.949 417 HA GLN 53 HA GLN 53 7.088 -1.133 -0.442 418 HB2 GLN 53 1HB GLN 53 9.241 0.065 -0.578 419 HB3 GLN 53 2HB GLN 53 8.718 1.133 0.721 420 HG2 GLN 53 1HG GLN 53 8.645 -0.730 2.264 421 HG3 GLN 53 2HG GLN 53 9.070 -1.849 0.965 422 HE21 GLN 53 2HE2 GLN 53 10.944 0.052 -0.224 423 HE22 GLN 53 1HE2 GLN 53 12.351 0.027 0.787 424 H ILE 54 H ILE 54 6.453 -1.942 1.529 425 HA ILE 54 HA ILE 54 4.287 -0.728 2.835 426 HB ILE 54 HB ILE 54 4.563 -2.507 4.544 427 HG12 ILE 54 1HG1 ILE 54 6.970 -3.287 2.879 428 HG13 ILE 54 2HG1 ILE 54 7.036 -2.606 4.501 429 HG21 ILE 54 1HG2 ILE 54 3.283 -2.896 2.512 430 HG22 ILE 54 2HG2 ILE 54 4.112 -4.366 3.023 431 HG23 ILE 54 3HG2 ILE 54 4.747 -3.418 1.677 432 HD11 ILE 54 3HD1 ILE 54 7.370 -5.013 4.523 433 HD12 ILE 54 1HD1 ILE 54 5.803 -5.247 3.749 434 HD13 ILE 54 2HD1 ILE 54 5.891 -4.567 5.375 435 H THR 55 H THR 55 4.106 0.525 4.605 436 HA THR 55 HA THR 55 6.565 1.344 5.998 437 HB THR 55 HB THR 55 5.244 3.241 6.820 438 HG1 THR 55 HG1 THR 55 3.082 3.479 6.033 439 HG21 THR 55 3HG2 THR 55 4.963 2.863 3.832 440 HG22 THR 55 1HG2 THR 55 6.385 3.495 4.664 441 HG23 THR 55 2HG2 THR 55 4.872 4.403 4.689 442 H GLU 56 H GLU 56 5.720 2.139 8.402 443 HA GLU 56 HA GLU 56 5.035 -0.166 9.870 444 HB2 GLU 56 1HB GLU 56 4.890 2.765 10.581 445 HB3 GLU 56 2HB GLU 56 4.560 1.478 11.732 446 HG2 GLU 56 1HG GLU 56 7.155 1.880 10.262 447 HG3 GLU 56 2HG GLU 56 6.837 2.354 11.930 448 H ARG 57 H ARG 57 3.092 2.641 8.850 449 HA ARG 57 HA ARG 57 0.628 1.703 9.839 450 HB2 ARG 57 1HB ARG 57 1.312 3.590 7.594 451 HB3 ARG 57 2HB ARG 57 -0.355 3.187 7.998 452 HG2 ARG 57 1HG ARG 57 1.656 4.491 9.819 453 HG3 ARG 57 2HG ARG 57 0.295 5.280 9.019 454 HD2 ARG 57 1HD ARG 57 0.147 3.103 11.099 455 HD3 ARG 57 2HD ARG 57 -0.251 4.806 11.327 456 HE ARG 57 HE ARG 57 -2.033 4.330 9.546 457 HH11 ARG 57 1HH1 ARG 57 -0.947 2.050 11.976 458 HH12 ARG 57 2HH1 ARG 57 -2.428 1.138 11.961 459 HH21 ARG 57 1HH2 ARG 57 -4.008 3.152 9.574 460 HH22 ARG 57 2HH2 ARG 57 -4.156 1.755 10.603 461 H GLY 58 H GLY 58 2.273 1.227 6.754 462 HA2 GLY 58 1HA GLY 58 0.212 -0.168 5.441 463 HA3 GLY 58 2HA GLY 58 1.931 -0.302 5.074 464 H THR 59 H THR 59 2.762 -1.289 7.604 465 HA THR 59 HA THR 59 2.117 -4.048 7.340 466 HB THR 59 HB THR 59 3.559 -2.624 9.590 467 HG1 THR 59 HG1 THR 59 5.213 -2.640 8.269 468 HG21 THR 59 3HG2 THR 59 2.736 -4.818 10.296 469 HG22 THR 59 1HG2 THR 59 4.491 -4.839 10.113 470 HG23 THR 59 2HG2 THR 59 3.467 -5.560 8.872 471 H SER 60 H SER 60 1.243 -1.538 9.677 472 HA SER 60 HA SER 60 -0.290 -3.148 11.389 473 HB2 SER 60 1HB SER 60 0.474 -0.920 12.034 474 HB3 SER 60 2HB SER 60 -0.537 -0.191 10.783 475 HG SER 60 HG SER 60 -2.174 -1.656 12.177 476 H ALA 61 H ALA 61 -1.160 -1.361 8.458 477 HA ALA 61 HA ALA 61 -3.944 -1.714 8.619 478 HB1 ALA 61 3HB ALA 61 -2.229 -1.454 6.152 479 HB2 ALA 61 1HB ALA 61 -2.874 -0.118 7.106 480 HB3 ALA 61 2HB ALA 61 -3.971 -1.194 6.242 481 H ALA 62 H ALA 62 -1.406 -3.740 7.248 482 HA ALA 62 HA ALA 62 -3.214 -5.686 6.172 483 HB1 ALA 62 3HB ALA 62 -0.960 -5.331 5.251 484 HB2 ALA 62 1HB ALA 62 -1.231 -7.006 5.730 485 HB3 ALA 62 2HB ALA 62 -0.267 -5.940 6.754 486 H LEU 63 H LEU 63 -1.574 -5.176 9.194 487 HA LEU 63 HA LEU 63 -2.092 -7.829 10.200 488 HB2 LEU 63 1HB LEU 63 -0.122 -6.385 10.842 489 HB3 LEU 63 2HB LEU 63 -1.245 -5.371 11.737 490 HG LEU 63 HG LEU 63 -1.830 -7.339 13.146 491 HD11 LEU 63 1HD1 LEU 63 -0.387 -9.307 13.074 492 HD12 LEU 63 2HD1 LEU 63 0.450 -8.648 11.669 493 HD13 LEU 63 3HD1 LEU 63 -1.252 -9.093 11.552 494 HD21 LEU 63 3HD2 LEU 63 -0.173 -5.713 13.894 495 HD22 LEU 63 1HD2 LEU 63 1.095 -6.611 13.061 496 HD23 LEU 63 2HD2 LEU 63 0.254 -7.339 14.429 497 H ARG 64 H ARG 64 -3.936 -5.116 9.707 498 HA ARG 64 HA ARG 64 -5.536 -5.154 12.063 499 HB2 ARG 64 1HB ARG 64 -5.381 -3.131 10.734 500 HB3 ARG 64 2HB ARG 64 -6.050 -3.958 9.337 501 HG2 ARG 64 1HG ARG 64 -7.716 -2.537 10.369 502 HG3 ARG 64 2HG ARG 64 -8.177 -4.231 10.517 503 HD2 ARG 64 1HD ARG 64 -6.715 -2.805 12.717 504 HD3 ARG 64 2HD ARG 64 -8.466 -2.694 12.559 505 HE ARG 64 HE ARG 64 -8.200 -5.310 12.579 506 HH11 ARG 64 1HH1 ARG 64 -6.587 -2.916 14.550 507 HH12 ARG 64 2HH1 ARG 64 -6.372 -3.987 15.899 508 HH21 ARG 64 1HH2 ARG 64 -7.967 -6.727 14.378 509 HH22 ARG 64 2HH2 ARG 64 -7.177 -6.143 15.819 510 H SER 65 H SER 65 -6.259 -7.186 12.420 511 HA SER 65 HA SER 65 -8.317 -8.131 10.547 512 HB2 SER 65 1HB SER 65 -6.366 -9.691 10.884 513 HB3 SER 65 2HB SER 65 -6.812 -9.799 12.585 514 HG SER 65 HG SER 65 -8.812 -10.300 10.697 Start of MODEL 4 1 H1 MET 1 1H MET 1 -11.098 7.940 6.539 2 H2 MET 1 2H MET 1 -10.486 6.360 6.462 3 H3 MET 1 3H MET 1 -11.993 6.716 5.780 4 HA MET 1 HA MET 1 -11.017 8.064 4.106 5 HB2 MET 1 1HB MET 1 -8.441 7.470 5.565 6 HB3 MET 1 2HB MET 1 -8.494 8.114 3.928 7 HG2 MET 1 1HG MET 1 -9.645 9.438 6.373 8 HG3 MET 1 2HG MET 1 -8.109 9.848 5.600 9 HE1 MET 1 3HE MET 1 -7.927 10.859 3.139 10 HE2 MET 1 1HE MET 1 -9.323 11.179 2.110 11 HE3 MET 1 2HE MET 1 -8.887 9.518 2.512 12 H ALA 2 H ALA 2 -9.143 5.298 5.319 13 HA ALA 2 HA ALA 2 -9.160 4.108 2.671 14 HB1 ALA 2 3HB ALA 2 -7.984 3.076 5.247 15 HB2 ALA 2 1HB ALA 2 -7.127 4.032 4.037 16 HB3 ALA 2 2HB ALA 2 -7.709 2.417 3.634 17 H THR 3 H THR 3 -10.395 2.467 2.020 18 HA THR 3 HA THR 3 -12.390 1.447 3.921 19 HB THR 3 HB THR 3 -13.228 2.577 1.861 20 HG1 THR 3 HG1 THR 3 -14.156 0.081 1.312 21 HG21 THR 3 3HG2 THR 3 -12.013 0.214 0.426 22 HG22 THR 3 1HG2 THR 3 -11.459 1.884 0.314 23 HG23 THR 3 2HG2 THR 3 -13.054 1.442 -0.295 24 H ALA 4 H ALA 4 -13.143 -0.906 2.999 25 HA ALA 4 HA ALA 4 -11.140 -2.672 3.821 26 HB1 ALA 4 3HB ALA 4 -13.587 -3.281 2.166 27 HB2 ALA 4 1HB ALA 4 -13.513 -3.221 3.927 28 HB3 ALA 4 2HB ALA 4 -12.617 -4.460 3.049 29 H ASP 5 H ASP 5 -12.055 -1.590 0.608 30 HA ASP 5 HA ASP 5 -10.468 -3.381 -0.871 31 HB2 ASP 5 1HB ASP 5 -11.628 -0.679 -1.434 32 HB3 ASP 5 2HB ASP 5 -10.501 -1.408 -2.580 33 H ASP 6 H ASP 6 -9.701 -0.354 0.733 34 HA ASP 6 HA ASP 6 -7.091 -0.096 -0.392 35 HB2 ASP 6 1HB ASP 6 -8.271 1.077 2.136 36 HB3 ASP 6 2HB ASP 6 -6.679 1.490 1.501 37 H PHE 7 H PHE 7 -8.395 -1.521 2.566 38 HA PHE 7 HA PHE 7 -5.999 -2.365 3.712 39 HB2 PHE 7 1HB PHE 7 -8.793 -3.494 3.823 40 HB3 PHE 7 2HB PHE 7 -7.460 -4.195 4.733 41 HD1 PHE 7 HD2 PHE 7 -6.287 -2.781 6.443 42 HD2 PHE 7 HD1 PHE 7 -9.936 -1.605 4.607 43 HE1 PHE 7 HE2 PHE 7 -6.680 -1.176 8.265 44 HE2 PHE 7 HE1 PHE 7 -10.339 0.001 6.425 45 HZ PHE 7 HZ PHE 7 -8.711 0.217 8.258 46 H LYS 8 H LYS 8 -8.061 -3.838 1.282 47 HA LYS 8 HA LYS 8 -6.598 -6.248 1.001 48 HB2 LYS 8 1HB LYS 8 -8.891 -6.051 0.220 49 HB3 LYS 8 2HB LYS 8 -8.427 -4.797 -0.920 50 HG2 LYS 8 1HG LYS 8 -7.221 -6.342 -2.260 51 HG3 LYS 8 2HG LYS 8 -7.350 -7.604 -1.029 52 HD2 LYS 8 1HD LYS 8 -8.922 -8.013 -2.838 53 HD3 LYS 8 2HD LYS 8 -9.780 -7.653 -1.341 54 HE2 LYS 8 1HE LYS 8 -10.859 -6.503 -3.149 55 HE3 LYS 8 2HE LYS 8 -10.063 -5.318 -2.117 56 HZ1 LYS 8 3HZ LYS 8 -9.803 -5.002 -4.578 57 HZ2 LYS 8 1HZ LYS 8 -8.814 -6.378 -4.593 58 HZ3 LYS 8 2HZ LYS 8 -8.355 -5.011 -3.695 59 H LEU 9 H LEU 9 -6.318 -3.067 -0.440 60 HA LEU 9 HA LEU 9 -4.469 -3.801 -2.472 61 HB2 LEU 9 1HB LEU 9 -5.923 -1.758 -2.478 62 HB3 LEU 9 2HB LEU 9 -4.892 -1.079 -1.229 63 HG LEU 9 HG LEU 9 -3.706 -1.912 -3.860 64 HD11 LEU 9 1HD1 LEU 9 -5.626 -0.500 -4.401 65 HD12 LEU 9 2HD1 LEU 9 -4.103 0.334 -4.715 66 HD13 LEU 9 3HD1 LEU 9 -5.042 0.726 -3.275 67 HD21 LEU 9 3HD2 LEU 9 -2.135 -0.104 -3.329 68 HD22 LEU 9 1HD2 LEU 9 -2.188 -1.316 -2.049 69 HD23 LEU 9 2HD2 LEU 9 -3.021 0.224 -1.840 70 H ILE 10 H ILE 10 -4.098 -2.364 0.758 71 HA ILE 10 HA ILE 10 -1.281 -2.129 0.595 72 HB ILE 10 HB ILE 10 -2.647 -0.829 2.204 73 HG12 ILE 10 1HG1 ILE 10 -1.098 -1.045 4.133 74 HG13 ILE 10 2HG1 ILE 10 -0.476 -2.536 3.434 75 HG21 ILE 10 1HG2 ILE 10 -3.380 -1.846 4.296 76 HG22 ILE 10 2HG2 ILE 10 -2.872 -3.429 3.706 77 HG23 ILE 10 3HG2 ILE 10 -4.190 -2.571 2.906 78 HD11 ILE 10 3HD1 ILE 10 -0.309 0.204 2.204 79 HD12 ILE 10 1HD1 ILE 10 0.295 -1.287 1.479 80 HD13 ILE 10 2HD1 ILE 10 1.005 -0.684 2.976 81 H ARG 11 H ARG 11 -3.408 -4.746 1.454 82 HA ARG 11 HA ARG 11 -1.449 -6.420 2.658 83 HB2 ARG 11 1HB ARG 11 -3.941 -6.715 2.839 84 HB3 ARG 11 2HB ARG 11 -3.938 -7.276 1.173 85 HG2 ARG 11 1HG ARG 11 -2.382 -9.092 1.855 86 HG3 ARG 11 2HG ARG 11 -2.589 -8.572 3.529 87 HD2 ARG 11 1HD ARG 11 -4.088 -10.390 3.123 88 HD3 ARG 11 2HD ARG 11 -5.042 -8.912 3.258 89 HE ARG 11 HE ARG 11 -4.300 -10.060 0.640 90 HH11 ARG 11 1HH1 ARG 11 -6.678 -8.747 2.854 91 HH12 ARG 11 2HH1 ARG 11 -7.995 -8.866 1.721 92 HH21 ARG 11 1HH2 ARG 11 -6.015 -10.211 -0.860 93 HH22 ARG 11 2HH2 ARG 11 -7.617 -9.717 -0.393 94 H ASP 12 H ASP 12 -2.614 -5.926 -0.619 95 HA ASP 12 HA ASP 12 -1.283 -7.973 -1.964 96 HB2 ASP 12 1HB ASP 12 -2.968 -6.564 -3.036 97 HB3 ASP 12 2HB ASP 12 -1.915 -5.156 -2.890 98 H ILE 13 H ILE 13 -0.181 -4.806 -0.950 99 HA ILE 13 HA ILE 13 2.272 -4.669 -2.232 100 HB ILE 13 HB ILE 13 1.852 -3.677 0.579 101 HG12 ILE 13 1HG1 ILE 13 -0.137 -3.063 -0.739 102 HG13 ILE 13 2HG1 ILE 13 0.828 -1.653 -0.344 103 HG21 ILE 13 1HG2 ILE 13 3.436 -2.613 -1.757 104 HG22 ILE 13 2HG2 ILE 13 4.087 -3.422 -0.332 105 HG23 ILE 13 3HG2 ILE 13 3.309 -1.847 -0.174 106 HD11 ILE 13 3HD1 ILE 13 1.770 -1.680 -2.600 107 HD12 ILE 13 1HD1 ILE 13 0.011 -1.531 -2.610 108 HD13 ILE 13 2HD1 ILE 13 0.767 -3.079 -2.986 109 H HIS 14 H HIS 14 1.355 -6.237 0.783 110 HA HIS 14 HA HIS 14 4.006 -6.998 1.515 111 HB2 HIS 14 1HB HIS 14 1.320 -8.033 2.440 112 HB3 HIS 14 2HB HIS 14 2.860 -8.497 3.150 113 HD1 HIS 14 HD1 HIS 14 4.142 -6.629 4.494 114 HD2 HIS 14 HD2 HIS 14 0.294 -5.638 3.273 115 HE1 HIS 14 HE1 HIS 14 3.524 -4.557 5.792 116 HE2 HIS 14 HE2 HIS 14 1.135 -4.071 5.151 117 H SER 15 H SER 15 1.290 -8.592 -0.080 118 HA SER 15 HA SER 15 2.438 -11.153 -0.278 119 HB2 SER 15 1HB SER 15 0.367 -9.842 -2.057 120 HB3 SER 15 2HB SER 15 0.700 -11.574 -1.969 121 HG SER 15 HG SER 15 0.184 -11.368 0.332 122 H THR 16 H THR 16 2.992 -8.257 -2.071 123 HA THR 16 HA THR 16 4.185 -9.578 -4.337 124 HB THR 16 HB THR 16 4.403 -6.657 -3.569 125 HG1 THR 16 HG1 THR 16 2.188 -7.369 -3.752 126 HG21 THR 16 3HG2 THR 16 4.621 -8.068 -6.234 127 HG22 THR 16 1HG2 THR 16 5.957 -7.363 -5.325 128 HG23 THR 16 2HG2 THR 16 4.694 -6.324 -5.987 129 H GLY 17 H GLY 17 5.166 -9.039 -1.190 130 HA2 GLY 17 1HA GLY 17 7.305 -10.083 -0.604 131 HA3 GLY 17 2HA GLY 17 8.002 -9.263 -1.997 132 H GLY 18 H GLY 18 5.747 -7.532 -0.027 133 HA2 GLY 18 1HA GLY 18 6.170 -6.126 1.828 134 HA3 GLY 18 2HA GLY 18 7.898 -6.333 1.558 135 H ARG 19 H ARG 19 7.357 -5.811 -1.389 136 HA ARG 19 HA ARG 19 6.671 -2.980 -1.280 137 HB2 ARG 19 1HB ARG 19 8.562 -2.360 -2.725 138 HB3 ARG 19 2HB ARG 19 9.094 -2.969 -1.163 139 HG2 ARG 19 1HG ARG 19 8.988 -4.752 -3.570 140 HG3 ARG 19 2HG ARG 19 10.364 -3.691 -3.268 141 HD2 ARG 19 1HD ARG 19 10.537 -4.741 -0.992 142 HD3 ARG 19 2HD ARG 19 9.333 -5.915 -1.521 143 HE ARG 19 HE ARG 19 11.378 -5.892 -3.413 144 HH11 ARG 19 1HH1 ARG 19 10.865 -6.803 -0.082 145 HH12 ARG 19 2HH1 ARG 19 12.158 -7.961 -0.056 146 HH21 ARG 19 1HH2 ARG 19 13.087 -7.409 -3.401 147 HH22 ARG 19 2HH2 ARG 19 13.405 -8.330 -1.953 148 H ARG 20 H ARG 20 5.857 -2.134 -3.170 149 HA ARG 20 HA ARG 20 5.114 -4.108 -5.233 150 HB2 ARG 20 1HB ARG 20 3.258 -3.692 -3.666 151 HB3 ARG 20 2HB ARG 20 3.385 -1.965 -3.970 152 HG2 ARG 20 1HG ARG 20 1.524 -2.808 -5.180 153 HG3 ARG 20 2HG ARG 20 2.790 -2.404 -6.339 154 HD2 ARG 20 1HD ARG 20 3.236 -4.614 -6.822 155 HD3 ARG 20 2HD ARG 20 2.593 -5.186 -5.279 156 HE ARG 20 HE ARG 20 0.447 -5.149 -6.150 157 HH11 ARG 20 1HH1 ARG 20 2.749 -3.855 -8.468 158 HH12 ARG 20 2HH1 ARG 20 1.625 -3.881 -9.797 159 HH21 ARG 20 1HH2 ARG 20 -1.014 -5.223 -7.902 160 HH22 ARG 20 2HH2 ARG 20 -0.509 -4.678 -9.474 161 H GLN 21 H GLN 21 5.701 -3.440 -7.242 162 HA GLN 21 HA GLN 21 6.235 -0.565 -7.552 163 HB2 GLN 21 1HB GLN 21 7.729 -1.201 -9.436 164 HB3 GLN 21 2HB GLN 21 8.253 -1.806 -7.869 165 HG2 GLN 21 1HG GLN 21 7.261 -4.007 -8.462 166 HG3 GLN 21 2HG GLN 21 6.930 -3.367 -10.077 167 HE21 GLN 21 2HE2 GLN 21 8.660 -2.922 -11.459 168 HE22 GLN 21 1HE2 GLN 21 10.250 -3.561 -11.185 169 H VAL 22 H VAL 22 4.707 0.475 -8.521 170 HA VAL 22 HA VAL 22 3.071 -0.902 -10.544 171 HB VAL 22 HB VAL 22 2.415 1.649 -9.059 172 HG11 VAL 22 1HG1 VAL 22 0.128 1.213 -9.831 173 HG12 VAL 22 2HG1 VAL 22 0.702 -0.196 -10.720 174 HG13 VAL 22 3HG1 VAL 22 1.248 1.417 -11.178 175 HG21 VAL 22 3HG2 VAL 22 1.496 -1.164 -8.482 176 HG22 VAL 22 1HG2 VAL 22 0.913 0.296 -7.682 177 HG23 VAL 22 2HG2 VAL 22 2.593 -0.205 -7.488 178 H PHE 23 H PHE 23 3.018 -0.149 -12.598 179 HA PHE 23 HA PHE 23 5.064 1.692 -13.387 180 HB2 PHE 23 1HB PHE 23 2.892 0.347 -15.006 181 HB3 PHE 23 2HB PHE 23 4.226 1.272 -15.687 182 HD1 PHE 23 HD2 PHE 23 6.524 0.415 -15.555 183 HD2 PHE 23 HD1 PHE 23 3.202 -1.883 -14.216 184 HE1 PHE 23 HE2 PHE 23 7.916 -1.612 -15.589 185 HE2 PHE 23 HE1 PHE 23 4.590 -3.913 -14.248 186 HZ PHE 23 HZ PHE 23 6.948 -3.779 -14.936 187 H GLY 24 H GLY 24 1.526 1.718 -13.420 188 HA2 GLY 24 1HA GLY 24 1.118 4.319 -12.728 189 HA3 GLY 24 2HA GLY 24 1.419 4.398 -14.462 190 H SER 25 H SER 25 -0.276 4.277 -15.714 191 HA SER 25 HA SER 25 -2.451 4.256 -16.339 192 HB2 SER 25 1HB SER 25 -3.595 2.076 -16.134 193 HB3 SER 25 2HB SER 25 -1.931 1.895 -16.677 194 HG SER 25 HG SER 25 -1.767 1.730 -14.102 195 H ARG 26 H ARG 26 -4.770 3.112 -15.118 196 HA ARG 26 HA ARG 26 -5.227 5.137 -13.116 197 HB2 ARG 26 1HB ARG 26 -7.057 2.916 -14.045 198 HB3 ARG 26 2HB ARG 26 -7.525 4.296 -13.063 199 HG2 ARG 26 1HG ARG 26 -6.665 4.279 -15.940 200 HG3 ARG 26 2HG ARG 26 -8.221 4.765 -15.266 201 HD2 ARG 26 1HD ARG 26 -5.591 6.177 -14.820 202 HD3 ARG 26 2HD ARG 26 -6.854 6.695 -15.934 203 HE ARG 26 HE ARG 26 -8.003 6.474 -13.398 204 HH11 ARG 26 1HH1 ARG 26 -5.569 8.390 -15.027 205 HH12 ARG 26 2HH1 ARG 26 -5.824 9.801 -14.050 206 HH21 ARG 26 1HH2 ARG 26 -8.381 8.355 -12.125 207 HH22 ARG 26 2HH2 ARG 26 -7.424 9.784 -12.402 208 H GLU 27 H GLU 27 -4.123 1.955 -13.126 209 HA GLU 27 HA GLU 27 -5.123 0.970 -10.695 210 HB2 GLU 27 1HB GLU 27 -4.106 -0.523 -12.287 211 HB3 GLU 27 2HB GLU 27 -2.577 0.347 -12.199 212 HG2 GLU 27 1HG GLU 27 -2.264 -0.381 -9.911 213 HG3 GLU 27 2HG GLU 27 -3.835 -1.187 -9.933 214 H GLN 28 H GLN 28 -2.370 3.034 -11.418 215 HA GLN 28 HA GLN 28 -1.120 2.706 -8.880 216 HB2 GLN 28 1HB GLN 28 0.152 3.321 -10.873 217 HB3 GLN 28 2HB GLN 28 -0.732 4.840 -10.984 218 HG2 GLN 28 1HG GLN 28 0.245 5.623 -8.940 219 HG3 GLN 28 2HG GLN 28 1.012 4.062 -8.661 220 HE21 GLN 28 2HE2 GLN 28 2.841 3.516 -9.799 221 HE22 GLN 28 1HE2 GLN 28 3.745 4.665 -10.729 222 H LYS 29 H LYS 29 -3.715 4.686 -9.959 223 HA LYS 29 HA LYS 29 -3.400 7.010 -8.509 224 HB2 LYS 29 1HB LYS 29 -5.179 6.657 -10.173 225 HB3 LYS 29 2HB LYS 29 -6.015 5.598 -9.046 226 HG2 LYS 29 1HG LYS 29 -6.178 7.505 -7.464 227 HG3 LYS 29 2HG LYS 29 -5.486 8.541 -8.712 228 HD2 LYS 29 1HD LYS 29 -7.891 8.755 -8.721 229 HD3 LYS 29 2HD LYS 29 -7.364 7.947 -10.200 230 HE2 LYS 29 1HE LYS 29 -8.011 5.805 -9.327 231 HE3 LYS 29 2HE LYS 29 -8.357 6.505 -7.746 232 HZ1 LYS 29 3HZ LYS 29 -10.374 6.116 -9.028 233 HZ2 LYS 29 1HZ LYS 29 -9.810 7.137 -10.260 234 HZ3 LYS 29 2HZ LYS 29 -10.153 7.772 -8.727 235 HA PRO 30 HA PRO 30 -5.735 5.111 -4.692 236 HB2 PRO 30 1HB PRO 30 -5.627 2.378 -4.491 237 HB3 PRO 30 2HB PRO 30 -7.015 3.280 -5.109 238 HG2 PRO 30 1HG PRO 30 -4.842 1.883 -6.609 239 HG3 PRO 30 2HG PRO 30 -6.581 1.947 -6.952 240 HD2 PRO 30 1HD PRO 30 -4.814 3.454 -8.305 241 HD3 PRO 30 2HD PRO 30 -6.442 4.046 -7.912 242 H PHE 31 H PHE 31 -2.887 3.550 -6.059 243 HA PHE 31 HA PHE 31 -1.674 2.841 -3.607 244 HB2 PHE 31 1HB PHE 31 -0.541 3.361 -6.355 245 HB3 PHE 31 2HB PHE 31 0.463 2.885 -4.990 246 HD1 PHE 31 HD2 PHE 31 -2.344 1.811 -7.138 247 HD2 PHE 31 HD1 PHE 31 0.616 0.637 -4.320 248 HE1 PHE 31 HE2 PHE 31 -2.839 -0.552 -7.607 249 HE2 PHE 31 HE1 PHE 31 0.127 -1.727 -4.788 250 HZ PHE 31 HZ PHE 31 -1.603 -2.327 -6.431 251 H GLU 32 H GLU 32 -1.516 5.728 -5.628 252 HA GLU 32 HA GLU 32 0.356 7.120 -4.001 253 HB2 GLU 32 1HB GLU 32 -1.701 8.237 -5.919 254 HB3 GLU 32 2HB GLU 32 -0.326 9.113 -5.261 255 HG2 GLU 32 1HG GLU 32 1.184 7.517 -6.378 256 HG3 GLU 32 2HG GLU 32 -0.220 6.733 -7.099 257 H ASP 33 H ASP 33 -3.028 6.540 -3.811 258 HA ASP 33 HA ASP 33 -3.697 8.709 -2.088 259 HB2 ASP 33 1HB ASP 33 -5.346 7.419 -3.470 260 HB3 ASP 33 2HB ASP 33 -5.124 6.056 -2.372 261 H LEU 34 H LEU 34 -2.790 5.332 -1.584 262 HA LEU 34 HA LEU 34 -3.004 5.400 1.246 263 HB2 LEU 34 1HB LEU 34 -1.755 3.544 -0.722 264 HB3 LEU 34 2HB LEU 34 -1.280 3.418 0.963 265 HG LEU 34 HG LEU 34 -3.673 3.083 1.566 266 HD11 LEU 34 1HD1 LEU 34 -5.265 2.505 -0.192 267 HD12 LEU 34 2HD1 LEU 34 -4.067 2.926 -1.417 268 HD13 LEU 34 3HD1 LEU 34 -4.710 4.173 -0.346 269 HD21 LEU 34 3HD2 LEU 34 -2.542 1.131 -0.432 270 HD22 LEU 34 1HD2 LEU 34 -3.792 0.784 0.764 271 HD23 LEU 34 2HD2 LEU 34 -2.159 1.196 1.289 272 H VAL 35 H VAL 35 -0.551 6.431 -0.979 273 HA VAL 35 HA VAL 35 1.632 6.532 0.800 274 HB VAL 35 HB VAL 35 1.039 8.368 -1.532 275 HG11 VAL 35 1HG1 VAL 35 3.445 8.831 -1.526 276 HG12 VAL 35 2HG1 VAL 35 3.629 7.853 -0.070 277 HG13 VAL 35 3HG1 VAL 35 2.683 9.342 -0.019 278 HG21 VAL 35 3HG2 VAL 35 2.695 5.854 -1.371 279 HG22 VAL 35 1HG2 VAL 35 2.579 6.916 -2.774 280 HG23 VAL 35 2HG2 VAL 35 1.156 6.040 -2.212 281 H ASP 36 H ASP 36 -0.922 8.844 0.041 282 HA ASP 36 HA ASP 36 -0.059 10.913 1.745 283 HB2 ASP 36 1HB ASP 36 -1.706 11.398 0.065 284 HB3 ASP 36 2HB ASP 36 -2.809 10.187 0.722 285 H LEU 37 H LEU 37 -2.153 8.133 2.265 286 HA LEU 37 HA LEU 37 -2.975 8.811 4.883 287 HB2 LEU 37 1HB LEU 37 -2.801 6.107 3.551 288 HB3 LEU 37 2HB LEU 37 -3.680 6.460 5.027 289 HG LEU 37 HG LEU 37 -4.303 7.597 2.301 290 HD11 LEU 37 1HD1 LEU 37 -5.744 5.532 3.958 291 HD12 LEU 37 2HD1 LEU 37 -4.842 5.229 2.473 292 HD13 LEU 37 3HD1 LEU 37 -6.308 6.208 2.431 293 HD21 LEU 37 3HD2 LEU 37 -6.320 8.477 3.375 294 HD22 LEU 37 1HD2 LEU 37 -4.855 9.163 4.079 295 HD23 LEU 37 2HD2 LEU 37 -5.738 7.900 4.937 296 H GLY 38 H GLY 38 -0.084 7.436 3.614 297 HA2 GLY 38 1HA GLY 38 1.930 7.282 4.825 298 HA3 GLY 38 2HA GLY 38 1.002 7.270 6.321 299 H TRP 39 H TRP 39 0.015 5.206 3.734 300 HA TRP 39 HA TRP 39 0.857 2.866 5.293 301 HB2 TRP 39 1HB TRP 39 -1.076 3.177 2.981 302 HB3 TRP 39 2HB TRP 39 -0.649 1.625 3.700 303 HD1 TRP 39 HD1 TRP 39 -1.042 4.365 6.240 304 HE1 TRP 39 HE1 TRP 39 -3.279 4.075 7.494 305 HE3 TRP 39 HE3 TRP 39 -3.192 0.807 3.257 306 HZ2 TRP 39 HZ2 TRP 39 -5.611 2.559 7.246 307 HZ3 TRP 39 HZ3 TRP 39 -5.438 -0.010 3.841 308 HH2 TRP 39 HH2 TRP 39 -6.624 0.848 5.797 309 H LEU 40 H LEU 40 1.217 4.441 2.202 310 HA LEU 40 HA LEU 40 3.313 2.505 1.483 311 HB2 LEU 40 1HB LEU 40 1.359 3.983 -0.267 312 HB3 LEU 40 2HB LEU 40 2.813 3.234 -0.902 313 HG LEU 40 HG LEU 40 0.581 1.788 0.522 314 HD11 LEU 40 1HD1 LEU 40 -0.080 2.557 -1.692 315 HD12 LEU 40 2HD1 LEU 40 0.129 0.806 -1.669 316 HD13 LEU 40 3HD1 LEU 40 1.370 1.833 -2.388 317 HD21 LEU 40 3HD2 LEU 40 3.074 0.754 -0.821 318 HD22 LEU 40 1HD2 LEU 40 1.785 -0.229 -0.138 319 HD23 LEU 40 2HD2 LEU 40 2.768 0.782 0.915 320 H LYS 41 H LYS 41 5.195 3.296 0.563 321 HA LYS 41 HA LYS 41 5.500 6.202 0.403 322 HB2 LYS 41 1HB LYS 41 6.370 5.536 2.597 323 HB3 LYS 41 2HB LYS 41 7.405 4.332 1.833 324 HG2 LYS 41 1HG LYS 41 8.645 6.096 0.703 325 HG3 LYS 41 2HG LYS 41 7.589 7.313 1.430 326 HD2 LYS 41 1HD LYS 41 8.329 6.631 3.655 327 HD3 LYS 41 2HD LYS 41 9.373 5.402 2.938 328 HE2 LYS 41 1HE LYS 41 10.677 7.118 1.828 329 HE3 LYS 41 2HE LYS 41 9.598 8.369 2.445 330 HZ1 LYS 41 3HZ LYS 41 11.602 8.232 3.773 331 HZ2 LYS 41 1HZ LYS 41 11.312 6.591 4.094 332 HZ3 LYS 41 2HZ LYS 41 10.256 7.768 4.694 333 H ARG 42 H ARG 42 6.410 6.775 -1.464 334 HA ARG 42 HA ARG 42 7.558 4.664 -3.116 335 HB2 ARG 42 1HB ARG 42 7.380 6.490 -4.911 336 HB3 ARG 42 2HB ARG 42 5.893 5.755 -4.325 337 HG2 ARG 42 1HG ARG 42 5.523 7.689 -2.871 338 HG3 ARG 42 2HG ARG 42 7.012 8.424 -3.481 339 HD2 ARG 42 1HD ARG 42 6.111 8.578 -5.687 340 HD3 ARG 42 2HD ARG 42 4.701 7.621 -5.236 341 HE ARG 42 HE ARG 42 4.953 10.011 -3.675 342 HH11 ARG 42 1HH1 ARG 42 3.870 8.748 -6.746 343 HH12 ARG 42 2HH1 ARG 42 2.648 9.956 -6.973 344 HH21 ARG 42 1HH2 ARG 42 3.360 11.634 -3.978 345 HH22 ARG 42 2HH2 ARG 42 2.377 11.624 -5.409 346 H SER 43 H SER 43 9.649 4.412 -2.978 347 HA SER 43 HA SER 43 11.349 6.792 -2.668 348 HB2 SER 43 1HB SER 43 13.015 5.157 -1.684 349 HB3 SER 43 2HB SER 43 11.557 5.412 -0.723 350 HG SER 43 HG SER 43 12.496 3.125 -1.549 351 H SER 44 H SER 44 11.513 3.464 -3.941 352 HA SER 44 HA SER 44 13.562 4.286 -5.824 353 HB2 SER 44 1HB SER 44 13.749 2.146 -4.546 354 HB3 SER 44 2HB SER 44 12.335 1.546 -5.413 355 HG SER 44 HG SER 44 14.652 2.498 -6.746 356 H VAL 45 H VAL 45 13.123 4.919 -7.819 357 HA VAL 45 HA VAL 45 10.741 3.827 -9.159 358 HB VAL 45 HB VAL 45 11.728 6.670 -9.466 359 HG11 VAL 45 1HG1 VAL 45 9.263 5.295 -10.529 360 HG12 VAL 45 2HG1 VAL 45 10.671 5.785 -11.471 361 HG13 VAL 45 3HG1 VAL 45 9.648 7.007 -10.717 362 HG21 VAL 45 3HG2 VAL 45 9.297 5.661 -7.990 363 HG22 VAL 45 1HG2 VAL 45 9.706 7.354 -8.275 364 HG23 VAL 45 2HG2 VAL 45 10.745 6.355 -7.257 365 H ASP 46 H ASP 46 11.480 2.578 -10.764 366 HA ASP 46 HA ASP 46 13.632 3.670 -12.443 367 HB2 ASP 46 1HB ASP 46 14.551 1.440 -12.806 368 HB3 ASP 46 2HB ASP 46 14.558 1.832 -11.088 369 H SER 47 H SER 47 13.164 3.830 -14.488 370 HA SER 47 HA SER 47 11.754 4.080 -16.263 371 HB2 SER 47 1HB SER 47 11.261 1.710 -17.275 372 HB3 SER 47 2HB SER 47 12.912 2.317 -17.186 373 HG SER 47 HG SER 47 11.848 0.801 -15.063 374 H ARG 48 H ARG 48 10.082 5.005 -14.972 375 HA ARG 48 HA ARG 48 7.954 5.441 -14.509 376 HB2 ARG 48 1HB ARG 48 6.195 4.574 -15.858 377 HB3 ARG 48 2HB ARG 48 7.610 4.798 -16.867 378 HG2 ARG 48 1HG ARG 48 8.039 2.357 -16.701 379 HG3 ARG 48 2HG ARG 48 6.518 2.197 -15.823 380 HD2 ARG 48 1HD ARG 48 6.311 1.683 -18.232 381 HD3 ARG 48 2HD ARG 48 5.280 3.017 -17.716 382 HE ARG 48 HE ARG 48 7.422 4.340 -18.589 383 HH11 ARG 48 1HH1 ARG 48 5.759 1.625 -20.034 384 HH12 ARG 48 2HH1 ARG 48 6.036 2.157 -21.666 385 HH21 ARG 48 1HH2 ARG 48 7.778 5.057 -20.727 386 HH22 ARG 48 2HH2 ARG 48 7.157 4.128 -22.060 387 H ALA 49 H ALA 49 8.990 2.219 -13.805 388 HA ALA 49 HA ALA 49 6.680 1.531 -12.254 389 HB1 ALA 49 3HB ALA 49 9.439 0.314 -12.209 390 HB2 ALA 49 1HB ALA 49 8.108 -0.193 -13.250 391 HB3 ALA 49 2HB ALA 49 7.982 -0.381 -11.501 392 H THR 50 H THR 50 6.166 2.463 -10.439 393 HA THR 50 HA THR 50 8.229 3.710 -8.780 394 HB THR 50 HB THR 50 5.215 3.908 -8.568 395 HG1 THR 50 HG1 THR 50 6.605 4.813 -10.497 396 HG21 THR 50 3HG2 THR 50 5.679 5.880 -7.199 397 HG22 THR 50 1HG2 THR 50 7.412 5.604 -7.371 398 HG23 THR 50 2HG2 THR 50 6.418 4.443 -6.491 399 H HIS 51 H HIS 51 8.973 2.659 -7.053 400 HA HIS 51 HA HIS 51 7.624 0.240 -6.159 401 HB2 HIS 51 1HB HIS 51 10.274 1.460 -5.345 402 HB3 HIS 51 2HB HIS 51 9.651 -0.077 -4.748 403 HD1 HIS 51 HD1 HIS 51 10.941 -1.879 -5.810 404 HD2 HIS 51 HD2 HIS 51 10.133 1.205 -8.476 405 HE1 HIS 51 HE1 HIS 51 11.918 -2.608 -8.008 406 HE2 HIS 51 HE2 HIS 51 11.660 -0.601 -9.519 407 H TYR 52 H TYR 52 6.184 0.300 -4.601 408 HA TYR 52 HA TYR 52 6.296 2.438 -2.605 409 HB2 TYR 52 1HB TYR 52 4.115 0.436 -3.240 410 HB3 TYR 52 2HB TYR 52 4.009 1.696 -2.009 411 HD1 TYR 52 HD2 TYR 52 3.921 4.066 -2.671 412 HD2 TYR 52 HD1 TYR 52 3.809 0.945 -5.557 413 HE1 TYR 52 HE2 TYR 52 3.095 5.660 -4.359 414 HE2 TYR 52 HE1 TYR 52 2.988 2.527 -7.249 415 HH TYR 52 HH TYR 52 3.020 5.898 -6.789 416 H GLN 53 H GLN 53 7.197 2.046 -0.738 417 HA GLN 53 HA GLN 53 7.640 -0.711 0.130 418 HB2 GLN 53 1HB GLN 53 9.559 0.829 0.050 419 HB3 GLN 53 2HB GLN 53 8.739 1.912 1.165 420 HG2 GLN 53 1HG GLN 53 10.418 0.658 2.335 421 HG3 GLN 53 2HG GLN 53 8.819 0.169 2.892 422 HE21 GLN 53 2HE2 GLN 53 8.169 -1.896 2.620 423 HE22 GLN 53 1HE2 GLN 53 9.165 -3.152 1.973 424 H ILE 54 H ILE 54 6.580 -1.593 1.799 425 HA ILE 54 HA ILE 54 4.370 -0.392 3.024 426 HB ILE 54 HB ILE 54 4.443 -2.259 4.637 427 HG12 ILE 54 1HG1 ILE 54 6.977 -3.040 3.173 428 HG13 ILE 54 2HG1 ILE 54 6.910 -2.426 4.821 429 HG21 ILE 54 1HG2 ILE 54 4.109 -4.033 2.983 430 HG22 ILE 54 2HG2 ILE 54 4.884 -3.028 1.757 431 HG23 ILE 54 3HG2 ILE 54 3.357 -2.519 2.479 432 HD11 ILE 54 3HD1 ILE 54 5.652 -4.986 3.859 433 HD12 ILE 54 1HD1 ILE 54 5.659 -4.381 5.516 434 HD13 ILE 54 2HD1 ILE 54 7.173 -4.851 4.743 435 H THR 55 H THR 55 4.126 0.886 4.735 436 HA THR 55 HA THR 55 6.476 1.668 6.274 437 HB THR 55 HB THR 55 4.967 3.384 7.245 438 HG1 THR 55 HG1 THR 55 2.852 3.562 6.266 439 HG21 THR 55 3HG2 THR 55 4.656 4.712 5.208 440 HG22 THR 55 1HG2 THR 55 4.897 3.269 4.224 441 HG23 THR 55 2HG2 THR 55 6.222 3.902 5.201 442 H GLU 56 H GLU 56 5.697 2.196 8.718 443 HA GLU 56 HA GLU 56 5.217 -0.264 10.015 444 HB2 GLU 56 1HB GLU 56 6.360 1.800 10.965 445 HB3 GLU 56 2HB GLU 56 4.764 2.506 11.153 446 HG2 GLU 56 1HG GLU 56 5.536 -0.099 12.428 447 HG3 GLU 56 2HG GLU 56 5.822 1.458 13.197 448 H ARG 57 H ARG 57 3.175 2.495 9.185 449 HA ARG 57 HA ARG 57 0.761 1.501 10.267 450 HB2 ARG 57 1HB ARG 57 1.208 3.394 7.954 451 HB3 ARG 57 2HB ARG 57 -0.339 3.123 8.751 452 HG2 ARG 57 1HG ARG 57 0.543 4.026 10.819 453 HG3 ARG 57 2HG ARG 57 2.129 4.229 10.072 454 HD2 ARG 57 1HD ARG 57 1.169 5.799 8.461 455 HD3 ARG 57 2HD ARG 57 -0.420 5.592 9.207 456 HE ARG 57 HE ARG 57 1.410 6.386 11.184 457 HH11 ARG 57 1HH1 ARG 57 -0.142 7.683 8.326 458 HH12 ARG 57 2HH1 ARG 57 -0.111 9.320 8.903 459 HH21 ARG 57 1HH2 ARG 57 1.440 8.519 11.944 460 HH22 ARG 57 2HH2 ARG 57 0.755 9.800 10.982 461 H GLY 58 H GLY 58 2.133 1.349 7.002 462 HA2 GLY 58 1HA GLY 58 -0.001 -0.014 5.780 463 HA3 GLY 58 2HA GLY 58 1.665 -0.014 5.209 464 H THR 59 H THR 59 2.708 -1.215 7.648 465 HA THR 59 HA THR 59 2.252 -3.966 7.014 466 HB THR 59 HB THR 59 3.699 -2.810 9.408 467 HG1 THR 59 HG1 THR 59 4.722 -2.064 7.567 468 HG21 THR 59 3HG2 THR 59 3.137 -5.190 9.643 469 HG22 THR 59 1HG2 THR 59 4.875 -4.959 9.447 470 HG23 THR 59 2HG2 THR 59 3.901 -5.523 8.089 471 H SER 60 H SER 60 1.247 -1.795 9.587 472 HA SER 60 HA SER 60 -0.036 -3.779 11.165 473 HB2 SER 60 1HB SER 60 0.730 -1.680 12.151 474 HB3 SER 60 2HB SER 60 -0.369 -0.768 11.113 475 HG SER 60 HG SER 60 -1.084 -2.626 13.156 476 H ALA 61 H ALA 61 -1.177 -1.421 8.771 477 HA ALA 61 HA ALA 61 -3.919 -1.726 9.168 478 HB1 ALA 61 3HB ALA 61 -2.500 -1.026 6.603 479 HB2 ALA 61 1HB ALA 61 -2.899 0.104 7.898 480 HB3 ALA 61 2HB ALA 61 -4.187 -0.691 6.995 481 H ALA 62 H ALA 62 -1.720 -3.491 7.053 482 HA ALA 62 HA ALA 62 -3.726 -4.949 5.683 483 HB1 ALA 62 3HB ALA 62 -1.451 -4.652 4.812 484 HB2 ALA 62 1HB ALA 62 -1.924 -6.350 4.880 485 HB3 ALA 62 2HB ALA 62 -0.835 -5.688 6.099 486 H LEU 63 H LEU 63 -2.243 -5.324 8.784 487 HA LEU 63 HA LEU 63 -3.206 -8.076 9.022 488 HB2 LEU 63 1HB LEU 63 -0.910 -7.430 9.799 489 HB3 LEU 63 2HB LEU 63 -1.665 -6.434 11.034 490 HG LEU 63 HG LEU 63 -2.702 -8.454 12.008 491 HD11 LEU 63 1HD1 LEU 63 -2.829 -9.809 9.983 492 HD12 LEU 63 2HD1 LEU 63 -1.981 -10.665 11.271 493 HD13 LEU 63 3HD1 LEU 63 -1.070 -9.934 9.949 494 HD21 LEU 63 3HD2 LEU 63 0.290 -8.602 11.666 495 HD22 LEU 63 1HD2 LEU 63 -0.643 -9.420 12.921 496 HD23 LEU 63 2HD2 LEU 63 -0.578 -7.658 12.877 497 H ARG 64 H ARG 64 -4.392 -5.015 9.469 498 HA ARG 64 HA ARG 64 -5.902 -5.522 11.881 499 HB2 ARG 64 1HB ARG 64 -6.066 -3.255 9.887 500 HB3 ARG 64 2HB ARG 64 -6.984 -3.338 11.382 501 HG2 ARG 64 1HG ARG 64 -4.946 -3.264 12.680 502 HG3 ARG 64 2HG ARG 64 -3.980 -3.287 11.203 503 HD2 ARG 64 1HD ARG 64 -5.099 -1.155 10.535 504 HD3 ARG 64 2HD ARG 64 -5.857 -1.117 12.127 505 HE ARG 64 HE ARG 64 -3.052 -1.400 12.386 506 HH11 ARG 64 1HH1 ARG 64 -5.467 0.983 11.513 507 HH12 ARG 64 2HH1 ARG 64 -4.515 2.331 12.054 508 HH21 ARG 64 1HH2 ARG 64 -1.789 0.361 13.061 509 HH22 ARG 64 2HH2 ARG 64 -2.412 1.977 12.921 510 H SER 65 H SER 65 -6.816 -7.521 11.005 511 HA SER 65 HA SER 65 -9.363 -6.968 9.682 512 HB2 SER 65 1HB SER 65 -7.484 -9.210 8.890 513 HB3 SER 65 2HB SER 65 -9.113 -8.968 8.258 514 HG SER 65 HG SER 65 -8.448 -7.088 7.278 Start of MODEL 5 1 H1 MET 1 1H MET 1 -10.876 7.279 5.978 2 H2 MET 1 2H MET 1 -12.397 6.545 6.095 3 H3 MET 1 3H MET 1 -12.265 8.237 6.160 4 HA MET 1 HA MET 1 -13.069 7.577 4.020 5 HB2 MET 1 1HB MET 1 -11.562 9.516 4.132 6 HB3 MET 1 2HB MET 1 -10.174 8.450 3.934 7 HG2 MET 1 1HG MET 1 -11.044 7.797 1.717 8 HG3 MET 1 2HG MET 1 -12.347 8.972 1.918 9 HE1 MET 1 3HE MET 1 -7.877 10.090 1.680 10 HE2 MET 1 1HE MET 1 -8.484 8.438 1.552 11 HE3 MET 1 2HE MET 1 -8.607 9.306 3.081 12 H ALA 2 H ALA 2 -10.009 6.029 4.876 13 HA ALA 2 HA ALA 2 -9.826 4.372 2.594 14 HB1 ALA 2 3HB ALA 2 -8.732 3.896 5.366 15 HB2 ALA 2 1HB ALA 2 -7.926 4.801 4.085 16 HB3 ALA 2 2HB ALA 2 -8.221 3.072 3.893 17 H THR 3 H THR 3 -10.705 2.436 2.119 18 HA THR 3 HA THR 3 -12.543 1.292 4.125 19 HB THR 3 HB THR 3 -13.719 2.409 2.233 20 HG1 THR 3 HG1 THR 3 -14.899 0.801 3.140 21 HG21 THR 3 3HG2 THR 3 -12.098 1.988 0.458 22 HG22 THR 3 1HG2 THR 3 -13.685 1.356 0.015 23 HG23 THR 3 2HG2 THR 3 -12.419 0.257 0.560 24 H ALA 4 H ALA 4 -13.174 -1.078 3.178 25 HA ALA 4 HA ALA 4 -10.918 -2.656 3.696 26 HB1 ALA 4 3HB ALA 4 -12.308 -4.559 3.131 27 HB2 ALA 4 1HB ALA 4 -13.471 -3.500 2.335 28 HB3 ALA 4 2HB ALA 4 -13.231 -3.394 4.079 29 H ASP 5 H ASP 5 -12.281 -1.518 0.679 30 HA ASP 5 HA ASP 5 -10.876 -3.141 -1.116 31 HB2 ASP 5 1HB ASP 5 -12.688 -1.559 -1.761 32 HB3 ASP 5 2HB ASP 5 -11.575 -0.218 -1.484 33 H ASP 6 H ASP 6 -9.940 -0.168 0.525 34 HA ASP 6 HA ASP 6 -7.407 0.097 -0.735 35 HB2 ASP 6 1HB ASP 6 -8.355 1.170 1.937 36 HB3 ASP 6 2HB ASP 6 -6.886 1.673 1.101 37 H PHE 7 H PHE 7 -8.566 -1.511 2.161 38 HA PHE 7 HA PHE 7 -6.109 -2.346 3.186 39 HB2 PHE 7 1HB PHE 7 -8.899 -3.435 3.399 40 HB3 PHE 7 2HB PHE 7 -7.540 -4.285 4.127 41 HD1 PHE 7 HD1 PHE 7 -6.290 -3.264 5.974 42 HD2 PHE 7 HD2 PHE 7 -9.753 -1.418 4.340 43 HE1 PHE 7 HE1 PHE 7 -6.459 -1.832 7.966 44 HE2 PHE 7 HE2 PHE 7 -9.929 0.023 6.327 45 HZ PHE 7 HZ PHE 7 -8.280 -0.185 8.146 46 H LYS 8 H LYS 8 -8.196 -3.731 0.705 47 HA LYS 8 HA LYS 8 -6.813 -6.146 0.309 48 HB2 LYS 8 1HB LYS 8 -8.153 -4.489 -1.835 49 HB3 LYS 8 2HB LYS 8 -7.812 -6.210 -1.900 50 HG2 LYS 8 1HG LYS 8 -9.411 -6.602 -0.101 51 HG3 LYS 8 2HG LYS 8 -9.752 -4.865 -0.031 52 HD2 LYS 8 1HD LYS 8 -10.391 -5.009 -2.464 53 HD3 LYS 8 2HD LYS 8 -10.284 -6.763 -2.311 54 HE2 LYS 8 1HE LYS 8 -11.985 -6.708 -0.551 55 HE3 LYS 8 2HE LYS 8 -12.097 -4.956 -0.717 56 HZ1 LYS 8 3HZ LYS 8 -12.924 -7.037 -2.648 57 HZ2 LYS 8 1HZ LYS 8 -12.660 -5.434 -3.134 58 HZ3 LYS 8 2HZ LYS 8 -13.851 -5.782 -1.983 59 H LEU 9 H LEU 9 -6.363 -2.923 -1.018 60 HA LEU 9 HA LEU 9 -4.381 -3.623 -2.906 61 HB2 LEU 9 1HB LEU 9 -5.844 -1.544 -2.855 62 HB3 LEU 9 2HB LEU 9 -4.755 -0.916 -1.631 63 HG LEU 9 HG LEU 9 -3.744 -1.765 -4.338 64 HD11 LEU 9 1HD1 LEU 9 -4.774 0.953 -3.544 65 HD12 LEU 9 2HD1 LEU 9 -5.531 -0.145 -4.697 66 HD13 LEU 9 3HD1 LEU 9 -3.953 0.555 -5.054 67 HD21 LEU 9 3HD2 LEU 9 -2.723 0.199 -2.289 68 HD22 LEU 9 1HD2 LEU 9 -1.956 -0.182 -3.830 69 HD23 LEU 9 2HD2 LEU 9 -2.083 -1.419 -2.578 70 H ILE 10 H ILE 10 -4.156 -2.189 0.364 71 HA ILE 10 HA ILE 10 -1.324 -2.110 0.357 72 HB ILE 10 HB ILE 10 -2.686 -0.736 1.897 73 HG12 ILE 10 1HG1 ILE 10 -1.261 -1.069 3.912 74 HG13 ILE 10 2HG1 ILE 10 -0.693 -2.585 3.221 75 HG21 ILE 10 1HG2 ILE 10 -3.165 -3.315 3.379 76 HG22 ILE 10 2HG2 ILE 10 -4.376 -2.385 2.499 77 HG23 ILE 10 3HG2 ILE 10 -3.612 -1.702 3.934 78 HD11 ILE 10 3HD1 ILE 10 -0.302 0.153 2.042 79 HD12 ILE 10 1HD1 ILE 10 0.250 -1.362 1.329 80 HD13 ILE 10 2HD1 ILE 10 0.918 -0.819 2.868 81 H ARG 11 H ARG 11 -3.647 -4.582 1.164 82 HA ARG 11 HA ARG 11 -1.913 -6.419 2.431 83 HB2 ARG 11 1HB ARG 11 -4.412 -6.550 2.377 84 HB3 ARG 11 2HB ARG 11 -4.314 -7.008 0.684 85 HG2 ARG 11 1HG ARG 11 -2.983 -8.996 1.377 86 HG3 ARG 11 2HG ARG 11 -3.314 -8.558 3.057 87 HD2 ARG 11 1HD ARG 11 -5.765 -8.589 2.445 88 HD3 ARG 11 2HD ARG 11 -5.287 -9.329 0.918 89 HE ARG 11 HE ARG 11 -4.810 -10.537 3.565 90 HH11 ARG 11 1HH1 ARG 11 -5.432 -10.819 0.130 91 HH12 ARG 11 2HH1 ARG 11 -5.686 -12.536 0.188 92 HH21 ARG 11 1HH2 ARG 11 -5.163 -12.788 3.660 93 HH22 ARG 11 2HH2 ARG 11 -5.532 -13.665 2.201 94 H ASP 12 H ASP 12 -2.833 -5.883 -0.923 95 HA ASP 12 HA ASP 12 -1.502 -7.982 -2.171 96 HB2 ASP 12 1HB ASP 12 -3.089 -6.632 -3.373 97 HB3 ASP 12 2HB ASP 12 -2.130 -5.177 -3.114 98 H ILE 13 H ILE 13 -0.321 -4.851 -1.126 99 HA ILE 13 HA ILE 13 2.178 -4.838 -2.362 100 HB ILE 13 HB ILE 13 1.735 -3.725 0.397 101 HG12 ILE 13 1HG1 ILE 13 -0.213 -3.098 -0.976 102 HG13 ILE 13 2HG1 ILE 13 0.793 -1.708 -0.609 103 HG21 ILE 13 1HG2 ILE 13 3.988 -3.570 -0.485 104 HG22 ILE 13 2HG2 ILE 13 3.255 -1.966 -0.414 105 HG23 ILE 13 3HG2 ILE 13 3.384 -2.809 -1.957 106 HD11 ILE 13 3HD1 ILE 13 0.019 -1.637 -2.892 107 HD12 ILE 13 1HD1 ILE 13 0.733 -3.219 -3.203 108 HD13 ILE 13 2HD1 ILE 13 1.771 -1.839 -2.844 109 H HIS 14 H HIS 14 1.088 -6.267 0.654 110 HA HIS 14 HA HIS 14 3.686 -7.100 1.513 111 HB2 HIS 14 1HB HIS 14 0.899 -7.864 2.388 112 HB3 HIS 14 2HB HIS 14 2.359 -8.490 3.152 113 HD1 HIS 14 HD1 HIS 14 3.777 -6.787 4.559 114 HD2 HIS 14 HD2 HIS 14 0.194 -5.300 3.073 115 HE1 HIS 14 HE1 HIS 14 3.390 -4.609 5.768 116 HE2 HIS 14 HE2 HIS 14 1.102 -3.860 5.019 117 H SER 15 H SER 15 1.046 -8.476 -0.299 118 HA SER 15 HA SER 15 1.854 -11.161 -0.296 119 HB2 SER 15 1HB SER 15 -0.372 -10.157 -1.072 120 HB3 SER 15 2HB SER 15 0.441 -9.809 -2.596 121 HG SER 15 HG SER 15 -0.124 -12.313 -1.412 122 H THR 16 H THR 16 2.930 -8.405 -2.205 123 HA THR 16 HA THR 16 4.540 -10.092 -3.936 124 HB THR 16 HB THR 16 5.397 -7.825 -4.774 125 HG1 THR 16 HG1 THR 16 4.759 -6.190 -3.610 126 HG21 THR 16 3HG2 THR 16 3.395 -7.456 -6.131 127 HG22 THR 16 1HG2 THR 16 2.459 -8.471 -5.033 128 HG23 THR 16 2HG2 THR 16 3.763 -9.176 -5.991 129 H GLY 17 H GLY 17 4.915 -9.444 -0.850 130 HA2 GLY 17 1HA GLY 17 6.983 -10.185 0.159 131 HA3 GLY 17 2HA GLY 17 7.851 -9.357 -1.128 132 H GLY 18 H GLY 18 5.575 -7.207 -0.483 133 HA2 GLY 18 1HA GLY 18 5.391 -5.659 1.393 134 HA3 GLY 18 2HA GLY 18 7.086 -5.993 1.749 135 H ARG 19 H ARG 19 6.959 -5.918 -1.476 136 HA ARG 19 HA ARG 19 7.117 -3.002 -1.723 137 HB2 ARG 19 1HB ARG 19 9.411 -4.050 -1.464 138 HB3 ARG 19 2HB ARG 19 9.115 -4.895 -2.980 139 HG2 ARG 19 1HG ARG 19 9.001 -2.819 -4.179 140 HG3 ARG 19 2HG ARG 19 9.105 -1.899 -2.675 141 HD2 ARG 19 1HD ARG 19 11.232 -3.688 -3.849 142 HD3 ARG 19 2HD ARG 19 11.266 -1.926 -3.768 143 HE ARG 19 HE ARG 19 11.024 -3.320 -1.227 144 HH11 ARG 19 1HH1 ARG 19 13.191 -1.799 -3.538 145 HH12 ARG 19 2HH1 ARG 19 14.447 -1.534 -2.360 146 HH21 ARG 19 1HH2 ARG 19 12.654 -2.979 0.290 147 HH22 ARG 19 2HH2 ARG 19 14.140 -2.203 -0.178 148 H ARG 20 H ARG 20 6.190 -2.236 -3.565 149 HA ARG 20 HA ARG 20 5.382 -4.173 -5.627 150 HB2 ARG 20 1HB ARG 20 3.554 -3.889 -3.965 151 HB3 ARG 20 2HB ARG 20 3.551 -2.161 -4.303 152 HG2 ARG 20 1HG ARG 20 1.732 -3.212 -5.463 153 HG3 ARG 20 2HG ARG 20 2.927 -2.657 -6.639 154 HD2 ARG 20 1HD ARG 20 3.337 -4.733 -7.361 155 HD3 ARG 20 2HD ARG 20 3.403 -5.381 -5.720 156 HE ARG 20 HE ARG 20 0.902 -5.381 -5.811 157 HH11 ARG 20 1HH1 ARG 20 2.791 -5.537 -8.770 158 HH12 ARG 20 2HH1 ARG 20 1.539 -6.360 -9.660 159 HH21 ARG 20 1HH2 ARG 20 -0.689 -6.496 -6.938 160 HH22 ARG 20 2HH2 ARG 20 -0.443 -6.925 -8.609 161 H GLN 21 H GLN 21 6.067 -3.408 -7.547 162 HA GLN 21 HA GLN 21 6.411 -0.517 -7.850 163 HB2 GLN 21 1HB GLN 21 7.727 -1.008 -9.830 164 HB3 GLN 21 2HB GLN 21 8.321 -1.945 -8.463 165 HG2 GLN 21 1HG GLN 21 7.290 -3.938 -9.306 166 HG3 GLN 21 2HG GLN 21 6.484 -3.028 -10.589 167 HE21 GLN 21 2HE2 GLN 21 8.311 -5.280 -10.805 168 HE22 GLN 21 1HE2 GLN 21 9.640 -4.732 -11.773 169 H VAL 22 H VAL 22 5.134 0.698 -9.058 170 HA VAL 22 HA VAL 22 3.306 -0.619 -10.962 171 HB VAL 22 HB VAL 22 2.641 1.787 -9.250 172 HG11 VAL 22 1HG1 VAL 22 0.928 0.156 -11.125 173 HG12 VAL 22 2HG1 VAL 22 1.507 1.798 -11.409 174 HG13 VAL 22 3HG1 VAL 22 0.363 1.479 -10.104 175 HG21 VAL 22 3HG2 VAL 22 1.675 -1.060 -9.008 176 HG22 VAL 22 1HG2 VAL 22 1.098 0.308 -8.058 177 HG23 VAL 22 2HG2 VAL 22 2.768 -0.237 -7.895 178 H PHE 23 H PHE 23 3.316 0.240 -12.983 179 HA PHE 23 HA PHE 23 5.253 2.315 -13.519 180 HB2 PHE 23 1HB PHE 23 4.757 1.894 -15.898 181 HB3 PHE 23 2HB PHE 23 5.144 0.415 -15.030 182 HD1 PHE 23 HD1 PHE 23 2.428 2.364 -16.580 183 HD2 PHE 23 HD2 PHE 23 3.566 -1.342 -14.828 184 HE1 PHE 23 HE1 PHE 23 0.354 1.339 -17.410 185 HE2 PHE 23 HE2 PHE 23 1.491 -2.373 -15.654 186 HZ PHE 23 HZ PHE 23 -0.118 -1.031 -16.948 187 H GLY 24 H GLY 24 1.916 2.247 -12.907 188 HA2 GLY 24 1HA GLY 24 1.275 4.712 -12.487 189 HA3 GLY 24 2HA GLY 24 1.544 4.850 -14.221 190 H SER 25 H SER 25 -0.497 5.355 -14.799 191 HA SER 25 HA SER 25 -2.583 4.957 -15.582 192 HB2 SER 25 1HB SER 25 -2.160 2.108 -14.648 193 HB3 SER 25 2HB SER 25 -3.455 2.666 -15.706 194 HG SER 25 HG SER 25 -0.925 3.364 -16.545 195 H ARG 26 H ARG 26 -4.738 3.608 -14.628 196 HA ARG 26 HA ARG 26 -5.619 5.291 -12.583 197 HB2 ARG 26 1HB ARG 26 -6.761 2.584 -13.312 198 HB3 ARG 26 2HB ARG 26 -7.587 3.841 -12.411 199 HG2 ARG 26 1HG ARG 26 -8.475 3.916 -14.575 200 HG3 ARG 26 2HG ARG 26 -7.364 5.282 -14.481 201 HD2 ARG 26 1HD ARG 26 -7.309 3.833 -16.592 202 HD3 ARG 26 2HD ARG 26 -5.772 4.230 -15.826 203 HE ARG 26 HE ARG 26 -6.658 1.801 -14.763 204 HH11 ARG 26 1HH1 ARG 26 -5.653 3.055 -17.884 205 HH12 ARG 26 2HH1 ARG 26 -4.921 1.554 -18.382 206 HH21 ARG 26 1HH2 ARG 26 -5.650 -0.143 -15.400 207 HH22 ARG 26 2HH2 ARG 26 -4.931 -0.254 -16.981 208 H GLU 27 H GLU 27 -4.203 2.101 -12.494 209 HA GLU 27 HA GLU 27 -4.986 1.329 -9.927 210 HB2 GLU 27 1HB GLU 27 -2.588 0.537 -11.579 211 HB3 GLU 27 2HB GLU 27 -3.042 -0.248 -10.074 212 HG2 GLU 27 1HG GLU 27 -3.832 -1.610 -11.831 213 HG3 GLU 27 2HG GLU 27 -5.241 -0.812 -11.132 214 H GLN 28 H GLN 28 -2.340 3.374 -10.997 215 HA GLN 28 HA GLN 28 -0.842 3.048 -8.574 216 HB2 GLN 28 1HB GLN 28 0.262 3.560 -10.712 217 HB3 GLN 28 2HB GLN 28 -0.538 5.131 -10.742 218 HG2 GLN 28 1HG GLN 28 0.634 5.782 -8.713 219 HG3 GLN 28 2HG GLN 28 1.413 4.203 -8.643 220 HE21 GLN 28 2HE2 GLN 28 3.069 3.730 -10.054 221 HE22 GLN 28 1HE2 GLN 28 3.866 4.948 -10.994 222 H LYS 29 H LYS 29 -3.438 5.105 -9.542 223 HA LYS 29 HA LYS 29 -2.863 7.353 -7.983 224 HB2 LYS 29 1HB LYS 29 -5.464 6.249 -8.991 225 HB3 LYS 29 2HB LYS 29 -5.402 7.705 -8.006 226 HG2 LYS 29 1HG LYS 29 -3.690 8.541 -9.740 227 HG3 LYS 29 2HG LYS 29 -4.320 7.243 -10.757 228 HD2 LYS 29 1HD LYS 29 -6.540 8.153 -10.639 229 HD3 LYS 29 2HD LYS 29 -6.028 9.362 -9.461 230 HE2 LYS 29 1HE LYS 29 -4.470 10.268 -11.194 231 HE3 LYS 29 2HE LYS 29 -5.207 9.163 -12.354 232 HZ1 LYS 29 3HZ LYS 29 -6.584 11.336 -10.867 233 HZ2 LYS 29 1HZ LYS 29 -7.358 10.227 -11.892 234 HZ3 LYS 29 2HZ LYS 29 -6.225 11.317 -12.525 235 HA PRO 30 HA PRO 30 -5.411 5.384 -4.337 236 HB2 PRO 30 1HB PRO 30 -5.400 2.630 -4.350 237 HB3 PRO 30 2HB PRO 30 -6.770 3.639 -4.828 238 HG2 PRO 30 1HG PRO 30 -4.742 2.262 -6.529 239 HG3 PRO 30 2HG PRO 30 -6.479 2.483 -6.807 240 HD2 PRO 30 1HD PRO 30 -4.626 3.972 -8.072 241 HD3 PRO 30 2HD PRO 30 -6.206 4.636 -7.601 242 H PHE 31 H PHE 31 -2.656 3.799 -5.849 243 HA PHE 31 HA PHE 31 -1.323 3.000 -3.497 244 HB2 PHE 31 1HB PHE 31 -0.397 3.663 -6.277 245 HB3 PHE 31 2HB PHE 31 0.770 3.343 -5.001 246 HD1 PHE 31 HD1 PHE 31 -2.238 1.842 -6.602 247 HD2 PHE 31 HD2 PHE 31 1.476 1.189 -4.643 248 HE1 PHE 31 HE1 PHE 31 -2.434 -0.570 -7.047 249 HE2 PHE 31 HE2 PHE 31 1.288 -1.223 -5.080 250 HZ PHE 31 HZ PHE 31 -0.669 -2.107 -6.283 251 H GLU 32 H GLU 32 -1.219 5.977 -5.400 252 HA GLU 32 HA GLU 32 0.655 7.339 -3.762 253 HB2 GLU 32 1HB GLU 32 -1.518 8.536 -5.491 254 HB3 GLU 32 2HB GLU 32 -0.081 9.359 -4.904 255 HG2 GLU 32 1HG GLU 32 1.298 7.779 -6.222 256 HG3 GLU 32 2HG GLU 32 -0.190 7.102 -6.886 257 H ASP 33 H ASP 33 -2.793 6.895 -3.664 258 HA ASP 33 HA ASP 33 -3.395 8.932 -1.794 259 HB2 ASP 33 1HB ASP 33 -5.035 7.721 -3.303 260 HB3 ASP 33 2HB ASP 33 -4.934 6.361 -2.183 261 H LEU 34 H LEU 34 -2.564 5.519 -1.481 262 HA LEU 34 HA LEU 34 -2.895 5.390 1.325 263 HB2 LEU 34 1HB LEU 34 -1.230 3.707 -0.541 264 HB3 LEU 34 2HB LEU 34 -1.493 3.340 1.155 265 HG LEU 34 HG LEU 34 -3.564 3.378 -1.039 266 HD11 LEU 34 1HD1 LEU 34 -2.150 1.394 -0.984 267 HD12 LEU 34 2HD1 LEU 34 -3.801 1.015 -0.495 268 HD13 LEU 34 3HD1 LEU 34 -2.533 1.161 0.722 269 HD21 LEU 34 3HD2 LEU 34 -3.942 2.927 1.920 270 HD22 LEU 34 1HD2 LEU 34 -5.170 2.692 0.676 271 HD23 LEU 34 2HD2 LEU 34 -4.532 4.306 0.991 272 H VAL 35 H VAL 35 -0.350 6.563 -0.720 273 HA VAL 35 HA VAL 35 1.724 6.580 1.207 274 HB VAL 35 HB VAL 35 1.324 8.477 -1.117 275 HG11 VAL 35 1HG1 VAL 35 3.751 8.835 -0.955 276 HG12 VAL 35 2HG1 VAL 35 3.790 7.838 0.500 277 HG13 VAL 35 3HG1 VAL 35 2.904 9.364 0.498 278 HG21 VAL 35 3HG2 VAL 35 1.402 6.163 -1.852 279 HG22 VAL 35 1HG2 VAL 35 2.888 5.907 -0.938 280 HG23 VAL 35 2HG2 VAL 35 2.879 7.010 -2.315 281 H ASP 36 H ASP 36 -0.818 8.876 0.365 282 HA ASP 36 HA ASP 36 -0.057 10.931 2.146 283 HB2 ASP 36 1HB ASP 36 -1.689 11.229 0.291 284 HB3 ASP 36 2HB ASP 36 -2.848 10.247 1.186 285 H LEU 37 H LEU 37 -2.018 8.049 2.505 286 HA LEU 37 HA LEU 37 -2.833 8.592 5.189 287 HB2 LEU 37 1HB LEU 37 -2.793 6.065 3.543 288 HB3 LEU 37 2HB LEU 37 -3.443 6.153 5.169 289 HG LEU 37 HG LEU 37 -4.476 7.730 2.814 290 HD11 LEU 37 1HD1 LEU 37 -6.401 6.232 2.912 291 HD12 LEU 37 2HD1 LEU 37 -5.614 5.299 4.185 292 HD13 LEU 37 3HD1 LEU 37 -4.917 5.345 2.566 293 HD21 LEU 37 3HD2 LEU 37 -4.805 8.858 4.952 294 HD22 LEU 37 1HD2 LEU 37 -5.553 7.403 5.611 295 HD23 LEU 37 2HD2 LEU 37 -6.336 8.279 4.295 296 H GLY 38 H GLY 38 0.032 7.440 3.743 297 HA2 GLY 38 1HA GLY 38 2.076 7.109 4.807 298 HA3 GLY 38 2HA GLY 38 1.237 7.078 6.355 299 H TRP 39 H TRP 39 0.003 5.086 3.838 300 HA TRP 39 HA TRP 39 0.796 2.703 5.328 301 HB2 TRP 39 1HB TRP 39 -1.052 3.061 2.949 302 HB3 TRP 39 2HB TRP 39 -0.744 1.524 3.755 303 HD1 TRP 39 HD1 TRP 39 -1.049 4.316 6.218 304 HE1 TRP 39 HE1 TRP 39 -3.366 4.253 7.348 305 HE3 TRP 39 HE3 TRP 39 -3.373 0.936 3.153 306 HZ2 TRP 39 HZ2 TRP 39 -5.814 2.956 7.002 307 HZ3 TRP 39 HZ3 TRP 39 -5.715 0.341 3.632 308 HH2 TRP 39 HH2 TRP 39 -6.910 1.330 5.518 309 H LEU 40 H LEU 40 1.266 4.278 2.246 310 HA LEU 40 HA LEU 40 3.240 2.225 1.512 311 HB2 LEU 40 1HB LEU 40 1.462 3.961 -0.177 312 HB3 LEU 40 2HB LEU 40 2.906 3.215 -0.837 313 HG LEU 40 HG LEU 40 0.565 1.747 0.371 314 HD11 LEU 40 1HD1 LEU 40 1.493 2.003 -2.486 315 HD12 LEU 40 2HD1 LEU 40 0.038 2.721 -1.795 316 HD13 LEU 40 3HD1 LEU 40 0.184 0.968 -1.917 317 HD21 LEU 40 3HD2 LEU 40 3.107 0.743 -0.908 318 HD22 LEU 40 1HD2 LEU 40 1.726 -0.257 -0.470 319 HD23 LEU 40 2HD2 LEU 40 2.641 0.573 0.785 320 H LYS 41 H LYS 41 5.218 2.863 0.704 321 HA LYS 41 HA LYS 41 5.857 5.725 0.873 322 HB2 LYS 41 1HB LYS 41 6.548 4.448 2.953 323 HB3 LYS 41 2HB LYS 41 7.653 3.534 1.931 324 HG2 LYS 41 1HG LYS 41 8.901 5.245 3.000 325 HG3 LYS 41 2HG LYS 41 8.729 5.699 1.299 326 HD2 LYS 41 1HD LYS 41 6.883 7.192 1.890 327 HD3 LYS 41 2HD LYS 41 7.056 6.739 3.587 328 HE2 LYS 41 1HE LYS 41 9.115 8.137 1.885 329 HE3 LYS 41 2HE LYS 41 8.137 8.873 3.153 330 HZ1 LYS 41 3HZ LYS 41 9.207 7.316 4.738 331 HZ2 LYS 41 1HZ LYS 41 10.290 8.405 4.018 332 HZ3 LYS 41 2HZ LYS 41 10.236 6.795 3.491 333 H ARG 42 H ARG 42 6.237 6.148 -1.239 334 HA ARG 42 HA ARG 42 7.672 4.247 -2.874 335 HB2 ARG 42 1HB ARG 42 7.419 6.085 -4.625 336 HB3 ARG 42 2HB ARG 42 5.946 5.310 -4.058 337 HG2 ARG 42 1HG ARG 42 5.528 7.222 -2.578 338 HG3 ARG 42 2HG ARG 42 6.999 7.998 -3.183 339 HD2 ARG 42 1HD ARG 42 6.086 8.133 -5.397 340 HD3 ARG 42 2HD ARG 42 4.686 7.169 -4.930 341 HE ARG 42 HE ARG 42 4.957 9.576 -3.387 342 HH11 ARG 42 1HH1 ARG 42 3.786 8.275 -6.419 343 HH12 ARG 42 2HH1 ARG 42 2.563 9.496 -6.626 344 HH21 ARG 42 1HH2 ARG 42 3.364 11.173 -3.637 345 HH22 ARG 42 2HH2 ARG 42 2.319 11.151 -5.030 346 H SER 43 H SER 43 9.756 4.099 -2.395 347 HA SER 43 HA SER 43 11.275 6.588 -2.016 348 HB2 SER 43 1HB SER 43 11.909 3.799 -1.024 349 HB3 SER 43 2HB SER 43 12.863 5.249 -0.707 350 HG SER 43 HG SER 43 10.818 6.103 0.218 351 H SER 44 H SER 44 10.614 4.532 -4.397 352 HA SER 44 HA SER 44 13.130 5.087 -5.714 353 HB2 SER 44 1HB SER 44 12.138 2.243 -5.414 354 HB3 SER 44 2HB SER 44 13.493 2.753 -6.422 355 HG SER 44 HG SER 44 13.807 3.719 -3.942 356 H VAL 45 H VAL 45 11.998 6.379 -7.139 357 HA VAL 45 HA VAL 45 10.060 5.066 -8.896 358 HB VAL 45 HB VAL 45 11.134 7.893 -9.061 359 HG11 VAL 45 1HG1 VAL 45 9.171 8.302 -10.471 360 HG12 VAL 45 2HG1 VAL 45 8.737 6.596 -10.354 361 HG13 VAL 45 3HG1 VAL 45 10.229 7.073 -11.165 362 HG21 VAL 45 3HG2 VAL 45 9.016 8.584 -8.037 363 HG22 VAL 45 1HG2 VAL 45 9.971 7.572 -6.953 364 HG23 VAL 45 2HG2 VAL 45 8.585 6.892 -7.802 365 H ASP 46 H ASP 46 11.207 3.610 -10.086 366 HA ASP 46 HA ASP 46 13.774 4.416 -11.216 367 HB2 ASP 46 1HB ASP 46 13.369 2.159 -10.067 368 HB3 ASP 46 2HB ASP 46 12.467 1.714 -11.517 369 H SER 47 H SER 47 13.639 5.522 -12.999 370 HA SER 47 HA SER 47 13.021 6.381 -14.968 371 HB2 SER 47 1HB SER 47 12.439 4.844 -16.805 372 HB3 SER 47 2HB SER 47 13.836 4.292 -15.890 373 HG SER 47 HG SER 47 12.298 2.911 -14.731 374 H ARG 48 H ARG 48 10.387 3.976 -14.771 375 HA ARG 48 HA ARG 48 8.524 6.221 -14.405 376 HB2 ARG 48 1HB ARG 48 8.589 5.427 -16.802 377 HB3 ARG 48 2HB ARG 48 7.966 3.883 -16.234 378 HG2 ARG 48 1HG ARG 48 5.953 4.961 -15.421 379 HG3 ARG 48 2HG ARG 48 6.583 6.537 -15.900 380 HD2 ARG 48 1HD ARG 48 5.941 4.233 -17.735 381 HD3 ARG 48 2HD ARG 48 4.993 5.707 -17.542 382 HE ARG 48 HE ARG 48 7.576 6.473 -18.260 383 HH11 ARG 48 1HH1 ARG 48 4.799 4.831 -19.624 384 HH12 ARG 48 2HH1 ARG 48 5.279 5.104 -21.276 385 HH21 ARG 48 1HH2 ARG 48 8.191 6.899 -20.436 386 HH22 ARG 48 2HH2 ARG 48 7.212 6.274 -21.740 387 H ALA 49 H ALA 49 9.388 2.906 -13.828 388 HA ALA 49 HA ALA 49 6.939 2.161 -12.562 389 HB1 ALA 49 3HB ALA 49 8.153 0.172 -11.821 390 HB2 ALA 49 1HB ALA 49 9.667 0.883 -12.377 391 HB3 ALA 49 2HB ALA 49 8.405 0.473 -13.540 392 H THR 50 H THR 50 6.271 2.941 -10.731 393 HA THR 50 HA THR 50 8.145 4.130 -8.846 394 HB THR 50 HB THR 50 5.122 4.066 -8.727 395 HG1 THR 50 HG1 THR 50 6.658 5.262 -10.511 396 HG21 THR 50 3HG2 THR 50 6.184 4.648 -6.611 397 HG22 THR 50 1HG2 THR 50 5.423 6.073 -7.320 398 HG23 THR 50 2HG2 THR 50 7.171 5.863 -7.419 399 H HIS 51 H HIS 51 8.979 2.875 -7.312 400 HA HIS 51 HA HIS 51 7.654 0.387 -6.588 401 HB2 HIS 51 1HB HIS 51 10.353 1.515 -5.815 402 HB3 HIS 51 2HB HIS 51 9.745 -0.056 -5.298 403 HD1 HIS 51 HD1 HIS 51 10.207 -1.986 -6.808 404 HD2 HIS 51 HD2 HIS 51 10.754 1.674 -8.715 405 HE1 HIS 51 HE1 HIS 51 11.225 -2.527 -9.038 406 HE2 HIS 51 HE2 HIS 51 11.432 -0.320 -10.229 407 H TYR 52 H TYR 52 6.233 0.373 -5.010 408 HA TYR 52 HA TYR 52 6.454 2.325 -2.834 409 HB2 TYR 52 1HB TYR 52 4.190 0.511 -3.694 410 HB3 TYR 52 2HB TYR 52 4.139 1.529 -2.255 411 HD1 TYR 52 HD2 TYR 52 4.043 3.962 -2.461 412 HD2 TYR 52 HD1 TYR 52 3.948 1.459 -5.897 413 HE1 TYR 52 HE2 TYR 52 3.235 5.853 -3.810 414 HE2 TYR 52 HE1 TYR 52 3.143 3.343 -7.258 415 HH TYR 52 HH TYR 52 1.896 5.529 -6.834 416 H GLN 53 H GLN 53 7.221 1.741 -0.931 417 HA GLN 53 HA GLN 53 7.419 -1.125 -0.314 418 HB2 GLN 53 1HB GLN 53 9.551 0.095 -0.369 419 HB3 GLN 53 2HB GLN 53 8.942 1.228 0.833 420 HG2 GLN 53 1HG GLN 53 8.823 -0.536 2.482 421 HG3 GLN 53 2HG GLN 53 9.327 -1.727 1.278 422 HE21 GLN 53 2HE2 GLN 53 10.697 1.481 1.412 423 HE22 GLN 53 1HE2 GLN 53 12.259 1.001 1.982 424 H ILE 54 H ILE 54 6.607 -1.936 1.577 425 HA ILE 54 HA ILE 54 4.406 -0.628 2.773 426 HB ILE 54 HB ILE 54 4.450 -2.488 4.416 427 HG12 ILE 54 1HG1 ILE 54 6.878 -3.397 2.847 428 HG13 ILE 54 2HG1 ILE 54 6.912 -2.775 4.493 429 HG21 ILE 54 1HG2 ILE 54 3.963 -4.253 2.783 430 HG22 ILE 54 2HG2 ILE 54 4.709 -3.276 1.518 431 HG23 ILE 54 3HG2 ILE 54 3.246 -2.708 2.324 432 HD11 ILE 54 3HD1 ILE 54 7.058 -5.202 4.435 433 HD12 ILE 54 1HD1 ILE 54 5.511 -5.280 3.592 434 HD13 ILE 54 2HD1 ILE 54 5.585 -4.667 5.244 435 H THR 55 H THR 55 4.210 0.579 4.574 436 HA THR 55 HA THR 55 6.620 1.179 6.125 437 HB THR 55 HB THR 55 5.279 2.954 7.166 438 HG1 THR 55 HG1 THR 55 3.114 3.258 6.034 439 HG21 THR 55 3HG2 THR 55 5.024 2.937 4.155 440 HG22 THR 55 1HG2 THR 55 6.430 3.478 5.073 441 HG23 THR 55 2HG2 THR 55 4.907 4.362 5.188 442 H GLU 56 H GLU 56 6.089 1.459 8.595 443 HA GLU 56 HA GLU 56 5.227 -0.960 9.722 444 HB2 GLU 56 1HB GLU 56 5.332 1.794 10.968 445 HB3 GLU 56 2HB GLU 56 5.156 0.290 11.860 446 HG2 GLU 56 1HG GLU 56 7.341 -0.441 11.090 447 HG3 GLU 56 2HG GLU 56 7.518 1.044 10.156 448 H ARG 57 H ARG 57 3.560 2.057 9.047 449 HA ARG 57 HA ARG 57 1.107 1.375 10.294 450 HB2 ARG 57 1HB ARG 57 1.850 3.694 9.713 451 HB3 ARG 57 2HB ARG 57 1.565 3.311 8.018 452 HG2 ARG 57 1HG ARG 57 -0.793 3.001 8.449 453 HG3 ARG 57 2HG ARG 57 -0.538 3.260 10.177 454 HD2 ARG 57 1HD ARG 57 -0.081 5.258 7.965 455 HD3 ARG 57 2HD ARG 57 -1.389 5.282 9.152 456 HE ARG 57 HE ARG 57 0.688 5.371 10.777 457 HH11 ARG 57 1HH1 ARG 57 0.117 7.131 7.800 458 HH12 ARG 57 2HH1 ARG 57 1.148 8.464 8.237 459 HH21 ARG 57 1HH2 ARG 57 2.011 7.141 11.366 460 HH22 ARG 57 2HH2 ARG 57 2.198 8.487 10.281 461 H GLY 58 H GLY 58 2.301 1.156 6.967 462 HA2 GLY 58 1HA GLY 58 -0.019 0.052 5.806 463 HA3 GLY 58 2HA GLY 58 1.623 -0.138 5.194 464 H THR 59 H THR 59 2.549 -1.375 7.682 465 HA THR 59 HA THR 59 1.828 -4.087 7.157 466 HB THR 59 HB THR 59 3.370 -2.950 9.501 467 HG1 THR 59 HG1 THR 59 4.448 -2.453 7.591 468 HG21 THR 59 3HG2 THR 59 4.308 -5.213 9.690 469 HG22 THR 59 1HG2 THR 59 3.256 -5.759 8.384 470 HG23 THR 59 2HG2 THR 59 2.559 -5.223 9.913 471 H SER 60 H SER 60 1.151 -1.780 9.749 472 HA SER 60 HA SER 60 -0.330 -3.489 11.407 473 HB2 SER 60 1HB SER 60 0.619 -1.223 12.010 474 HB3 SER 60 2HB SER 60 -0.720 -0.498 11.115 475 HG SER 60 HG SER 60 -0.940 -2.247 13.353 476 H ALA 61 H ALA 61 -1.301 -1.408 8.718 477 HA ALA 61 HA ALA 61 -4.084 -1.722 8.990 478 HB1 ALA 61 3HB ALA 61 -3.054 0.033 7.627 479 HB2 ALA 61 1HB ALA 61 -4.222 -0.908 6.700 480 HB3 ALA 61 2HB ALA 61 -2.494 -1.187 6.482 481 H ALA 62 H ALA 62 -1.697 -3.534 7.086 482 HA ALA 62 HA ALA 62 -3.634 -5.245 5.879 483 HB1 ALA 62 3HB ALA 62 -1.464 -4.787 4.841 484 HB2 ALA 62 1HB ALA 62 -1.740 -6.515 5.060 485 HB3 ALA 62 2HB ALA 62 -0.661 -5.649 6.154 486 H LEU 63 H LEU 63 -1.930 -5.256 8.878 487 HA LEU 63 HA LEU 63 -2.259 -8.039 9.457 488 HB2 LEU 63 1HB LEU 63 -0.533 -6.495 10.460 489 HB3 LEU 63 2HB LEU 63 -1.826 -5.772 11.403 490 HG LEU 63 HG LEU 63 -2.225 -7.942 12.503 491 HD11 LEU 63 1HD1 LEU 63 0.182 -8.851 10.929 492 HD12 LEU 63 2HD1 LEU 63 -1.475 -9.414 10.712 493 HD13 LEU 63 3HD1 LEU 63 -0.617 -9.760 12.212 494 HD21 LEU 63 3HD2 LEU 63 -0.185 -7.962 13.848 495 HD22 LEU 63 1HD2 LEU 63 -0.721 -6.314 13.521 496 HD23 LEU 63 2HD2 LEU 63 0.635 -6.995 12.622 497 H ARG 64 H ARG 64 -4.434 -5.612 9.120 498 HA ARG 64 HA ARG 64 -6.303 -6.628 11.132 499 HB2 ARG 64 1HB ARG 64 -6.507 -4.297 9.214 500 HB3 ARG 64 2HB ARG 64 -7.737 -4.739 10.390 501 HG2 ARG 64 1HG ARG 64 -6.325 -4.187 12.208 502 HG3 ARG 64 2HG ARG 64 -4.916 -4.046 11.158 503 HD2 ARG 64 1HD ARG 64 -5.730 -1.851 11.779 504 HD3 ARG 64 2HD ARG 64 -5.942 -2.119 10.051 505 HE ARG 64 HE ARG 64 -8.344 -2.713 10.723 506 HH11 ARG 64 1HH1 ARG 64 -6.345 -0.381 12.415 507 HH12 ARG 64 2HH1 ARG 64 -7.695 0.596 12.921 508 HH21 ARG 64 1HH2 ARG 64 -10.124 -1.404 11.373 509 HH22 ARG 64 2HH2 ARG 64 -9.823 0.012 12.333 510 H SER 65 H SER 65 -5.320 -7.493 8.169 511 HA SER 65 HA SER 65 -8.002 -8.329 7.294 512 HB2 SER 65 1HB SER 65 -5.474 -8.063 5.645 513 HB3 SER 65 2HB SER 65 -7.069 -8.508 5.037 514 HG SER 65 HG SER 65 -7.162 -6.197 6.447 Start of MODEL 6 1 H1 MET 1 1H MET 1 -12.078 6.320 6.991 2 H2 MET 1 2H MET 1 -11.322 7.431 8.028 3 H3 MET 1 3H MET 1 -10.506 6.021 7.560 4 HA MET 1 HA MET 1 -11.303 8.253 5.787 5 HB2 MET 1 1HB MET 1 -8.623 7.367 6.862 6 HB3 MET 1 2HB MET 1 -8.796 8.465 5.497 7 HG2 MET 1 1HG MET 1 -9.819 8.948 8.289 8 HG3 MET 1 2HG MET 1 -8.368 9.659 7.576 9 HE1 MET 1 3HE MET 1 -10.912 12.661 7.833 10 HE2 MET 1 1HE MET 1 -9.330 12.054 8.322 11 HE3 MET 1 2HE MET 1 -10.796 11.299 8.948 12 H ALA 2 H ALA 2 -9.484 5.212 6.043 13 HA ALA 2 HA ALA 2 -9.638 4.895 3.135 14 HB1 ALA 2 3HB ALA 2 -8.016 3.108 3.420 15 HB2 ALA 2 1HB ALA 2 -8.132 3.258 5.174 16 HB3 ALA 2 2HB ALA 2 -7.453 4.577 4.219 17 H THR 3 H THR 3 -10.453 2.942 2.212 18 HA THR 3 HA THR 3 -12.629 1.852 3.864 19 HB THR 3 HB THR 3 -13.264 3.052 1.774 20 HG1 THR 3 HG1 THR 3 -14.906 1.739 1.697 21 HG21 THR 3 3HG2 THR 3 -12.898 1.933 -0.385 22 HG22 THR 3 1HG2 THR 3 -11.873 0.743 0.416 23 HG23 THR 3 2HG2 THR 3 -11.382 2.437 0.363 24 H ALA 4 H ALA 4 -13.316 -0.432 2.822 25 HA ALA 4 HA ALA 4 -11.400 -2.260 3.750 26 HB1 ALA 4 3HB ALA 4 -13.767 -2.785 1.955 27 HB2 ALA 4 1HB ALA 4 -13.796 -2.740 3.717 28 HB3 ALA 4 2HB ALA 4 -12.882 -3.996 2.882 29 H ASP 5 H ASP 5 -12.075 -1.040 0.536 30 HA ASP 5 HA ASP 5 -10.593 -2.866 -0.984 31 HB2 ASP 5 1HB ASP 5 -11.162 0.069 -1.422 32 HB3 ASP 5 2HB ASP 5 -10.355 -0.948 -2.617 33 H ASP 6 H ASP 6 -9.630 0.040 0.747 34 HA ASP 6 HA ASP 6 -6.962 0.112 -0.206 35 HB2 ASP 6 1HB ASP 6 -8.158 1.271 2.324 36 HB3 ASP 6 2HB ASP 6 -6.555 1.654 1.695 37 H PHE 7 H PHE 7 -8.493 -1.264 2.661 38 HA PHE 7 HA PHE 7 -6.200 -2.192 3.945 39 HB2 PHE 7 1HB PHE 7 -9.073 -3.060 3.994 40 HB3 PHE 7 2HB PHE 7 -7.849 -3.917 4.924 41 HD1 PHE 7 HD2 PHE 7 -6.517 -2.625 6.632 42 HD2 PHE 7 HD1 PHE 7 -10.027 -1.080 4.789 43 HE1 PHE 7 HE2 PHE 7 -6.748 -0.984 8.450 44 HE2 PHE 7 HE1 PHE 7 -10.261 0.563 6.603 45 HZ PHE 7 HZ PHE 7 -8.621 0.612 8.438 46 H LYS 8 H LYS 8 -8.157 -3.619 1.401 47 HA LYS 8 HA LYS 8 -6.765 -6.125 1.417 48 HB2 LYS 8 1HB LYS 8 -8.566 -4.876 -0.663 49 HB3 LYS 8 2HB LYS 8 -7.943 -6.518 -0.741 50 HG2 LYS 8 1HG LYS 8 -9.120 -7.073 1.320 51 HG3 LYS 8 2HG LYS 8 -9.735 -5.419 1.416 52 HD2 LYS 8 1HD LYS 8 -10.878 -5.743 -0.739 53 HD3 LYS 8 2HD LYS 8 -10.294 -7.407 -0.787 54 HE2 LYS 8 1HE LYS 8 -12.066 -6.247 1.361 55 HE3 LYS 8 2HE LYS 8 -12.627 -7.222 0.007 56 HZ1 LYS 8 3HZ LYS 8 -11.368 -9.083 0.814 57 HZ2 LYS 8 1HZ LYS 8 -12.341 -8.500 2.075 58 HZ3 LYS 8 2HZ LYS 8 -10.684 -8.153 2.056 59 H LEU 9 H LEU 9 -6.545 -3.138 -0.441 60 HA LEU 9 HA LEU 9 -4.693 -4.113 -2.356 61 HB2 LEU 9 1HB LEU 9 -6.194 -2.043 -2.494 62 HB3 LEU 9 2HB LEU 9 -4.980 -1.231 -1.519 63 HG LEU 9 HG LEU 9 -4.233 -2.543 -4.122 64 HD11 LEU 9 1HD1 LEU 9 -4.567 -0.379 -5.218 65 HD12 LEU 9 2HD1 LEU 9 -5.296 0.252 -3.741 66 HD13 LEU 9 3HD1 LEU 9 -6.085 -1.055 -4.626 67 HD21 LEU 9 3HD2 LEU 9 -2.453 -0.875 -4.098 68 HD22 LEU 9 1HD2 LEU 9 -2.425 -1.847 -2.626 69 HD23 LEU 9 2HD2 LEU 9 -3.083 -0.211 -2.590 70 H ILE 10 H ILE 10 -4.307 -2.377 0.712 71 HA ILE 10 HA ILE 10 -1.491 -2.141 0.538 72 HB ILE 10 HB ILE 10 -2.876 -0.795 2.105 73 HG12 ILE 10 1HG1 ILE 10 -1.304 -0.919 4.029 74 HG13 ILE 10 2HG1 ILE 10 -0.658 -2.418 3.364 75 HG21 ILE 10 1HG2 ILE 10 -3.048 -3.354 3.684 76 HG22 ILE 10 2HG2 ILE 10 -4.388 -2.507 2.909 77 HG23 ILE 10 3HG2 ILE 10 -3.536 -1.761 4.261 78 HD11 ILE 10 3HD1 ILE 10 0.091 -1.226 1.381 79 HD12 ILE 10 1HD1 ILE 10 0.764 -0.514 2.848 80 HD13 ILE 10 2HD1 ILE 10 -0.579 0.274 2.021 81 H ARG 11 H ARG 11 -3.624 -4.701 1.543 82 HA ARG 11 HA ARG 11 -1.670 -6.335 2.799 83 HB2 ARG 11 1HB ARG 11 -4.176 -6.546 3.036 84 HB3 ARG 11 2HB ARG 11 -4.213 -7.224 1.418 85 HG2 ARG 11 1HG ARG 11 -2.507 -8.466 3.537 86 HG3 ARG 11 2HG ARG 11 -4.237 -8.799 3.466 87 HD2 ARG 11 1HD ARG 11 -3.986 -9.591 1.165 88 HD3 ARG 11 2HD ARG 11 -2.259 -9.245 1.231 89 HE ARG 11 HE ARG 11 -2.563 -10.922 3.303 90 HH11 ARG 11 1HH1 ARG 11 -3.642 -11.105 -0.031 91 HH12 ARG 11 2HH1 ARG 11 -3.584 -12.845 -0.081 92 HH21 ARG 11 1HH2 ARG 11 -2.459 -13.192 3.223 93 HH22 ARG 11 2HH2 ARG 11 -2.883 -14.031 1.763 94 H ASP 12 H ASP 12 -2.845 -5.965 -0.485 95 HA ASP 12 HA ASP 12 -1.569 -8.114 -1.723 96 HB2 ASP 12 1HB ASP 12 -3.240 -6.765 -2.866 97 HB3 ASP 12 2HB ASP 12 -2.183 -5.354 -2.805 98 H ILE 13 H ILE 13 -0.376 -4.928 -0.866 99 HA ILE 13 HA ILE 13 2.064 -4.947 -2.183 100 HB ILE 13 HB ILE 13 1.698 -3.821 0.588 101 HG12 ILE 13 1HG1 ILE 13 -0.228 -3.139 -0.769 102 HG13 ILE 13 2HG1 ILE 13 0.834 -1.770 -0.464 103 HG21 ILE 13 1HG2 ILE 13 3.960 -3.748 -0.300 104 HG22 ILE 13 2HG2 ILE 13 3.282 -2.124 -0.199 105 HG23 ILE 13 3HG2 ILE 13 3.380 -2.942 -1.758 106 HD11 ILE 13 3HD1 ILE 13 0.033 -1.744 -2.740 107 HD12 ILE 13 1HD1 ILE 13 0.670 -3.366 -3.006 108 HD13 ILE 13 2HD1 ILE 13 1.775 -2.022 -2.710 109 H HIS 14 H HIS 14 1.122 -6.324 0.915 110 HA HIS 14 HA HIS 14 3.734 -7.207 1.646 111 HB2 HIS 14 1HB HIS 14 0.995 -8.034 2.631 112 HB3 HIS 14 2HB HIS 14 2.510 -8.567 3.353 113 HD1 HIS 14 HD1 HIS 14 3.669 -6.946 4.955 114 HD2 HIS 14 HD2 HIS 14 0.364 -5.341 3.017 115 HE1 HIS 14 HE1 HIS 14 3.245 -4.716 6.059 116 HE2 HIS 14 HE2 HIS 14 1.115 -3.869 5.008 117 H SER 15 H SER 15 0.958 -8.651 0.036 118 HA SER 15 HA SER 15 1.887 -11.292 -0.119 119 HB2 SER 15 1HB SER 15 0.168 -9.863 -2.160 120 HB3 SER 15 2HB SER 15 0.222 -11.596 -1.839 121 HG SER 15 HG SER 15 -0.376 -10.787 0.438 122 H THR 16 H THR 16 2.736 -8.441 -1.897 123 HA THR 16 HA THR 16 4.050 -9.905 -4.024 124 HB THR 16 HB THR 16 4.194 -6.928 -3.507 125 HG1 THR 16 HG1 THR 16 2.002 -7.407 -3.645 126 HG21 THR 16 3HG2 THR 16 4.524 -6.808 -5.934 127 HG22 THR 16 1HG2 THR 16 4.407 -8.564 -6.044 128 HG23 THR 16 2HG2 THR 16 5.757 -7.823 -5.186 129 H GLY 17 H GLY 17 4.834 -9.325 -0.895 130 HA2 GLY 17 1HA GLY 17 6.990 -10.118 -0.120 131 HA3 GLY 17 2HA GLY 17 7.719 -9.347 -1.527 132 H GLY 18 H GLY 18 5.284 -7.507 -0.020 133 HA2 GLY 18 1HA GLY 18 5.344 -5.836 1.600 134 HA3 GLY 18 2HA GLY 18 7.030 -6.241 1.915 135 H ARG 19 H ARG 19 6.737 -5.965 -1.331 136 HA ARG 19 HA ARG 19 7.084 -3.070 -1.433 137 HB2 ARG 19 1HB ARG 19 9.321 -4.262 -1.056 138 HB3 ARG 19 2HB ARG 19 9.114 -4.931 -2.671 139 HG2 ARG 19 1HG ARG 19 9.031 -2.637 -3.575 140 HG3 ARG 19 2HG ARG 19 9.343 -2.013 -1.951 141 HD2 ARG 19 1HD ARG 19 11.422 -3.429 -1.929 142 HD3 ARG 19 2HD ARG 19 11.137 -3.747 -3.638 143 HE ARG 19 HE ARG 19 11.471 -0.998 -2.632 144 HH11 ARG 19 1HH1 ARG 19 12.368 -3.596 -4.784 145 HH12 ARG 19 2HH1 ARG 19 13.552 -2.661 -5.647 146 HH21 ARG 19 1HH2 ARG 19 13.037 0.251 -3.747 147 HH22 ARG 19 2HH2 ARG 19 13.958 -0.476 -5.031 148 H ARG 20 H ARG 20 5.999 -2.311 -3.153 149 HA ARG 20 HA ARG 20 5.487 -4.149 -5.398 150 HB2 ARG 20 1HB ARG 20 3.498 -3.970 -3.917 151 HB3 ARG 20 2HB ARG 20 3.486 -2.230 -4.187 152 HG2 ARG 20 1HG ARG 20 1.839 -3.253 -5.594 153 HG3 ARG 20 2HG ARG 20 3.156 -2.654 -6.605 154 HD2 ARG 20 1HD ARG 20 4.109 -4.922 -6.662 155 HD3 ARG 20 2HD ARG 20 2.738 -5.502 -5.712 156 HE ARG 20 HE ARG 20 2.361 -4.263 -8.360 157 HH11 ARG 20 1HH1 ARG 20 1.871 -6.923 -6.124 158 HH12 ARG 20 2HH1 ARG 20 0.802 -7.776 -7.192 159 HH21 ARG 20 1HH2 ARG 20 0.969 -5.403 -9.758 160 HH22 ARG 20 2HH2 ARG 20 0.299 -6.926 -9.253 161 H GLN 21 H GLN 21 6.167 -3.320 -7.265 162 HA GLN 21 HA GLN 21 6.505 -0.413 -7.446 163 HB2 GLN 21 1HB GLN 21 7.952 -0.901 -9.405 164 HB3 GLN 21 2HB GLN 21 8.535 -1.615 -7.905 165 HG2 GLN 21 1HG GLN 21 7.607 -3.780 -8.591 166 HG3 GLN 21 2HG GLN 21 7.071 -3.053 -10.110 167 HE21 GLN 21 2HE2 GLN 21 8.589 -2.481 -11.655 168 HE22 GLN 21 1HE2 GLN 21 10.223 -3.067 -11.610 169 H VAL 22 H VAL 22 5.314 0.784 -8.739 170 HA VAL 22 HA VAL 22 3.675 -0.529 -10.813 171 HB VAL 22 HB VAL 22 2.819 1.811 -9.086 172 HG11 VAL 22 1HG1 VAL 22 1.290 0.215 -11.136 173 HG12 VAL 22 2HG1 VAL 22 1.850 1.878 -11.316 174 HG13 VAL 22 3HG1 VAL 22 0.620 1.485 -10.114 175 HG21 VAL 22 3HG2 VAL 22 1.902 -1.062 -8.999 176 HG22 VAL 22 1HG2 VAL 22 1.218 0.267 -8.062 177 HG23 VAL 22 2HG2 VAL 22 2.882 -0.247 -7.779 178 H PHE 23 H PHE 23 3.619 0.529 -12.788 179 HA PHE 23 HA PHE 23 5.676 2.462 -13.261 180 HB2 PHE 23 1HB PHE 23 3.536 1.296 -15.037 181 HB3 PHE 23 2HB PHE 23 4.703 2.482 -15.603 182 HD1 PHE 23 HD1 PHE 23 4.223 -0.972 -14.483 183 HD2 PHE 23 HD2 PHE 23 7.000 1.892 -15.964 184 HE1 PHE 23 HE1 PHE 23 5.814 -2.780 -14.984 185 HE2 PHE 23 HE2 PHE 23 8.597 0.090 -16.469 186 HZ PHE 23 HZ PHE 23 8.005 -2.250 -15.980 187 H GLY 24 H GLY 24 2.145 2.542 -13.588 188 HA2 GLY 24 1HA GLY 24 1.656 4.949 -12.392 189 HA3 GLY 24 2HA GLY 24 2.123 5.375 -14.037 190 H SER 25 H SER 25 0.355 5.885 -15.109 191 HA SER 25 HA SER 25 -1.726 5.826 -15.995 192 HB2 SER 25 1HB SER 25 -1.500 2.855 -15.436 193 HB3 SER 25 2HB SER 25 -2.654 3.614 -16.534 194 HG SER 25 HG SER 25 -0.636 4.519 -17.560 195 H ARG 26 H ARG 26 -3.937 4.097 -15.297 196 HA ARG 26 HA ARG 26 -4.897 5.603 -13.061 197 HB2 ARG 26 1HB ARG 26 -6.130 3.284 -14.556 198 HB3 ARG 26 2HB ARG 26 -6.966 4.271 -13.367 199 HG2 ARG 26 1HG ARG 26 -5.756 5.422 -15.865 200 HG3 ARG 26 2HG ARG 26 -7.403 4.799 -15.797 201 HD2 ARG 26 1HD ARG 26 -7.560 7.133 -15.459 202 HD3 ARG 26 2HD ARG 26 -7.809 6.384 -13.886 203 HE ARG 26 HE ARG 26 -5.098 7.275 -14.495 204 HH11 ARG 26 1HH1 ARG 26 -8.149 7.907 -12.901 205 HH12 ARG 26 2HH1 ARG 26 -7.511 9.161 -11.877 206 HH21 ARG 26 1HH2 ARG 26 -4.228 8.891 -13.117 207 HH22 ARG 26 2HH2 ARG 26 -5.275 9.711 -11.991 208 H GLU 27 H GLU 27 -3.339 2.581 -13.452 209 HA GLU 27 HA GLU 27 -4.364 1.213 -11.211 210 HB2 GLU 27 1HB GLU 27 -1.690 0.883 -12.583 211 HB3 GLU 27 2HB GLU 27 -2.433 -0.272 -11.486 212 HG2 GLU 27 1HG GLU 27 -2.964 -1.198 -13.500 213 HG3 GLU 27 2HG GLU 27 -4.393 -0.201 -13.217 214 H GLN 28 H GLN 28 -1.882 3.631 -11.555 215 HA GLN 28 HA GLN 28 -0.614 3.030 -9.038 216 HB2 GLN 28 1HB GLN 28 0.710 3.918 -10.865 217 HB3 GLN 28 2HB GLN 28 -0.296 5.363 -10.932 218 HG2 GLN 28 1HG GLN 28 0.507 6.104 -8.812 219 HG3 GLN 28 2HG GLN 28 1.347 4.578 -8.538 220 HE21 GLN 28 2HE2 GLN 28 3.280 4.193 -9.550 221 HE22 GLN 28 1HE2 GLN 28 4.180 5.429 -10.367 222 H LYS 29 H LYS 29 -3.272 4.942 -10.050 223 HA LYS 29 HA LYS 29 -3.218 7.112 -8.357 224 HB2 LYS 29 1HB LYS 29 -4.862 6.804 -10.160 225 HB3 LYS 29 2HB LYS 29 -5.672 5.568 -9.205 226 HG2 LYS 29 1HG LYS 29 -6.130 7.265 -7.467 227 HG3 LYS 29 2HG LYS 29 -5.407 8.487 -8.515 228 HD2 LYS 29 1HD LYS 29 -7.787 8.580 -8.778 229 HD3 LYS 29 2HD LYS 29 -7.093 7.899 -10.250 230 HE2 LYS 29 1HE LYS 29 -7.637 5.642 -9.437 231 HE3 LYS 29 2HE LYS 29 -8.373 6.351 -8.002 232 HZ1 LYS 29 3HZ LYS 29 -9.278 6.653 -10.812 233 HZ2 LYS 29 1HZ LYS 29 -9.913 7.545 -9.516 234 HZ3 LYS 29 2HZ LYS 29 -10.087 5.860 -9.552 235 HA PRO 30 HA PRO 30 -5.631 4.643 -4.921 236 HB2 PRO 30 1HB PRO 30 -5.231 1.931 -4.941 237 HB3 PRO 30 2HB PRO 30 -6.655 2.733 -5.615 238 HG2 PRO 30 1HG PRO 30 -4.205 1.729 -7.006 239 HG3 PRO 30 2HG PRO 30 -5.904 1.619 -7.506 240 HD2 PRO 30 1HD PRO 30 -4.236 3.437 -8.567 241 HD3 PRO 30 2HD PRO 30 -5.950 3.803 -8.273 242 H PHE 31 H PHE 31 -2.556 3.535 -6.185 243 HA PHE 31 HA PHE 31 -1.447 2.779 -3.674 244 HB2 PHE 31 1HB PHE 31 -0.233 3.390 -6.369 245 HB3 PHE 31 2HB PHE 31 0.743 2.950 -4.970 246 HD1 PHE 31 HD2 PHE 31 -2.106 1.742 -7.038 247 HD2 PHE 31 HD1 PHE 31 1.164 0.724 -4.512 248 HE1 PHE 31 HE2 PHE 31 -2.465 -0.639 -7.540 249 HE2 PHE 31 HE1 PHE 31 0.810 -1.658 -5.010 250 HZ PHE 31 HZ PHE 31 -1.007 -2.342 -6.525 251 H GLU 32 H GLU 32 -1.327 5.675 -5.687 252 HA GLU 32 HA GLU 32 0.429 7.179 -4.090 253 HB2 GLU 32 1HB GLU 32 -1.799 8.077 -5.920 254 HB3 GLU 32 2HB GLU 32 -0.609 9.158 -5.210 255 HG2 GLU 32 1HG GLU 32 1.171 7.952 -6.373 256 HG3 GLU 32 2HG GLU 32 -0.032 6.881 -7.090 257 H ASP 33 H ASP 33 -3.031 6.633 -3.906 258 HA ASP 33 HA ASP 33 -3.595 8.635 -1.989 259 HB2 ASP 33 1HB ASP 33 -5.369 7.569 -3.308 260 HB3 ASP 33 2HB ASP 33 -5.054 6.033 -2.497 261 H LEU 34 H LEU 34 -2.679 5.235 -1.691 262 HA LEU 34 HA LEU 34 -2.870 5.127 1.121 263 HB2 LEU 34 1HB LEU 34 -1.181 3.504 -0.776 264 HB3 LEU 34 2HB LEU 34 -1.395 3.146 0.929 265 HG LEU 34 HG LEU 34 -3.543 3.101 -1.193 266 HD11 LEU 34 1HD1 LEU 34 -2.012 1.202 -1.274 267 HD12 LEU 34 2HD1 LEU 34 -3.616 0.714 -0.727 268 HD13 LEU 34 3HD1 LEU 34 -2.303 0.891 0.438 269 HD21 LEU 34 3HD2 LEU 34 -5.012 2.267 0.584 270 HD22 LEU 34 1HD2 LEU 34 -4.451 3.907 0.915 271 HD23 LEU 34 2HD2 LEU 34 -3.730 2.540 1.765 272 H VAL 35 H VAL 35 -0.343 6.181 -1.067 273 HA VAL 35 HA VAL 35 1.719 6.467 0.848 274 HB VAL 35 HB VAL 35 1.244 8.098 -1.659 275 HG11 VAL 35 1HG1 VAL 35 2.786 9.215 -0.142 276 HG12 VAL 35 2HG1 VAL 35 3.642 8.596 -1.555 277 HG13 VAL 35 3HG1 VAL 35 3.750 7.741 -0.018 278 HG21 VAL 35 3HG2 VAL 35 2.833 6.580 -2.719 279 HG22 VAL 35 1HG2 VAL 35 1.425 5.706 -2.115 280 HG23 VAL 35 2HG2 VAL 35 2.947 5.648 -1.226 281 H ASP 36 H ASP 36 -0.908 8.549 -0.194 282 HA ASP 36 HA ASP 36 -0.199 10.817 1.360 283 HB2 ASP 36 1HB ASP 36 -1.726 10.924 -0.573 284 HB3 ASP 36 2HB ASP 36 -2.903 9.952 0.307 285 H LEU 37 H LEU 37 -2.147 7.957 1.944 286 HA LEU 37 HA LEU 37 -3.088 8.768 4.519 287 HB2 LEU 37 1HB LEU 37 -2.968 6.071 3.171 288 HB3 LEU 37 2HB LEU 37 -3.748 6.368 4.715 289 HG LEU 37 HG LEU 37 -4.553 7.651 2.103 290 HD11 LEU 37 1HD1 LEU 37 -5.848 5.421 3.664 291 HD12 LEU 37 2HD1 LEU 37 -5.012 5.255 2.120 292 HD13 LEU 37 3HD1 LEU 37 -6.503 6.191 2.219 293 HD21 LEU 37 3HD2 LEU 37 -5.046 9.051 4.028 294 HD22 LEU 37 1HD2 LEU 37 -5.834 7.693 4.833 295 HD23 LEU 37 2HD2 LEU 37 -6.530 8.372 3.362 296 H GLY 38 H GLY 38 -0.178 7.362 3.344 297 HA2 GLY 38 1HA GLY 38 1.809 7.226 4.594 298 HA3 GLY 38 2HA GLY 38 0.855 7.262 6.074 299 H TRP 39 H TRP 39 -0.279 5.098 3.693 300 HA TRP 39 HA TRP 39 0.559 2.829 5.326 301 HB2 TRP 39 1HB TRP 39 -1.303 3.063 2.952 302 HB3 TRP 39 2HB TRP 39 -0.932 1.539 3.760 303 HD1 TRP 39 HD1 TRP 39 -1.289 4.377 6.180 304 HE1 TRP 39 HE1 TRP 39 -3.558 4.207 7.391 305 HE3 TRP 39 HE3 TRP 39 -3.518 0.815 3.264 306 HZ2 TRP 39 HZ2 TRP 39 -5.947 2.786 7.142 307 HZ3 TRP 39 HZ3 TRP 39 -5.809 0.111 3.819 308 HH2 TRP 39 HH2 TRP 39 -7.000 1.075 5.719 309 H LEU 40 H LEU 40 1.067 4.267 2.216 310 HA LEU 40 HA LEU 40 3.173 2.287 1.670 311 HB2 LEU 40 1HB LEU 40 1.345 3.776 -0.194 312 HB3 LEU 40 2HB LEU 40 2.877 3.133 -0.751 313 HG LEU 40 HG LEU 40 0.640 1.500 0.447 314 HD11 LEU 40 1HD1 LEU 40 0.056 2.365 -1.755 315 HD12 LEU 40 2HD1 LEU 40 0.374 0.631 -1.832 316 HD13 LEU 40 3HD1 LEU 40 1.586 1.776 -2.407 317 HD21 LEU 40 3HD2 LEU 40 3.276 0.702 -0.788 318 HD22 LEU 40 1HD2 LEU 40 1.992 -0.412 -0.319 319 HD23 LEU 40 2HD2 LEU 40 2.823 0.541 0.909 320 H LYS 41 H LYS 41 5.083 3.063 0.715 321 HA LYS 41 HA LYS 41 5.460 5.941 0.504 322 HB2 LYS 41 1HB LYS 41 6.143 5.389 2.823 323 HB3 LYS 41 2HB LYS 41 7.266 4.185 2.194 324 HG2 LYS 41 1HG LYS 41 8.423 6.025 0.962 325 HG3 LYS 41 2HG LYS 41 7.391 7.170 1.826 326 HD2 LYS 41 1HD LYS 41 8.255 6.303 3.959 327 HD3 LYS 41 2HD LYS 41 9.313 5.205 3.071 328 HE2 LYS 41 1HE LYS 41 10.358 7.178 1.985 329 HE3 LYS 41 2HE LYS 41 9.373 8.220 3.012 330 HZ1 LYS 41 3HZ LYS 41 10.418 7.104 4.952 331 HZ2 LYS 41 1HZ LYS 41 11.510 7.990 4.002 332 HZ3 LYS 41 2HZ LYS 41 11.463 6.300 3.884 333 H ARG 42 H ARG 42 6.707 6.402 -1.236 334 HA ARG 42 HA ARG 42 7.804 4.170 -2.710 335 HB2 ARG 42 1HB ARG 42 8.389 6.013 -4.376 336 HB3 ARG 42 2HB ARG 42 6.683 5.686 -4.106 337 HG2 ARG 42 1HG ARG 42 6.640 7.621 -2.535 338 HG3 ARG 42 2HG ARG 42 8.301 7.982 -3.023 339 HD2 ARG 42 1HD ARG 42 7.590 8.267 -5.323 340 HD3 ARG 42 2HD ARG 42 5.940 7.818 -4.893 341 HE ARG 42 HE ARG 42 7.052 10.111 -3.495 342 HH11 ARG 42 1HH1 ARG 42 5.061 8.935 -6.121 343 HH12 ARG 42 2HH1 ARG 42 4.253 10.453 -6.366 344 HH21 ARG 42 1HH2 ARG 42 5.984 12.107 -3.796 345 HH22 ARG 42 2HH2 ARG 42 4.782 12.264 -5.047 346 H SER 43 H SER 43 9.620 3.420 -1.893 347 HA SER 43 HA SER 43 11.558 5.168 -0.645 348 HB2 SER 43 1HB SER 43 12.747 2.924 -0.290 349 HB3 SER 43 2HB SER 43 11.183 3.130 0.501 350 HG SER 43 HG SER 43 11.744 1.128 -0.903 351 H SER 44 H SER 44 10.975 3.925 -3.718 352 HA SER 44 HA SER 44 13.568 4.883 -4.631 353 HB2 SER 44 1HB SER 44 12.500 2.188 -5.501 354 HB3 SER 44 2HB SER 44 14.056 2.908 -5.918 355 HG SER 44 HG SER 44 14.120 2.929 -3.370 356 H VAL 45 H VAL 45 12.807 6.536 -5.794 357 HA VAL 45 HA VAL 45 10.514 6.142 -7.560 358 HB VAL 45 HB VAL 45 12.125 8.669 -7.158 359 HG11 VAL 45 1HG1 VAL 45 10.125 9.780 -8.029 360 HG12 VAL 45 2HG1 VAL 45 9.349 8.211 -8.252 361 HG13 VAL 45 3HG1 VAL 45 10.782 8.629 -9.193 362 HG21 VAL 45 3HG2 VAL 45 10.364 9.376 -5.604 363 HG22 VAL 45 1HG2 VAL 45 11.214 7.945 -5.017 364 HG23 VAL 45 2HG2 VAL 45 9.612 7.786 -5.738 365 H ASP 46 H ASP 46 11.154 4.968 -9.267 366 HA ASP 46 HA ASP 46 13.588 5.740 -10.708 367 HB2 ASP 46 1HB ASP 46 13.333 3.350 -10.067 368 HB3 ASP 46 2HB ASP 46 11.850 3.272 -11.017 369 H SER 47 H SER 47 13.389 5.665 -13.147 370 HA SER 47 HA SER 47 11.626 7.546 -14.106 371 HB2 SER 47 1HB SER 47 12.919 5.261 -15.609 372 HB3 SER 47 2HB SER 47 12.161 6.659 -16.369 373 HG SER 47 HG SER 47 14.572 6.466 -14.957 374 H ARG 48 H ARG 48 9.520 7.495 -13.936 375 HA ARG 48 HA ARG 48 7.356 6.900 -14.045 376 HB2 ARG 48 1HB ARG 48 8.344 4.704 -15.858 377 HB3 ARG 48 2HB ARG 48 6.647 5.062 -15.564 378 HG2 ARG 48 1HG ARG 48 7.122 7.392 -16.399 379 HG3 ARG 48 2HG ARG 48 8.694 6.787 -16.927 380 HD2 ARG 48 1HD ARG 48 7.131 6.734 -18.769 381 HD3 ARG 48 2HD ARG 48 7.554 5.088 -18.294 382 HE ARG 48 HE ARG 48 5.249 5.776 -16.890 383 HH11 ARG 48 1HH1 ARG 48 6.216 5.339 -20.234 384 HH12 ARG 48 2HH1 ARG 48 4.632 4.836 -20.747 385 HH21 ARG 48 1HH2 ARG 48 3.179 5.110 -17.580 386 HH22 ARG 48 2HH2 ARG 48 2.914 4.710 -19.253 387 H ALA 49 H ALA 49 9.070 3.781 -13.972 388 HA ALA 49 HA ALA 49 7.191 2.488 -12.343 389 HB1 ALA 49 3HB ALA 49 8.898 0.774 -12.024 390 HB2 ALA 49 1HB ALA 49 10.120 1.861 -12.680 391 HB3 ALA 49 2HB ALA 49 8.812 1.282 -13.711 392 H THR 50 H THR 50 6.663 2.956 -10.364 393 HA THR 50 HA THR 50 8.652 4.198 -8.596 394 HB THR 50 HB THR 50 5.634 4.222 -8.367 395 HG1 THR 50 HG1 THR 50 6.942 5.401 -10.188 396 HG21 THR 50 3HG2 THR 50 6.013 6.046 -6.780 397 HG22 THR 50 1HG2 THR 50 7.756 5.868 -6.979 398 HG23 THR 50 2HG2 THR 50 6.816 4.571 -6.243 399 H HIS 51 H HIS 51 9.362 3.087 -6.882 400 HA HIS 51 HA HIS 51 8.156 0.469 -6.362 401 HB2 HIS 51 1HB HIS 51 10.772 1.644 -5.384 402 HB3 HIS 51 2HB HIS 51 10.220 -0.004 -5.095 403 HD1 HIS 51 HD1 HIS 51 10.663 -1.718 -6.908 404 HD2 HIS 51 HD2 HIS 51 11.518 2.179 -8.108 405 HE1 HIS 51 HE1 HIS 51 11.891 -1.927 -9.095 406 HE2 HIS 51 HE2 HIS 51 12.470 0.429 -9.768 407 H TYR 52 H TYR 52 6.677 0.357 -4.813 408 HA TYR 52 HA TYR 52 6.766 2.254 -2.574 409 HB2 TYR 52 1HB TYR 52 4.592 0.310 -3.393 410 HB3 TYR 52 2HB TYR 52 4.474 1.504 -2.102 411 HD1 TYR 52 HD1 TYR 52 4.301 3.888 -2.638 412 HD2 TYR 52 HD2 TYR 52 4.335 0.928 -5.690 413 HE1 TYR 52 HE1 TYR 52 3.420 5.536 -4.244 414 HE2 TYR 52 HE2 TYR 52 3.459 2.563 -7.300 415 HH TYR 52 HH TYR 52 3.364 5.902 -6.659 416 H GLN 53 H GLN 53 7.126 1.599 -0.509 417 HA GLN 53 HA GLN 53 7.312 -1.304 -0.050 418 HB2 GLN 53 1HB GLN 53 9.519 -0.119 0.001 419 HB3 GLN 53 2HB GLN 53 8.922 0.832 1.360 420 HG2 GLN 53 1HG GLN 53 8.689 -1.172 2.698 421 HG3 GLN 53 2HG GLN 53 9.191 -2.169 1.330 422 HE21 GLN 53 2HE2 GLN 53 10.215 0.040 3.802 423 HE22 GLN 53 1HE2 GLN 53 11.916 -0.235 3.628 424 H ILE 54 H ILE 54 6.546 -2.082 1.910 425 HA ILE 54 HA ILE 54 4.284 -0.789 2.985 426 HB ILE 54 HB ILE 54 4.332 -2.590 4.698 427 HG12 ILE 54 1HG1 ILE 54 6.839 -3.460 3.233 428 HG13 ILE 54 2HG1 ILE 54 6.798 -2.793 4.862 429 HG21 ILE 54 1HG2 ILE 54 4.724 -3.458 1.836 430 HG22 ILE 54 2HG2 ILE 54 3.216 -2.906 2.564 431 HG23 ILE 54 3HG2 ILE 54 3.953 -4.415 3.102 432 HD11 ILE 54 3HD1 ILE 54 5.494 -4.707 5.614 433 HD12 ILE 54 1HD1 ILE 54 7.024 -5.207 4.895 434 HD13 ILE 54 2HD1 ILE 54 5.525 -5.370 3.981 435 H THR 55 H THR 55 4.016 0.560 4.659 436 HA THR 55 HA THR 55 6.380 1.383 6.176 437 HB THR 55 HB THR 55 5.021 3.291 6.897 438 HG1 THR 55 HG1 THR 55 2.883 3.502 6.022 439 HG21 THR 55 3HG2 THR 55 4.715 4.384 4.730 440 HG22 THR 55 1HG2 THR 55 4.814 2.822 3.921 441 HG23 THR 55 2HG2 THR 55 6.222 3.468 4.765 442 H GLU 56 H GLU 56 5.496 2.224 8.512 443 HA GLU 56 HA GLU 56 4.903 -0.014 10.083 444 HB2 GLU 56 1HB GLU 56 4.418 2.918 10.675 445 HB3 GLU 56 2HB GLU 56 4.349 1.633 11.868 446 HG2 GLU 56 1HG GLU 56 6.438 2.642 12.150 447 HG3 GLU 56 2HG GLU 56 6.755 1.139 11.293 448 H ARG 57 H ARG 57 2.824 2.621 8.940 449 HA ARG 57 HA ARG 57 0.427 1.626 10.066 450 HB2 ARG 57 1HB ARG 57 0.690 3.398 7.632 451 HB3 ARG 57 2HB ARG 57 -0.710 3.253 8.691 452 HG2 ARG 57 1HG ARG 57 0.537 4.251 10.512 453 HG3 ARG 57 2HG ARG 57 1.979 4.343 9.496 454 HD2 ARG 57 1HD ARG 57 0.552 5.724 7.896 455 HD3 ARG 57 2HD ARG 57 -0.607 5.849 9.222 456 HE ARG 57 HE ARG 57 1.766 6.626 10.325 457 HH11 ARG 57 1HH1 ARG 57 -0.150 7.642 7.583 458 HH12 ARG 57 2HH1 ARG 57 0.427 9.278 7.610 459 HH21 ARG 57 1HH2 ARG 57 2.543 8.788 10.367 460 HH22 ARG 57 2HH2 ARG 57 1.979 9.922 9.175 461 H GLY 58 H GLY 58 1.929 1.266 6.886 462 HA2 GLY 58 1HA GLY 58 -0.232 -0.111 5.672 463 HA3 GLY 58 2HA GLY 58 1.442 -0.119 5.115 464 H THR 59 H THR 59 2.463 -1.202 7.634 465 HA THR 59 HA THR 59 1.986 -3.980 7.169 466 HB THR 59 HB THR 59 3.425 -2.650 9.478 467 HG1 THR 59 HG1 THR 59 4.573 -2.166 7.663 468 HG21 THR 59 3HG2 THR 59 3.530 -5.506 8.490 469 HG22 THR 59 1HG2 THR 59 2.761 -4.963 9.982 470 HG23 THR 59 2HG2 THR 59 4.508 -4.823 9.789 471 H SER 60 H SER 60 1.018 -1.652 9.625 472 HA SER 60 HA SER 60 -0.343 -3.420 11.336 473 HB2 SER 60 1HB SER 60 0.351 -1.156 11.997 474 HB3 SER 60 2HB SER 60 -0.794 -0.463 10.847 475 HG SER 60 HG SER 60 -1.235 -1.668 13.322 476 H ALA 61 H ALA 61 -1.525 -1.319 8.723 477 HA ALA 61 HA ALA 61 -4.255 -1.857 9.034 478 HB1 ALA 61 3HB ALA 61 -2.752 -1.045 6.543 479 HB2 ALA 61 1HB ALA 61 -3.414 0.042 7.765 480 HB3 ALA 61 2HB ALA 61 -4.499 -0.935 6.775 481 H ALA 62 H ALA 62 -1.841 -3.367 6.943 482 HA ALA 62 HA ALA 62 -3.735 -5.027 5.601 483 HB1 ALA 62 3HB ALA 62 -1.778 -6.076 4.586 484 HB2 ALA 62 1HB ALA 62 -0.734 -5.189 5.697 485 HB3 ALA 62 2HB ALA 62 -1.697 -4.315 4.506 486 H LEU 63 H LEU 63 -1.927 -5.321 8.529 487 HA LEU 63 HA LEU 63 -1.846 -8.164 8.630 488 HB2 LEU 63 1HB LEU 63 -0.372 -6.624 9.941 489 HB3 LEU 63 2HB LEU 63 -1.762 -6.221 10.939 490 HG LEU 63 HG LEU 63 -1.920 -8.600 11.620 491 HD11 LEU 63 1HD1 LEU 63 0.678 -8.874 10.115 492 HD12 LEU 63 2HD1 LEU 63 -0.863 -9.604 9.666 493 HD13 LEU 63 3HD1 LEU 63 -0.052 -10.100 11.152 494 HD21 LEU 63 3HD2 LEU 63 0.742 -7.276 12.113 495 HD22 LEU 63 1HD2 LEU 63 0.042 -8.572 13.085 496 HD23 LEU 63 2HD2 LEU 63 -0.748 -6.997 13.015 497 H ARG 64 H ARG 64 -4.271 -5.810 9.267 498 HA ARG 64 HA ARG 64 -5.876 -7.652 10.854 499 HB2 ARG 64 1HB ARG 64 -6.501 -4.842 9.935 500 HB3 ARG 64 2HB ARG 64 -7.446 -5.790 11.077 501 HG2 ARG 64 1HG ARG 64 -5.429 -5.855 12.555 502 HG3 ARG 64 2HG ARG 64 -4.665 -4.709 11.452 503 HD2 ARG 64 1HD ARG 64 -7.199 -4.288 13.032 504 HD3 ARG 64 2HD ARG 64 -5.636 -3.530 13.326 505 HE ARG 64 HE ARG 64 -7.072 -3.071 10.795 506 HH11 ARG 64 1HH1 ARG 64 -5.637 -1.872 13.758 507 HH12 ARG 64 2HH1 ARG 64 -5.812 -0.197 13.319 508 HH21 ARG 64 1HH2 ARG 64 -7.290 -0.879 10.204 509 HH22 ARG 64 2HH2 ARG 64 -6.723 0.367 11.276 510 H SER 65 H SER 65 -5.268 -7.294 7.676 511 HA SER 65 HA SER 65 -7.995 -7.817 6.785 512 HB2 SER 65 1HB SER 65 -5.419 -7.540 5.207 513 HB3 SER 65 2HB SER 65 -7.025 -7.746 4.508 514 HG SER 65 HG SER 65 -6.082 -5.510 4.783 Start of MODEL 7 1 H1 MET 1 1H MET 1 -11.754 6.533 6.599 2 H2 MET 1 2H MET 1 -12.772 6.891 5.295 3 H3 MET 1 3H MET 1 -12.345 8.109 6.388 4 HA MET 1 HA MET 1 -11.087 8.407 4.405 5 HB2 MET 1 1HB MET 1 -9.376 7.183 6.582 6 HB3 MET 1 2HB MET 1 -8.806 8.264 5.311 7 HG2 MET 1 1HG MET 1 -10.187 10.060 6.198 8 HG3 MET 1 2HG MET 1 -10.803 8.978 7.450 9 HE1 MET 1 3HE MET 1 -9.548 11.817 8.108 10 HE2 MET 1 1HE MET 1 -8.555 11.411 9.508 11 HE3 MET 1 2HE MET 1 -10.161 10.699 9.326 12 H ALA 2 H ALA 2 -10.478 5.208 5.812 13 HA ALA 2 HA ALA 2 -9.760 4.261 3.113 14 HB1 ALA 2 3HB ALA 2 -8.315 2.601 4.174 15 HB2 ALA 2 1HB ALA 2 -8.742 3.237 5.763 16 HB3 ALA 2 2HB ALA 2 -7.838 4.237 4.626 17 H THR 3 H THR 3 -10.555 2.282 2.454 18 HA THR 3 HA THR 3 -12.697 1.148 4.139 19 HB THR 3 HB THR 3 -13.634 2.343 2.203 20 HG1 THR 3 HG1 THR 3 -14.986 0.721 2.545 21 HG21 THR 3 3HG2 THR 3 -11.777 2.182 0.655 22 HG22 THR 3 1HG2 THR 3 -13.228 1.503 -0.082 23 HG23 THR 3 2HG2 THR 3 -11.979 0.432 0.553 24 H ALA 4 H ALA 4 -13.262 -1.159 3.042 25 HA ALA 4 HA ALA 4 -11.139 -2.847 3.723 26 HB1 ALA 4 3HB ALA 4 -13.520 -3.517 2.005 27 HB2 ALA 4 1HB ALA 4 -13.500 -3.523 3.770 28 HB3 ALA 4 2HB ALA 4 -12.497 -4.662 2.871 29 H ASP 5 H ASP 5 -12.085 -1.477 0.652 30 HA ASP 5 HA ASP 5 -10.563 -3.081 -1.069 31 HB2 ASP 5 1HB ASP 5 -11.284 -0.153 -1.314 32 HB3 ASP 5 2HB ASP 5 -10.567 -1.109 -2.610 33 H ASP 6 H ASP 6 -9.685 -0.290 0.882 34 HA ASP 6 HA ASP 6 -7.079 0.025 -0.219 35 HB2 ASP 6 1HB ASP 6 -8.176 0.932 2.454 36 HB3 ASP 6 2HB ASP 6 -6.639 1.449 1.760 37 H PHE 7 H PHE 7 -8.346 -1.576 2.680 38 HA PHE 7 HA PHE 7 -5.930 -2.551 3.668 39 HB2 PHE 7 1HB PHE 7 -8.739 -3.634 3.869 40 HB3 PHE 7 2HB PHE 7 -7.376 -4.329 4.736 41 HD1 PHE 7 HD1 PHE 7 -6.125 -2.864 6.374 42 HD2 PHE 7 HD2 PHE 7 -9.892 -1.791 4.715 43 HE1 PHE 7 HE1 PHE 7 -6.470 -1.259 8.208 44 HE2 PHE 7 HE2 PHE 7 -10.245 -0.182 6.541 45 HZ PHE 7 HZ PHE 7 -8.532 0.088 8.293 46 H LYS 8 H LYS 8 -8.198 -3.878 1.343 47 HA LYS 8 HA LYS 8 -6.972 -6.364 0.914 48 HB2 LYS 8 1HB LYS 8 -9.226 -5.931 0.167 49 HB3 LYS 8 2HB LYS 8 -8.676 -4.634 -0.882 50 HG2 LYS 8 1HG LYS 8 -7.467 -6.273 -2.253 51 HG3 LYS 8 2HG LYS 8 -8.085 -7.567 -1.216 52 HD2 LYS 8 1HD LYS 8 -10.341 -7.088 -1.860 53 HD3 LYS 8 2HD LYS 8 -9.840 -5.631 -2.720 54 HE2 LYS 8 1HE LYS 8 -9.050 -8.450 -3.446 55 HE3 LYS 8 2HE LYS 8 -10.310 -7.509 -4.243 56 HZ1 LYS 8 3HZ LYS 8 -7.423 -6.796 -4.132 57 HZ2 LYS 8 1HZ LYS 8 -8.631 -5.893 -4.907 58 HZ3 LYS 8 2HZ LYS 8 -8.233 -7.439 -5.477 59 H LEU 9 H LEU 9 -6.374 -3.189 -0.460 60 HA LEU 9 HA LEU 9 -4.587 -4.168 -2.483 61 HB2 LEU 9 1HB LEU 9 -5.998 -2.076 -2.626 62 HB3 LEU 9 2HB LEU 9 -4.895 -1.337 -1.478 63 HG LEU 9 HG LEU 9 -3.881 -2.446 -4.084 64 HD11 LEU 9 1HD1 LEU 9 -5.710 -0.927 -4.634 65 HD12 LEU 9 2HD1 LEU 9 -4.150 -0.223 -5.059 66 HD13 LEU 9 3HD1 LEU 9 -4.996 0.315 -3.608 67 HD21 LEU 9 3HD2 LEU 9 -2.140 -0.768 -3.757 68 HD22 LEU 9 1HD2 LEU 9 -2.239 -1.852 -2.370 69 HD23 LEU 9 2HD2 LEU 9 -2.925 -0.229 -2.272 70 H ILE 10 H ILE 10 -4.239 -2.585 0.671 71 HA ILE 10 HA ILE 10 -1.430 -2.276 0.459 72 HB ILE 10 HB ILE 10 -2.829 -0.898 1.977 73 HG12 ILE 10 1HG1 ILE 10 -1.213 -0.895 3.872 74 HG13 ILE 10 2HG1 ILE 10 -0.541 -2.402 3.259 75 HG21 ILE 10 1HG2 ILE 10 -2.893 -3.364 3.703 76 HG22 ILE 10 2HG2 ILE 10 -4.270 -2.640 2.872 77 HG23 ILE 10 3HG2 ILE 10 -3.457 -1.759 4.166 78 HD11 ILE 10 3HD1 ILE 10 0.824 -0.507 2.617 79 HD12 ILE 10 1HD1 ILE 10 -0.560 0.238 1.818 80 HD13 ILE 10 2HD1 ILE 10 0.108 -1.272 1.198 81 H ARG 11 H ARG 11 -3.454 -4.873 1.721 82 HA ARG 11 HA ARG 11 -1.289 -6.300 2.918 83 HB2 ARG 11 1HB ARG 11 -2.797 -8.177 3.102 84 HB3 ARG 11 2HB ARG 11 -3.665 -6.711 3.527 85 HG2 ARG 11 1HG ARG 11 -4.699 -6.685 1.315 86 HG3 ARG 11 2HG ARG 11 -3.828 -8.160 0.894 87 HD2 ARG 11 1HD ARG 11 -4.960 -9.357 2.686 88 HD3 ARG 11 2HD ARG 11 -5.803 -7.881 3.156 89 HE ARG 11 HE ARG 11 -6.230 -8.609 0.407 90 HH11 ARG 11 1HH1 ARG 11 -7.254 -9.305 3.686 91 HH12 ARG 11 2HH1 ARG 11 -8.889 -9.700 3.232 92 HH21 ARG 11 1HH2 ARG 11 -8.356 -9.165 -0.199 93 HH22 ARG 11 2HH2 ARG 11 -9.514 -9.612 1.015 94 H ASP 12 H ASP 12 -2.627 -6.072 -0.276 95 HA ASP 12 HA ASP 12 -1.444 -8.367 -1.408 96 HB2 ASP 12 1HB ASP 12 -3.252 -7.131 -2.517 97 HB3 ASP 12 2HB ASP 12 -2.182 -5.744 -2.728 98 H ILE 13 H ILE 13 -0.308 -5.097 -0.875 99 HA ILE 13 HA ILE 13 2.063 -5.131 -2.313 100 HB ILE 13 HB ILE 13 1.827 -3.872 0.417 101 HG12 ILE 13 1HG1 ILE 13 -0.197 -3.300 -0.851 102 HG13 ILE 13 2HG1 ILE 13 0.849 -1.895 -0.666 103 HG21 ILE 13 1HG2 ILE 13 4.026 -3.799 -0.633 104 HG22 ILE 13 2HG2 ILE 13 3.319 -2.185 -0.541 105 HG23 ILE 13 3HG2 ILE 13 3.325 -3.060 -2.073 106 HD11 ILE 13 3HD1 ILE 13 -0.109 -2.008 -2.889 107 HD12 ILE 13 1HD1 ILE 13 0.605 -3.603 -3.129 108 HD13 ILE 13 2HD1 ILE 13 1.644 -2.188 -2.949 109 H HIS 14 H HIS 14 1.337 -6.287 0.935 110 HA HIS 14 HA HIS 14 3.973 -7.156 1.553 111 HB2 HIS 14 1HB HIS 14 1.300 -7.959 2.722 112 HB3 HIS 14 2HB HIS 14 2.858 -8.422 3.389 113 HD1 HIS 14 HD1 HIS 14 4.214 -6.579 4.615 114 HD2 HIS 14 HD2 HIS 14 0.487 -5.373 3.234 115 HE1 HIS 14 HE1 HIS 14 3.748 -4.378 5.754 116 HE2 HIS 14 HE2 HIS 14 1.387 -3.803 5.081 117 H SER 15 H SER 15 1.089 -8.696 0.256 118 HA SER 15 HA SER 15 2.019 -11.333 0.129 119 HB2 SER 15 1HB SER 15 -0.340 -10.733 -0.158 120 HB3 SER 15 2HB SER 15 0.039 -9.896 -1.662 121 HG SER 15 HG SER 15 -0.202 -11.735 -2.615 122 H THR 16 H THR 16 2.555 -8.580 -1.948 123 HA THR 16 HA THR 16 3.706 -10.056 -4.114 124 HB THR 16 HB THR 16 4.068 -7.112 -3.491 125 HG1 THR 16 HG1 THR 16 1.805 -7.880 -3.659 126 HG21 THR 16 3HG2 THR 16 4.366 -6.904 -5.919 127 HG22 THR 16 1HG2 THR 16 4.202 -8.652 -6.087 128 HG23 THR 16 2HG2 THR 16 5.577 -7.974 -5.215 129 H GLY 17 H GLY 17 4.789 -9.161 -1.034 130 HA2 GLY 17 1HA GLY 17 6.995 -10.297 -0.535 131 HA3 GLY 17 2HA GLY 17 7.619 -9.324 -1.865 132 H GLY 18 H GLY 18 5.543 -7.251 -0.715 133 HA2 GLY 18 1HA GLY 18 5.620 -5.873 1.300 134 HA3 GLY 18 2HA GLY 18 7.338 -6.250 1.411 135 H ARG 19 H ARG 19 6.767 -5.878 -1.767 136 HA ARG 19 HA ARG 19 6.923 -2.971 -1.817 137 HB2 ARG 19 1HB ARG 19 9.257 -3.930 -1.578 138 HB3 ARG 19 2HB ARG 19 9.026 -4.677 -3.155 139 HG2 ARG 19 1HG ARG 19 8.851 -2.545 -4.214 140 HG3 ARG 19 2HG ARG 19 8.843 -1.717 -2.653 141 HD2 ARG 19 1HD ARG 19 11.113 -3.351 -3.779 142 HD3 ARG 19 2HD ARG 19 11.035 -1.591 -3.732 143 HE ARG 19 HE ARG 19 10.702 -2.387 -1.122 144 HH11 ARG 19 1HH1 ARG 19 13.135 -2.914 -3.580 145 HH12 ARG 19 2HH1 ARG 19 14.453 -3.011 -2.450 146 HH21 ARG 19 1HH2 ARG 19 12.441 -2.520 0.384 147 HH22 ARG 19 2HH2 ARG 19 14.056 -2.768 -0.204 148 H ARG 20 H ARG 20 5.906 -2.161 -3.573 149 HA ARG 20 HA ARG 20 5.246 -4.015 -5.767 150 HB2 ARG 20 1HB ARG 20 3.341 -3.788 -4.180 151 HB3 ARG 20 2HB ARG 20 3.337 -2.054 -4.482 152 HG2 ARG 20 1HG ARG 20 1.603 -3.022 -5.785 153 HG3 ARG 20 2HG ARG 20 2.898 -2.565 -6.893 154 HD2 ARG 20 1HD ARG 20 3.673 -4.848 -6.992 155 HD3 ARG 20 2HD ARG 20 2.489 -5.332 -5.776 156 HE ARG 20 HE ARG 20 1.606 -4.237 -8.362 157 HH11 ARG 20 1HH1 ARG 20 1.724 -6.853 -6.035 158 HH12 ARG 20 2HH1 ARG 20 0.475 -7.773 -6.812 159 HH21 ARG 20 1HH2 ARG 20 -0.027 -5.470 -9.411 160 HH22 ARG 20 2HH2 ARG 20 -0.513 -6.991 -8.733 161 H GLN 21 H GLN 21 5.945 -3.214 -7.630 162 HA GLN 21 HA GLN 21 6.189 -0.294 -7.878 163 HB2 GLN 21 1HB GLN 21 7.718 -0.810 -9.800 164 HB3 GLN 21 2HB GLN 21 8.307 -1.329 -8.225 165 HG2 GLN 21 1HG GLN 21 7.608 -3.620 -8.720 166 HG3 GLN 21 2HG GLN 21 7.023 -3.093 -10.302 167 HE21 GLN 21 2HE2 GLN 21 8.495 -2.561 -11.897 168 HE22 GLN 21 1HE2 GLN 21 10.177 -2.984 -11.797 169 H VAL 22 H VAL 22 4.656 0.676 -8.937 170 HA VAL 22 HA VAL 22 3.029 -0.831 -10.848 171 HB VAL 22 HB VAL 22 2.546 1.943 -9.745 172 HG11 VAL 22 1HG1 VAL 22 1.392 1.524 -11.845 173 HG12 VAL 22 2HG1 VAL 22 0.241 1.585 -10.510 174 HG13 VAL 22 3HG1 VAL 22 0.717 0.030 -11.195 175 HG21 VAL 22 3HG2 VAL 22 1.402 -0.696 -8.831 176 HG22 VAL 22 1HG2 VAL 22 0.931 0.895 -8.232 177 HG23 VAL 22 2HG2 VAL 22 2.564 0.291 -7.946 178 H PHE 23 H PHE 23 3.027 -0.398 -12.992 179 HA PHE 23 HA PHE 23 5.283 1.167 -13.917 180 HB2 PHE 23 1HB PHE 23 3.375 -0.639 -15.412 181 HB3 PHE 23 2HB PHE 23 4.796 0.126 -16.115 182 HD1 PHE 23 HD2 PHE 23 3.593 -2.475 -13.844 183 HD2 PHE 23 HD1 PHE 23 7.015 -0.657 -15.600 184 HE1 PHE 23 HE2 PHE 23 4.968 -4.384 -13.126 185 HE2 PHE 23 HE1 PHE 23 8.397 -2.565 -14.888 186 HZ PHE 23 HZ PHE 23 7.372 -4.432 -13.648 187 H GLY 24 H GLY 24 2.654 2.397 -12.989 188 HA2 GLY 24 1HA GLY 24 1.895 4.550 -13.523 189 HA3 GLY 24 2HA GLY 24 2.603 4.373 -15.126 190 H SER 25 H SER 25 -0.203 4.683 -13.540 191 HA SER 25 HA SER 25 -1.936 4.246 -15.635 192 HB2 SER 25 1HB SER 25 -1.267 1.827 -15.383 193 HB3 SER 25 2HB SER 25 -1.941 1.859 -13.755 194 HG SER 25 HG SER 25 -3.199 1.680 -16.185 195 H ARG 26 H ARG 26 -4.296 3.884 -14.681 196 HA ARG 26 HA ARG 26 -4.675 5.793 -12.587 197 HB2 ARG 26 1HB ARG 26 -6.694 3.792 -13.630 198 HB3 ARG 26 2HB ARG 26 -7.041 5.254 -12.722 199 HG2 ARG 26 1HG ARG 26 -7.560 5.886 -14.870 200 HG3 ARG 26 2HG ARG 26 -5.897 6.455 -14.723 201 HD2 ARG 26 1HD ARG 26 -5.126 4.378 -15.807 202 HD3 ARG 26 2HD ARG 26 -6.805 3.888 -16.016 203 HE ARG 26 HE ARG 26 -6.301 6.456 -17.146 204 HH11 ARG 26 1HH1 ARG 26 -5.967 3.011 -17.701 205 HH12 ARG 26 2HH1 ARG 26 -5.892 3.168 -19.435 206 HH21 ARG 26 1HH2 ARG 26 -6.225 6.667 -19.418 207 HH22 ARG 26 2HH2 ARG 26 -6.048 5.247 -20.411 208 H GLU 27 H GLU 27 -4.026 2.485 -12.765 209 HA GLU 27 HA GLU 27 -5.094 1.509 -10.365 210 HB2 GLU 27 1HB GLU 27 -4.089 0.184 -12.268 211 HB3 GLU 27 2HB GLU 27 -2.503 0.660 -11.668 212 HG2 GLU 27 1HG GLU 27 -2.920 -1.511 -10.855 213 HG3 GLU 27 2HG GLU 27 -3.118 -0.415 -9.484 214 H GLN 28 H GLN 28 -2.357 3.563 -11.011 215 HA GLN 28 HA GLN 28 -1.000 2.909 -8.558 216 HB2 GLN 28 1HB GLN 28 0.313 3.523 -10.516 217 HB3 GLN 28 2HB GLN 28 -0.455 5.111 -10.558 218 HG2 GLN 28 1HG GLN 28 0.549 5.700 -8.449 219 HG3 GLN 28 2HG GLN 28 1.220 4.082 -8.279 220 HE21 GLN 28 2HE2 GLN 28 2.085 3.788 -10.973 221 HE22 GLN 28 1HE2 GLN 28 3.429 4.858 -11.214 222 H LYS 29 H LYS 29 -3.466 5.138 -9.463 223 HA LYS 29 HA LYS 29 -2.984 7.280 -7.776 224 HB2 LYS 29 1HB LYS 29 -4.794 7.304 -9.417 225 HB3 LYS 29 2HB LYS 29 -5.675 6.101 -8.483 226 HG2 LYS 29 1HG LYS 29 -5.789 7.700 -6.600 227 HG3 LYS 29 2HG LYS 29 -5.012 8.909 -7.621 228 HD2 LYS 29 1HD LYS 29 -6.879 8.742 -9.209 229 HD3 LYS 29 2HD LYS 29 -7.658 7.564 -8.152 230 HE2 LYS 29 1HE LYS 29 -6.988 10.412 -7.419 231 HE3 LYS 29 2HE LYS 29 -8.585 9.819 -7.864 232 HZ1 LYS 29 3HZ LYS 29 -7.006 8.989 -5.482 233 HZ2 LYS 29 1HZ LYS 29 -8.507 8.333 -5.933 234 HZ3 LYS 29 2HZ LYS 29 -8.391 9.965 -5.485 235 HA PRO 30 HA PRO 30 -5.394 4.993 -4.183 236 HB2 PRO 30 1HB PRO 30 -5.131 2.245 -4.329 237 HB3 PRO 30 2HB PRO 30 -6.594 3.152 -4.727 238 HG2 PRO 30 1HG PRO 30 -4.489 2.061 -6.536 239 HG3 PRO 30 2HG PRO 30 -6.246 2.136 -6.768 240 HD2 PRO 30 1HD PRO 30 -4.590 3.851 -7.996 241 HD3 PRO 30 2HD PRO 30 -6.191 4.360 -7.413 242 H PHE 31 H PHE 31 -2.513 3.751 -5.752 243 HA PHE 31 HA PHE 31 -1.215 2.861 -3.391 244 HB2 PHE 31 1HB PHE 31 -0.221 3.563 -6.146 245 HB3 PHE 31 2HB PHE 31 0.870 3.067 -4.857 246 HD1 PHE 31 HD2 PHE 31 -2.139 1.956 -6.733 247 HD2 PHE 31 HD1 PHE 31 1.289 0.819 -4.488 248 HE1 PHE 31 HE2 PHE 31 -2.559 -0.402 -7.292 249 HE2 PHE 31 HE1 PHE 31 0.873 -1.538 -5.042 250 HZ PHE 31 HZ PHE 31 -1.052 -2.152 -6.446 251 H GLU 32 H GLU 32 -0.960 5.835 -5.327 252 HA GLU 32 HA GLU 32 0.872 7.046 -3.500 253 HB2 GLU 32 1HB GLU 32 0.598 9.072 -4.800 254 HB3 GLU 32 2HB GLU 32 0.790 7.696 -5.872 255 HG2 GLU 32 1HG GLU 32 -1.639 7.670 -6.234 256 HG3 GLU 32 2HG GLU 32 -1.786 9.096 -5.208 257 H ASP 33 H ASP 33 -2.577 6.876 -3.795 258 HA ASP 33 HA ASP 33 -3.286 8.858 -1.922 259 HB2 ASP 33 1HB ASP 33 -4.601 6.594 -3.214 260 HB3 ASP 33 2HB ASP 33 -5.152 6.835 -1.556 261 H LEU 34 H LEU 34 -2.402 5.459 -1.551 262 HA LEU 34 HA LEU 34 -2.795 5.359 1.246 263 HB2 LEU 34 1HB LEU 34 -1.078 3.683 -0.582 264 HB3 LEU 34 2HB LEU 34 -1.304 3.346 1.125 265 HG LEU 34 HG LEU 34 -3.433 3.300 -1.013 266 HD11 LEU 34 1HD1 LEU 34 -2.245 1.117 0.690 267 HD12 LEU 34 2HD1 LEU 34 -1.961 1.364 -1.032 268 HD13 LEU 34 3HD1 LEU 34 -3.569 0.924 -0.458 269 HD21 LEU 34 3HD2 LEU 34 -3.689 2.811 1.952 270 HD22 LEU 34 1HD2 LEU 34 -4.956 2.565 0.750 271 HD23 LEU 34 2HD2 LEU 34 -4.347 4.189 1.067 272 H VAL 35 H VAL 35 -0.153 6.446 -0.764 273 HA VAL 35 HA VAL 35 1.835 6.609 1.224 274 HB VAL 35 HB VAL 35 1.432 8.427 -1.160 275 HG11 VAL 35 1HG1 VAL 35 3.799 8.965 -0.935 276 HG12 VAL 35 2HG1 VAL 35 3.902 7.954 0.506 277 HG13 VAL 35 3HG1 VAL 35 2.915 9.414 0.524 278 HG21 VAL 35 3HG2 VAL 35 3.103 5.941 -0.836 279 HG22 VAL 35 1HG2 VAL 35 3.105 6.998 -2.247 280 HG23 VAL 35 2HG2 VAL 35 1.646 6.103 -1.817 281 H ASP 36 H ASP 36 -0.717 8.828 0.235 282 HA ASP 36 HA ASP 36 -0.051 10.965 1.952 283 HB2 ASP 36 1HB ASP 36 -1.655 11.035 -0.006 284 HB3 ASP 36 2HB ASP 36 -2.833 10.224 1.025 285 H LEU 37 H LEU 37 -2.046 8.098 2.359 286 HA LEU 37 HA LEU 37 -2.937 8.738 4.994 287 HB2 LEU 37 1HB LEU 37 -2.858 6.155 3.436 288 HB3 LEU 37 2HB LEU 37 -3.554 6.294 5.040 289 HG LEU 37 HG LEU 37 -4.516 7.825 2.624 290 HD11 LEU 37 1HD1 LEU 37 -6.427 6.302 2.663 291 HD12 LEU 37 2HD1 LEU 37 -5.671 5.384 3.965 292 HD13 LEU 37 3HD1 LEU 37 -4.920 5.435 2.371 293 HD21 LEU 37 3HD2 LEU 37 -4.942 8.964 4.737 294 HD22 LEU 37 1HD2 LEU 37 -5.680 7.499 5.388 295 HD23 LEU 37 2HD2 LEU 37 -6.440 8.346 4.041 296 H GLY 38 H GLY 38 -0.024 7.531 3.695 297 HA2 GLY 38 1HA GLY 38 1.977 7.283 4.889 298 HA3 GLY 38 2HA GLY 38 1.047 7.191 6.382 299 H TRP 39 H TRP 39 -0.105 5.217 3.855 300 HA TRP 39 HA TRP 39 0.682 2.833 5.331 301 HB2 TRP 39 1HB TRP 39 -1.152 3.274 2.970 302 HB3 TRP 39 2HB TRP 39 -0.803 1.681 3.642 303 HD1 TRP 39 HD1 TRP 39 -1.179 4.391 6.227 304 HE1 TRP 39 HE1 TRP 39 -3.435 4.120 7.441 305 HE3 TRP 39 HE3 TRP 39 -3.341 0.898 3.175 306 HZ2 TRP 39 HZ2 TRP 39 -5.791 2.647 7.146 307 HZ3 TRP 39 HZ3 TRP 39 -5.607 0.110 3.717 308 HH2 TRP 39 HH2 TRP 39 -6.809 0.967 5.663 309 H LEU 40 H LEU 40 1.261 4.401 2.269 310 HA LEU 40 HA LEU 40 3.277 2.350 1.660 311 HB2 LEU 40 1HB LEU 40 1.481 3.912 -0.167 312 HB3 LEU 40 2HB LEU 40 2.985 3.223 -0.748 313 HG LEU 40 HG LEU 40 0.710 1.655 0.470 314 HD11 LEU 40 1HD1 LEU 40 0.122 2.533 -1.718 315 HD12 LEU 40 2HD1 LEU 40 0.402 0.794 -1.808 316 HD13 LEU 40 3HD1 LEU 40 1.631 1.915 -2.389 317 HD21 LEU 40 3HD2 LEU 40 3.278 0.748 -0.832 318 HD22 LEU 40 1HD2 LEU 40 1.975 -0.303 -0.273 319 HD23 LEU 40 2HD2 LEU 40 2.900 0.649 0.888 320 H LYS 41 H LYS 41 5.166 3.062 0.571 321 HA LYS 41 HA LYS 41 5.780 5.929 0.839 322 HB2 LYS 41 1HB LYS 41 6.797 4.597 2.710 323 HB3 LYS 41 2HB LYS 41 7.663 3.646 1.504 324 HG2 LYS 41 1HG LYS 41 8.554 5.960 0.717 325 HG3 LYS 41 2HG LYS 41 8.072 6.483 2.334 326 HD2 LYS 41 1HD LYS 41 10.052 4.328 1.608 327 HD3 LYS 41 2HD LYS 41 10.381 5.861 2.413 328 HE2 LYS 41 1HE LYS 41 8.846 5.040 4.265 329 HE3 LYS 41 2HE LYS 41 8.940 3.458 3.493 330 HZ1 LYS 41 3HZ LYS 41 11.206 5.032 4.588 331 HZ2 LYS 41 1HZ LYS 41 11.381 3.582 3.728 332 HZ3 LYS 41 2HZ LYS 41 10.577 3.594 5.220 333 H ARG 42 H ARG 42 7.011 6.764 -0.844 334 HA ARG 42 HA ARG 42 7.425 5.005 -3.107 335 HB2 ARG 42 1HB ARG 42 7.977 7.949 -2.707 336 HB3 ARG 42 2HB ARG 42 8.343 7.080 -4.199 337 HG2 ARG 42 1HG ARG 42 5.887 6.399 -4.207 338 HG3 ARG 42 2HG ARG 42 5.664 7.639 -2.971 339 HD2 ARG 42 1HD ARG 42 6.224 9.368 -4.420 340 HD3 ARG 42 2HD ARG 42 7.038 8.285 -5.551 341 HE ARG 42 HE ARG 42 4.445 7.454 -5.590 342 HH11 ARG 42 1HH1 ARG 42 5.973 10.575 -6.043 343 HH12 ARG 42 2HH1 ARG 42 4.832 11.091 -7.256 344 HH21 ARG 42 1HH2 ARG 42 2.957 8.122 -7.163 345 HH22 ARG 42 2HH2 ARG 42 3.093 9.705 -7.872 346 H SER 43 H SER 43 9.069 3.672 -3.040 347 HA SER 43 HA SER 43 11.305 4.200 -1.278 348 HB2 SER 43 1HB SER 43 10.027 1.964 -1.578 349 HB3 SER 43 2HB SER 43 10.967 1.786 -3.059 350 HG SER 43 HG SER 43 12.867 2.077 -1.680 351 H SER 44 H SER 44 10.613 3.771 -4.686 352 HA SER 44 HA SER 44 12.851 5.370 -5.444 353 HB2 SER 44 1HB SER 44 13.827 3.572 -6.938 354 HB3 SER 44 2HB SER 44 14.088 3.344 -5.210 355 HG SER 44 HG SER 44 13.423 1.397 -6.012 356 H VAL 45 H VAL 45 12.026 6.629 -6.970 357 HA VAL 45 HA VAL 45 9.768 5.647 -8.534 358 HB VAL 45 HB VAL 45 9.565 8.012 -9.312 359 HG11 VAL 45 1HG1 VAL 45 8.253 7.187 -7.433 360 HG12 VAL 45 2HG1 VAL 45 8.706 8.874 -7.187 361 HG13 VAL 45 3HG1 VAL 45 9.563 7.597 -6.324 362 HG21 VAL 45 3HG2 VAL 45 11.742 8.510 -7.284 363 HG22 VAL 45 1HG2 VAL 45 10.813 9.750 -8.129 364 HG23 VAL 45 2HG2 VAL 45 11.892 8.687 -9.032 365 H ASP 46 H ASP 46 9.742 5.459 -10.705 366 HA ASP 46 HA ASP 46 12.255 5.921 -12.155 367 HB2 ASP 46 1HB ASP 46 12.244 3.574 -11.814 368 HB3 ASP 46 2HB ASP 46 10.512 3.456 -12.122 369 H SER 47 H SER 47 11.906 6.017 -14.528 370 HA SER 47 HA SER 47 10.083 7.969 -15.239 371 HB2 SER 47 1HB SER 47 11.202 5.923 -17.154 372 HB3 SER 47 2HB SER 47 10.798 7.609 -17.480 373 HG SER 47 HG SER 47 13.066 6.510 -16.357 374 H ARG 48 H ARG 48 9.691 4.480 -15.181 375 HA ARG 48 HA ARG 48 6.945 4.874 -16.170 376 HB2 ARG 48 1HB ARG 48 8.436 3.613 -17.744 377 HB3 ARG 48 2HB ARG 48 8.587 2.366 -16.514 378 HG2 ARG 48 1HG ARG 48 6.231 1.896 -16.628 379 HG3 ARG 48 2HG ARG 48 5.982 3.243 -17.741 380 HD2 ARG 48 1HD ARG 48 7.589 0.744 -18.261 381 HD3 ARG 48 2HD ARG 48 6.028 1.159 -18.969 382 HE ARG 48 HE ARG 48 7.889 3.199 -19.531 383 HH11 ARG 48 1HH1 ARG 48 7.023 -0.061 -20.467 384 HH12 ARG 48 2HH1 ARG 48 7.847 0.024 -21.992 385 HH21 ARG 48 1HH2 ARG 48 8.938 3.337 -21.554 386 HH22 ARG 48 2HH2 ARG 48 8.930 1.965 -22.625 387 H ALA 49 H ALA 49 8.995 2.778 -14.152 388 HA ALA 49 HA ALA 49 6.564 1.862 -12.780 389 HB1 ALA 49 3HB ALA 49 9.351 0.723 -12.657 390 HB2 ALA 49 1HB ALA 49 8.054 0.143 -13.702 391 HB3 ALA 49 2HB ALA 49 7.896 0.019 -11.950 392 H THR 50 H THR 50 6.029 2.927 -11.005 393 HA THR 50 HA THR 50 8.103 4.164 -9.360 394 HB THR 50 HB THR 50 5.079 4.293 -9.119 395 HG1 THR 50 HG1 THR 50 5.539 5.482 -10.880 396 HG21 THR 50 3HG2 THR 50 6.246 4.687 -6.978 397 HG22 THR 50 1HG2 THR 50 5.484 6.157 -7.589 398 HG23 THR 50 2HG2 THR 50 7.226 5.933 -7.753 399 H HIS 51 H HIS 51 8.933 3.114 -7.669 400 HA HIS 51 HA HIS 51 7.763 0.550 -6.912 401 HB2 HIS 51 1HB HIS 51 10.385 1.828 -6.086 402 HB3 HIS 51 2HB HIS 51 9.884 0.184 -5.707 403 HD1 HIS 51 HD1 HIS 51 11.506 -1.194 -6.985 404 HD2 HIS 51 HD2 HIS 51 9.921 1.877 -9.302 405 HE1 HIS 51 HE1 HIS 51 12.371 -1.584 -9.314 406 HE2 HIS 51 HE2 HIS 51 11.554 0.385 -10.655 407 H TYR 52 H TYR 52 6.351 0.482 -5.278 408 HA TYR 52 HA TYR 52 6.551 2.494 -3.157 409 HB2 TYR 52 1HB TYR 52 4.297 0.684 -4.021 410 HB3 TYR 52 2HB TYR 52 4.250 1.615 -2.520 411 HD1 TYR 52 HD1 TYR 52 4.041 4.018 -2.555 412 HD2 TYR 52 HD2 TYR 52 4.153 1.806 -6.185 413 HE1 TYR 52 HE1 TYR 52 3.253 5.998 -3.780 414 HE2 TYR 52 HE2 TYR 52 3.360 3.784 -7.420 415 HH TYR 52 HH TYR 52 2.218 5.864 -7.051 416 H GLN 53 H GLN 53 6.921 2.032 -1.119 417 HA GLN 53 HA GLN 53 7.600 -0.748 -0.419 418 HB2 GLN 53 1HB GLN 53 9.524 0.724 -0.346 419 HB3 GLN 53 2HB GLN 53 8.639 1.901 0.617 420 HG2 GLN 53 1HG GLN 53 8.497 0.183 2.429 421 HG3 GLN 53 2HG GLN 53 9.579 -0.827 1.467 422 HE21 GLN 53 2HE2 GLN 53 11.116 1.438 0.471 423 HE22 GLN 53 1HE2 GLN 53 12.084 1.990 1.799 424 H ILE 54 H ILE 54 6.744 -1.635 1.435 425 HA ILE 54 HA ILE 54 4.397 -0.525 2.573 426 HB ILE 54 HB ILE 54 4.607 -2.351 4.258 427 HG12 ILE 54 1HG1 ILE 54 7.093 -3.066 2.679 428 HG13 ILE 54 2HG1 ILE 54 7.083 -2.428 4.319 429 HG21 ILE 54 1HG2 ILE 54 3.415 -2.695 2.168 430 HG22 ILE 54 2HG2 ILE 54 4.248 -4.170 2.658 431 HG23 ILE 54 3HG2 ILE 54 4.917 -3.165 1.372 432 HD11 ILE 54 3HD1 ILE 54 7.435 -4.835 4.284 433 HD12 ILE 54 1HD1 ILE 54 5.895 -5.053 3.450 434 HD13 ILE 54 2HD1 ILE 54 5.925 -4.420 5.096 435 H THR 55 H THR 55 4.046 0.430 4.567 436 HA THR 55 HA THR 55 6.454 1.336 6.007 437 HB THR 55 HB THR 55 5.105 3.188 6.854 438 HG1 THR 55 HG1 THR 55 2.945 3.436 5.961 439 HG21 THR 55 3HG2 THR 55 4.754 4.423 4.769 440 HG22 THR 55 1HG2 THR 55 4.846 2.918 3.854 441 HG23 THR 55 2HG2 THR 55 6.265 3.514 4.716 442 H GLU 56 H GLU 56 5.588 2.018 8.388 443 HA GLU 56 HA GLU 56 4.901 -0.347 9.764 444 HB2 GLU 56 1HB GLU 56 6.104 1.577 10.775 445 HB3 GLU 56 2HB GLU 56 4.619 2.515 10.701 446 HG2 GLU 56 1HG GLU 56 3.553 0.812 12.168 447 HG3 GLU 56 2HG GLU 56 5.131 0.042 12.332 448 H ARG 57 H ARG 57 3.000 2.564 8.956 449 HA ARG 57 HA ARG 57 0.534 1.647 9.932 450 HB2 ARG 57 1HB ARG 57 1.199 3.585 7.722 451 HB3 ARG 57 2HB ARG 57 -0.457 3.239 8.213 452 HG2 ARG 57 1HG ARG 57 0.102 4.003 10.492 453 HG3 ARG 57 2HG ARG 57 1.713 4.439 9.918 454 HD2 ARG 57 1HD ARG 57 0.752 6.008 8.332 455 HD3 ARG 57 2HD ARG 57 -0.878 5.534 8.824 456 HE ARG 57 HE ARG 57 0.645 6.450 11.047 457 HH11 ARG 57 1HH1 ARG 57 -1.137 7.559 8.239 458 HH12 ARG 57 2HH1 ARG 57 -1.494 9.119 8.919 459 HH21 ARG 57 1HH2 ARG 57 0.171 8.501 11.954 460 HH22 ARG 57 2HH2 ARG 57 -0.768 9.648 11.035 461 H GLY 58 H GLY 58 2.101 1.227 6.800 462 HA2 GLY 58 1HA GLY 58 -0.072 -0.033 5.498 463 HA3 GLY 58 2HA GLY 58 1.622 -0.161 5.033 464 H THR 59 H THR 59 2.504 -1.275 7.536 465 HA THR 59 HA THR 59 1.865 -4.022 7.111 466 HB THR 59 HB THR 59 3.351 -2.742 9.417 467 HG1 THR 59 HG1 THR 59 4.519 -2.276 7.612 468 HG21 THR 59 3HG2 THR 59 4.357 -4.949 9.721 469 HG22 THR 59 1HG2 THR 59 3.378 -5.590 8.400 470 HG23 THR 59 2HG2 THR 59 2.603 -5.039 9.886 471 H SER 60 H SER 60 1.113 -1.656 9.632 472 HA SER 60 HA SER 60 -0.367 -3.406 11.280 473 HB2 SER 60 1HB SER 60 0.611 -1.220 11.998 474 HB3 SER 60 2HB SER 60 -0.637 -0.397 11.057 475 HG SER 60 HG SER 60 -1.542 -2.314 12.844 476 H ALA 61 H ALA 61 -1.238 -1.465 8.492 477 HA ALA 61 HA ALA 61 -4.059 -1.700 8.812 478 HB1 ALA 61 3HB ALA 61 -4.195 -0.911 6.517 479 HB2 ALA 61 1HB ALA 61 -2.467 -1.194 6.300 480 HB3 ALA 61 2HB ALA 61 -3.025 0.043 7.427 481 H ALA 62 H ALA 62 -1.662 -3.450 6.879 482 HA ALA 62 HA ALA 62 -3.529 -5.161 5.622 483 HB1 ALA 62 3HB ALA 62 -0.571 -5.543 6.040 484 HB2 ALA 62 1HB ALA 62 -1.327 -4.702 4.687 485 HB3 ALA 62 2HB ALA 62 -1.580 -6.434 4.901 486 H LEU 63 H LEU 63 -1.651 -5.408 8.578 487 HA LEU 63 HA LEU 63 -2.118 -8.112 9.164 488 HB2 LEU 63 1HB LEU 63 -0.503 -6.619 10.341 489 HB3 LEU 63 2HB LEU 63 -1.862 -5.818 11.115 490 HG LEU 63 HG LEU 63 -2.473 -7.993 12.174 491 HD11 LEU 63 1HD1 LEU 63 -1.405 -9.484 10.568 492 HD12 LEU 63 2HD1 LEU 63 -0.813 -9.783 12.203 493 HD13 LEU 63 3HD1 LEU 63 0.182 -8.887 11.056 494 HD21 LEU 63 3HD2 LEU 63 0.298 -6.952 12.739 495 HD22 LEU 63 1HD2 LEU 63 -0.669 -7.941 13.832 496 HD23 LEU 63 2HD2 LEU 63 -1.209 -6.320 13.398 497 H ARG 64 H ARG 64 -4.108 -5.286 9.436 498 HA ARG 64 HA ARG 64 -6.147 -6.700 10.966 499 HB2 ARG 64 1HB ARG 64 -5.991 -3.827 10.035 500 HB3 ARG 64 2HB ARG 64 -7.294 -4.497 11.007 501 HG2 ARG 64 1HG ARG 64 -5.732 -4.967 12.809 502 HG3 ARG 64 2HG ARG 64 -4.403 -4.339 11.833 503 HD2 ARG 64 1HD ARG 64 -6.820 -2.757 12.699 504 HD3 ARG 64 2HD ARG 64 -5.243 -2.709 13.488 505 HE ARG 64 HE ARG 64 -4.576 -2.058 10.997 506 HH11 ARG 64 1HH1 ARG 64 -7.180 -0.912 13.031 507 HH12 ARG 64 2HH1 ARG 64 -7.221 0.675 12.313 508 HH21 ARG 64 1HH2 ARG 64 -4.636 0.040 10.036 509 HH22 ARG 64 2HH2 ARG 64 -5.800 1.200 10.597 510 H SER 65 H SER 65 -6.552 -8.193 9.177 511 HA SER 65 HA SER 65 -8.681 -7.152 7.515 512 HB2 SER 65 1HB SER 65 -7.680 -8.372 5.489 513 HB3 SER 65 2HB SER 65 -6.942 -6.838 5.948 514 HG SER 65 HG SER 65 -5.176 -7.860 6.652 Start of MODEL 8 1 H1 MET 1 1H MET 1 -9.092 8.357 5.979 2 H2 MET 1 2H MET 1 -8.355 7.079 6.814 3 H3 MET 1 3H MET 1 -9.521 8.036 7.589 4 HA MET 1 HA MET 1 -10.408 5.889 6.943 5 HB2 MET 1 1HB MET 1 -11.471 8.373 5.628 6 HB3 MET 1 2HB MET 1 -12.291 6.826 5.432 7 HG2 MET 1 1HG MET 1 -12.515 6.662 7.871 8 HG3 MET 1 2HG MET 1 -11.746 8.244 8.031 9 HE1 MET 1 3HE MET 1 -14.635 7.363 9.210 10 HE2 MET 1 1HE MET 1 -15.563 8.830 8.901 11 HE3 MET 1 2HE MET 1 -13.911 8.945 9.507 12 H ALA 2 H ALA 2 -10.012 4.244 5.698 13 HA ALA 2 HA ALA 2 -9.692 4.686 2.801 14 HB1 ALA 2 3HB ALA 2 -8.343 2.563 4.476 15 HB2 ALA 2 1HB ALA 2 -7.561 3.999 3.816 16 HB3 ALA 2 2HB ALA 2 -8.190 2.761 2.730 17 H THR 3 H THR 3 -10.362 2.717 1.524 18 HA THR 3 HA THR 3 -12.760 1.574 2.779 19 HB THR 3 HB THR 3 -13.106 2.744 0.631 20 HG1 THR 3 HG1 THR 3 -14.053 0.767 -0.471 21 HG21 THR 3 3HG2 THR 3 -10.943 2.283 -0.415 22 HG22 THR 3 1HG2 THR 3 -12.270 1.766 -1.455 23 HG23 THR 3 2HG2 THR 3 -11.356 0.574 -0.533 24 H ALA 4 H ALA 4 -13.259 -0.736 1.902 25 HA ALA 4 HA ALA 4 -11.318 -2.462 2.972 26 HB1 ALA 4 3HB ALA 4 -13.615 -3.147 1.145 27 HB2 ALA 4 1HB ALA 4 -13.702 -3.005 2.900 28 HB3 ALA 4 2HB ALA 4 -12.725 -4.277 2.165 29 H ASP 5 H ASP 5 -11.933 -1.362 -0.280 30 HA ASP 5 HA ASP 5 -10.303 -3.168 -1.682 31 HB2 ASP 5 1HB ASP 5 -11.856 -1.675 -2.833 32 HB3 ASP 5 2HB ASP 5 -10.931 -0.271 -2.296 33 H ASP 6 H ASP 6 -9.566 -0.180 0.026 34 HA ASP 6 HA ASP 6 -6.866 0.016 -0.820 35 HB2 ASP 6 1HB ASP 6 -8.210 1.115 1.661 36 HB3 ASP 6 2HB ASP 6 -6.579 1.532 1.136 37 H PHE 7 H PHE 7 -8.419 -1.427 2.018 38 HA PHE 7 HA PHE 7 -6.100 -2.326 3.286 39 HB2 PHE 7 1HB PHE 7 -8.935 -3.347 3.320 40 HB3 PHE 7 2HB PHE 7 -7.660 -4.057 4.308 41 HD1 PHE 7 HD1 PHE 7 -6.569 -2.700 6.068 42 HD2 PHE 7 HD2 PHE 7 -9.970 -1.309 3.927 43 HE1 PHE 7 HE1 PHE 7 -6.976 -1.015 7.815 44 HE2 PHE 7 HE2 PHE 7 -10.383 0.377 5.668 45 HZ PHE 7 HZ PHE 7 -8.884 0.527 7.616 46 H LYS 8 H LYS 8 -8.155 -3.813 0.847 47 HA LYS 8 HA LYS 8 -6.829 -6.277 0.628 48 HB2 LYS 8 1HB LYS 8 -8.991 -5.912 -0.399 49 HB3 LYS 8 2HB LYS 8 -8.336 -4.644 -1.423 50 HG2 LYS 8 1HG LYS 8 -6.932 -6.311 -2.555 51 HG3 LYS 8 2HG LYS 8 -7.655 -7.575 -1.554 52 HD2 LYS 8 1HD LYS 8 -9.161 -5.764 -3.444 53 HD3 LYS 8 2HD LYS 8 -8.697 -7.432 -3.784 54 HE2 LYS 8 1HE LYS 8 -10.519 -6.521 -1.558 55 HE3 LYS 8 2HE LYS 8 -11.032 -7.277 -3.065 56 HZ1 LYS 8 3HZ LYS 8 -10.969 -8.913 -1.337 57 HZ2 LYS 8 1HZ LYS 8 -9.368 -8.520 -0.939 58 HZ3 LYS 8 2HZ LYS 8 -9.721 -9.242 -2.434 59 H LEU 9 H LEU 9 -6.312 -3.180 -0.947 60 HA LEU 9 HA LEU 9 -4.290 -4.033 -2.727 61 HB2 LEU 9 1HB LEU 9 -5.732 -2.009 -2.976 62 HB3 LEU 9 2HB LEU 9 -4.828 -1.254 -1.674 63 HG LEU 9 HG LEU 9 -3.398 -2.210 -4.134 64 HD11 LEU 9 1HD1 LEU 9 -5.247 -0.852 -4.946 65 HD12 LEU 9 2HD1 LEU 9 -3.718 0.012 -5.114 66 HD13 LEU 9 3HD1 LEU 9 -4.827 0.425 -3.805 67 HD21 LEU 9 3HD2 LEU 9 -2.064 -1.512 -2.217 68 HD22 LEU 9 1HD2 LEU 9 -2.914 0.033 -2.174 69 HD23 LEU 9 2HD2 LEU 9 -1.887 -0.370 -3.550 70 H ILE 10 H ILE 10 -4.144 -2.355 0.428 71 HA ILE 10 HA ILE 10 -1.321 -2.169 0.441 72 HB ILE 10 HB ILE 10 -2.767 -0.773 1.889 73 HG12 ILE 10 1HG1 ILE 10 -1.329 -0.906 3.919 74 HG13 ILE 10 2HG1 ILE 10 -0.675 -2.425 3.315 75 HG21 ILE 10 1HG2 ILE 10 -3.646 -1.651 3.980 76 HG22 ILE 10 2HG2 ILE 10 -3.099 -3.270 3.542 77 HG23 ILE 10 3HG2 ILE 10 -4.363 -2.481 2.598 78 HD11 ILE 10 3HD1 ILE 10 -0.446 0.261 1.982 79 HD12 ILE 10 1HD1 ILE 10 0.196 -1.256 1.352 80 HD13 ILE 10 2HD1 ILE 10 0.830 -0.587 2.857 81 H ARG 11 H ARG 11 -3.538 -4.693 1.376 82 HA ARG 11 HA ARG 11 -1.629 -6.329 2.718 83 HB2 ARG 11 1HB ARG 11 -4.208 -6.450 2.790 84 HB3 ARG 11 2HB ARG 11 -4.084 -7.334 1.278 85 HG2 ARG 11 1HG ARG 11 -2.597 -8.228 3.720 86 HG3 ARG 11 2HG ARG 11 -4.288 -8.656 3.465 87 HD2 ARG 11 1HD ARG 11 -3.686 -9.687 1.318 88 HD3 ARG 11 2HD ARG 11 -1.996 -9.274 1.604 89 HE ARG 11 HE ARG 11 -2.592 -10.704 3.790 90 HH11 ARG 11 1HH1 ARG 11 -3.196 -11.309 0.401 91 HH12 ARG 11 2HH1 ARG 11 -3.085 -13.041 0.554 92 HH21 ARG 11 1HH2 ARG 11 -2.424 -12.981 4.000 93 HH22 ARG 11 2HH2 ARG 11 -2.603 -13.985 2.594 94 H ASP 12 H ASP 12 -2.693 -5.938 -0.601 95 HA ASP 12 HA ASP 12 -1.419 -8.132 -1.793 96 HB2 ASP 12 1HB ASP 12 -3.063 -6.777 -2.981 97 HB3 ASP 12 2HB ASP 12 -1.993 -5.379 -2.911 98 H ILE 13 H ILE 13 -0.232 -4.954 -0.907 99 HA ILE 13 HA ILE 13 2.239 -4.997 -2.182 100 HB ILE 13 HB ILE 13 1.854 -3.800 0.552 101 HG12 ILE 13 1HG1 ILE 13 -0.103 -3.182 -0.811 102 HG13 ILE 13 2HG1 ILE 13 0.935 -1.796 -0.514 103 HG21 ILE 13 1HG2 ILE 13 3.476 -2.955 -1.847 104 HG22 ILE 13 2HG2 ILE 13 4.098 -3.707 -0.378 105 HG23 ILE 13 3HG2 ILE 13 3.390 -2.093 -0.310 106 HD11 ILE 13 3HD1 ILE 13 1.862 -2.008 -2.759 107 HD12 ILE 13 1HD1 ILE 13 0.111 -1.807 -2.787 108 HD13 ILE 13 2HD1 ILE 13 0.819 -3.400 -3.053 109 H HIS 14 H HIS 14 1.201 -6.399 0.873 110 HA HIS 14 HA HIS 14 3.824 -7.209 1.684 111 HB2 HIS 14 1HB HIS 14 1.082 -8.069 2.632 112 HB3 HIS 14 2HB HIS 14 2.594 -8.575 3.380 113 HD1 HIS 14 HD1 HIS 14 3.808 -6.837 4.882 114 HD2 HIS 14 HD2 HIS 14 0.298 -5.461 3.129 115 HE1 HIS 14 HE1 HIS 14 3.311 -4.637 5.992 116 HE2 HIS 14 HE2 HIS 14 1.054 -3.964 5.096 117 H SER 15 H SER 15 1.125 -8.682 -0.009 118 HA SER 15 HA SER 15 2.088 -11.339 0.000 119 HB2 SER 15 1HB SER 15 0.224 -10.010 -1.984 120 HB3 SER 15 2HB SER 15 0.397 -11.744 -1.716 121 HG SER 15 HG SER 15 -0.143 -11.070 0.603 122 H THR 16 H THR 16 2.829 -8.576 -1.971 123 HA THR 16 HA THR 16 4.060 -10.181 -4.052 124 HB THR 16 HB THR 16 4.692 -7.833 -4.937 125 HG1 THR 16 HG1 THR 16 2.544 -6.984 -3.306 126 HG21 THR 16 3HG2 THR 16 2.442 -7.531 -5.878 127 HG22 THR 16 1HG2 THR 16 1.801 -8.669 -4.693 128 HG23 THR 16 2HG2 THR 16 2.944 -9.222 -5.919 129 H GLY 17 H GLY 17 5.028 -9.456 -1.063 130 HA2 GLY 17 1HA GLY 17 7.278 -10.259 -0.542 131 HA3 GLY 17 2HA GLY 17 7.848 -9.348 -1.936 132 H GLY 18 H GLY 18 5.601 -7.419 -0.531 133 HA2 GLY 18 1HA GLY 18 5.718 -5.974 1.369 134 HA3 GLY 18 2HA GLY 18 7.440 -6.332 1.492 135 H ARG 19 H ARG 19 7.336 -5.991 -1.595 136 HA ARG 19 HA ARG 19 7.302 -3.055 -1.653 137 HB2 ARG 19 1HB ARG 19 9.436 -4.848 -2.839 138 HB3 ARG 19 2HB ARG 19 9.331 -3.106 -3.076 139 HG2 ARG 19 1HG ARG 19 9.756 -2.700 -0.756 140 HG3 ARG 19 2HG ARG 19 9.648 -4.421 -0.387 141 HD2 ARG 19 1HD ARG 19 11.737 -3.085 -2.103 142 HD3 ARG 19 2HD ARG 19 11.968 -3.710 -0.469 143 HE ARG 19 HE ARG 19 11.026 -5.659 -2.382 144 HH11 ARG 19 1HH1 ARG 19 13.826 -4.175 -0.894 145 HH12 ARG 19 2HH1 ARG 19 14.888 -5.503 -1.273 146 HH21 ARG 19 1HH2 ARG 19 12.397 -7.392 -2.881 147 HH22 ARG 19 2HH2 ARG 19 14.074 -7.334 -2.412 148 H ARG 20 H ARG 20 6.313 -2.222 -3.410 149 HA ARG 20 HA ARG 20 5.470 -4.101 -5.524 150 HB2 ARG 20 1HB ARG 20 3.734 -3.759 -3.738 151 HB3 ARG 20 2HB ARG 20 3.705 -2.054 -4.167 152 HG2 ARG 20 1HG ARG 20 1.846 -3.105 -5.197 153 HG3 ARG 20 2HG ARG 20 3.012 -2.724 -6.466 154 HD2 ARG 20 1HD ARG 20 3.493 -4.914 -6.871 155 HD3 ARG 20 2HD ARG 20 3.200 -5.397 -5.196 156 HE ARG 20 HE ARG 20 0.794 -5.214 -5.694 157 HH11 ARG 20 1HH1 ARG 20 3.042 -5.610 -8.370 158 HH12 ARG 20 2HH1 ARG 20 1.830 -6.267 -9.437 159 HH21 ARG 20 1HH2 ARG 20 -0.766 -6.058 -7.077 160 HH22 ARG 20 2HH2 ARG 20 -0.344 -6.513 -8.704 161 H GLN 21 H GLN 21 6.053 -3.299 -7.488 162 HA GLN 21 HA GLN 21 6.364 -0.399 -7.736 163 HB2 GLN 21 1HB GLN 21 7.549 -0.817 -9.814 164 HB3 GLN 21 2HB GLN 21 8.245 -1.782 -8.517 165 HG2 GLN 21 1HG GLN 21 6.987 -3.737 -9.349 166 HG3 GLN 21 2HG GLN 21 6.404 -2.751 -10.694 167 HE21 GLN 21 2HE2 GLN 21 9.142 -4.311 -9.258 168 HE22 GLN 21 1HE2 GLN 21 10.186 -4.238 -10.651 169 H VAL 22 H VAL 22 4.939 0.823 -8.740 170 HA VAL 22 HA VAL 22 2.943 -0.484 -10.470 171 HB VAL 22 HB VAL 22 2.402 1.787 -8.547 172 HG11 VAL 22 1HG1 VAL 22 1.002 1.893 -10.532 173 HG12 VAL 22 2HG1 VAL 22 0.046 1.419 -9.127 174 HG13 VAL 22 3HG1 VAL 22 0.534 0.207 -10.312 175 HG21 VAL 22 3HG2 VAL 22 2.780 -0.299 -7.356 176 HG22 VAL 22 1HG2 VAL 22 1.602 -1.114 -8.384 177 HG23 VAL 22 2HG2 VAL 22 1.079 0.162 -7.284 178 H PHE 23 H PHE 23 2.476 0.529 -12.346 179 HA PHE 23 HA PHE 23 4.239 2.708 -13.099 180 HB2 PHE 23 1HB PHE 23 2.262 1.074 -14.707 181 HB3 PHE 23 2HB PHE 23 3.302 2.324 -15.380 182 HD1 PHE 23 HD1 PHE 23 3.208 -1.036 -13.903 183 HD2 PHE 23 HD2 PHE 23 5.637 1.935 -15.743 184 HE1 PHE 23 HE1 PHE 23 4.988 -2.700 -14.234 185 HE2 PHE 23 HE2 PHE 23 7.420 0.274 -16.077 186 HZ PHE 23 HZ PHE 23 7.098 -2.047 -15.321 187 H GLY 24 H GLY 24 3.619 4.735 -13.682 188 HA2 GLY 24 1HA GLY 24 1.478 6.008 -12.525 189 HA3 GLY 24 2HA GLY 24 2.305 6.601 -13.961 190 H SER 25 H SER 25 -0.591 5.542 -12.707 191 HA SER 25 HA SER 25 -1.969 5.681 -15.201 192 HB2 SER 25 1HB SER 25 -2.817 3.331 -15.148 193 HB3 SER 25 2HB SER 25 -1.083 3.423 -15.457 194 HG SER 25 HG SER 25 -0.677 2.815 -13.357 195 H ARG 26 H ARG 26 -4.361 4.801 -14.777 196 HA ARG 26 HA ARG 26 -5.495 6.166 -12.583 197 HB2 ARG 26 1HB ARG 26 -7.568 4.934 -13.135 198 HB3 ARG 26 2HB ARG 26 -6.810 5.608 -14.571 199 HG2 ARG 26 1HG ARG 26 -6.044 3.504 -15.285 200 HG3 ARG 26 2HG ARG 26 -6.360 2.766 -13.716 201 HD2 ARG 26 1HD ARG 26 -8.030 2.089 -15.349 202 HD3 ARG 26 2HD ARG 26 -8.760 3.045 -14.062 203 HE ARG 26 HE ARG 26 -8.608 4.958 -15.704 204 HH11 ARG 26 1HH1 ARG 26 -8.867 1.622 -16.756 205 HH12 ARG 26 2HH1 ARG 26 -9.700 2.025 -18.232 206 HH21 ARG 26 1HH2 ARG 26 -9.699 5.484 -17.627 207 HH22 ARG 26 2HH2 ARG 26 -10.187 4.225 -18.723 208 H GLU 27 H GLU 27 -4.182 3.017 -12.963 209 HA GLU 27 HA GLU 27 -5.410 1.734 -10.749 210 HB2 GLU 27 1HB GLU 27 -4.471 0.552 -12.695 211 HB3 GLU 27 2HB GLU 27 -2.860 1.097 -12.246 212 HG2 GLU 27 1HG GLU 27 -2.896 -0.233 -10.261 213 HG3 GLU 27 2HG GLU 27 -4.591 -0.658 -10.523 214 H GLN 28 H GLN 28 -2.707 3.828 -11.138 215 HA GLN 28 HA GLN 28 -1.324 3.056 -8.741 216 HB2 GLN 28 1HB GLN 28 -0.237 4.013 -10.799 217 HB3 GLN 28 2HB GLN 28 -0.956 5.566 -10.376 218 HG2 GLN 28 1HG GLN 28 0.251 5.514 -8.239 219 HG3 GLN 28 2HG GLN 28 1.008 3.997 -8.724 220 HE21 GLN 28 2HE2 GLN 28 3.060 4.774 -8.694 221 HE22 GLN 28 1HE2 GLN 28 3.664 5.917 -9.853 222 H LYS 29 H LYS 29 -3.934 5.145 -9.471 223 HA LYS 29 HA LYS 29 -3.593 7.306 -7.809 224 HB2 LYS 29 1HB LYS 29 -5.509 6.705 -9.475 225 HB3 LYS 29 2HB LYS 29 -6.302 6.040 -8.056 226 HG2 LYS 29 1HG LYS 29 -5.308 8.875 -8.221 227 HG3 LYS 29 2HG LYS 29 -6.942 8.383 -8.659 228 HD2 LYS 29 1HD LYS 29 -5.708 7.897 -5.952 229 HD3 LYS 29 2HD LYS 29 -6.703 9.300 -6.342 230 HE2 LYS 29 1HE LYS 29 -8.572 7.827 -6.893 231 HE3 LYS 29 2HE LYS 29 -7.575 6.417 -6.539 232 HZ1 LYS 29 3HZ LYS 29 -9.123 7.155 -4.725 233 HZ2 LYS 29 1HZ LYS 29 -8.141 8.525 -4.534 234 HZ3 LYS 29 2HZ LYS 29 -7.503 6.979 -4.267 235 HA PRO 30 HA PRO 30 -5.686 4.924 -4.080 236 HB2 PRO 30 1HB PRO 30 -5.320 2.197 -4.172 237 HB3 PRO 30 2HB PRO 30 -6.821 3.028 -4.595 238 HG2 PRO 30 1HG PRO 30 -4.656 1.996 -6.376 239 HG3 PRO 30 2HG PRO 30 -6.415 1.948 -6.600 240 HD2 PRO 30 1HD PRO 30 -4.884 3.729 -7.892 241 HD3 PRO 30 2HD PRO 30 -6.511 4.151 -7.312 242 H PHE 31 H PHE 31 -2.831 3.669 -5.711 243 HA PHE 31 HA PHE 31 -1.406 2.914 -3.385 244 HB2 PHE 31 1HB PHE 31 -0.508 3.615 -6.184 245 HB3 PHE 31 2HB PHE 31 0.605 3.092 -4.921 246 HD1 PHE 31 HD1 PHE 31 -2.144 2.066 -7.124 247 HD2 PHE 31 HD2 PHE 31 0.712 0.807 -4.233 248 HE1 PHE 31 HE1 PHE 31 -2.577 -0.280 -7.723 249 HE2 PHE 31 HE2 PHE 31 0.283 -1.542 -4.824 250 HZ PHE 31 HZ PHE 31 -1.364 -2.088 -6.572 251 H GLU 32 H GLU 32 -1.312 5.804 -5.430 252 HA GLU 32 HA GLU 32 0.558 7.265 -3.927 253 HB2 GLU 32 1HB GLU 32 -1.711 8.236 -5.680 254 HB3 GLU 32 2HB GLU 32 -0.419 9.258 -5.067 255 HG2 GLU 32 1HG GLU 32 0.083 6.843 -6.783 256 HG3 GLU 32 2HG GLU 32 -0.184 8.456 -7.441 257 H ASP 33 H ASP 33 -2.903 6.848 -3.600 258 HA ASP 33 HA ASP 33 -3.359 8.899 -1.703 259 HB2 ASP 33 1HB ASP 33 -5.177 7.852 -2.983 260 HB3 ASP 33 2HB ASP 33 -4.883 6.323 -2.155 261 H LEU 34 H LEU 34 -2.591 5.455 -1.363 262 HA LEU 34 HA LEU 34 -2.747 5.398 1.455 263 HB2 LEU 34 1HB LEU 34 -1.170 3.648 -0.429 264 HB3 LEU 34 2HB LEU 34 -1.413 3.324 1.278 265 HG LEU 34 HG LEU 34 -3.523 3.361 -0.879 266 HD11 LEU 34 1HD1 LEU 34 -3.791 1.007 -0.277 267 HD12 LEU 34 2HD1 LEU 34 -2.472 1.156 0.885 268 HD13 LEU 34 3HD1 LEU 34 -2.155 1.353 -0.839 269 HD21 LEU 34 3HD2 LEU 34 -3.845 2.961 2.092 270 HD22 LEU 34 1HD2 LEU 34 -5.105 2.723 0.881 271 HD23 LEU 34 2HD2 LEU 34 -4.436 4.332 1.155 272 H VAL 35 H VAL 35 -0.293 6.473 -0.746 273 HA VAL 35 HA VAL 35 1.919 6.457 0.992 274 HB VAL 35 HB VAL 35 1.291 8.382 -1.256 275 HG11 VAL 35 1HG1 VAL 35 2.955 9.317 0.263 276 HG12 VAL 35 2HG1 VAL 35 3.687 8.872 -1.279 277 HG13 VAL 35 3HG1 VAL 35 3.913 7.843 0.134 278 HG21 VAL 35 3HG2 VAL 35 1.406 6.080 -2.009 279 HG22 VAL 35 1HG2 VAL 35 2.958 5.871 -1.196 280 HG23 VAL 35 2HG2 VAL 35 2.821 6.975 -2.564 281 H ASP 36 H ASP 36 -0.706 8.757 0.521 282 HA ASP 36 HA ASP 36 0.384 10.759 2.245 283 HB2 ASP 36 1HB ASP 36 -1.277 11.263 0.463 284 HB3 ASP 36 2HB ASP 36 -2.498 10.382 1.388 285 H LEU 37 H LEU 37 -1.859 8.087 2.622 286 HA LEU 37 HA LEU 37 -2.601 8.644 5.301 287 HB2 LEU 37 1HB LEU 37 -2.599 6.075 3.715 288 HB3 LEU 37 2HB LEU 37 -3.293 6.238 5.319 289 HG LEU 37 HG LEU 37 -4.217 7.760 2.880 290 HD11 LEU 37 1HD1 LEU 37 -4.697 5.382 2.693 291 HD12 LEU 37 2HD1 LEU 37 -6.176 6.300 2.975 292 HD13 LEU 37 3HD1 LEU 37 -5.435 5.392 4.293 293 HD21 LEU 37 3HD2 LEU 37 -5.412 7.535 5.643 294 HD22 LEU 37 1HD2 LEU 37 -6.106 8.406 4.276 295 HD23 LEU 37 2HD2 LEU 37 -4.590 8.954 4.993 296 H GLY 38 H GLY 38 0.239 7.423 3.880 297 HA2 GLY 38 1HA GLY 38 2.274 7.105 4.984 298 HA3 GLY 38 2HA GLY 38 1.404 7.015 6.513 299 H TRP 39 H TRP 39 0.130 5.110 3.976 300 HA TRP 39 HA TRP 39 0.902 2.690 5.406 301 HB2 TRP 39 1HB TRP 39 -0.973 3.155 3.076 302 HB3 TRP 39 2HB TRP 39 -0.683 1.583 3.818 303 HD1 TRP 39 HD1 TRP 39 -0.882 4.313 6.371 304 HE1 TRP 39 HE1 TRP 39 -3.168 4.235 7.562 305 HE3 TRP 39 HE3 TRP 39 -3.305 1.041 3.275 306 HZ2 TRP 39 HZ2 TRP 39 -5.640 2.977 7.229 307 HZ3 TRP 39 HZ3 TRP 39 -5.639 0.450 3.787 308 HH2 TRP 39 HH2 TRP 39 -6.784 1.399 5.725 309 H LEU 40 H LEU 40 1.408 4.321 2.378 310 HA LEU 40 HA LEU 40 3.365 2.257 1.628 311 HB2 LEU 40 1HB LEU 40 1.564 3.949 -0.086 312 HB3 LEU 40 2HB LEU 40 3.002 3.184 -0.735 313 HG LEU 40 HG LEU 40 0.671 1.739 0.527 314 HD11 LEU 40 1HD1 LEU 40 1.539 1.979 -2.352 315 HD12 LEU 40 2HD1 LEU 40 0.088 2.682 -1.634 316 HD13 LEU 40 3HD1 LEU 40 0.254 0.930 -1.752 317 HD21 LEU 40 3HD2 LEU 40 1.801 -0.280 -0.277 318 HD22 LEU 40 1HD2 LEU 40 2.784 0.590 0.897 319 HD23 LEU 40 2HD2 LEU 40 3.161 0.699 -0.821 320 H LYS 41 H LYS 41 5.302 2.935 0.731 321 HA LYS 41 HA LYS 41 5.923 5.799 0.968 322 HB2 LYS 41 1HB LYS 41 6.826 4.578 2.921 323 HB3 LYS 41 2HB LYS 41 7.682 3.488 1.836 324 HG2 LYS 41 1HG LYS 41 9.217 5.111 2.704 325 HG3 LYS 41 2HG LYS 41 8.971 5.412 0.979 326 HD2 LYS 41 1HD LYS 41 7.385 7.195 1.520 327 HD3 LYS 41 2HD LYS 41 7.630 6.895 3.244 328 HE2 LYS 41 1HE LYS 41 10.022 7.437 2.959 329 HE3 LYS 41 2HE LYS 41 9.711 7.818 1.266 330 HZ1 LYS 41 3HZ LYS 41 9.755 9.797 2.664 331 HZ2 LYS 41 1HZ LYS 41 8.468 9.193 3.588 332 HZ3 LYS 41 2HZ LYS 41 8.229 9.580 1.956 333 H ARG 42 H ARG 42 6.775 6.599 -0.870 334 HA ARG 42 HA ARG 42 7.403 4.740 -3.008 335 HB2 ARG 42 1HB ARG 42 7.617 7.754 -3.097 336 HB3 ARG 42 2HB ARG 42 7.462 6.643 -4.456 337 HG2 ARG 42 1HG ARG 42 5.196 6.019 -3.515 338 HG3 ARG 42 2HG ARG 42 5.371 7.405 -2.434 339 HD2 ARG 42 1HD ARG 42 5.261 7.405 -5.443 340 HD3 ARG 42 2HD ARG 42 4.106 8.120 -4.321 341 HE ARG 42 HE ARG 42 6.521 9.357 -3.815 342 HH11 ARG 42 1HH1 ARG 42 4.237 9.085 -6.454 343 HH12 ARG 42 2HH1 ARG 42 4.770 10.544 -7.238 344 HH21 ARG 42 1HH2 ARG 42 7.231 11.281 -4.840 345 HH22 ARG 42 2HH2 ARG 42 6.470 11.794 -6.319 346 H SER 43 H SER 43 9.321 3.788 -2.847 347 HA SER 43 HA SER 43 11.510 5.097 -1.497 348 HB2 SER 43 1HB SER 43 12.658 2.895 -1.898 349 HB3 SER 43 2HB SER 43 11.143 2.779 -1.003 350 HG SER 43 HG SER 43 11.818 1.766 -3.464 351 H SER 44 H SER 44 10.565 4.414 -4.762 352 HA SER 44 HA SER 44 12.593 6.077 -5.845 353 HB2 SER 44 1HB SER 44 13.988 4.104 -5.386 354 HB3 SER 44 2HB SER 44 12.880 3.096 -6.312 355 HG SER 44 HG SER 44 14.239 3.569 -7.862 356 H VAL 45 H VAL 45 11.707 6.983 -7.575 357 HA VAL 45 HA VAL 45 9.643 5.509 -9.055 358 HB VAL 45 HB VAL 45 10.373 8.427 -9.340 359 HG11 VAL 45 1HG1 VAL 45 8.141 8.589 -10.380 360 HG12 VAL 45 2HG1 VAL 45 7.977 6.838 -10.243 361 HG13 VAL 45 3HG1 VAL 45 9.234 7.530 -11.269 362 HG21 VAL 45 3HG2 VAL 45 8.417 8.932 -7.965 363 HG22 VAL 45 1HG2 VAL 45 9.606 7.993 -7.062 364 HG23 VAL 45 2HG2 VAL 45 8.160 7.209 -7.692 365 H ASP 46 H ASP 46 10.972 4.152 -10.247 366 HA ASP 46 HA ASP 46 12.921 5.422 -12.038 367 HB2 ASP 46 1HB ASP 46 13.731 3.525 -10.644 368 HB3 ASP 46 2HB ASP 46 12.544 2.479 -11.430 369 H SER 47 H SER 47 12.386 5.722 -14.091 370 HA SER 47 HA SER 47 11.195 5.710 -16.027 371 HB2 SER 47 1HB SER 47 11.920 3.302 -16.056 372 HB3 SER 47 2HB SER 47 10.425 2.881 -15.227 373 HG SER 47 HG SER 47 10.879 3.440 -17.866 374 H ARG 48 H ARG 48 8.636 4.026 -16.181 375 HA ARG 48 HA ARG 48 6.933 6.003 -14.914 376 HB2 ARG 48 1HB ARG 48 6.521 5.234 -17.235 377 HB3 ARG 48 2HB ARG 48 6.211 3.614 -16.628 378 HG2 ARG 48 1HG ARG 48 4.203 4.258 -15.611 379 HG3 ARG 48 2HG ARG 48 4.602 5.973 -15.711 380 HD2 ARG 48 1HD ARG 48 2.902 5.297 -17.361 381 HD3 ARG 48 2HD ARG 48 4.363 5.933 -18.111 382 HE ARG 48 HE ARG 48 3.687 3.057 -17.966 383 HH11 ARG 48 1HH1 ARG 48 5.155 5.800 -19.578 384 HH12 ARG 48 2HH1 ARG 48 5.651 4.885 -20.967 385 HH21 ARG 48 1HH2 ARG 48 4.298 1.861 -19.799 386 HH22 ARG 48 2HH2 ARG 48 5.140 2.638 -21.107 387 H ALA 49 H ALA 49 8.458 3.395 -13.757 388 HA ALA 49 HA ALA 49 6.165 2.320 -12.267 389 HB1 ALA 49 3HB ALA 49 7.506 0.678 -13.484 390 HB2 ALA 49 1HB ALA 49 7.588 0.409 -11.742 391 HB3 ALA 49 2HB ALA 49 8.937 1.174 -12.582 392 H THR 50 H THR 50 5.830 3.176 -10.346 393 HA THR 50 HA THR 50 8.068 4.234 -8.790 394 HB THR 50 HB THR 50 5.095 4.294 -8.219 395 HG1 THR 50 HG1 THR 50 6.455 5.621 -10.014 396 HG21 THR 50 3HG2 THR 50 6.404 4.504 -6.178 397 HG22 THR 50 1HG2 THR 50 5.695 6.063 -6.600 398 HG23 THR 50 2HG2 THR 50 7.401 5.755 -6.920 399 H HIS 51 H HIS 51 8.986 3.104 -7.179 400 HA HIS 51 HA HIS 51 7.856 0.520 -6.460 401 HB2 HIS 51 1HB HIS 51 10.471 1.848 -5.710 402 HB3 HIS 51 2HB HIS 51 9.980 0.251 -5.148 403 HD1 HIS 51 HD1 HIS 51 10.317 -1.702 -6.732 404 HD2 HIS 51 HD2 HIS 51 11.098 1.987 -8.490 405 HE1 HIS 51 HE1 HIS 51 11.380 -2.219 -8.946 406 HE2 HIS 51 HE2 HIS 51 12.040 0.021 -9.888 407 H TYR 52 H TYR 52 6.556 0.273 -4.796 408 HA TYR 52 HA TYR 52 6.569 2.278 -2.649 409 HB2 TYR 52 1HB TYR 52 4.493 0.202 -3.383 410 HB3 TYR 52 2HB TYR 52 4.355 1.343 -2.047 411 HD1 TYR 52 HD1 TYR 52 4.318 0.965 -5.696 412 HD2 TYR 52 HD2 TYR 52 3.816 3.653 -2.438 413 HE1 TYR 52 HE1 TYR 52 3.285 2.596 -7.213 414 HE2 TYR 52 HE2 TYR 52 2.783 5.296 -3.953 415 HH TYR 52 HH TYR 52 2.509 5.849 -6.177 416 H GLN 53 H GLN 53 7.156 1.766 -0.652 417 HA GLN 53 HA GLN 53 7.750 -1.053 -0.045 418 HB2 GLN 53 1HB GLN 53 9.682 0.483 0.006 419 HB3 GLN 53 2HB GLN 53 8.857 1.475 1.203 420 HG2 GLN 53 1HG GLN 53 8.886 -0.423 2.763 421 HG3 GLN 53 2HG GLN 53 9.773 -1.369 1.564 422 HE21 GLN 53 2HE2 GLN 53 9.919 1.272 3.816 423 HE22 GLN 53 1HE2 GLN 53 11.642 1.438 3.820 424 H ILE 54 H ILE 54 6.768 -2.012 1.679 425 HA ILE 54 HA ILE 54 4.488 -0.849 2.871 426 HB ILE 54 HB ILE 54 4.590 -2.760 4.474 427 HG12 ILE 54 1HG1 ILE 54 7.022 -3.573 2.865 428 HG13 ILE 54 2HG1 ILE 54 7.071 -2.956 4.512 429 HG21 ILE 54 1HG2 ILE 54 4.854 -3.443 1.553 430 HG22 ILE 54 2HG2 ILE 54 3.380 -2.945 2.386 431 HG23 ILE 54 3HG2 ILE 54 4.146 -4.481 2.789 432 HD11 ILE 54 3HD1 ILE 54 5.725 -5.493 3.619 433 HD12 ILE 54 1HD1 ILE 54 5.780 -4.876 5.272 434 HD13 ILE 54 2HD1 ILE 54 7.269 -5.372 4.464 435 H THR 55 H THR 55 4.200 0.303 4.688 436 HA THR 55 HA THR 55 6.567 0.978 6.279 437 HB THR 55 HB THR 55 5.207 2.835 7.149 438 HG1 THR 55 HG1 THR 55 3.116 3.165 6.149 439 HG21 THR 55 3HG2 THR 55 6.507 3.196 5.100 440 HG22 THR 55 1HG2 THR 55 5.013 4.133 5.078 441 HG23 THR 55 2HG2 THR 55 5.137 2.650 4.131 442 H GLU 56 H GLU 56 5.809 1.537 8.676 443 HA GLU 56 HA GLU 56 4.955 -0.841 9.931 444 HB2 GLU 56 1HB GLU 56 4.951 0.417 12.000 445 HB3 GLU 56 2HB GLU 56 6.356 0.873 11.054 446 HG2 GLU 56 1HG GLU 56 3.812 2.474 11.267 447 HG3 GLU 56 2HG GLU 56 5.290 2.781 12.174 448 H ARG 57 H ARG 57 3.303 2.139 9.029 449 HA ARG 57 HA ARG 57 0.784 1.471 10.149 450 HB2 ARG 57 1HB ARG 57 1.476 3.306 7.848 451 HB3 ARG 57 2HB ARG 57 -0.098 3.227 8.636 452 HG2 ARG 57 1HG ARG 57 0.826 4.036 10.693 453 HG3 ARG 57 2HG ARG 57 2.465 3.948 10.041 454 HD2 ARG 57 1HD ARG 57 1.909 5.641 8.382 455 HD3 ARG 57 2HD ARG 57 0.253 5.710 8.990 456 HE ARG 57 HE ARG 57 1.107 6.674 11.023 457 HH11 ARG 57 1HH1 ARG 57 3.408 6.449 8.397 458 HH12 ARG 57 2HH1 ARG 57 4.402 7.750 8.975 459 HH21 ARG 57 1HH2 ARG 57 2.393 8.373 11.805 460 HH22 ARG 57 2HH2 ARG 57 3.824 8.852 10.934 461 H GLY 58 H GLY 58 2.208 1.047 6.939 462 HA2 GLY 58 1HA GLY 58 -0.071 -0.071 5.700 463 HA3 GLY 58 2HA GLY 58 1.596 -0.286 5.167 464 H THR 59 H THR 59 2.433 -1.493 7.697 465 HA THR 59 HA THR 59 1.662 -4.195 7.194 466 HB THR 59 HB THR 59 3.178 -3.077 9.562 467 HG1 THR 59 HG1 THR 59 4.324 -2.591 7.702 468 HG21 THR 59 3HG2 THR 59 2.309 -5.347 9.930 469 HG22 THR 59 1HG2 THR 59 4.067 -5.345 9.787 470 HG23 THR 59 2HG2 THR 59 3.073 -5.878 8.432 471 H SER 60 H SER 60 0.966 -1.845 9.746 472 HA SER 60 HA SER 60 -0.623 -3.553 11.336 473 HB2 SER 60 1HB SER 60 0.439 -1.362 12.042 474 HB3 SER 60 2HB SER 60 -0.853 -0.540 11.162 475 HG SER 60 HG SER 60 -0.898 -1.826 13.596 476 H ALA 61 H ALA 61 -1.400 -1.299 8.719 477 HA ALA 61 HA ALA 61 -4.201 -1.425 8.933 478 HB1 ALA 61 3HB ALA 61 -4.235 -0.538 6.660 479 HB2 ALA 61 1HB ALA 61 -2.521 -0.912 6.483 480 HB3 ALA 61 2HB ALA 61 -3.044 0.299 7.655 481 H ALA 62 H ALA 62 -1.917 -3.337 7.016 482 HA ALA 62 HA ALA 62 -3.872 -4.868 5.663 483 HB1 ALA 62 3HB ALA 62 -1.564 -4.659 4.863 484 HB2 ALA 62 1HB ALA 62 -2.041 -6.347 5.052 485 HB3 ALA 62 2HB ALA 62 -1.004 -5.583 6.257 486 H LEU 63 H LEU 63 -2.074 -5.347 8.659 487 HA LEU 63 HA LEU 63 -2.984 -7.935 9.257 488 HB2 LEU 63 1HB LEU 63 -1.122 -6.814 10.418 489 HB3 LEU 63 2HB LEU 63 -2.257 -5.693 11.150 490 HG LEU 63 HG LEU 63 -3.315 -7.578 12.349 491 HD11 LEU 63 1HD1 LEU 63 -2.774 -9.368 10.790 492 HD12 LEU 63 2HD1 LEU 63 -2.187 -9.746 12.411 493 HD13 LEU 63 3HD1 LEU 63 -1.061 -9.196 11.170 494 HD21 LEU 63 3HD2 LEU 63 -0.337 -7.324 12.758 495 HD22 LEU 63 1HD2 LEU 63 -1.493 -7.941 13.940 496 HD23 LEU 63 2HD2 LEU 63 -1.572 -6.256 13.423 497 H ARG 64 H ARG 64 -4.369 -4.759 9.812 498 HA ARG 64 HA ARG 64 -6.565 -5.649 11.389 499 HB2 ARG 64 1HB ARG 64 -5.712 -3.317 11.401 500 HB3 ARG 64 2HB ARG 64 -6.297 -3.116 9.755 501 HG2 ARG 64 1HG ARG 64 -8.594 -3.562 10.565 502 HG3 ARG 64 2HG ARG 64 -7.963 -3.616 12.212 503 HD2 ARG 64 1HD ARG 64 -7.871 -1.268 10.321 504 HD3 ARG 64 2HD ARG 64 -8.896 -1.431 11.746 505 HE ARG 64 HE ARG 64 -6.200 -1.706 12.508 506 HH11 ARG 64 1HH1 ARG 64 -8.464 0.725 11.396 507 HH12 ARG 64 2HH1 ARG 64 -7.634 2.038 12.173 508 HH21 ARG 64 1HH2 ARG 64 -5.076 0.030 13.502 509 HH22 ARG 64 2HH2 ARG 64 -5.691 1.654 13.341 510 H SER 65 H SER 65 -6.529 -4.321 8.078 511 HA SER 65 HA SER 65 -7.993 -4.481 6.358 512 HB2 SER 65 1HB SER 65 -7.960 -7.360 7.273 513 HB3 SER 65 2HB SER 65 -8.687 -6.820 5.759 514 HG SER 65 HG SER 65 -5.962 -6.559 6.534 Start of MODEL 9 1 H1 MET 1 1H MET 1 -8.132 7.829 2.774 2 H2 MET 1 2H MET 1 -8.893 9.296 3.132 3 H3 MET 1 3H MET 1 -9.329 8.432 1.739 4 HA MET 1 HA MET 1 -9.792 7.664 4.561 5 HB2 MET 1 1HB MET 1 -11.388 9.289 3.605 6 HB3 MET 1 2HB MET 1 -11.710 8.180 2.274 7 HG2 MET 1 1HG MET 1 -12.634 6.556 3.819 8 HG3 MET 1 2HG MET 1 -12.255 7.614 5.182 9 HE1 MET 1 3HE MET 1 -13.403 9.988 5.564 10 HE2 MET 1 1HE MET 1 -14.613 10.672 4.479 11 HE3 MET 1 2HE MET 1 -12.951 10.470 3.929 12 H ALA 2 H ALA 2 -9.032 5.657 4.710 13 HA ALA 2 HA ALA 2 -8.957 3.863 2.488 14 HB1 ALA 2 3HB ALA 2 -7.941 2.296 4.034 15 HB2 ALA 2 1HB ALA 2 -8.391 3.322 5.397 16 HB3 ALA 2 2HB ALA 2 -7.216 3.894 4.212 17 H THR 3 H THR 3 -10.405 2.465 1.847 18 HA THR 3 HA THR 3 -12.516 1.633 3.731 19 HB THR 3 HB THR 3 -13.344 2.878 1.744 20 HG1 THR 3 HG1 THR 3 -15.017 1.633 2.054 21 HG21 THR 3 3HG2 THR 3 -12.241 0.547 0.173 22 HG22 THR 3 1HG2 THR 3 -11.633 2.201 0.132 23 HG23 THR 3 2HG2 THR 3 -13.250 1.841 -0.472 24 H ALA 4 H ALA 4 -13.424 -0.652 2.757 25 HA ALA 4 HA ALA 4 -11.555 -2.551 3.552 26 HB1 ALA 4 3HB ALA 4 -13.958 -3.008 1.788 27 HB2 ALA 4 1HB ALA 4 -13.978 -2.930 3.550 28 HB3 ALA 4 2HB ALA 4 -13.107 -4.230 2.735 29 H ASP 5 H ASP 5 -12.240 -1.307 0.346 30 HA ASP 5 HA ASP 5 -10.844 -3.327 -1.078 31 HB2 ASP 5 1HB ASP 5 -12.561 -1.708 -2.030 32 HB3 ASP 5 2HB ASP 5 -11.272 -0.502 -2.047 33 H ASP 6 H ASP 6 -9.865 -0.321 0.429 34 HA ASP 6 HA ASP 6 -7.283 -0.179 -0.770 35 HB2 ASP 6 1HB ASP 6 -8.337 1.018 1.803 36 HB3 ASP 6 2HB ASP 6 -6.753 1.382 1.117 37 H PHE 7 H PHE 7 -8.582 -1.621 2.153 38 HA PHE 7 HA PHE 7 -6.196 -2.431 3.327 39 HB2 PHE 7 1HB PHE 7 -9.003 -3.499 3.453 40 HB3 PHE 7 2HB PHE 7 -7.687 -4.255 4.349 41 HD1 PHE 7 HD1 PHE 7 -6.453 -2.906 6.062 42 HD2 PHE 7 HD2 PHE 7 -10.038 -1.535 4.226 43 HE1 PHE 7 HE1 PHE 7 -6.754 -1.273 7.875 44 HE2 PHE 7 HE2 PHE 7 -10.344 0.103 6.037 45 HZ PHE 7 HZ PHE 7 -8.699 0.235 7.866 46 H LYS 8 H LYS 8 -8.182 -3.954 0.852 47 HA LYS 8 HA LYS 8 -6.822 -6.389 0.603 48 HB2 LYS 8 1HB LYS 8 -7.870 -4.798 -1.736 49 HB3 LYS 8 2HB LYS 8 -7.710 -6.540 -1.612 50 HG2 LYS 8 1HG LYS 8 -9.544 -6.665 -0.083 51 HG3 LYS 8 2HG LYS 8 -9.625 -4.899 0.031 52 HD2 LYS 8 1HD LYS 8 -10.045 -4.858 -2.443 53 HD3 LYS 8 2HD LYS 8 -10.193 -6.614 -2.383 54 HE2 LYS 8 1HE LYS 8 -12.095 -6.462 -0.930 55 HE3 LYS 8 2HE LYS 8 -11.883 -4.718 -0.763 56 HZ1 LYS 8 3HZ LYS 8 -12.336 -4.477 -3.134 57 HZ2 LYS 8 1HZ LYS 8 -13.635 -5.233 -2.346 58 HZ3 LYS 8 2HZ LYS 8 -12.559 -6.152 -3.276 59 H LEU 9 H LEU 9 -6.295 -3.268 -0.942 60 HA LEU 9 HA LEU 9 -4.218 -4.086 -2.659 61 HB2 LEU 9 1HB LEU 9 -5.700 -2.067 -2.911 62 HB3 LEU 9 2HB LEU 9 -4.764 -1.297 -1.642 63 HG LEU 9 HG LEU 9 -3.436 -2.281 -4.159 64 HD11 LEU 9 1HD1 LEU 9 -4.734 0.402 -3.714 65 HD12 LEU 9 2HD1 LEU 9 -5.260 -0.830 -4.861 66 HD13 LEU 9 3HD1 LEU 9 -3.703 -0.028 -5.077 67 HD21 LEU 9 3HD2 LEU 9 -2.771 -0.082 -2.201 68 HD22 LEU 9 1HD2 LEU 9 -1.818 -0.535 -3.616 69 HD23 LEU 9 2HD2 LEU 9 -1.999 -1.667 -2.275 70 H ILE 10 H ILE 10 -4.167 -2.443 0.505 71 HA ILE 10 HA ILE 10 -1.355 -2.122 0.518 72 HB ILE 10 HB ILE 10 -2.845 -0.758 1.932 73 HG12 ILE 10 1HG1 ILE 10 -1.427 -0.812 3.975 74 HG13 ILE 10 2HG1 ILE 10 -0.732 -2.331 3.417 75 HG21 ILE 10 1HG2 ILE 10 -4.406 -2.493 2.644 76 HG22 ILE 10 2HG2 ILE 10 -3.726 -1.632 4.025 77 HG23 ILE 10 3HG2 ILE 10 -3.135 -3.243 3.612 78 HD11 ILE 10 3HD1 ILE 10 0.743 -0.479 2.930 79 HD12 ILE 10 1HD1 ILE 10 -0.538 0.329 2.025 80 HD13 ILE 10 2HD1 ILE 10 0.135 -1.191 1.434 81 H ARG 11 H ARG 11 -3.452 -4.741 1.573 82 HA ARG 11 HA ARG 11 -1.375 -6.211 2.868 83 HB2 ARG 11 1HB ARG 11 -3.792 -6.610 3.300 84 HB3 ARG 11 2HB ARG 11 -3.942 -7.275 1.678 85 HG2 ARG 11 1HG ARG 11 -2.337 -9.027 2.251 86 HG3 ARG 11 2HG ARG 11 -2.204 -8.366 3.881 87 HD2 ARG 11 1HD ARG 11 -4.583 -8.798 4.244 88 HD3 ARG 11 2HD ARG 11 -4.712 -9.457 2.613 89 HE ARG 11 HE ARG 11 -2.866 -10.671 4.560 90 HH11 ARG 11 1HH1 ARG 11 -5.654 -10.890 2.448 91 HH12 ARG 11 2HH1 ARG 11 -5.805 -12.617 2.614 92 HH21 ARG 11 1HH2 ARG 11 -3.044 -12.939 4.770 93 HH22 ARG 11 2HH2 ARG 11 -4.313 -13.786 3.940 94 H ASP 12 H ASP 12 -2.656 -6.047 -0.392 95 HA ASP 12 HA ASP 12 -1.365 -8.217 -1.573 96 HB2 ASP 12 1HB ASP 12 -3.038 -6.933 -2.783 97 HB3 ASP 12 2HB ASP 12 -2.015 -5.497 -2.735 98 H ILE 13 H ILE 13 -0.211 -4.974 -0.877 99 HA ILE 13 HA ILE 13 2.229 -4.987 -2.185 100 HB ILE 13 HB ILE 13 1.907 -3.814 0.571 101 HG12 ILE 13 1HG1 ILE 13 -0.103 -3.219 -0.737 102 HG13 ILE 13 2HG1 ILE 13 0.909 -1.820 -0.427 103 HG21 ILE 13 1HG2 ILE 13 3.454 -2.941 -1.866 104 HG22 ILE 13 2HG2 ILE 13 4.120 -3.670 -0.405 105 HG23 ILE 13 3HG2 ILE 13 3.388 -2.068 -0.335 106 HD11 ILE 13 3HD1 ILE 13 0.028 -1.808 -2.686 107 HD12 ILE 13 1HD1 ILE 13 0.791 -3.366 -2.999 108 HD13 ILE 13 2HD1 ILE 13 1.787 -1.943 -2.690 109 H HIS 14 H HIS 14 1.303 -6.317 0.929 110 HA HIS 14 HA HIS 14 3.907 -7.120 1.738 111 HB2 HIS 14 1HB HIS 14 1.164 -8.054 2.606 112 HB3 HIS 14 2HB HIS 14 2.666 -8.552 3.376 113 HD1 HIS 14 HD1 HIS 14 3.908 -6.771 4.803 114 HD2 HIS 14 HD2 HIS 14 0.251 -5.542 3.264 115 HE1 HIS 14 HE1 HIS 14 3.338 -4.639 6.023 116 HE2 HIS 14 HE2 HIS 14 1.037 -4.015 5.199 117 H SER 15 H SER 15 1.165 -8.803 0.274 118 HA SER 15 HA SER 15 2.329 -11.358 0.225 119 HB2 SER 15 1HB SER 15 -0.117 -10.835 -0.027 120 HB3 SER 15 2HB SER 15 0.223 -10.299 -1.672 121 HG SER 15 HG SER 15 -0.471 -12.612 -1.212 122 H THR 16 H THR 16 2.553 -8.647 -1.975 123 HA THR 16 HA THR 16 3.708 -10.096 -4.140 124 HB THR 16 HB THR 16 3.848 -7.128 -3.544 125 HG1 THR 16 HG1 THR 16 1.716 -7.547 -3.811 126 HG21 THR 16 3HG2 THR 16 4.218 -6.880 -5.959 127 HG22 THR 16 1HG2 THR 16 4.236 -8.634 -6.138 128 HG23 THR 16 2HG2 THR 16 5.503 -7.830 -5.213 129 H GLY 17 H GLY 17 4.944 -8.926 -1.153 130 HA2 GLY 17 1HA GLY 17 7.111 -10.103 -0.646 131 HA3 GLY 17 2HA GLY 17 7.697 -9.373 -2.135 132 H GLY 18 H GLY 18 5.600 -7.470 -0.164 133 HA2 GLY 18 1HA GLY 18 6.151 -6.026 1.633 134 HA3 GLY 18 2HA GLY 18 7.857 -6.256 1.258 135 H ARG 19 H ARG 19 7.485 -5.792 -1.591 136 HA ARG 19 HA ARG 19 6.756 -2.951 -1.588 137 HB2 ARG 19 1HB ARG 19 8.674 -2.486 -3.077 138 HB3 ARG 19 2HB ARG 19 9.171 -3.039 -1.481 139 HG2 ARG 19 1HG ARG 19 9.466 -5.323 -2.462 140 HG3 ARG 19 2HG ARG 19 9.184 -4.606 -4.050 141 HD2 ARG 19 1HD ARG 19 11.570 -4.786 -3.609 142 HD3 ARG 19 2HD ARG 19 11.083 -3.092 -3.694 143 HE ARG 19 HE ARG 19 11.257 -4.375 -1.061 144 HH11 ARG 19 1HH1 ARG 19 12.582 -2.103 -3.392 145 HH12 ARG 19 2HH1 ARG 19 13.558 -1.281 -2.218 146 HH21 ARG 19 1HH2 ARG 19 12.561 -3.296 0.473 147 HH22 ARG 19 2HH2 ARG 19 13.533 -1.939 -0.022 148 H ARG 20 H ARG 20 5.775 -2.190 -3.381 149 HA ARG 20 HA ARG 20 5.150 -4.140 -5.503 150 HB2 ARG 20 1HB ARG 20 3.239 -3.867 -3.983 151 HB3 ARG 20 2HB ARG 20 3.301 -2.122 -4.208 152 HG2 ARG 20 1HG ARG 20 1.526 -2.973 -5.535 153 HG3 ARG 20 2HG ARG 20 2.827 -2.489 -6.624 154 HD2 ARG 20 1HD ARG 20 3.558 -4.821 -6.773 155 HD3 ARG 20 2HD ARG 20 2.238 -5.297 -5.700 156 HE ARG 20 HE ARG 20 1.598 -3.924 -8.212 157 HH11 ARG 20 1HH1 ARG 20 1.553 -6.828 -6.253 158 HH12 ARG 20 2HH1 ARG 20 0.454 -7.667 -7.302 159 HH21 ARG 20 1HH2 ARG 20 0.123 -5.006 -9.565 160 HH22 ARG 20 2HH2 ARG 20 -0.368 -6.625 -9.183 161 H GLN 21 H GLN 21 5.804 -3.430 -7.444 162 HA GLN 21 HA GLN 21 6.316 -0.565 -7.764 163 HB2 GLN 21 1HB GLN 21 7.597 -1.147 -9.730 164 HB3 GLN 21 2HB GLN 21 8.110 -2.153 -8.378 165 HG2 GLN 21 1HG GLN 21 6.854 -4.023 -9.240 166 HG3 GLN 21 2HG GLN 21 6.217 -3.025 -10.551 167 HE21 GLN 21 2HE2 GLN 21 7.059 -4.301 -12.156 168 HE22 GLN 21 1HE2 GLN 21 8.771 -4.371 -12.495 169 H VAL 22 H VAL 22 5.111 0.724 -8.986 170 HA VAL 22 HA VAL 22 3.105 -0.523 -10.750 171 HB VAL 22 HB VAL 22 2.798 2.122 -9.322 172 HG11 VAL 22 1HG1 VAL 22 1.550 1.912 -11.421 173 HG12 VAL 22 2HG1 VAL 22 0.471 1.967 -10.027 174 HG13 VAL 22 3HG1 VAL 22 0.802 0.429 -10.826 175 HG21 VAL 22 3HG2 VAL 22 1.582 -0.548 -8.620 176 HG22 VAL 22 1HG2 VAL 22 1.203 0.993 -7.851 177 HG23 VAL 22 2HG2 VAL 22 2.820 0.304 -7.695 178 H PHE 23 H PHE 23 3.572 -0.154 -12.816 179 HA PHE 23 HA PHE 23 5.191 2.190 -13.500 180 HB2 PHE 23 1HB PHE 23 5.479 1.090 -15.712 181 HB3 PHE 23 2HB PHE 23 6.052 0.111 -14.370 182 HD1 PHE 23 HD2 PHE 23 3.333 0.512 -16.834 183 HD2 PHE 23 HD1 PHE 23 5.143 -2.024 -13.936 184 HE1 PHE 23 HE2 PHE 23 1.966 -1.370 -17.633 185 HE2 PHE 23 HE1 PHE 23 3.782 -3.913 -14.734 186 HZ PHE 23 HZ PHE 23 2.189 -3.586 -16.582 187 H GLY 24 H GLY 24 2.029 1.482 -13.223 188 HA2 GLY 24 1HA GLY 24 1.197 3.060 -15.560 189 HA3 GLY 24 2HA GLY 24 0.136 2.073 -14.557 190 H SER 25 H SER 25 -0.748 4.543 -15.075 191 HA SER 25 HA SER 25 0.029 6.193 -12.770 192 HB2 SER 25 1HB SER 25 0.252 7.244 -15.005 193 HB3 SER 25 2HB SER 25 -1.476 7.014 -15.264 194 HG SER 25 HG SER 25 -0.779 8.320 -12.909 195 H ARG 26 H ARG 26 -2.917 5.235 -14.601 196 HA ARG 26 HA ARG 26 -4.663 6.125 -12.534 197 HB2 ARG 26 1HB ARG 26 -6.430 4.878 -13.706 198 HB3 ARG 26 2HB ARG 26 -5.503 5.894 -14.799 199 HG2 ARG 26 1HG ARG 26 -4.872 4.157 -16.038 200 HG3 ARG 26 2HG ARG 26 -4.454 3.190 -14.621 201 HD2 ARG 26 1HD ARG 26 -7.311 3.656 -15.412 202 HD3 ARG 26 2HD ARG 26 -6.358 2.361 -16.136 203 HE ARG 26 HE ARG 26 -6.038 1.497 -13.834 204 HH11 ARG 26 1HH1 ARG 26 -8.755 3.630 -14.477 205 HH12 ARG 26 2HH1 ARG 26 -9.726 2.974 -13.200 206 HH21 ARG 26 1HH2 ARG 26 -7.319 0.650 -12.160 207 HH22 ARG 26 2HH2 ARG 26 -8.902 1.306 -11.860 208 H GLU 27 H GLU 27 -2.976 3.182 -13.176 209 HA GLU 27 HA GLU 27 -4.262 1.516 -11.278 210 HB2 GLU 27 1HB GLU 27 -1.379 1.402 -12.194 211 HB3 GLU 27 2HB GLU 27 -2.346 0.078 -11.557 212 HG2 GLU 27 1HG GLU 27 -2.996 1.501 -14.120 213 HG3 GLU 27 2HG GLU 27 -1.961 0.072 -14.036 214 H GLN 28 H GLN 28 -1.839 3.968 -11.156 215 HA GLN 28 HA GLN 28 -0.649 3.140 -8.666 216 HB2 GLN 28 1HB GLN 28 0.488 4.236 -10.686 217 HB3 GLN 28 2HB GLN 28 -0.217 5.743 -10.108 218 HG2 GLN 28 1HG GLN 28 0.993 5.559 -8.035 219 HG3 GLN 28 2HG GLN 28 1.626 3.983 -8.512 220 HE21 GLN 28 2HE2 GLN 28 3.163 3.868 -10.175 221 HE22 GLN 28 1HE2 GLN 28 4.105 5.249 -10.628 222 H LYS 29 H LYS 29 -3.219 5.207 -9.622 223 HA LYS 29 HA LYS 29 -3.059 7.312 -7.864 224 HB2 LYS 29 1HB LYS 29 -4.680 7.124 -9.718 225 HB3 LYS 29 2HB LYS 29 -5.610 5.977 -8.762 226 HG2 LYS 29 1HG LYS 29 -6.110 7.647 -7.124 227 HG3 LYS 29 2HG LYS 29 -5.019 8.797 -7.901 228 HD2 LYS 29 1HD LYS 29 -6.442 8.780 -9.899 229 HD3 LYS 29 2HD LYS 29 -7.536 7.647 -9.102 230 HE2 LYS 29 1HE LYS 29 -8.378 9.936 -8.972 231 HE3 LYS 29 2HE LYS 29 -8.007 9.296 -7.372 232 HZ1 LYS 29 3HZ LYS 29 -7.245 11.589 -7.681 233 HZ2 LYS 29 1HZ LYS 29 -6.226 11.089 -8.941 234 HZ3 LYS 29 2HZ LYS 29 -5.956 10.536 -7.356 235 HA PRO 30 HA PRO 30 -5.611 4.844 -4.493 236 HB2 PRO 30 1HB PRO 30 -5.212 2.124 -4.601 237 HB3 PRO 30 2HB PRO 30 -6.652 2.951 -5.207 238 HG2 PRO 30 1HG PRO 30 -4.243 1.995 -6.699 239 HG3 PRO 30 2HG PRO 30 -5.954 1.907 -7.158 240 HD2 PRO 30 1HD PRO 30 -4.323 3.753 -8.208 241 HD3 PRO 30 2HD PRO 30 -6.018 4.131 -7.823 242 H PHE 31 H PHE 31 -2.576 3.657 -5.810 243 HA PHE 31 HA PHE 31 -1.395 2.920 -3.338 244 HB2 PHE 31 1HB PHE 31 -0.194 3.669 -6.014 245 HB3 PHE 31 2HB PHE 31 0.757 3.103 -4.642 246 HD1 PHE 31 HD1 PHE 31 -1.952 2.138 -6.974 247 HD2 PHE 31 HD2 PHE 31 1.009 0.817 -4.222 248 HE1 PHE 31 HE1 PHE 31 -2.328 -0.184 -7.692 249 HE2 PHE 31 HE2 PHE 31 0.636 -1.508 -4.933 250 HZ PHE 31 HZ PHE 31 -1.033 -2.011 -6.670 251 H GLU 32 H GLU 32 -1.355 5.830 -5.321 252 HA GLU 32 HA GLU 32 0.404 7.364 -3.741 253 HB2 GLU 32 1HB GLU 32 -1.868 8.290 -5.509 254 HB3 GLU 32 2HB GLU 32 -0.554 9.299 -4.919 255 HG2 GLU 32 1HG GLU 32 1.047 8.046 -6.206 256 HG3 GLU 32 2HG GLU 32 -0.206 6.911 -6.715 257 H ASP 33 H ASP 33 -3.026 6.737 -3.549 258 HA ASP 33 HA ASP 33 -3.629 8.789 -1.673 259 HB2 ASP 33 1HB ASP 33 -5.339 7.771 -3.121 260 HB3 ASP 33 2HB ASP 33 -5.129 6.233 -2.283 261 H LEU 34 H LEU 34 -2.624 5.428 -1.396 262 HA LEU 34 HA LEU 34 -2.963 5.288 1.428 263 HB2 LEU 34 1HB LEU 34 -1.240 3.655 -0.433 264 HB3 LEU 34 2HB LEU 34 -1.481 3.303 1.270 265 HG LEU 34 HG LEU 34 -3.580 3.239 -0.900 266 HD11 LEU 34 1HD1 LEU 34 -3.698 0.859 -0.333 267 HD12 LEU 34 2HD1 LEU 34 -2.370 1.071 0.807 268 HD13 LEU 34 3HD1 LEU 34 -2.100 1.321 -0.918 269 HD21 LEU 34 3HD2 LEU 34 -4.546 4.103 1.159 270 HD22 LEU 34 1HD2 LEU 34 -3.870 2.746 2.060 271 HD23 LEU 34 2HD2 LEU 34 -5.113 2.463 0.842 272 H VAL 35 H VAL 35 -0.435 6.431 -0.689 273 HA VAL 35 HA VAL 35 1.620 6.706 1.229 274 HB VAL 35 HB VAL 35 1.067 8.458 -1.177 275 HG11 VAL 35 1HG1 VAL 35 3.439 9.046 -1.051 276 HG12 VAL 35 2HG1 VAL 35 3.601 8.087 0.420 277 HG13 VAL 35 3HG1 VAL 35 2.581 9.526 0.413 278 HG21 VAL 35 3HG2 VAL 35 2.734 7.058 -2.311 279 HG22 VAL 35 1HG2 VAL 35 1.322 6.129 -1.807 280 HG23 VAL 35 2HG2 VAL 35 2.823 6.025 -0.884 281 H ASP 36 H ASP 36 -1.097 8.727 0.311 282 HA ASP 36 HA ASP 36 -0.555 10.982 1.883 283 HB2 ASP 36 1HB ASP 36 -2.300 10.922 0.147 284 HB3 ASP 36 2HB ASP 36 -3.242 9.800 1.130 285 H LEU 37 H LEU 37 -2.055 7.907 2.649 286 HA LEU 37 HA LEU 37 -2.768 8.626 5.335 287 HB2 LEU 37 1HB LEU 37 -2.506 5.907 4.046 288 HB3 LEU 37 2HB LEU 37 -3.282 6.248 5.581 289 HG LEU 37 HG LEU 37 -4.230 7.165 2.870 290 HD11 LEU 37 1HD1 LEU 37 -5.325 5.133 4.805 291 HD12 LEU 37 2HD1 LEU 37 -4.578 4.795 3.244 292 HD13 LEU 37 3HD1 LEU 37 -6.114 5.659 3.319 293 HD21 LEU 37 3HD2 LEU 37 -5.464 7.560 5.593 294 HD22 LEU 37 1HD2 LEU 37 -6.190 8.008 4.049 295 HD23 LEU 37 2HD2 LEU 37 -4.724 8.817 4.602 296 H GLY 38 H GLY 38 0.020 7.405 3.721 297 HA2 GLY 38 1HA GLY 38 2.174 7.233 4.642 298 HA3 GLY 38 2HA GLY 38 1.459 7.240 6.252 299 H TRP 39 H TRP 39 -0.002 5.155 3.953 300 HA TRP 39 HA TRP 39 0.943 2.826 5.428 301 HB2 TRP 39 1HB TRP 39 -1.099 3.173 3.225 302 HB3 TRP 39 2HB TRP 39 -0.664 1.606 3.904 303 HD1 TRP 39 HD1 TRP 39 -0.746 4.139 6.611 304 HE1 TRP 39 HE1 TRP 39 -2.942 3.946 7.950 305 HE3 TRP 39 HE3 TRP 39 -3.372 1.106 3.439 306 HZ2 TRP 39 HZ2 TRP 39 -5.428 2.694 7.691 307 HZ3 TRP 39 HZ3 TRP 39 -5.660 0.458 4.063 308 HH2 TRP 39 HH2 TRP 39 -6.670 1.236 6.144 309 H LEU 40 H LEU 40 1.195 4.315 2.291 310 HA LEU 40 HA LEU 40 3.236 2.335 1.541 311 HB2 LEU 40 1HB LEU 40 1.296 3.899 -0.143 312 HB3 LEU 40 2HB LEU 40 2.756 3.209 -0.827 313 HG LEU 40 HG LEU 40 0.552 1.653 0.523 314 HD11 LEU 40 1HD1 LEU 40 0.077 0.814 -1.715 315 HD12 LEU 40 2HD1 LEU 40 1.326 1.864 -2.384 316 HD13 LEU 40 3HD1 LEU 40 -0.113 2.566 -1.646 317 HD21 LEU 40 3HD2 LEU 40 2.709 0.604 0.850 318 HD22 LEU 40 1HD2 LEU 40 3.080 0.771 -0.867 319 HD23 LEU 40 2HD2 LEU 40 1.783 -0.302 -0.345 320 H LYS 41 H LYS 41 5.150 3.101 0.638 321 HA LYS 41 HA LYS 41 5.486 6.008 0.577 322 HB2 LYS 41 1HB LYS 41 6.360 5.168 2.741 323 HB3 LYS 41 2HB LYS 41 7.456 4.104 1.859 324 HG2 LYS 41 1HG LYS 41 8.637 5.975 0.945 325 HG3 LYS 41 2HG LYS 41 7.455 7.105 1.615 326 HD2 LYS 41 1HD LYS 41 9.439 7.101 2.989 327 HD3 LYS 41 2HD LYS 41 8.099 6.380 3.884 328 HE2 LYS 41 1HE LYS 41 8.949 4.141 3.284 329 HE3 LYS 41 2HE LYS 41 10.320 4.903 2.477 330 HZ1 LYS 41 3HZ LYS 41 10.903 5.926 4.626 331 HZ2 LYS 41 1HZ LYS 41 10.969 4.235 4.671 332 HZ3 LYS 41 2HZ LYS 41 9.655 5.052 5.366 333 H ARG 42 H ARG 42 6.600 6.732 -1.110 334 HA ARG 42 HA ARG 42 7.329 4.929 -3.210 335 HB2 ARG 42 1HB ARG 42 7.979 7.875 -2.979 336 HB3 ARG 42 2HB ARG 42 7.896 6.915 -4.453 337 HG2 ARG 42 1HG ARG 42 5.555 6.789 -4.369 338 HG3 ARG 42 2HG ARG 42 5.505 7.328 -2.686 339 HD2 ARG 42 1HD ARG 42 6.290 8.969 -5.094 340 HD3 ARG 42 2HD ARG 42 4.821 9.138 -4.131 341 HE ARG 42 HE ARG 42 7.546 9.697 -3.116 342 HH11 ARG 42 1HH1 ARG 42 4.099 10.362 -3.200 343 HH12 ARG 42 2HH1 ARG 42 4.206 11.679 -2.063 344 HH21 ARG 42 1HH2 ARG 42 7.678 11.404 -1.633 345 HH22 ARG 42 2HH2 ARG 42 6.245 12.274 -1.173 346 H SER 43 H SER 43 9.121 3.690 -2.883 347 HA SER 43 HA SER 43 11.329 4.693 -1.332 348 HB2 SER 43 1HB SER 43 12.349 2.454 -1.906 349 HB3 SER 43 2HB SER 43 10.798 2.365 -1.073 350 HG SER 43 HG SER 43 11.493 1.438 -3.513 351 H SER 44 H SER 44 10.562 4.074 -4.694 352 HA SER 44 HA SER 44 12.320 6.044 -5.644 353 HB2 SER 44 1HB SER 44 13.982 4.651 -6.783 354 HB3 SER 44 2HB SER 44 14.040 4.393 -5.039 355 HG SER 44 HG SER 44 13.643 2.598 -6.981 356 H VAL 45 H VAL 45 12.079 6.420 -7.852 357 HA VAL 45 HA VAL 45 10.068 4.754 -9.219 358 HB VAL 45 HB VAL 45 11.033 7.514 -10.004 359 HG11 VAL 45 1HG1 VAL 45 9.074 7.521 -11.475 360 HG12 VAL 45 2HG1 VAL 45 8.691 5.876 -10.968 361 HG13 VAL 45 3HG1 VAL 45 10.174 6.199 -11.866 362 HG21 VAL 45 3HG2 VAL 45 9.855 7.594 -7.861 363 HG22 VAL 45 1HG2 VAL 45 8.490 6.739 -8.577 364 HG23 VAL 45 2HG2 VAL 45 8.911 8.356 -9.141 365 H ASP 46 H ASP 46 11.198 3.141 -10.182 366 HA ASP 46 HA ASP 46 13.612 3.903 -11.690 367 HB2 ASP 46 1HB ASP 46 12.992 1.294 -10.288 368 HB3 ASP 46 2HB ASP 46 14.378 1.544 -11.351 369 H SER 47 H SER 47 13.602 3.590 -13.773 370 HA SER 47 HA SER 47 12.731 3.295 -15.846 371 HB2 SER 47 1HB SER 47 12.314 0.876 -16.431 372 HB3 SER 47 2HB SER 47 13.874 1.206 -15.681 373 HG SER 47 HG SER 47 11.878 0.603 -13.886 374 H ARG 48 H ARG 48 10.939 4.648 -14.827 375 HA ARG 48 HA ARG 48 8.812 5.345 -14.924 376 HB2 ARG 48 1HB ARG 48 7.413 4.640 -16.621 377 HB3 ARG 48 2HB ARG 48 8.994 4.172 -17.222 378 HG2 ARG 48 1HG ARG 48 8.581 1.871 -16.500 379 HG3 ARG 48 2HG ARG 48 6.990 2.349 -15.908 380 HD2 ARG 48 1HD ARG 48 6.274 2.909 -18.132 381 HD3 ARG 48 2HD ARG 48 7.896 2.629 -18.768 382 HE ARG 48 HE ARG 48 7.289 0.253 -17.659 383 HH11 ARG 48 1HH1 ARG 48 5.547 2.317 -19.897 384 HH12 ARG 48 2HH1 ARG 48 4.744 0.988 -20.688 385 HH21 ARG 48 1HH2 ARG 48 6.234 -1.484 -18.690 386 HH22 ARG 48 2HH2 ARG 48 5.133 -1.164 -20.001 387 H ALA 49 H ALA 49 9.538 2.391 -13.483 388 HA ALA 49 HA ALA 49 6.832 1.996 -12.462 389 HB1 ALA 49 3HB ALA 49 8.056 0.031 -13.272 390 HB2 ALA 49 1HB ALA 49 7.669 -0.102 -11.555 391 HB3 ALA 49 2HB ALA 49 9.307 0.317 -12.061 392 H THR 50 H THR 50 6.263 3.057 -10.711 393 HA THR 50 HA THR 50 8.244 4.054 -8.848 394 HB THR 50 HB THR 50 5.230 4.199 -8.632 395 HG1 THR 50 HG1 THR 50 6.976 5.466 -10.314 396 HG21 THR 50 3HG2 THR 50 7.435 5.848 -7.382 397 HG22 THR 50 1HG2 THR 50 6.395 4.693 -6.547 398 HG23 THR 50 2HG2 THR 50 5.709 6.169 -7.225 399 H HIS 51 H HIS 51 8.930 2.951 -7.136 400 HA HIS 51 HA HIS 51 7.610 0.450 -6.442 401 HB2 HIS 51 1HB HIS 51 10.150 1.664 -5.326 402 HB3 HIS 51 2HB HIS 51 9.568 0.029 -5.036 403 HD1 HIS 51 HD1 HIS 51 12.336 0.363 -6.144 404 HD2 HIS 51 HD2 HIS 51 8.975 0.003 -8.569 405 HE1 HIS 51 HE1 HIS 51 13.183 -0.467 -8.364 406 HE2 HIS 51 HE2 HIS 51 11.123 -0.813 -9.772 407 H TYR 52 H TYR 52 6.046 0.454 -4.970 408 HA TYR 52 HA TYR 52 6.215 2.361 -2.737 409 HB2 TYR 52 1HB TYR 52 3.886 0.734 -3.783 410 HB3 TYR 52 2HB TYR 52 3.830 1.718 -2.317 411 HD1 TYR 52 HD2 TYR 52 3.869 4.140 -2.448 412 HD2 TYR 52 HD1 TYR 52 3.862 1.761 -5.970 413 HE1 TYR 52 HE2 TYR 52 3.271 6.119 -3.776 414 HE2 TYR 52 HE1 TYR 52 3.262 3.736 -7.308 415 HH TYR 52 HH TYR 52 2.132 5.965 -6.907 416 H GLN 53 H GLN 53 7.065 1.577 -0.935 417 HA GLN 53 HA GLN 53 6.873 -1.317 -0.466 418 HB2 GLN 53 1HB GLN 53 9.163 -0.467 -0.590 419 HB3 GLN 53 2HB GLN 53 8.813 0.702 0.681 420 HG2 GLN 53 1HG GLN 53 8.487 -1.073 2.280 421 HG3 GLN 53 2HG GLN 53 8.704 -2.287 1.018 422 HE21 GLN 53 2HE2 GLN 53 10.624 0.616 1.151 423 HE22 GLN 53 1HE2 GLN 53 12.108 -0.156 1.604 424 H ILE 54 H ILE 54 6.226 -2.108 1.501 425 HA ILE 54 HA ILE 54 4.150 -0.799 2.828 426 HB ILE 54 HB ILE 54 4.378 -2.583 4.544 427 HG12 ILE 54 1HG1 ILE 54 6.770 -3.403 2.875 428 HG13 ILE 54 2HG1 ILE 54 6.840 -2.756 4.509 429 HG21 ILE 54 1HG2 ILE 54 3.883 -4.437 3.018 430 HG22 ILE 54 2HG2 ILE 54 4.525 -3.493 1.673 431 HG23 ILE 54 3HG2 ILE 54 3.078 -2.949 2.522 432 HD11 ILE 54 3HD1 ILE 54 5.576 -5.362 3.694 433 HD12 ILE 54 1HD1 ILE 54 5.646 -4.716 5.334 434 HD13 ILE 54 2HD1 ILE 54 7.133 -5.161 4.497 435 H THR 55 H THR 55 4.006 0.376 4.677 436 HA THR 55 HA THR 55 6.518 1.108 6.020 437 HB THR 55 HB THR 55 5.322 3.036 6.908 438 HG1 THR 55 HG1 THR 55 3.105 3.354 6.004 439 HG21 THR 55 3HG2 THR 55 4.860 4.248 4.819 440 HG22 THR 55 1HG2 THR 55 4.855 2.720 3.938 441 HG23 THR 55 2HG2 THR 55 6.339 3.295 4.700 442 H GLU 56 H GLU 56 5.887 1.777 8.450 443 HA GLU 56 HA GLU 56 5.151 -0.528 9.871 444 HB2 GLU 56 1HB GLU 56 5.002 1.008 11.824 445 HB3 GLU 56 2HB GLU 56 6.482 1.208 10.895 446 HG2 GLU 56 1HG GLU 56 5.111 3.076 9.683 447 HG3 GLU 56 2HG GLU 56 4.146 3.034 11.158 448 H ARG 57 H ARG 57 3.305 2.197 8.685 449 HA ARG 57 HA ARG 57 0.875 1.485 10.040 450 HB2 ARG 57 1HB ARG 57 1.231 3.308 7.653 451 HB3 ARG 57 2HB ARG 57 -0.148 3.257 8.748 452 HG2 ARG 57 1HG ARG 57 1.236 4.063 10.568 453 HG3 ARG 57 2HG ARG 57 2.653 4.056 9.515 454 HD2 ARG 57 1HD ARG 57 1.434 5.664 8.026 455 HD3 ARG 57 2HD ARG 57 0.190 5.773 9.275 456 HE ARG 57 HE ARG 57 2.677 6.281 10.458 457 HH11 ARG 57 1HH1 ARG 57 0.457 7.751 8.176 458 HH12 ARG 57 2HH1 ARG 57 0.987 9.369 8.523 459 HH21 ARG 57 1HH2 ARG 57 3.363 8.389 10.911 460 HH22 ARG 57 2HH2 ARG 57 2.655 9.734 10.071 461 H GLY 58 H GLY 58 2.232 1.111 6.804 462 HA2 GLY 58 1HA GLY 58 0.010 -0.127 5.592 463 HA3 GLY 58 2HA GLY 58 1.686 -0.305 5.080 464 H THR 59 H THR 59 2.561 -1.396 7.628 465 HA THR 59 HA THR 59 1.902 -4.141 7.227 466 HB THR 59 HB THR 59 3.365 -2.863 9.550 467 HG1 THR 59 HG1 THR 59 4.618 -2.439 7.810 468 HG21 THR 59 3HG2 THR 59 3.344 -5.720 8.561 469 HG22 THR 59 1HG2 THR 59 2.579 -5.135 10.039 470 HG23 THR 59 2HG2 THR 59 4.335 -5.088 9.877 471 H SER 60 H SER 60 1.079 -1.731 9.681 472 HA SER 60 HA SER 60 -0.459 -3.436 11.319 473 HB2 SER 60 1HB SER 60 0.428 -1.260 12.075 474 HB3 SER 60 2HB SER 60 -0.658 -0.434 10.954 475 HG SER 60 HG SER 60 -1.997 -0.463 12.566 476 H ALA 61 H ALA 61 -1.248 -1.481 8.501 477 HA ALA 61 HA ALA 61 -4.049 -1.671 8.644 478 HB1 ALA 61 3HB ALA 61 -2.316 -1.398 6.196 479 HB2 ALA 61 1HB ALA 61 -2.855 -0.071 7.225 480 HB3 ALA 61 2HB ALA 61 -4.034 -1.011 6.309 481 H ALA 62 H ALA 62 -1.622 -3.860 7.390 482 HA ALA 62 HA ALA 62 -3.476 -5.532 5.983 483 HB1 ALA 62 3HB ALA 62 -1.120 -5.391 5.335 484 HB2 ALA 62 1HB ALA 62 -1.596 -7.049 5.699 485 HB3 ALA 62 2HB ALA 62 -0.655 -6.123 6.870 486 H LEU 63 H LEU 63 -2.227 -5.361 9.212 487 HA LEU 63 HA LEU 63 -3.064 -7.993 9.988 488 HB2 LEU 63 1HB LEU 63 -1.208 -6.782 11.085 489 HB3 LEU 63 2HB LEU 63 -2.356 -5.594 11.680 490 HG LEU 63 HG LEU 63 -3.472 -7.374 12.996 491 HD11 LEU 63 1HD1 LEU 63 -2.875 -9.297 11.640 492 HD12 LEU 63 2HD1 LEU 63 -2.316 -9.520 13.298 493 HD13 LEU 63 3HD1 LEU 63 -1.171 -9.070 12.035 494 HD21 LEU 63 3HD2 LEU 63 -1.777 -5.944 14.010 495 HD22 LEU 63 1HD2 LEU 63 -0.516 -7.070 13.507 496 HD23 LEU 63 2HD2 LEU 63 -1.726 -7.571 14.689 497 H ARG 64 H ARG 64 -4.433 -4.815 9.912 498 HA ARG 64 HA ARG 64 -6.629 -5.173 11.643 499 HB2 ARG 64 1HB ARG 64 -5.636 -3.038 10.451 500 HB3 ARG 64 2HB ARG 64 -6.778 -3.453 9.186 501 HG2 ARG 64 1HG ARG 64 -7.467 -2.838 12.055 502 HG3 ARG 64 2HG ARG 64 -7.660 -1.748 10.686 503 HD2 ARG 64 1HD ARG 64 -9.158 -4.289 11.275 504 HD3 ARG 64 2HD ARG 64 -9.796 -2.653 11.145 505 HE ARG 64 HE ARG 64 -8.714 -4.134 8.829 506 HH11 ARG 64 1HH1 ARG 64 -11.093 -1.988 10.245 507 HH12 ARG 64 2HH1 ARG 64 -12.107 -1.972 8.832 508 HH21 ARG 64 1HH2 ARG 64 -10.042 -4.134 6.974 509 HH22 ARG 64 2HH2 ARG 64 -11.519 -3.206 6.974 510 H SER 65 H SER 65 -7.877 -6.976 11.335 511 HA SER 65 HA SER 65 -9.020 -7.340 8.645 512 HB2 SER 65 1HB SER 65 -7.598 -9.238 9.471 513 HB3 SER 65 2HB SER 65 -8.731 -9.450 10.804 514 HG SER 65 HG SER 65 -10.303 -10.062 9.380 Start of MODEL 10 1 H1 MET 1 1H MET 1 -11.644 7.018 6.657 2 H2 MET 1 2H MET 1 -10.730 7.845 7.822 3 H3 MET 1 3H MET 1 -10.328 6.256 7.403 4 HA MET 1 HA MET 1 -10.176 8.614 5.621 5 HB2 MET 1 1HB MET 1 -8.035 6.974 6.986 6 HB3 MET 1 2HB MET 1 -7.711 8.116 5.685 7 HG2 MET 1 1HG MET 1 -8.561 9.938 7.053 8 HG3 MET 1 2HG MET 1 -8.927 8.801 8.353 9 HE1 MET 1 3HE MET 1 -5.887 10.800 9.798 10 HE2 MET 1 1HE MET 1 -7.555 10.291 10.059 11 HE3 MET 1 2HE MET 1 -7.174 11.438 8.776 12 H ALA 2 H ALA 2 -9.721 5.141 6.047 13 HA ALA 2 HA ALA 2 -9.690 4.861 3.112 14 HB1 ALA 2 3HB ALA 2 -7.470 4.412 3.995 15 HB2 ALA 2 1HB ALA 2 -8.201 2.927 3.389 16 HB3 ALA 2 2HB ALA 2 -8.138 3.235 5.125 17 H THR 3 H THR 3 -10.523 2.779 2.345 18 HA THR 3 HA THR 3 -12.631 1.782 4.148 19 HB THR 3 HB THR 3 -13.477 2.877 2.097 20 HG1 THR 3 HG1 THR 3 -14.964 1.288 1.685 21 HG21 THR 3 3HG2 THR 3 -12.033 0.654 0.648 22 HG22 THR 3 1HG2 THR 3 -11.624 2.369 0.588 23 HG23 THR 3 2HG2 THR 3 -13.152 1.803 -0.086 24 H ALA 4 H ALA 4 -13.340 -0.535 3.185 25 HA ALA 4 HA ALA 4 -11.394 -2.313 4.107 26 HB1 ALA 4 3HB ALA 4 -12.885 -4.074 3.353 27 HB2 ALA 4 1HB ALA 4 -13.771 -2.920 2.357 28 HB3 ALA 4 2HB ALA 4 -13.802 -2.774 4.116 29 H ASP 5 H ASP 5 -12.095 -1.200 0.852 30 HA ASP 5 HA ASP 5 -10.555 -3.189 -0.462 31 HB2 ASP 5 1HB ASP 5 -11.945 -0.732 -1.259 32 HB3 ASP 5 2HB ASP 5 -10.519 -1.114 -2.230 33 H ASP 6 H ASP 6 -9.749 -0.099 0.963 34 HA ASP 6 HA ASP 6 -7.150 0.113 -0.142 35 HB2 ASP 6 1HB ASP 6 -8.271 1.170 2.466 36 HB3 ASP 6 2HB ASP 6 -6.677 1.583 1.836 37 H PHE 7 H PHE 7 -8.452 -1.412 2.756 38 HA PHE 7 HA PHE 7 -6.064 -2.325 3.864 39 HB2 PHE 7 1HB PHE 7 -8.891 -3.336 4.015 40 HB3 PHE 7 2HB PHE 7 -7.575 -4.109 4.892 41 HD1 PHE 7 HD1 PHE 7 -6.330 -2.812 6.616 42 HD2 PHE 7 HD2 PHE 7 -9.890 -1.357 4.798 43 HE1 PHE 7 HE1 PHE 7 -6.609 -1.203 8.457 44 HE2 PHE 7 HE2 PHE 7 -10.172 0.258 6.631 45 HZ PHE 7 HZ PHE 7 -8.530 0.336 8.464 46 H LYS 8 H LYS 8 -8.171 -3.735 1.423 47 HA LYS 8 HA LYS 8 -6.746 -6.190 1.213 48 HB2 LYS 8 1HB LYS 8 -8.618 -4.815 -0.721 49 HB3 LYS 8 2HB LYS 8 -7.949 -6.418 -0.984 50 HG2 LYS 8 1HG LYS 8 -9.005 -7.078 1.218 51 HG3 LYS 8 2HG LYS 8 -9.872 -5.539 1.150 52 HD2 LYS 8 1HD LYS 8 -9.947 -7.635 -1.021 53 HD3 LYS 8 2HD LYS 8 -11.159 -7.479 0.248 54 HE2 LYS 8 1HE LYS 8 -10.462 -5.187 -1.561 55 HE3 LYS 8 2HE LYS 8 -11.652 -6.403 -2.025 56 HZ1 LYS 8 3HZ LYS 8 -12.582 -4.368 -0.948 57 HZ2 LYS 8 1HZ LYS 8 -11.819 -4.843 0.493 58 HZ3 LYS 8 2HZ LYS 8 -13.016 -5.823 -0.193 59 H LEU 9 H LEU 9 -6.627 -3.133 -0.538 60 HA LEU 9 HA LEU 9 -4.819 -3.935 -2.542 61 HB2 LEU 9 1HB LEU 9 -6.322 -1.883 -2.480 62 HB3 LEU 9 2HB LEU 9 -5.122 -1.143 -1.438 63 HG LEU 9 HG LEU 9 -4.387 -2.162 -4.175 64 HD11 LEU 9 1HD1 LEU 9 -4.754 0.105 -5.020 65 HD12 LEU 9 2HD1 LEU 9 -5.442 0.573 -3.465 66 HD13 LEU 9 3HD1 LEU 9 -6.259 -0.628 -4.465 67 HD21 LEU 9 3HD2 LEU 9 -3.231 -0.028 -2.381 68 HD22 LEU 9 1HD2 LEU 9 -2.630 -0.466 -3.981 69 HD23 LEU 9 2HD2 LEU 9 -2.552 -1.631 -2.660 70 H ILE 10 H ILE 10 -4.305 -2.391 0.611 71 HA ILE 10 HA ILE 10 -1.496 -2.125 0.294 72 HB ILE 10 HB ILE 10 -2.806 -0.768 1.910 73 HG12 ILE 10 1HG1 ILE 10 -1.159 -0.885 3.759 74 HG13 ILE 10 2HG1 ILE 10 -0.562 -2.404 3.102 75 HG21 ILE 10 1HG2 ILE 10 -2.926 -3.320 3.507 76 HG22 ILE 10 2HG2 ILE 10 -4.292 -2.487 2.765 77 HG23 ILE 10 3HG2 ILE 10 -3.404 -1.724 4.084 78 HD11 ILE 10 3HD1 ILE 10 0.875 -0.555 2.489 79 HD12 ILE 10 1HD1 ILE 10 -0.487 0.263 1.724 80 HD13 ILE 10 2HD1 ILE 10 0.112 -1.258 1.063 81 H ARG 11 H ARG 11 -3.560 -4.700 1.432 82 HA ARG 11 HA ARG 11 -1.497 -6.208 2.688 83 HB2 ARG 11 1HB ARG 11 -3.960 -6.489 3.106 84 HB3 ARG 11 2HB ARG 11 -4.083 -7.250 1.526 85 HG2 ARG 11 1HG ARG 11 -2.556 -9.006 2.239 86 HG3 ARG 11 2HG ARG 11 -2.406 -8.238 3.821 87 HD2 ARG 11 1HD ARG 11 -4.851 -8.509 4.123 88 HD3 ARG 11 2HD ARG 11 -4.903 -9.398 2.600 89 HE ARG 11 HE ARG 11 -3.285 -10.301 4.900 90 HH11 ARG 11 1HH1 ARG 11 -5.535 -10.907 2.288 91 HH12 ARG 11 2HH1 ARG 11 -5.709 -12.601 2.660 92 HH21 ARG 11 1HH2 ARG 11 -3.504 -12.523 5.391 93 HH22 ARG 11 2HH2 ARG 11 -4.554 -13.515 4.422 94 H ASP 12 H ASP 12 -2.851 -6.028 -0.532 95 HA ASP 12 HA ASP 12 -1.655 -8.232 -1.739 96 HB2 ASP 12 1HB ASP 12 -3.316 -6.942 -2.910 97 HB3 ASP 12 2HB ASP 12 -2.312 -5.495 -2.848 98 H ILE 13 H ILE 13 -0.379 -5.034 -1.059 99 HA ILE 13 HA ILE 13 2.008 -5.127 -2.469 100 HB ILE 13 HB ILE 13 1.773 -3.901 0.274 101 HG12 ILE 13 1HG1 ILE 13 -0.214 -3.253 -1.013 102 HG13 ILE 13 2HG1 ILE 13 0.868 -1.882 -0.790 103 HG21 ILE 13 1HG2 ILE 13 3.988 -3.869 -0.731 104 HG22 ILE 13 2HG2 ILE 13 3.319 -2.239 -0.643 105 HG23 ILE 13 3HG2 ILE 13 3.334 -3.104 -2.180 106 HD11 ILE 13 3HD1 ILE 13 1.695 -2.182 -3.071 107 HD12 ILE 13 1HD1 ILE 13 -0.047 -1.915 -3.026 108 HD13 ILE 13 2HD1 ILE 13 0.588 -3.539 -3.283 109 H HIS 14 H HIS 14 1.175 -6.365 0.715 110 HA HIS 14 HA HIS 14 3.788 -7.215 1.436 111 HB2 HIS 14 1HB HIS 14 1.064 -8.062 2.441 112 HB3 HIS 14 2HB HIS 14 2.586 -8.564 3.170 113 HD1 HIS 14 HD1 HIS 14 3.795 -6.856 4.657 114 HD2 HIS 14 HD2 HIS 14 0.336 -5.415 2.868 115 HE1 HIS 14 HE1 HIS 14 3.343 -4.635 5.748 116 HE2 HIS 14 HE2 HIS 14 1.117 -3.904 4.816 117 H SER 15 H SER 15 0.990 -8.805 0.006 118 HA SER 15 HA SER 15 2.065 -11.405 -0.087 119 HB2 SER 15 1HB SER 15 -0.009 -10.205 -1.936 120 HB3 SER 15 2HB SER 15 0.202 -11.910 -1.536 121 HG SER 15 HG SER 15 -1.483 -11.010 -0.301 122 H THR 16 H THR 16 2.472 -8.618 -2.119 123 HA THR 16 HA THR 16 3.612 -10.035 -4.339 124 HB THR 16 HB THR 16 3.868 -7.087 -3.680 125 HG1 THR 16 HG1 THR 16 1.642 -7.915 -3.856 126 HG21 THR 16 3HG2 THR 16 5.419 -7.860 -5.412 127 HG22 THR 16 1HG2 THR 16 4.169 -6.822 -6.100 128 HG23 THR 16 2HG2 THR 16 4.074 -8.572 -6.305 129 H GLY 17 H GLY 17 4.717 -9.211 -1.255 130 HA2 GLY 17 1HA GLY 17 6.905 -10.312 -0.766 131 HA3 GLY 17 2HA GLY 17 7.526 -9.425 -2.153 132 H GLY 18 H GLY 18 5.386 -7.407 -0.690 133 HA2 GLY 18 1HA GLY 18 5.636 -5.987 1.231 134 HA3 GLY 18 2HA GLY 18 7.361 -6.353 1.228 135 H ARG 19 H ARG 19 6.940 -6.029 -1.857 136 HA ARG 19 HA ARG 19 7.024 -3.089 -1.922 137 HB2 ARG 19 1HB ARG 19 8.879 -4.959 -3.419 138 HB3 ARG 19 2HB ARG 19 8.867 -3.203 -3.538 139 HG2 ARG 19 1HG ARG 19 9.623 -2.991 -1.271 140 HG3 ARG 19 2HG ARG 19 9.482 -4.733 -1.021 141 HD2 ARG 19 1HD ARG 19 11.182 -5.113 -2.738 142 HD3 ARG 19 2HD ARG 19 11.328 -3.374 -2.981 143 HE ARG 19 HE ARG 19 11.821 -3.702 -0.324 144 HH11 ARG 19 1HH1 ARG 19 13.117 -5.204 -3.211 145 HH12 ARG 19 2HH1 ARG 19 14.720 -5.373 -2.557 146 HH21 ARG 19 1HH2 ARG 19 13.940 -3.932 0.543 147 HH22 ARG 19 2HH2 ARG 19 15.179 -4.670 -0.427 148 H ARG 20 H ARG 20 5.900 -2.202 -3.612 149 HA ARG 20 HA ARG 20 5.113 -4.002 -5.800 150 HB2 ARG 20 1HB ARG 20 3.245 -3.647 -4.162 151 HB3 ARG 20 2HB ARG 20 3.302 -1.930 -4.559 152 HG2 ARG 20 1HG ARG 20 1.537 -2.913 -5.822 153 HG3 ARG 20 2HG ARG 20 2.855 -2.557 -6.942 154 HD2 ARG 20 1HD ARG 20 3.606 -4.956 -6.582 155 HD3 ARG 20 2HD ARG 20 2.047 -5.219 -5.795 156 HE ARG 20 HE ARG 20 2.015 -4.116 -8.496 157 HH11 ARG 20 1HH1 ARG 20 1.525 -6.866 -6.378 158 HH12 ARG 20 2HH1 ARG 20 0.745 -7.824 -7.599 159 HH21 ARG 20 1HH2 ARG 20 1.027 -5.400 -10.119 160 HH22 ARG 20 2HH2 ARG 20 0.488 -7.009 -9.725 161 H GLN 21 H GLN 21 6.044 -3.237 -7.581 162 HA GLN 21 HA GLN 21 6.441 -0.375 -7.908 163 HB2 GLN 21 1HB GLN 21 7.602 -1.002 -10.013 164 HB3 GLN 21 2HB GLN 21 8.283 -1.785 -8.590 165 HG2 GLN 21 1HG GLN 21 7.179 -3.853 -9.143 166 HG3 GLN 21 2HG GLN 21 6.351 -3.086 -10.500 167 HE21 GLN 21 2HE2 GLN 21 8.711 -1.537 -11.256 168 HE22 GLN 21 1HE2 GLN 21 9.785 -2.658 -12.036 169 H VAL 22 H VAL 22 4.971 0.869 -8.805 170 HA VAL 22 HA VAL 22 3.065 -0.329 -10.714 171 HB VAL 22 HB VAL 22 2.454 1.888 -8.749 172 HG11 VAL 22 1HG1 VAL 22 0.664 0.318 -10.599 173 HG12 VAL 22 2HG1 VAL 22 1.125 2.010 -10.778 174 HG13 VAL 22 3HG1 VAL 22 0.123 1.508 -9.416 175 HG21 VAL 22 3HG2 VAL 22 1.643 -1.013 -8.645 176 HG22 VAL 22 1HG2 VAL 22 1.104 0.251 -7.542 177 HG23 VAL 22 2HG2 VAL 22 2.802 -0.223 -7.577 178 H PHE 23 H PHE 23 2.736 0.786 -12.588 179 HA PHE 23 HA PHE 23 4.635 2.837 -13.237 180 HB2 PHE 23 1HB PHE 23 2.321 1.713 -14.834 181 HB3 PHE 23 2HB PHE 23 3.558 2.791 -15.470 182 HD1 PHE 23 HD1 PHE 23 5.835 2.003 -15.820 183 HD2 PHE 23 HD2 PHE 23 2.782 -0.611 -14.424 184 HE1 PHE 23 HE1 PHE 23 7.246 0.065 -16.377 185 HE2 PHE 23 HE2 PHE 23 4.188 -2.553 -14.976 186 HZ PHE 23 HZ PHE 23 6.423 -2.216 -15.953 187 H GLY 24 H GLY 24 4.221 4.991 -13.770 188 HA2 GLY 24 1HA GLY 24 2.273 6.337 -12.244 189 HA3 GLY 24 2HA GLY 24 3.220 7.047 -13.550 190 H SER 25 H SER 25 0.194 5.698 -12.622 191 HA SER 25 HA SER 25 -1.107 6.610 -15.013 192 HB2 SER 25 1HB SER 25 -1.956 4.341 -15.639 193 HB3 SER 25 2HB SER 25 -0.211 4.500 -15.848 194 HG SER 25 HG SER 25 0.107 3.357 -13.957 195 H ARG 26 H ARG 26 -3.465 5.399 -14.921 196 HA ARG 26 HA ARG 26 -4.825 6.322 -12.676 197 HB2 ARG 26 1HB ARG 26 -6.662 4.733 -13.451 198 HB3 ARG 26 2HB ARG 26 -6.112 5.932 -14.608 199 HG2 ARG 26 1HG ARG 26 -6.295 4.015 -15.885 200 HG3 ARG 26 2HG ARG 26 -4.578 4.061 -15.494 201 HD2 ARG 26 1HD ARG 26 -5.161 2.524 -13.536 202 HD3 ARG 26 2HD ARG 26 -6.721 2.299 -14.330 203 HE ARG 26 HE ARG 26 -4.905 1.790 -16.297 204 HH11 ARG 26 1HH1 ARG 26 -5.515 0.448 -13.102 205 HH12 ARG 26 2HH1 ARG 26 -4.726 -1.058 -13.466 206 HH21 ARG 26 1HH2 ARG 26 -3.898 -0.171 -16.764 207 HH22 ARG 26 2HH2 ARG 26 -3.802 -1.417 -15.551 208 H GLU 27 H GLU 27 -3.071 3.400 -13.139 209 HA GLU 27 HA GLU 27 -4.315 1.908 -11.041 210 HB2 GLU 27 1HB GLU 27 -3.149 0.893 -13.005 211 HB3 GLU 27 2HB GLU 27 -1.622 1.463 -12.336 212 HG2 GLU 27 1HG GLU 27 -1.802 0.027 -10.465 213 HG3 GLU 27 2HG GLU 27 -3.480 -0.374 -10.849 214 H GLN 28 H GLN 28 -1.671 4.152 -11.272 215 HA GLN 28 HA GLN 28 -0.509 3.413 -8.740 216 HB2 GLN 28 1HB GLN 28 0.787 4.349 -10.697 217 HB3 GLN 28 2HB GLN 28 0.032 5.904 -10.363 218 HG2 GLN 28 1HG GLN 28 1.021 5.896 -8.129 219 HG3 GLN 28 2HG GLN 28 1.789 4.349 -8.477 220 HE21 GLN 28 2HE2 GLN 28 3.518 4.275 -9.914 221 HE22 GLN 28 1HE2 GLN 28 4.404 5.704 -10.343 222 H LYS 29 H LYS 29 -3.006 5.431 -9.829 223 HA LYS 29 HA LYS 29 -2.997 7.607 -8.153 224 HB2 LYS 29 1HB LYS 29 -4.510 7.233 -10.084 225 HB3 LYS 29 2HB LYS 29 -5.428 6.093 -9.117 226 HG2 LYS 29 1HG LYS 29 -5.071 8.860 -8.093 227 HG3 LYS 29 2HG LYS 29 -6.200 8.581 -9.419 228 HD2 LYS 29 1HD LYS 29 -7.293 6.825 -8.017 229 HD3 LYS 29 2HD LYS 29 -6.247 7.314 -6.682 230 HE2 LYS 29 1HE LYS 29 -7.178 9.539 -6.711 231 HE3 LYS 29 2HE LYS 29 -8.137 9.156 -8.140 232 HZ1 LYS 29 3HZ LYS 29 -8.470 8.103 -5.392 233 HZ2 LYS 29 1HZ LYS 29 -9.223 7.396 -6.740 234 HZ3 LYS 29 2HZ LYS 29 -9.576 8.996 -6.314 235 HA PRO 30 HA PRO 30 -5.534 5.242 -4.764 236 HB2 PRO 30 1HB PRO 30 -5.396 2.517 -4.799 237 HB3 PRO 30 2HB PRO 30 -6.716 3.445 -5.524 238 HG2 PRO 30 1HG PRO 30 -4.314 2.225 -6.829 239 HG3 PRO 30 2HG PRO 30 -6.000 2.253 -7.382 240 HD2 PRO 30 1HD PRO 30 -4.145 3.928 -8.382 241 HD3 PRO 30 2HD PRO 30 -5.839 4.419 -8.169 242 H PHE 31 H PHE 31 -2.503 4.108 -6.018 243 HA PHE 31 HA PHE 31 -1.553 3.004 -3.553 244 HB2 PHE 31 1HB PHE 31 -0.251 3.620 -6.193 245 HB3 PHE 31 2HB PHE 31 0.679 3.050 -4.810 246 HD1 PHE 31 HD1 PHE 31 -2.276 2.160 -6.891 247 HD2 PHE 31 HD2 PHE 31 0.926 0.780 -4.457 248 HE1 PHE 31 HE1 PHE 31 -2.834 -0.159 -7.484 249 HE2 PHE 31 HE2 PHE 31 0.373 -1.545 -5.046 250 HZ PHE 31 HZ PHE 31 -1.508 -2.017 -6.561 251 H GLU 32 H GLU 32 -1.110 6.053 -5.288 252 HA GLU 32 HA GLU 32 0.859 7.044 -3.484 253 HB2 GLU 32 1HB GLU 32 0.561 9.194 -4.568 254 HB3 GLU 32 2HB GLU 32 0.649 7.918 -5.765 255 HG2 GLU 32 1HG GLU 32 -1.038 9.196 -6.609 256 HG3 GLU 32 2HG GLU 32 -1.953 8.027 -5.660 257 H ASP 33 H ASP 33 -2.572 6.942 -3.495 258 HA ASP 33 HA ASP 33 -3.087 8.901 -1.528 259 HB2 ASP 33 1HB ASP 33 -4.851 7.975 -2.970 260 HB3 ASP 33 2HB ASP 33 -4.665 6.405 -2.184 261 H LEU 34 H LEU 34 -2.382 5.440 -1.335 262 HA LEU 34 HA LEU 34 -2.744 5.192 1.448 263 HB2 LEU 34 1HB LEU 34 -0.992 3.608 -0.430 264 HB3 LEU 34 2HB LEU 34 -1.337 3.161 1.234 265 HG LEU 34 HG LEU 34 -3.314 3.317 -1.043 266 HD11 LEU 34 1HD1 LEU 34 -3.538 0.920 -0.676 267 HD12 LEU 34 2HD1 LEU 34 -2.317 0.993 0.594 268 HD13 LEU 34 3HD1 LEU 34 -1.876 1.350 -1.075 269 HD21 LEU 34 3HD2 LEU 34 -4.348 4.094 1.027 270 HD22 LEU 34 1HD2 LEU 34 -3.793 2.641 1.857 271 HD23 LEU 34 2HD2 LEU 34 -4.976 2.515 0.557 272 H VAL 35 H VAL 35 -0.106 6.362 -0.500 273 HA VAL 35 HA VAL 35 1.907 6.370 1.474 274 HB VAL 35 HB VAL 35 1.542 8.368 -0.767 275 HG11 VAL 35 1HG1 VAL 35 3.133 9.117 0.905 276 HG12 VAL 35 2HG1 VAL 35 3.971 8.665 -0.580 277 HG13 VAL 35 3HG1 VAL 35 3.988 7.578 0.810 278 HG21 VAL 35 3HG2 VAL 35 3.027 5.744 -0.727 279 HG22 VAL 35 1HG2 VAL 35 3.081 6.928 -2.034 280 HG23 VAL 35 2HG2 VAL 35 1.567 6.111 -1.647 281 H ASP 36 H ASP 36 -0.604 8.683 0.621 282 HA ASP 36 HA ASP 36 0.065 10.730 2.420 283 HB2 ASP 36 1HB ASP 36 -1.546 11.065 0.621 284 HB3 ASP 36 2HB ASP 36 -2.636 9.882 1.341 285 H LEU 37 H LEU 37 -1.844 7.804 2.786 286 HA LEU 37 HA LEU 37 -2.700 8.405 5.451 287 HB2 LEU 37 1HB LEU 37 -2.742 5.817 3.898 288 HB3 LEU 37 2HB LEU 37 -3.571 6.106 5.418 289 HG LEU 37 HG LEU 37 -4.152 7.530 2.820 290 HD11 LEU 37 1HD1 LEU 37 -6.241 6.258 2.854 291 HD12 LEU 37 2HD1 LEU 37 -5.687 5.392 4.288 292 HD13 LEU 37 3HD1 LEU 37 -4.834 5.198 2.756 293 HD21 LEU 37 3HD2 LEU 37 -4.584 8.935 4.764 294 HD22 LEU 37 1HD2 LEU 37 -5.541 7.647 5.495 295 HD23 LEU 37 2HD2 LEU 37 -6.095 8.423 4.013 296 H GLY 38 H GLY 38 0.190 7.247 4.140 297 HA2 GLY 38 1HA GLY 38 2.146 6.756 5.313 298 HA3 GLY 38 2HA GLY 38 1.194 6.623 6.789 299 H TRP 39 H TRP 39 0.049 4.891 4.058 300 HA TRP 39 HA TRP 39 0.693 2.374 5.382 301 HB2 TRP 39 1HB TRP 39 -1.070 3.022 3.003 302 HB3 TRP 39 2HB TRP 39 -0.824 1.396 3.636 303 HD1 TRP 39 HD1 TRP 39 -1.180 4.079 6.274 304 HE1 TRP 39 HE1 TRP 39 -3.496 3.879 7.392 305 HE3 TRP 39 HE3 TRP 39 -3.353 0.722 3.084 306 HZ2 TRP 39 HZ2 TRP 39 -5.886 2.503 6.988 307 HZ3 TRP 39 HZ3 TRP 39 -5.669 0.018 3.527 308 HH2 TRP 39 HH2 TRP 39 -6.909 0.889 5.440 309 H LEU 40 H LEU 40 1.318 4.145 2.432 310 HA LEU 40 HA LEU 40 3.376 2.166 1.715 311 HB2 LEU 40 1HB LEU 40 1.542 3.761 -0.060 312 HB3 LEU 40 2HB LEU 40 3.033 3.061 -0.658 313 HG LEU 40 HG LEU 40 0.724 1.514 0.520 314 HD11 LEU 40 1HD1 LEU 40 1.678 1.810 -2.326 315 HD12 LEU 40 2HD1 LEU 40 0.177 2.448 -1.655 316 HD13 LEU 40 3HD1 LEU 40 0.417 0.705 -1.778 317 HD21 LEU 40 3HD2 LEU 40 3.310 0.593 -0.741 318 HD22 LEU 40 1HD2 LEU 40 1.966 -0.455 -0.285 319 HD23 LEU 40 2HD2 LEU 40 2.856 0.428 0.955 320 H LYS 41 H LYS 41 5.265 3.002 0.705 321 HA LYS 41 HA LYS 41 5.572 5.895 0.602 322 HB2 LYS 41 1HB LYS 41 6.388 5.136 2.870 323 HB3 LYS 41 2HB LYS 41 7.612 4.181 2.034 324 HG2 LYS 41 1HG LYS 41 8.424 6.273 0.972 325 HG3 LYS 41 2HG LYS 41 7.294 7.175 1.982 326 HD2 LYS 41 1HD LYS 41 9.416 7.261 3.046 327 HD3 LYS 41 2HD LYS 41 8.417 6.142 3.975 328 HE2 LYS 41 1HE LYS 41 9.503 4.250 2.958 329 HE3 LYS 41 2HE LYS 41 10.398 5.304 1.860 330 HZ1 LYS 41 3HZ LYS 41 11.682 4.495 3.828 331 HZ2 LYS 41 1HZ LYS 41 10.662 5.420 4.817 332 HZ3 LYS 41 2HZ LYS 41 11.640 6.184 3.662 333 H ARG 42 H ARG 42 6.325 6.320 -1.350 334 HA ARG 42 HA ARG 42 7.766 4.258 -2.807 335 HB2 ARG 42 1HB ARG 42 7.458 5.792 -4.743 336 HB3 ARG 42 2HB ARG 42 5.952 5.258 -4.014 337 HG2 ARG 42 1HG ARG 42 5.786 7.414 -2.842 338 HG3 ARG 42 2HG ARG 42 7.275 7.943 -3.637 339 HD2 ARG 42 1HD ARG 42 6.205 7.657 -5.818 340 HD3 ARG 42 2HD ARG 42 4.726 7.122 -5.026 341 HE ARG 42 HE ARG 42 5.638 9.741 -4.218 342 HH11 ARG 42 1HH1 ARG 42 3.640 7.893 -6.420 343 HH12 ARG 42 2HH1 ARG 42 2.671 9.257 -6.898 344 HH21 ARG 42 1HH2 ARG 42 4.349 11.531 -4.806 345 HH22 ARG 42 2HH2 ARG 42 3.067 11.327 -5.967 346 H SER 43 H SER 43 9.810 4.590 -3.709 347 HA SER 43 HA SER 43 11.210 7.052 -3.018 348 HB2 SER 43 1HB SER 43 12.218 4.311 -2.222 349 HB3 SER 43 2HB SER 43 13.115 5.821 -2.052 350 HG SER 43 HG SER 43 10.731 6.165 -0.939 351 H SER 44 H SER 44 11.846 3.794 -4.358 352 HA SER 44 HA SER 44 13.609 4.999 -6.346 353 HB2 SER 44 1HB SER 44 13.030 2.089 -5.750 354 HB3 SER 44 2HB SER 44 14.299 2.699 -6.814 355 HG SER 44 HG SER 44 15.349 2.430 -4.949 356 H VAL 45 H VAL 45 13.410 4.628 -8.580 357 HA VAL 45 HA VAL 45 10.809 3.628 -9.511 358 HB VAL 45 HB VAL 45 10.709 5.485 -11.179 359 HG11 VAL 45 1HG1 VAL 45 9.352 5.552 -9.152 360 HG12 VAL 45 2HG1 VAL 45 9.859 7.172 -9.631 361 HG13 VAL 45 3HG1 VAL 45 10.664 6.355 -8.291 362 HG21 VAL 45 3HG2 VAL 45 12.878 6.707 -9.474 363 HG22 VAL 45 1HG2 VAL 45 12.012 7.515 -10.782 364 HG23 VAL 45 2HG2 VAL 45 13.062 6.142 -11.135 365 H ASP 46 H ASP 46 10.891 2.446 -11.358 366 HA ASP 46 HA ASP 46 13.418 2.421 -12.872 367 HB2 ASP 46 1HB ASP 46 11.914 0.065 -11.761 368 HB3 ASP 46 2HB ASP 46 12.894 -0.104 -13.217 369 H SER 47 H SER 47 13.139 2.727 -14.964 370 HA SER 47 HA SER 47 12.221 2.936 -17.018 371 HB2 SER 47 1HB SER 47 11.779 0.512 -16.808 372 HB3 SER 47 2HB SER 47 10.222 0.867 -16.063 373 HG SER 47 HG SER 47 11.069 1.425 -18.716 374 H ARG 48 H ARG 48 9.171 2.255 -15.378 375 HA ARG 48 HA ARG 48 8.487 5.066 -15.223 376 HB2 ARG 48 1HB ARG 48 7.872 4.320 -17.549 377 HB3 ARG 48 2HB ARG 48 6.764 3.163 -16.829 378 HG2 ARG 48 1HG ARG 48 5.518 5.009 -15.805 379 HG3 ARG 48 2HG ARG 48 6.619 6.158 -16.568 380 HD2 ARG 48 1HD ARG 48 4.535 5.922 -17.831 381 HD3 ARG 48 2HD ARG 48 5.931 5.389 -18.766 382 HE ARG 48 HE ARG 48 5.258 3.075 -18.176 383 HH11 ARG 48 1HH1 ARG 48 2.908 5.666 -18.053 384 HH12 ARG 48 2HH1 ARG 48 1.548 4.623 -18.332 385 HH21 ARG 48 1HH2 ARG 48 3.465 1.686 -18.524 386 HH22 ARG 48 2HH2 ARG 48 1.862 2.359 -18.609 387 H ALA 49 H ALA 49 8.800 2.336 -13.763 388 HA ALA 49 HA ALA 49 6.192 2.272 -12.414 389 HB1 ALA 49 3HB ALA 49 8.354 0.169 -12.467 390 HB2 ALA 49 1HB ALA 49 6.885 0.159 -13.442 391 HB3 ALA 49 2HB ALA 49 6.779 0.023 -11.687 392 H THR 50 H THR 50 6.110 3.254 -10.548 393 HA THR 50 HA THR 50 8.511 3.901 -9.065 394 HB THR 50 HB THR 50 5.641 4.449 -8.290 395 HG1 THR 50 HG1 THR 50 7.138 5.462 -10.349 396 HG21 THR 50 3HG2 THR 50 7.319 4.792 -6.528 397 HG22 THR 50 1HG2 THR 50 6.614 6.321 -7.055 398 HG23 THR 50 2HG2 THR 50 8.225 5.857 -7.604 399 H HIS 51 H HIS 51 9.205 2.858 -7.258 400 HA HIS 51 HA HIS 51 7.830 0.395 -6.546 401 HB2 HIS 51 1HB HIS 51 10.478 1.530 -5.617 402 HB3 HIS 51 2HB HIS 51 9.837 -0.042 -5.142 403 HD1 HIS 51 HD1 HIS 51 10.002 -1.953 -6.840 404 HD2 HIS 51 HD2 HIS 51 11.470 1.673 -8.246 405 HE1 HIS 51 HE1 HIS 51 11.295 -2.503 -8.926 406 HE2 HIS 51 HE2 HIS 51 12.404 -0.333 -9.580 407 H TYR 52 H TYR 52 6.301 0.439 -5.052 408 HA TYR 52 HA TYR 52 6.491 2.373 -2.865 409 HB2 TYR 52 1HB TYR 52 4.240 0.599 -3.818 410 HB3 TYR 52 2HB TYR 52 4.164 1.525 -2.317 411 HD1 TYR 52 HD1 TYR 52 4.171 1.735 -5.990 412 HD2 TYR 52 HD2 TYR 52 3.943 3.919 -2.347 413 HE1 TYR 52 HE1 TYR 52 3.400 3.716 -7.229 414 HE2 TYR 52 HE2 TYR 52 3.171 5.899 -3.576 415 HH TYR 52 HH TYR 52 2.053 5.818 -6.695 416 H GLN 53 H GLN 53 7.195 1.808 -0.946 417 HA GLN 53 HA GLN 53 7.514 -1.044 -0.329 418 HB2 GLN 53 1HB GLN 53 9.558 0.281 -0.227 419 HB3 GLN 53 2HB GLN 53 8.794 1.423 0.874 420 HG2 GLN 53 1HG GLN 53 8.606 -0.343 2.561 421 HG3 GLN 53 2HG GLN 53 9.399 -1.470 1.456 422 HE21 GLN 53 2HE2 GLN 53 11.591 -1.283 1.083 423 HE22 GLN 53 1HE2 GLN 53 12.624 -0.302 2.060 424 H ILE 54 H ILE 54 6.516 -1.962 1.389 425 HA ILE 54 HA ILE 54 4.266 -0.806 2.580 426 HB ILE 54 HB ILE 54 4.425 -2.645 4.258 427 HG12 ILE 54 1HG1 ILE 54 6.886 -3.443 2.685 428 HG13 ILE 54 2HG1 ILE 54 6.911 -2.766 4.311 429 HG21 ILE 54 1HG2 ILE 54 4.747 -3.448 1.372 430 HG22 ILE 54 2HG2 ILE 54 3.250 -2.923 2.146 431 HG23 ILE 54 3HG2 ILE 54 4.021 -4.430 2.645 432 HD11 ILE 54 3HD1 ILE 54 5.653 -4.697 5.122 433 HD12 ILE 54 1HD1 ILE 54 7.179 -5.166 4.372 434 HD13 ILE 54 2HD1 ILE 54 5.663 -5.378 3.494 435 H THR 55 H THR 55 4.015 0.607 4.166 436 HA THR 55 HA THR 55 6.357 1.313 5.798 437 HB THR 55 HB THR 55 3.846 2.949 5.780 438 HG1 THR 55 HG1 THR 55 5.326 2.307 3.583 439 HG21 THR 55 3HG2 THR 55 5.775 3.579 7.205 440 HG22 THR 55 1HG2 THR 55 5.427 4.796 5.976 441 HG23 THR 55 2HG2 THR 55 6.781 3.688 5.759 442 H GLU 56 H GLU 56 5.441 2.263 8.066 443 HA GLU 56 HA GLU 56 4.919 0.047 9.612 444 HB2 GLU 56 1HB GLU 56 4.321 1.656 11.421 445 HB3 GLU 56 2HB GLU 56 5.835 2.018 10.603 446 HG2 GLU 56 1HG GLU 56 4.836 3.801 9.384 447 HG3 GLU 56 2HG GLU 56 3.223 3.347 9.933 448 H ARG 57 H ARG 57 2.536 2.524 8.635 449 HA ARG 57 HA ARG 57 0.381 1.192 9.934 450 HB2 ARG 57 1HB ARG 57 0.310 3.318 7.785 451 HB3 ARG 57 2HB ARG 57 -1.058 2.814 8.776 452 HG2 ARG 57 1HG ARG 57 0.098 3.605 10.777 453 HG3 ARG 57 2HG ARG 57 1.466 4.113 9.784 454 HD2 ARG 57 1HD ARG 57 -0.079 5.607 8.532 455 HD3 ARG 57 2HD ARG 57 -1.356 5.168 9.670 456 HE ARG 57 HE ARG 57 0.458 6.064 11.360 457 HH11 ARG 57 1HH1 ARG 57 -0.525 7.383 8.270 458 HH12 ARG 57 2HH1 ARG 57 -0.135 9.025 8.698 459 HH21 ARG 57 1HH2 ARG 57 0.920 8.230 11.956 460 HH22 ARG 57 2HH2 ARG 57 0.654 9.513 10.798 461 H GLY 58 H GLY 58 1.831 1.016 6.793 462 HA2 GLY 58 1HA GLY 58 -0.321 -0.275 5.454 463 HA3 GLY 58 2HA GLY 58 1.363 -0.266 4.942 464 H THR 59 H THR 59 2.448 -1.438 7.296 465 HA THR 59 HA THR 59 1.952 -4.191 6.804 466 HB THR 59 HB THR 59 3.419 -2.924 9.129 467 HG1 THR 59 HG1 THR 59 5.210 -3.009 7.828 468 HG21 THR 59 3HG2 THR 59 2.855 -5.286 9.503 469 HG22 THR 59 1HG2 THR 59 4.589 -5.071 9.269 470 HG23 THR 59 2HG2 THR 59 3.595 -5.707 7.959 471 H SER 60 H SER 60 0.954 -1.910 9.283 472 HA SER 60 HA SER 60 -0.364 -3.778 10.948 473 HB2 SER 60 1HB SER 60 0.332 -1.564 11.740 474 HB3 SER 60 2HB SER 60 -0.807 -0.798 10.628 475 HG SER 60 HG SER 60 -1.635 -0.978 12.760 476 H ALA 61 H ALA 61 -1.427 -1.789 8.220 477 HA ALA 61 HA ALA 61 -4.188 -2.249 8.464 478 HB1 ALA 61 3HB ALA 61 -4.349 -1.479 6.164 479 HB2 ALA 61 1HB ALA 61 -2.608 -1.676 5.962 480 HB3 ALA 61 2HB ALA 61 -3.235 -0.468 7.084 481 H ALA 62 H ALA 62 -1.648 -4.130 6.939 482 HA ALA 62 HA ALA 62 -3.412 -5.964 5.635 483 HB1 ALA 62 3HB ALA 62 -1.125 -5.626 4.857 484 HB2 ALA 62 1HB ALA 62 -1.411 -7.317 5.273 485 HB3 ALA 62 2HB ALA 62 -0.507 -6.277 6.375 486 H LEU 63 H LEU 63 -2.167 -5.593 8.804 487 HA LEU 63 HA LEU 63 -2.849 -8.318 9.598 488 HB2 LEU 63 1HB LEU 63 -0.723 -7.210 10.339 489 HB3 LEU 63 2HB LEU 63 -1.695 -6.056 11.237 490 HG LEU 63 HG LEU 63 -2.606 -7.960 12.575 491 HD11 LEU 63 1HD1 LEU 63 -2.187 -9.742 10.964 492 HD12 LEU 63 2HD1 LEU 63 -1.425 -10.089 12.516 493 HD13 LEU 63 3HD1 LEU 63 -0.449 -9.520 11.162 494 HD21 LEU 63 3HD2 LEU 63 -0.799 -6.564 13.419 495 HD22 LEU 63 1HD2 LEU 63 0.386 -7.592 12.614 496 HD23 LEU 63 2HD2 LEU 63 -0.591 -8.238 13.933 497 H ARG 64 H ARG 64 -4.415 -5.490 9.144 498 HA ARG 64 HA ARG 64 -5.985 -5.451 11.579 499 HB2 ARG 64 1HB ARG 64 -5.188 -3.446 10.030 500 HB3 ARG 64 2HB ARG 64 -6.680 -3.810 9.180 501 HG2 ARG 64 1HG ARG 64 -6.505 -3.176 12.118 502 HG3 ARG 64 2HG ARG 64 -6.880 -2.003 10.858 503 HD2 ARG 64 1HD ARG 64 -8.852 -3.354 10.236 504 HD3 ARG 64 2HD ARG 64 -8.489 -4.454 11.566 505 HE ARG 64 HE ARG 64 -8.751 -1.695 12.356 506 HH11 ARG 64 1HH1 ARG 64 -10.470 -4.697 11.796 507 HH12 ARG 64 2HH1 ARG 64 -11.791 -4.278 12.844 508 HH21 ARG 64 1HH2 ARG 64 -10.501 -1.143 13.719 509 HH22 ARG 64 2HH2 ARG 64 -11.811 -2.269 13.925 510 H SER 65 H SER 65 -6.881 -7.548 11.377 511 HA SER 65 HA SER 65 -9.408 -7.509 10.004 512 HB2 SER 65 1HB SER 65 -7.829 -8.414 8.272 513 HB3 SER 65 2HB SER 65 -7.448 -9.738 9.372 514 HG SER 65 HG SER 65 -9.222 -9.954 7.655 Start of MODEL 11 1 H1 MET 1 1H MET 1 -11.792 7.436 6.859 2 H2 MET 1 2H MET 1 -10.725 6.153 6.585 3 H3 MET 1 3H MET 1 -12.311 6.069 5.998 4 HA MET 1 HA MET 1 -11.903 7.900 4.505 5 HB2 MET 1 1HB MET 1 -9.742 8.887 4.247 6 HB3 MET 1 2HB MET 1 -10.143 8.959 5.959 7 HG2 MET 1 1HG MET 1 -8.336 6.917 4.681 8 HG3 MET 1 2HG MET 1 -7.801 8.360 5.543 9 HE1 MET 1 3HE MET 1 -6.842 5.357 6.201 10 HE2 MET 1 1HE MET 1 -6.852 5.409 7.963 11 HE3 MET 1 2HE MET 1 -6.248 6.787 7.043 12 H ALA 2 H ALA 2 -10.374 4.928 5.336 13 HA ALA 2 HA ALA 2 -9.838 4.391 2.490 14 HB1 ALA 2 3HB ALA 2 -8.643 3.050 4.918 15 HB2 ALA 2 1HB ALA 2 -7.844 4.261 3.916 16 HB3 ALA 2 2HB ALA 2 -8.258 2.687 3.235 17 H THR 3 H THR 3 -10.791 2.652 1.546 18 HA THR 3 HA THR 3 -12.916 1.389 3.126 19 HB THR 3 HB THR 3 -13.589 2.575 1.058 20 HG1 THR 3 HG1 THR 3 -14.312 0.209 0.105 21 HG21 THR 3 3HG2 THR 3 -13.034 1.612 -1.134 22 HG22 THR 3 1HG2 THR 3 -11.950 0.464 -0.347 23 HG23 THR 3 2HG2 THR 3 -11.598 2.192 -0.292 24 H ALA 4 H ALA 4 -13.421 -0.927 2.073 25 HA ALA 4 HA ALA 4 -11.446 -2.653 3.006 26 HB1 ALA 4 3HB ALA 4 -13.646 -3.279 1.041 27 HB2 ALA 4 1HB ALA 4 -13.810 -3.264 2.796 28 HB3 ALA 4 2HB ALA 4 -12.759 -4.448 2.020 29 H ASP 5 H ASP 5 -11.991 -1.357 -0.193 30 HA ASP 5 HA ASP 5 -10.333 -3.071 -1.671 31 HB2 ASP 5 1HB ASP 5 -11.933 -1.491 -2.699 32 HB3 ASP 5 2HB ASP 5 -10.925 -0.143 -2.170 33 H ASP 6 H ASP 6 -9.633 -0.154 0.171 34 HA ASP 6 HA ASP 6 -6.938 0.112 -0.710 35 HB2 ASP 6 1HB ASP 6 -8.287 1.193 1.776 36 HB3 ASP 6 2HB ASP 6 -6.692 1.678 1.196 37 H PHE 7 H PHE 7 -8.425 -1.229 2.220 38 HA PHE 7 HA PHE 7 -6.102 -2.115 3.468 39 HB2 PHE 7 1HB PHE 7 -8.945 -3.100 3.542 40 HB3 PHE 7 2HB PHE 7 -7.678 -3.849 4.506 41 HD1 PHE 7 HD1 PHE 7 -6.631 -2.633 6.341 42 HD2 PHE 7 HD2 PHE 7 -9.824 -0.940 4.099 43 HE1 PHE 7 HE1 PHE 7 -6.981 -0.960 8.112 44 HE2 PHE 7 HE2 PHE 7 -10.178 0.739 5.862 45 HZ PHE 7 HZ PHE 7 -8.758 0.730 7.873 46 H LYS 8 H LYS 8 -8.120 -3.594 1.016 47 HA LYS 8 HA LYS 8 -6.863 -6.120 0.954 48 HB2 LYS 8 1HB LYS 8 -9.095 -5.557 -0.016 49 HB3 LYS 8 2HB LYS 8 -8.276 -4.663 -1.287 50 HG2 LYS 8 1HG LYS 8 -7.214 -6.713 -2.062 51 HG3 LYS 8 2HG LYS 8 -8.005 -7.616 -0.763 52 HD2 LYS 8 1HD LYS 8 -9.415 -6.100 -2.961 53 HD3 LYS 8 2HD LYS 8 -9.194 -7.849 -2.901 54 HE2 LYS 8 1HE LYS 8 -10.687 -6.211 -0.853 55 HE3 LYS 8 2HE LYS 8 -11.437 -7.141 -2.149 56 HZ1 LYS 8 3HZ LYS 8 -11.509 -8.422 -0.160 57 HZ2 LYS 8 1HZ LYS 8 -9.854 -8.204 0.130 58 HZ3 LYS 8 2HZ LYS 8 -10.365 -9.142 -1.185 59 H LEU 9 H LEU 9 -6.302 -3.110 -0.787 60 HA LEU 9 HA LEU 9 -4.372 -4.147 -2.585 61 HB2 LEU 9 1HB LEU 9 -5.742 -2.070 -2.903 62 HB3 LEU 9 2HB LEU 9 -4.734 -1.282 -1.701 63 HG LEU 9 HG LEU 9 -3.486 -2.478 -4.157 64 HD11 LEU 9 1HD1 LEU 9 -4.706 0.271 -3.951 65 HD12 LEU 9 2HD1 LEU 9 -5.322 -1.056 -4.936 66 HD13 LEU 9 3HD1 LEU 9 -3.748 -0.348 -5.297 67 HD21 LEU 9 3HD2 LEU 9 -2.774 -0.147 -2.374 68 HD22 LEU 9 1HD2 LEU 9 -1.851 -0.686 -3.779 69 HD23 LEU 9 2HD2 LEU 9 -2.006 -1.736 -2.371 70 H ILE 10 H ILE 10 -4.101 -2.382 0.487 71 HA ILE 10 HA ILE 10 -1.268 -2.261 0.444 72 HB ILE 10 HB ILE 10 -2.600 -0.732 1.832 73 HG12 ILE 10 1HG1 ILE 10 -1.204 -0.884 3.893 74 HG13 ILE 10 2HG1 ILE 10 -0.649 -2.465 3.353 75 HG21 ILE 10 1HG2 ILE 10 -3.558 -1.460 3.953 76 HG22 ILE 10 2HG2 ILE 10 -3.143 -3.131 3.571 77 HG23 ILE 10 3HG2 ILE 10 -4.327 -2.271 2.589 78 HD11 ILE 10 3HD1 ILE 10 0.338 -1.444 1.371 79 HD12 ILE 10 1HD1 ILE 10 0.982 -0.741 2.857 80 HD13 ILE 10 2HD1 ILE 10 -0.218 0.141 1.912 81 H ARG 11 H ARG 11 -3.560 -4.645 1.558 82 HA ARG 11 HA ARG 11 -1.757 -6.309 2.975 83 HB2 ARG 11 1HB ARG 11 -4.243 -6.473 3.071 84 HB3 ARG 11 2HB ARG 11 -4.236 -7.094 1.428 85 HG2 ARG 11 1HG ARG 11 -2.930 -9.029 2.177 86 HG3 ARG 11 2HG ARG 11 -2.985 -8.408 3.831 87 HD2 ARG 11 1HD ARG 11 -5.487 -8.440 3.651 88 HD3 ARG 11 2HD ARG 11 -5.300 -9.293 2.120 89 HE ARG 11 HE ARG 11 -4.199 -11.089 3.404 90 HH11 ARG 11 1HH1 ARG 11 -6.197 -8.771 5.062 91 HH12 ARG 11 2HH1 ARG 11 -6.580 -9.820 6.392 92 HH21 ARG 11 1HH2 ARG 11 -4.707 -12.519 5.131 93 HH22 ARG 11 2HH2 ARG 11 -5.745 -11.972 6.420 94 H ASP 12 H ASP 12 -2.721 -6.048 -0.383 95 HA ASP 12 HA ASP 12 -1.465 -8.339 -1.398 96 HB2 ASP 12 1HB ASP 12 -3.141 -7.024 -2.635 97 HB3 ASP 12 2HB ASP 12 -1.995 -5.689 -2.766 98 H ILE 13 H ILE 13 -0.269 -5.098 -0.762 99 HA ILE 13 HA ILE 13 2.177 -5.213 -2.074 100 HB ILE 13 HB ILE 13 1.856 -3.862 0.597 101 HG12 ILE 13 1HG1 ILE 13 -0.124 -3.302 -0.753 102 HG13 ILE 13 2HG1 ILE 13 0.931 -1.909 -0.556 103 HG21 ILE 13 1HG2 ILE 13 4.081 -3.858 -0.420 104 HG22 ILE 13 2HG2 ILE 13 3.401 -2.233 -0.353 105 HG23 ILE 13 3HG2 ILE 13 3.415 -3.120 -1.879 106 HD11 ILE 13 3HD1 ILE 13 0.739 -3.653 -2.995 107 HD12 ILE 13 1HD1 ILE 13 1.811 -2.267 -2.802 108 HD13 ILE 13 2HD1 ILE 13 0.064 -2.035 -2.805 109 H HIS 14 H HIS 14 1.239 -6.333 1.135 110 HA HIS 14 HA HIS 14 3.851 -7.050 1.984 111 HB2 HIS 14 1HB HIS 14 1.118 -7.898 2.944 112 HB3 HIS 14 2HB HIS 14 2.616 -8.418 3.712 113 HD1 HIS 14 HD1 HIS 14 3.973 -6.600 5.008 114 HD2 HIS 14 HD2 HIS 14 0.310 -5.333 3.503 115 HE1 HIS 14 HE1 HIS 14 3.512 -4.379 6.110 116 HE2 HIS 14 HE2 HIS 14 1.171 -3.782 5.380 117 H SER 15 H SER 15 1.184 -8.837 0.515 118 HA SER 15 HA SER 15 2.449 -11.367 0.597 119 HB2 SER 15 1HB SER 15 0.264 -10.390 -1.256 120 HB3 SER 15 2HB SER 15 0.677 -12.076 -0.933 121 HG SER 15 HG SER 15 0.295 -11.327 1.400 122 H THR 16 H THR 16 2.814 -8.647 -1.481 123 HA THR 16 HA THR 16 4.061 -10.098 -3.633 124 HB THR 16 HB THR 16 4.140 -7.124 -3.051 125 HG1 THR 16 HG1 THR 16 1.983 -7.909 -3.342 126 HG21 THR 16 3HG2 THR 16 5.857 -7.876 -4.636 127 HG22 THR 16 1HG2 THR 16 4.625 -6.900 -5.438 128 HG23 THR 16 2HG2 THR 16 4.613 -8.654 -5.613 129 H GLY 17 H GLY 17 5.023 -8.918 -0.568 130 HA2 GLY 17 1HA GLY 17 7.224 -9.930 0.110 131 HA3 GLY 17 2HA GLY 17 7.868 -9.154 -1.332 132 H GLY 18 H GLY 18 5.522 -7.210 0.089 133 HA2 GLY 18 1HA GLY 18 5.660 -5.521 1.725 134 HA3 GLY 18 2HA GLY 18 7.369 -5.902 1.938 135 H ARG 19 H ARG 19 6.680 -5.776 -1.278 136 HA ARG 19 HA ARG 19 7.017 -2.905 -1.598 137 HB2 ARG 19 1HB ARG 19 8.936 -3.285 -3.175 138 HB3 ARG 19 2HB ARG 19 9.316 -3.629 -1.488 139 HG2 ARG 19 1HG ARG 19 9.024 -6.011 -1.899 140 HG3 ARG 19 2HG ARG 19 8.614 -5.679 -3.580 141 HD2 ARG 19 1HD ARG 19 10.919 -6.395 -3.401 142 HD3 ARG 19 2HD ARG 19 10.841 -4.712 -3.919 143 HE ARG 19 HE ARG 19 11.128 -4.449 -1.266 144 HH11 ARG 19 1HH1 ARG 19 12.807 -6.490 -3.563 145 HH12 ARG 19 2HH1 ARG 19 14.333 -6.386 -2.738 146 HH21 ARG 19 1HH2 ARG 19 13.136 -4.328 -0.161 147 HH22 ARG 19 2HH2 ARG 19 14.511 -5.190 -0.784 148 H ARG 20 H ARG 20 6.133 -2.180 -3.527 149 HA ARG 20 HA ARG 20 5.420 -4.175 -5.551 150 HB2 ARG 20 1HB ARG 20 3.500 -3.790 -3.963 151 HB3 ARG 20 2HB ARG 20 3.482 -2.113 -4.496 152 HG2 ARG 20 1HG ARG 20 1.793 -3.231 -5.715 153 HG3 ARG 20 2HG ARG 20 3.136 -2.997 -6.839 154 HD2 ARG 20 1HD ARG 20 3.891 -5.316 -6.296 155 HD3 ARG 20 2HD ARG 20 2.411 -5.520 -5.357 156 HE ARG 20 HE ARG 20 1.902 -4.679 -8.043 157 HH11 ARG 20 1HH1 ARG 20 2.490 -7.453 -5.991 158 HH12 ARG 20 2HH1 ARG 20 1.847 -8.594 -7.133 159 HH21 ARG 20 1HH2 ARG 20 1.032 -6.166 -9.535 160 HH22 ARG 20 2HH2 ARG 20 1.004 -7.863 -9.144 161 H GLN 21 H GLN 21 5.862 -3.430 -7.576 162 HA GLN 21 HA GLN 21 6.317 -0.530 -7.826 163 HB2 GLN 21 1HB GLN 21 8.005 -1.039 -9.568 164 HB3 GLN 21 2HB GLN 21 8.437 -1.666 -7.983 165 HG2 GLN 21 1HG GLN 21 7.762 -3.894 -8.649 166 HG3 GLN 21 2HG GLN 21 7.238 -3.284 -10.221 167 HE21 GLN 21 2HE2 GLN 21 9.511 -1.443 -10.423 168 HE22 GLN 21 1HE2 GLN 21 10.888 -2.430 -10.807 169 H VAL 22 H VAL 22 4.909 0.453 -9.033 170 HA VAL 22 HA VAL 22 3.581 -1.045 -11.203 171 HB VAL 22 HB VAL 22 2.523 1.393 -9.756 172 HG11 VAL 22 1HG1 VAL 22 0.404 0.830 -10.822 173 HG12 VAL 22 2HG1 VAL 22 1.167 -0.535 -11.637 174 HG13 VAL 22 3HG1 VAL 22 1.662 1.113 -12.025 175 HG21 VAL 22 3HG2 VAL 22 2.670 -0.497 -8.221 176 HG22 VAL 22 1HG2 VAL 22 1.784 -1.506 -9.366 177 HG23 VAL 22 2HG2 VAL 22 0.989 -0.125 -8.609 178 H PHE 23 H PHE 23 3.763 -0.271 -13.247 179 HA PHE 23 HA PHE 23 5.675 1.787 -13.737 180 HB2 PHE 23 1HB PHE 23 5.294 1.326 -16.112 181 HB3 PHE 23 2HB PHE 23 5.531 -0.160 -15.202 182 HD1 PHE 23 HD1 PHE 23 3.647 -1.679 -14.796 183 HD2 PHE 23 HD2 PHE 23 3.229 1.802 -17.208 184 HE1 PHE 23 HE1 PHE 23 1.562 -2.585 -15.738 185 HE2 PHE 23 HE2 PHE 23 1.143 0.904 -18.152 186 HZ PHE 23 HZ PHE 23 0.307 -1.292 -17.417 187 H GLY 24 H GLY 24 2.249 1.784 -13.413 188 HA2 GLY 24 1HA GLY 24 1.855 4.428 -13.166 189 HA3 GLY 24 2HA GLY 24 1.908 4.239 -14.915 190 H SER 25 H SER 25 -0.030 4.213 -15.766 191 HA SER 25 HA SER 25 -2.270 3.981 -16.066 192 HB2 SER 25 1HB SER 25 -2.041 1.657 -14.136 193 HB3 SER 25 2HB SER 25 -3.333 1.931 -15.303 194 HG SER 25 HG SER 25 -1.262 0.498 -15.722 195 H ARG 26 H ARG 26 -4.463 3.654 -14.626 196 HA ARG 26 HA ARG 26 -4.314 5.698 -12.592 197 HB2 ARG 26 1HB ARG 26 -6.300 5.422 -14.105 198 HB3 ARG 26 2HB ARG 26 -6.668 3.921 -13.263 199 HG2 ARG 26 1HG ARG 26 -6.710 5.303 -11.133 200 HG3 ARG 26 2HG ARG 26 -6.717 6.719 -12.183 201 HD2 ARG 26 1HD ARG 26 -8.759 5.899 -13.257 202 HD3 ARG 26 2HD ARG 26 -8.754 4.499 -12.184 203 HE ARG 26 HE ARG 26 -9.205 7.292 -11.368 204 HH11 ARG 26 1HH1 ARG 26 -9.441 3.858 -10.740 205 HH12 ARG 26 2HH1 ARG 26 -10.334 4.052 -9.270 206 HH21 ARG 26 1HH2 ARG 26 -10.402 7.562 -9.458 207 HH22 ARG 26 2HH2 ARG 26 -10.924 6.170 -8.555 208 H GLU 27 H GLU 27 -4.023 2.332 -12.757 209 HA GLU 27 HA GLU 27 -4.915 1.481 -10.267 210 HB2 GLU 27 1HB GLU 27 -2.608 0.439 -11.919 211 HB3 GLU 27 2HB GLU 27 -3.377 -0.420 -10.589 212 HG2 GLU 27 1HG GLU 27 -5.503 -0.389 -11.830 213 HG3 GLU 27 2HG GLU 27 -4.677 0.395 -13.179 214 H GLN 28 H GLN 28 -2.122 3.306 -11.138 215 HA GLN 28 HA GLN 28 -0.633 2.809 -8.743 216 HB2 GLN 28 1HB GLN 28 0.439 3.468 -10.861 217 HB3 GLN 28 2HB GLN 28 -0.370 5.031 -10.778 218 HG2 GLN 28 1HG GLN 28 0.853 5.598 -8.779 219 HG3 GLN 28 2HG GLN 28 1.594 3.999 -8.744 220 HE21 GLN 28 2HE2 GLN 28 3.192 3.494 -10.224 221 HE22 GLN 28 1HE2 GLN 28 4.042 4.713 -11.111 222 H LYS 29 H LYS 29 -3.271 4.867 -9.550 223 HA LYS 29 HA LYS 29 -2.759 7.094 -7.945 224 HB2 LYS 29 1HB LYS 29 -4.571 6.902 -9.673 225 HB3 LYS 29 2HB LYS 29 -5.493 5.942 -8.529 226 HG2 LYS 29 1HG LYS 29 -4.548 8.696 -7.820 227 HG3 LYS 29 2HG LYS 29 -6.019 8.447 -8.758 228 HD2 LYS 29 1HD LYS 29 -6.972 7.114 -6.961 229 HD3 LYS 29 2HD LYS 29 -5.476 7.258 -6.034 230 HE2 LYS 29 1HE LYS 29 -5.786 9.666 -5.880 231 HE3 LYS 29 2HE LYS 29 -7.246 9.557 -6.862 232 HZ1 LYS 29 3HZ LYS 29 -6.859 8.358 -4.167 233 HZ2 LYS 29 1HZ LYS 29 -8.256 8.203 -5.116 234 HZ3 LYS 29 2HZ LYS 29 -7.790 9.723 -4.528 235 HA PRO 30 HA PRO 30 -5.208 4.869 -4.328 236 HB2 PRO 30 1HB PRO 30 -4.879 2.122 -4.403 237 HB3 PRO 30 2HB PRO 30 -6.360 2.986 -4.834 238 HG2 PRO 30 1HG PRO 30 -4.211 1.900 -6.599 239 HG3 PRO 30 2HG PRO 30 -5.965 1.928 -6.851 240 HD2 PRO 30 1HD PRO 30 -4.346 3.653 -8.109 241 HD3 PRO 30 2HD PRO 30 -5.958 4.143 -7.541 242 H PHE 31 H PHE 31 -2.282 3.654 -5.831 243 HA PHE 31 HA PHE 31 -1.005 2.816 -3.446 244 HB2 PHE 31 1HB PHE 31 -0.008 3.525 -6.195 245 HB3 PHE 31 2HB PHE 31 1.109 3.139 -4.888 246 HD1 PHE 31 HD2 PHE 31 -1.845 1.787 -6.692 247 HD2 PHE 31 HD1 PHE 31 1.691 0.949 -4.486 248 HE1 PHE 31 HE2 PHE 31 -2.116 -0.608 -7.176 249 HE2 PHE 31 HE1 PHE 31 1.429 -1.446 -4.967 250 HZ PHE 31 HZ PHE 31 -0.477 -2.228 -6.313 251 H GLU 32 H GLU 32 -0.743 5.786 -5.380 252 HA GLU 32 HA GLU 32 0.986 7.064 -3.497 253 HB2 GLU 32 1HB GLU 32 0.536 9.118 -4.821 254 HB3 GLU 32 2HB GLU 32 1.086 7.764 -5.794 255 HG2 GLU 32 1HG GLU 32 -1.170 7.347 -6.546 256 HG3 GLU 32 2HG GLU 32 -1.776 8.632 -5.502 257 H ASP 33 H ASP 33 -2.424 6.751 -3.893 258 HA ASP 33 HA ASP 33 -3.290 8.790 -2.148 259 HB2 ASP 33 1HB ASP 33 -4.740 7.432 -3.706 260 HB3 ASP 33 2HB ASP 33 -4.595 6.092 -2.570 261 H LEU 34 H LEU 34 -2.471 5.383 -1.607 262 HA LEU 34 HA LEU 34 -2.841 5.423 1.196 263 HB2 LEU 34 1HB LEU 34 -1.577 3.592 -0.753 264 HB3 LEU 34 2HB LEU 34 -1.015 3.464 0.907 265 HG LEU 34 HG LEU 34 -3.326 3.037 1.650 266 HD11 LEU 34 1HD1 LEU 34 -3.980 3.089 -1.290 267 HD12 LEU 34 2HD1 LEU 34 -4.537 4.243 -0.074 268 HD13 LEU 34 3HD1 LEU 34 -5.067 2.562 -0.003 269 HD21 LEU 34 3HD2 LEU 34 -3.532 0.796 0.699 270 HD22 LEU 34 1HD2 LEU 34 -1.859 1.169 1.115 271 HD23 LEU 34 2HD2 LEU 34 -2.383 1.228 -0.568 272 H VAL 35 H VAL 35 -0.196 6.417 -0.845 273 HA VAL 35 HA VAL 35 1.818 6.617 1.101 274 HB VAL 35 HB VAL 35 1.340 8.390 -1.303 275 HG11 VAL 35 1HG1 VAL 35 3.812 8.095 0.403 276 HG12 VAL 35 2HG1 VAL 35 2.767 9.512 0.328 277 HG13 VAL 35 3HG1 VAL 35 3.697 9.027 -1.089 278 HG21 VAL 35 3HG2 VAL 35 3.065 7.017 -2.365 279 HG22 VAL 35 1HG2 VAL 35 1.678 6.045 -1.870 280 HG23 VAL 35 2HG2 VAL 35 3.160 6.019 -0.914 281 H ASP 36 H ASP 36 -0.747 8.852 0.157 282 HA ASP 36 HA ASP 36 -0.067 10.938 1.938 283 HB2 ASP 36 1HB ASP 36 -1.601 11.274 0.045 284 HB3 ASP 36 2HB ASP 36 -2.776 10.196 0.800 285 H LEU 37 H LEU 37 -2.113 8.091 2.243 286 HA LEU 37 HA LEU 37 -3.091 8.644 4.843 287 HB2 LEU 37 1HB LEU 37 -2.706 5.984 3.463 288 HB3 LEU 37 2HB LEU 37 -3.695 6.268 4.884 289 HG LEU 37 HG LEU 37 -4.200 7.399 2.130 290 HD11 LEU 37 1HD1 LEU 37 -6.143 5.922 2.133 291 HD12 LEU 37 2HD1 LEU 37 -5.653 5.271 3.697 292 HD13 LEU 37 3HD1 LEU 37 -4.642 5.007 2.277 293 HD21 LEU 37 3HD2 LEU 37 -6.315 8.189 3.077 294 HD22 LEU 37 1HD2 LEU 37 -4.929 8.936 3.871 295 HD23 LEU 37 2HD2 LEU 37 -5.809 7.632 4.671 296 H GLY 38 H GLY 38 -0.124 7.362 3.625 297 HA2 GLY 38 1HA GLY 38 1.868 7.343 4.904 298 HA3 GLY 38 2HA GLY 38 0.897 7.200 6.366 299 H TRP 39 H TRP 39 -0.116 5.168 3.852 300 HA TRP 39 HA TRP 39 0.785 2.846 5.363 301 HB2 TRP 39 1HB TRP 39 -1.128 3.163 3.047 302 HB3 TRP 39 2HB TRP 39 -0.710 1.604 3.759 303 HD1 TRP 39 HD1 TRP 39 -0.944 4.096 6.466 304 HE1 TRP 39 HE1 TRP 39 -3.205 3.909 7.685 305 HE3 TRP 39 HE3 TRP 39 -3.427 1.143 3.112 306 HZ2 TRP 39 HZ2 TRP 39 -5.688 2.690 7.274 307 HZ3 TRP 39 HZ3 TRP 39 -5.752 0.509 3.603 308 HH2 TRP 39 HH2 TRP 39 -6.863 1.269 5.642 309 H LEU 40 H LEU 40 1.216 4.362 2.251 310 HA LEU 40 HA LEU 40 3.300 2.378 1.621 311 HB2 LEU 40 1HB LEU 40 1.419 3.877 -0.190 312 HB3 LEU 40 2HB LEU 40 2.901 3.154 -0.789 313 HG LEU 40 HG LEU 40 0.668 1.638 0.561 314 HD11 LEU 40 1HD1 LEU 40 1.418 1.855 -2.351 315 HD12 LEU 40 2HD1 LEU 40 -0.048 2.482 -1.596 316 HD13 LEU 40 3HD1 LEU 40 0.224 0.742 -1.682 317 HD21 LEU 40 3HD2 LEU 40 3.162 0.705 -0.858 318 HD22 LEU 40 1HD2 LEU 40 1.880 -0.338 -0.243 319 HD23 LEU 40 2HD2 LEU 40 2.857 0.612 0.876 320 H LYS 41 H LYS 41 5.177 3.162 0.556 321 HA LYS 41 HA LYS 41 5.478 6.065 0.407 322 HB2 LYS 41 1HB LYS 41 6.476 5.475 2.554 323 HB3 LYS 41 2HB LYS 41 7.453 4.229 1.782 324 HG2 LYS 41 1HG LYS 41 8.785 6.204 2.238 325 HG3 LYS 41 2HG LYS 41 8.633 5.949 0.496 326 HD2 LYS 41 1HD LYS 41 6.695 7.595 0.579 327 HD3 LYS 41 2HD LYS 41 7.230 7.986 2.214 328 HE2 LYS 41 1HE LYS 41 8.889 8.227 -0.294 329 HE3 LYS 41 2HE LYS 41 8.120 9.560 0.562 330 HZ1 LYS 41 3HZ LYS 41 9.495 8.970 2.517 331 HZ2 LYS 41 1HZ LYS 41 10.404 9.472 1.176 332 HZ3 LYS 41 2HZ LYS 41 10.312 7.825 1.564 333 H ARG 42 H ARG 42 5.890 6.438 -1.640 334 HA ARG 42 HA ARG 42 7.248 4.594 -3.346 335 HB2 ARG 42 1HB ARG 42 7.247 6.616 -4.922 336 HB3 ARG 42 2HB ARG 42 5.683 5.965 -4.448 337 HG2 ARG 42 1HG ARG 42 5.482 7.749 -2.764 338 HG3 ARG 42 2HG ARG 42 7.023 8.416 -3.314 339 HD2 ARG 42 1HD ARG 42 6.114 8.848 -5.497 340 HD3 ARG 42 2HD ARG 42 4.613 8.023 -5.081 341 HE ARG 42 HE ARG 42 5.035 10.130 -3.261 342 HH11 ARG 42 1HH1 ARG 42 4.261 9.609 -6.640 343 HH12 ARG 42 2HH1 ARG 42 3.347 11.072 -6.789 344 HH21 ARG 42 1HH2 ARG 42 3.812 12.077 -3.463 345 HH22 ARG 42 2HH2 ARG 42 3.095 12.469 -5.005 346 H SER 43 H SER 43 9.363 4.244 -3.260 347 HA SER 43 HA SER 43 11.017 6.218 -1.880 348 HB2 SER 43 1HB SER 43 10.924 3.761 -1.192 349 HB3 SER 43 2HB SER 43 11.822 3.416 -2.668 350 HG SER 43 HG SER 43 13.343 5.113 -1.779 351 H SER 44 H SER 44 10.887 4.371 -4.902 352 HA SER 44 HA SER 44 12.423 6.371 -6.257 353 HB2 SER 44 1HB SER 44 14.202 4.677 -6.953 354 HB3 SER 44 2HB SER 44 14.302 5.299 -5.306 355 HG SER 44 HG SER 44 14.120 3.336 -4.637 356 H VAL 45 H VAL 45 12.617 5.968 -8.547 357 HA VAL 45 HA VAL 45 10.805 3.867 -9.542 358 HB VAL 45 HB VAL 45 10.110 5.337 -11.360 359 HG11 VAL 45 1HG1 VAL 45 8.768 5.342 -9.336 360 HG12 VAL 45 2HG1 VAL 45 8.764 6.937 -10.089 361 HG13 VAL 45 3HG1 VAL 45 9.759 6.636 -8.664 362 HG21 VAL 45 3HG2 VAL 45 11.767 7.470 -10.014 363 HG22 VAL 45 1HG2 VAL 45 10.695 7.710 -11.394 364 HG23 VAL 45 2HG2 VAL 45 12.128 6.696 -11.558 365 H ASP 46 H ASP 46 11.432 2.804 -11.421 366 HA ASP 46 HA ASP 46 13.932 3.700 -12.674 367 HB2 ASP 46 1HB ASP 46 14.669 1.398 -12.992 368 HB3 ASP 46 2HB ASP 46 14.444 1.735 -11.278 369 H SER 47 H SER 47 13.681 4.141 -14.708 370 HA SER 47 HA SER 47 12.844 4.315 -16.810 371 HB2 SER 47 1HB SER 47 11.257 1.801 -16.219 372 HB3 SER 47 2HB SER 47 11.544 2.509 -17.808 373 HG SER 47 HG SER 47 13.141 0.888 -16.298 374 H ARG 48 H ARG 48 10.276 3.125 -14.674 375 HA ARG 48 HA ARG 48 9.002 5.588 -14.348 376 HB2 ARG 48 1HB ARG 48 6.913 5.219 -15.604 377 HB3 ARG 48 2HB ARG 48 8.301 5.405 -16.665 378 HG2 ARG 48 1HG ARG 48 8.375 3.020 -17.046 379 HG3 ARG 48 2HG ARG 48 7.051 2.776 -15.902 380 HD2 ARG 48 1HD ARG 48 5.551 4.038 -17.311 381 HD3 ARG 48 2HD ARG 48 6.868 4.426 -18.417 382 HE ARG 48 HE ARG 48 6.821 1.704 -18.366 383 HH11 ARG 48 1HH1 ARG 48 4.401 4.158 -18.991 384 HH12 ARG 48 2HH1 ARG 48 3.560 3.205 -20.179 385 HH21 ARG 48 1HH2 ARG 48 5.726 0.445 -19.896 386 HH22 ARG 48 2HH2 ARG 48 4.299 1.067 -20.674 387 H ALA 49 H ALA 49 9.208 2.200 -14.089 388 HA ALA 49 HA ALA 49 6.972 1.591 -12.539 389 HB1 ALA 49 3HB ALA 49 8.247 -0.319 -11.733 390 HB2 ALA 49 1HB ALA 49 9.737 0.401 -12.343 391 HB3 ALA 49 2HB ALA 49 8.477 -0.108 -13.469 392 H THR 50 H THR 50 6.352 2.478 -10.733 393 HA THR 50 HA THR 50 8.278 3.867 -9.042 394 HB THR 50 HB THR 50 5.263 3.816 -8.820 395 HG1 THR 50 HG1 THR 50 6.737 4.776 -10.793 396 HG21 THR 50 3HG2 THR 50 6.442 4.656 -6.835 397 HG22 THR 50 1HG2 THR 50 5.584 5.955 -7.661 398 HG23 THR 50 2HG2 THR 50 7.331 5.797 -7.843 399 H HIS 51 H HIS 51 9.022 3.009 -7.213 400 HA HIS 51 HA HIS 51 7.945 0.446 -6.342 401 HB2 HIS 51 1HB HIS 51 10.414 1.978 -5.483 402 HB3 HIS 51 2HB HIS 51 9.953 0.398 -4.853 403 HD1 HIS 51 HD1 HIS 51 11.115 -1.478 -5.963 404 HD2 HIS 51 HD2 HIS 51 10.733 1.814 -8.480 405 HE1 HIS 51 HE1 HIS 51 12.302 -2.105 -8.096 406 HE2 HIS 51 HE2 HIS 51 11.974 -0.132 -9.644 407 H TYR 52 H TYR 52 6.370 0.438 -4.915 408 HA TYR 52 HA TYR 52 6.345 2.462 -2.784 409 HB2 TYR 52 1HB TYR 52 4.186 0.604 -3.806 410 HB3 TYR 52 2HB TYR 52 4.006 1.621 -2.375 411 HD1 TYR 52 HD2 TYR 52 3.785 4.027 -2.581 412 HD2 TYR 52 HD1 TYR 52 4.173 1.577 -6.037 413 HE1 TYR 52 HE2 TYR 52 3.030 5.899 -3.989 414 HE2 TYR 52 HE1 TYR 52 3.416 3.441 -7.452 415 HH TYR 52 HH TYR 52 2.039 5.519 -7.170 416 H GLN 53 H GLN 53 7.133 1.876 -0.891 417 HA GLN 53 HA GLN 53 7.356 -0.991 -0.281 418 HB2 GLN 53 1HB GLN 53 9.439 0.370 -0.313 419 HB3 GLN 53 2HB GLN 53 8.782 1.360 0.987 420 HG2 GLN 53 1HG GLN 53 8.701 -0.631 2.430 421 HG3 GLN 53 2HG GLN 53 9.432 -1.577 1.128 422 HE21 GLN 53 2HE2 GLN 53 11.587 -1.222 0.586 423 HE22 GLN 53 1HE2 GLN 53 12.671 -0.393 1.647 424 H ILE 54 H ILE 54 6.705 -1.788 1.739 425 HA ILE 54 HA ILE 54 4.399 -0.583 2.880 426 HB ILE 54 HB ILE 54 4.538 -2.389 4.577 427 HG12 ILE 54 1HG1 ILE 54 7.007 -3.232 3.040 428 HG13 ILE 54 2HG1 ILE 54 7.019 -2.530 4.654 429 HG21 ILE 54 1HG2 ILE 54 4.137 -4.222 3.007 430 HG22 ILE 54 2HG2 ILE 54 4.857 -3.265 1.711 431 HG23 ILE 54 3HG2 ILE 54 3.363 -2.728 2.478 432 HD11 ILE 54 3HD1 ILE 54 5.784 -4.442 5.504 433 HD12 ILE 54 1HD1 ILE 54 7.280 -4.948 4.717 434 HD13 ILE 54 2HD1 ILE 54 5.736 -5.141 3.885 435 H THR 55 H THR 55 4.099 0.562 4.714 436 HA THR 55 HA THR 55 6.482 1.328 6.267 437 HB THR 55 HB THR 55 5.168 3.253 7.031 438 HG1 THR 55 HG1 THR 55 3.074 3.565 5.957 439 HG21 THR 55 3HG2 THR 55 6.453 3.506 4.958 440 HG22 THR 55 1HG2 THR 55 4.973 4.463 4.905 441 HG23 THR 55 2HG2 THR 55 5.070 2.939 4.025 442 H GLU 56 H GLU 56 5.543 2.087 8.615 443 HA GLU 56 HA GLU 56 4.770 -0.208 10.035 444 HB2 GLU 56 1HB GLU 56 5.871 1.810 11.018 445 HB3 GLU 56 2HB GLU 56 4.360 2.687 10.831 446 HG2 GLU 56 1HG GLU 56 4.547 1.990 13.097 447 HG3 GLU 56 2HG GLU 56 3.280 1.032 12.332 448 H ARG 57 H ARG 57 2.917 2.579 8.897 449 HA ARG 57 HA ARG 57 0.419 1.823 9.953 450 HB2 ARG 57 1HB ARG 57 0.992 3.527 7.521 451 HB3 ARG 57 2HB ARG 57 -0.528 3.472 8.411 452 HG2 ARG 57 1HG ARG 57 2.099 4.382 9.565 453 HG3 ARG 57 2HG ARG 57 0.855 5.455 8.920 454 HD2 ARG 57 1HD ARG 57 -0.708 4.734 10.595 455 HD3 ARG 57 2HD ARG 57 0.417 3.502 11.175 456 HE ARG 57 HE ARG 57 1.366 6.250 11.270 457 HH11 ARG 57 1HH1 ARG 57 -0.181 3.625 12.991 458 HH12 ARG 57 2HH1 ARG 57 0.250 4.222 14.565 459 HH21 ARG 57 1HH2 ARG 57 1.926 7.060 13.338 460 HH22 ARG 57 2HH2 ARG 57 1.461 6.171 14.759 461 H GLY 58 H GLY 58 1.966 1.224 6.838 462 HA2 GLY 58 1HA GLY 58 -0.257 -0.047 5.624 463 HA3 GLY 58 2HA GLY 58 1.425 -0.209 5.123 464 H THR 59 H THR 59 2.253 -1.187 7.768 465 HA THR 59 HA THR 59 1.717 -3.958 7.348 466 HB THR 59 HB THR 59 3.094 -2.658 9.706 467 HG1 THR 59 HG1 THR 59 4.232 -2.095 7.873 468 HG21 THR 59 3HG2 THR 59 2.440 -4.989 10.106 469 HG22 THR 59 1HG2 THR 59 4.191 -4.843 9.949 470 HG23 THR 59 2HG2 THR 59 3.236 -5.474 8.608 471 H SER 60 H SER 60 0.748 -1.583 9.798 472 HA SER 60 HA SER 60 -0.713 -3.411 11.376 473 HB2 SER 60 1HB SER 60 -1.763 -1.243 12.266 474 HB3 SER 60 2HB SER 60 -0.015 -1.427 12.435 475 HG SER 60 HG SER 60 -1.483 0.260 10.734 476 H ALA 61 H ALA 61 -1.550 -1.445 8.590 477 HA ALA 61 HA ALA 61 -4.361 -1.646 8.829 478 HB1 ALA 61 3HB ALA 61 -4.427 -0.898 6.516 479 HB2 ALA 61 1HB ALA 61 -2.702 -1.228 6.346 480 HB3 ALA 61 2HB ALA 61 -3.255 0.038 7.445 481 H ALA 62 H ALA 62 -2.006 -3.586 7.009 482 HA ALA 62 HA ALA 62 -3.988 -5.186 5.739 483 HB1 ALA 62 3HB ALA 62 -1.050 -5.738 6.091 484 HB2 ALA 62 1HB ALA 62 -1.774 -4.826 4.767 485 HB3 ALA 62 2HB ALA 62 -2.135 -6.541 4.957 486 H LEU 63 H LEU 63 -1.963 -5.614 8.596 487 HA LEU 63 HA LEU 63 -2.759 -8.305 9.094 488 HB2 LEU 63 1HB LEU 63 -0.671 -7.288 9.962 489 HB3 LEU 63 2HB LEU 63 -1.632 -6.258 11.012 490 HG LEU 63 HG LEU 63 -2.469 -8.263 12.187 491 HD11 LEU 63 1HD1 LEU 63 -0.526 -9.742 10.419 492 HD12 LEU 63 2HD1 LEU 63 -2.284 -9.869 10.368 493 HD13 LEU 63 3HD1 LEU 63 -1.401 -10.428 11.788 494 HD21 LEU 63 3HD2 LEU 63 -0.522 -7.074 13.042 495 HD22 LEU 63 1HD2 LEU 63 0.536 -8.060 12.032 496 HD23 LEU 63 2HD2 LEU 63 -0.382 -8.806 13.341 497 H ARG 64 H ARG 64 -4.101 -5.210 9.777 498 HA ARG 64 HA ARG 64 -5.889 -5.896 11.851 499 HB2 ARG 64 1HB ARG 64 -5.485 -3.605 11.515 500 HB3 ARG 64 2HB ARG 64 -5.785 -3.712 9.790 501 HG2 ARG 64 1HG ARG 64 -8.172 -4.054 10.235 502 HG3 ARG 64 2HG ARG 64 -7.855 -3.908 11.966 503 HD2 ARG 64 1HD ARG 64 -7.187 -1.651 11.751 504 HD3 ARG 64 2HD ARG 64 -7.097 -1.773 9.994 505 HE ARG 64 HE ARG 64 -9.579 -2.037 10.063 506 HH11 ARG 64 1HH1 ARG 64 -7.905 -0.514 12.742 507 HH12 ARG 64 2HH1 ARG 64 -9.230 0.543 13.135 508 HH21 ARG 64 1HH2 ARG 64 -11.321 -0.621 10.564 509 HH22 ARG 64 2HH2 ARG 64 -11.152 0.504 11.886 510 H SER 65 H SER 65 -5.976 -6.316 8.402 511 HA SER 65 HA SER 65 -8.805 -6.666 8.202 512 HB2 SER 65 1HB SER 65 -6.629 -7.467 6.256 513 HB3 SER 65 2HB SER 65 -8.350 -7.322 5.896 514 HG SER 65 HG SER 65 -6.662 -5.204 6.770 Start of MODEL 12 1 H1 MET 1 1H MET 1 -10.062 6.100 6.914 2 H2 MET 1 2H MET 1 -11.735 6.287 6.730 3 H3 MET 1 3H MET 1 -10.801 7.565 7.338 4 HA MET 1 HA MET 1 -11.424 7.933 5.036 5 HB2 MET 1 1HB MET 1 -8.511 7.473 5.662 6 HB3 MET 1 2HB MET 1 -9.036 8.158 4.127 7 HG2 MET 1 1HG MET 1 -9.632 9.323 6.840 8 HG3 MET 1 2HG MET 1 -8.345 9.862 5.755 9 HE1 MET 1 3HE MET 1 -10.540 11.831 6.959 10 HE2 MET 1 1HE MET 1 -10.924 12.794 5.533 11 HE3 MET 1 2HE MET 1 -9.252 12.345 5.869 12 H ALA 2 H ALA 2 -9.216 5.168 5.353 13 HA ALA 2 HA ALA 2 -9.765 4.319 2.647 14 HB1 ALA 2 3HB ALA 2 -7.528 4.051 3.574 15 HB2 ALA 2 1HB ALA 2 -8.221 2.487 3.149 16 HB3 ALA 2 2HB ALA 2 -8.165 2.997 4.836 17 H THR 3 H THR 3 -10.839 2.453 2.034 18 HA THR 3 HA THR 3 -12.702 1.395 4.051 19 HB THR 3 HB THR 3 -13.749 2.390 2.055 20 HG1 THR 3 HG1 THR 3 -15.096 0.613 1.585 21 HG21 THR 3 3HG2 THR 3 -13.535 1.295 -0.133 22 HG22 THR 3 1HG2 THR 3 -12.297 0.227 0.529 23 HG23 THR 3 2HG2 THR 3 -11.997 1.961 0.417 24 H ALA 4 H ALA 4 -13.366 -1.009 3.311 25 HA ALA 4 HA ALA 4 -11.172 -2.610 4.021 26 HB1 ALA 4 3HB ALA 4 -12.624 -4.506 3.623 27 HB2 ALA 4 1HB ALA 4 -13.738 -3.489 2.708 28 HB3 ALA 4 2HB ALA 4 -13.517 -3.221 4.437 29 H ASP 5 H ASP 5 -12.481 -1.712 0.903 30 HA ASP 5 HA ASP 5 -11.076 -3.529 -0.711 31 HB2 ASP 5 1HB ASP 5 -12.370 -0.889 -1.147 32 HB3 ASP 5 2HB ASP 5 -11.217 -1.432 -2.367 33 H ASP 6 H ASP 6 -10.087 -0.537 0.808 34 HA ASP 6 HA ASP 6 -7.652 -0.290 -0.689 35 HB2 ASP 6 1HB ASP 6 -8.493 1.006 1.917 36 HB3 ASP 6 2HB ASP 6 -7.067 1.448 0.976 37 H PHE 7 H PHE 7 -8.593 -1.608 2.436 38 HA PHE 7 HA PHE 7 -6.086 -2.355 3.380 39 HB2 PHE 7 1HB PHE 7 -8.833 -3.524 3.761 40 HB3 PHE 7 2HB PHE 7 -7.417 -4.220 4.540 41 HD1 PHE 7 HD1 PHE 7 -9.679 -1.349 4.418 42 HD2 PHE 7 HD2 PHE 7 -6.307 -3.078 6.345 43 HE1 PHE 7 HE1 PHE 7 -9.905 0.272 6.255 44 HE2 PHE 7 HE2 PHE 7 -6.523 -1.463 8.188 45 HZ PHE 7 HZ PHE 7 -8.325 0.215 8.145 46 H LYS 8 H LYS 8 -8.247 -3.881 1.093 47 HA LYS 8 HA LYS 8 -6.905 -6.333 0.803 48 HB2 LYS 8 1HB LYS 8 -8.553 -4.772 -1.190 49 HB3 LYS 8 2HB LYS 8 -8.037 -6.437 -1.414 50 HG2 LYS 8 1HG LYS 8 -9.327 -7.121 0.525 51 HG3 LYS 8 2HG LYS 8 -9.812 -5.445 0.805 52 HD2 LYS 8 1HD LYS 8 -11.593 -6.641 -0.324 53 HD3 LYS 8 2HD LYS 8 -10.913 -5.420 -1.399 54 HE2 LYS 8 1HE LYS 8 -11.306 -7.505 -2.594 55 HE3 LYS 8 2HE LYS 8 -9.582 -7.142 -2.515 56 HZ1 LYS 8 3HZ LYS 8 -10.165 -9.499 -2.058 57 HZ2 LYS 8 1HZ LYS 8 -10.964 -8.996 -0.650 58 HZ3 LYS 8 2HZ LYS 8 -9.290 -8.760 -0.809 59 H LEU 9 H LEU 9 -6.461 -3.206 -0.738 60 HA LEU 9 HA LEU 9 -4.592 -4.116 -2.682 61 HB2 LEU 9 1HB LEU 9 -6.047 -2.043 -2.803 62 HB3 LEU 9 2HB LEU 9 -4.939 -1.294 -1.666 63 HG LEU 9 HG LEU 9 -3.968 -2.386 -4.304 64 HD11 LEU 9 1HD1 LEU 9 -5.776 -0.833 -4.802 65 HD12 LEU 9 2HD1 LEU 9 -4.212 -0.138 -5.231 66 HD13 LEU 9 3HD1 LEU 9 -5.035 0.381 -3.760 67 HD21 LEU 9 3HD2 LEU 9 -2.271 -1.845 -2.630 68 HD22 LEU 9 1HD2 LEU 9 -2.935 -0.219 -2.474 69 HD23 LEU 9 2HD2 LEU 9 -2.198 -0.728 -3.993 70 H ILE 10 H ILE 10 -4.288 -2.532 0.487 71 HA ILE 10 HA ILE 10 -1.461 -2.307 0.344 72 HB ILE 10 HB ILE 10 -2.811 -0.887 1.848 73 HG12 ILE 10 1HG1 ILE 10 -1.297 -1.044 3.828 74 HG13 ILE 10 2HG1 ILE 10 -0.686 -2.568 3.189 75 HG21 ILE 10 1HG2 ILE 10 -3.124 -3.381 3.504 76 HG22 ILE 10 2HG2 ILE 10 -4.407 -2.539 2.636 77 HG23 ILE 10 3HG2 ILE 10 -3.596 -1.752 3.990 78 HD11 ILE 10 3HD1 ILE 10 0.133 -1.418 1.210 79 HD12 ILE 10 1HD1 ILE 10 0.810 -0.727 2.685 80 HD13 ILE 10 2HD1 ILE 10 -0.489 0.111 1.835 81 H ARG 11 H ARG 11 -3.630 -4.837 1.445 82 HA ARG 11 HA ARG 11 -1.724 -6.453 2.759 83 HB2 ARG 11 1HB ARG 11 -4.211 -6.804 2.816 84 HB3 ARG 11 2HB ARG 11 -4.114 -7.410 1.168 85 HG2 ARG 11 1HG ARG 11 -2.423 -9.100 2.092 86 HG3 ARG 11 2HG ARG 11 -3.029 -8.630 3.680 87 HD2 ARG 11 1HD ARG 11 -4.233 -10.570 2.979 88 HD3 ARG 11 2HD ARG 11 -5.327 -9.191 2.885 89 HE ARG 11 HE ARG 11 -4.443 -9.264 0.386 90 HH11 ARG 11 1HH1 ARG 11 -5.496 -11.888 2.461 91 HH12 ARG 11 2HH1 ARG 11 -6.044 -12.878 1.134 92 HH21 ARG 11 1HH2 ARG 11 -5.155 -10.554 -1.346 93 HH22 ARG 11 2HH2 ARG 11 -5.860 -12.114 -1.036 94 H ASP 12 H ASP 12 -2.661 -6.101 -0.600 95 HA ASP 12 HA ASP 12 -1.296 -8.282 -1.702 96 HB2 ASP 12 1HB ASP 12 -2.893 -7.108 -3.040 97 HB3 ASP 12 2HB ASP 12 -2.021 -5.586 -2.855 98 H ILE 13 H ILE 13 -0.238 -5.023 -0.936 99 HA ILE 13 HA ILE 13 2.242 -5.026 -2.182 100 HB ILE 13 HB ILE 13 1.776 -3.712 0.487 101 HG12 ILE 13 1HG1 ILE 13 -0.179 -3.236 -0.929 102 HG13 ILE 13 2HG1 ILE 13 0.806 -1.796 -0.701 103 HG21 ILE 13 1HG2 ILE 13 4.030 -3.578 -0.391 104 HG22 ILE 13 2HG2 ILE 13 3.262 -1.992 -0.466 105 HG23 ILE 13 3HG2 ILE 13 3.420 -2.963 -1.928 106 HD11 ILE 13 3HD1 ILE 13 0.020 -1.961 -2.978 107 HD12 ILE 13 1HD1 ILE 13 0.767 -3.551 -3.142 108 HD13 ILE 13 2HD1 ILE 13 1.776 -2.121 -2.919 109 H HIS 14 H HIS 14 1.231 -6.326 0.920 110 HA HIS 14 HA HIS 14 3.852 -7.075 1.778 111 HB2 HIS 14 1HB HIS 14 1.109 -8.001 2.663 112 HB3 HIS 14 2HB HIS 14 2.613 -8.469 3.451 113 HD1 HIS 14 HD1 HIS 14 3.676 -6.767 5.051 114 HD2 HIS 14 HD2 HIS 14 0.308 -5.363 3.061 115 HE1 HIS 14 HE1 HIS 14 3.109 -4.571 6.140 116 HE2 HIS 14 HE2 HIS 14 0.938 -3.864 5.073 117 H SER 15 H SER 15 1.136 -8.710 0.245 118 HA SER 15 HA SER 15 2.192 -11.309 0.298 119 HB2 SER 15 1HB SER 15 -0.218 -10.570 -0.153 120 HB3 SER 15 2HB SER 15 0.300 -10.270 -1.811 121 HG SER 15 HG SER 15 0.974 -12.502 -1.876 122 H THR 16 H THR 16 2.603 -8.659 -1.987 123 HA THR 16 HA THR 16 3.894 -10.324 -3.953 124 HB THR 16 HB THR 16 2.567 -8.349 -4.638 125 HG1 THR 16 HG1 THR 16 5.335 -8.368 -5.309 126 HG21 THR 16 3HG2 THR 16 3.490 -6.102 -4.377 127 HG22 THR 16 1HG2 THR 16 4.818 -6.753 -3.415 128 HG23 THR 16 2HG2 THR 16 3.164 -6.838 -2.808 129 H GLY 17 H GLY 17 4.989 -9.631 -1.061 130 HA2 GLY 17 1HA GLY 17 7.254 -10.323 -0.587 131 HA3 GLY 17 2HA GLY 17 7.762 -9.501 -2.057 132 H GLY 18 H GLY 18 5.509 -7.712 -0.252 133 HA2 GLY 18 1HA GLY 18 5.785 -6.154 1.476 134 HA3 GLY 18 2HA GLY 18 7.516 -6.480 1.462 135 H ARG 19 H ARG 19 6.911 -6.096 -1.667 136 HA ARG 19 HA ARG 19 6.763 -3.197 -1.698 137 HB2 ARG 19 1HB ARG 19 8.823 -3.000 -3.070 138 HB3 ARG 19 2HB ARG 19 9.136 -3.538 -1.422 139 HG2 ARG 19 1HG ARG 19 9.254 -5.874 -2.285 140 HG3 ARG 19 2HG ARG 19 9.135 -5.219 -3.920 141 HD2 ARG 19 1HD ARG 19 11.462 -5.639 -3.310 142 HD3 ARG 19 2HD ARG 19 11.170 -3.916 -3.552 143 HE ARG 19 HE ARG 19 10.798 -4.368 -0.855 144 HH11 ARG 19 1HH1 ARG 19 13.437 -4.760 -3.137 145 HH12 ARG 19 2HH1 ARG 19 14.668 -4.513 -1.934 146 HH21 ARG 19 1HH2 ARG 19 12.411 -4.006 0.702 147 HH22 ARG 19 2HH2 ARG 19 14.088 -4.069 0.247 148 H ARG 20 H ARG 20 5.778 -2.433 -3.452 149 HA ARG 20 HA ARG 20 5.371 -4.244 -5.746 150 HB2 ARG 20 1HB ARG 20 3.321 -4.227 -4.401 151 HB3 ARG 20 2HB ARG 20 3.306 -2.466 -4.418 152 HG2 ARG 20 1HG ARG 20 1.712 -3.130 -6.001 153 HG3 ARG 20 2HG ARG 20 3.119 -2.623 -6.935 154 HD2 ARG 20 1HD ARG 20 2.867 -4.579 -8.004 155 HD3 ARG 20 2HD ARG 20 3.615 -5.283 -6.570 156 HE ARG 20 HE ARG 20 1.283 -5.631 -5.743 157 HH11 ARG 20 1HH1 ARG 20 1.893 -5.292 -9.176 158 HH12 ARG 20 2HH1 ARG 20 0.508 -6.228 -9.642 159 HH21 ARG 20 1HH2 ARG 20 -0.521 -6.872 -6.351 160 HH22 ARG 20 2HH2 ARG 20 -0.851 -7.149 -8.040 161 H GLN 21 H GLN 21 5.878 -3.314 -7.663 162 HA GLN 21 HA GLN 21 6.298 -0.407 -7.654 163 HB2 GLN 21 1HB GLN 21 7.650 -0.742 -9.681 164 HB3 GLN 21 2HB GLN 21 8.257 -1.680 -8.320 165 HG2 GLN 21 1HG GLN 21 7.292 -3.695 -9.227 166 HG3 GLN 21 2HG GLN 21 6.545 -2.779 -10.540 167 HE21 GLN 21 2HE2 GLN 21 9.531 -3.974 -9.214 168 HE22 GLN 21 1HE2 GLN 21 10.475 -3.794 -10.663 169 H VAL 22 H VAL 22 5.184 0.925 -8.923 170 HA VAL 22 HA VAL 22 3.224 -0.251 -10.783 171 HB VAL 22 HB VAL 22 2.722 2.121 -8.978 172 HG11 VAL 22 1HG1 VAL 22 0.394 1.885 -9.708 173 HG12 VAL 22 2HG1 VAL 22 0.869 0.575 -10.788 174 HG13 VAL 22 3HG1 VAL 22 1.473 2.208 -11.065 175 HG21 VAL 22 3HG2 VAL 22 1.677 -0.696 -8.732 176 HG22 VAL 22 1HG2 VAL 22 1.223 0.671 -7.717 177 HG23 VAL 22 2HG2 VAL 22 2.876 0.057 -7.680 178 H PHE 23 H PHE 23 2.918 0.850 -12.687 179 HA PHE 23 HA PHE 23 5.038 2.684 -13.388 180 HB2 PHE 23 1HB PHE 23 2.766 1.581 -15.054 181 HB3 PHE 23 2HB PHE 23 4.129 2.507 -15.673 182 HD1 PHE 23 HD1 PHE 23 6.483 1.537 -15.157 183 HD2 PHE 23 HD2 PHE 23 2.882 -0.724 -15.024 184 HE1 PHE 23 HE1 PHE 23 7.779 -0.534 -15.428 185 HE2 PHE 23 HE2 PHE 23 4.171 -2.802 -15.292 186 HZ PHE 23 HZ PHE 23 6.623 -2.708 -15.495 187 H GLY 24 H GLY 24 4.464 4.630 -14.752 188 HA2 GLY 24 1HA GLY 24 2.843 6.362 -13.153 189 HA3 GLY 24 2HA GLY 24 3.725 6.806 -14.610 190 H SER 25 H SER 25 0.791 5.315 -13.405 191 HA SER 25 HA SER 25 -0.712 6.543 -15.560 192 HB2 SER 25 1HB SER 25 -0.027 4.216 -16.336 193 HB3 SER 25 2HB SER 25 -1.007 3.575 -15.019 194 HG SER 25 HG SER 25 -1.769 4.557 -17.445 195 H ARG 26 H ARG 26 -3.191 5.489 -15.041 196 HA ARG 26 HA ARG 26 -3.888 6.808 -12.642 197 HB2 ARG 26 1HB ARG 26 -5.430 6.548 -14.556 198 HB3 ARG 26 2HB ARG 26 -5.528 4.822 -14.226 199 HG2 ARG 26 1HG ARG 26 -6.487 5.317 -12.019 200 HG3 ARG 26 2HG ARG 26 -6.433 7.039 -12.401 201 HD2 ARG 26 1HD ARG 26 -8.657 6.193 -12.794 202 HD3 ARG 26 2HD ARG 26 -7.909 6.627 -14.330 203 HE ARG 26 HE ARG 26 -7.531 3.864 -13.684 204 HH11 ARG 26 1HH1 ARG 26 -9.810 6.173 -15.007 205 HH12 ARG 26 2HH1 ARG 26 -10.674 4.986 -15.938 206 HH21 ARG 26 1HH2 ARG 26 -8.657 2.296 -14.898 207 HH22 ARG 26 2HH2 ARG 26 -9.994 2.779 -15.904 208 H GLU 27 H GLU 27 -3.134 3.495 -13.387 209 HA GLU 27 HA GLU 27 -4.143 2.146 -11.186 210 HB2 GLU 27 1HB GLU 27 -3.058 1.103 -13.163 211 HB3 GLU 27 2HB GLU 27 -1.495 1.651 -12.567 212 HG2 GLU 27 1HG GLU 27 -1.844 0.282 -10.533 213 HG3 GLU 27 2HG GLU 27 -3.343 -0.325 -11.244 214 H GLN 28 H GLN 28 -1.509 4.368 -11.385 215 HA GLN 28 HA GLN 28 -0.198 3.497 -8.977 216 HB2 GLN 28 1HB GLN 28 0.942 4.572 -10.957 217 HB3 GLN 28 2HB GLN 28 0.198 6.095 -10.469 218 HG2 GLN 28 1HG GLN 28 1.376 6.031 -8.364 219 HG3 GLN 28 2HG GLN 28 2.052 4.454 -8.763 220 HE21 GLN 28 2HE2 GLN 28 3.680 4.302 -10.303 221 HE22 GLN 28 1HE2 GLN 28 4.594 5.689 -10.801 222 H LYS 29 H LYS 29 -2.823 5.572 -9.720 223 HA LYS 29 HA LYS 29 -2.498 7.528 -7.729 224 HB2 LYS 29 1HB LYS 29 -4.004 7.836 -9.631 225 HB3 LYS 29 2HB LYS 29 -5.061 6.575 -9.009 226 HG2 LYS 29 1HG LYS 29 -5.881 8.858 -8.549 227 HG3 LYS 29 2HG LYS 29 -5.612 7.908 -7.086 228 HD2 LYS 29 1HD LYS 29 -4.781 10.168 -6.780 229 HD3 LYS 29 2HD LYS 29 -3.436 9.026 -6.787 230 HE2 LYS 29 1HE LYS 29 -3.115 9.578 -9.217 231 HE3 LYS 29 2HE LYS 29 -4.307 10.862 -9.014 232 HZ1 LYS 29 3HZ LYS 29 -1.695 10.618 -7.618 233 HZ2 LYS 29 1HZ LYS 29 -2.864 11.802 -7.260 234 HZ3 LYS 29 2HZ LYS 29 -2.121 11.770 -8.786 235 HA PRO 30 HA PRO 30 -5.467 4.831 -4.912 236 HB2 PRO 30 1HB PRO 30 -5.197 2.128 -5.363 237 HB3 PRO 30 2HB PRO 30 -6.551 3.115 -5.930 238 HG2 PRO 30 1HG PRO 30 -4.105 2.224 -7.404 239 HG3 PRO 30 2HG PRO 30 -5.787 2.307 -7.965 240 HD2 PRO 30 1HD PRO 30 -3.999 4.174 -8.657 241 HD3 PRO 30 2HD PRO 30 -5.689 4.604 -8.306 242 H PHE 31 H PHE 31 -2.347 3.902 -6.134 243 HA PHE 31 HA PHE 31 -1.442 2.771 -3.660 244 HB2 PHE 31 1HB PHE 31 -0.072 3.555 -6.225 245 HB3 PHE 31 2HB PHE 31 0.837 3.006 -4.816 246 HD1 PHE 31 HD2 PHE 31 -1.844 2.017 -7.176 247 HD2 PHE 31 HD1 PHE 31 1.076 0.729 -4.365 248 HE1 PHE 31 HE2 PHE 31 -2.250 -0.318 -7.832 249 HE2 PHE 31 HE1 PHE 31 0.675 -1.609 -5.014 250 HZ PHE 31 HZ PHE 31 -0.991 -2.136 -6.750 251 H GLU 32 H GLU 32 -1.160 5.876 -5.318 252 HA GLU 32 HA GLU 32 0.414 7.161 -3.334 253 HB2 GLU 32 1HB GLU 32 -1.576 8.347 -5.276 254 HB3 GLU 32 2HB GLU 32 -0.429 9.270 -4.319 255 HG2 GLU 32 1HG GLU 32 1.407 8.052 -5.468 256 HG3 GLU 32 2HG GLU 32 0.191 7.313 -6.512 257 H ASP 33 H ASP 33 -2.983 6.530 -3.728 258 HA ASP 33 HA ASP 33 -4.088 8.225 -1.815 259 HB2 ASP 33 1HB ASP 33 -5.448 6.925 -3.375 260 HB3 ASP 33 2HB ASP 33 -4.927 5.425 -2.610 261 H LEU 34 H LEU 34 -2.586 5.057 -1.485 262 HA LEU 34 HA LEU 34 -3.041 4.892 1.331 263 HB2 LEU 34 1HB LEU 34 -1.136 3.365 -0.441 264 HB3 LEU 34 2HB LEU 34 -1.489 2.981 1.236 265 HG LEU 34 HG LEU 34 -3.399 2.836 -1.097 266 HD11 LEU 34 1HD1 LEU 34 -3.453 0.457 -0.564 267 HD12 LEU 34 2HD1 LEU 34 -2.268 0.713 0.716 268 HD13 LEU 34 3HD1 LEU 34 -1.822 0.990 -0.968 269 HD21 LEU 34 3HD2 LEU 34 -5.057 2.020 0.489 270 HD22 LEU 34 1HD2 LEU 34 -4.554 3.659 0.902 271 HD23 LEU 34 2HD2 LEU 34 -3.934 2.288 1.821 272 H VAL 35 H VAL 35 -0.526 6.175 -0.724 273 HA VAL 35 HA VAL 35 1.495 6.418 1.245 274 HB VAL 35 HB VAL 35 1.039 8.117 -1.218 275 HG11 VAL 35 1HG1 VAL 35 2.475 9.249 0.392 276 HG12 VAL 35 2HG1 VAL 35 3.404 8.713 -1.009 277 HG13 VAL 35 3HG1 VAL 35 3.495 7.815 0.506 278 HG21 VAL 35 3HG2 VAL 35 2.782 6.701 -2.217 279 HG22 VAL 35 1HG2 VAL 35 1.341 5.784 -1.779 280 HG23 VAL 35 2HG2 VAL 35 2.782 5.701 -0.764 281 H ASP 36 H ASP 36 -1.108 8.542 0.184 282 HA ASP 36 HA ASP 36 -0.517 10.768 1.780 283 HB2 ASP 36 1HB ASP 36 -2.187 10.756 -0.055 284 HB3 ASP 36 2HB ASP 36 -3.246 9.757 0.943 285 H LEU 37 H LEU 37 -2.204 7.778 2.488 286 HA LEU 37 HA LEU 37 -2.974 8.575 5.142 287 HB2 LEU 37 1HB LEU 37 -2.923 5.863 3.815 288 HB3 LEU 37 2HB LEU 37 -3.658 6.218 5.368 289 HG LEU 37 HG LEU 37 -4.537 7.388 2.729 290 HD11 LEU 37 1HD1 LEU 37 -5.012 5.010 2.861 291 HD12 LEU 37 2HD1 LEU 37 -6.498 5.951 2.998 292 HD13 LEU 37 3HD1 LEU 37 -5.773 5.234 4.437 293 HD21 LEU 37 3HD2 LEU 37 -5.769 7.565 5.477 294 HD22 LEU 37 1HD2 LEU 37 -6.457 8.212 3.987 295 HD23 LEU 37 2HD2 LEU 37 -4.952 8.875 4.625 296 H GLY 38 H GLY 38 -0.172 7.322 3.658 297 HA2 GLY 38 1HA GLY 38 1.927 7.175 4.699 298 HA3 GLY 38 2HA GLY 38 1.122 7.097 6.262 299 H TRP 39 H TRP 39 -0.158 5.020 3.860 300 HA TRP 39 HA TRP 39 0.757 2.708 5.364 301 HB2 TRP 39 1HB TRP 39 -1.144 3.008 3.032 302 HB3 TRP 39 2HB TRP 39 -0.752 1.461 3.782 303 HD1 TRP 39 HD1 TRP 39 -1.035 4.097 6.388 304 HE1 TRP 39 HE1 TRP 39 -3.315 3.929 7.590 305 HE3 TRP 39 HE3 TRP 39 -3.417 0.895 3.184 306 HZ2 TRP 39 HZ2 TRP 39 -5.758 2.631 7.227 307 HZ3 TRP 39 HZ3 TRP 39 -5.734 0.236 3.693 308 HH2 TRP 39 HH2 TRP 39 -6.882 1.088 5.675 309 H LEU 40 H LEU 40 1.218 4.202 2.253 310 HA LEU 40 HA LEU 40 3.319 2.226 1.663 311 HB2 LEU 40 1HB LEU 40 1.482 3.727 -0.189 312 HB3 LEU 40 2HB LEU 40 2.978 3.008 -0.753 313 HG LEU 40 HG LEU 40 0.683 1.503 0.510 314 HD11 LEU 40 1HD1 LEU 40 0.128 2.325 -1.713 315 HD12 LEU 40 2HD1 LEU 40 0.364 0.577 -1.736 316 HD13 LEU 40 3HD1 LEU 40 1.625 1.645 -2.353 317 HD21 LEU 40 3HD2 LEU 40 1.932 -0.490 -0.169 318 HD22 LEU 40 1HD2 LEU 40 2.845 0.482 0.986 319 HD23 LEU 40 2HD2 LEU 40 3.257 0.531 -0.729 320 H LYS 41 H LYS 41 5.162 3.075 0.459 321 HA LYS 41 HA LYS 41 5.537 5.975 0.697 322 HB2 LYS 41 1HB LYS 41 6.592 4.910 2.669 323 HB3 LYS 41 2HB LYS 41 7.560 3.906 1.592 324 HG2 LYS 41 1HG LYS 41 8.912 5.715 2.377 325 HG3 LYS 41 2HG LYS 41 8.572 5.974 0.662 326 HD2 LYS 41 1HD LYS 41 6.693 7.482 1.362 327 HD3 LYS 41 2HD LYS 41 7.279 7.337 3.019 328 HE2 LYS 41 1HE LYS 41 8.131 9.368 2.032 329 HE3 LYS 41 2HE LYS 41 9.459 8.239 2.296 330 HZ1 LYS 41 3HZ LYS 41 9.430 7.668 -0.026 331 HZ2 LYS 41 1HZ LYS 41 9.568 9.351 0.125 332 HZ3 LYS 41 2HZ LYS 41 8.082 8.657 -0.303 333 H ARG 42 H ARG 42 6.049 6.738 -1.254 334 HA ARG 42 HA ARG 42 7.499 4.994 -3.101 335 HB2 ARG 42 1HB ARG 42 6.861 6.770 -4.799 336 HB3 ARG 42 2HB ARG 42 5.548 5.791 -4.162 337 HG2 ARG 42 1HG ARG 42 4.820 7.585 -2.751 338 HG3 ARG 42 2HG ARG 42 6.241 8.548 -3.167 339 HD2 ARG 42 1HD ARG 42 4.176 7.638 -5.166 340 HD3 ARG 42 2HD ARG 42 4.143 9.207 -4.363 341 HE ARG 42 HE ARG 42 6.497 9.428 -5.400 342 HH11 ARG 42 1HH1 ARG 42 3.784 7.776 -6.884 343 HH12 ARG 42 2HH1 ARG 42 4.284 8.129 -8.507 344 HH21 ARG 42 1HH2 ARG 42 7.183 9.876 -7.542 345 HH22 ARG 42 2HH2 ARG 42 6.234 9.307 -8.887 346 H SER 43 H SER 43 9.612 5.203 -2.794 347 HA SER 43 HA SER 43 10.687 7.935 -2.573 348 HB2 SER 43 1HB SER 43 11.921 5.374 -1.537 349 HB3 SER 43 2HB SER 43 12.556 7.005 -1.318 350 HG SER 43 HG SER 43 11.419 6.395 0.520 351 H SER 44 H SER 44 11.570 4.660 -3.675 352 HA SER 44 HA SER 44 13.473 5.863 -5.532 353 HB2 SER 44 1HB SER 44 13.066 2.979 -4.720 354 HB3 SER 44 2HB SER 44 14.354 3.575 -5.770 355 HG SER 44 HG SER 44 14.779 5.054 -3.869 356 H VAL 45 H VAL 45 12.910 6.241 -7.525 357 HA VAL 45 HA VAL 45 10.913 4.491 -8.813 358 HB VAL 45 HB VAL 45 10.377 6.347 -10.318 359 HG11 VAL 45 1HG1 VAL 45 10.223 7.122 -7.409 360 HG12 VAL 45 2HG1 VAL 45 9.071 6.117 -8.287 361 HG13 VAL 45 3HG1 VAL 45 9.258 7.820 -8.708 362 HG21 VAL 45 3HG2 VAL 45 12.520 7.488 -10.350 363 HG22 VAL 45 1HG2 VAL 45 12.325 7.948 -8.659 364 HG23 VAL 45 2HG2 VAL 45 11.241 8.608 -9.883 365 H ASP 46 H ASP 46 11.282 3.884 -10.983 366 HA ASP 46 HA ASP 46 14.008 4.383 -11.992 367 HB2 ASP 46 1HB ASP 46 13.851 2.057 -11.228 368 HB3 ASP 46 2HB ASP 46 12.417 1.814 -12.228 369 H SER 47 H SER 47 13.610 5.894 -13.472 370 HA SER 47 HA SER 47 12.871 6.935 -15.336 371 HB2 SER 47 1HB SER 47 13.311 4.788 -16.480 372 HB3 SER 47 2HB SER 47 11.678 4.254 -16.090 373 HG SER 47 HG SER 47 12.320 5.423 -18.246 374 H ARG 48 H ARG 48 10.158 4.664 -14.910 375 HA ARG 48 HA ARG 48 8.519 6.899 -13.958 376 HB2 ARG 48 1HB ARG 48 8.196 6.589 -16.429 377 HB3 ARG 48 2HB ARG 48 7.592 4.972 -16.094 378 HG2 ARG 48 1HG ARG 48 5.734 5.862 -14.860 379 HG3 ARG 48 2HG ARG 48 6.376 7.500 -15.002 380 HD2 ARG 48 1HD ARG 48 4.583 7.139 -16.598 381 HD3 ARG 48 2HD ARG 48 6.116 7.390 -17.430 382 HE ARG 48 HE ARG 48 5.935 4.685 -17.232 383 HH11 ARG 48 1HH1 ARG 48 3.760 7.156 -18.436 384 HH12 ARG 48 2HH1 ARG 48 3.095 6.133 -19.674 385 HH21 ARG 48 1HH2 ARG 48 5.050 3.346 -18.832 386 HH22 ARG 48 2HH2 ARG 48 3.824 3.964 -19.908 387 H ALA 49 H ALA 49 9.229 3.497 -14.091 388 HA ALA 49 HA ALA 49 7.053 2.531 -12.575 389 HB1 ALA 49 3HB ALA 49 9.874 1.469 -12.773 390 HB2 ALA 49 1HB ALA 49 8.511 1.019 -13.798 391 HB3 ALA 49 2HB ALA 49 8.503 0.598 -12.084 392 H THR 50 H THR 50 6.518 3.086 -10.599 393 HA THR 50 HA THR 50 8.567 4.206 -8.825 394 HB THR 50 HB THR 50 5.554 4.381 -8.611 395 HG1 THR 50 HG1 THR 50 7.060 5.519 -10.377 396 HG21 THR 50 3HG2 THR 50 6.703 4.689 -6.471 397 HG22 THR 50 1HG2 THR 50 6.016 6.209 -7.041 398 HG23 THR 50 2HG2 THR 50 7.747 5.911 -7.200 399 H HIS 51 H HIS 51 9.188 3.148 -7.042 400 HA HIS 51 HA HIS 51 7.975 0.550 -6.515 401 HB2 HIS 51 1HB HIS 51 10.513 1.834 -5.480 402 HB3 HIS 51 2HB HIS 51 9.955 0.228 -5.013 403 HD1 HIS 51 HD1 HIS 51 10.332 -1.674 -6.656 404 HD2 HIS 51 HD2 HIS 51 11.515 2.031 -8.122 405 HE1 HIS 51 HE1 HIS 51 11.660 -2.164 -8.738 406 HE2 HIS 51 HE2 HIS 51 12.581 0.074 -9.446 407 H TYR 52 H TYR 52 6.417 0.392 -5.055 408 HA TYR 52 HA TYR 52 6.396 2.254 -2.780 409 HB2 TYR 52 1HB TYR 52 4.231 0.486 -3.939 410 HB3 TYR 52 2HB TYR 52 4.053 1.401 -2.438 411 HD1 TYR 52 HD1 TYR 52 3.832 3.802 -2.471 412 HD2 TYR 52 HD2 TYR 52 4.239 1.620 -6.098 413 HE1 TYR 52 HE1 TYR 52 3.096 5.774 -3.736 414 HE2 TYR 52 HE2 TYR 52 3.505 3.593 -7.372 415 HH TYR 52 HH TYR 52 2.084 5.683 -6.869 416 H GLN 53 H GLN 53 7.043 1.530 -0.864 417 HA GLN 53 HA GLN 53 7.104 -1.382 -0.439 418 HB2 GLN 53 1HB GLN 53 9.320 -0.219 -0.469 419 HB3 GLN 53 2HB GLN 53 8.803 0.709 0.935 420 HG2 GLN 53 1HG GLN 53 8.611 -1.325 2.240 421 HG3 GLN 53 2HG GLN 53 9.052 -2.290 0.830 422 HE21 GLN 53 2HE2 GLN 53 10.184 -0.136 3.297 423 HE22 GLN 53 1HE2 GLN 53 11.876 -0.405 3.044 424 H ILE 54 H ILE 54 6.492 -2.202 1.576 425 HA ILE 54 HA ILE 54 4.277 -0.954 2.799 426 HB ILE 54 HB ILE 54 4.432 -2.778 4.474 427 HG12 ILE 54 1HG1 ILE 54 6.871 -3.612 2.881 428 HG13 ILE 54 2HG1 ILE 54 6.902 -2.962 4.515 429 HG21 ILE 54 1HG2 ILE 54 3.211 -3.089 2.398 430 HG22 ILE 54 2HG2 ILE 54 3.987 -4.594 2.893 431 HG23 ILE 54 3HG2 ILE 54 4.686 -3.627 1.593 432 HD11 ILE 54 3HD1 ILE 54 5.642 -4.898 5.304 433 HD12 ILE 54 1HD1 ILE 54 7.150 -5.371 4.522 434 HD13 ILE 54 2HD1 ILE 54 5.620 -5.546 3.665 435 H THR 55 H THR 55 4.096 0.337 4.531 436 HA THR 55 HA THR 55 6.547 1.077 5.966 437 HB THR 55 HB THR 55 5.344 3.067 6.686 438 HG1 THR 55 HG1 THR 55 3.174 3.385 5.986 439 HG21 THR 55 3HG2 THR 55 4.948 2.560 3.732 440 HG22 THR 55 1HG2 THR 55 6.426 3.153 4.486 441 HG23 THR 55 2HG2 THR 55 4.966 4.142 4.510 442 H GLU 56 H GLU 56 5.782 1.952 8.304 443 HA GLU 56 HA GLU 56 5.079 -0.236 9.897 444 HB2 GLU 56 1HB GLU 56 4.610 2.653 10.651 445 HB3 GLU 56 2HB GLU 56 4.912 1.303 11.731 446 HG2 GLU 56 1HG GLU 56 6.918 2.453 11.723 447 HG3 GLU 56 2HG GLU 56 7.197 1.148 10.571 448 H ARG 57 H ARG 57 3.146 2.553 8.837 449 HA ARG 57 HA ARG 57 0.710 1.689 9.971 450 HB2 ARG 57 1HB ARG 57 1.172 3.483 7.583 451 HB3 ARG 57 2HB ARG 57 -0.360 3.296 8.430 452 HG2 ARG 57 1HG ARG 57 0.683 4.193 10.466 453 HG3 ARG 57 2HG ARG 57 2.186 4.429 9.571 454 HD2 ARG 57 1HD ARG 57 0.966 5.899 7.995 455 HD3 ARG 57 2HD ARG 57 -0.475 5.727 9.002 456 HE ARG 57 HE ARG 57 1.556 6.606 10.669 457 HH11 ARG 57 1HH1 ARG 57 -0.175 7.790 7.858 458 HH12 ARG 57 2HH1 ARG 57 0.088 9.467 8.251 459 HH21 ARG 57 1HH2 ARG 57 1.858 8.786 11.210 460 HH22 ARG 57 2HH2 ARG 57 1.207 10.035 10.185 461 H GLY 58 H GLY 58 2.164 1.205 6.789 462 HA2 GLY 58 1HA GLY 58 -0.035 -0.067 5.571 463 HA3 GLY 58 2HA GLY 58 1.648 -0.257 5.090 464 H THR 59 H THR 59 2.549 -1.325 7.597 465 HA THR 59 HA THR 59 1.789 -4.059 7.291 466 HB THR 59 HB THR 59 3.380 -2.775 9.523 467 HG1 THR 59 HG1 THR 59 4.585 -2.384 7.761 468 HG21 THR 59 3HG2 THR 59 3.276 -5.635 8.553 469 HG22 THR 59 1HG2 THR 59 2.592 -5.034 10.061 470 HG23 THR 59 2HG2 THR 59 4.337 -5.012 9.815 471 H SER 60 H SER 60 1.188 -1.564 9.717 472 HA SER 60 HA SER 60 -0.306 -3.102 11.517 473 HB2 SER 60 1HB SER 60 0.648 -0.857 12.004 474 HB3 SER 60 2HB SER 60 -0.559 -0.136 10.937 475 HG SER 60 HG SER 60 -0.921 -1.420 13.434 476 H ALA 61 H ALA 61 -1.254 -1.343 8.608 477 HA ALA 61 HA ALA 61 -4.060 -1.586 8.985 478 HB1 ALA 61 3HB ALA 61 -4.234 -0.909 6.648 479 HB2 ALA 61 1HB ALA 61 -2.503 -1.164 6.436 480 HB3 ALA 61 2HB ALA 61 -3.082 0.103 7.519 481 H ALA 62 H ALA 62 -1.692 -3.531 7.193 482 HA ALA 62 HA ALA 62 -3.589 -5.279 6.021 483 HB1 ALA 62 3HB ALA 62 -1.696 -6.707 5.505 484 HB2 ALA 62 1HB ALA 62 -0.681 -5.799 6.626 485 HB3 ALA 62 2HB ALA 62 -1.304 -5.021 5.170 486 H LEU 63 H LEU 63 -1.867 -5.274 9.064 487 HA LEU 63 HA LEU 63 -2.798 -7.850 9.912 488 HB2 LEU 63 1HB LEU 63 -0.731 -6.676 10.745 489 HB3 LEU 63 2HB LEU 63 -1.782 -5.556 11.597 490 HG LEU 63 HG LEU 63 -2.693 -7.478 12.897 491 HD11 LEU 63 1HD1 LEU 63 -1.468 -9.590 12.869 492 HD12 LEU 63 2HD1 LEU 63 -0.473 -8.999 11.539 493 HD13 LEU 63 3HD1 LEU 63 -2.202 -9.252 11.302 494 HD21 LEU 63 3HD2 LEU 63 0.299 -7.134 13.057 495 HD22 LEU 63 1HD2 LEU 63 -0.758 -7.716 14.342 496 HD23 LEU 63 2HD2 LEU 63 -0.896 -6.052 13.774 497 H ARG 64 H ARG 64 -3.988 -4.652 9.849 498 HA ARG 64 HA ARG 64 -5.890 -3.623 10.430 499 HB2 ARG 64 1HB ARG 64 -7.067 -5.260 9.190 500 HB3 ARG 64 2HB ARG 64 -6.892 -6.460 10.465 501 HG2 ARG 64 1HG ARG 64 -8.402 -5.253 11.890 502 HG3 ARG 64 2HG ARG 64 -8.471 -3.913 10.745 503 HD2 ARG 64 1HD ARG 64 -9.287 -6.680 9.935 504 HD3 ARG 64 2HD ARG 64 -10.406 -5.620 10.789 505 HE ARG 64 HE ARG 64 -9.705 -4.012 8.831 506 HH11 ARG 64 1HH1 ARG 64 -10.475 -7.429 8.706 507 HH12 ARG 64 2HH1 ARG 64 -11.060 -7.361 7.068 508 HH21 ARG 64 1HH2 ARG 64 -10.530 -3.922 6.692 509 HH22 ARG 64 2HH2 ARG 64 -11.092 -5.383 5.935 510 H SER 65 H SER 65 -5.540 -2.571 12.243 511 HA SER 65 HA SER 65 -6.778 -3.643 14.626 512 HB2 SER 65 1HB SER 65 -3.916 -2.641 14.683 513 HB3 SER 65 2HB SER 65 -4.871 -3.126 16.086 514 HG SER 65 HG SER 65 -4.947 -5.106 14.307 Start of MODEL 13 1 H1 MET 1 1H MET 1 -9.012 8.578 1.857 2 H2 MET 1 2H MET 1 -9.627 9.577 3.071 3 H3 MET 1 3H MET 1 -10.689 8.706 2.074 4 HA MET 1 HA MET 1 -8.767 7.545 4.003 5 HB2 MET 1 1HB MET 1 -10.637 8.591 5.147 6 HB3 MET 1 2HB MET 1 -11.783 7.796 4.071 7 HG2 MET 1 1HG MET 1 -11.655 6.757 6.298 8 HG3 MET 1 2HG MET 1 -11.243 5.647 4.989 9 HE1 MET 1 3HE MET 1 -9.887 7.816 7.964 10 HE2 MET 1 1HE MET 1 -9.020 8.496 6.587 11 HE3 MET 1 2HE MET 1 -8.145 7.584 7.818 12 H ALA 2 H ALA 2 -8.721 5.299 4.088 13 HA ALA 2 HA ALA 2 -9.185 4.067 1.519 14 HB1 ALA 2 3HB ALA 2 -7.071 3.749 2.702 15 HB2 ALA 2 1HB ALA 2 -7.892 2.215 2.424 16 HB3 ALA 2 2HB ALA 2 -7.930 2.956 4.022 17 H THR 3 H THR 3 -10.417 2.236 1.122 18 HA THR 3 HA THR 3 -12.456 1.625 3.157 19 HB THR 3 HB THR 3 -13.268 2.462 0.937 20 HG1 THR 3 HG1 THR 3 -14.894 1.345 1.703 21 HG21 THR 3 3HG2 THR 3 -13.220 0.935 -0.984 22 HG22 THR 3 1HG2 THR 3 -12.186 -0.168 -0.077 23 HG23 THR 3 2HG2 THR 3 -11.598 1.438 -0.511 24 H ALA 4 H ALA 4 -13.305 -0.820 2.569 25 HA ALA 4 HA ALA 4 -11.334 -2.505 3.630 26 HB1 ALA 4 3HB ALA 4 -13.728 -2.931 3.857 27 HB2 ALA 4 1HB ALA 4 -12.879 -4.331 3.201 28 HB3 ALA 4 2HB ALA 4 -13.825 -3.293 2.133 29 H ASP 5 H ASP 5 -12.222 -1.822 0.310 30 HA ASP 5 HA ASP 5 -10.711 -3.917 -0.872 31 HB2 ASP 5 1HB ASP 5 -11.768 -1.308 -1.955 32 HB3 ASP 5 2HB ASP 5 -10.823 -2.422 -2.944 33 H ASP 6 H ASP 6 -9.930 -0.663 0.177 34 HA ASP 6 HA ASP 6 -7.339 -0.595 -1.017 35 HB2 ASP 6 1HB ASP 6 -8.483 0.959 1.309 36 HB3 ASP 6 2HB ASP 6 -6.899 1.267 0.598 37 H PHE 7 H PHE 7 -8.632 -1.664 2.074 38 HA PHE 7 HA PHE 7 -6.231 -2.314 3.332 39 HB2 PHE 7 1HB PHE 7 -9.013 -3.428 3.531 40 HB3 PHE 7 2HB PHE 7 -7.688 -4.138 4.449 41 HD1 PHE 7 HD2 PHE 7 -6.456 -2.725 6.100 42 HD2 PHE 7 HD1 PHE 7 -10.051 -1.435 4.230 43 HE1 PHE 7 HE2 PHE 7 -6.754 -1.026 7.852 44 HE2 PHE 7 HE1 PHE 7 -10.358 0.265 5.980 45 HZ PHE 7 HZ PHE 7 -8.708 0.473 7.794 46 H LYS 8 H LYS 8 -8.142 -4.024 0.944 47 HA LYS 8 HA LYS 8 -6.601 -6.400 0.874 48 HB2 LYS 8 1HB LYS 8 -8.223 -5.092 -1.323 49 HB3 LYS 8 2HB LYS 8 -7.613 -6.740 -1.356 50 HG2 LYS 8 1HG LYS 8 -9.025 -7.352 0.494 51 HG3 LYS 8 2HG LYS 8 -9.562 -5.678 0.678 52 HD2 LYS 8 1HD LYS 8 -10.582 -5.754 -1.535 53 HD3 LYS 8 2HD LYS 8 -10.018 -7.412 -1.751 54 HE2 LYS 8 1HE LYS 8 -11.886 -6.510 0.437 55 HE3 LYS 8 2HE LYS 8 -12.409 -7.235 -1.083 56 HZ1 LYS 8 3HZ LYS 8 -10.698 -8.524 0.980 57 HZ2 LYS 8 1HZ LYS 8 -11.118 -9.218 -0.511 58 HZ3 LYS 8 2HZ LYS 8 -12.317 -8.896 0.639 59 H LEU 9 H LEU 9 -6.417 -3.313 -0.778 60 HA LEU 9 HA LEU 9 -4.378 -3.946 -2.611 61 HB2 LEU 9 1HB LEU 9 -5.956 -1.980 -2.682 62 HB3 LEU 9 2HB LEU 9 -4.996 -1.241 -1.413 63 HG LEU 9 HG LEU 9 -3.776 -2.011 -4.059 64 HD11 LEU 9 1HD1 LEU 9 -5.114 0.593 -3.334 65 HD12 LEU 9 2HD1 LEU 9 -5.675 -0.568 -4.537 66 HD13 LEU 9 3HD1 LEU 9 -4.159 0.298 -4.786 67 HD21 LEU 9 3HD2 LEU 9 -3.037 0.050 -1.980 68 HD22 LEU 9 1HD2 LEU 9 -2.167 -0.265 -3.482 69 HD23 LEU 9 2HD2 LEU 9 -2.236 -1.502 -2.227 70 H ILE 10 H ILE 10 -4.263 -2.405 0.607 71 HA ILE 10 HA ILE 10 -1.446 -2.075 0.558 72 HB ILE 10 HB ILE 10 -2.850 -0.709 2.024 73 HG12 ILE 10 1HG1 ILE 10 -1.462 -0.873 4.084 74 HG13 ILE 10 2HG1 ILE 10 -0.821 -2.402 3.488 75 HG21 ILE 10 1HG2 ILE 10 -4.501 -2.349 2.694 76 HG22 ILE 10 2HG2 ILE 10 -3.757 -1.608 4.111 77 HG23 ILE 10 3HG2 ILE 10 -3.280 -3.232 3.612 78 HD11 ILE 10 3HD1 ILE 10 0.125 -1.246 1.554 79 HD12 ILE 10 1HD1 ILE 10 0.729 -0.589 3.075 80 HD13 ILE 10 2HD1 ILE 10 -0.507 0.283 2.166 81 H ARG 11 H ARG 11 -3.528 -4.708 1.584 82 HA ARG 11 HA ARG 11 -1.458 -6.180 2.883 83 HB2 ARG 11 1HB ARG 11 -3.891 -6.573 3.274 84 HB3 ARG 11 2HB ARG 11 -4.003 -7.256 1.658 85 HG2 ARG 11 1HG ARG 11 -2.456 -9.022 2.270 86 HG3 ARG 11 2HG ARG 11 -2.268 -8.322 3.878 87 HD2 ARG 11 1HD ARG 11 -4.854 -9.351 2.718 88 HD3 ARG 11 2HD ARG 11 -3.822 -10.238 3.836 89 HE ARG 11 HE ARG 11 -4.388 -7.827 5.064 90 HH11 ARG 11 1HH1 ARG 11 -6.153 -10.632 3.931 91 HH12 ARG 11 2HH1 ARG 11 -7.452 -10.438 5.075 92 HH21 ARG 11 1HH2 ARG 11 -6.093 -7.568 6.566 93 HH22 ARG 11 2HH2 ARG 11 -7.435 -8.675 6.556 94 H ASP 12 H ASP 12 -2.682 -5.963 -0.386 95 HA ASP 12 HA ASP 12 -1.389 -8.103 -1.603 96 HB2 ASP 12 1HB ASP 12 -3.001 -6.788 -2.826 97 HB3 ASP 12 2HB ASP 12 -2.017 -5.335 -2.652 98 H ILE 13 H ILE 13 -0.206 -4.910 -0.763 99 HA ILE 13 HA ILE 13 2.251 -4.948 -2.054 100 HB ILE 13 HB ILE 13 1.922 -3.733 0.676 101 HG12 ILE 13 1HG1 ILE 13 -0.102 -3.169 -0.633 102 HG13 ILE 13 2HG1 ILE 13 0.905 -1.763 -0.336 103 HG21 ILE 13 1HG2 ILE 13 3.432 -2.881 -1.791 104 HG22 ILE 13 2HG2 ILE 13 4.123 -3.603 -0.338 105 HG23 ILE 13 3HG2 ILE 13 3.388 -2.002 -0.262 106 HD11 ILE 13 3HD1 ILE 13 1.789 -1.928 -2.608 107 HD12 ILE 13 1HD1 ILE 13 0.035 -1.742 -2.586 108 HD13 ILE 13 2HD1 ILE 13 0.751 -3.324 -2.897 109 H HIS 14 H HIS 14 1.273 -6.244 1.068 110 HA HIS 14 HA HIS 14 3.886 -7.063 1.866 111 HB2 HIS 14 1HB HIS 14 1.153 -7.913 2.845 112 HB3 HIS 14 2HB HIS 14 2.674 -8.363 3.610 113 HD1 HIS 14 HD1 HIS 14 3.862 -6.553 5.030 114 HD2 HIS 14 HD2 HIS 14 0.332 -5.298 3.233 115 HE1 HIS 14 HE1 HIS 14 3.332 -4.323 6.059 116 HE2 HIS 14 HE2 HIS 14 1.071 -3.709 5.134 117 H SER 15 H SER 15 1.109 -8.651 0.374 118 HA SER 15 HA SER 15 2.114 -11.263 0.311 119 HB2 SER 15 1HB SER 15 0.259 -9.922 -1.674 120 HB3 SER 15 2HB SER 15 0.453 -11.660 -1.450 121 HG SER 15 HG SER 15 -0.148 -11.114 0.857 122 H THR 16 H THR 16 2.735 -8.505 -1.748 123 HA THR 16 HA THR 16 4.086 -10.064 -3.768 124 HB THR 16 HB THR 16 4.126 -7.049 -3.513 125 HG1 THR 16 HG1 THR 16 1.980 -7.405 -3.571 126 HG21 THR 16 3HG2 THR 16 5.616 -8.038 -5.203 127 HG22 THR 16 1HG2 THR 16 4.298 -7.136 -5.951 128 HG23 THR 16 2HG2 THR 16 4.244 -8.898 -5.902 129 H GLY 17 H GLY 17 4.954 -9.300 -0.731 130 HA2 GLY 17 1HA GLY 17 7.114 -10.058 0.006 131 HA3 GLY 17 2HA GLY 17 7.800 -9.417 -1.481 132 H GLY 18 H GLY 18 5.500 -7.476 0.221 133 HA2 GLY 18 1HA GLY 18 5.800 -5.768 1.791 134 HA3 GLY 18 2HA GLY 18 7.528 -6.112 1.798 135 H ARG 19 H ARG 19 6.609 -5.962 -1.328 136 HA ARG 19 HA ARG 19 6.716 -3.075 -1.624 137 HB2 ARG 19 1HB ARG 19 8.519 -3.455 -3.452 138 HB3 ARG 19 2HB ARG 19 9.028 -3.392 -1.766 139 HG2 ARG 19 1HG ARG 19 9.323 -5.717 -1.657 140 HG3 ARG 19 2HG ARG 19 8.430 -5.984 -3.153 141 HD2 ARG 19 1HD ARG 19 10.920 -4.338 -3.187 142 HD3 ARG 19 2HD ARG 19 11.038 -6.095 -3.135 143 HE ARG 19 HE ARG 19 9.274 -5.538 -5.180 144 HH11 ARG 19 1HH1 ARG 19 12.591 -4.670 -4.431 145 HH12 ARG 19 2HH1 ARG 19 13.099 -4.684 -6.095 146 HH21 ARG 19 1HH2 ARG 19 9.949 -5.530 -7.387 147 HH22 ARG 19 2HH2 ARG 19 11.615 -5.172 -7.758 148 H ARG 20 H ARG 20 5.709 -2.378 -3.470 149 HA ARG 20 HA ARG 20 5.060 -4.381 -5.513 150 HB2 ARG 20 1HB ARG 20 3.057 -4.095 -4.121 151 HB3 ARG 20 2HB ARG 20 3.127 -2.351 -4.368 152 HG2 ARG 20 1HG ARG 20 1.439 -3.329 -5.793 153 HG3 ARG 20 2HG ARG 20 2.761 -2.697 -6.776 154 HD2 ARG 20 1HD ARG 20 2.715 -4.700 -7.776 155 HD3 ARG 20 2HD ARG 20 3.565 -5.264 -6.337 156 HE ARG 20 HE ARG 20 0.983 -5.523 -5.607 157 HH11 ARG 20 1HH1 ARG 20 2.721 -6.525 -8.486 158 HH12 ARG 20 2HH1 ARG 20 1.717 -7.912 -8.757 159 HH21 ARG 20 1HH2 ARG 20 -0.356 -7.322 -5.987 160 HH22 ARG 20 2HH2 ARG 20 -0.061 -8.344 -7.367 161 H GLN 21 H GLN 21 5.811 -3.719 -7.421 162 HA GLN 21 HA GLN 21 6.344 -0.856 -7.775 163 HB2 GLN 21 1HB GLN 21 8.257 -2.354 -8.088 164 HB3 GLN 21 2HB GLN 21 7.373 -3.237 -9.333 165 HG2 GLN 21 1HG GLN 21 7.279 -1.103 -10.641 166 HG3 GLN 21 2HG GLN 21 8.365 -0.397 -9.440 167 HE21 GLN 21 2HE2 GLN 21 10.050 -0.070 -10.843 168 HE22 GLN 21 1HE2 GLN 21 10.965 -1.374 -11.544 169 H VAL 22 H VAL 22 4.807 0.213 -8.746 170 HA VAL 22 HA VAL 22 3.224 -1.135 -10.833 171 HB VAL 22 HB VAL 22 2.485 1.384 -9.333 172 HG11 VAL 22 1HG1 VAL 22 0.231 0.911 -10.159 173 HG12 VAL 22 2HG1 VAL 22 0.845 -0.500 -11.022 174 HG13 VAL 22 3HG1 VAL 22 1.379 1.116 -11.483 175 HG21 VAL 22 3HG2 VAL 22 2.678 -0.481 -7.764 176 HG22 VAL 22 1HG2 VAL 22 1.600 -1.445 -8.773 177 HG23 VAL 22 2HG2 VAL 22 0.995 0.008 -7.976 178 H PHE 23 H PHE 23 3.192 -0.277 -12.875 179 HA PHE 23 HA PHE 23 4.874 2.095 -13.297 180 HB2 PHE 23 1HB PHE 23 5.161 1.298 -15.614 181 HB3 PHE 23 2HB PHE 23 5.718 0.116 -14.439 182 HD1 PHE 23 HD1 PHE 23 4.533 -1.980 -14.128 183 HD2 PHE 23 HD2 PHE 23 3.237 0.873 -17.009 184 HE1 PHE 23 HE1 PHE 23 3.139 -3.699 -15.199 185 HE2 PHE 23 HE2 PHE 23 1.836 -0.842 -18.081 186 HZ PHE 23 HZ PHE 23 1.786 -3.131 -17.176 187 H GLY 24 H GLY 24 4.159 3.789 -14.551 188 HA2 GLY 24 1HA GLY 24 2.629 4.703 -16.185 189 HA3 GLY 24 2HA GLY 24 1.383 3.635 -15.541 190 H SER 25 H SER 25 -0.138 4.901 -14.729 191 HA SER 25 HA SER 25 0.484 6.516 -12.422 192 HB2 SER 25 1HB SER 25 -0.754 7.799 -14.874 193 HB3 SER 25 2HB SER 25 -0.625 8.558 -13.287 194 HG SER 25 HG SER 25 1.768 7.592 -14.120 195 H ARG 26 H ARG 26 -1.880 5.298 -14.739 196 HA ARG 26 HA ARG 26 -4.210 5.959 -13.310 197 HB2 ARG 26 1HB ARG 26 -4.053 5.215 -15.718 198 HB3 ARG 26 2HB ARG 26 -3.864 3.572 -15.123 199 HG2 ARG 26 1HG ARG 26 -6.159 4.028 -15.797 200 HG3 ARG 26 2HG ARG 26 -6.052 3.678 -14.071 201 HD2 ARG 26 1HD ARG 26 -7.548 5.585 -14.605 202 HD3 ARG 26 2HD ARG 26 -6.218 6.013 -13.529 203 HE ARG 26 HE ARG 26 -5.603 6.486 -16.290 204 HH11 ARG 26 1HH1 ARG 26 -7.274 7.826 -13.512 205 HH12 ARG 26 2HH1 ARG 26 -7.052 9.473 -14.028 206 HH21 ARG 26 1HH2 ARG 26 -5.350 8.662 -16.973 207 HH22 ARG 26 2HH2 ARG 26 -5.992 9.942 -15.984 208 H GLU 27 H GLU 27 -2.225 3.025 -13.294 209 HA GLU 27 HA GLU 27 -3.891 1.680 -11.391 210 HB2 GLU 27 1HB GLU 27 -1.139 1.127 -12.489 211 HB3 GLU 27 2HB GLU 27 -1.864 0.130 -11.236 212 HG2 GLU 27 1HG GLU 27 -2.202 -0.947 -13.324 213 HG3 GLU 27 2HG GLU 27 -3.760 -0.326 -12.776 214 H GLN 28 H GLN 28 -1.258 3.907 -11.251 215 HA GLN 28 HA GLN 28 -0.412 3.254 -8.594 216 HB2 GLN 28 1HB GLN 28 0.113 5.732 -10.238 217 HB3 GLN 28 2HB GLN 28 0.955 5.270 -8.768 218 HG2 GLN 28 1HG GLN 28 1.781 3.249 -9.922 219 HG3 GLN 28 2HG GLN 28 1.013 3.827 -11.402 220 HE21 GLN 28 2HE2 GLN 28 3.820 3.314 -10.893 221 HE22 GLN 28 1HE2 GLN 28 4.643 4.812 -11.180 222 H LYS 29 H LYS 29 -2.896 5.187 -9.959 223 HA LYS 29 HA LYS 29 -3.101 7.362 -8.317 224 HB2 LYS 29 1HB LYS 29 -4.483 7.045 -10.297 225 HB3 LYS 29 2HB LYS 29 -5.378 5.766 -9.488 226 HG2 LYS 29 1HG LYS 29 -6.188 7.387 -7.837 227 HG3 LYS 29 2HG LYS 29 -5.311 8.665 -8.680 228 HD2 LYS 29 1HD LYS 29 -6.652 8.298 -10.675 229 HD3 LYS 29 2HD LYS 29 -7.496 6.968 -9.881 230 HE2 LYS 29 1HE LYS 29 -8.345 8.530 -8.191 231 HE3 LYS 29 2HE LYS 29 -7.520 9.855 -9.008 232 HZ1 LYS 29 3HZ LYS 29 -9.891 9.703 -9.564 233 HZ2 LYS 29 1HZ LYS 29 -9.639 8.169 -10.234 234 HZ3 LYS 29 2HZ LYS 29 -8.904 9.531 -10.929 235 HA PRO 30 HA PRO 30 -5.883 4.981 -5.113 236 HB2 PRO 30 1HB PRO 30 -5.500 2.271 -5.020 237 HB3 PRO 30 2HB PRO 30 -6.833 3.055 -5.877 238 HG2 PRO 30 1HG PRO 30 -4.239 2.018 -6.949 239 HG3 PRO 30 2HG PRO 30 -5.869 1.884 -7.635 240 HD2 PRO 30 1HD PRO 30 -4.096 3.681 -8.550 241 HD3 PRO 30 2HD PRO 30 -5.833 4.046 -8.466 242 H PHE 31 H PHE 31 -2.776 3.566 -6.001 243 HA PHE 31 HA PHE 31 -1.890 2.927 -3.405 244 HB2 PHE 31 1HB PHE 31 -0.390 3.528 -5.959 245 HB3 PHE 31 2HB PHE 31 0.401 2.996 -4.479 246 HD1 PHE 31 HD1 PHE 31 -2.351 1.972 -6.784 247 HD2 PHE 31 HD2 PHE 31 0.794 0.754 -4.191 248 HE1 PHE 31 HE1 PHE 31 -2.723 -0.368 -7.441 249 HE2 PHE 31 HE2 PHE 31 0.425 -1.591 -4.842 250 HZ PHE 31 HZ PHE 31 -1.335 -2.154 -6.469 251 H GLU 32 H GLU 32 -1.686 5.832 -5.364 252 HA GLU 32 HA GLU 32 0.144 7.285 -3.812 253 HB2 GLU 32 1HB GLU 32 -2.136 8.322 -5.505 254 HB3 GLU 32 2HB GLU 32 -0.777 9.275 -4.927 255 HG2 GLU 32 1HG GLU 32 0.749 7.860 -6.225 256 HG3 GLU 32 2HG GLU 32 -0.634 6.951 -6.832 257 H ASP 33 H ASP 33 -3.273 6.698 -3.399 258 HA ASP 33 HA ASP 33 -3.692 8.842 -1.549 259 HB2 ASP 33 1HB ASP 33 -5.508 7.809 -2.936 260 HB3 ASP 33 2HB ASP 33 -5.396 6.373 -1.917 261 H LEU 34 H LEU 34 -2.929 5.415 -1.289 262 HA LEU 34 HA LEU 34 -3.143 5.287 1.538 263 HB2 LEU 34 1HB LEU 34 -1.820 3.576 -0.530 264 HB3 LEU 34 2HB LEU 34 -1.476 3.313 1.173 265 HG LEU 34 HG LEU 34 -3.896 2.936 1.574 266 HD11 LEU 34 1HD1 LEU 34 -4.792 4.238 -0.289 267 HD12 LEU 34 2HD1 LEU 34 -5.397 2.581 -0.308 268 HD13 LEU 34 3HD1 LEU 34 -4.126 3.069 -1.428 269 HD21 LEU 34 3HD2 LEU 34 -3.993 0.734 0.509 270 HD22 LEU 34 1HD2 LEU 34 -2.406 1.055 1.207 271 HD23 LEU 34 2HD2 LEU 34 -2.645 1.185 -0.535 272 H VAL 35 H VAL 35 -0.703 6.418 -0.645 273 HA VAL 35 HA VAL 35 1.476 6.533 1.138 274 HB VAL 35 HB VAL 35 0.802 8.406 -1.142 275 HG11 VAL 35 1HG1 VAL 35 2.403 9.415 0.393 276 HG12 VAL 35 2HG1 VAL 35 3.181 8.982 -1.129 277 HG13 VAL 35 3HG1 VAL 35 3.417 7.975 0.300 278 HG21 VAL 35 3HG2 VAL 35 2.360 7.050 -2.441 279 HG22 VAL 35 1HG2 VAL 35 1.019 6.075 -1.840 280 HG23 VAL 35 2HG2 VAL 35 2.597 5.983 -1.056 281 H ASP 36 H ASP 36 -1.157 8.779 0.456 282 HA ASP 36 HA ASP 36 -0.405 10.854 2.189 283 HB2 ASP 36 1HB ASP 36 -2.159 11.131 0.509 284 HB3 ASP 36 2HB ASP 36 -3.169 9.949 1.341 285 H LEU 37 H LEU 37 -2.384 7.983 2.695 286 HA LEU 37 HA LEU 37 -3.077 8.496 5.389 287 HB2 LEU 37 1HB LEU 37 -2.910 5.910 3.844 288 HB3 LEU 37 2HB LEU 37 -3.632 6.072 5.434 289 HG LEU 37 HG LEU 37 -4.614 7.525 2.979 290 HD11 LEU 37 1HD1 LEU 37 -5.666 5.031 4.304 291 HD12 LEU 37 2HD1 LEU 37 -4.905 5.125 2.716 292 HD13 LEU 37 3HD1 LEU 37 -6.457 5.914 2.999 293 HD21 LEU 37 3HD2 LEU 37 -6.589 7.959 4.355 294 HD22 LEU 37 1HD2 LEU 37 -5.136 8.646 5.083 295 HD23 LEU 37 2HD2 LEU 37 -5.820 7.150 5.720 296 H GLY 38 H GLY 38 -0.197 7.408 3.919 297 HA2 GLY 38 1HA GLY 38 1.870 7.145 4.966 298 HA3 GLY 38 2HA GLY 38 1.047 7.093 6.524 299 H TRP 39 H TRP 39 -0.183 5.083 4.014 300 HA TRP 39 HA TRP 39 0.714 2.710 5.462 301 HB2 TRP 39 1HB TRP 39 -1.206 3.056 3.143 302 HB3 TRP 39 2HB TRP 39 -0.811 1.507 3.879 303 HD1 TRP 39 HD1 TRP 39 -1.104 4.026 6.568 304 HE1 TRP 39 HE1 TRP 39 -3.417 3.862 7.709 305 HE3 TRP 39 HE3 TRP 39 -3.491 1.054 3.161 306 HZ2 TRP 39 HZ2 TRP 39 -5.885 2.655 7.226 307 HZ3 TRP 39 HZ3 TRP 39 -5.836 0.438 3.579 308 HH2 TRP 39 HH2 TRP 39 -7.010 1.223 5.572 309 H LEU 40 H LEU 40 1.018 4.321 2.379 310 HA LEU 40 HA LEU 40 3.090 2.387 1.600 311 HB2 LEU 40 1HB LEU 40 1.136 3.959 -0.053 312 HB3 LEU 40 2HB LEU 40 2.609 3.312 -0.751 313 HG LEU 40 HG LEU 40 0.440 1.681 0.566 314 HD11 LEU 40 1HD1 LEU 40 -0.007 0.871 -1.697 315 HD12 LEU 40 2HD1 LEU 40 1.193 1.992 -2.337 316 HD13 LEU 40 3HD1 LEU 40 -0.270 2.610 -1.571 317 HD21 LEU 40 3HD2 LEU 40 2.988 0.884 -0.833 318 HD22 LEU 40 1HD2 LEU 40 1.709 -0.228 -0.356 319 HD23 LEU 40 2HD2 LEU 40 2.604 0.661 0.874 320 H LYS 41 H LYS 41 4.843 3.256 0.325 321 HA LYS 41 HA LYS 41 5.334 6.118 0.700 322 HB2 LYS 41 1HB LYS 41 6.384 4.757 2.552 323 HB3 LYS 41 2HB LYS 41 7.388 3.993 1.324 324 HG2 LYS 41 1HG LYS 41 8.312 6.196 0.738 325 HG3 LYS 41 2HG LYS 41 7.346 6.919 2.034 326 HD2 LYS 41 1HD LYS 41 9.575 6.539 2.850 327 HD3 LYS 41 2HD LYS 41 8.479 5.406 3.643 328 HE2 LYS 41 1HE LYS 41 9.131 3.718 1.902 329 HE3 LYS 41 2HE LYS 41 10.374 4.849 1.371 330 HZ1 LYS 41 3HZ LYS 41 11.114 4.803 3.804 331 HZ2 LYS 41 1HZ LYS 41 11.466 3.452 2.839 332 HZ3 LYS 41 2HZ LYS 41 10.174 3.397 3.930 333 H ARG 42 H ARG 42 6.225 7.046 -1.037 334 HA ARG 42 HA ARG 42 6.643 5.383 -3.383 335 HB2 ARG 42 1HB ARG 42 6.812 8.395 -3.154 336 HB3 ARG 42 2HB ARG 42 6.641 7.449 -4.631 337 HG2 ARG 42 1HG ARG 42 4.424 6.721 -3.907 338 HG3 ARG 42 2HG ARG 42 4.594 7.680 -2.433 339 HD2 ARG 42 1HD ARG 42 3.281 8.933 -3.988 340 HD3 ARG 42 2HD ARG 42 4.864 9.700 -3.868 341 HE ARG 42 HE ARG 42 5.360 8.347 -5.988 342 HH11 ARG 42 1HH1 ARG 42 2.272 9.774 -5.169 343 HH12 ARG 42 2HH1 ARG 42 1.708 9.822 -6.814 344 HH21 ARG 42 1HH2 ARG 42 4.643 8.429 -8.148 345 HH22 ARG 42 2HH2 ARG 42 3.062 9.051 -8.516 346 H SER 43 H SER 43 8.594 4.528 -3.683 347 HA SER 43 HA SER 43 10.920 6.270 -3.595 348 HB2 SER 43 1HB SER 43 10.796 3.696 -1.996 349 HB3 SER 43 2HB SER 43 12.227 4.705 -2.209 350 HG SER 43 HG SER 43 10.200 6.228 -1.352 351 H SER 44 H SER 44 12.823 5.206 -4.590 352 HA SER 44 HA SER 44 13.777 4.191 -6.374 353 HB2 SER 44 1HB SER 44 11.999 1.875 -5.573 354 HB3 SER 44 2HB SER 44 13.475 1.778 -6.535 355 HG SER 44 HG SER 44 14.159 3.048 -4.357 356 H VAL 45 H VAL 45 12.508 5.790 -7.668 357 HA VAL 45 HA VAL 45 10.408 4.509 -9.268 358 HB VAL 45 HB VAL 45 9.884 6.737 -10.134 359 HG11 VAL 45 1HG1 VAL 45 8.762 5.967 -8.124 360 HG12 VAL 45 2HG1 VAL 45 9.015 7.710 -8.063 361 HG13 VAL 45 3HG1 VAL 45 10.053 6.635 -7.128 362 HG21 VAL 45 3HG2 VAL 45 10.936 8.736 -9.182 363 HG22 VAL 45 1HG2 VAL 45 12.101 7.742 -10.056 364 HG23 VAL 45 2HG2 VAL 45 12.066 7.715 -8.293 365 H ASP 46 H ASP 46 10.594 4.124 -11.389 366 HA ASP 46 HA ASP 46 13.035 5.028 -12.762 367 HB2 ASP 46 1HB ASP 46 13.172 2.605 -12.047 368 HB3 ASP 46 2HB ASP 46 11.795 2.287 -13.103 369 H SER 47 H SER 47 12.148 6.539 -14.018 370 HA SER 47 HA SER 47 10.714 7.698 -15.300 371 HB2 SER 47 1HB SER 47 9.966 6.502 -17.411 372 HB3 SER 47 2HB SER 47 11.698 6.550 -17.107 373 HG SER 47 HG SER 47 11.736 4.451 -16.836 374 H ARG 48 H ARG 48 8.861 4.794 -15.998 375 HA ARG 48 HA ARG 48 6.529 6.155 -14.872 376 HB2 ARG 48 1HB ARG 48 6.933 4.115 -16.989 377 HB3 ARG 48 2HB ARG 48 5.422 4.057 -16.090 378 HG2 ARG 48 1HG ARG 48 6.492 6.413 -17.629 379 HG3 ARG 48 2HG ARG 48 5.145 5.368 -18.096 380 HD2 ARG 48 1HD ARG 48 3.994 6.038 -15.988 381 HD3 ARG 48 2HD ARG 48 5.288 7.199 -15.708 382 HE ARG 48 HE ARG 48 3.871 7.411 -18.240 383 HH11 ARG 48 1HH1 ARG 48 4.349 8.581 -14.973 384 HH12 ARG 48 2HH1 ARG 48 3.443 10.043 -15.227 385 HH21 ARG 48 1HH2 ARG 48 2.686 9.347 -18.580 386 HH22 ARG 48 2HH2 ARG 48 2.509 10.481 -17.277 387 H ALA 49 H ALA 49 8.639 3.582 -14.169 388 HA ALA 49 HA ALA 49 6.711 2.064 -12.632 389 HB1 ALA 49 3HB ALA 49 8.602 0.621 -12.079 390 HB2 ALA 49 1HB ALA 49 9.705 1.763 -12.846 391 HB3 ALA 49 2HB ALA 49 8.507 0.907 -13.817 392 H THR 50 H THR 50 6.539 2.003 -10.432 393 HA THR 50 HA THR 50 8.335 3.674 -8.836 394 HB THR 50 HB THR 50 5.317 3.897 -8.731 395 HG1 THR 50 HG1 THR 50 7.245 5.224 -10.160 396 HG21 THR 50 3HG2 THR 50 5.730 5.728 -7.144 397 HG22 THR 50 1HG2 THR 50 7.459 5.381 -7.201 398 HG23 THR 50 2HG2 THR 50 6.341 4.190 -6.533 399 H HIS 51 H HIS 51 9.007 2.562 -7.126 400 HA HIS 51 HA HIS 51 7.659 0.161 -6.258 401 HB2 HIS 51 1HB HIS 51 10.135 1.608 -5.312 402 HB3 HIS 51 2HB HIS 51 9.475 0.224 -4.447 403 HD1 HIS 51 HD1 HIS 51 11.140 -1.545 -4.865 404 HD2 HIS 51 HD2 HIS 51 10.101 0.474 -8.354 405 HE1 HIS 51 HE1 HIS 51 12.302 -2.768 -6.735 406 HE2 HIS 51 HE2 HIS 51 11.760 -1.465 -8.819 407 H TYR 52 H TYR 52 5.914 0.297 -4.977 408 HA TYR 52 HA TYR 52 5.874 2.371 -2.911 409 HB2 TYR 52 1HB TYR 52 3.765 0.405 -3.834 410 HB3 TYR 52 2HB TYR 52 3.563 1.473 -2.440 411 HD1 TYR 52 HD2 TYR 52 3.418 3.905 -2.755 412 HD2 TYR 52 HD1 TYR 52 3.611 1.257 -6.080 413 HE1 TYR 52 HE2 TYR 52 2.644 5.712 -4.228 414 HE2 TYR 52 HE1 TYR 52 2.841 3.062 -7.567 415 HH TYR 52 HH TYR 52 1.531 5.205 -7.340 416 H GLN 53 H GLN 53 6.745 1.927 -1.054 417 HA GLN 53 HA GLN 53 7.234 -0.871 -0.326 418 HB2 GLN 53 1HB GLN 53 9.187 0.621 -0.492 419 HB3 GLN 53 2HB GLN 53 8.476 1.689 0.715 420 HG2 GLN 53 1HG GLN 53 8.622 -0.077 2.381 421 HG3 GLN 53 2HG GLN 53 9.299 -1.172 1.173 422 HE21 GLN 53 2HE2 GLN 53 11.178 -1.470 2.319 423 HE22 GLN 53 1HE2 GLN 53 12.394 -0.242 2.464 424 H ILE 54 H ILE 54 6.603 -1.704 1.634 425 HA ILE 54 HA ILE 54 4.340 -0.537 2.898 426 HB ILE 54 HB ILE 54 4.537 -2.382 4.534 427 HG12 ILE 54 1HG1 ILE 54 6.974 -3.173 2.918 428 HG13 ILE 54 2HG1 ILE 54 7.012 -2.526 4.555 429 HG21 ILE 54 1HG2 ILE 54 4.114 -4.192 2.938 430 HG22 ILE 54 2HG2 ILE 54 4.779 -3.198 1.643 431 HG23 ILE 54 3HG2 ILE 54 3.304 -2.698 2.469 432 HD11 ILE 54 3HD1 ILE 54 5.793 -4.474 5.358 433 HD12 ILE 54 1HD1 ILE 54 7.288 -4.936 4.543 434 HD13 ILE 54 2HD1 ILE 54 5.740 -5.120 3.716 435 H THR 55 H THR 55 4.189 0.740 4.624 436 HA THR 55 HA THR 55 6.614 1.455 6.090 437 HB THR 55 HB THR 55 5.209 3.197 7.134 438 HG1 THR 55 HG1 THR 55 3.036 3.418 6.093 439 HG21 THR 55 3HG2 THR 55 4.953 3.116 4.123 440 HG22 THR 55 1HG2 THR 55 6.341 3.722 5.028 441 HG23 THR 55 2HG2 THR 55 4.789 4.553 5.133 442 H GLU 56 H GLU 56 6.045 1.861 8.566 443 HA GLU 56 HA GLU 56 5.450 -0.601 9.796 444 HB2 GLU 56 1HB GLU 56 6.786 1.127 10.892 445 HB3 GLU 56 2HB GLU 56 5.401 2.209 10.916 446 HG2 GLU 56 1HG GLU 56 4.235 0.688 12.425 447 HG3 GLU 56 2HG GLU 56 5.627 -0.396 12.404 448 H ARG 57 H ARG 57 3.552 2.348 9.333 449 HA ARG 57 HA ARG 57 1.180 1.411 10.547 450 HB2 ARG 57 1HB ARG 57 1.647 3.795 10.134 451 HB3 ARG 57 2HB ARG 57 1.524 3.514 8.400 452 HG2 ARG 57 1HG ARG 57 -0.818 2.944 8.628 453 HG3 ARG 57 2HG ARG 57 -0.711 3.115 10.382 454 HD2 ARG 57 1HD ARG 57 -0.260 5.303 8.353 455 HD3 ARG 57 2HD ARG 57 -1.697 5.101 9.361 456 HE ARG 57 HE ARG 57 0.289 5.228 11.183 457 HH11 ARG 57 1HH1 ARG 57 -0.613 7.282 8.485 458 HH12 ARG 57 2HH1 ARG 57 0.010 8.727 9.221 459 HH21 ARG 57 1HH2 ARG 57 1.135 7.130 12.135 460 HH22 ARG 57 2HH2 ARG 57 1.012 8.639 11.279 461 H GLY 58 H GLY 58 2.330 1.385 7.201 462 HA2 GLY 58 1HA GLY 58 0.037 0.264 6.018 463 HA3 GLY 58 2HA GLY 58 1.678 0.134 5.389 464 H THR 59 H THR 59 2.672 -1.209 7.789 465 HA THR 59 HA THR 59 1.950 -3.897 7.154 466 HB THR 59 HB THR 59 3.533 -2.884 9.527 467 HG1 THR 59 HG1 THR 59 4.565 -2.234 7.634 468 HG21 THR 59 3HG2 THR 59 3.443 -5.604 8.209 469 HG22 THR 59 1HG2 THR 59 2.772 -5.195 9.789 470 HG23 THR 59 2HG2 THR 59 4.515 -5.137 9.530 471 H SER 60 H SER 60 1.328 -1.721 9.863 472 HA SER 60 HA SER 60 -0.125 -3.524 11.456 473 HB2 SER 60 1HB SER 60 0.896 -1.298 12.134 474 HB3 SER 60 2HB SER 60 -0.495 -0.524 11.373 475 HG SER 60 HG SER 60 -0.409 -1.229 13.796 476 H ALA 61 H ALA 61 -1.113 -1.272 8.926 477 HA ALA 61 HA ALA 61 -3.896 -1.458 9.346 478 HB1 ALA 61 3HB ALA 61 -2.434 -0.755 6.804 479 HB2 ALA 61 1HB ALA 61 -2.812 0.370 8.112 480 HB3 ALA 61 2HB ALA 61 -4.115 -0.380 7.189 481 H ALA 62 H ALA 62 -1.744 -3.161 7.092 482 HA ALA 62 HA ALA 62 -3.913 -4.520 5.809 483 HB1 ALA 62 3HB ALA 62 -0.954 -5.048 5.647 484 HB2 ALA 62 1HB ALA 62 -1.862 -3.939 4.619 485 HB3 ALA 62 2HB ALA 62 -2.188 -5.672 4.551 486 H LEU 63 H LEU 63 -1.904 -5.176 8.528 487 HA LEU 63 HA LEU 63 -2.179 -8.041 8.414 488 HB2 LEU 63 1HB LEU 63 -0.202 -6.743 9.333 489 HB3 LEU 63 2HB LEU 63 -1.207 -6.377 10.727 490 HG LEU 63 HG LEU 63 -1.379 -8.778 11.232 491 HD11 LEU 63 1HD1 LEU 63 -1.153 -9.645 8.959 492 HD12 LEU 63 2HD1 LEU 63 0.030 -10.379 10.042 493 HD13 LEU 63 3HD1 LEU 63 0.529 -9.113 8.920 494 HD21 LEU 63 3HD2 LEU 63 1.445 -7.775 10.888 495 HD22 LEU 63 1HD2 LEU 63 0.946 -9.103 11.938 496 HD23 LEU 63 2HD2 LEU 63 0.389 -7.460 12.265 497 H ARG 64 H ARG 64 -4.307 -5.696 9.192 498 HA ARG 64 HA ARG 64 -5.436 -6.662 11.621 499 HB2 ARG 64 1HB ARG 64 -7.270 -5.169 11.176 500 HB3 ARG 64 2HB ARG 64 -5.775 -4.353 10.732 501 HG2 ARG 64 1HG ARG 64 -6.234 -4.431 8.485 502 HG3 ARG 64 2HG ARG 64 -7.287 -5.839 8.639 503 HD2 ARG 64 1HD ARG 64 -7.973 -3.116 9.727 504 HD3 ARG 64 2HD ARG 64 -8.452 -3.674 8.123 505 HE ARG 64 HE ARG 64 -9.474 -5.623 9.525 506 HH11 ARG 64 1HH1 ARG 64 -9.431 -2.211 10.362 507 HH12 ARG 64 2HH1 ARG 64 -10.909 -2.296 11.282 508 HH21 ARG 64 1HH2 ARG 64 -11.369 -5.750 10.770 509 HH22 ARG 64 2HH2 ARG 64 -12.014 -4.308 11.501 510 H SER 65 H SER 65 -7.803 -7.298 11.665 511 HA SER 65 HA SER 65 -8.477 -9.123 9.459 512 HB2 SER 65 1HB SER 65 -9.541 -9.204 12.297 513 HB3 SER 65 2HB SER 65 -9.791 -10.409 11.035 514 HG SER 65 HG SER 65 -7.537 -10.825 11.084 Start of MODEL 14 1 H1 MET 1 1H MET 1 -11.660 6.807 8.132 2 H2 MET 1 2H MET 1 -11.128 5.291 7.587 3 H3 MET 1 3H MET 1 -12.436 6.051 6.829 4 HA MET 1 HA MET 1 -11.020 7.823 6.057 5 HB2 MET 1 1HB MET 1 -8.807 6.181 7.304 6 HB3 MET 1 2HB MET 1 -8.567 7.578 6.259 7 HG2 MET 1 1HG MET 1 -9.666 9.004 7.900 8 HG3 MET 1 2HG MET 1 -9.931 7.604 8.944 9 HE1 MET 1 3HE MET 1 -6.784 8.556 6.751 10 HE2 MET 1 1HE MET 1 -5.790 9.390 7.946 11 HE3 MET 1 2HE MET 1 -7.320 10.095 7.426 12 H ALA 2 H ALA 2 -9.298 4.708 6.097 13 HA ALA 2 HA ALA 2 -9.535 4.559 3.198 14 HB1 ALA 2 3HB ALA 2 -8.149 2.708 5.137 15 HB2 ALA 2 1HB ALA 2 -7.387 4.025 4.246 16 HB3 ALA 2 2HB ALA 2 -8.040 2.635 3.379 17 H THR 3 H THR 3 -10.381 2.659 2.130 18 HA THR 3 HA THR 3 -12.654 1.554 3.635 19 HB THR 3 HB THR 3 -13.174 2.767 1.528 20 HG1 THR 3 HG1 THR 3 -14.450 0.924 2.333 21 HG21 THR 3 3HG2 THR 3 -11.184 2.194 0.240 22 HG22 THR 3 1HG2 THR 3 -12.646 1.722 -0.626 23 HG23 THR 3 2HG2 THR 3 -11.680 0.502 0.205 24 H ALA 4 H ALA 4 -13.285 -0.737 2.871 25 HA ALA 4 HA ALA 4 -11.303 -2.531 3.667 26 HB1 ALA 4 3HB ALA 4 -12.816 -4.293 2.946 27 HB2 ALA 4 1HB ALA 4 -13.761 -3.123 2.024 28 HB3 ALA 4 2HB ALA 4 -13.700 -3.017 3.783 29 H ASP 5 H ASP 5 -12.200 -1.409 0.468 30 HA ASP 5 HA ASP 5 -10.758 -3.226 -1.092 31 HB2 ASP 5 1HB ASP 5 -12.295 -1.685 -2.132 32 HB3 ASP 5 2HB ASP 5 -11.363 -0.301 -1.558 33 H ASP 6 H ASP 6 -9.743 -0.269 0.527 34 HA ASP 6 HA ASP 6 -7.116 -0.212 -0.544 35 HB2 ASP 6 1HB ASP 6 -8.164 1.010 2.022 36 HB3 ASP 6 2HB ASP 6 -6.626 1.402 1.252 37 H PHE 7 H PHE 7 -8.539 -1.592 2.371 38 HA PHE 7 HA PHE 7 -6.195 -2.468 3.591 39 HB2 PHE 7 1HB PHE 7 -9.032 -3.451 3.679 40 HB3 PHE 7 2HB PHE 7 -7.755 -4.299 4.545 41 HD1 PHE 7 HD1 PHE 7 -6.585 -3.212 6.403 42 HD2 PHE 7 HD2 PHE 7 -9.872 -1.352 4.446 43 HE1 PHE 7 HE1 PHE 7 -6.828 -1.662 8.298 44 HE2 PHE 7 HE2 PHE 7 -10.122 0.206 6.335 45 HZ PHE 7 HZ PHE 7 -8.598 0.053 8.265 46 H LYS 8 H LYS 8 -8.242 -4.004 1.157 47 HA LYS 8 HA LYS 8 -6.827 -6.442 1.031 48 HB2 LYS 8 1HB LYS 8 -8.372 -5.064 -1.173 49 HB3 LYS 8 2HB LYS 8 -7.882 -6.751 -1.166 50 HG2 LYS 8 1HG LYS 8 -9.284 -7.089 0.855 51 HG3 LYS 8 2HG LYS 8 -9.854 -5.425 0.681 52 HD2 LYS 8 1HD LYS 8 -10.188 -7.660 -1.323 53 HD3 LYS 8 2HD LYS 8 -11.450 -6.968 -0.305 54 HE2 LYS 8 1HE LYS 8 -11.213 -4.826 -1.425 55 HE3 LYS 8 2HE LYS 8 -9.890 -5.460 -2.404 56 HZ1 LYS 8 3HZ LYS 8 -11.922 -5.469 -3.665 57 HZ2 LYS 8 1HZ LYS 8 -12.720 -6.365 -2.466 58 HZ3 LYS 8 2HZ LYS 8 -11.459 -7.072 -3.355 59 H LEU 9 H LEU 9 -6.448 -3.377 -0.656 60 HA LEU 9 HA LEU 9 -4.499 -4.304 -2.495 61 HB2 LEU 9 1HB LEU 9 -5.952 -2.310 -2.830 62 HB3 LEU 9 2HB LEU 9 -5.031 -1.471 -1.593 63 HG LEU 9 HG LEU 9 -3.581 -2.568 -3.972 64 HD11 LEU 9 1HD1 LEU 9 -5.142 0.010 -3.937 65 HD12 LEU 9 2HD1 LEU 9 -5.492 -1.404 -4.931 66 HD13 LEU 9 3HD1 LEU 9 -4.006 -0.491 -5.190 67 HD21 LEU 9 3HD2 LEU 9 -3.236 -0.104 -2.264 68 HD22 LEU 9 1HD2 LEU 9 -2.177 -0.597 -3.586 69 HD23 LEU 9 2HD2 LEU 9 -2.301 -1.595 -2.137 70 H ILE 10 H ILE 10 -4.265 -2.632 0.642 71 HA ILE 10 HA ILE 10 -1.454 -2.303 0.496 72 HB ILE 10 HB ILE 10 -2.874 -0.967 2.029 73 HG12 ILE 10 1HG1 ILE 10 -1.305 -1.034 3.960 74 HG13 ILE 10 2HG1 ILE 10 -0.630 -2.528 3.318 75 HG21 ILE 10 1HG2 ILE 10 -3.558 -1.891 4.180 76 HG22 ILE 10 2HG2 ILE 10 -2.998 -3.486 3.676 77 HG23 ILE 10 3HG2 ILE 10 -4.351 -2.722 2.840 78 HD11 ILE 10 3HD1 ILE 10 0.765 -0.624 2.765 79 HD12 ILE 10 1HD1 ILE 10 -0.596 0.151 1.950 80 HD13 ILE 10 2HD1 ILE 10 0.080 -1.347 1.308 81 H ARG 11 H ARG 11 -3.499 -4.919 1.653 82 HA ARG 11 HA ARG 11 -1.354 -6.434 2.779 83 HB2 ARG 11 1HB ARG 11 -4.051 -7.370 1.783 84 HB3 ARG 11 2HB ARG 11 -2.931 -8.326 2.745 85 HG2 ARG 11 1HG ARG 11 -3.115 -6.547 4.518 86 HG3 ARG 11 2HG ARG 11 -4.441 -5.866 3.575 87 HD2 ARG 11 1HD ARG 11 -5.438 -7.255 5.206 88 HD3 ARG 11 2HD ARG 11 -5.522 -8.143 3.684 89 HE ARG 11 HE ARG 11 -3.163 -8.821 5.106 90 HH11 ARG 11 1HH1 ARG 11 -6.611 -9.397 5.012 91 HH12 ARG 11 2HH1 ARG 11 -6.524 -10.885 5.903 92 HH21 ARG 11 1HH2 ARG 11 -3.032 -10.777 6.276 93 HH22 ARG 11 2HH2 ARG 11 -4.481 -11.679 6.607 94 H ASP 12 H ASP 12 -2.713 -6.043 -0.393 95 HA ASP 12 HA ASP 12 -1.614 -8.270 -1.698 96 HB2 ASP 12 1HB ASP 12 -3.313 -6.693 -2.651 97 HB3 ASP 12 2HB ASP 12 -2.034 -5.496 -2.847 98 H ILE 13 H ILE 13 -0.309 -5.108 -0.922 99 HA ILE 13 HA ILE 13 2.102 -5.225 -2.300 100 HB ILE 13 HB ILE 13 1.900 -3.988 0.432 101 HG12 ILE 13 1HG1 ILE 13 -0.144 -3.340 -0.767 102 HG13 ILE 13 2HG1 ILE 13 0.943 -1.972 -0.581 103 HG21 ILE 13 1HG2 ILE 13 3.364 -3.221 -2.089 104 HG22 ILE 13 2HG2 ILE 13 4.067 -3.924 -0.633 105 HG23 ILE 13 3HG2 ILE 13 3.380 -2.301 -0.583 106 HD11 ILE 13 3HD1 ILE 13 0.572 -3.605 -3.078 107 HD12 ILE 13 1HD1 ILE 13 1.665 -2.232 -2.895 108 HD13 ILE 13 2HD1 ILE 13 -0.077 -1.994 -2.773 109 H HIS 14 H HIS 14 1.214 -6.406 0.902 110 HA HIS 14 HA HIS 14 3.810 -7.296 1.631 111 HB2 HIS 14 1HB HIS 14 1.077 -8.100 2.657 112 HB3 HIS 14 2HB HIS 14 2.597 -8.605 3.386 113 HD1 HIS 14 HD1 HIS 14 3.936 -6.791 4.707 114 HD2 HIS 14 HD2 HIS 14 0.258 -5.538 3.232 115 HE1 HIS 14 HE1 HIS 14 3.476 -4.575 5.814 116 HE2 HIS 14 HE2 HIS 14 1.131 -3.984 5.106 117 H SER 15 H SER 15 0.999 -8.830 0.174 118 HA SER 15 HA SER 15 1.888 -11.483 0.231 119 HB2 SER 15 1HB SER 15 0.099 -10.226 -1.860 120 HB3 SER 15 2HB SER 15 0.140 -11.921 -1.373 121 HG SER 15 HG SER 15 -1.016 -9.728 -0.115 122 H THR 16 H THR 16 2.490 -8.889 -2.074 123 HA THR 16 HA THR 16 3.709 -10.650 -4.001 124 HB THR 16 HB THR 16 4.330 -8.426 -5.120 125 HG1 THR 16 HG1 THR 16 2.336 -7.320 -3.454 126 HG21 THR 16 3HG2 THR 16 2.042 -8.091 -5.938 127 HG22 THR 16 1HG2 THR 16 1.428 -9.076 -4.611 128 HG23 THR 16 2HG2 THR 16 2.452 -9.805 -5.848 129 H GLY 17 H GLY 17 4.812 -9.645 -1.109 130 HA2 GLY 17 1HA GLY 17 7.126 -10.543 -0.758 131 HA3 GLY 17 2HA GLY 17 7.593 -9.509 -2.104 132 H GLY 18 H GLY 18 5.491 -7.557 -0.802 133 HA2 GLY 18 1HA GLY 18 5.609 -6.328 1.330 134 HA3 GLY 18 2HA GLY 18 7.356 -6.548 1.264 135 H ARG 19 H ARG 19 7.041 -6.043 -1.758 136 HA ARG 19 HA ARG 19 6.606 -3.144 -1.643 137 HB2 ARG 19 1HB ARG 19 8.889 -4.468 -3.127 138 HB3 ARG 19 2HB ARG 19 8.554 -2.740 -3.042 139 HG2 ARG 19 1HG ARG 19 8.898 -2.898 -0.561 140 HG3 ARG 19 2HG ARG 19 9.469 -4.546 -0.819 141 HD2 ARG 19 1HD ARG 19 11.387 -3.156 -0.728 142 HD3 ARG 19 2HD ARG 19 11.157 -3.602 -2.417 143 HE ARG 19 HE ARG 19 9.849 -1.167 -1.926 144 HH11 ARG 19 1HH1 ARG 19 13.077 -2.493 -2.212 145 HH12 ARG 19 2HH1 ARG 19 13.797 -0.971 -2.650 146 HH21 ARG 19 1HH2 ARG 19 10.803 0.839 -2.502 147 HH22 ARG 19 2HH2 ARG 19 12.506 0.908 -2.849 148 H ARG 20 H ARG 20 5.893 -2.207 -3.601 149 HA ARG 20 HA ARG 20 5.096 -4.077 -5.712 150 HB2 ARG 20 1HB ARG 20 3.239 -3.894 -4.076 151 HB3 ARG 20 2HB ARG 20 3.224 -2.153 -4.323 152 HG2 ARG 20 1HG ARG 20 1.433 -3.100 -5.571 153 HG3 ARG 20 2HG ARG 20 2.665 -2.570 -6.716 154 HD2 ARG 20 1HD ARG 20 2.816 -5.368 -5.752 155 HD3 ARG 20 2HD ARG 20 1.494 -4.964 -6.849 156 HE ARG 20 HE ARG 20 3.219 -4.207 -8.438 157 HH11 ARG 20 1HH1 ARG 20 4.200 -6.315 -5.825 158 HH12 ARG 20 2HH1 ARG 20 5.506 -7.036 -6.718 159 HH21 ARG 20 1HH2 ARG 20 4.903 -5.157 -9.642 160 HH22 ARG 20 2HH2 ARG 20 5.914 -6.371 -8.896 161 H GLN 21 H GLN 21 5.785 -3.232 -7.576 162 HA GLN 21 HA GLN 21 6.013 -0.323 -7.793 163 HB2 GLN 21 1HB GLN 21 7.353 -0.767 -9.824 164 HB3 GLN 21 2HB GLN 21 8.031 -1.520 -8.385 165 HG2 GLN 21 1HG GLN 21 7.057 -3.669 -9.075 166 HG3 GLN 21 2HG GLN 21 6.444 -2.899 -10.541 167 HE21 GLN 21 2HE2 GLN 21 7.888 -2.285 -12.149 168 HE22 GLN 21 1HE2 GLN 21 9.517 -2.882 -12.212 169 H VAL 22 H VAL 22 4.778 0.852 -9.134 170 HA VAL 22 HA VAL 22 2.943 -0.597 -10.932 171 HB VAL 22 HB VAL 22 2.310 1.982 -9.483 172 HG11 VAL 22 1HG1 VAL 22 1.114 1.710 -11.577 173 HG12 VAL 22 2HG1 VAL 22 0.011 1.526 -10.213 174 HG13 VAL 22 3HG1 VAL 22 0.581 0.102 -11.085 175 HG21 VAL 22 3HG2 VAL 22 1.395 -0.818 -8.834 176 HG22 VAL 22 1HG2 VAL 22 0.810 0.659 -8.067 177 HG23 VAL 22 2HG2 VAL 22 2.493 0.167 -7.867 178 H PHE 23 H PHE 23 2.639 0.315 -12.983 179 HA PHE 23 HA PHE 23 4.825 2.127 -13.721 180 HB2 PHE 23 1HB PHE 23 3.093 0.393 -15.494 181 HB3 PHE 23 2HB PHE 23 4.532 1.278 -15.987 182 HD1 PHE 23 HD2 PHE 23 6.744 0.492 -15.375 183 HD2 PHE 23 HD1 PHE 23 3.252 -1.661 -14.246 184 HE1 PHE 23 HE2 PHE 23 8.130 -1.471 -14.847 185 HE2 PHE 23 HE1 PHE 23 4.630 -3.628 -13.716 186 HZ PHE 23 HZ PHE 23 7.073 -3.535 -14.018 187 H GLY 24 H GLY 24 1.345 1.870 -13.759 188 HA2 GLY 24 1HA GLY 24 1.189 4.272 -15.467 189 HA3 GLY 24 2HA GLY 24 -0.076 3.055 -15.333 190 H SER 25 H SER 25 0.295 6.090 -14.764 191 HA SER 25 HA SER 25 0.012 6.561 -12.032 192 HB2 SER 25 1HB SER 25 -1.018 8.176 -14.371 193 HB3 SER 25 2HB SER 25 -0.878 8.765 -12.713 194 HG SER 25 HG SER 25 1.316 8.638 -12.838 195 H ARG 26 H ARG 26 -2.399 5.614 -14.413 196 HA ARG 26 HA ARG 26 -4.679 6.246 -12.857 197 HB2 ARG 26 1HB ARG 26 -4.174 4.417 -15.167 198 HB3 ARG 26 2HB ARG 26 -5.678 4.256 -14.275 199 HG2 ARG 26 1HG ARG 26 -6.047 5.655 -16.177 200 HG3 ARG 26 2HG ARG 26 -6.149 6.645 -14.722 201 HD2 ARG 26 1HD ARG 26 -3.888 7.455 -15.098 202 HD3 ARG 26 2HD ARG 26 -3.738 6.422 -16.518 203 HE ARG 26 HE ARG 26 -5.731 8.594 -16.349 204 HH11 ARG 26 1HH1 ARG 26 -3.200 6.867 -18.038 205 HH12 ARG 26 2HH1 ARG 26 -3.326 7.819 -19.486 206 HH21 ARG 26 1HH2 ARG 26 -5.940 9.838 -18.263 207 HH22 ARG 26 2HH2 ARG 26 -4.900 9.505 -19.618 208 H GLU 27 H GLU 27 -2.712 3.314 -13.126 209 HA GLU 27 HA GLU 27 -4.230 1.870 -11.194 210 HB2 GLU 27 1HB GLU 27 -1.396 1.396 -12.141 211 HB3 GLU 27 2HB GLU 27 -2.391 0.260 -11.245 212 HG2 GLU 27 1HG GLU 27 -2.624 -0.546 -13.365 213 HG3 GLU 27 2HG GLU 27 -4.016 0.536 -13.272 214 H GLN 28 H GLN 28 -1.614 4.139 -11.093 215 HA GLN 28 HA GLN 28 -0.638 3.454 -8.510 216 HB2 GLN 28 1HB GLN 28 -0.315 5.979 -10.133 217 HB3 GLN 28 2HB GLN 28 0.564 5.615 -8.654 218 HG2 GLN 28 1HG GLN 28 1.544 3.650 -9.735 219 HG3 GLN 28 2HG GLN 28 0.686 4.054 -11.219 220 HE21 GLN 28 2HE2 GLN 28 3.490 3.770 -10.866 221 HE22 GLN 28 1HE2 GLN 28 4.210 5.292 -11.268 222 H LYS 29 H LYS 29 -3.329 5.285 -9.605 223 HA LYS 29 HA LYS 29 -3.625 7.326 -7.838 224 HB2 LYS 29 1HB LYS 29 -5.761 5.494 -8.910 225 HB3 LYS 29 2HB LYS 29 -6.115 6.951 -7.996 226 HG2 LYS 29 1HG LYS 29 -4.941 8.277 -9.706 227 HG3 LYS 29 2HG LYS 29 -4.677 6.801 -10.637 228 HD2 LYS 29 1HD LYS 29 -6.621 8.052 -11.462 229 HD3 LYS 29 2HD LYS 29 -7.091 6.474 -10.823 230 HE2 LYS 29 1HE LYS 29 -7.692 7.577 -8.686 231 HE3 LYS 29 2HE LYS 29 -7.330 9.135 -9.423 232 HZ1 LYS 29 3HZ LYS 29 -9.406 7.234 -10.373 233 HZ2 LYS 29 1HZ LYS 29 -9.085 8.768 -11.022 234 HZ3 LYS 29 2HZ LYS 29 -9.698 8.623 -9.450 235 HA PRO 30 HA PRO 30 -5.768 4.658 -4.444 236 HB2 PRO 30 1HB PRO 30 -5.412 1.955 -4.536 237 HB3 PRO 30 2HB PRO 30 -6.818 2.783 -5.218 238 HG2 PRO 30 1HG PRO 30 -4.356 1.782 -6.591 239 HG3 PRO 30 2HG PRO 30 -6.048 1.692 -7.115 240 HD2 PRO 30 1HD PRO 30 -4.331 3.527 -8.102 241 HD3 PRO 30 2HD PRO 30 -6.060 3.872 -7.875 242 H PHE 31 H PHE 31 -2.739 3.599 -5.833 243 HA PHE 31 HA PHE 31 -1.569 2.702 -3.402 244 HB2 PHE 31 1HB PHE 31 -0.404 3.439 -6.086 245 HB3 PHE 31 2HB PHE 31 0.576 2.863 -4.741 246 HD1 PHE 31 HD2 PHE 31 -2.219 1.934 -6.984 247 HD2 PHE 31 HD1 PHE 31 0.787 0.574 -4.302 248 HE1 PHE 31 HE2 PHE 31 -2.674 -0.388 -7.658 249 HE2 PHE 31 HE1 PHE 31 0.336 -1.750 -4.972 250 HZ PHE 31 HZ PHE 31 -1.395 -2.233 -6.652 251 H GLU 32 H GLU 32 -1.266 5.677 -5.328 252 HA GLU 32 HA GLU 32 0.466 6.908 -3.424 253 HB2 GLU 32 1HB GLU 32 0.030 9.001 -4.714 254 HB3 GLU 32 2HB GLU 32 0.660 7.666 -5.662 255 HG2 GLU 32 1HG GLU 32 -1.569 7.215 -6.524 256 HG3 GLU 32 2HG GLU 32 -2.214 8.540 -5.555 257 H ASP 33 H ASP 33 -2.982 6.714 -3.803 258 HA ASP 33 HA ASP 33 -3.724 8.683 -1.940 259 HB2 ASP 33 1HB ASP 33 -4.979 6.187 -2.960 260 HB3 ASP 33 2HB ASP 33 -5.590 6.812 -1.429 261 H LEU 34 H LEU 34 -2.820 5.291 -1.516 262 HA LEU 34 HA LEU 34 -3.002 5.291 1.306 263 HB2 LEU 34 1HB LEU 34 -1.463 3.529 -0.597 264 HB3 LEU 34 2HB LEU 34 -1.566 3.239 1.131 265 HG LEU 34 HG LEU 34 -3.844 3.187 -0.850 266 HD11 LEU 34 1HD1 LEU 34 -2.424 1.213 -0.906 267 HD12 LEU 34 2HD1 LEU 34 -3.999 0.835 -0.206 268 HD13 LEU 34 3HD1 LEU 34 -2.593 1.030 0.841 269 HD21 LEU 34 3HD2 LEU 34 -4.585 4.160 1.258 270 HD22 LEU 34 1HD2 LEU 34 -3.901 2.795 2.140 271 HD23 LEU 34 2HD2 LEU 34 -5.254 2.545 1.037 272 H VAL 35 H VAL 35 -0.510 6.257 -0.934 273 HA VAL 35 HA VAL 35 1.656 6.385 0.860 274 HB VAL 35 HB VAL 35 1.086 8.080 -1.581 275 HG11 VAL 35 1HG1 VAL 35 3.469 8.646 -1.551 276 HG12 VAL 35 2HG1 VAL 35 3.653 7.785 -0.023 277 HG13 VAL 35 3HG1 VAL 35 2.648 9.231 -0.104 278 HG21 VAL 35 3HG2 VAL 35 2.831 5.653 -1.181 279 HG22 VAL 35 1HG2 VAL 35 2.724 6.604 -2.663 280 HG23 VAL 35 2HG2 VAL 35 1.315 5.719 -2.080 281 H ASP 36 H ASP 36 -0.835 8.738 0.002 282 HA ASP 36 HA ASP 36 0.132 10.810 1.683 283 HB2 ASP 36 1HB ASP 36 -1.405 11.211 -0.211 284 HB3 ASP 36 2HB ASP 36 -2.678 10.349 0.657 285 H LEU 37 H LEU 37 -2.104 8.143 2.146 286 HA LEU 37 HA LEU 37 -2.924 8.897 4.764 287 HB2 LEU 37 1HB LEU 37 -2.935 6.214 3.380 288 HB3 LEU 37 2HB LEU 37 -3.697 6.540 4.927 289 HG LEU 37 HG LEU 37 -4.452 7.800 2.289 290 HD11 LEU 37 1HD1 LEU 37 -6.511 6.511 2.525 291 HD12 LEU 37 2HD1 LEU 37 -5.889 5.775 4.001 292 HD13 LEU 37 3HD1 LEU 37 -5.102 5.454 2.456 293 HD21 LEU 37 3HD2 LEU 37 -4.779 9.334 4.163 294 HD22 LEU 37 1HD2 LEU 37 -5.699 8.098 5.021 295 HD23 LEU 37 2HD2 LEU 37 -6.322 8.778 3.518 296 H GLY 38 H GLY 38 -0.157 7.281 3.458 297 HA2 GLY 38 1HA GLY 38 1.891 7.275 4.673 298 HA3 GLY 38 2HA GLY 38 0.968 7.196 6.169 299 H TRP 39 H TRP 39 -0.266 5.084 3.848 300 HA TRP 39 HA TRP 39 0.746 2.802 5.334 301 HB2 TRP 39 1HB TRP 39 -1.255 3.084 3.088 302 HB3 TRP 39 2HB TRP 39 -0.767 1.520 3.742 303 HD1 TRP 39 HD1 TRP 39 -1.021 4.075 6.440 304 HE1 TRP 39 HE1 TRP 39 -3.203 3.742 7.773 305 HE3 TRP 39 HE3 TRP 39 -3.407 0.806 3.310 306 HZ2 TRP 39 HZ2 TRP 39 -5.589 2.311 7.532 307 HZ3 TRP 39 HZ3 TRP 39 -5.646 0.003 3.942 308 HH2 TRP 39 HH2 TRP 39 -6.714 0.739 6.010 309 H LEU 40 H LEU 40 1.048 4.263 2.178 310 HA LEU 40 HA LEU 40 3.132 2.297 1.513 311 HB2 LEU 40 1HB LEU 40 1.228 3.821 -0.245 312 HB3 LEU 40 2HB LEU 40 2.708 3.127 -0.882 313 HG LEU 40 HG LEU 40 0.504 1.566 0.469 314 HD11 LEU 40 1HD1 LEU 40 -0.215 2.427 -1.688 315 HD12 LEU 40 2HD1 LEU 40 0.064 0.687 -1.782 316 HD13 LEU 40 3HD1 LEU 40 1.253 1.809 -2.444 317 HD21 LEU 40 3HD2 LEU 40 2.705 0.565 0.777 318 HD22 LEU 40 1HD2 LEU 40 3.011 0.674 -0.957 319 HD23 LEU 40 2HD2 LEU 40 1.741 -0.387 -0.350 320 H LYS 41 H LYS 41 4.960 3.097 0.326 321 HA LYS 41 HA LYS 41 5.483 5.966 0.678 322 HB2 LYS 41 1HB LYS 41 6.494 4.625 2.536 323 HB3 LYS 41 2HB LYS 41 7.431 3.743 1.334 324 HG2 LYS 41 1HG LYS 41 8.518 5.851 0.673 325 HG3 LYS 41 2HG LYS 41 7.617 6.688 1.944 326 HD2 LYS 41 1HD LYS 41 8.645 5.160 3.607 327 HD3 LYS 41 2HD LYS 41 9.615 4.454 2.313 328 HE2 LYS 41 1HE LYS 41 10.602 6.667 1.880 329 HE3 LYS 41 2HE LYS 41 9.666 7.331 3.222 330 HZ1 LYS 41 3HZ LYS 41 10.812 5.611 4.642 331 HZ2 LYS 41 1HZ LYS 41 11.796 6.870 4.066 332 HZ3 LYS 41 2HZ LYS 41 11.861 5.344 3.337 333 H ARG 42 H ARG 42 6.465 6.899 -1.046 334 HA ARG 42 HA ARG 42 7.015 5.202 -3.356 335 HB2 ARG 42 1HB ARG 42 7.227 8.211 -3.173 336 HB3 ARG 42 2HB ARG 42 7.133 7.235 -4.635 337 HG2 ARG 42 1HG ARG 42 4.842 6.600 -4.059 338 HG3 ARG 42 2HG ARG 42 4.940 7.600 -2.604 339 HD2 ARG 42 1HD ARG 42 5.080 8.509 -5.475 340 HD3 ARG 42 2HD ARG 42 3.814 8.861 -4.299 341 HE ARG 42 HE ARG 42 6.389 9.782 -3.446 342 HH11 ARG 42 1HH1 ARG 42 3.618 10.572 -5.441 343 HH12 ARG 42 2HH1 ARG 42 3.916 12.283 -5.387 344 HH21 ARG 42 1HH2 ARG 42 6.796 12.012 -3.401 345 HH22 ARG 42 2HH2 ARG 42 5.735 13.109 -4.243 346 H SER 43 H SER 43 8.964 4.236 -3.202 347 HA SER 43 HA SER 43 11.203 5.643 -2.024 348 HB2 SER 43 1HB SER 43 11.140 2.903 -3.308 349 HB3 SER 43 2HB SER 43 12.390 3.545 -2.242 350 HG SER 43 HG SER 43 10.906 3.558 -0.552 351 H SER 44 H SER 44 10.799 3.866 -5.087 352 HA SER 44 HA SER 44 12.596 5.824 -6.337 353 HB2 SER 44 1HB SER 44 12.559 2.832 -6.790 354 HB3 SER 44 2HB SER 44 13.618 3.988 -7.603 355 HG SER 44 HG SER 44 14.605 4.436 -5.643 356 H VAL 45 H VAL 45 11.632 6.853 -7.932 357 HA VAL 45 HA VAL 45 9.601 5.441 -9.528 358 HB VAL 45 HB VAL 45 10.257 8.396 -9.560 359 HG11 VAL 45 1HG1 VAL 45 7.920 6.856 -10.685 360 HG12 VAL 45 2HG1 VAL 45 9.230 7.588 -11.612 361 HG13 VAL 45 3HG1 VAL 45 8.106 8.610 -10.715 362 HG21 VAL 45 3HG2 VAL 45 9.404 7.769 -7.367 363 HG22 VAL 45 1HG2 VAL 45 8.025 6.966 -8.119 364 HG23 VAL 45 2HG2 VAL 45 8.209 8.715 -8.255 365 H ASP 46 H ASP 46 10.646 4.324 -11.062 366 HA ASP 46 HA ASP 46 12.834 5.647 -12.520 367 HB2 ASP 46 1HB ASP 46 12.205 2.706 -12.190 368 HB3 ASP 46 2HB ASP 46 13.458 3.334 -13.257 369 H SER 47 H SER 47 11.911 6.676 -14.167 370 HA SER 47 HA SER 47 10.701 7.116 -16.034 371 HB2 SER 47 1HB SER 47 12.244 5.339 -16.888 372 HB3 SER 47 2HB SER 47 10.994 4.144 -16.553 373 HG SER 47 HG SER 47 10.921 4.789 -18.721 374 H ARG 48 H ARG 48 8.979 7.503 -14.465 375 HA ARG 48 HA ARG 48 6.848 7.564 -13.822 376 HB2 ARG 48 1HB ARG 48 5.081 6.915 -15.242 377 HB3 ARG 48 2HB ARG 48 6.392 7.450 -16.273 378 HG2 ARG 48 1HG ARG 48 6.921 5.176 -16.856 379 HG3 ARG 48 2HG ARG 48 5.724 4.572 -15.708 380 HD2 ARG 48 1HD ARG 48 3.929 5.438 -16.985 381 HD3 ARG 48 2HD ARG 48 5.014 6.399 -17.987 382 HE ARG 48 HE ARG 48 5.744 4.376 -19.047 383 HH11 ARG 48 1HH1 ARG 48 2.972 4.027 -16.946 384 HH12 ARG 48 2HH1 ARG 48 2.406 2.573 -17.712 385 HH21 ARG 48 1HH2 ARG 48 5.000 2.482 -20.084 386 HH22 ARG 48 2HH2 ARG 48 3.551 1.698 -19.515 387 H ALA 49 H ALA 49 8.124 4.342 -14.260 388 HA ALA 49 HA ALA 49 6.171 2.996 -12.711 389 HB1 ALA 49 3HB ALA 49 7.689 1.806 -14.207 390 HB2 ALA 49 1HB ALA 49 7.816 1.196 -12.557 391 HB3 ALA 49 2HB ALA 49 9.058 2.272 -13.198 392 H THR 50 H THR 50 5.762 3.303 -10.654 393 HA THR 50 HA THR 50 7.853 4.481 -8.961 394 HB THR 50 HB THR 50 4.842 4.521 -8.658 395 HG1 THR 50 HG1 THR 50 6.163 5.888 -10.292 396 HG21 THR 50 3HG2 THR 50 5.947 4.556 -6.474 397 HG22 THR 50 1HG2 THR 50 5.253 6.134 -6.843 398 HG23 THR 50 2HG2 THR 50 6.989 5.875 -7.011 399 H HIS 51 H HIS 51 8.748 3.243 -7.473 400 HA HIS 51 HA HIS 51 7.580 0.658 -6.816 401 HB2 HIS 51 1HB HIS 51 10.212 1.940 -6.038 402 HB3 HIS 51 2HB HIS 51 9.711 0.327 -5.533 403 HD1 HIS 51 HD1 HIS 51 10.182 -1.560 -7.110 404 HD2 HIS 51 HD2 HIS 51 10.666 2.170 -8.889 405 HE1 HIS 51 HE1 HIS 51 11.211 -2.005 -9.361 406 HE2 HIS 51 HE2 HIS 51 11.622 0.269 -10.361 407 H TYR 52 H TYR 52 6.168 0.509 -5.217 408 HA TYR 52 HA TYR 52 6.254 2.446 -3.022 409 HB2 TYR 52 1HB TYR 52 4.158 0.389 -3.765 410 HB3 TYR 52 2HB TYR 52 4.026 1.535 -2.430 411 HD1 TYR 52 HD1 TYR 52 3.671 3.909 -2.864 412 HD2 TYR 52 HD2 TYR 52 3.847 1.097 -6.048 413 HE1 TYR 52 HE1 TYR 52 2.679 5.573 -4.385 414 HE2 TYR 52 HE2 TYR 52 2.859 2.748 -7.576 415 HH TYR 52 HH TYR 52 2.557 6.044 -6.782 416 H GLN 53 H GLN 53 6.668 1.893 -0.956 417 HA GLN 53 HA GLN 53 7.280 -0.938 -0.410 418 HB2 GLN 53 1HB GLN 53 9.325 0.399 -0.508 419 HB3 GLN 53 2HB GLN 53 8.659 1.534 0.661 420 HG2 GLN 53 1HG GLN 53 8.687 -0.150 2.381 421 HG3 GLN 53 2HG GLN 53 9.216 -1.372 1.221 422 HE21 GLN 53 2HE2 GLN 53 10.435 1.897 1.172 423 HE22 GLN 53 1HE2 GLN 53 12.035 1.517 1.713 424 H ILE 54 H ILE 54 6.525 -1.802 1.488 425 HA ILE 54 HA ILE 54 4.319 -0.593 2.775 426 HB ILE 54 HB ILE 54 4.545 -2.454 4.434 427 HG12 ILE 54 1HG1 ILE 54 6.839 -3.298 2.646 428 HG13 ILE 54 2HG1 ILE 54 7.010 -2.690 4.288 429 HG21 ILE 54 1HG2 ILE 54 4.562 -3.211 1.519 430 HG22 ILE 54 2HG2 ILE 54 3.166 -2.667 2.451 431 HG23 ILE 54 3HG2 ILE 54 3.940 -4.206 2.834 432 HD11 ILE 54 3HD1 ILE 54 5.611 -5.224 3.470 433 HD12 ILE 54 1HD1 ILE 54 5.751 -4.615 5.120 434 HD13 ILE 54 2HD1 ILE 54 7.196 -5.099 4.231 435 H THR 55 H THR 55 4.187 0.716 4.472 436 HA THR 55 HA THR 55 6.635 1.439 5.893 437 HB THR 55 HB THR 55 5.313 3.293 6.818 438 HG1 THR 55 HG1 THR 55 3.128 3.534 5.856 439 HG21 THR 55 3HG2 THR 55 6.413 3.633 4.659 440 HG22 THR 55 1HG2 THR 55 4.894 4.524 4.738 441 HG23 THR 55 2HG2 THR 55 4.986 3.019 3.825 442 H GLU 56 H GLU 56 6.084 2.043 8.316 443 HA GLU 56 HA GLU 56 5.424 -0.227 9.799 444 HB2 GLU 56 1HB GLU 56 6.634 1.764 10.670 445 HB3 GLU 56 2HB GLU 56 5.130 2.671 10.622 446 HG2 GLU 56 1HG GLU 56 5.504 1.987 12.860 447 HG3 GLU 56 2HG GLU 56 4.166 1.033 12.221 448 H ARG 57 H ARG 57 3.453 2.519 8.771 449 HA ARG 57 HA ARG 57 1.058 1.723 10.051 450 HB2 ARG 57 1HB ARG 57 1.346 3.385 7.542 451 HB3 ARG 57 2HB ARG 57 -0.054 3.330 8.606 452 HG2 ARG 57 1HG ARG 57 1.294 4.320 10.403 453 HG3 ARG 57 2HG ARG 57 2.671 4.411 9.298 454 HD2 ARG 57 1HD ARG 57 1.260 5.788 7.774 455 HD3 ARG 57 2HD ARG 57 0.010 5.800 9.020 456 HE ARG 57 HE ARG 57 2.424 6.727 10.129 457 HH11 ARG 57 1HH1 ARG 57 -0.089 7.668 7.894 458 HH12 ARG 57 2HH1 ARG 57 0.198 9.373 8.075 459 HH21 ARG 57 1HH2 ARG 57 2.807 8.962 10.399 460 HH22 ARG 57 2HH2 ARG 57 1.853 10.116 9.504 461 H GLY 58 H GLY 58 2.286 1.285 6.754 462 HA2 GLY 58 1HA GLY 58 0.055 -0.077 5.716 463 HA3 GLY 58 2HA GLY 58 1.698 -0.181 5.087 464 H THR 59 H THR 59 2.751 -1.202 7.632 465 HA THR 59 HA THR 59 2.194 -3.983 7.258 466 HB THR 59 HB THR 59 3.686 -2.711 9.561 467 HG1 THR 59 HG1 THR 59 4.608 -2.091 7.540 468 HG21 THR 59 3HG2 THR 59 3.810 -5.475 8.347 469 HG22 THR 59 1HG2 THR 59 3.098 -5.057 9.907 470 HG23 THR 59 2HG2 THR 59 4.834 -4.882 9.654 471 H SER 60 H SER 60 1.522 -1.629 9.820 472 HA SER 60 HA SER 60 0.132 -3.341 11.547 473 HB2 SER 60 1HB SER 60 0.997 -1.111 12.192 474 HB3 SER 60 2HB SER 60 -0.232 -0.352 11.177 475 HG SER 60 HG SER 60 -1.060 -2.191 13.129 476 H ALA 61 H ALA 61 -0.962 -1.414 8.802 477 HA ALA 61 HA ALA 61 -3.727 -1.692 9.162 478 HB1 ALA 61 3HB ALA 61 -3.915 -1.124 6.797 479 HB2 ALA 61 1HB ALA 61 -2.191 -1.422 6.583 480 HB3 ALA 61 2HB ALA 61 -2.735 -0.094 7.608 481 H ALA 62 H ALA 62 -1.385 -3.764 7.524 482 HA ALA 62 HA ALA 62 -3.364 -5.603 6.570 483 HB1 ALA 62 3HB ALA 62 -1.470 -6.994 5.927 484 HB2 ALA 62 1HB ALA 62 -0.379 -5.948 6.835 485 HB3 ALA 62 2HB ALA 62 -1.226 -5.322 5.419 486 H LEU 63 H LEU 63 -1.444 -5.240 9.442 487 HA LEU 63 HA LEU 63 -1.928 -7.896 10.426 488 HB2 LEU 63 1HB LEU 63 0.092 -6.528 10.984 489 HB3 LEU 63 2HB LEU 63 -0.942 -5.470 11.930 490 HG LEU 63 HG LEU 63 -1.497 -7.357 13.419 491 HD11 LEU 63 1HD1 LEU 63 0.522 -8.876 11.773 492 HD12 LEU 63 2HD1 LEU 63 -1.217 -9.174 11.817 493 HD13 LEU 63 3HD1 LEU 63 -0.240 -9.441 13.261 494 HD21 LEU 63 3HD2 LEU 63 0.345 -5.878 13.998 495 HD22 LEU 63 1HD2 LEU 63 1.459 -6.872 13.058 496 HD23 LEU 63 2HD2 LEU 63 0.693 -7.532 14.504 497 H ARG 64 H ARG 64 -3.909 -5.300 10.053 498 HA ARG 64 HA ARG 64 -5.360 -5.364 12.511 499 HB2 ARG 64 1HB ARG 64 -6.253 -4.447 9.769 500 HB3 ARG 64 2HB ARG 64 -7.118 -4.152 11.269 501 HG2 ARG 64 1HG ARG 64 -4.355 -3.129 10.643 502 HG3 ARG 64 2HG ARG 64 -5.843 -2.200 10.471 503 HD2 ARG 64 1HD ARG 64 -4.865 -1.571 12.539 504 HD3 ARG 64 2HD ARG 64 -6.250 -2.591 12.918 505 HE ARG 64 HE ARG 64 -3.564 -3.778 12.840 506 HH11 ARG 64 1HH1 ARG 64 -6.398 -2.809 14.633 507 HH12 ARG 64 2HH1 ARG 64 -5.965 -3.688 16.067 508 HH21 ARG 64 1HH2 ARG 64 -2.993 -4.976 14.717 509 HH22 ARG 64 2HH2 ARG 64 -4.034 -4.942 16.111 510 H SER 65 H SER 65 -5.164 -7.445 9.836 511 HA SER 65 HA SER 65 -7.557 -8.884 10.763 512 HB2 SER 65 1HB SER 65 -7.690 -7.923 8.411 513 HB3 SER 65 2HB SER 65 -6.394 -9.032 7.972 514 HG SER 65 HG SER 65 -8.658 -9.737 7.603 Start of MODEL 15 1 H1 MET 1 1H MET 1 -11.090 5.555 7.035 2 H2 MET 1 2H MET 1 -10.636 7.084 7.615 3 H3 MET 1 3H MET 1 -9.483 6.079 6.884 4 HA MET 1 HA MET 1 -11.839 7.279 5.557 5 HB2 MET 1 1HB MET 1 -10.055 8.902 6.096 6 HB3 MET 1 2HB MET 1 -8.894 7.895 5.233 7 HG2 MET 1 1HG MET 1 -10.017 8.290 3.151 8 HG3 MET 1 2HG MET 1 -11.325 9.147 3.974 9 HE1 MET 1 3HE MET 1 -11.060 11.522 5.112 10 HE2 MET 1 1HE MET 1 -9.512 12.347 5.281 11 HE3 MET 1 2HE MET 1 -9.797 10.826 6.127 12 H ALA 2 H ALA 2 -8.990 5.220 5.327 13 HA ALA 2 HA ALA 2 -9.355 4.425 2.639 14 HB1 ALA 2 3HB ALA 2 -8.054 2.935 4.916 15 HB2 ALA 2 1HB ALA 2 -7.259 4.091 3.849 16 HB3 ALA 2 2HB ALA 2 -7.869 2.568 3.202 17 H THR 3 H THR 3 -10.374 2.612 1.763 18 HA THR 3 HA THR 3 -12.562 1.596 3.436 19 HB THR 3 HB THR 3 -13.072 2.761 1.255 20 HG1 THR 3 HG1 THR 3 -14.756 1.409 0.851 21 HG21 THR 3 3HG2 THR 3 -11.256 1.857 -0.098 22 HG22 THR 3 1HG2 THR 3 -12.820 1.472 -0.817 23 HG23 THR 3 2HG2 THR 3 -11.927 0.233 0.066 24 H ALA 4 H ALA 4 -13.265 -0.724 2.407 25 HA ALA 4 HA ALA 4 -11.402 -2.533 3.458 26 HB1 ALA 4 3HB ALA 4 -13.694 -3.106 1.586 27 HB2 ALA 4 1HB ALA 4 -13.803 -2.982 3.342 28 HB3 ALA 4 2HB ALA 4 -12.864 -4.282 2.606 29 H ASP 5 H ASP 5 -11.935 -1.428 0.169 30 HA ASP 5 HA ASP 5 -10.266 -3.373 -1.068 31 HB2 ASP 5 1HB ASP 5 -11.968 -2.122 -2.329 32 HB3 ASP 5 2HB ASP 5 -11.057 -0.633 -2.075 33 H ASP 6 H ASP 6 -9.655 -0.287 0.466 34 HA ASP 6 HA ASP 6 -6.996 0.056 -0.459 35 HB2 ASP 6 1HB ASP 6 -8.367 1.017 2.059 36 HB3 ASP 6 2HB ASP 6 -6.712 1.452 1.633 37 H PHE 7 H PHE 7 -8.380 -1.504 2.404 38 HA PHE 7 HA PHE 7 -6.000 -2.479 3.486 39 HB2 PHE 7 1HB PHE 7 -8.847 -3.455 3.622 40 HB3 PHE 7 2HB PHE 7 -7.538 -4.289 4.456 41 HD1 PHE 7 HD2 PHE 7 -9.551 -1.229 4.318 42 HD2 PHE 7 HD1 PHE 7 -6.497 -3.342 6.392 43 HE1 PHE 7 HE2 PHE 7 -9.769 0.325 6.210 44 HE2 PHE 7 HE1 PHE 7 -6.710 -1.793 8.292 45 HZ PHE 7 HZ PHE 7 -8.347 0.045 8.201 46 H LYS 8 H LYS 8 -8.215 -3.808 1.114 47 HA LYS 8 HA LYS 8 -6.991 -6.265 0.622 48 HB2 LYS 8 1HB LYS 8 -9.104 -5.952 -0.315 49 HB3 LYS 8 2HB LYS 8 -8.672 -4.396 -1.009 50 HG2 LYS 8 1HG LYS 8 -7.312 -5.480 -2.684 51 HG3 LYS 8 2HG LYS 8 -7.634 -7.059 -1.952 52 HD2 LYS 8 1HD LYS 8 -9.840 -7.075 -2.649 53 HD3 LYS 8 2HD LYS 8 -9.910 -5.318 -2.807 54 HE2 LYS 8 1HE LYS 8 -8.249 -7.099 -4.569 55 HE3 LYS 8 2HE LYS 8 -9.886 -6.578 -4.968 56 HZ1 LYS 8 3HZ LYS 8 -9.057 -4.246 -4.730 57 HZ2 LYS 8 1HZ LYS 8 -8.384 -5.105 -6.035 58 HZ3 LYS 8 2HZ LYS 8 -7.483 -4.874 -4.622 59 H LEU 9 H LEU 9 -6.349 -3.072 -0.700 60 HA LEU 9 HA LEU 9 -4.400 -3.944 -2.575 61 HB2 LEU 9 1HB LEU 9 -5.786 -1.846 -2.701 62 HB3 LEU 9 2HB LEU 9 -4.769 -1.174 -1.438 63 HG LEU 9 HG LEU 9 -3.565 -2.149 -4.016 64 HD11 LEU 9 1HD1 LEU 9 -4.717 0.585 -3.489 65 HD12 LEU 9 2HD1 LEU 9 -5.358 -0.609 -4.618 66 HD13 LEU 9 3HD1 LEU 9 -3.773 0.114 -4.903 67 HD21 LEU 9 3HD2 LEU 9 -1.849 -0.505 -3.490 68 HD22 LEU 9 1HD2 LEU 9 -2.064 -1.623 -2.141 69 HD23 LEU 9 2HD2 LEU 9 -2.750 0.001 -2.060 70 H ILE 10 H ILE 10 -4.210 -2.549 0.700 71 HA ILE 10 HA ILE 10 -1.382 -2.312 0.639 72 HB ILE 10 HB ILE 10 -2.862 -1.021 2.194 73 HG12 ILE 10 1HG1 ILE 10 -1.267 -1.095 4.094 74 HG13 ILE 10 2HG1 ILE 10 -0.580 -2.574 3.430 75 HG21 ILE 10 1HG2 ILE 10 -4.290 -2.837 2.961 76 HG22 ILE 10 2HG2 ILE 10 -3.511 -2.023 4.317 77 HG23 ILE 10 3HG2 ILE 10 -2.914 -3.589 3.767 78 HD11 ILE 10 3HD1 ILE 10 0.771 -0.613 2.909 79 HD12 ILE 10 1HD1 ILE 10 -0.599 0.106 2.064 80 HD13 ILE 10 2HD1 ILE 10 0.138 -1.375 1.451 81 H ARG 11 H ARG 11 -3.553 -4.910 1.609 82 HA ARG 11 HA ARG 11 -1.537 -6.588 2.716 83 HB2 ARG 11 1HB ARG 11 -4.164 -7.324 1.409 84 HB3 ARG 11 2HB ARG 11 -3.142 -8.440 2.300 85 HG2 ARG 11 1HG ARG 11 -3.453 -7.089 4.322 86 HG3 ARG 11 2HG ARG 11 -4.509 -6.002 3.417 87 HD2 ARG 11 1HD ARG 11 -4.964 -8.917 4.028 88 HD3 ARG 11 2HD ARG 11 -5.879 -7.538 4.637 89 HE ARG 11 HE ARG 11 -5.836 -8.211 1.765 90 HH11 ARG 11 1HH1 ARG 11 -7.585 -7.504 4.723 91 HH12 ARG 11 2HH1 ARG 11 -9.145 -7.536 3.937 92 HH21 ARG 11 1HH2 ARG 11 -7.851 -8.223 0.747 93 HH22 ARG 11 2HH2 ARG 11 -9.292 -7.887 1.665 94 H ASP 12 H ASP 12 -2.808 -6.045 -0.494 95 HA ASP 12 HA ASP 12 -1.621 -8.139 -1.896 96 HB2 ASP 12 1HB ASP 12 -3.333 -6.541 -2.775 97 HB3 ASP 12 2HB ASP 12 -2.073 -5.312 -2.883 98 H ILE 13 H ILE 13 -0.351 -5.000 -0.937 99 HA ILE 13 HA ILE 13 2.081 -5.021 -2.284 100 HB ILE 13 HB ILE 13 1.803 -3.962 0.521 101 HG12 ILE 13 1HG1 ILE 13 -0.171 -3.220 -0.741 102 HG13 ILE 13 2HG1 ILE 13 0.917 -1.876 -0.414 103 HG21 ILE 13 1HG2 ILE 13 4.024 -3.880 -0.474 104 HG22 ILE 13 2HG2 ILE 13 3.366 -2.257 -0.275 105 HG23 ILE 13 3HG2 ILE 13 3.380 -3.012 -1.868 106 HD11 ILE 13 3HD1 ILE 13 1.767 -2.014 -2.692 107 HD12 ILE 13 1HD1 ILE 13 0.022 -1.762 -2.658 108 HD13 ILE 13 2HD1 ILE 13 0.675 -3.360 -3.015 109 H HIS 14 H HIS 14 1.193 -6.352 0.861 110 HA HIS 14 HA HIS 14 3.802 -7.256 1.534 111 HB2 HIS 14 1HB HIS 14 1.082 -8.056 2.588 112 HB3 HIS 14 2HB HIS 14 2.607 -8.605 3.276 113 HD1 HIS 14 HD1 HIS 14 4.074 -6.766 4.485 114 HD2 HIS 14 HD2 HIS 14 0.259 -5.563 3.358 115 HE1 HIS 14 HE1 HIS 14 3.647 -4.607 5.719 116 HE2 HIS 14 HE2 HIS 14 1.238 -4.056 5.218 117 H SER 15 H SER 15 1.006 -8.717 -0.020 118 HA SER 15 HA SER 15 2.027 -11.354 -0.158 119 HB2 SER 15 1HB SER 15 -0.031 -9.977 -1.899 120 HB3 SER 15 2HB SER 15 0.245 -11.718 -1.825 121 HG SER 15 HG SER 15 -1.016 -11.758 -0.164 122 H THR 16 H THR 16 2.832 -8.522 -1.874 123 HA THR 16 HA THR 16 3.935 -9.968 -4.150 124 HB THR 16 HB THR 16 4.228 -7.020 -3.520 125 HG1 THR 16 HG1 THR 16 1.993 -7.631 -3.669 126 HG21 THR 16 3HG2 THR 16 4.550 -6.811 -5.949 127 HG22 THR 16 1HG2 THR 16 4.405 -8.561 -6.118 128 HG23 THR 16 2HG2 THR 16 5.764 -7.870 -5.232 129 H GLY 17 H GLY 17 4.823 -9.508 -1.035 130 HA2 GLY 17 1HA GLY 17 6.974 -10.465 -0.386 131 HA3 GLY 17 2HA GLY 17 7.694 -9.579 -1.728 132 H GLY 18 H GLY 18 5.544 -7.471 -0.610 133 HA2 GLY 18 1HA GLY 18 5.642 -6.161 1.474 134 HA3 GLY 18 2HA GLY 18 7.389 -6.385 1.428 135 H ARG 19 H ARG 19 7.003 -6.026 -1.633 136 HA ARG 19 HA ARG 19 6.711 -3.103 -1.631 137 HB2 ARG 19 1HB ARG 19 8.891 -4.610 -3.095 138 HB3 ARG 19 2HB ARG 19 8.657 -2.863 -3.062 139 HG2 ARG 19 1HG ARG 19 9.126 -2.853 -0.661 140 HG3 ARG 19 2HG ARG 19 9.385 -4.597 -0.711 141 HD2 ARG 19 1HD ARG 19 10.982 -2.495 -2.160 142 HD3 ARG 19 2HD ARG 19 11.504 -3.433 -0.763 143 HE ARG 19 HE ARG 19 10.755 -5.033 -3.050 144 HH11 ARG 19 1HH1 ARG 19 13.338 -3.367 -1.373 145 HH12 ARG 19 2HH1 ARG 19 14.604 -4.226 -2.204 146 HH21 ARG 19 1HH2 ARG 19 12.406 -6.157 -4.153 147 HH22 ARG 19 2HH2 ARG 19 14.074 -5.825 -3.785 148 H ARG 20 H ARG 20 5.705 -2.277 -3.409 149 HA ARG 20 HA ARG 20 5.008 -4.157 -5.574 150 HB2 ARG 20 1HB ARG 20 3.129 -3.721 -3.936 151 HB3 ARG 20 2HB ARG 20 3.183 -2.034 -4.434 152 HG2 ARG 20 1HG ARG 20 1.407 -3.078 -5.610 153 HG3 ARG 20 2HG ARG 20 2.707 -2.796 -6.767 154 HD2 ARG 20 1HD ARG 20 3.357 -5.084 -6.706 155 HD3 ARG 20 2HD ARG 20 2.291 -5.409 -5.338 156 HE ARG 20 HE ARG 20 0.670 -4.483 -7.375 157 HH11 ARG 20 1HH1 ARG 20 2.804 -7.187 -6.828 158 HH12 ARG 20 2HH1 ARG 20 1.920 -8.275 -7.855 159 HH21 ARG 20 1HH2 ARG 20 -0.507 -5.887 -8.747 160 HH22 ARG 20 2HH2 ARG 20 0.053 -7.519 -8.979 161 H GLN 21 H GLN 21 5.326 -3.338 -7.618 162 HA GLN 21 HA GLN 21 6.114 -0.508 -7.727 163 HB2 GLN 21 1HB GLN 21 7.577 -1.096 -9.625 164 HB3 GLN 21 2HB GLN 21 8.027 -1.920 -8.137 165 HG2 GLN 21 1HG GLN 21 6.847 -3.941 -8.963 166 HG3 GLN 21 2HG GLN 21 6.561 -3.099 -10.489 167 HE21 GLN 21 2HE2 GLN 21 7.761 -4.545 -11.700 168 HE22 GLN 21 1HE2 GLN 21 9.493 -4.636 -11.600 169 H VAL 22 H VAL 22 4.850 0.769 -8.799 170 HA VAL 22 HA VAL 22 3.251 -0.308 -11.031 171 HB VAL 22 HB VAL 22 2.387 1.891 -9.137 172 HG11 VAL 22 1HG1 VAL 22 0.892 0.407 -11.295 173 HG12 VAL 22 2HG1 VAL 22 1.426 2.087 -11.358 174 HG13 VAL 22 3HG1 VAL 22 0.191 1.596 -10.198 175 HG21 VAL 22 3HG2 VAL 22 2.465 -0.245 -7.959 176 HG22 VAL 22 1HG2 VAL 22 1.483 -0.986 -9.223 177 HG23 VAL 22 2HG2 VAL 22 0.798 0.282 -8.205 178 H PHE 23 H PHE 23 3.390 0.856 -12.918 179 HA PHE 23 HA PHE 23 5.342 3.032 -12.835 180 HB2 PHE 23 1HB PHE 23 5.591 2.582 -15.297 181 HB3 PHE 23 2HB PHE 23 6.085 1.272 -14.235 182 HD1 PHE 23 HD2 PHE 23 4.635 -0.733 -14.000 183 HD2 PHE 23 HD1 PHE 23 3.863 2.302 -16.883 184 HE1 PHE 23 HE2 PHE 23 3.192 -2.288 -15.244 185 HE2 PHE 23 HE1 PHE 23 2.422 0.748 -18.133 186 HZ PHE 23 HZ PHE 23 2.085 -1.550 -17.315 187 H GLY 24 H GLY 24 2.313 3.180 -12.432 188 HA2 GLY 24 1HA GLY 24 1.624 5.582 -12.592 189 HA3 GLY 24 2HA GLY 24 1.977 5.433 -14.309 190 H SER 25 H SER 25 -0.020 5.977 -14.949 191 HA SER 25 HA SER 25 -2.140 5.763 -15.624 192 HB2 SER 25 1HB SER 25 -2.993 3.592 -16.186 193 HB3 SER 25 2HB SER 25 -1.266 3.595 -16.522 194 HG SER 25 HG SER 25 -2.625 1.903 -15.008 195 H ARG 26 H ARG 26 -4.299 4.321 -14.919 196 HA ARG 26 HA ARG 26 -5.177 5.607 -12.583 197 HB2 ARG 26 1HB ARG 26 -6.692 4.936 -14.352 198 HB3 ARG 26 2HB ARG 26 -6.288 3.245 -14.104 199 HG2 ARG 26 1HG ARG 26 -7.208 3.630 -11.716 200 HG3 ARG 26 2HG ARG 26 -7.979 5.049 -12.435 201 HD2 ARG 26 1HD ARG 26 -9.431 3.051 -12.472 202 HD3 ARG 26 2HD ARG 26 -9.068 3.664 -14.088 203 HE ARG 26 HE ARG 26 -7.203 1.670 -13.292 204 HH11 ARG 26 1HH1 ARG 26 -10.463 2.077 -14.515 205 HH12 ARG 26 2HH1 ARG 26 -10.501 0.508 -15.257 206 HH21 ARG 26 1HH2 ARG 26 -7.235 -0.351 -14.275 207 HH22 ARG 26 2HH2 ARG 26 -8.666 -0.889 -15.116 208 H GLU 27 H GLU 27 -3.496 2.651 -13.072 209 HA GLU 27 HA GLU 27 -4.332 1.230 -10.783 210 HB2 GLU 27 1HB GLU 27 -1.967 1.053 -12.616 211 HB3 GLU 27 2HB GLU 27 -2.021 0.080 -11.151 212 HG2 GLU 27 1HG GLU 27 -2.792 -1.127 -13.148 213 HG3 GLU 27 2HG GLU 27 -4.021 -1.021 -11.887 214 H GLN 28 H GLN 28 -1.931 3.729 -11.274 215 HA GLN 28 HA GLN 28 -0.585 3.191 -8.784 216 HB2 GLN 28 1HB GLN 28 0.566 4.132 -10.794 217 HB3 GLN 28 2HB GLN 28 -0.337 5.626 -10.557 218 HG2 GLN 28 1HG GLN 28 0.717 5.972 -8.418 219 HG3 GLN 28 2HG GLN 28 1.539 4.419 -8.538 220 HE21 GLN 28 2HE2 GLN 28 3.297 4.206 -9.922 221 HE22 GLN 28 1HE2 GLN 28 4.119 5.584 -10.581 222 H LYS 29 H LYS 29 -3.314 5.014 -9.753 223 HA LYS 29 HA LYS 29 -3.238 7.207 -8.062 224 HB2 LYS 29 1HB LYS 29 -5.615 5.675 -9.104 225 HB3 LYS 29 2HB LYS 29 -5.735 7.217 -8.270 226 HG2 LYS 29 1HG LYS 29 -4.336 6.679 -10.880 227 HG3 LYS 29 2HG LYS 29 -5.830 7.588 -10.638 228 HD2 LYS 29 1HD LYS 29 -3.117 8.334 -9.555 229 HD3 LYS 29 2HD LYS 29 -3.903 9.075 -10.950 230 HE2 LYS 29 1HE LYS 29 -5.716 9.859 -9.529 231 HE3 LYS 29 2HE LYS 29 -4.986 9.069 -8.135 232 HZ1 LYS 29 3HZ LYS 29 -3.775 11.290 -9.694 233 HZ2 LYS 29 1HZ LYS 29 -3.079 10.535 -8.341 234 HZ3 LYS 29 2HZ LYS 29 -4.509 11.431 -8.171 235 HA PRO 30 HA PRO 30 -5.603 4.760 -4.638 236 HB2 PRO 30 1HB PRO 30 -5.354 2.037 -4.697 237 HB3 PRO 30 2HB PRO 30 -6.737 2.921 -5.354 238 HG2 PRO 30 1HG PRO 30 -4.371 1.773 -6.768 239 HG3 PRO 30 2HG PRO 30 -6.073 1.802 -7.265 240 HD2 PRO 30 1HD PRO 30 -4.227 3.505 -8.271 241 HD3 PRO 30 2HD PRO 30 -5.930 3.960 -8.066 242 H PHE 31 H PHE 31 -2.576 3.685 -5.991 243 HA PHE 31 HA PHE 31 -1.448 2.766 -3.528 244 HB2 PHE 31 1HB PHE 31 -0.304 3.393 -6.239 245 HB3 PHE 31 2HB PHE 31 0.724 2.953 -4.878 246 HD1 PHE 31 HD1 PHE 31 -2.143 1.756 -6.905 247 HD2 PHE 31 HD2 PHE 31 1.095 0.729 -4.351 248 HE1 PHE 31 HE1 PHE 31 -2.526 -0.625 -7.388 249 HE2 PHE 31 HE2 PHE 31 0.717 -1.650 -4.825 250 HZ PHE 31 HZ PHE 31 -1.093 -2.332 -6.346 251 H GLU 32 H GLU 32 -1.085 5.690 -5.498 252 HA GLU 32 HA GLU 32 0.717 6.983 -3.732 253 HB2 GLU 32 1HB GLU 32 0.126 9.040 -4.989 254 HB3 GLU 32 2HB GLU 32 0.571 7.697 -6.031 255 HG2 GLU 32 1HG GLU 32 -1.789 7.256 -6.466 256 HG3 GLU 32 2HG GLU 32 -2.229 8.610 -5.427 257 H ASP 33 H ASP 33 -2.706 6.616 -3.794 258 HA ASP 33 HA ASP 33 -3.426 8.725 -2.057 259 HB2 ASP 33 1HB ASP 33 -5.017 7.394 -3.482 260 HB3 ASP 33 2HB ASP 33 -4.827 6.059 -2.341 261 H LEU 34 H LEU 34 -2.609 5.326 -1.492 262 HA LEU 34 HA LEU 34 -3.002 5.356 1.293 263 HB2 LEU 34 1HB LEU 34 -1.261 3.612 -0.441 264 HB3 LEU 34 2HB LEU 34 -1.512 3.339 1.276 265 HG LEU 34 HG LEU 34 -3.605 3.210 -0.896 266 HD11 LEU 34 1HD1 LEU 34 -3.749 0.859 -0.244 267 HD12 LEU 34 2HD1 LEU 34 -2.444 1.103 0.919 268 HD13 LEU 34 3HD1 LEU 34 -2.131 1.277 -0.809 269 HD21 LEU 34 3HD2 LEU 34 -3.904 2.852 2.083 270 HD22 LEU 34 1HD2 LEU 34 -5.151 2.532 0.878 271 HD23 LEU 34 2HD2 LEU 34 -4.562 4.177 1.122 272 H VAL 35 H VAL 35 -0.406 6.467 -0.705 273 HA VAL 35 HA VAL 35 1.638 6.600 1.235 274 HB VAL 35 HB VAL 35 1.154 8.394 -1.153 275 HG11 VAL 35 1HG1 VAL 35 3.525 8.971 -0.980 276 HG12 VAL 35 2HG1 VAL 35 3.650 8.022 0.501 277 HG13 VAL 35 3HG1 VAL 35 2.636 9.465 0.461 278 HG21 VAL 35 3HG2 VAL 35 2.910 5.967 -0.820 279 HG22 VAL 35 1HG2 VAL 35 2.832 6.988 -2.255 280 HG23 VAL 35 2HG2 VAL 35 1.419 6.054 -1.761 281 H ASP 36 H ASP 36 -0.983 8.788 0.363 282 HA ASP 36 HA ASP 36 -0.222 10.912 2.084 283 HB2 ASP 36 1HB ASP 36 -1.816 11.177 0.194 284 HB3 ASP 36 2HB ASP 36 -2.994 10.206 1.081 285 H LEU 37 H LEU 37 -2.238 8.065 2.462 286 HA LEU 37 HA LEU 37 -3.123 8.686 5.098 287 HB2 LEU 37 1HB LEU 37 -3.007 6.062 3.609 288 HB3 LEU 37 2HB LEU 37 -3.823 6.310 5.142 289 HG LEU 37 HG LEU 37 -4.548 7.676 2.549 290 HD11 LEU 37 1HD1 LEU 37 -5.912 5.441 4.040 291 HD12 LEU 37 2HD1 LEU 37 -5.063 5.299 2.502 292 HD13 LEU 37 3HD1 LEU 37 -6.537 6.260 2.609 293 HD21 LEU 37 3HD2 LEU 37 -6.540 8.420 3.774 294 HD22 LEU 37 1HD2 LEU 37 -5.057 9.055 4.487 295 HD23 LEU 37 2HD2 LEU 37 -5.892 7.703 5.251 296 H GLY 38 H GLY 38 -0.220 7.475 3.783 297 HA2 GLY 38 1HA GLY 38 1.780 7.395 5.036 298 HA3 GLY 38 2HA GLY 38 0.829 7.124 6.493 299 H TRP 39 H TRP 39 -0.349 5.163 4.073 300 HA TRP 39 HA TRP 39 0.630 2.825 5.445 301 HB2 TRP 39 1HB TRP 39 -1.152 3.136 3.020 302 HB3 TRP 39 2HB TRP 39 -0.769 1.590 3.772 303 HD1 TRP 39 HD1 TRP 39 -1.412 4.434 6.181 304 HE1 TRP 39 HE1 TRP 39 -3.712 4.099 7.294 305 HE3 TRP 39 HE3 TRP 39 -3.190 0.614 3.279 306 HZ2 TRP 39 HZ2 TRP 39 -5.947 2.457 6.999 307 HZ3 TRP 39 HZ3 TRP 39 -5.429 -0.282 3.769 308 HH2 TRP 39 HH2 TRP 39 -6.779 0.620 5.591 309 H LEU 40 H LEU 40 1.151 4.379 2.337 310 HA LEU 40 HA LEU 40 3.179 2.339 1.724 311 HB2 LEU 40 1HB LEU 40 1.385 3.929 -0.083 312 HB3 LEU 40 2HB LEU 40 2.862 3.194 -0.679 313 HG LEU 40 HG LEU 40 0.543 1.715 0.569 314 HD11 LEU 40 1HD1 LEU 40 1.494 1.862 -2.288 315 HD12 LEU 40 2HD1 LEU 40 0.015 2.576 -1.645 316 HD13 LEU 40 3HD1 LEU 40 0.204 0.822 -1.683 317 HD21 LEU 40 3HD2 LEU 40 3.098 0.696 -0.674 318 HD22 LEU 40 1HD2 LEU 40 1.751 -0.301 -0.128 319 HD23 LEU 40 2HD2 LEU 40 2.682 0.637 1.040 320 H LYS 41 H LYS 41 5.064 3.018 0.645 321 HA LYS 41 HA LYS 41 5.747 5.862 0.950 322 HB2 LYS 41 1HB LYS 41 6.718 4.772 2.859 323 HB3 LYS 41 2HB LYS 41 7.308 3.439 1.872 324 HG2 LYS 41 1HG LYS 41 9.177 4.767 2.400 325 HG3 LYS 41 2HG LYS 41 8.793 5.101 0.709 326 HD2 LYS 41 1HD LYS 41 7.567 7.134 1.460 327 HD3 LYS 41 2HD LYS 41 8.139 6.820 3.100 328 HE2 LYS 41 1HE LYS 41 9.821 7.386 0.664 329 HE3 LYS 41 2HE LYS 41 9.581 8.444 2.054 330 HZ1 LYS 41 3HZ LYS 41 10.890 5.776 2.147 331 HZ2 LYS 41 1HZ LYS 41 10.722 6.855 3.447 332 HZ3 LYS 41 2HZ LYS 41 11.706 7.260 2.128 333 H ARG 42 H ARG 42 6.392 6.645 -0.975 334 HA ARG 42 HA ARG 42 7.151 4.868 -3.097 335 HB2 ARG 42 1HB ARG 42 7.556 6.986 -4.366 336 HB3 ARG 42 2HB ARG 42 5.929 6.822 -3.725 337 HG2 ARG 42 1HG ARG 42 6.527 8.332 -1.882 338 HG3 ARG 42 2HG ARG 42 8.143 8.517 -2.578 339 HD2 ARG 42 1HD ARG 42 6.828 10.394 -3.260 340 HD3 ARG 42 2HD ARG 42 7.062 9.357 -4.666 341 HE ARG 42 HE ARG 42 4.568 9.582 -3.109 342 HH11 ARG 42 1HH1 ARG 42 6.263 8.776 -6.071 343 HH12 ARG 42 2HH1 ARG 42 4.797 8.551 -6.989 344 HH21 ARG 42 1HH2 ARG 42 2.646 9.285 -4.308 345 HH22 ARG 42 2HH2 ARG 42 2.755 8.817 -5.983 346 H SER 43 H SER 43 9.049 3.919 -3.100 347 HA SER 43 HA SER 43 11.195 5.064 -1.507 348 HB2 SER 43 1HB SER 43 10.526 2.722 -1.137 349 HB3 SER 43 2HB SER 43 10.941 2.341 -2.807 350 HG SER 43 HG SER 43 12.912 3.556 -1.242 351 H SER 44 H SER 44 10.574 4.033 -4.837 352 HA SER 44 HA SER 44 12.733 5.675 -5.781 353 HB2 SER 44 1HB SER 44 13.935 3.783 -6.881 354 HB3 SER 44 2HB SER 44 14.013 3.734 -5.120 355 HG SER 44 HG SER 44 13.465 1.703 -5.662 356 H VAL 45 H VAL 45 12.600 6.142 -7.946 357 HA VAL 45 HA VAL 45 10.334 4.959 -9.406 358 HB VAL 45 HB VAL 45 11.869 7.483 -10.072 359 HG11 VAL 45 1HG1 VAL 45 10.014 7.919 -11.621 360 HG12 VAL 45 2HG1 VAL 45 9.309 6.357 -11.206 361 HG13 VAL 45 3HG1 VAL 45 10.870 6.430 -12.024 362 HG21 VAL 45 3HG2 VAL 45 9.883 8.691 -9.287 363 HG22 VAL 45 1HG2 VAL 45 10.634 7.759 -7.991 364 HG23 VAL 45 2HG2 VAL 45 9.166 7.166 -8.768 365 H ASP 46 H ASP 46 11.151 3.154 -10.318 366 HA ASP 46 HA ASP 46 13.801 3.237 -11.550 367 HB2 ASP 46 1HB ASP 46 13.269 1.321 -10.107 368 HB3 ASP 46 2HB ASP 46 11.902 0.912 -11.146 369 H SER 47 H SER 47 13.933 3.871 -13.573 370 HA SER 47 HA SER 47 13.393 4.471 -15.688 371 HB2 SER 47 1HB SER 47 11.387 2.201 -15.597 372 HB3 SER 47 2HB SER 47 12.027 2.978 -17.043 373 HG SER 47 HG SER 47 14.149 2.244 -16.274 374 H ARG 48 H ARG 48 10.121 3.324 -14.980 375 HA ARG 48 HA ARG 48 9.365 6.017 -14.129 376 HB2 ARG 48 1HB ARG 48 7.520 6.212 -15.583 377 HB3 ARG 48 2HB ARG 48 8.853 5.699 -16.606 378 HG2 ARG 48 1HG ARG 48 8.013 3.456 -16.678 379 HG3 ARG 48 2HG ARG 48 6.765 3.840 -15.490 380 HD2 ARG 48 1HD ARG 48 7.011 4.915 -18.294 381 HD3 ARG 48 2HD ARG 48 5.771 3.826 -17.675 382 HE ARG 48 HE ARG 48 5.781 6.226 -16.174 383 HH11 ARG 48 1HH1 ARG 48 4.768 4.889 -19.248 384 HH12 ARG 48 2HH1 ARG 48 3.614 6.149 -19.559 385 HH21 ARG 48 1HH2 ARG 48 4.251 7.889 -16.579 386 HH22 ARG 48 2HH2 ARG 48 3.320 7.852 -18.056 387 H ALA 49 H ALA 49 9.537 2.865 -13.465 388 HA ALA 49 HA ALA 49 6.909 2.429 -12.362 389 HB1 ALA 49 3HB ALA 49 9.425 0.794 -12.071 390 HB2 ALA 49 1HB ALA 49 8.185 0.563 -13.303 391 HB3 ALA 49 2HB ALA 49 7.800 0.295 -11.603 392 H THR 50 H THR 50 6.306 3.349 -10.547 393 HA THR 50 HA THR 50 8.245 4.288 -8.623 394 HB THR 50 HB THR 50 5.226 4.333 -8.423 395 HG1 THR 50 HG1 THR 50 6.907 5.698 -10.060 396 HG21 THR 50 3HG2 THR 50 5.614 6.206 -6.892 397 HG22 THR 50 1HG2 THR 50 7.356 6.012 -7.088 398 HG23 THR 50 2HG2 THR 50 6.410 4.743 -6.312 399 H HIS 51 H HIS 51 9.049 2.995 -7.134 400 HA HIS 51 HA HIS 51 7.752 0.493 -6.458 401 HB2 HIS 51 1HB HIS 51 10.356 1.768 -5.607 402 HB3 HIS 51 2HB HIS 51 9.777 0.248 -4.932 403 HD1 HIS 51 HD1 HIS 51 11.482 -1.320 -5.865 404 HD2 HIS 51 HD2 HIS 51 9.787 1.105 -8.794 405 HE1 HIS 51 HE1 HIS 51 12.328 -2.211 -8.062 406 HE2 HIS 51 HE2 HIS 51 11.185 -0.818 -9.817 407 H TYR 52 H TYR 52 6.177 0.470 -4.993 408 HA TYR 52 HA TYR 52 6.228 2.421 -2.818 409 HB2 TYR 52 1HB TYR 52 4.081 0.540 -3.804 410 HB3 TYR 52 2HB TYR 52 3.927 1.491 -2.324 411 HD1 TYR 52 HD1 TYR 52 3.818 3.942 -2.435 412 HD2 TYR 52 HD2 TYR 52 3.849 1.569 -5.965 413 HE1 TYR 52 HE1 TYR 52 3.018 5.872 -3.727 414 HE2 TYR 52 HE2 TYR 52 3.042 3.497 -7.272 415 HH TYR 52 HH TYR 52 1.754 5.632 -6.804 416 H GLN 53 H GLN 53 6.978 1.941 -0.956 417 HA GLN 53 HA GLN 53 7.482 -0.862 -0.245 418 HB2 GLN 53 1HB GLN 53 9.440 0.607 -0.391 419 HB3 GLN 53 2HB GLN 53 8.705 1.722 0.754 420 HG2 GLN 53 1HG GLN 53 8.848 0.047 2.503 421 HG3 GLN 53 2HG GLN 53 9.527 -1.112 1.355 422 HE21 GLN 53 2HE2 GLN 53 11.417 -1.336 2.531 423 HE22 GLN 53 1HE2 GLN 53 12.623 -0.101 2.588 424 H ILE 54 H ILE 54 6.663 -1.722 1.611 425 HA ILE 54 HA ILE 54 4.426 -0.511 2.845 426 HB ILE 54 HB ILE 54 4.633 -2.378 4.516 427 HG12 ILE 54 1HG1 ILE 54 6.948 -3.155 2.725 428 HG13 ILE 54 2HG1 ILE 54 7.062 -2.680 4.415 429 HG21 ILE 54 1HG2 ILE 54 4.012 -4.107 2.887 430 HG22 ILE 54 2HG2 ILE 54 4.617 -3.081 1.586 431 HG23 ILE 54 3HG2 ILE 54 3.236 -2.560 2.550 432 HD11 ILE 54 3HD1 ILE 54 5.663 -5.129 3.369 433 HD12 ILE 54 1HD1 ILE 54 5.805 -4.657 5.062 434 HD13 ILE 54 2HD1 ILE 54 7.248 -5.086 4.143 435 H THR 55 H THR 55 4.174 0.551 4.746 436 HA THR 55 HA THR 55 6.625 1.319 6.183 437 HB THR 55 HB THR 55 5.347 3.222 7.041 438 HG1 THR 55 HG1 THR 55 3.183 3.481 5.890 439 HG21 THR 55 3HG2 THR 55 5.080 2.932 4.045 440 HG22 THR 55 1HG2 THR 55 6.499 3.527 4.908 441 HG23 THR 55 2HG2 THR 55 4.996 4.450 4.939 442 H GLU 56 H GLU 56 5.847 2.025 8.575 443 HA GLU 56 HA GLU 56 5.086 -0.249 10.025 444 HB2 GLU 56 1HB GLU 56 6.272 1.562 11.092 445 HB3 GLU 56 2HB GLU 56 4.981 2.692 10.718 446 HG2 GLU 56 1HG GLU 56 3.488 1.360 12.206 447 HG3 GLU 56 2HG GLU 56 4.902 0.412 12.674 448 H ARG 57 H ARG 57 3.234 2.541 8.881 449 HA ARG 57 HA ARG 57 0.743 1.797 9.962 450 HB2 ARG 57 1HB ARG 57 1.337 3.412 7.474 451 HB3 ARG 57 2HB ARG 57 -0.234 3.306 8.259 452 HG2 ARG 57 1HG ARG 57 2.259 4.443 9.511 453 HG3 ARG 57 2HG ARG 57 0.955 5.384 8.785 454 HD2 ARG 57 1HD ARG 57 -0.045 5.394 10.770 455 HD3 ARG 57 2HD ARG 57 -0.298 3.657 10.589 456 HE ARG 57 HE ARG 57 2.296 4.102 11.572 457 HH11 ARG 57 1HH1 ARG 57 -1.040 4.424 12.583 458 HH12 ARG 57 2HH1 ARG 57 -0.699 4.142 14.266 459 HH21 ARG 57 1HH2 ARG 57 2.772 3.761 13.777 460 HH22 ARG 57 2HH2 ARG 57 1.485 3.803 14.954 461 H GLY 58 H GLY 58 2.172 1.256 6.760 462 HA2 GLY 58 1HA GLY 58 -0.046 -0.105 5.669 463 HA3 GLY 58 2HA GLY 58 1.607 -0.190 5.064 464 H THR 59 H THR 59 2.648 -1.244 7.601 465 HA THR 59 HA THR 59 2.094 -4.009 7.178 466 HB THR 59 HB THR 59 3.591 -2.703 9.461 467 HG1 THR 59 HG1 THR 59 4.806 -2.253 7.724 468 HG21 THR 59 3HG2 THR 59 4.633 -4.904 9.750 469 HG22 THR 59 1HG2 THR 59 3.610 -5.561 8.472 470 HG23 THR 59 2HG2 THR 59 2.888 -4.994 9.978 471 H SER 60 H SER 60 1.283 -1.679 9.723 472 HA SER 60 HA SER 60 -0.058 -3.559 11.368 473 HB2 SER 60 1HB SER 60 0.895 -1.321 12.084 474 HB3 SER 60 2HB SER 60 -0.517 -0.571 11.332 475 HG SER 60 HG SER 60 -1.842 -1.656 12.791 476 H ALA 61 H ALA 61 -1.137 -1.381 8.796 477 HA ALA 61 HA ALA 61 -3.909 -1.626 9.261 478 HB1 ALA 61 3HB ALA 61 -4.184 -0.773 6.990 479 HB2 ALA 61 1HB ALA 61 -2.475 -1.066 6.668 480 HB3 ALA 61 2HB ALA 61 -2.953 0.136 7.867 481 H ALA 62 H ALA 62 -1.749 -3.379 7.063 482 HA ALA 62 HA ALA 62 -3.784 -5.097 6.051 483 HB1 ALA 62 3HB ALA 62 -1.948 -6.338 5.028 484 HB2 ALA 62 1HB ALA 62 -0.786 -5.428 5.996 485 HB3 ALA 62 2HB ALA 62 -1.758 -4.602 4.778 486 H LEU 63 H LEU 63 -1.714 -5.135 8.814 487 HA LEU 63 HA LEU 63 -2.024 -7.925 9.390 488 HB2 LEU 63 1HB LEU 63 -0.103 -6.495 10.135 489 HB3 LEU 63 2HB LEU 63 -1.202 -5.688 11.242 490 HG LEU 63 HG LEU 63 -1.586 -7.862 12.380 491 HD11 LEU 63 1HD1 LEU 63 -0.043 -9.708 11.928 492 HD12 LEU 63 2HD1 LEU 63 0.628 -8.812 10.565 493 HD13 LEU 63 3HD1 LEU 63 -1.052 -9.349 10.526 494 HD21 LEU 63 3HD2 LEU 63 0.586 -7.915 13.502 495 HD22 LEU 63 1HD2 LEU 63 0.038 -6.260 13.234 496 HD23 LEU 63 2HD2 LEU 63 1.284 -6.955 12.197 497 H ARG 64 H ARG 64 -3.799 -5.021 10.012 498 HA ARG 64 HA ARG 64 -5.302 -5.987 12.236 499 HB2 ARG 64 1HB ARG 64 -5.031 -3.579 11.793 500 HB3 ARG 64 2HB ARG 64 -5.947 -3.751 10.301 501 HG2 ARG 64 1HG ARG 64 -7.895 -4.494 11.630 502 HG3 ARG 64 2HG ARG 64 -6.967 -4.192 13.099 503 HD2 ARG 64 1HD ARG 64 -6.748 -1.834 12.464 504 HD3 ARG 64 2HD ARG 64 -7.694 -2.142 11.008 505 HE ARG 64 HE ARG 64 -8.959 -2.845 13.533 506 HH11 ARG 64 1HH1 ARG 64 -8.582 -0.447 10.997 507 HH12 ARG 64 2HH1 ARG 64 -10.076 0.361 11.369 508 HH21 ARG 64 1HH2 ARG 64 -10.916 -1.755 14.027 509 HH22 ARG 64 2HH2 ARG 64 -11.399 -0.380 13.076 510 H SER 65 H SER 65 -6.153 -5.474 8.810 511 HA SER 65 HA SER 65 -8.346 -7.396 9.190 512 HB2 SER 65 1HB SER 65 -8.129 -5.159 7.160 513 HB3 SER 65 2HB SER 65 -9.501 -6.251 7.354 514 HG SER 65 HG SER 65 -9.684 -4.144 8.426 Start of MODEL 16 1 H1 MET 1 1H MET 1 -9.273 8.014 0.116 2 H2 MET 1 2H MET 1 -7.673 7.867 0.650 3 H3 MET 1 3H MET 1 -8.543 9.293 0.955 4 HA MET 1 HA MET 1 -8.363 7.894 2.928 5 HB2 MET 1 1HB MET 1 -10.302 9.412 2.579 6 HB3 MET 1 2HB MET 1 -11.178 8.081 1.826 7 HG2 MET 1 1HG MET 1 -11.207 6.854 3.881 8 HG3 MET 1 2HG MET 1 -10.149 8.036 4.655 9 HE1 MET 1 3HE MET 1 -13.227 8.717 2.253 10 HE2 MET 1 1HE MET 1 -14.528 8.872 3.432 11 HE3 MET 1 2HE MET 1 -13.721 7.320 3.209 12 H ALA 2 H ALA 2 -8.614 5.918 3.913 13 HA ALA 2 HA ALA 2 -8.393 3.711 2.102 14 HB1 ALA 2 3HB ALA 2 -7.861 2.403 4.063 15 HB2 ALA 2 1HB ALA 2 -8.399 3.716 5.110 16 HB3 ALA 2 2HB ALA 2 -6.980 3.930 4.086 17 H THR 3 H THR 3 -10.047 2.650 1.284 18 HA THR 3 HA THR 3 -12.417 2.178 2.963 19 HB THR 3 HB THR 3 -12.747 3.086 0.635 20 HG1 THR 3 HG1 THR 3 -14.450 1.612 0.158 21 HG21 THR 3 3HG2 THR 3 -11.784 0.347 -0.192 22 HG22 THR 3 1HG2 THR 3 -10.964 1.876 -0.505 23 HG23 THR 3 2HG2 THR 3 -12.524 1.541 -1.259 24 H ALA 4 H ALA 4 -13.354 -0.194 2.255 25 HA ALA 4 HA ALA 4 -11.670 -2.036 3.548 26 HB1 ALA 4 3HB ALA 4 -13.294 -3.725 2.916 27 HB2 ALA 4 1HB ALA 4 -13.996 -2.632 1.722 28 HB3 ALA 4 2HB ALA 4 -14.116 -2.255 3.441 29 H ASP 5 H ASP 5 -12.127 -1.288 0.165 30 HA ASP 5 HA ASP 5 -10.714 -3.438 -0.963 31 HB2 ASP 5 1HB ASP 5 -12.148 -1.908 -2.256 32 HB3 ASP 5 2HB ASP 5 -10.992 -0.604 -1.986 33 H ASP 6 H ASP 6 -9.641 -0.284 0.207 34 HA ASP 6 HA ASP 6 -6.978 -0.466 -0.726 35 HB2 ASP 6 1HB ASP 6 -8.101 1.136 1.583 36 HB3 ASP 6 2HB ASP 6 -6.484 1.338 0.907 37 H PHE 7 H PHE 7 -8.550 -1.485 2.244 38 HA PHE 7 HA PHE 7 -6.288 -2.184 3.704 39 HB2 PHE 7 1HB PHE 7 -9.136 -3.092 3.726 40 HB3 PHE 7 2HB PHE 7 -7.945 -3.945 4.710 41 HD1 PHE 7 HD2 PHE 7 -6.726 -2.729 6.484 42 HD2 PHE 7 HD1 PHE 7 -9.951 -0.959 4.352 43 HE1 PHE 7 HE2 PHE 7 -6.953 -1.029 8.249 44 HE2 PHE 7 HE1 PHE 7 -10.183 0.748 6.109 45 HZ PHE 7 HZ PHE 7 -8.684 0.713 8.062 46 H LYS 8 H LYS 8 -8.031 -3.933 1.205 47 HA LYS 8 HA LYS 8 -6.404 -6.292 1.461 48 HB2 LYS 8 1HB LYS 8 -8.247 -5.416 -0.768 49 HB3 LYS 8 2HB LYS 8 -7.498 -7.001 -0.638 50 HG2 LYS 8 1HG LYS 8 -8.691 -7.350 1.497 51 HG3 LYS 8 2HG LYS 8 -9.502 -5.798 1.260 52 HD2 LYS 8 1HD LYS 8 -10.467 -6.628 -0.830 53 HD3 LYS 8 2HD LYS 8 -9.654 -8.175 -0.592 54 HE2 LYS 8 1HE LYS 8 -10.897 -8.447 1.533 55 HE3 LYS 8 2HE LYS 8 -11.768 -6.955 1.177 56 HZ1 LYS 8 3HZ LYS 8 -11.804 -9.438 -0.454 57 HZ2 LYS 8 1HZ LYS 8 -12.608 -7.998 -0.852 58 HZ3 LYS 8 2HZ LYS 8 -13.063 -8.867 0.529 59 H LEU 9 H LEU 9 -6.407 -3.366 -0.449 60 HA LEU 9 HA LEU 9 -4.498 -4.069 -2.383 61 HB2 LEU 9 1HB LEU 9 -6.015 -2.029 -2.335 62 HB3 LEU 9 2HB LEU 9 -4.897 -1.323 -1.182 63 HG LEU 9 HG LEU 9 -4.032 -2.174 -3.948 64 HD11 LEU 9 1HD1 LEU 9 -5.838 -0.545 -4.161 65 HD12 LEU 9 2HD1 LEU 9 -4.286 0.160 -4.616 66 HD13 LEU 9 3HD1 LEU 9 -5.000 0.536 -3.048 67 HD21 LEU 9 3HD2 LEU 9 -2.233 -1.842 -2.327 68 HD22 LEU 9 1HD2 LEU 9 -2.862 -0.236 -1.950 69 HD23 LEU 9 2HD2 LEU 9 -2.219 -0.577 -3.557 70 H ILE 10 H ILE 10 -4.149 -2.532 0.801 71 HA ILE 10 HA ILE 10 -1.328 -2.314 0.641 72 HB ILE 10 HB ILE 10 -2.682 -0.907 2.148 73 HG12 ILE 10 1HG1 ILE 10 -1.178 -1.062 4.132 74 HG13 ILE 10 2HG1 ILE 10 -0.561 -2.585 3.497 75 HG21 ILE 10 1HG2 ILE 10 -3.473 -1.786 4.286 76 HG22 ILE 10 2HG2 ILE 10 -3.005 -3.412 3.787 77 HG23 ILE 10 3HG2 ILE 10 -4.281 -2.557 2.922 78 HD11 ILE 10 3HD1 ILE 10 -0.356 0.093 2.138 79 HD12 ILE 10 1HD1 ILE 10 0.278 -1.434 1.524 80 HD13 ILE 10 2HD1 ILE 10 0.937 -0.736 3.003 81 H ARG 11 H ARG 11 -3.487 -4.859 1.731 82 HA ARG 11 HA ARG 11 -1.533 -6.482 2.977 83 HB2 ARG 11 1HB ARG 11 -3.868 -6.997 3.312 84 HB3 ARG 11 2HB ARG 11 -4.114 -7.225 1.585 85 HG2 ARG 11 1HG ARG 11 -2.579 -9.154 1.653 86 HG3 ARG 11 2HG ARG 11 -2.440 -8.950 3.399 87 HD2 ARG 11 1HD ARG 11 -5.074 -9.370 2.011 88 HD3 ARG 11 2HD ARG 11 -4.076 -10.705 2.579 89 HE ARG 11 HE ARG 11 -5.442 -8.721 4.260 90 HH11 ARG 11 1HH1 ARG 11 -3.561 -11.668 3.965 91 HH12 ARG 11 2HH1 ARG 11 -3.938 -12.205 5.577 92 HH21 ARG 11 1HH2 ARG 11 -5.958 -9.444 6.352 93 HH22 ARG 11 2HH2 ARG 11 -5.293 -10.947 6.933 94 H ASP 12 H ASP 12 -2.662 -6.181 -0.334 95 HA ASP 12 HA ASP 12 -1.206 -8.272 -1.501 96 HB2 ASP 12 1HB ASP 12 -2.976 -7.141 -2.709 97 HB3 ASP 12 2HB ASP 12 -2.115 -5.607 -2.626 98 H ILE 13 H ILE 13 -0.281 -4.963 -0.720 99 HA ILE 13 HA ILE 13 2.165 -4.863 -2.035 100 HB ILE 13 HB ILE 13 1.725 -3.668 0.696 101 HG12 ILE 13 1HG1 ILE 13 -0.244 -3.172 -0.695 102 HG13 ILE 13 2HG1 ILE 13 0.717 -1.724 -0.414 103 HG21 ILE 13 1HG2 ILE 13 3.330 -2.765 -1.696 104 HG22 ILE 13 2HG2 ILE 13 3.975 -3.485 -0.221 105 HG23 ILE 13 3HG2 ILE 13 3.197 -1.903 -0.160 106 HD11 ILE 13 3HD1 ILE 13 -0.079 -1.826 -2.697 107 HD12 ILE 13 1HD1 ILE 13 0.705 -3.391 -2.915 108 HD13 ILE 13 2HD1 ILE 13 1.682 -1.946 -2.647 109 H HIS 14 H HIS 14 1.260 -6.309 1.033 110 HA HIS 14 HA HIS 14 3.922 -7.076 1.756 111 HB2 HIS 14 1HB HIS 14 1.226 -8.013 2.757 112 HB3 HIS 14 2HB HIS 14 2.768 -8.494 3.457 113 HD1 HIS 14 HD1 HIS 14 4.057 -6.695 4.826 114 HD2 HIS 14 HD2 HIS 14 0.342 -5.492 3.405 115 HE1 HIS 14 HE1 HIS 14 3.524 -4.552 6.042 116 HE2 HIS 14 HE2 HIS 14 1.181 -3.966 5.313 117 H SER 15 H SER 15 1.188 -8.595 0.147 118 HA SER 15 HA SER 15 2.232 -11.230 0.185 119 HB2 SER 15 1HB SER 15 0.395 -11.764 -1.341 120 HB3 SER 15 2HB SER 15 -0.182 -10.709 -0.052 121 HG SER 15 HG SER 15 -0.051 -10.267 -2.752 122 H THR 16 H THR 16 2.625 -8.523 -1.963 123 HA THR 16 HA THR 16 3.719 -10.099 -4.115 124 HB THR 16 HB THR 16 4.288 -7.764 -5.043 125 HG1 THR 16 HG1 THR 16 2.378 -6.860 -3.168 126 HG21 THR 16 3HG2 THR 16 2.395 -9.079 -5.823 127 HG22 THR 16 1HG2 THR 16 1.943 -7.379 -5.689 128 HG23 THR 16 2HG2 THR 16 1.426 -8.529 -4.455 129 H GLY 17 H GLY 17 4.984 -9.435 -1.215 130 HA2 GLY 17 1HA GLY 17 7.268 -10.341 -0.996 131 HA3 GLY 17 2HA GLY 17 7.708 -9.318 -2.358 132 H GLY 18 H GLY 18 5.605 -7.574 -0.485 133 HA2 GLY 18 1HA GLY 18 5.976 -6.327 1.524 134 HA3 GLY 18 2HA GLY 18 7.705 -6.617 1.342 135 H ARG 19 H ARG 19 6.917 -5.962 -1.655 136 HA ARG 19 HA ARG 19 6.596 -3.093 -1.434 137 HB2 ARG 19 1HB ARG 19 8.550 -2.644 -2.914 138 HB3 ARG 19 2HB ARG 19 8.995 -3.254 -1.326 139 HG2 ARG 19 1HG ARG 19 10.418 -4.393 -2.747 140 HG3 ARG 19 2HG ARG 19 9.117 -5.554 -2.491 141 HD2 ARG 19 1HD ARG 19 8.127 -4.977 -4.617 142 HD3 ARG 19 2HD ARG 19 9.315 -3.698 -4.861 143 HE ARG 19 HE ARG 19 10.890 -5.848 -4.624 144 HH11 ARG 19 1HH1 ARG 19 7.959 -5.381 -6.480 145 HH12 ARG 19 2HH1 ARG 19 8.461 -6.411 -7.785 146 HH21 ARG 19 1HH2 ARG 19 11.552 -7.223 -6.333 147 HH22 ARG 19 2HH2 ARG 19 10.502 -7.461 -7.696 148 H ARG 20 H ARG 20 5.771 -2.142 -3.289 149 HA ARG 20 HA ARG 20 5.177 -3.967 -5.520 150 HB2 ARG 20 1HB ARG 20 3.144 -3.771 -4.206 151 HB3 ARG 20 2HB ARG 20 3.275 -2.014 -4.207 152 HG2 ARG 20 1HG ARG 20 1.606 -2.654 -5.790 153 HG3 ARG 20 2HG ARG 20 3.007 -2.049 -6.674 154 HD2 ARG 20 1HD ARG 20 2.678 -3.923 -7.890 155 HD3 ARG 20 2HD ARG 20 3.627 -4.652 -6.594 156 HE ARG 20 HE ARG 20 1.298 -5.102 -5.581 157 HH11 ARG 20 1HH1 ARG 20 2.058 -5.098 -9.000 158 HH12 ARG 20 2HH1 ARG 20 0.837 -6.276 -9.407 159 HH21 ARG 20 1HH2 ARG 20 -0.320 -6.607 -6.089 160 HH22 ARG 20 2HH2 ARG 20 -0.528 -7.135 -7.738 161 H GLN 21 H GLN 21 5.801 -3.186 -7.424 162 HA GLN 21 HA GLN 21 6.340 -0.299 -7.584 163 HB2 GLN 21 1HB GLN 21 7.861 -0.909 -9.497 164 HB3 GLN 21 2HB GLN 21 8.377 -1.467 -7.910 165 HG2 GLN 21 1HG GLN 21 7.431 -3.698 -8.456 166 HG3 GLN 21 2HG GLN 21 7.097 -3.105 -10.086 167 HE21 GLN 21 2HE2 GLN 21 8.804 -2.728 -11.492 168 HE22 GLN 21 1HE2 GLN 21 10.404 -3.333 -11.194 169 H VAL 22 H VAL 22 4.911 0.816 -8.630 170 HA VAL 22 HA VAL 22 3.373 -0.476 -10.792 171 HB VAL 22 HB VAL 22 2.493 1.839 -9.054 172 HG11 VAL 22 1HG1 VAL 22 0.968 0.165 -11.047 173 HG12 VAL 22 2HG1 VAL 22 1.481 1.838 -11.271 174 HG13 VAL 22 3HG1 VAL 22 0.288 1.440 -10.034 175 HG21 VAL 22 3HG2 VAL 22 2.670 -0.213 -7.742 176 HG22 VAL 22 1HG2 VAL 22 1.668 -1.060 -8.922 177 HG23 VAL 22 2HG2 VAL 22 0.983 0.257 -7.968 178 H PHE 23 H PHE 23 3.324 0.499 -12.740 179 HA PHE 23 HA PHE 23 5.294 2.388 -13.385 180 HB2 PHE 23 1HB PHE 23 4.012 2.471 -15.625 181 HB3 PHE 23 2HB PHE 23 4.737 0.949 -15.131 182 HD1 PHE 23 HD2 PHE 23 3.340 -0.909 -14.382 183 HD2 PHE 23 HD1 PHE 23 1.624 2.729 -15.772 184 HE1 PHE 23 HE2 PHE 23 1.168 -2.035 -14.637 185 HE2 PHE 23 HE1 PHE 23 -0.549 1.609 -16.030 186 HZ PHE 23 HZ PHE 23 -0.780 -0.776 -15.463 187 H GLY 24 H GLY 24 1.755 2.776 -13.239 188 HA2 GLY 24 1HA GLY 24 1.518 5.169 -12.055 189 HA3 GLY 24 2HA GLY 24 2.028 5.630 -13.677 190 H SER 25 H SER 25 0.073 6.706 -14.037 191 HA SER 25 HA SER 25 -1.965 6.914 -14.998 192 HB2 SER 25 1HB SER 25 -1.077 5.003 -16.428 193 HB3 SER 25 2HB SER 25 -1.984 3.912 -15.380 194 HG SER 25 HG SER 25 -2.972 4.826 -17.450 195 H ARG 26 H ARG 26 -4.168 5.023 -14.880 196 HA ARG 26 HA ARG 26 -5.281 5.813 -12.404 197 HB2 ARG 26 1HB ARG 26 -6.227 3.589 -14.219 198 HB3 ARG 26 2HB ARG 26 -7.185 4.432 -13.012 199 HG2 ARG 26 1HG ARG 26 -7.012 6.493 -14.291 200 HG3 ARG 26 2HG ARG 26 -6.010 5.674 -15.489 201 HD2 ARG 26 1HD ARG 26 -8.885 5.077 -14.810 202 HD3 ARG 26 2HD ARG 26 -8.271 5.788 -16.303 203 HE ARG 26 HE ARG 26 -7.013 3.531 -16.457 204 HH11 ARG 26 1HH1 ARG 26 -10.278 4.037 -15.285 205 HH12 ARG 26 2HH1 ARG 26 -10.785 2.405 -15.614 206 HH21 ARG 26 1HH2 ARG 26 -7.676 1.397 -16.912 207 HH22 ARG 26 2HH2 ARG 26 -9.303 0.903 -16.554 208 H GLU 27 H GLU 27 -3.409 3.094 -13.369 209 HA GLU 27 HA GLU 27 -4.139 1.253 -11.373 210 HB2 GLU 27 1HB GLU 27 -2.768 0.826 -13.466 211 HB3 GLU 27 2HB GLU 27 -1.400 1.539 -12.614 212 HG2 GLU 27 1HG GLU 27 -1.179 -0.790 -12.392 213 HG3 GLU 27 2HG GLU 27 -1.753 -0.198 -10.830 214 H GLN 28 H GLN 28 -1.761 3.851 -11.452 215 HA GLN 28 HA GLN 28 -0.657 3.166 -8.874 216 HB2 GLN 28 1HB GLN 28 0.705 4.124 -10.719 217 HB3 GLN 28 2HB GLN 28 -0.198 5.628 -10.563 218 HG2 GLN 28 1HG GLN 28 0.637 5.923 -8.307 219 HG3 GLN 28 2HG GLN 28 1.499 4.387 -8.409 220 HE21 GLN 28 2HE2 GLN 28 3.340 4.238 -9.697 221 HE22 GLN 28 1HE2 GLN 28 4.185 5.645 -10.251 222 H LYS 29 H LYS 29 -3.225 5.074 -10.035 223 HA LYS 29 HA LYS 29 -3.297 7.280 -8.412 224 HB2 LYS 29 1HB LYS 29 -4.804 6.861 -10.309 225 HB3 LYS 29 2HB LYS 29 -5.678 5.681 -9.343 226 HG2 LYS 29 1HG LYS 29 -6.431 7.384 -7.834 227 HG3 LYS 29 2HG LYS 29 -5.411 8.590 -8.622 228 HD2 LYS 29 1HD LYS 29 -6.691 8.303 -10.696 229 HD3 LYS 29 2HD LYS 29 -7.718 7.117 -9.889 230 HE2 LYS 29 1HE LYS 29 -8.524 8.795 -8.357 231 HE3 LYS 29 2HE LYS 29 -7.402 9.985 -9.018 232 HZ1 LYS 29 3HZ LYS 29 -9.612 8.689 -10.518 233 HZ2 LYS 29 1HZ LYS 29 -8.552 9.864 -11.128 234 HZ3 LYS 29 2HZ LYS 29 -9.645 10.267 -9.894 235 HA PRO 30 HA PRO 30 -5.735 4.919 -4.954 236 HB2 PRO 30 1HB PRO 30 -5.390 2.216 -4.851 237 HB3 PRO 30 2HB PRO 30 -6.764 3.000 -5.644 238 HG2 PRO 30 1HG PRO 30 -4.243 1.924 -6.847 239 HG3 PRO 30 2HG PRO 30 -5.913 1.770 -7.424 240 HD2 PRO 30 1HD PRO 30 -4.202 3.550 -8.490 241 HD3 PRO 30 2HD PRO 30 -5.935 3.902 -8.317 242 H PHE 31 H PHE 31 -2.630 3.813 -6.141 243 HA PHE 31 HA PHE 31 -1.615 2.934 -3.635 244 HB2 PHE 31 1HB PHE 31 -0.327 3.598 -6.271 245 HB3 PHE 31 2HB PHE 31 0.627 3.146 -4.861 246 HD1 PHE 31 HD2 PHE 31 -2.107 1.966 -7.073 247 HD2 PHE 31 HD1 PHE 31 0.956 0.912 -4.318 248 HE1 PHE 31 HE2 PHE 31 -2.460 -0.411 -7.595 249 HE2 PHE 31 HE1 PHE 31 0.607 -1.466 -4.834 250 HZ PHE 31 HZ PHE 31 -1.103 -2.131 -6.475 251 H GLU 32 H GLU 32 -1.310 5.944 -5.475 252 HA GLU 32 HA GLU 32 0.432 7.178 -3.606 253 HB2 GLU 32 1HB GLU 32 -0.337 9.320 -4.746 254 HB3 GLU 32 2HB GLU 32 0.463 8.119 -5.748 255 HG2 GLU 32 1HG GLU 32 -1.617 7.418 -6.678 256 HG3 GLU 32 2HG GLU 32 -2.513 8.440 -5.553 257 H ASP 33 H ASP 33 -3.000 6.770 -3.747 258 HA ASP 33 HA ASP 33 -3.726 8.762 -1.871 259 HB2 ASP 33 1HB ASP 33 -5.308 7.499 -3.392 260 HB3 ASP 33 2HB ASP 33 -5.133 6.119 -2.308 261 H LEU 34 H LEU 34 -2.636 5.432 -1.580 262 HA LEU 34 HA LEU 34 -2.957 5.293 1.253 263 HB2 LEU 34 1HB LEU 34 -1.649 3.597 -0.812 264 HB3 LEU 34 2HB LEU 34 -1.155 3.385 0.861 265 HG LEU 34 HG LEU 34 -3.506 2.909 1.475 266 HD11 LEU 34 1HD1 LEU 34 -5.138 2.449 -0.288 267 HD12 LEU 34 2HD1 LEU 34 -3.994 3.036 -1.495 268 HD13 LEU 34 3HD1 LEU 34 -4.639 4.141 -0.281 269 HD21 LEU 34 3HD2 LEU 34 -2.377 1.184 -0.724 270 HD22 LEU 34 1HD2 LEU 34 -3.607 0.692 0.441 271 HD23 LEU 34 2HD2 LEU 34 -1.978 1.085 0.991 272 H VAL 35 H VAL 35 -0.457 6.501 -0.854 273 HA VAL 35 HA VAL 35 1.650 6.607 1.021 274 HB VAL 35 HB VAL 35 1.075 8.534 -1.243 275 HG11 VAL 35 1HG1 VAL 35 2.668 9.448 0.363 276 HG12 VAL 35 2HG1 VAL 35 3.468 9.038 -1.154 277 HG13 VAL 35 3HG1 VAL 35 3.640 7.982 0.247 278 HG21 VAL 35 3HG2 VAL 35 2.776 6.045 -1.174 279 HG22 VAL 35 1HG2 VAL 35 2.655 7.170 -2.527 280 HG23 VAL 35 2HG2 VAL 35 1.243 6.238 -2.027 281 H ASP 36 H ASP 36 -0.955 8.849 0.232 282 HA ASP 36 HA ASP 36 -0.357 10.870 2.084 283 HB2 ASP 36 1HB ASP 36 -1.985 11.330 0.405 284 HB3 ASP 36 2HB ASP 36 -2.957 9.933 0.867 285 H LEU 37 H LEU 37 -2.120 7.856 2.383 286 HA LEU 37 HA LEU 37 -3.070 8.272 5.027 287 HB2 LEU 37 1HB LEU 37 -2.615 5.702 3.511 288 HB3 LEU 37 2HB LEU 37 -3.573 5.874 4.970 289 HG LEU 37 HG LEU 37 -4.208 7.182 2.327 290 HD11 LEU 37 1HD1 LEU 37 -6.059 5.555 2.248 291 HD12 LEU 37 2HD1 LEU 37 -5.386 4.756 3.669 292 HD13 LEU 37 3HD1 LEU 37 -4.472 4.791 2.161 293 HD21 LEU 37 3HD2 LEU 37 -6.355 7.695 3.378 294 HD22 LEU 37 1HD2 LEU 37 -5.018 8.452 4.243 295 HD23 LEU 37 2HD2 LEU 37 -5.781 7.001 4.894 296 H GLY 38 H GLY 38 -0.030 7.371 3.729 297 HA2 GLY 38 1HA GLY 38 1.974 7.079 4.883 298 HA3 GLY 38 2HA GLY 38 1.064 6.997 6.390 299 H TRP 39 H TRP 39 0.001 5.042 3.773 300 HA TRP 39 HA TRP 39 0.775 2.637 5.245 301 HB2 TRP 39 1HB TRP 39 -1.053 3.074 2.870 302 HB3 TRP 39 2HB TRP 39 -0.693 1.488 3.547 303 HD1 TRP 39 HD1 TRP 39 -1.126 4.135 6.179 304 HE1 TRP 39 HE1 TRP 39 -3.428 3.854 7.323 305 HE3 TRP 39 HE3 TRP 39 -3.238 0.762 2.966 306 HZ2 TRP 39 HZ2 TRP 39 -5.783 2.417 6.916 307 HZ3 TRP 39 HZ3 TRP 39 -5.529 -0.015 3.416 308 HH2 TRP 39 HH2 TRP 39 -6.775 0.796 5.354 309 H LEU 40 H LEU 40 1.283 4.269 2.200 310 HA LEU 40 HA LEU 40 3.324 2.276 1.487 311 HB2 LEU 40 1HB LEU 40 1.566 4.003 -0.246 312 HB3 LEU 40 2HB LEU 40 3.002 3.206 -0.863 313 HG LEU 40 HG LEU 40 0.648 1.777 0.374 314 HD11 LEU 40 1HD1 LEU 40 1.443 2.066 -2.522 315 HD12 LEU 40 2HD1 LEU 40 0.049 2.824 -1.751 316 HD13 LEU 40 3HD1 LEU 40 0.126 1.069 -1.900 317 HD21 LEU 40 3HD2 LEU 40 3.088 0.762 -1.076 318 HD22 LEU 40 1HD2 LEU 40 1.725 -0.225 -0.544 319 HD23 LEU 40 2HD2 LEU 40 2.746 0.584 0.646 320 H LYS 41 H LYS 41 5.303 3.011 0.710 321 HA LYS 41 HA LYS 41 5.843 5.872 1.143 322 HB2 LYS 41 1HB LYS 41 6.667 4.583 3.051 323 HB3 LYS 41 2HB LYS 41 7.564 3.525 1.967 324 HG2 LYS 41 1HG LYS 41 8.917 5.464 1.255 325 HG3 LYS 41 2HG LYS 41 8.062 6.458 2.442 326 HD2 LYS 41 1HD LYS 41 8.860 4.996 4.233 327 HD3 LYS 41 2HD LYS 41 9.714 4.007 3.046 328 HE2 LYS 41 1HE LYS 41 11.038 5.994 2.405 329 HE3 LYS 41 2HE LYS 41 10.231 6.908 3.678 330 HZ1 LYS 41 3HZ LYS 41 12.377 6.097 4.413 331 HZ2 LYS 41 1HZ LYS 41 11.919 4.497 4.077 332 HZ3 LYS 41 2HZ LYS 41 11.134 5.363 5.306 333 H ARG 42 H ARG 42 6.912 6.867 -0.437 334 HA ARG 42 HA ARG 42 7.731 5.413 -2.795 335 HB2 ARG 42 1HB ARG 42 8.163 8.331 -2.104 336 HB3 ARG 42 2HB ARG 42 8.312 7.600 -3.700 337 HG2 ARG 42 1HG ARG 42 5.922 7.134 -3.721 338 HG3 ARG 42 2HG ARG 42 5.764 7.835 -2.105 339 HD2 ARG 42 1HD ARG 42 6.535 9.988 -2.955 340 HD3 ARG 42 2HD ARG 42 6.727 9.296 -4.565 341 HE ARG 42 HE ARG 42 4.158 8.814 -4.163 342 HH11 ARG 42 1HH1 ARG 42 6.008 11.717 -3.481 343 HH12 ARG 42 2HH1 ARG 42 4.641 12.778 -3.668 344 HH21 ARG 42 1HH2 ARG 42 2.381 10.206 -4.434 345 HH22 ARG 42 2HH2 ARG 42 2.579 11.923 -4.236 346 H SER 43 H SER 43 9.929 5.352 -3.604 347 HA SER 43 HA SER 43 12.044 6.242 -1.865 348 HB2 SER 43 1HB SER 43 11.161 3.991 -0.940 349 HB3 SER 43 2HB SER 43 11.965 3.272 -2.335 350 HG SER 43 HG SER 43 13.255 5.019 -0.502 351 H SER 44 H SER 44 11.431 3.877 -4.493 352 HA SER 44 HA SER 44 13.571 5.187 -6.010 353 HB2 SER 44 1HB SER 44 14.400 2.901 -6.678 354 HB3 SER 44 2HB SER 44 14.670 3.310 -4.984 355 HG SER 44 HG SER 44 13.637 1.531 -4.570 356 H VAL 45 H VAL 45 13.428 4.999 -8.260 357 HA VAL 45 HA VAL 45 11.063 3.612 -9.322 358 HB VAL 45 HB VAL 45 10.733 5.445 -10.968 359 HG11 VAL 45 1HG1 VAL 45 10.510 6.287 -8.083 360 HG12 VAL 45 2HG1 VAL 45 9.328 5.347 -8.993 361 HG13 VAL 45 3HG1 VAL 45 9.651 7.023 -9.436 362 HG21 VAL 45 3HG2 VAL 45 12.702 6.952 -9.248 363 HG22 VAL 45 1HG2 VAL 45 11.729 7.647 -10.545 364 HG23 VAL 45 2HG2 VAL 45 12.955 6.434 -10.916 365 H ASP 46 H ASP 46 11.462 2.412 -11.112 366 HA ASP 46 HA ASP 46 13.904 3.013 -12.620 367 HB2 ASP 46 1HB ASP 46 14.486 0.704 -12.871 368 HB3 ASP 46 2HB ASP 46 14.272 1.015 -11.152 369 H SER 47 H SER 47 13.287 3.698 -14.494 370 HA SER 47 HA SER 47 12.145 4.003 -16.426 371 HB2 SER 47 1HB SER 47 13.180 1.750 -16.804 372 HB3 SER 47 2HB SER 47 11.671 1.017 -16.265 373 HG SER 47 HG SER 47 11.605 1.137 -18.479 374 H ARG 48 H ARG 48 10.590 5.088 -14.869 375 HA ARG 48 HA ARG 48 8.442 5.812 -14.670 376 HB2 ARG 48 1HB ARG 48 8.008 5.026 -16.924 377 HB3 ARG 48 2HB ARG 48 7.765 3.388 -16.341 378 HG2 ARG 48 1HG ARG 48 5.643 4.363 -16.832 379 HG3 ARG 48 2HG ARG 48 5.785 4.181 -15.084 380 HD2 ARG 48 1HD ARG 48 6.190 6.505 -14.791 381 HD3 ARG 48 2HD ARG 48 6.400 6.750 -16.527 382 HE ARG 48 HE ARG 48 3.838 5.702 -16.095 383 HH11 ARG 48 1HH1 ARG 48 5.614 8.625 -15.319 384 HH12 ARG 48 2HH1 ARG 48 4.218 9.655 -15.445 385 HH21 ARG 48 1HH2 ARG 48 2.009 7.051 -16.242 386 HH22 ARG 48 2HH2 ARG 48 2.164 8.761 -15.968 387 H ALA 49 H ALA 49 9.021 2.395 -14.031 388 HA ALA 49 HA ALA 49 6.785 1.964 -12.361 389 HB1 ALA 49 3HB ALA 49 7.946 -0.055 -11.629 390 HB2 ALA 49 1HB ALA 49 9.433 0.521 -12.382 391 HB3 ALA 49 2HB ALA 49 8.033 0.132 -13.381 392 H THR 50 H THR 50 6.362 2.895 -10.511 393 HA THR 50 HA THR 50 8.515 3.985 -8.867 394 HB THR 50 HB THR 50 5.531 4.239 -8.449 395 HG1 THR 50 HG1 THR 50 7.012 5.206 -10.442 396 HG21 THR 50 3HG2 THR 50 6.145 6.245 -7.189 397 HG22 THR 50 1HG2 THR 50 7.850 5.940 -7.518 398 HG23 THR 50 2HG2 THR 50 6.931 4.817 -6.515 399 H HIS 51 H HIS 51 9.162 3.078 -7.002 400 HA HIS 51 HA HIS 51 7.937 0.540 -6.236 401 HB2 HIS 51 1HB HIS 51 10.512 1.877 -5.386 402 HB3 HIS 51 2HB HIS 51 9.946 0.340 -4.742 403 HD1 HIS 51 HD1 HIS 51 11.774 -1.111 -5.651 404 HD2 HIS 51 HD2 HIS 51 9.941 1.186 -8.591 405 HE1 HIS 51 HE1 HIS 51 12.646 -1.990 -7.844 406 HE2 HIS 51 HE2 HIS 51 11.661 -0.463 -9.598 407 H TYR 52 H TYR 52 6.413 0.525 -4.742 408 HA TYR 52 HA TYR 52 6.531 2.496 -2.567 409 HB2 TYR 52 1HB TYR 52 4.271 0.720 -3.512 410 HB3 TYR 52 2HB TYR 52 4.179 1.795 -2.115 411 HD1 TYR 52 HD2 TYR 52 4.261 4.233 -2.432 412 HD2 TYR 52 HD1 TYR 52 4.084 1.564 -5.734 413 HE1 TYR 52 HE2 TYR 52 3.595 6.097 -3.891 414 HE2 TYR 52 HE1 TYR 52 3.420 3.418 -7.209 415 HH TYR 52 HH TYR 52 3.839 6.557 -6.500 416 H GLN 53 H GLN 53 7.323 1.859 -0.698 417 HA GLN 53 HA GLN 53 7.479 -1.018 -0.136 418 HB2 GLN 53 1HB GLN 53 9.581 0.345 -0.115 419 HB3 GLN 53 2HB GLN 53 8.926 1.255 1.243 420 HG2 GLN 53 1HG GLN 53 8.923 -0.710 2.627 421 HG3 GLN 53 2HG GLN 53 9.411 -1.718 1.260 422 HE21 GLN 53 2HE2 GLN 53 11.524 -1.589 0.494 423 HE22 GLN 53 1HE2 GLN 53 12.801 -0.889 1.429 424 H ILE 54 H ILE 54 6.805 -1.856 1.848 425 HA ILE 54 HA ILE 54 4.462 -0.693 2.936 426 HB ILE 54 HB ILE 54 4.586 -2.546 4.599 427 HG12 ILE 54 1HG1 ILE 54 7.086 -3.298 3.063 428 HG13 ILE 54 2HG1 ILE 54 7.055 -2.692 4.714 429 HG21 ILE 54 1HG2 ILE 54 3.421 -2.842 2.496 430 HG22 ILE 54 2HG2 ILE 54 4.234 -4.339 2.954 431 HG23 ILE 54 3HG2 ILE 54 4.925 -3.308 1.701 432 HD11 ILE 54 3HD1 ILE 54 5.826 -5.268 3.767 433 HD12 ILE 54 1HD1 ILE 54 5.831 -4.667 5.425 434 HD13 ILE 54 2HD1 ILE 54 7.350 -5.103 4.639 435 H THR 55 H THR 55 4.124 0.500 4.724 436 HA THR 55 HA THR 55 6.429 1.233 6.376 437 HB THR 55 HB THR 55 4.953 2.955 7.327 438 HG1 THR 55 HG1 THR 55 2.841 3.191 6.246 439 HG21 THR 55 3HG2 THR 55 4.667 4.341 5.336 440 HG22 THR 55 1HG2 THR 55 4.846 2.922 4.305 441 HG23 THR 55 2HG2 THR 55 6.207 3.484 5.276 442 H GLU 56 H GLU 56 5.699 1.554 8.820 443 HA GLU 56 HA GLU 56 4.903 -1.010 9.781 444 HB2 GLU 56 1HB GLU 56 4.862 0.164 12.047 445 HB3 GLU 56 2HB GLU 56 6.399 0.098 11.206 446 HG2 GLU 56 1HG GLU 56 4.602 2.495 11.049 447 HG3 GLU 56 2HG GLU 56 5.769 2.276 12.352 448 H ARG 57 H ARG 57 3.256 2.008 9.176 449 HA ARG 57 HA ARG 57 0.819 1.258 10.463 450 HB2 ARG 57 1HB ARG 57 1.378 3.614 9.967 451 HB3 ARG 57 2HB ARG 57 1.275 3.264 8.244 452 HG2 ARG 57 1HG ARG 57 -1.082 2.767 8.453 453 HG3 ARG 57 2HG ARG 57 -1.001 3.001 10.201 454 HD2 ARG 57 1HD ARG 57 -0.404 5.110 8.130 455 HD3 ARG 57 2HD ARG 57 -1.923 4.958 9.019 456 HE ARG 57 HE ARG 57 -0.106 5.131 10.998 457 HH11 ARG 57 1HH1 ARG 57 -0.674 7.066 8.137 458 HH12 ARG 57 2HH1 ARG 57 -0.075 8.533 8.853 459 HH21 ARG 57 1HH2 ARG 57 0.646 7.069 11.963 460 HH22 ARG 57 2HH2 ARG 57 0.648 8.546 11.033 461 H GLY 58 H GLY 58 2.014 1.160 7.128 462 HA2 GLY 58 1HA GLY 58 -0.258 -0.020 5.955 463 HA3 GLY 58 2HA GLY 58 1.389 -0.141 5.339 464 H THR 59 H THR 59 2.368 -1.393 7.801 465 HA THR 59 HA THR 59 1.786 -4.113 7.222 466 HB THR 59 HB THR 59 3.145 -2.944 9.662 467 HG1 THR 59 HG1 THR 59 4.249 -2.416 7.724 468 HG21 THR 59 3HG2 THR 59 3.159 -5.748 8.534 469 HG22 THR 59 1HG2 THR 59 2.420 -5.233 10.051 470 HG23 THR 59 2HG2 THR 59 4.173 -5.181 9.861 471 H SER 60 H SER 60 0.818 -1.907 9.810 472 HA SER 60 HA SER 60 -0.678 -3.802 11.284 473 HB2 SER 60 1HB SER 60 0.195 -1.641 12.194 474 HB3 SER 60 2HB SER 60 -1.019 -0.790 11.235 475 HG SER 60 HG SER 60 -1.332 -2.419 13.496 476 H ALA 61 H ALA 61 -1.572 -1.389 8.846 477 HA ALA 61 HA ALA 61 -4.348 -1.665 9.005 478 HB1 ALA 61 3HB ALA 61 -2.696 -0.942 6.588 479 HB2 ALA 61 1HB ALA 61 -3.202 0.175 7.857 480 HB3 ALA 61 2HB ALA 61 -4.410 -0.596 6.828 481 H ALA 62 H ALA 62 -1.994 -3.347 6.981 482 HA ALA 62 HA ALA 62 -3.869 -4.779 5.431 483 HB1 ALA 62 3HB ALA 62 -1.991 -6.120 4.710 484 HB2 ALA 62 1HB ALA 62 -1.010 -5.506 6.040 485 HB3 ALA 62 2HB ALA 62 -1.536 -4.417 4.757 486 H LEU 63 H LEU 63 -2.541 -5.316 8.591 487 HA LEU 63 HA LEU 63 -3.273 -8.115 8.644 488 HB2 LEU 63 1HB LEU 63 -1.267 -7.193 9.827 489 HB3 LEU 63 2HB LEU 63 -2.362 -6.354 10.919 490 HG LEU 63 HG LEU 63 -3.289 -8.566 11.603 491 HD11 LEU 63 1HD1 LEU 63 -0.988 -9.644 9.981 492 HD12 LEU 63 2HD1 LEU 63 -2.700 -9.825 9.601 493 HD13 LEU 63 3HD1 LEU 63 -2.033 -10.582 11.047 494 HD21 LEU 63 3HD2 LEU 63 -1.389 -9.187 12.996 495 HD22 LEU 63 1HD2 LEU 63 -1.582 -7.436 12.933 496 HD23 LEU 63 2HD2 LEU 63 -0.319 -8.219 11.983 497 H ARG 64 H ARG 64 -4.674 -5.078 9.419 498 HA ARG 64 HA ARG 64 -6.488 -5.829 11.425 499 HB2 ARG 64 1HB ARG 64 -6.624 -3.650 9.344 500 HB3 ARG 64 2HB ARG 64 -7.823 -3.842 10.615 501 HG2 ARG 64 1HG ARG 64 -4.895 -3.241 10.962 502 HG3 ARG 64 2HG ARG 64 -6.253 -2.152 11.256 503 HD2 ARG 64 1HD ARG 64 -5.556 -4.658 12.775 504 HD3 ARG 64 2HD ARG 64 -5.476 -3.001 13.365 505 HE ARG 64 HE ARG 64 -8.104 -3.416 12.601 506 HH11 ARG 64 1HH1 ARG 64 -5.851 -4.809 14.917 507 HH12 ARG 64 2HH1 ARG 64 -7.107 -5.274 16.026 508 HH21 ARG 64 1HH2 ARG 64 -9.742 -4.022 14.089 509 HH22 ARG 64 2HH2 ARG 64 -9.296 -4.838 15.562 510 H SER 65 H SER 65 -6.739 -5.926 7.904 511 HA SER 65 HA SER 65 -9.387 -7.161 8.176 512 HB2 SER 65 1HB SER 65 -8.048 -6.018 5.712 513 HB3 SER 65 2HB SER 65 -9.698 -6.637 5.802 514 HG SER 65 HG SER 65 -8.648 -4.419 7.237 Start of MODEL 17 1 H1 MET 1 1H MET 1 -9.932 8.864 3.580 2 H2 MET 1 2H MET 1 -9.871 9.183 5.241 3 H3 MET 1 3H MET 1 -11.028 8.105 4.626 4 HA MET 1 HA MET 1 -8.098 7.709 4.568 5 HB2 MET 1 1HB MET 1 -10.261 6.551 6.324 6 HB3 MET 1 2HB MET 1 -8.688 5.788 6.133 7 HG2 MET 1 1HG MET 1 -7.620 7.838 6.976 8 HG3 MET 1 2HG MET 1 -9.221 8.537 7.236 9 HE1 MET 1 3HE MET 1 -7.899 7.746 10.868 10 HE2 MET 1 1HE MET 1 -8.453 9.007 9.767 11 HE3 MET 1 2HE MET 1 -6.903 8.214 9.489 12 H ALA 2 H ALA 2 -8.129 4.988 4.608 13 HA ALA 2 HA ALA 2 -8.753 4.487 1.847 14 HB1 ALA 2 3HB ALA 2 -7.592 2.388 2.181 15 HB2 ALA 2 1HB ALA 2 -7.599 2.634 3.925 16 HB3 ALA 2 2HB ALA 2 -6.665 3.710 2.887 17 H THR 3 H THR 3 -10.005 2.716 1.067 18 HA THR 3 HA THR 3 -12.289 2.108 2.812 19 HB THR 3 HB THR 3 -12.761 3.123 0.596 20 HG1 THR 3 HG1 THR 3 -13.956 0.804 0.025 21 HG21 THR 3 3HG2 THR 3 -12.492 1.763 -1.434 22 HG22 THR 3 1HG2 THR 3 -11.632 0.544 -0.496 23 HG23 THR 3 2HG2 THR 3 -10.940 2.155 -0.693 24 H ALA 4 H ALA 4 -13.264 -0.184 2.210 25 HA ALA 4 HA ALA 4 -11.586 -2.099 3.327 26 HB1 ALA 4 3HB ALA 4 -13.293 -3.723 2.706 27 HB2 ALA 4 1HB ALA 4 -14.014 -2.552 1.603 28 HB3 ALA 4 2HB ALA 4 -14.021 -2.247 3.340 29 H ASP 5 H ASP 5 -12.096 -1.296 -0.058 30 HA ASP 5 HA ASP 5 -10.717 -3.602 -1.038 31 HB2 ASP 5 1HB ASP 5 -11.577 -1.031 -2.340 32 HB3 ASP 5 2HB ASP 5 -10.619 -2.237 -3.202 33 H ASP 6 H ASP 6 -9.748 -0.461 0.055 34 HA ASP 6 HA ASP 6 -7.130 -0.531 -1.093 35 HB2 ASP 6 1HB ASP 6 -8.254 1.046 1.226 36 HB3 ASP 6 2HB ASP 6 -6.617 1.254 0.603 37 H PHE 7 H PHE 7 -8.593 -1.576 1.921 38 HA PHE 7 HA PHE 7 -6.308 -2.389 3.277 39 HB2 PHE 7 1HB PHE 7 -9.154 -3.360 3.296 40 HB3 PHE 7 2HB PHE 7 -7.920 -4.148 4.280 41 HD1 PHE 7 HD2 PHE 7 -6.808 -2.904 6.093 42 HD2 PHE 7 HD1 PHE 7 -10.049 -1.244 3.893 43 HE1 PHE 7 HE2 PHE 7 -7.132 -1.216 7.853 44 HE2 PHE 7 HE1 PHE 7 -10.378 0.448 5.647 45 HZ PHE 7 HZ PHE 7 -8.919 0.465 7.631 46 H LYS 8 H LYS 8 -8.202 -4.002 0.785 47 HA LYS 8 HA LYS 8 -6.744 -6.428 0.738 48 HB2 LYS 8 1HB LYS 8 -8.113 -5.049 -1.583 49 HB3 LYS 8 2HB LYS 8 -7.636 -6.736 -1.520 50 HG2 LYS 8 1HG LYS 8 -9.244 -7.050 0.357 51 HG3 LYS 8 2HG LYS 8 -9.793 -5.390 0.088 52 HD2 LYS 8 1HD LYS 8 -10.323 -5.986 -2.254 53 HD3 LYS 8 2HD LYS 8 -9.867 -7.654 -1.908 54 HE2 LYS 8 1HE LYS 8 -12.236 -7.527 -1.776 55 HE3 LYS 8 2HE LYS 8 -11.629 -7.667 -0.127 56 HZ1 LYS 8 3HZ LYS 8 -12.344 -5.081 -1.399 57 HZ2 LYS 8 1HZ LYS 8 -12.000 -5.368 0.240 58 HZ3 LYS 8 2HZ LYS 8 -13.417 -5.990 -0.449 59 H LEU 9 H LEU 9 -6.396 -3.358 -0.939 60 HA LEU 9 HA LEU 9 -4.346 -4.101 -2.708 61 HB2 LEU 9 1HB LEU 9 -5.876 -2.079 -2.808 62 HB3 LEU 9 2HB LEU 9 -4.842 -1.338 -1.599 63 HG LEU 9 HG LEU 9 -3.726 -2.276 -4.234 64 HD11 LEU 9 1HD1 LEU 9 -5.600 -0.776 -4.713 65 HD12 LEU 9 2HD1 LEU 9 -4.053 -0.021 -5.094 66 HD13 LEU 9 3HD1 LEU 9 -4.914 0.428 -3.622 67 HD21 LEU 9 3HD2 LEU 9 -2.118 -1.737 -2.476 68 HD22 LEU 9 1HD2 LEU 9 -2.870 -0.156 -2.261 69 HD23 LEU 9 2HD2 LEU 9 -2.052 -0.544 -3.774 70 H ILE 10 H ILE 10 -4.233 -2.587 0.510 71 HA ILE 10 HA ILE 10 -1.417 -2.246 0.482 72 HB ILE 10 HB ILE 10 -2.911 -0.930 1.955 73 HG12 ILE 10 1HG1 ILE 10 -1.435 -1.014 3.961 74 HG13 ILE 10 2HG1 ILE 10 -0.726 -2.499 3.333 75 HG21 ILE 10 1HG2 ILE 10 -4.431 -2.672 2.677 76 HG22 ILE 10 2HG2 ILE 10 -3.684 -1.893 4.073 77 HG23 ILE 10 3HG2 ILE 10 -3.125 -3.480 3.543 78 HD11 ILE 10 3HD1 ILE 10 0.064 -1.288 1.367 79 HD12 ILE 10 1HD1 ILE 10 0.690 -0.595 2.864 80 HD13 ILE 10 2HD1 ILE 10 -0.633 0.200 2.011 81 H ARG 11 H ARG 11 -3.504 -4.881 1.510 82 HA ARG 11 HA ARG 11 -1.434 -6.410 2.739 83 HB2 ARG 11 1HB ARG 11 -3.756 -6.906 3.244 84 HB3 ARG 11 2HB ARG 11 -4.086 -7.256 1.551 85 HG2 ARG 11 1HG ARG 11 -2.635 -9.193 1.635 86 HG3 ARG 11 2HG ARG 11 -2.200 -8.820 3.304 87 HD2 ARG 11 1HD ARG 11 -4.995 -9.431 2.357 88 HD3 ARG 11 2HD ARG 11 -3.905 -10.610 3.085 89 HE ARG 11 HE ARG 11 -4.248 -8.298 4.729 90 HH11 ARG 11 1HH1 ARG 11 -5.643 -11.379 3.837 91 HH12 ARG 11 2HH1 ARG 11 -6.597 -11.513 5.286 92 HH21 ARG 11 1HH2 ARG 11 -5.457 -8.479 6.641 93 HH22 ARG 11 2HH2 ARG 11 -6.483 -9.860 6.887 94 H ASP 12 H ASP 12 -2.718 -6.097 -0.489 95 HA ASP 12 HA ASP 12 -1.479 -8.239 -1.765 96 HB2 ASP 12 1HB ASP 12 -3.222 -6.734 -2.737 97 HB3 ASP 12 2HB ASP 12 -1.990 -5.487 -2.916 98 H ILE 13 H ILE 13 -0.273 -5.040 -0.948 99 HA ILE 13 HA ILE 13 2.158 -5.063 -2.292 100 HB ILE 13 HB ILE 13 1.857 -3.921 0.476 101 HG12 ILE 13 1HG1 ILE 13 -0.127 -3.255 -0.809 102 HG13 ILE 13 2HG1 ILE 13 0.934 -1.882 -0.525 103 HG21 ILE 13 1HG2 ILE 13 3.439 -3.060 -1.942 104 HG22 ILE 13 2HG2 ILE 13 4.079 -3.812 -0.480 105 HG23 ILE 13 3HG2 ILE 13 3.378 -2.196 -0.407 106 HD11 ILE 13 3HD1 ILE 13 0.055 -1.824 -2.762 107 HD12 ILE 13 1HD1 ILE 13 0.684 -3.441 -3.081 108 HD13 ILE 13 2HD1 ILE 13 1.795 -2.100 -2.806 109 H HIS 14 H HIS 14 1.281 -6.328 0.883 110 HA HIS 14 HA HIS 14 3.890 -7.215 1.583 111 HB2 HIS 14 1HB HIS 14 1.163 -8.008 2.625 112 HB3 HIS 14 2HB HIS 14 2.679 -8.561 3.325 113 HD1 HIS 14 HD1 HIS 14 4.045 -6.826 4.703 114 HD2 HIS 14 HD2 HIS 14 0.424 -5.419 3.220 115 HE1 HIS 14 HE1 HIS 14 3.613 -4.648 5.905 116 HE2 HIS 14 HE2 HIS 14 1.324 -3.927 5.132 117 H SER 15 H SER 15 1.065 -8.725 0.115 118 HA SER 15 HA SER 15 2.032 -11.363 0.023 119 HB2 SER 15 1HB SER 15 0.089 -9.998 -1.861 120 HB3 SER 15 2HB SER 15 0.276 -11.739 -1.648 121 HG SER 15 HG SER 15 -0.135 -10.484 0.731 122 H THR 16 H THR 16 2.644 -8.586 -1.986 123 HA THR 16 HA THR 16 3.816 -10.035 -4.160 124 HB THR 16 HB THR 16 4.095 -7.109 -3.419 125 HG1 THR 16 HG1 THR 16 1.921 -7.691 -3.822 126 HG21 THR 16 3HG2 THR 16 5.830 -7.851 -4.988 127 HG22 THR 16 1HG2 THR 16 4.673 -6.780 -5.778 128 HG23 THR 16 2HG2 THR 16 4.587 -8.521 -6.046 129 H GLY 17 H GLY 17 4.885 -9.099 -1.045 130 HA2 GLY 17 1HA GLY 17 7.042 -10.353 -0.528 131 HA3 GLY 17 2HA GLY 17 7.710 -9.401 -1.851 132 H GLY 18 H GLY 18 5.691 -7.271 -0.673 133 HA2 GLY 18 1HA GLY 18 5.861 -6.047 1.482 134 HA3 GLY 18 2HA GLY 18 7.601 -6.308 1.370 135 H ARG 19 H ARG 19 7.617 -5.846 -1.514 136 HA ARG 19 HA ARG 19 7.020 -2.976 -1.570 137 HB2 ARG 19 1HB ARG 19 9.071 -2.718 -3.008 138 HB3 ARG 19 2HB ARG 19 9.378 -3.100 -1.317 139 HG2 ARG 19 1HG ARG 19 9.653 -5.494 -2.003 140 HG3 ARG 19 2HG ARG 19 9.566 -4.952 -3.682 141 HD2 ARG 19 1HD ARG 19 11.885 -5.189 -2.923 142 HD3 ARG 19 2HD ARG 19 11.500 -3.518 -3.340 143 HE ARG 19 HE ARG 19 11.545 -4.500 -0.549 144 HH11 ARG 19 1HH1 ARG 19 12.387 -2.123 -2.982 145 HH12 ARG 19 2HH1 ARG 19 13.087 -1.021 -1.842 146 HH21 ARG 19 1HH2 ARG 19 12.477 -3.064 0.946 147 HH22 ARG 19 2HH2 ARG 19 13.126 -1.545 0.406 148 H ARG 20 H ARG 20 6.080 -2.205 -3.353 149 HA ARG 20 HA ARG 20 5.530 -4.112 -5.533 150 HB2 ARG 20 1HB ARG 20 3.596 -4.066 -4.086 151 HB3 ARG 20 2HB ARG 20 3.593 -2.307 -4.073 152 HG2 ARG 20 1HG ARG 20 1.826 -3.086 -5.479 153 HG3 ARG 20 2HG ARG 20 3.060 -2.331 -6.484 154 HD2 ARG 20 1HD ARG 20 3.865 -4.442 -7.227 155 HD3 ARG 20 2HD ARG 20 2.896 -5.302 -6.024 156 HE ARG 20 HE ARG 20 0.915 -4.398 -7.280 157 HH11 ARG 20 1HH1 ARG 20 3.992 -4.981 -8.869 158 HH12 ARG 20 2HH1 ARG 20 3.273 -5.198 -10.439 159 HH21 ARG 20 1HH2 ARG 20 -0.021 -4.675 -9.329 160 HH22 ARG 20 2HH2 ARG 20 0.990 -5.030 -10.703 161 H GLN 21 H GLN 21 6.371 -3.295 -7.350 162 HA GLN 21 HA GLN 21 6.599 -0.407 -7.657 163 HB2 GLN 21 1HB GLN 21 7.889 -0.926 -9.699 164 HB3 GLN 21 2HB GLN 21 8.557 -1.700 -8.265 165 HG2 GLN 21 1HG GLN 21 7.711 -3.820 -8.916 166 HG3 GLN 21 2HG GLN 21 6.747 -3.104 -10.213 167 HE21 GLN 21 2HE2 GLN 21 7.684 -4.374 -11.779 168 HE22 GLN 21 1HE2 GLN 21 9.314 -4.119 -12.340 169 H VAL 22 H VAL 22 5.286 0.797 -8.826 170 HA VAL 22 HA VAL 22 3.441 -0.541 -10.702 171 HB VAL 22 HB VAL 22 2.887 2.010 -9.172 172 HG11 VAL 22 1HG1 VAL 22 1.110 0.262 -10.872 173 HG12 VAL 22 2HG1 VAL 22 1.706 1.869 -11.289 174 HG13 VAL 22 3HG1 VAL 22 0.579 1.666 -9.947 175 HG21 VAL 22 3HG2 VAL 22 1.850 -0.775 -8.647 176 HG22 VAL 22 1HG2 VAL 22 1.337 0.692 -7.814 177 HG23 VAL 22 2HG2 VAL 22 2.992 0.113 -7.639 178 H PHE 23 H PHE 23 3.621 0.085 -12.761 179 HA PHE 23 HA PHE 23 5.687 1.880 -13.508 180 HB2 PHE 23 1HB PHE 23 3.532 0.568 -15.170 181 HB3 PHE 23 2HB PHE 23 4.893 1.463 -15.835 182 HD1 PHE 23 HD2 PHE 23 7.169 0.569 -15.656 183 HD2 PHE 23 HD1 PHE 23 3.793 -1.649 -14.321 184 HE1 PHE 23 HE2 PHE 23 8.527 -1.481 -15.635 185 HE2 PHE 23 HE1 PHE 23 5.147 -3.702 -14.299 186 HZ PHE 23 HZ PHE 23 7.517 -3.619 -14.957 187 H GLY 24 H GLY 24 2.164 2.074 -14.003 188 HA2 GLY 24 1HA GLY 24 1.719 4.686 -13.396 189 HA3 GLY 24 2HA GLY 24 2.393 4.766 -15.022 190 H SER 25 H SER 25 -0.309 3.872 -13.082 191 HA SER 25 HA SER 25 -2.038 3.978 -15.406 192 HB2 SER 25 1HB SER 25 -2.001 1.568 -13.561 193 HB3 SER 25 2HB SER 25 -3.197 1.868 -14.820 194 HG SER 25 HG SER 25 -0.712 2.049 -15.847 195 H ARG 26 H ARG 26 -4.457 3.730 -14.493 196 HA ARG 26 HA ARG 26 -4.783 5.800 -12.603 197 HB2 ARG 26 1HB ARG 26 -7.139 5.327 -12.654 198 HB3 ARG 26 2HB ARG 26 -6.511 5.134 -14.285 199 HG2 ARG 26 1HG ARG 26 -6.579 2.765 -14.113 200 HG3 ARG 26 2HG ARG 26 -6.938 2.843 -12.390 201 HD2 ARG 26 1HD ARG 26 -9.072 4.019 -12.991 202 HD3 ARG 26 2HD ARG 26 -8.718 3.652 -14.681 203 HE ARG 26 HE ARG 26 -8.525 1.239 -13.478 204 HH11 ARG 26 1HH1 ARG 26 -11.025 3.700 -13.508 205 HH12 ARG 26 2HH1 ARG 26 -12.313 2.565 -13.221 206 HH21 ARG 26 1HH2 ARG 26 -10.211 -0.249 -13.152 207 HH22 ARG 26 2HH2 ARG 26 -11.853 0.314 -13.043 208 H GLU 27 H GLU 27 -4.531 2.351 -12.314 209 HA GLU 27 HA GLU 27 -5.438 1.952 -9.714 210 HB2 GLU 27 1HB GLU 27 -3.393 0.545 -11.407 211 HB3 GLU 27 2HB GLU 27 -3.707 0.033 -9.756 212 HG2 GLU 27 1HG GLU 27 -4.958 -1.326 -11.298 213 HG3 GLU 27 2HG GLU 27 -6.059 -0.348 -10.327 214 H GLN 28 H GLN 28 -2.556 3.491 -10.844 215 HA GLN 28 HA GLN 28 -0.947 3.043 -8.538 216 HB2 GLN 28 1HB GLN 28 -0.213 3.764 -10.899 217 HB3 GLN 28 2HB GLN 28 -0.656 5.392 -10.398 218 HG2 GLN 28 1HG GLN 28 0.925 5.204 -8.513 219 HG3 GLN 28 2HG GLN 28 1.409 3.620 -9.115 220 HE21 GLN 28 2HE2 GLN 28 3.491 4.107 -9.568 221 HE22 GLN 28 1HE2 GLN 28 3.983 5.238 -10.780 222 H LYS 29 H LYS 29 -3.531 5.189 -9.244 223 HA LYS 29 HA LYS 29 -2.836 7.402 -7.681 224 HB2 LYS 29 1HB LYS 29 -4.598 7.527 -9.328 225 HB3 LYS 29 2HB LYS 29 -5.564 6.358 -8.440 226 HG2 LYS 29 1HG LYS 29 -5.898 7.907 -6.642 227 HG3 LYS 29 2HG LYS 29 -4.774 9.058 -7.370 228 HD2 LYS 29 1HD LYS 29 -7.117 9.681 -7.772 229 HD3 LYS 29 2HD LYS 29 -6.257 9.338 -9.275 230 HE2 LYS 29 1HE LYS 29 -7.209 7.015 -9.167 231 HE3 LYS 29 2HE LYS 29 -8.216 7.566 -7.827 232 HZ1 LYS 29 3HZ LYS 29 -9.312 7.629 -10.032 233 HZ2 LYS 29 1HZ LYS 29 -8.205 8.820 -10.519 234 HZ3 LYS 29 2HZ LYS 29 -9.287 9.131 -9.245 235 HA PRO 30 HA PRO 30 -5.363 5.399 -3.990 236 HB2 PRO 30 1HB PRO 30 -5.321 2.634 -4.081 237 HB3 PRO 30 2HB PRO 30 -6.720 3.651 -4.444 238 HG2 PRO 30 1HG PRO 30 -4.788 2.347 -6.302 239 HG3 PRO 30 2HG PRO 30 -6.535 2.589 -6.482 240 HD2 PRO 30 1HD PRO 30 -4.758 4.117 -7.792 241 HD3 PRO 30 2HD PRO 30 -6.288 4.783 -7.179 242 H PHE 31 H PHE 31 -2.653 3.757 -5.556 243 HA PHE 31 HA PHE 31 -1.310 2.930 -3.230 244 HB2 PHE 31 1HB PHE 31 -0.327 3.677 -5.981 245 HB3 PHE 31 2HB PHE 31 0.776 3.187 -4.703 246 HD1 PHE 31 HD2 PHE 31 -2.183 2.041 -6.622 247 HD2 PHE 31 HD1 PHE 31 1.226 0.947 -4.333 248 HE1 PHE 31 HE2 PHE 31 -2.539 -0.315 -7.233 249 HE2 PHE 31 HE1 PHE 31 0.881 -1.410 -4.939 250 HZ PHE 31 HZ PHE 31 -1.002 -2.046 -6.391 251 H GLU 32 H GLU 32 -1.213 5.929 -5.082 252 HA GLU 32 HA GLU 32 0.695 7.245 -3.444 253 HB2 GLU 32 1HB GLU 32 -1.425 8.449 -5.236 254 HB3 GLU 32 2HB GLU 32 -0.005 9.278 -4.612 255 HG2 GLU 32 1HG GLU 32 1.441 7.790 -5.873 256 HG3 GLU 32 2HG GLU 32 0.035 6.913 -6.471 257 H ASP 33 H ASP 33 -2.783 6.889 -3.338 258 HA ASP 33 HA ASP 33 -3.295 8.858 -1.365 259 HB2 ASP 33 1HB ASP 33 -5.093 7.901 -2.743 260 HB3 ASP 33 2HB ASP 33 -4.842 6.328 -1.979 261 H LEU 34 H LEU 34 -2.536 5.411 -1.212 262 HA LEU 34 HA LEU 34 -2.703 5.167 1.588 263 HB2 LEU 34 1HB LEU 34 -1.032 3.614 -0.390 264 HB3 LEU 34 2HB LEU 34 -1.294 3.159 1.285 265 HG LEU 34 HG LEU 34 -3.363 3.271 -0.909 266 HD11 LEU 34 1HD1 LEU 34 -2.274 0.978 0.716 267 HD12 LEU 34 2HD1 LEU 34 -1.911 1.316 -0.975 268 HD13 LEU 34 3HD1 LEU 34 -3.549 0.872 -0.496 269 HD21 LEU 34 3HD2 LEU 34 -3.732 2.623 2.014 270 HD22 LEU 34 1HD2 LEU 34 -4.961 2.475 0.757 271 HD23 LEU 34 2HD2 LEU 34 -4.328 4.063 1.190 272 H VAL 35 H VAL 35 -0.161 6.289 -0.554 273 HA VAL 35 HA VAL 35 1.924 6.426 1.335 274 HB VAL 35 HB VAL 35 1.387 8.224 -1.041 275 HG11 VAL 35 1HG1 VAL 35 3.900 7.877 0.591 276 HG12 VAL 35 2HG1 VAL 35 2.885 9.318 0.523 277 HG13 VAL 35 3HG1 VAL 35 3.773 8.797 -0.908 278 HG21 VAL 35 3HG2 VAL 35 3.051 6.836 -2.179 279 HG22 VAL 35 1HG2 VAL 35 1.664 5.883 -1.653 280 HG23 VAL 35 2HG2 VAL 35 3.177 5.813 -0.748 281 H ASP 36 H ASP 36 -0.645 8.664 0.461 282 HA ASP 36 HA ASP 36 0.095 10.780 2.173 283 HB2 ASP 36 1HB ASP 36 -1.493 10.999 0.286 284 HB3 ASP 36 2HB ASP 36 -2.660 10.021 1.178 285 H LEU 37 H LEU 37 -1.812 7.882 2.637 286 HA LEU 37 HA LEU 37 -2.697 8.580 5.275 287 HB2 LEU 37 1HB LEU 37 -2.693 5.967 3.768 288 HB3 LEU 37 2HB LEU 37 -3.441 6.205 5.338 289 HG LEU 37 HG LEU 37 -4.239 7.647 2.809 290 HD11 LEU 37 1HD1 LEU 37 -6.244 6.249 2.910 291 HD12 LEU 37 2HD1 LEU 37 -5.564 5.376 4.284 292 HD13 LEU 37 3HD1 LEU 37 -4.784 5.280 2.704 293 HD21 LEU 37 3HD2 LEU 37 -6.169 8.378 4.129 294 HD22 LEU 37 1HD2 LEU 37 -4.654 8.962 4.818 295 HD23 LEU 37 2HD2 LEU 37 -5.488 7.595 5.556 296 H GLY 38 H GLY 38 0.181 7.302 3.952 297 HA2 GLY 38 1HA GLY 38 2.174 6.973 5.144 298 HA3 GLY 38 2HA GLY 38 1.242 6.896 6.636 299 H TRP 39 H TRP 39 0.170 5.001 3.969 300 HA TRP 39 HA TRP 39 0.845 2.566 5.436 301 HB2 TRP 39 1HB TRP 39 -0.913 3.027 3.013 302 HB3 TRP 39 2HB TRP 39 -0.661 1.462 3.783 303 HD1 TRP 39 HD1 TRP 39 -1.075 4.346 6.186 304 HE1 TRP 39 HE1 TRP 39 -3.411 4.233 7.273 305 HE3 TRP 39 HE3 TRP 39 -3.166 0.724 3.243 306 HZ2 TRP 39 HZ2 TRP 39 -5.787 2.800 6.935 307 HZ3 TRP 39 HZ3 TRP 39 -5.485 0.038 3.694 308 HH2 TRP 39 HH2 TRP 39 -6.771 1.057 5.508 309 H LEU 40 H LEU 40 1.440 4.215 2.419 310 HA LEU 40 HA LEU 40 3.477 2.205 1.736 311 HB2 LEU 40 1HB LEU 40 1.635 3.762 -0.065 312 HB3 LEU 40 2HB LEU 40 3.099 3.006 -0.659 313 HG LEU 40 HG LEU 40 0.787 1.557 0.628 314 HD11 LEU 40 1HD1 LEU 40 1.683 1.668 -2.252 315 HD12 LEU 40 2HD1 LEU 40 0.244 2.443 -1.588 316 HD13 LEU 40 3HD1 LEU 40 0.368 0.684 -1.607 317 HD21 LEU 40 3HD2 LEU 40 2.939 0.478 1.045 318 HD22 LEU 40 1HD2 LEU 40 3.295 0.512 -0.682 319 HD23 LEU 40 2HD2 LEU 40 1.958 -0.466 -0.074 320 H LYS 41 H LYS 41 5.332 3.027 0.602 321 HA LYS 41 HA LYS 41 5.795 5.903 0.876 322 HB2 LYS 41 1HB LYS 41 6.617 4.802 2.947 323 HB3 LYS 41 2HB LYS 41 7.673 3.792 1.961 324 HG2 LYS 41 1HG LYS 41 8.881 5.757 1.210 325 HG3 LYS 41 2HG LYS 41 7.799 6.799 2.139 326 HD2 LYS 41 1HD LYS 41 8.537 5.694 4.203 327 HD3 LYS 41 2HD LYS 41 9.638 4.686 3.262 328 HE2 LYS 41 1HE LYS 41 10.837 6.544 4.260 329 HE3 LYS 41 2HE LYS 41 10.818 6.693 2.503 330 HZ1 LYS 41 3HZ LYS 41 10.372 8.807 3.591 331 HZ2 LYS 41 1HZ LYS 41 9.023 8.146 4.376 332 HZ3 LYS 41 2HZ LYS 41 9.032 8.304 2.688 333 H ARG 42 H ARG 42 6.618 6.666 -0.949 334 HA ARG 42 HA ARG 42 7.467 4.828 -3.001 335 HB2 ARG 42 1HB ARG 42 7.409 7.855 -3.027 336 HB3 ARG 42 2HB ARG 42 7.653 6.814 -4.427 337 HG2 ARG 42 1HG ARG 42 5.383 5.819 -3.910 338 HG3 ARG 42 2HG ARG 42 5.168 7.158 -2.778 339 HD2 ARG 42 1HD ARG 42 5.723 7.416 -5.732 340 HD3 ARG 42 2HD ARG 42 4.154 7.625 -4.960 341 HE ARG 42 HE ARG 42 5.778 9.402 -3.670 342 HH11 ARG 42 1HH1 ARG 42 4.900 8.814 -7.006 343 HH12 ARG 42 2HH1 ARG 42 5.066 10.473 -7.483 344 HH21 ARG 42 1HH2 ARG 42 6.029 11.591 -4.298 345 HH22 ARG 42 2HH2 ARG 42 5.741 12.047 -5.957 346 H SER 43 H SER 43 9.390 3.956 -2.748 347 HA SER 43 HA SER 43 11.675 5.733 -2.234 348 HB2 SER 43 1HB SER 43 12.648 3.624 -1.047 349 HB3 SER 43 2HB SER 43 11.495 4.635 -0.177 350 HG SER 43 HG SER 43 9.852 3.148 -0.831 351 H SER 44 H SER 44 13.518 5.306 -3.414 352 HA SER 44 HA SER 44 14.657 4.722 -5.290 353 HB2 SER 44 1HB SER 44 13.418 1.993 -4.828 354 HB3 SER 44 2HB SER 44 14.859 2.338 -5.788 355 HG SER 44 HG SER 44 15.260 3.404 -3.405 356 H VAL 45 H VAL 45 12.969 6.185 -6.259 357 HA VAL 45 HA VAL 45 10.862 4.865 -7.729 358 HB VAL 45 HB VAL 45 10.304 7.191 -8.526 359 HG11 VAL 45 1HG1 VAL 45 9.391 7.886 -6.349 360 HG12 VAL 45 2HG1 VAL 45 10.424 6.699 -5.552 361 HG13 VAL 45 3HG1 VAL 45 9.154 6.165 -6.652 362 HG21 VAL 45 3HG2 VAL 45 11.300 9.080 -7.338 363 HG22 VAL 45 1HG2 VAL 45 12.520 8.202 -8.259 364 HG23 VAL 45 2HG2 VAL 45 12.410 7.986 -6.513 365 H ASP 46 H ASP 46 11.464 3.773 -9.445 366 HA ASP 46 HA ASP 46 13.584 4.560 -11.198 367 HB2 ASP 46 1HB ASP 46 11.553 2.365 -11.148 368 HB3 ASP 46 2HB ASP 46 12.331 2.742 -12.684 369 H SER 47 H SER 47 13.296 4.983 -13.482 370 HA SER 47 HA SER 47 11.155 6.812 -14.066 371 HB2 SER 47 1HB SER 47 13.486 7.043 -14.979 372 HB3 SER 47 2HB SER 47 13.205 5.594 -15.944 373 HG SER 47 HG SER 47 12.543 8.116 -16.491 374 H ARG 48 H ARG 48 11.856 3.482 -14.404 375 HA ARG 48 HA ARG 48 9.841 2.852 -16.331 376 HB2 ARG 48 1HB ARG 48 11.388 1.147 -14.379 377 HB3 ARG 48 2HB ARG 48 10.260 0.498 -15.561 378 HG2 ARG 48 1HG ARG 48 11.611 1.170 -17.370 379 HG3 ARG 48 2HG ARG 48 12.610 2.196 -16.340 380 HD2 ARG 48 1HD ARG 48 12.426 -0.801 -16.073 381 HD3 ARG 48 2HD ARG 48 13.673 0.033 -17.002 382 HE ARG 48 HE ARG 48 13.326 0.625 -14.143 383 HH11 ARG 48 1HH1 ARG 48 15.261 -0.651 -16.758 384 HH12 ARG 48 2HH1 ARG 48 16.739 -0.641 -15.841 385 HH21 ARG 48 1HH2 ARG 48 15.263 0.652 -12.927 386 HH22 ARG 48 2HH2 ARG 48 16.742 0.096 -13.667 387 H ALA 49 H ALA 49 10.117 2.182 -12.844 388 HA ALA 49 HA ALA 49 7.207 2.389 -12.621 389 HB1 ALA 49 3HB ALA 49 8.787 0.024 -11.618 390 HB2 ALA 49 1HB ALA 49 7.690 0.023 -12.999 391 HB3 ALA 49 2HB ALA 49 7.061 0.302 -11.376 392 H THR 50 H THR 50 6.460 3.044 -10.656 393 HA THR 50 HA THR 50 8.393 4.182 -8.822 394 HB THR 50 HB THR 50 5.371 4.171 -8.636 395 HG1 THR 50 HG1 THR 50 7.169 5.938 -9.967 396 HG21 THR 50 3HG2 THR 50 5.707 6.175 -7.257 397 HG22 THR 50 1HG2 THR 50 7.454 5.977 -7.402 398 HG23 THR 50 2HG2 THR 50 6.497 4.765 -6.550 399 H HIS 51 H HIS 51 9.138 3.098 -7.087 400 HA HIS 51 HA HIS 51 7.940 0.531 -6.420 401 HB2 HIS 51 1HB HIS 51 10.473 1.862 -5.430 402 HB3 HIS 51 2HB HIS 51 9.939 0.254 -4.950 403 HD1 HIS 51 HD1 HIS 51 11.485 -1.339 -6.044 404 HD2 HIS 51 HD2 HIS 51 10.383 1.751 -8.599 405 HE1 HIS 51 HE1 HIS 51 12.561 -1.865 -8.253 406 HE2 HIS 51 HE2 HIS 51 12.114 0.170 -9.671 407 H TYR 52 H TYR 52 6.420 0.395 -4.917 408 HA TYR 52 HA TYR 52 6.367 2.378 -2.757 409 HB2 TYR 52 1HB TYR 52 4.295 0.387 -3.707 410 HB3 TYR 52 2HB TYR 52 4.099 1.412 -2.281 411 HD1 TYR 52 HD2 TYR 52 3.749 3.789 -2.496 412 HD2 TYR 52 HD1 TYR 52 4.189 1.338 -5.944 413 HE1 TYR 52 HE2 TYR 52 2.882 5.614 -3.900 414 HE2 TYR 52 HE1 TYR 52 3.328 3.156 -7.357 415 HH TYR 52 HH TYR 52 1.818 5.214 -6.997 416 H GLN 53 H GLN 53 7.147 1.882 -0.863 417 HA GLN 53 HA GLN 53 7.578 -0.933 -0.167 418 HB2 GLN 53 1HB GLN 53 9.589 0.344 -0.043 419 HB3 GLN 53 2HB GLN 53 8.790 1.646 0.831 420 HG2 GLN 53 1HG GLN 53 10.158 0.468 2.365 421 HG3 GLN 53 2HG GLN 53 8.478 0.084 2.740 422 HE21 GLN 53 2HE2 GLN 53 10.904 -1.352 3.403 423 HE22 GLN 53 1HE2 GLN 53 10.719 -2.943 2.744 424 H ILE 54 H ILE 54 6.648 -1.850 1.604 425 HA ILE 54 HA ILE 54 4.335 -0.731 2.743 426 HB ILE 54 HB ILE 54 4.560 -2.535 4.476 427 HG12 ILE 54 1HG1 ILE 54 6.935 -3.373 2.796 428 HG13 ILE 54 2HG1 ILE 54 7.054 -2.650 4.397 429 HG21 ILE 54 1HG2 ILE 54 3.275 -2.848 2.451 430 HG22 ILE 54 2HG2 ILE 54 4.107 -4.343 2.880 431 HG23 ILE 54 3HG2 ILE 54 4.729 -3.330 1.576 432 HD11 ILE 54 3HD1 ILE 54 5.723 -5.267 3.740 433 HD12 ILE 54 1HD1 ILE 54 5.852 -4.544 5.344 434 HD13 ILE 54 2HD1 ILE 54 7.306 -5.061 4.491 435 H THR 55 H THR 55 4.051 0.687 4.302 436 HA THR 55 HA THR 55 6.339 1.399 5.996 437 HB THR 55 HB THR 55 3.825 3.021 5.966 438 HG1 THR 55 HG1 THR 55 5.225 2.385 3.741 439 HG21 THR 55 3HG2 THR 55 5.745 3.647 7.389 440 HG22 THR 55 1HG2 THR 55 5.407 4.869 6.161 441 HG23 THR 55 2HG2 THR 55 6.758 3.755 5.946 442 H GLU 56 H GLU 56 5.424 2.217 8.283 443 HA GLU 56 HA GLU 56 4.780 -0.129 9.630 444 HB2 GLU 56 1HB GLU 56 5.925 1.813 10.637 445 HB3 GLU 56 2HB GLU 56 4.407 2.701 10.609 446 HG2 GLU 56 1HG GLU 56 3.418 1.172 12.166 447 HG3 GLU 56 2HG GLU 56 4.837 0.126 12.103 448 H ARG 57 H ARG 57 2.673 2.685 8.993 449 HA ARG 57 HA ARG 57 0.341 1.592 10.112 450 HB2 ARG 57 1HB ARG 57 0.599 3.543 7.814 451 HB3 ARG 57 2HB ARG 57 -0.888 3.211 8.698 452 HG2 ARG 57 1HG ARG 57 0.130 4.080 10.738 453 HG3 ARG 57 2HG ARG 57 1.624 4.408 9.856 454 HD2 ARG 57 1HD ARG 57 0.351 5.903 8.348 455 HD3 ARG 57 2HD ARG 57 -1.084 5.633 9.342 456 HE ARG 57 HE ARG 57 0.998 6.536 10.996 457 HH11 ARG 57 1HH1 ARG 57 -1.072 7.698 8.420 458 HH12 ARG 57 2HH1 ARG 57 -1.023 9.354 8.953 459 HH21 ARG 57 1HH2 ARG 57 1.082 8.714 11.689 460 HH22 ARG 57 2HH2 ARG 57 0.203 9.933 10.814 461 H GLY 58 H GLY 58 1.820 1.175 6.967 462 HA2 GLY 58 1HA GLY 58 -0.414 -0.039 5.692 463 HA3 GLY 58 2HA GLY 58 1.261 -0.121 5.152 464 H THR 59 H THR 59 2.244 -1.295 7.619 465 HA THR 59 HA THR 59 1.698 -4.033 7.103 466 HB THR 59 HB THR 59 3.060 -2.821 9.520 467 HG1 THR 59 HG1 THR 59 4.841 -2.712 8.308 468 HG21 THR 59 3HG2 THR 59 2.431 -5.172 9.824 469 HG22 THR 59 1HG2 THR 59 4.181 -5.004 9.673 470 HG23 THR 59 2HG2 THR 59 3.229 -5.587 8.306 471 H SER 60 H SER 60 0.729 -1.785 9.653 472 HA SER 60 HA SER 60 -0.712 -3.673 11.187 473 HB2 SER 60 1HB SER 60 0.117 -1.497 12.068 474 HB3 SER 60 2HB SER 60 -1.092 -0.669 11.081 475 HG SER 60 HG SER 60 -1.567 -2.531 13.182 476 H ALA 61 H ALA 61 -1.644 -1.446 8.609 477 HA ALA 61 HA ALA 61 -4.439 -1.813 8.855 478 HB1 ALA 61 3HB ALA 61 -4.595 -0.705 6.713 479 HB2 ALA 61 1HB ALA 61 -2.874 -0.962 6.425 480 HB3 ALA 61 2HB ALA 61 -3.403 0.107 7.726 481 H ALA 62 H ALA 62 -1.993 -3.403 6.864 482 HA ALA 62 HA ALA 62 -3.794 -4.890 5.274 483 HB1 ALA 62 3HB ALA 62 -1.489 -4.494 4.609 484 HB2 ALA 62 1HB ALA 62 -1.848 -6.220 4.648 485 HB3 ALA 62 2HB ALA 62 -0.921 -5.482 5.956 486 H LEU 63 H LEU 63 -2.631 -5.314 8.481 487 HA LEU 63 HA LEU 63 -3.090 -8.149 8.600 488 HB2 LEU 63 1HB LEU 63 -1.371 -6.984 9.959 489 HB3 LEU 63 2HB LEU 63 -2.654 -6.159 10.831 490 HG LEU 63 HG LEU 63 -3.468 -8.354 11.650 491 HD11 LEU 63 1HD1 LEU 63 -2.011 -10.313 11.417 492 HD12 LEU 63 2HD1 LEU 63 -0.979 -9.404 10.312 493 HD13 LEU 63 3HD1 LEU 63 -2.645 -9.771 9.864 494 HD21 LEU 63 3HD2 LEU 63 -1.974 -6.994 13.011 495 HD22 LEU 63 1HD2 LEU 63 -0.575 -7.745 12.244 496 HD23 LEU 63 2HD2 LEU 63 -1.655 -8.712 13.248 497 H ARG 64 H ARG 64 -5.076 -5.438 8.698 498 HA ARG 64 HA ARG 64 -6.955 -6.379 10.667 499 HB2 ARG 64 1HB ARG 64 -7.429 -4.251 8.580 500 HB3 ARG 64 2HB ARG 64 -8.266 -4.454 10.112 501 HG2 ARG 64 1HG ARG 64 -5.384 -3.654 9.765 502 HG3 ARG 64 2HG ARG 64 -6.721 -2.581 10.177 503 HD2 ARG 64 1HD ARG 64 -7.058 -3.748 12.270 504 HD3 ARG 64 2HD ARG 64 -5.812 -4.924 11.844 505 HE ARG 64 HE ARG 64 -4.206 -3.057 11.922 506 HH11 ARG 64 1HH1 ARG 64 -7.245 -2.793 13.643 507 HH12 ARG 64 2HH1 ARG 64 -6.687 -1.525 14.693 508 HH21 ARG 64 1HH2 ARG 64 -3.450 -1.404 13.314 509 HH22 ARG 64 2HH2 ARG 64 -4.529 -0.725 14.502 510 H SER 65 H SER 65 -8.954 -7.293 10.307 511 HA SER 65 HA SER 65 -9.910 -7.662 7.596 512 HB2 SER 65 1HB SER 65 -9.383 -10.032 9.413 513 HB3 SER 65 2HB SER 65 -10.174 -10.097 7.837 514 HG SER 65 HG SER 65 -7.858 -8.793 7.588 Start of MODEL 18 1 H1 MET 1 1H MET 1 -9.170 8.707 2.754 2 H2 MET 1 2H MET 1 -9.772 9.585 4.079 3 H3 MET 1 3H MET 1 -10.823 8.657 3.123 4 HA MET 1 HA MET 1 -8.624 7.591 4.790 5 HB2 MET 1 1HB MET 1 -11.625 7.449 5.182 6 HB3 MET 1 2HB MET 1 -10.424 6.626 6.174 7 HG2 MET 1 1HG MET 1 -9.497 8.851 6.782 8 HG3 MET 1 2HG MET 1 -10.843 9.594 5.915 9 HE1 MET 1 3HE MET 1 -9.677 7.613 9.054 10 HE2 MET 1 1HE MET 1 -10.665 6.395 8.243 11 HE3 MET 1 2HE MET 1 -11.201 7.091 9.772 12 H ALA 2 H ALA 2 -9.165 5.139 5.138 13 HA ALA 2 HA ALA 2 -9.410 4.076 2.408 14 HB1 ALA 2 3HB ALA 2 -8.066 2.200 3.199 15 HB2 ALA 2 1HB ALA 2 -8.040 2.895 4.819 16 HB3 ALA 2 2HB ALA 2 -7.249 3.736 3.486 17 H THR 3 H THR 3 -10.320 1.924 2.160 18 HA THR 3 HA THR 3 -12.328 1.255 4.214 19 HB THR 3 HB THR 3 -13.376 2.242 2.179 20 HG1 THR 3 HG1 THR 3 -14.792 0.898 3.091 21 HG21 THR 3 3HG2 THR 3 -13.390 0.960 0.089 22 HG22 THR 3 1HG2 THR 3 -12.244 -0.187 0.785 23 HG23 THR 3 2HG2 THR 3 -11.760 1.487 0.509 24 H ALA 4 H ALA 4 -13.149 -1.159 3.531 25 HA ALA 4 HA ALA 4 -11.075 -2.873 4.266 26 HB1 ALA 4 3HB ALA 4 -12.598 -4.699 3.746 27 HB2 ALA 4 1HB ALA 4 -13.635 -3.591 2.850 28 HB3 ALA 4 2HB ALA 4 -13.437 -3.399 4.592 29 H ASP 5 H ASP 5 -12.193 -1.915 1.092 30 HA ASP 5 HA ASP 5 -10.813 -3.876 -0.401 31 HB2 ASP 5 1HB ASP 5 -11.844 -1.136 -1.124 32 HB3 ASP 5 2HB ASP 5 -11.023 -2.174 -2.291 33 H ASP 6 H ASP 6 -9.806 -0.825 0.985 34 HA ASP 6 HA ASP 6 -7.335 -0.656 -0.435 35 HB2 ASP 6 1HB ASP 6 -8.223 0.598 2.172 36 HB3 ASP 6 2HB ASP 6 -6.688 0.955 1.378 37 H PHE 7 H PHE 7 -8.364 -2.076 2.612 38 HA PHE 7 HA PHE 7 -5.892 -2.867 3.603 39 HB2 PHE 7 1HB PHE 7 -8.650 -4.044 3.874 40 HB3 PHE 7 2HB PHE 7 -7.253 -4.767 4.666 41 HD1 PHE 7 HD2 PHE 7 -6.109 -3.602 6.472 42 HD2 PHE 7 HD1 PHE 7 -9.589 -1.977 4.652 43 HE1 PHE 7 HE2 PHE 7 -6.373 -2.057 8.368 44 HE2 PHE 7 HE1 PHE 7 -9.864 -0.431 6.544 45 HZ PHE 7 HZ PHE 7 -8.254 -0.469 8.407 46 H LYS 8 H LYS 8 -8.031 -4.392 1.266 47 HA LYS 8 HA LYS 8 -6.657 -6.811 0.925 48 HB2 LYS 8 1HB LYS 8 -8.102 -5.255 -1.226 49 HB3 LYS 8 2HB LYS 8 -7.795 -6.984 -1.203 50 HG2 LYS 8 1HG LYS 8 -9.317 -7.289 0.629 51 HG3 LYS 8 2HG LYS 8 -9.534 -5.539 0.784 52 HD2 LYS 8 1HD LYS 8 -10.412 -5.531 -1.561 53 HD3 LYS 8 2HD LYS 8 -10.366 -7.294 -1.525 54 HE2 LYS 8 1HE LYS 8 -11.921 -7.318 0.338 55 HE3 LYS 8 2HE LYS 8 -11.927 -5.556 0.383 56 HZ1 LYS 8 3HZ LYS 8 -12.876 -5.538 -1.842 57 HZ2 LYS 8 1HZ LYS 8 -13.863 -6.405 -0.771 58 HZ3 LYS 8 2HZ LYS 8 -12.879 -7.235 -1.877 59 H LEU 9 H LEU 9 -6.335 -3.700 -0.703 60 HA LEU 9 HA LEU 9 -4.366 -4.507 -2.558 61 HB2 LEU 9 1HB LEU 9 -5.915 -2.517 -2.713 62 HB3 LEU 9 2HB LEU 9 -4.881 -1.709 -1.547 63 HG LEU 9 HG LEU 9 -3.758 -2.736 -4.143 64 HD11 LEU 9 1HD1 LEU 9 -5.059 -0.055 -3.675 65 HD12 LEU 9 2HD1 LEU 9 -5.683 -1.341 -4.706 66 HD13 LEU 9 3HD1 LEU 9 -4.168 -0.536 -5.118 67 HD21 LEU 9 3HD2 LEU 9 -2.137 -0.948 -3.788 68 HD22 LEU 9 1HD2 LEU 9 -2.184 -2.035 -2.400 69 HD23 LEU 9 2HD2 LEU 9 -2.978 -0.461 -2.316 70 H ILE 10 H ILE 10 -4.157 -2.884 0.603 71 HA ILE 10 HA ILE 10 -1.365 -2.446 0.440 72 HB ILE 10 HB ILE 10 -2.852 -1.167 1.968 73 HG12 ILE 10 1HG1 ILE 10 -1.251 -1.095 3.862 74 HG13 ILE 10 2HG1 ILE 10 -0.509 -2.574 3.260 75 HG21 ILE 10 1HG2 ILE 10 -3.436 -2.105 4.148 76 HG22 ILE 10 2HG2 ILE 10 -2.801 -3.670 3.640 77 HG23 ILE 10 3HG2 ILE 10 -4.211 -2.987 2.830 78 HD11 ILE 10 3HD1 ILE 10 -0.624 0.058 1.809 79 HD12 ILE 10 1HD1 ILE 10 0.124 -1.423 1.210 80 HD13 ILE 10 2HD1 ILE 10 0.780 -0.618 2.636 81 H ARG 11 H ARG 11 -3.286 -5.141 1.637 82 HA ARG 11 HA ARG 11 -1.082 -6.509 2.831 83 HB2 ARG 11 1HB ARG 11 -3.770 -7.497 1.875 84 HB3 ARG 11 2HB ARG 11 -2.589 -8.524 2.677 85 HG2 ARG 11 1HG ARG 11 -2.672 -7.027 4.640 86 HG3 ARG 11 2HG ARG 11 -3.936 -6.092 3.836 87 HD2 ARG 11 1HD ARG 11 -4.070 -8.994 4.640 88 HD3 ARG 11 2HD ARG 11 -4.931 -7.652 5.392 89 HE ARG 11 HE ARG 11 -5.407 -8.518 2.614 90 HH11 ARG 11 1HH1 ARG 11 -6.576 -7.495 5.755 91 HH12 ARG 11 2HH1 ARG 11 -8.234 -7.437 5.246 92 HH21 ARG 11 1HH2 ARG 11 -7.590 -8.472 1.963 93 HH22 ARG 11 2HH2 ARG 11 -8.812 -7.996 3.112 94 H ASP 12 H ASP 12 -2.435 -6.344 -0.385 95 HA ASP 12 HA ASP 12 -1.094 -8.521 -1.553 96 HB2 ASP 12 1HB ASP 12 -2.911 -7.362 -2.702 97 HB3 ASP 12 2HB ASP 12 -1.943 -5.891 -2.784 98 H ILE 13 H ILE 13 -0.127 -5.203 -0.937 99 HA ILE 13 HA ILE 13 2.299 -5.122 -2.286 100 HB ILE 13 HB ILE 13 1.923 -3.887 0.436 101 HG12 ILE 13 1HG1 ILE 13 -0.105 -3.420 -0.885 102 HG13 ILE 13 2HG1 ILE 13 0.848 -1.964 -0.629 103 HG21 ILE 13 1HG2 ILE 13 3.422 -2.979 -2.018 104 HG22 ILE 13 2HG2 ILE 13 4.133 -3.681 -0.564 105 HG23 ILE 13 3HG2 ILE 13 3.333 -2.112 -0.484 106 HD11 ILE 13 3HD1 ILE 13 0.765 -3.608 -3.145 107 HD12 ILE 13 1HD1 ILE 13 1.736 -2.157 -2.897 108 HD13 ILE 13 2HD1 ILE 13 -0.024 -2.053 -2.882 109 H HIS 14 H HIS 14 1.520 -6.248 0.962 110 HA HIS 14 HA HIS 14 4.161 -6.978 1.694 111 HB2 HIS 14 1HB HIS 14 1.472 -7.862 2.762 112 HB3 HIS 14 2HB HIS 14 3.011 -8.316 3.486 113 HD1 HIS 14 HD1 HIS 14 4.153 -6.580 4.978 114 HD2 HIS 14 HD2 HIS 14 0.728 -5.194 3.083 115 HE1 HIS 14 HE1 HIS 14 3.661 -4.339 6.016 116 HE2 HIS 14 HE2 HIS 14 1.444 -3.655 5.034 117 H SER 15 H SER 15 1.415 -8.734 0.350 118 HA SER 15 HA SER 15 2.497 -11.310 0.412 119 HB2 SER 15 1HB SER 15 0.101 -10.733 -0.022 120 HB3 SER 15 2HB SER 15 0.564 -10.191 -1.633 121 HG SER 15 HG SER 15 0.197 -12.728 -0.660 122 H THR 16 H THR 16 2.799 -8.725 -1.971 123 HA THR 16 HA THR 16 4.125 -10.265 -3.953 124 HB THR 16 HB THR 16 4.231 -7.266 -3.523 125 HG1 THR 16 HG1 THR 16 2.076 -7.935 -3.771 126 HG21 THR 16 3HG2 THR 16 4.711 -7.152 -5.914 127 HG22 THR 16 1HG2 THR 16 4.676 -8.912 -6.018 128 HG23 THR 16 2HG2 THR 16 5.939 -8.110 -5.084 129 H GLY 17 H GLY 17 5.161 -8.936 -0.969 130 HA2 GLY 17 1HA GLY 17 7.413 -10.078 -0.447 131 HA3 GLY 17 2HA GLY 17 7.986 -9.072 -1.775 132 H GLY 18 H GLY 18 5.848 -7.062 -0.659 133 HA2 GLY 18 1HA GLY 18 5.916 -5.795 1.482 134 HA3 GLY 18 2HA GLY 18 7.668 -5.965 1.400 135 H ARG 19 H ARG 19 6.800 -5.600 -1.684 136 HA ARG 19 HA ARG 19 6.434 -2.723 -1.663 137 HB2 ARG 19 1HB ARG 19 8.331 -2.233 -3.065 138 HB3 ARG 19 2HB ARG 19 8.908 -3.069 -1.628 139 HG2 ARG 19 1HG ARG 19 8.400 -4.477 -4.235 140 HG3 ARG 19 2HG ARG 19 9.948 -3.741 -3.825 141 HD2 ARG 19 1HD ARG 19 10.261 -5.210 -1.992 142 HD3 ARG 19 2HD ARG 19 8.596 -5.784 -2.081 143 HE ARG 19 HE ARG 19 9.756 -6.361 -4.527 144 HH11 ARG 19 1HH1 ARG 19 10.386 -7.203 -1.178 145 HH12 ARG 19 2HH1 ARG 19 10.921 -8.817 -1.556 146 HH21 ARG 19 1HH2 ARG 19 10.472 -8.470 -5.026 147 HH22 ARG 19 2HH2 ARG 19 10.972 -9.536 -3.737 148 H ARG 20 H ARG 20 5.656 -1.907 -3.648 149 HA ARG 20 HA ARG 20 5.050 -3.894 -5.723 150 HB2 ARG 20 1HB ARG 20 3.063 -3.661 -4.279 151 HB3 ARG 20 2HB ARG 20 3.069 -1.924 -4.565 152 HG2 ARG 20 1HG ARG 20 1.401 -2.922 -5.952 153 HG3 ARG 20 2HG ARG 20 2.726 -2.381 -6.983 154 HD2 ARG 20 1HD ARG 20 3.591 -4.641 -7.112 155 HD3 ARG 20 2HD ARG 20 2.342 -5.205 -5.997 156 HE ARG 20 HE ARG 20 1.565 -4.002 -8.570 157 HH11 ARG 20 1HH1 ARG 20 1.671 -6.740 -6.396 158 HH12 ARG 20 2HH1 ARG 20 0.574 -7.701 -7.335 159 HH21 ARG 20 1HH2 ARG 20 0.146 -5.263 -9.837 160 HH22 ARG 20 2HH2 ARG 20 -0.283 -6.860 -9.312 161 H GLN 21 H GLN 21 5.776 -3.157 -7.615 162 HA GLN 21 HA GLN 21 6.187 -0.278 -7.908 163 HB2 GLN 21 1HB GLN 21 7.593 -0.934 -9.890 164 HB3 GLN 21 2HB GLN 21 8.190 -1.489 -8.330 165 HG2 GLN 21 1HG GLN 21 7.392 -3.712 -8.747 166 HG3 GLN 21 2HG GLN 21 6.601 -3.192 -10.236 167 HE21 GLN 21 2HE2 GLN 21 8.799 -1.467 -11.028 168 HE22 GLN 21 1HE2 GLN 21 10.060 -2.522 -11.590 169 H VAL 22 H VAL 22 4.865 0.885 -9.062 170 HA VAL 22 HA VAL 22 3.186 -0.439 -11.094 171 HB VAL 22 HB VAL 22 2.614 2.161 -9.652 172 HG11 VAL 22 1HG1 VAL 22 1.577 2.023 -11.841 173 HG12 VAL 22 2HG1 VAL 22 0.358 1.888 -10.574 174 HG13 VAL 22 3HG1 VAL 22 0.894 0.447 -11.439 175 HG21 VAL 22 3HG2 VAL 22 1.449 -0.578 -9.157 176 HG22 VAL 22 1HG2 VAL 22 0.933 0.921 -8.384 177 HG23 VAL 22 2HG2 VAL 22 2.553 0.287 -8.086 178 H PHE 23 H PHE 23 3.367 0.257 -13.165 179 HA PHE 23 HA PHE 23 5.779 1.575 -13.806 180 HB2 PHE 23 1HB PHE 23 3.472 0.761 -15.568 181 HB3 PHE 23 2HB PHE 23 5.028 1.331 -16.166 182 HD1 PHE 23 HD2 PHE 23 7.064 -0.009 -15.786 183 HD2 PHE 23 HD1 PHE 23 3.196 -1.459 -14.761 184 HE1 PHE 23 HE2 PHE 23 7.961 -2.296 -15.647 185 HE2 PHE 23 HE1 PHE 23 4.087 -3.748 -14.618 186 HZ PHE 23 HZ PHE 23 6.472 -4.169 -15.062 187 H GLY 24 H GLY 24 2.581 2.576 -15.028 188 HA2 GLY 24 1HA GLY 24 2.756 5.231 -14.087 189 HA3 GLY 24 2HA GLY 24 3.440 5.158 -15.708 190 H SER 25 H SER 25 0.549 4.394 -13.832 191 HA SER 25 HA SER 25 -1.090 5.284 -16.060 192 HB2 SER 25 1HB SER 25 -2.515 3.237 -15.906 193 HB3 SER 25 2HB SER 25 -0.886 2.900 -16.492 194 HG SER 25 HG SER 25 -1.155 1.399 -14.965 195 H ARG 26 H ARG 26 -3.562 4.669 -15.129 196 HA ARG 26 HA ARG 26 -3.886 6.418 -12.904 197 HB2 ARG 26 1HB ARG 26 -5.792 4.612 -14.385 198 HB3 ARG 26 2HB ARG 26 -6.295 5.525 -12.972 199 HG2 ARG 26 1HG ARG 26 -6.943 6.777 -14.866 200 HG3 ARG 26 2HG ARG 26 -5.551 7.603 -14.168 201 HD2 ARG 26 1HD ARG 26 -4.103 6.527 -15.843 202 HD3 ARG 26 2HD ARG 26 -5.522 5.757 -16.553 203 HE ARG 26 HE ARG 26 -5.910 8.551 -16.440 204 HH11 ARG 26 1HH1 ARG 26 -4.067 6.131 -18.191 205 HH12 ARG 26 2HH1 ARG 26 -3.905 7.113 -19.617 206 HH21 ARG 26 1HH2 ARG 26 -5.701 9.825 -18.316 207 HH22 ARG 26 2HH2 ARG 26 -4.826 9.209 -19.682 208 H GLU 27 H GLU 27 -3.111 3.161 -13.206 209 HA GLU 27 HA GLU 27 -4.220 1.992 -10.932 210 HB2 GLU 27 1HB GLU 27 -3.086 0.747 -12.725 211 HB3 GLU 27 2HB GLU 27 -1.546 1.448 -12.239 212 HG2 GLU 27 1HG GLU 27 -1.571 0.262 -10.176 213 HG3 GLU 27 2HG GLU 27 -3.231 -0.280 -10.444 214 H GLN 28 H GLN 28 -1.608 4.274 -11.247 215 HA GLN 28 HA GLN 28 -0.402 3.765 -8.722 216 HB2 GLN 28 1HB GLN 28 -0.305 6.186 -10.525 217 HB3 GLN 28 2HB GLN 28 0.663 6.001 -9.069 218 HG2 GLN 28 1HG GLN 28 1.607 3.910 -10.087 219 HG3 GLN 28 2HG GLN 28 0.792 4.367 -11.583 220 HE21 GLN 28 2HE2 GLN 28 3.636 4.063 -11.040 221 HE22 GLN 28 1HE2 GLN 28 4.366 5.593 -11.408 222 H LYS 29 H LYS 29 -3.257 5.434 -9.657 223 HA LYS 29 HA LYS 29 -3.226 7.500 -7.747 224 HB2 LYS 29 1HB LYS 29 -5.537 6.255 -9.230 225 HB3 LYS 29 2HB LYS 29 -5.680 7.687 -8.217 226 HG2 LYS 29 1HG LYS 29 -3.954 7.417 -10.674 227 HG3 LYS 29 2HG LYS 29 -5.477 8.305 -10.554 228 HD2 LYS 29 1HD LYS 29 -4.554 9.961 -9.220 229 HD3 LYS 29 2HD LYS 29 -3.215 8.941 -8.703 230 HE2 LYS 29 1HE LYS 29 -2.476 9.012 -11.159 231 HE3 LYS 29 2HE LYS 29 -3.592 10.369 -11.310 232 HZ1 LYS 29 3HZ LYS 29 -1.483 10.267 -9.233 233 HZ2 LYS 29 1HZ LYS 29 -2.375 11.616 -9.745 234 HZ3 LYS 29 2HZ LYS 29 -1.208 10.933 -10.767 235 HA PRO 30 HA PRO 30 -5.934 4.653 -4.890 236 HB2 PRO 30 1HB PRO 30 -5.501 1.969 -5.250 237 HB3 PRO 30 2HB PRO 30 -6.893 2.847 -5.895 238 HG2 PRO 30 1HG PRO 30 -4.361 2.035 -7.262 239 HG3 PRO 30 2HG PRO 30 -6.026 2.012 -7.873 240 HD2 PRO 30 1HD PRO 30 -4.276 3.943 -8.556 241 HD3 PRO 30 2HD PRO 30 -6.012 4.276 -8.357 242 H PHE 31 H PHE 31 -2.756 3.927 -6.096 243 HA PHE 31 HA PHE 31 -1.789 2.825 -3.625 244 HB2 PHE 31 1HB PHE 31 -0.498 3.568 -6.235 245 HB3 PHE 31 2HB PHE 31 0.466 3.116 -4.833 246 HD1 PHE 31 HD2 PHE 31 -2.375 1.881 -6.900 247 HD2 PHE 31 HD1 PHE 31 1.000 0.905 -4.505 248 HE1 PHE 31 HE2 PHE 31 -2.657 -0.493 -7.478 249 HE2 PHE 31 HE1 PHE 31 0.724 -1.470 -5.079 250 HZ PHE 31 HZ PHE 31 -1.107 -2.172 -6.566 251 H GLU 32 H GLU 32 -1.368 5.877 -5.393 252 HA GLU 32 HA GLU 32 0.406 7.018 -3.511 253 HB2 GLU 32 1HB GLU 32 -0.063 9.158 -4.621 254 HB3 GLU 32 2HB GLU 32 0.288 7.880 -5.773 255 HG2 GLU 32 1HG GLU 32 -2.050 7.659 -6.301 256 HG3 GLU 32 2HG GLU 32 -2.471 8.842 -5.062 257 H ASP 33 H ASP 33 -3.056 6.795 -3.630 258 HA ASP 33 HA ASP 33 -3.638 8.759 -1.678 259 HB2 ASP 33 1HB ASP 33 -5.377 7.735 -3.118 260 HB3 ASP 33 2HB ASP 33 -5.168 6.211 -2.255 261 H LEU 34 H LEU 34 -2.827 5.329 -1.473 262 HA LEU 34 HA LEU 34 -3.051 5.141 1.345 263 HB2 LEU 34 1HB LEU 34 -1.434 3.498 -0.604 264 HB3 LEU 34 2HB LEU 34 -1.674 3.093 1.087 265 HG LEU 34 HG LEU 34 -3.811 3.228 -1.042 266 HD11 LEU 34 1HD1 LEU 34 -2.628 0.904 0.472 267 HD12 LEU 34 2HD1 LEU 34 -2.384 1.273 -1.236 268 HD13 LEU 34 3HD1 LEU 34 -3.984 0.816 -0.653 269 HD21 LEU 34 3HD2 LEU 34 -4.690 3.969 1.103 270 HD22 LEU 34 1HD2 LEU 34 -4.032 2.532 1.886 271 HD23 LEU 34 2HD2 LEU 34 -5.318 2.374 0.690 272 H VAL 35 H VAL 35 -0.529 6.149 -0.851 273 HA VAL 35 HA VAL 35 1.612 6.298 0.977 274 HB VAL 35 HB VAL 35 1.035 8.032 -1.439 275 HG11 VAL 35 1HG1 VAL 35 2.612 9.124 0.063 276 HG12 VAL 35 2HG1 VAL 35 3.414 8.585 -1.411 277 HG13 VAL 35 3HG1 VAL 35 3.611 7.672 0.085 278 HG21 VAL 35 3HG2 VAL 35 2.792 5.603 -1.135 279 HG22 VAL 35 1HG2 VAL 35 2.614 6.574 -2.596 280 HG23 VAL 35 2HG2 VAL 35 1.241 5.661 -1.971 281 H ASP 36 H ASP 36 -0.980 8.507 0.147 282 HA ASP 36 HA ASP 36 -0.172 10.678 1.770 283 HB2 ASP 36 1HB ASP 36 -1.771 10.939 -0.062 284 HB3 ASP 36 2HB ASP 36 -2.913 9.877 0.761 285 H LEU 37 H LEU 37 -2.255 7.890 2.307 286 HA LEU 37 HA LEU 37 -3.099 8.622 4.918 287 HB2 LEU 37 1HB LEU 37 -3.004 5.924 3.567 288 HB3 LEU 37 2HB LEU 37 -3.839 6.270 5.071 289 HG LEU 37 HG LEU 37 -4.511 7.480 2.388 290 HD11 LEU 37 1HD1 LEU 37 -5.922 5.369 4.012 291 HD12 LEU 37 2HD1 LEU 37 -5.061 5.114 2.494 292 HD13 LEU 37 3HD1 LEU 37 -6.523 6.100 2.523 293 HD21 LEU 37 3HD2 LEU 37 -5.001 8.975 4.254 294 HD22 LEU 37 1HD2 LEU 37 -5.908 7.688 5.051 295 HD23 LEU 37 2HD2 LEU 37 -6.481 8.355 3.521 296 H GLY 38 H GLY 38 -0.270 7.063 3.664 297 HA2 GLY 38 1HA GLY 38 1.734 6.924 4.960 298 HA3 GLY 38 2HA GLY 38 0.746 6.810 6.411 299 H TRP 39 H TRP 39 -0.429 4.903 3.884 300 HA TRP 39 HA TRP 39 0.422 2.481 5.243 301 HB2 TRP 39 1HB TRP 39 -1.458 2.975 2.921 302 HB3 TRP 39 2HB TRP 39 -1.073 1.370 3.535 303 HD1 TRP 39 HD1 TRP 39 -1.495 4.046 6.175 304 HE1 TRP 39 HE1 TRP 39 -3.718 3.667 7.427 305 HE3 TRP 39 HE3 TRP 39 -3.553 0.487 3.128 306 HZ2 TRP 39 HZ2 TRP 39 -6.010 2.098 7.154 307 HZ3 TRP 39 HZ3 TRP 39 -5.778 -0.400 3.701 308 HH2 TRP 39 HH2 TRP 39 -6.981 0.389 5.675 309 H LEU 40 H LEU 40 0.808 4.128 2.179 310 HA LEU 40 HA LEU 40 2.942 2.238 1.469 311 HB2 LEU 40 1HB LEU 40 1.055 3.823 -0.250 312 HB3 LEU 40 2HB LEU 40 2.567 3.203 -0.886 313 HG LEU 40 HG LEU 40 0.383 1.497 0.318 314 HD11 LEU 40 1HD1 LEU 40 -0.313 2.533 -1.791 315 HD12 LEU 40 2HD1 LEU 40 -0.068 0.795 -1.968 316 HD13 LEU 40 3HD1 LEU 40 1.148 1.923 -2.569 317 HD21 LEU 40 3HD2 LEU 40 2.603 0.533 0.560 318 HD22 LEU 40 1HD2 LEU 40 2.918 0.793 -1.157 319 HD23 LEU 40 2HD2 LEU 40 1.674 -0.352 -0.651 320 H LYS 41 H LYS 41 4.713 3.223 0.201 321 HA LYS 41 HA LYS 41 5.252 6.009 0.870 322 HB2 LYS 41 1HB LYS 41 5.994 4.575 2.795 323 HB3 LYS 41 2HB LYS 41 7.085 3.744 1.693 324 HG2 LYS 41 1HG LYS 41 8.199 5.934 1.268 325 HG3 LYS 41 2HG LYS 41 7.190 6.628 2.545 326 HD2 LYS 41 1HD LYS 41 8.093 4.885 4.093 327 HD3 LYS 41 2HD LYS 41 9.209 4.402 2.815 328 HE2 LYS 41 1HE LYS 41 10.431 5.857 4.199 329 HE3 LYS 41 2HE LYS 41 9.990 6.815 2.786 330 HZ1 LYS 41 3HZ LYS 41 9.594 8.124 4.710 331 HZ2 LYS 41 1HZ LYS 41 8.725 6.877 5.467 332 HZ3 LYS 41 2HZ LYS 41 8.076 7.659 4.111 333 H ARG 42 H ARG 42 6.430 6.978 -0.697 334 HA ARG 42 HA ARG 42 7.406 5.283 -2.862 335 HB2 ARG 42 1HB ARG 42 7.266 8.300 -2.648 336 HB3 ARG 42 2HB ARG 42 7.744 7.396 -4.084 337 HG2 ARG 42 1HG ARG 42 5.503 6.370 -4.145 338 HG3 ARG 42 2HG ARG 42 5.038 7.366 -2.764 339 HD2 ARG 42 1HD ARG 42 5.957 8.394 -5.446 340 HD3 ARG 42 2HD ARG 42 4.286 8.334 -4.888 341 HE ARG 42 HE ARG 42 6.242 9.863 -3.320 342 HH11 ARG 42 1HH1 ARG 42 3.506 9.830 -5.504 343 HH12 ARG 42 2HH1 ARG 42 3.050 11.471 -5.173 344 HH21 ARG 42 1HH2 ARG 42 5.656 12.019 -2.883 345 HH22 ARG 42 2HH2 ARG 42 4.269 12.718 -3.669 346 H SER 43 H SER 43 9.283 4.391 -2.285 347 HA SER 43 HA SER 43 11.363 6.124 -1.154 348 HB2 SER 43 1HB SER 43 10.871 4.086 0.131 349 HB3 SER 43 2HB SER 43 11.199 3.100 -1.291 350 HG SER 43 HG SER 43 13.009 3.151 0.054 351 H SER 44 H SER 44 11.503 3.222 -3.199 352 HA SER 44 HA SER 44 13.506 4.476 -4.869 353 HB2 SER 44 1HB SER 44 13.600 2.055 -4.176 354 HB3 SER 44 2HB SER 44 12.186 1.767 -5.190 355 HG SER 44 HG SER 44 14.553 1.522 -5.995 356 H VAL 45 H VAL 45 12.866 5.829 -6.434 357 HA VAL 45 HA VAL 45 10.328 5.201 -7.787 358 HB VAL 45 HB VAL 45 10.134 7.671 -8.260 359 HG11 VAL 45 1HG1 VAL 45 10.044 6.773 -5.383 360 HG12 VAL 45 2HG1 VAL 45 8.766 6.577 -6.581 361 HG13 VAL 45 3HG1 VAL 45 9.225 8.190 -6.037 362 HG21 VAL 45 3HG2 VAL 45 12.430 8.335 -7.810 363 HG22 VAL 45 1HG2 VAL 45 12.259 7.844 -6.125 364 HG23 VAL 45 2HG2 VAL 45 11.319 9.201 -6.747 365 H ASP 46 H ASP 46 10.549 4.609 -9.782 366 HA ASP 46 HA ASP 46 12.737 5.729 -11.410 367 HB2 ASP 46 1HB ASP 46 11.256 3.097 -11.663 368 HB3 ASP 46 2HB ASP 46 12.325 3.732 -12.909 369 H SER 47 H SER 47 12.193 6.387 -13.565 370 HA SER 47 HA SER 47 9.538 7.408 -13.837 371 HB2 SER 47 1HB SER 47 10.375 7.981 -16.195 372 HB3 SER 47 2HB SER 47 11.219 8.728 -14.839 373 HG SER 47 HG SER 47 12.824 7.952 -16.070 374 H ARG 48 H ARG 48 11.189 4.524 -14.767 375 HA ARG 48 HA ARG 48 9.252 3.606 -16.657 376 HB2 ARG 48 1HB ARG 48 10.326 1.409 -16.395 377 HB3 ARG 48 2HB ARG 48 11.515 2.679 -16.648 378 HG2 ARG 48 1HG ARG 48 11.992 2.715 -14.255 379 HG3 ARG 48 2HG ARG 48 10.790 1.454 -13.994 380 HD2 ARG 48 1HD ARG 48 12.083 -0.107 -15.306 381 HD3 ARG 48 2HD ARG 48 13.241 1.159 -15.723 382 HE ARG 48 HE ARG 48 13.566 1.242 -13.165 383 HH11 ARG 48 1HH1 ARG 48 12.946 -1.666 -15.027 384 HH12 ARG 48 2HH1 ARG 48 13.788 -2.697 -13.906 385 HH21 ARG 48 1HH2 ARG 48 14.661 -0.129 -11.697 386 HH22 ARG 48 2HH2 ARG 48 14.736 -1.841 -12.020 387 H ALA 49 H ALA 49 9.602 3.404 -13.173 388 HA ALA 49 HA ALA 49 6.906 2.609 -12.782 389 HB1 ALA 49 3HB ALA 49 7.283 0.397 -11.821 390 HB2 ALA 49 1HB ALA 49 8.995 0.499 -12.235 391 HB3 ALA 49 2HB ALA 49 7.780 0.440 -13.513 392 H THR 50 H THR 50 6.319 3.431 -10.898 393 HA THR 50 HA THR 50 8.311 4.254 -8.960 394 HB THR 50 HB THR 50 5.297 4.570 -9.010 395 HG1 THR 50 HG1 THR 50 6.678 5.784 -10.544 396 HG21 THR 50 3HG2 THR 50 6.090 4.537 -6.696 397 HG22 THR 50 1HG2 THR 50 5.615 6.171 -7.161 398 HG23 THR 50 2HG2 THR 50 7.323 5.736 -7.087 399 H HIS 51 H HIS 51 8.866 3.118 -7.194 400 HA HIS 51 HA HIS 51 7.455 0.608 -6.680 401 HB2 HIS 51 1HB HIS 51 10.053 1.552 -5.452 402 HB3 HIS 51 2HB HIS 51 9.398 -0.082 -5.432 403 HD1 HIS 51 HD1 HIS 51 10.206 -1.613 -7.238 404 HD2 HIS 51 HD2 HIS 51 10.899 2.391 -8.130 405 HE1 HIS 51 HE1 HIS 51 11.625 -1.609 -9.322 406 HE2 HIS 51 HE2 HIS 51 12.181 0.824 -9.730 407 H TYR 52 H TYR 52 5.941 0.600 -5.170 408 HA TYR 52 HA TYR 52 6.002 2.594 -3.040 409 HB2 TYR 52 1HB TYR 52 3.890 0.561 -3.803 410 HB3 TYR 52 2HB TYR 52 3.726 1.758 -2.516 411 HD1 TYR 52 HD1 TYR 52 3.427 4.108 -3.034 412 HD2 TYR 52 HD2 TYR 52 3.766 1.212 -6.129 413 HE1 TYR 52 HE1 TYR 52 2.572 5.751 -4.664 414 HE2 TYR 52 HE2 TYR 52 2.915 2.838 -7.762 415 HH TYR 52 HH TYR 52 2.633 6.154 -7.098 416 H GLN 53 H GLN 53 6.785 2.152 -1.114 417 HA GLN 53 HA GLN 53 7.386 -0.635 -0.429 418 HB2 GLN 53 1HB GLN 53 9.155 1.212 -0.426 419 HB3 GLN 53 2HB GLN 53 8.336 1.854 0.995 420 HG2 GLN 53 1HG GLN 53 10.159 0.562 1.762 421 HG3 GLN 53 2HG GLN 53 8.692 -0.366 2.092 422 HE21 GLN 53 2HE2 GLN 53 10.093 -0.042 -1.088 423 HE22 GLN 53 1HE2 GLN 53 10.608 -1.685 -1.238 424 H ILE 54 H ILE 54 6.686 -1.553 1.504 425 HA ILE 54 HA ILE 54 4.270 -0.596 2.624 426 HB ILE 54 HB ILE 54 4.629 -2.337 4.380 427 HG12 ILE 54 1HG1 ILE 54 7.082 -3.009 2.739 428 HG13 ILE 54 2HG1 ILE 54 7.115 -2.277 4.339 429 HG21 ILE 54 1HG2 ILE 54 3.389 -2.801 2.355 430 HG22 ILE 54 2HG2 ILE 54 4.329 -4.215 2.832 431 HG23 ILE 54 3HG2 ILE 54 4.883 -3.194 1.504 432 HD11 ILE 54 3HD1 ILE 54 6.003 -4.990 3.670 433 HD12 ILE 54 1HD1 ILE 54 6.053 -4.257 5.271 434 HD13 ILE 54 2HD1 ILE 54 7.555 -4.663 4.440 435 H THR 55 H THR 55 3.906 0.827 4.157 436 HA THR 55 HA THR 55 6.194 1.877 5.664 437 HB THR 55 HB THR 55 3.491 3.181 5.599 438 HG1 THR 55 HG1 THR 55 4.892 2.563 3.427 439 HG21 THR 55 3HG2 THR 55 5.284 4.112 7.026 440 HG22 THR 55 1HG2 THR 55 4.814 5.223 5.739 441 HG23 THR 55 2HG2 THR 55 6.304 4.292 5.597 442 H GLU 56 H GLU 56 5.304 2.834 7.900 443 HA GLU 56 HA GLU 56 4.942 0.664 9.581 444 HB2 GLU 56 1HB GLU 56 4.125 3.504 10.202 445 HB3 GLU 56 2HB GLU 56 4.595 2.259 11.352 446 HG2 GLU 56 1HG GLU 56 6.375 3.542 9.294 447 HG3 GLU 56 2HG GLU 56 6.383 3.860 11.027 448 H ARG 57 H ARG 57 2.510 3.042 8.525 449 HA ARG 57 HA ARG 57 0.359 1.780 9.890 450 HB2 ARG 57 1HB ARG 57 0.364 3.769 7.616 451 HB3 ARG 57 2HB ARG 57 -1.085 3.249 8.472 452 HG2 ARG 57 1HG ARG 57 -0.187 4.167 10.550 453 HG3 ARG 57 2HG ARG 57 1.268 4.681 9.694 454 HD2 ARG 57 1HD ARG 57 -0.045 6.158 8.289 455 HD3 ARG 57 2HD ARG 57 -1.535 5.593 9.050 456 HE ARG 57 HE ARG 57 0.105 6.565 11.076 457 HH11 ARG 57 1HH1 ARG 57 -1.491 7.830 8.218 458 HH12 ARG 57 2HH1 ARG 57 -1.710 9.418 8.898 459 HH21 ARG 57 1HH2 ARG 57 -0.226 8.629 11.980 460 HH22 ARG 57 2HH2 ARG 57 -1.013 9.863 11.043 461 H GLY 58 H GLY 58 1.828 1.338 6.774 462 HA2 GLY 58 1HA GLY 58 -0.334 -0.144 5.619 463 HA3 GLY 58 2HA GLY 58 1.321 -0.073 5.017 464 H THR 59 H THR 59 2.477 -0.948 7.541 465 HA THR 59 HA THR 59 2.249 -3.762 7.219 466 HB THR 59 HB THR 59 3.582 -2.183 9.428 467 HG1 THR 59 HG1 THR 59 5.120 -1.863 8.004 468 HG21 THR 59 3HG2 THR 59 4.925 -4.217 9.764 469 HG22 THR 59 1HG2 THR 59 3.947 -5.054 8.558 470 HG23 THR 59 2HG2 THR 59 3.214 -4.514 10.068 471 H SER 60 H SER 60 1.145 -1.491 9.719 472 HA SER 60 HA SER 60 -0.053 -3.468 11.346 473 HB2 SER 60 1HB SER 60 -1.271 -1.435 12.312 474 HB3 SER 60 2HB SER 60 0.492 -1.417 12.381 475 HG SER 60 HG SER 60 0.264 0.451 11.443 476 H ALA 61 H ALA 61 -1.199 -1.549 8.636 477 HA ALA 61 HA ALA 61 -3.943 -2.191 8.851 478 HB1 ALA 61 3HB ALA 61 -3.098 -0.354 7.459 479 HB2 ALA 61 1HB ALA 61 -4.117 -1.462 6.538 480 HB3 ALA 61 2HB ALA 61 -2.361 -1.529 6.368 481 H ALA 62 H ALA 62 -1.203 -3.842 7.427 482 HA ALA 62 HA ALA 62 -2.691 -5.815 6.021 483 HB1 ALA 62 3HB ALA 62 -0.579 -7.008 5.838 484 HB2 ALA 62 1HB ALA 62 0.145 -5.940 7.040 485 HB3 ALA 62 2HB ALA 62 -0.361 -5.296 5.478 486 H LEU 63 H LEU 63 -1.745 -5.393 9.302 487 HA LEU 63 HA LEU 63 -2.218 -8.155 10.039 488 HB2 LEU 63 1HB LEU 63 -0.465 -6.746 11.121 489 HB3 LEU 63 2HB LEU 63 -1.737 -5.734 11.784 490 HG LEU 63 HG LEU 63 -2.585 -7.676 13.063 491 HD11 LEU 63 1HD1 LEU 63 -1.787 -9.451 11.591 492 HD12 LEU 63 2HD1 LEU 63 -1.218 -9.685 13.244 493 HD13 LEU 63 3HD1 LEU 63 -0.121 -9.059 12.013 494 HD21 LEU 63 3HD2 LEU 63 0.334 -7.053 13.503 495 HD22 LEU 63 1HD2 LEU 63 -0.775 -7.728 14.698 496 HD23 LEU 63 2HD2 LEU 63 -1.029 -6.094 14.085 497 H ARG 64 H ARG 64 -4.094 -5.487 9.384 498 HA ARG 64 HA ARG 64 -6.199 -6.236 11.274 499 HB2 ARG 64 1HB ARG 64 -5.739 -3.801 9.580 500 HB3 ARG 64 2HB ARG 64 -7.331 -4.153 10.236 501 HG2 ARG 64 1HG ARG 64 -6.316 -4.210 12.502 502 HG3 ARG 64 2HG ARG 64 -4.796 -3.680 11.781 503 HD2 ARG 64 1HD ARG 64 -5.715 -1.604 11.133 504 HD3 ARG 64 2HD ARG 64 -7.364 -2.155 11.436 505 HE ARG 64 HE ARG 64 -5.591 -2.114 13.740 506 HH11 ARG 64 1HH1 ARG 64 -7.950 -0.325 11.862 507 HH12 ARG 64 2HH1 ARG 64 -8.511 0.601 13.215 508 HH21 ARG 64 1HH2 ARG 64 -6.330 -0.907 15.518 509 HH22 ARG 64 2HH2 ARG 64 -7.569 0.290 15.295 510 H SER 65 H SER 65 -7.142 -8.004 10.478 511 HA SER 65 HA SER 65 -8.578 -7.698 7.949 512 HB2 SER 65 1HB SER 65 -7.064 -10.206 8.723 513 HB3 SER 65 2HB SER 65 -8.011 -9.965 7.254 514 HG SER 65 HG SER 65 -5.455 -9.414 7.649 Start of MODEL 19 1 H1 MET 1 1H MET 1 -13.577 8.269 4.603 2 H2 MET 1 2H MET 1 -13.331 6.612 4.874 3 H3 MET 1 3H MET 1 -13.664 7.176 3.311 4 HA MET 1 HA MET 1 -11.600 8.389 3.261 5 HB2 MET 1 1HB MET 1 -11.162 7.101 5.964 6 HB3 MET 1 2HB MET 1 -9.927 7.964 5.048 7 HG2 MET 1 1HG MET 1 -12.486 9.138 6.118 8 HG3 MET 1 2HG MET 1 -10.873 9.354 6.804 9 HE1 MET 1 3HE MET 1 -11.229 12.004 6.751 10 HE2 MET 1 1HE MET 1 -12.837 11.757 6.073 11 HE3 MET 1 2HE MET 1 -11.721 12.885 5.306 12 H ALA 2 H ALA 2 -11.096 5.392 5.094 13 HA ALA 2 HA ALA 2 -10.228 4.121 2.577 14 HB1 ALA 2 3HB ALA 2 -8.737 2.721 3.914 15 HB2 ALA 2 1HB ALA 2 -9.289 3.525 5.385 16 HB3 ALA 2 2HB ALA 2 -8.391 4.433 4.168 17 H THR 3 H THR 3 -10.968 2.098 2.085 18 HA THR 3 HA THR 3 -13.001 0.978 3.905 19 HB THR 3 HB THR 3 -14.067 1.940 1.906 20 HG1 THR 3 HG1 THR 3 -15.407 0.306 1.957 21 HG21 THR 3 3HG2 THR 3 -12.391 -0.027 0.346 22 HG22 THR 3 1HG2 THR 3 -12.185 1.723 0.350 23 HG23 THR 3 2HG2 THR 3 -13.658 1.011 -0.312 24 H ALA 4 H ALA 4 -13.436 -1.441 2.991 25 HA ALA 4 HA ALA 4 -11.224 -2.937 3.811 26 HB1 ALA 4 3HB ALA 4 -12.471 -4.889 3.063 27 HB2 ALA 4 1HB ALA 4 -13.559 -3.853 2.139 28 HB3 ALA 4 2HB ALA 4 -13.531 -3.754 3.901 29 H ASP 5 H ASP 5 -12.193 -1.846 0.651 30 HA ASP 5 HA ASP 5 -10.576 -3.528 -0.920 31 HB2 ASP 5 1HB ASP 5 -11.562 -0.721 -1.463 32 HB3 ASP 5 2HB ASP 5 -10.797 -1.759 -2.666 33 H ASP 6 H ASP 6 -9.889 -0.533 0.781 34 HA ASP 6 HA ASP 6 -7.333 -0.079 -0.391 35 HB2 ASP 6 1HB ASP 6 -8.441 0.827 2.282 36 HB3 ASP 6 2HB ASP 6 -6.941 1.411 1.564 37 H PHE 7 H PHE 7 -8.450 -1.667 2.555 38 HA PHE 7 HA PHE 7 -5.969 -2.398 3.582 39 HB2 PHE 7 1HB PHE 7 -8.700 -3.639 3.850 40 HB3 PHE 7 2HB PHE 7 -7.294 -4.236 4.727 41 HD1 PHE 7 HD2 PHE 7 -6.247 -2.875 6.464 42 HD2 PHE 7 HD1 PHE 7 -9.774 -1.598 4.460 43 HE1 PHE 7 HE2 PHE 7 -6.641 -1.209 8.230 44 HE2 PHE 7 HE1 PHE 7 -10.177 0.070 6.220 45 HZ PHE 7 HZ PHE 7 -8.610 0.266 8.109 46 H LYS 8 H LYS 8 -8.102 -4.030 1.306 47 HA LYS 8 HA LYS 8 -6.652 -6.416 1.025 48 HB2 LYS 8 1HB LYS 8 -8.914 -6.191 0.171 49 HB3 LYS 8 2HB LYS 8 -8.400 -4.941 -0.951 50 HG2 LYS 8 1HG LYS 8 -7.012 -6.580 -2.133 51 HG3 LYS 8 2HG LYS 8 -7.562 -7.832 -1.013 52 HD2 LYS 8 1HD LYS 8 -9.855 -7.514 -1.752 53 HD3 LYS 8 2HD LYS 8 -9.347 -6.209 -2.827 54 HE2 LYS 8 1HE LYS 8 -8.430 -9.076 -3.017 55 HE3 LYS 8 2HE LYS 8 -9.694 -8.347 -4.008 56 HZ1 LYS 8 3HZ LYS 8 -8.000 -6.734 -4.797 57 HZ2 LYS 8 1HZ LYS 8 -7.664 -8.339 -5.233 58 HZ3 LYS 8 2HZ LYS 8 -6.812 -7.615 -3.961 59 H LEU 9 H LEU 9 -6.433 -3.324 -0.642 60 HA LEU 9 HA LEU 9 -4.513 -4.131 -2.557 61 HB2 LEU 9 1HB LEU 9 -6.091 -2.136 -2.646 62 HB3 LEU 9 2HB LEU 9 -4.981 -1.323 -1.554 63 HG LEU 9 HG LEU 9 -4.080 -2.383 -4.232 64 HD11 LEU 9 1HD1 LEU 9 -5.211 0.341 -3.601 65 HD12 LEU 9 2HD1 LEU 9 -5.928 -0.874 -4.660 66 HD13 LEU 9 3HD1 LEU 9 -4.401 -0.108 -5.104 67 HD21 LEU 9 3HD2 LEU 9 -3.011 -0.221 -2.418 68 HD22 LEU 9 1HD2 LEU 9 -2.336 -0.683 -3.980 69 HD23 LEU 9 2HD2 LEU 9 -2.318 -1.828 -2.638 70 H ILE 10 H ILE 10 -4.244 -2.501 0.601 71 HA ILE 10 HA ILE 10 -1.433 -2.128 0.367 72 HB ILE 10 HB ILE 10 -2.790 -0.689 1.823 73 HG12 ILE 10 1HG1 ILE 10 -1.245 -0.682 3.771 74 HG13 ILE 10 2HG1 ILE 10 -0.620 -2.241 3.244 75 HG21 ILE 10 1HG2 ILE 10 -3.026 -3.112 3.596 76 HG22 ILE 10 2HG2 ILE 10 -4.338 -2.332 2.710 77 HG23 ILE 10 3HG2 ILE 10 -3.526 -1.473 4.019 78 HD11 ILE 10 3HD1 ILE 10 -0.464 0.330 1.693 79 HD12 ILE 10 1HD1 ILE 10 0.171 -1.232 1.177 80 HD13 ILE 10 2HD1 ILE 10 0.852 -0.429 2.592 81 H ARG 11 H ARG 11 -3.428 -4.694 1.743 82 HA ARG 11 HA ARG 11 -1.252 -6.091 2.941 83 HB2 ARG 11 1HB ARG 11 -3.954 -7.060 2.003 84 HB3 ARG 11 2HB ARG 11 -2.786 -8.086 2.825 85 HG2 ARG 11 1HG ARG 11 -3.004 -5.856 4.455 86 HG3 ARG 11 2HG ARG 11 -4.653 -6.171 3.909 87 HD2 ARG 11 1HD ARG 11 -2.789 -8.143 5.224 88 HD3 ARG 11 2HD ARG 11 -4.192 -7.379 5.966 89 HE ARG 11 HE ARG 11 -4.493 -9.124 3.610 90 HH11 ARG 11 1HH1 ARG 11 -5.184 -8.353 6.954 91 HH12 ARG 11 2HH1 ARG 11 -6.438 -9.540 7.113 92 HH21 ARG 11 1HH2 ARG 11 -6.137 -10.694 3.797 93 HH22 ARG 11 2HH2 ARG 11 -6.988 -10.879 5.305 94 H ASP 12 H ASP 12 -2.665 -5.987 -0.233 95 HA ASP 12 HA ASP 12 -1.456 -8.220 -1.397 96 HB2 ASP 12 1HB ASP 12 -3.270 -6.823 -2.401 97 HB3 ASP 12 2HB ASP 12 -2.073 -5.567 -2.721 98 H ILE 13 H ILE 13 -0.267 -4.977 -0.796 99 HA ILE 13 HA ILE 13 2.131 -5.057 -2.220 100 HB ILE 13 HB ILE 13 1.840 -3.705 0.456 101 HG12 ILE 13 1HG1 ILE 13 -0.156 -3.162 -0.844 102 HG13 ILE 13 2HG1 ILE 13 0.896 -1.760 -0.720 103 HG21 ILE 13 1HG2 ILE 13 3.390 -2.981 -2.027 104 HG22 ILE 13 2HG2 ILE 13 4.058 -3.665 -0.545 105 HG23 ILE 13 3HG2 ILE 13 3.349 -2.050 -0.529 106 HD11 ILE 13 3HD1 ILE 13 1.711 -2.197 -2.988 107 HD12 ILE 13 1HD1 ILE 13 -0.033 -1.938 -2.935 108 HD13 ILE 13 2HD1 ILE 13 0.611 -3.570 -3.101 109 H HIS 14 H HIS 14 1.267 -6.255 0.969 110 HA HIS 14 HA HIS 14 3.924 -6.976 1.744 111 HB2 HIS 14 1HB HIS 14 1.219 -7.836 2.797 112 HB3 HIS 14 2HB HIS 14 2.752 -8.285 3.535 113 HD1 HIS 14 HD1 HIS 14 3.825 -6.579 5.098 114 HD2 HIS 14 HD2 HIS 14 0.510 -5.137 3.049 115 HE1 HIS 14 HE1 HIS 14 3.310 -4.344 6.129 116 HE2 HIS 14 HE2 HIS 14 1.160 -3.612 5.033 117 H SER 15 H SER 15 1.123 -8.655 0.433 118 HA SER 15 HA SER 15 2.088 -11.266 0.573 119 HB2 SER 15 1HB SER 15 0.161 -10.121 -1.459 120 HB3 SER 15 2HB SER 15 0.299 -11.812 -0.975 121 HG SER 15 HG SER 15 -1.300 -11.119 0.287 122 H THR 16 H THR 16 2.618 -8.763 -1.837 123 HA THR 16 HA THR 16 3.748 -10.625 -3.733 124 HB THR 16 HB THR 16 2.497 -8.595 -4.465 125 HG1 THR 16 HG1 THR 16 3.889 -9.548 -5.950 126 HG21 THR 16 3HG2 THR 16 3.342 -7.010 -2.815 127 HG22 THR 16 1HG2 THR 16 3.629 -6.429 -4.457 128 HG23 THR 16 2HG2 THR 16 4.955 -7.123 -3.522 129 H GLY 17 H GLY 17 4.913 -9.438 -0.911 130 HA2 GLY 17 1HA GLY 17 7.233 -10.414 -0.580 131 HA3 GLY 17 2HA GLY 17 7.689 -9.368 -1.920 132 H GLY 18 H GLY 18 5.756 -7.298 -0.811 133 HA2 GLY 18 1HA GLY 18 5.857 -6.054 1.356 134 HA3 GLY 18 2HA GLY 18 7.599 -6.309 1.279 135 H ARG 19 H ARG 19 7.152 -5.906 -1.781 136 HA ARG 19 HA ARG 19 6.806 -2.994 -1.744 137 HB2 ARG 19 1HB ARG 19 8.732 -2.614 -3.081 138 HB3 ARG 19 2HB ARG 19 9.255 -3.663 -1.767 139 HG2 ARG 19 1HG ARG 19 9.183 -5.586 -3.230 140 HG3 ARG 19 2HG ARG 19 8.557 -4.592 -4.546 141 HD2 ARG 19 1HD ARG 19 10.688 -3.191 -4.218 142 HD3 ARG 19 2HD ARG 19 11.287 -4.577 -3.304 143 HE ARG 19 HE ARG 19 10.235 -5.255 -5.904 144 HH11 ARG 19 1HH1 ARG 19 13.090 -4.346 -4.086 145 HH12 ARG 19 2HH1 ARG 19 14.196 -4.866 -5.323 146 HH21 ARG 19 1HH2 ARG 19 11.667 -5.914 -7.525 147 HH22 ARG 19 2HH2 ARG 19 13.383 -5.749 -7.293 148 H ARG 20 H ARG 20 5.903 -2.127 -3.594 149 HA ARG 20 HA ARG 20 5.164 -4.002 -5.738 150 HB2 ARG 20 1HB ARG 20 3.181 -3.830 -4.390 151 HB3 ARG 20 2HB ARG 20 3.337 -2.079 -4.286 152 HG2 ARG 20 1HG ARG 20 1.591 -2.538 -5.814 153 HG3 ARG 20 2HG ARG 20 2.972 -1.987 -6.760 154 HD2 ARG 20 1HD ARG 20 3.521 -4.430 -7.138 155 HD3 ARG 20 2HD ARG 20 1.939 -4.795 -6.441 156 HE ARG 20 HE ARG 20 1.362 -2.980 -8.368 157 HH11 ARG 20 1HH1 ARG 20 3.070 -6.032 -8.366 158 HH12 ARG 20 2HH1 ARG 20 2.728 -6.364 -10.031 159 HH21 ARG 20 1HH2 ARG 20 0.890 -3.415 -10.544 160 HH22 ARG 20 2HH2 ARG 20 1.486 -4.880 -11.283 161 H GLN 21 H GLN 21 5.837 -3.251 -7.637 162 HA GLN 21 HA GLN 21 6.409 -0.382 -7.843 163 HB2 GLN 21 1HB GLN 21 7.712 -1.074 -9.904 164 HB3 GLN 21 2HB GLN 21 8.347 -1.624 -8.357 165 HG2 GLN 21 1HG GLN 21 7.236 -3.822 -8.775 166 HG3 GLN 21 2HG GLN 21 6.836 -3.242 -10.394 167 HE21 GLN 21 2HE2 GLN 21 8.468 -2.993 -11.912 168 HE22 GLN 21 1HE2 GLN 21 10.051 -3.675 -11.691 169 H VAL 22 H VAL 22 4.880 0.788 -8.674 170 HA VAL 22 HA VAL 22 2.976 -0.407 -10.545 171 HB VAL 22 HB VAL 22 2.863 2.313 -9.229 172 HG11 VAL 22 1HG1 VAL 22 0.724 0.668 -10.573 173 HG12 VAL 22 2HG1 VAL 22 1.516 2.088 -11.258 174 HG13 VAL 22 3HG1 VAL 22 0.505 2.248 -9.821 175 HG21 VAL 22 3HG2 VAL 22 1.291 1.320 -7.644 176 HG22 VAL 22 1HG2 VAL 22 2.875 0.551 -7.539 177 HG23 VAL 22 2HG2 VAL 22 1.550 -0.266 -8.372 178 H PHE 23 H PHE 23 2.849 0.181 -12.643 179 HA PHE 23 HA PHE 23 5.160 1.514 -13.703 180 HB2 PHE 23 1HB PHE 23 2.758 0.372 -15.142 181 HB3 PHE 23 2HB PHE 23 4.279 0.852 -15.890 182 HD1 PHE 23 HD2 PHE 23 6.355 -0.407 -15.366 183 HD2 PHE 23 HD1 PHE 23 2.517 -1.728 -14.085 184 HE1 PHE 23 HE2 PHE 23 7.267 -2.656 -14.958 185 HE2 PHE 23 HE1 PHE 23 3.424 -3.977 -13.671 186 HZ PHE 23 HZ PHE 23 5.803 -4.443 -14.109 187 H GLY 24 H GLY 24 2.449 2.789 -12.463 188 HA2 GLY 24 1HA GLY 24 2.187 5.164 -12.453 189 HA3 GLY 24 2HA GLY 24 2.807 5.203 -14.100 190 H SER 25 H SER 25 0.872 6.609 -14.323 191 HA SER 25 HA SER 25 -1.127 6.969 -15.312 192 HB2 SER 25 1HB SER 25 -1.132 3.972 -15.743 193 HB3 SER 25 2HB SER 25 -2.230 5.118 -16.514 194 HG SER 25 HG SER 25 0.244 6.002 -16.898 195 H ARG 26 H ARG 26 -3.447 5.174 -15.230 196 HA ARG 26 HA ARG 26 -4.592 6.323 -12.943 197 HB2 ARG 26 1HB ARG 26 -5.796 5.673 -15.042 198 HB3 ARG 26 2HB ARG 26 -5.697 3.997 -14.520 199 HG2 ARG 26 1HG ARG 26 -7.876 5.020 -14.032 200 HG3 ARG 26 2HG ARG 26 -7.040 4.480 -12.573 201 HD2 ARG 26 1HD ARG 26 -8.104 6.714 -12.342 202 HD3 ARG 26 2HD ARG 26 -6.364 6.728 -12.060 203 HE ARG 26 HE ARG 26 -7.352 7.426 -14.732 204 HH11 ARG 26 1HH1 ARG 26 -5.938 8.442 -11.694 205 HH12 ARG 26 2HH1 ARG 26 -5.382 9.971 -12.305 206 HH21 ARG 26 1HH2 ARG 26 -6.631 9.430 -15.543 207 HH22 ARG 26 2HH2 ARG 26 -5.791 10.538 -14.500 208 H GLU 27 H GLU 27 -3.298 3.079 -13.483 209 HA GLU 27 HA GLU 27 -4.418 1.813 -11.264 210 HB2 GLU 27 1HB GLU 27 -2.621 0.169 -11.493 211 HB3 GLU 27 2HB GLU 27 -3.307 0.584 -13.055 212 HG2 GLU 27 1HG GLU 27 -1.419 2.028 -13.529 213 HG3 GLU 27 2HG GLU 27 -0.742 1.686 -11.935 214 H GLN 28 H GLN 28 -1.792 4.077 -11.455 215 HA GLN 28 HA GLN 28 -0.664 3.323 -8.917 216 HB2 GLN 28 1HB GLN 28 0.790 4.241 -10.646 217 HB3 GLN 28 2HB GLN 28 -0.132 5.744 -10.653 218 HG2 GLN 28 1HG GLN 28 0.637 6.350 -8.521 219 HG3 GLN 28 2HG GLN 28 1.234 4.728 -8.187 220 HE21 GLN 28 2HE2 GLN 28 2.520 4.367 -10.715 221 HE22 GLN 28 1HE2 GLN 28 3.931 5.374 -10.713 222 H LYS 29 H LYS 29 -3.245 5.323 -9.934 223 HA LYS 29 HA LYS 29 -3.150 7.449 -8.166 224 HB2 LYS 29 1HB LYS 29 -4.765 7.220 -10.043 225 HB3 LYS 29 2HB LYS 29 -5.670 6.058 -9.085 226 HG2 LYS 29 1HG LYS 29 -6.128 7.760 -7.411 227 HG3 LYS 29 2HG LYS 29 -5.172 8.931 -8.321 228 HD2 LYS 29 1HD LYS 29 -7.435 9.374 -8.851 229 HD3 LYS 29 2HD LYS 29 -6.758 8.541 -10.250 230 HE2 LYS 29 1HE LYS 29 -8.914 7.612 -9.830 231 HE3 LYS 29 2HE LYS 29 -7.716 6.415 -9.344 232 HZ1 LYS 29 3HZ LYS 29 -8.036 7.025 -7.053 233 HZ2 LYS 29 1HZ LYS 29 -9.543 6.652 -7.737 234 HZ3 LYS 29 2HZ LYS 29 -9.104 8.270 -7.483 235 HA PRO 30 HA PRO 30 -5.692 4.911 -4.872 236 HB2 PRO 30 1HB PRO 30 -5.343 2.191 -5.001 237 HB3 PRO 30 2HB PRO 30 -6.752 3.047 -5.642 238 HG2 PRO 30 1HG PRO 30 -4.324 2.049 -7.074 239 HG3 PRO 30 2HG PRO 30 -6.023 2.011 -7.583 240 HD2 PRO 30 1HD PRO 30 -4.293 3.825 -8.550 241 HD3 PRO 30 2HD PRO 30 -6.001 4.223 -8.258 242 H PHE 31 H PHE 31 -2.657 3.672 -6.154 243 HA PHE 31 HA PHE 31 -1.562 2.900 -3.647 244 HB2 PHE 31 1HB PHE 31 -0.303 3.501 -6.327 245 HB3 PHE 31 2HB PHE 31 0.620 2.955 -4.930 246 HD1 PHE 31 HD2 PHE 31 -2.100 1.998 -7.254 247 HD2 PHE 31 HD1 PHE 31 0.741 0.685 -4.373 248 HE1 PHE 31 HE2 PHE 31 -2.579 -0.338 -7.853 249 HE2 PHE 31 HE1 PHE 31 0.266 -1.653 -4.968 250 HZ PHE 31 HZ PHE 31 -1.396 -2.168 -6.709 251 H GLU 32 H GLU 32 -1.455 5.812 -5.618 252 HA GLU 32 HA GLU 32 0.384 7.259 -4.026 253 HB2 GLU 32 1HB GLU 32 -1.807 8.245 -5.863 254 HB3 GLU 32 2HB GLU 32 -0.568 9.268 -5.154 255 HG2 GLU 32 1HG GLU 32 1.155 7.976 -6.318 256 HG3 GLU 32 2HG GLU 32 -0.101 6.975 -7.046 257 H ASP 33 H ASP 33 -3.035 6.663 -3.783 258 HA ASP 33 HA ASP 33 -3.611 8.707 -1.891 259 HB2 ASP 33 1HB ASP 33 -5.371 7.616 -3.238 260 HB3 ASP 33 2HB ASP 33 -5.074 6.101 -2.382 261 H LEU 34 H LEU 34 -2.643 5.326 -1.641 262 HA LEU 34 HA LEU 34 -2.891 5.134 1.162 263 HB2 LEU 34 1HB LEU 34 -1.092 3.605 -0.714 264 HB3 LEU 34 2HB LEU 34 -1.413 3.179 0.959 265 HG LEU 34 HG LEU 34 -3.390 3.169 -1.321 266 HD11 LEU 34 1HD1 LEU 34 -2.260 0.958 0.384 267 HD12 LEU 34 2HD1 LEU 34 -1.865 1.277 -1.304 268 HD13 LEU 34 3HD1 LEU 34 -3.495 0.772 -0.860 269 HD21 LEU 34 3HD2 LEU 34 -5.014 2.334 0.290 270 HD22 LEU 34 1HD2 LEU 34 -4.461 3.948 0.735 271 HD23 LEU 34 2HD2 LEU 34 -3.843 2.536 1.593 272 H VAL 35 H VAL 35 -0.400 6.395 -0.929 273 HA VAL 35 HA VAL 35 1.688 6.606 0.943 274 HB VAL 35 HB VAL 35 1.046 8.510 -1.317 275 HG11 VAL 35 1HG1 VAL 35 2.631 9.442 0.295 276 HG12 VAL 35 2HG1 VAL 35 3.415 9.090 -1.245 277 HG13 VAL 35 3HG1 VAL 35 3.646 8.010 0.129 278 HG21 VAL 35 3HG2 VAL 35 1.259 6.221 -2.109 279 HG22 VAL 35 1HG2 VAL 35 2.807 6.067 -1.279 280 HG23 VAL 35 2HG2 VAL 35 2.636 7.194 -2.625 281 H ASP 36 H ASP 36 -1.039 8.712 0.195 282 HA ASP 36 HA ASP 36 -0.304 10.797 1.976 283 HB2 ASP 36 1HB ASP 36 -1.884 11.106 0.094 284 HB3 ASP 36 2HB ASP 36 -3.053 10.084 0.930 285 H LEU 37 H LEU 37 -2.257 7.898 2.273 286 HA LEU 37 HA LEU 37 -3.133 8.363 4.937 287 HB2 LEU 37 1HB LEU 37 -2.844 5.817 3.340 288 HB3 LEU 37 2HB LEU 37 -3.605 5.910 4.918 289 HG LEU 37 HG LEU 37 -4.575 7.317 2.431 290 HD11 LEU 37 1HD1 LEU 37 -4.875 4.897 2.316 291 HD12 LEU 37 2HD1 LEU 37 -6.421 5.723 2.511 292 HD13 LEU 37 3HD1 LEU 37 -5.672 4.917 3.888 293 HD21 LEU 37 3HD2 LEU 37 -5.808 7.090 5.173 294 HD22 LEU 37 1HD2 LEU 37 -6.535 7.867 3.767 295 HD23 LEU 37 2HD2 LEU 37 -5.074 8.541 4.490 296 H GLY 38 H GLY 38 -0.175 7.352 3.550 297 HA2 GLY 38 1HA GLY 38 1.865 7.190 4.681 298 HA3 GLY 38 2HA GLY 38 0.986 7.055 6.202 299 H TRP 39 H TRP 39 -0.208 5.030 3.754 300 HA TRP 39 HA TRP 39 0.724 2.694 5.210 301 HB2 TRP 39 1HB TRP 39 -1.176 3.010 2.872 302 HB3 TRP 39 2HB TRP 39 -0.780 1.462 3.616 303 HD1 TRP 39 HD1 TRP 39 -1.047 3.993 6.285 304 HE1 TRP 39 HE1 TRP 39 -3.341 3.847 7.453 305 HE3 TRP 39 HE3 TRP 39 -3.496 1.006 2.925 306 HZ2 TRP 39 HZ2 TRP 39 -5.822 2.640 7.016 307 HZ3 TRP 39 HZ3 TRP 39 -5.839 0.405 3.383 308 HH2 TRP 39 HH2 TRP 39 -6.978 1.206 5.388 309 H LEU 40 H LEU 40 1.155 4.259 2.123 310 HA LEU 40 HA LEU 40 3.272 2.316 1.478 311 HB2 LEU 40 1HB LEU 40 1.428 3.876 -0.313 312 HB3 LEU 40 2HB LEU 40 2.939 3.214 -0.905 313 HG LEU 40 HG LEU 40 0.655 1.618 0.257 314 HD11 LEU 40 1HD1 LEU 40 1.672 1.856 -2.573 315 HD12 LEU 40 2HD1 LEU 40 0.166 2.534 -1.955 316 HD13 LEU 40 3HD1 LEU 40 0.384 0.785 -2.020 317 HD21 LEU 40 3HD2 LEU 40 2.818 0.607 0.747 318 HD22 LEU 40 1HD2 LEU 40 3.274 0.730 -0.951 319 HD23 LEU 40 2HD2 LEU 40 1.952 -0.331 -0.467 320 H LYS 41 H LYS 41 5.233 3.095 0.771 321 HA LYS 41 HA LYS 41 5.575 6.007 0.705 322 HB2 LYS 41 1HB LYS 41 6.397 5.268 2.873 323 HB3 LYS 41 2HB LYS 41 7.391 4.035 2.101 324 HG2 LYS 41 1HG LYS 41 8.724 5.750 1.023 325 HG3 LYS 41 2HG LYS 41 7.701 7.004 1.729 326 HD2 LYS 41 1HD LYS 41 8.399 6.359 3.955 327 HD3 LYS 41 2HD LYS 41 9.355 5.027 3.294 328 HE2 LYS 41 1HE LYS 41 10.742 6.985 3.840 329 HE3 LYS 41 2HE LYS 41 10.778 6.591 2.122 330 HZ1 LYS 41 3HZ LYS 41 9.156 8.746 3.377 331 HZ2 LYS 41 1HZ LYS 41 9.157 8.351 1.726 332 HZ3 LYS 41 2HZ LYS 41 10.558 8.964 2.446 333 H ARG 42 H ARG 42 6.812 6.751 -0.908 334 HA ARG 42 HA ARG 42 7.671 4.905 -2.938 335 HB2 ARG 42 1HB ARG 42 7.960 7.907 -2.707 336 HB3 ARG 42 2HB ARG 42 8.423 6.966 -4.122 337 HG2 ARG 42 1HG ARG 42 6.073 6.215 -4.327 338 HG3 ARG 42 2HG ARG 42 5.653 7.290 -2.989 339 HD2 ARG 42 1HD ARG 42 6.200 9.216 -4.227 340 HD3 ARG 42 2HD ARG 42 7.042 8.282 -5.462 341 HE ARG 42 HE ARG 42 4.587 7.330 -5.750 342 HH11 ARG 42 1HH1 ARG 42 5.593 10.635 -5.234 343 HH12 ARG 42 2HH1 ARG 42 4.337 11.310 -6.232 344 HH21 ARG 42 1HH2 ARG 42 2.946 8.204 -7.064 345 HH22 ARG 42 2HH2 ARG 42 2.820 9.924 -7.256 346 H SER 43 H SER 43 9.401 3.721 -2.418 347 HA SER 43 HA SER 43 11.551 4.875 -0.859 348 HB2 SER 43 1HB SER 43 12.458 2.484 -1.064 349 HB3 SER 43 2HB SER 43 10.945 2.692 -0.179 350 HG SER 43 HG SER 43 10.611 1.026 -1.578 351 H SER 44 H SER 44 11.592 2.824 -3.763 352 HA SER 44 HA SER 44 14.162 3.745 -4.538 353 HB2 SER 44 1HB SER 44 12.172 2.314 -6.299 354 HB3 SER 44 2HB SER 44 13.933 2.270 -6.397 355 HG SER 44 HG SER 44 13.617 1.428 -4.060 356 H VAL 45 H VAL 45 10.890 4.552 -5.520 357 HA VAL 45 HA VAL 45 10.004 6.067 -6.961 358 HB VAL 45 HB VAL 45 12.450 7.694 -6.246 359 HG11 VAL 45 1HG1 VAL 45 10.977 9.625 -6.714 360 HG12 VAL 45 2HG1 VAL 45 9.739 8.511 -7.292 361 HG13 VAL 45 3HG1 VAL 45 11.280 8.635 -8.141 362 HG21 VAL 45 3HG2 VAL 45 11.321 6.956 -4.243 363 HG22 VAL 45 1HG2 VAL 45 9.765 7.479 -4.891 364 HG23 VAL 45 2HG2 VAL 45 11.005 8.673 -4.500 365 H ASP 46 H ASP 46 10.254 4.769 -8.798 366 HA ASP 46 HA ASP 46 12.467 5.548 -10.565 367 HB2 ASP 46 1HB ASP 46 12.561 3.184 -10.048 368 HB3 ASP 46 2HB ASP 46 10.864 2.984 -10.483 369 H SER 47 H SER 47 12.001 6.105 -12.686 370 HA SER 47 HA SER 47 9.458 7.420 -12.914 371 HB2 SER 47 1HB SER 47 11.818 7.347 -14.802 372 HB3 SER 47 2HB SER 47 10.430 8.428 -14.936 373 HG SER 47 HG SER 47 12.121 8.311 -12.648 374 H ARG 48 H ARG 48 10.634 4.384 -13.882 375 HA ARG 48 HA ARG 48 8.679 4.199 -16.056 376 HB2 ARG 48 1HB ARG 48 10.715 2.163 -15.129 377 HB3 ARG 48 2HB ARG 48 9.662 2.000 -16.528 378 HG2 ARG 48 1HG ARG 48 10.756 4.110 -17.415 379 HG3 ARG 48 2HG ARG 48 11.958 3.892 -16.140 380 HD2 ARG 48 1HD ARG 48 12.401 1.619 -17.017 381 HD3 ARG 48 2HD ARG 48 11.285 1.946 -18.342 382 HE ARG 48 HE ARG 48 13.968 3.003 -17.996 383 HH11 ARG 48 1HH1 ARG 48 10.927 3.248 -19.722 384 HH12 ARG 48 2HH1 ARG 48 11.643 4.003 -21.121 385 HH21 ARG 48 1HH2 ARG 48 14.899 4.006 -19.804 386 HH22 ARG 48 2HH2 ARG 48 13.895 4.446 -21.156 387 H ALA 49 H ALA 49 9.626 2.528 -13.087 388 HA ALA 49 HA ALA 49 6.773 2.033 -12.574 389 HB1 ALA 49 3HB ALA 49 7.272 -0.185 -11.690 390 HB2 ALA 49 1HB ALA 49 8.973 0.016 -12.112 391 HB3 ALA 49 2HB ALA 49 7.753 -0.069 -13.383 392 H THR 50 H THR 50 6.277 3.098 -10.791 393 HA THR 50 HA THR 50 8.307 4.047 -8.993 394 HB THR 50 HB THR 50 5.304 4.218 -8.666 395 HG1 THR 50 HG1 THR 50 7.076 5.506 -10.396 396 HG21 THR 50 3HG2 THR 50 5.841 6.236 -7.377 397 HG22 THR 50 1HG2 THR 50 7.562 5.944 -7.633 398 HG23 THR 50 2HG2 THR 50 6.608 4.812 -6.674 399 H HIS 51 H HIS 51 9.182 2.735 -7.553 400 HA HIS 51 HA HIS 51 7.849 0.372 -6.606 401 HB2 HIS 51 1HB HIS 51 10.530 1.597 -5.925 402 HB3 HIS 51 2HB HIS 51 9.938 0.106 -5.198 403 HD1 HIS 51 HD1 HIS 51 11.629 -1.484 -6.186 404 HD2 HIS 51 HD2 HIS 51 9.750 0.861 -9.061 405 HE1 HIS 51 HE1 HIS 51 12.329 -2.436 -8.410 406 HE2 HIS 51 HE2 HIS 51 11.332 -0.877 -10.127 407 H TYR 52 H TYR 52 6.360 0.465 -5.079 408 HA TYR 52 HA TYR 52 6.662 2.374 -2.869 409 HB2 TYR 52 1HB TYR 52 4.331 0.663 -3.762 410 HB3 TYR 52 2HB TYR 52 4.327 1.626 -2.281 411 HD1 TYR 52 HD2 TYR 52 4.363 4.065 -2.397 412 HD2 TYR 52 HD1 TYR 52 4.063 1.696 -5.912 413 HE1 TYR 52 HE2 TYR 52 3.629 6.038 -3.658 414 HE2 TYR 52 HE1 TYR 52 3.325 3.668 -7.186 415 HH TYR 52 HH TYR 52 2.285 5.852 -6.757 416 H GLN 53 H GLN 53 7.000 1.708 -0.803 417 HA GLN 53 HA GLN 53 7.254 -1.198 -0.393 418 HB2 GLN 53 1HB GLN 53 9.439 0.027 -0.600 419 HB3 GLN 53 2HB GLN 53 9.005 0.929 0.851 420 HG2 GLN 53 1HG GLN 53 9.031 -1.064 2.172 421 HG3 GLN 53 2HG GLN 53 9.249 -2.069 0.734 422 HE21 GLN 53 2HE2 GLN 53 11.150 -2.965 1.470 423 HE22 GLN 53 1HE2 GLN 53 12.627 -2.067 1.567 424 H ILE 54 H ILE 54 6.600 -2.006 1.576 425 HA ILE 54 HA ILE 54 4.424 -0.734 2.797 426 HB ILE 54 HB ILE 54 4.548 -2.545 4.490 427 HG12 ILE 54 1HG1 ILE 54 7.002 -3.409 2.938 428 HG13 ILE 54 2HG1 ILE 54 7.030 -2.716 4.555 429 HG21 ILE 54 1HG2 ILE 54 4.123 -4.368 2.912 430 HG22 ILE 54 2HG2 ILE 54 4.856 -3.418 1.621 431 HG23 ILE 54 3HG2 ILE 54 3.367 -2.864 2.384 432 HD11 ILE 54 3HD1 ILE 54 7.271 -5.134 4.604 433 HD12 ILE 54 1HD1 ILE 54 5.722 -5.312 3.779 434 HD13 ILE 54 2HD1 ILE 54 5.782 -4.623 5.403 435 H THR 55 H THR 55 4.133 0.269 4.743 436 HA THR 55 HA THR 55 6.567 1.179 6.139 437 HB THR 55 HB THR 55 5.214 3.121 6.853 438 HG1 THR 55 HG1 THR 55 3.137 3.389 5.863 439 HG21 THR 55 3HG2 THR 55 6.548 3.318 4.813 440 HG22 THR 55 1HG2 THR 55 5.052 4.242 4.673 441 HG23 THR 55 2HG2 THR 55 5.205 2.683 3.864 442 H GLU 56 H GLU 56 5.676 2.067 8.465 443 HA GLU 56 HA GLU 56 4.913 -0.159 10.010 444 HB2 GLU 56 1HB GLU 56 6.069 1.989 10.785 445 HB3 GLU 56 2HB GLU 56 4.479 2.732 10.783 446 HG2 GLU 56 1HG GLU 56 5.123 0.272 12.384 447 HG3 GLU 56 2HG GLU 56 5.344 1.904 13.004 448 H ARG 57 H ARG 57 3.040 2.702 8.976 449 HA ARG 57 HA ARG 57 0.545 1.849 9.925 450 HB2 ARG 57 1HB ARG 57 1.198 3.592 7.544 451 HB3 ARG 57 2HB ARG 57 -0.420 3.386 8.208 452 HG2 ARG 57 1HG ARG 57 0.349 4.353 10.331 453 HG3 ARG 57 2HG ARG 57 1.950 4.592 9.625 454 HD2 ARG 57 1HD ARG 57 0.971 6.028 7.901 455 HD3 ARG 57 2HD ARG 57 -0.626 5.797 8.615 456 HE ARG 57 HE ARG 57 1.258 6.835 10.496 457 HH11 ARG 57 1HH1 ARG 57 -0.874 7.703 7.855 458 HH12 ARG 57 2HH1 ARG 57 -1.045 9.357 8.368 459 HH21 ARG 57 1HH2 ARG 57 1.046 9.010 11.172 460 HH22 ARG 57 2HH2 ARG 57 0.016 10.093 10.268 461 H GLY 58 H GLY 58 2.142 1.307 6.816 462 HA2 GLY 58 1HA GLY 58 0.027 -0.061 5.553 463 HA3 GLY 58 2HA GLY 58 1.734 -0.225 5.152 464 H THR 59 H THR 59 2.568 -1.195 7.706 465 HA THR 59 HA THR 59 1.872 -3.955 7.470 466 HB THR 59 HB THR 59 3.393 -2.590 9.702 467 HG1 THR 59 HG1 THR 59 4.518 -2.181 7.844 468 HG21 THR 59 3HG2 THR 59 2.629 -4.872 10.235 469 HG22 THR 59 1HG2 THR 59 4.384 -4.789 10.072 470 HG23 THR 59 2HG2 THR 59 3.409 -5.465 8.768 471 H SER 60 H SER 60 1.065 -1.346 9.695 472 HA SER 60 HA SER 60 -0.412 -2.823 11.567 473 HB2 SER 60 1HB SER 60 0.390 -0.437 11.799 474 HB3 SER 60 2HB SER 60 -0.933 0.041 10.731 475 HG SER 60 HG SER 60 -0.970 -0.768 13.385 476 H ALA 61 H ALA 61 -1.350 -1.268 8.536 477 HA ALA 61 HA ALA 61 -4.118 -1.867 8.692 478 HB1 ALA 61 3HB ALA 61 -3.257 -0.141 7.212 479 HB2 ALA 61 1HB ALA 61 -4.145 -1.356 6.293 480 HB3 ALA 61 2HB ALA 61 -2.380 -1.355 6.281 481 H ALA 62 H ALA 62 -1.322 -3.637 7.587 482 HA ALA 62 HA ALA 62 -2.788 -5.729 6.296 483 HB1 ALA 62 3HB ALA 62 -0.482 -5.254 5.672 484 HB2 ALA 62 1HB ALA 62 -0.646 -6.914 6.242 485 HB3 ALA 62 2HB ALA 62 0.057 -5.687 7.295 486 H LEU 63 H LEU 63 -1.703 -5.050 9.511 487 HA LEU 63 HA LEU 63 -2.125 -7.699 10.537 488 HB2 LEU 63 1HB LEU 63 -0.531 -5.950 11.457 489 HB3 LEU 63 2HB LEU 63 -1.947 -5.118 12.089 490 HG LEU 63 HG LEU 63 -2.475 -7.091 13.472 491 HD11 LEU 63 1HD1 LEU 63 -1.461 -8.796 12.046 492 HD12 LEU 63 2HD1 LEU 63 -0.845 -8.887 13.696 493 HD13 LEU 63 3HD1 LEU 63 0.141 -8.164 12.425 494 HD21 LEU 63 3HD2 LEU 63 -1.134 -5.270 14.394 495 HD22 LEU 63 1HD2 LEU 63 0.336 -6.054 13.818 496 HD23 LEU 63 2HD2 LEU 63 -0.644 -6.825 15.064 497 H ARG 64 H ARG 64 -4.202 -5.461 9.407 498 HA ARG 64 HA ARG 64 -6.312 -6.168 11.328 499 HB2 ARG 64 1HB ARG 64 -5.615 -3.678 10.684 500 HB3 ARG 64 2HB ARG 64 -6.690 -3.988 9.327 501 HG2 ARG 64 1HG ARG 64 -8.046 -2.984 10.934 502 HG3 ARG 64 2HG ARG 64 -8.408 -4.707 11.068 503 HD2 ARG 64 1HD ARG 64 -6.655 -3.047 12.876 504 HD3 ARG 64 2HD ARG 64 -8.186 -3.819 13.281 505 HE ARG 64 HE ARG 64 -5.952 -5.527 12.479 506 HH11 ARG 64 1HH1 ARG 64 -8.032 -4.317 15.016 507 HH12 ARG 64 2HH1 ARG 64 -7.531 -5.520 16.170 508 HH21 ARG 64 1HH2 ARG 64 -5.324 -7.129 13.952 509 HH22 ARG 64 2HH2 ARG 64 -6.018 -7.158 15.550 510 H SER 65 H SER 65 -8.222 -7.046 10.576 511 HA SER 65 HA SER 65 -8.389 -7.637 7.708 512 HB2 SER 65 1HB SER 65 -8.891 -9.609 9.955 513 HB3 SER 65 2HB SER 65 -9.200 -9.916 8.245 514 HG SER 65 HG SER 65 -7.169 -10.746 8.915 Start of MODEL 20 1 H1 MET 1 1H MET 1 -11.871 8.068 6.693 2 H2 MET 1 2H MET 1 -10.715 6.830 6.668 3 H3 MET 1 3H MET 1 -12.202 6.618 5.880 4 HA MET 1 HA MET 1 -11.691 8.338 4.313 5 HB2 MET 1 1HB MET 1 -9.569 9.458 4.279 6 HB3 MET 1 2HB MET 1 -10.258 9.645 5.889 7 HG2 MET 1 1HG MET 1 -8.815 7.668 6.565 8 HG3 MET 1 2HG MET 1 -7.981 7.894 5.025 9 HE1 MET 1 3HE MET 1 -6.777 11.675 5.503 10 HE2 MET 1 1HE MET 1 -8.352 11.168 4.889 11 HE3 MET 1 2HE MET 1 -6.887 10.342 4.353 12 H ALA 2 H ALA 2 -10.442 5.443 5.490 13 HA ALA 2 HA ALA 2 -9.656 4.691 2.750 14 HB1 ALA 2 3HB ALA 2 -8.085 3.068 3.695 15 HB2 ALA 2 1HB ALA 2 -8.494 3.612 5.323 16 HB3 ALA 2 2HB ALA 2 -7.682 4.708 4.205 17 H THR 3 H THR 3 -10.605 2.839 1.958 18 HA THR 3 HA THR 3 -12.769 1.795 3.645 19 HB THR 3 HB THR 3 -13.320 2.770 1.388 20 HG1 THR 3 HG1 THR 3 -14.843 1.407 2.201 21 HG21 THR 3 3HG2 THR 3 -11.405 1.959 0.124 22 HG22 THR 3 1HG2 THR 3 -12.905 1.377 -0.596 23 HG23 THR 3 2HG2 THR 3 -11.918 0.292 0.383 24 H ALA 4 H ALA 4 -13.297 -0.610 3.170 25 HA ALA 4 HA ALA 4 -11.187 -2.164 4.139 26 HB1 ALA 4 3HB ALA 4 -13.631 -3.120 2.661 27 HB2 ALA 4 1HB ALA 4 -13.556 -2.754 4.385 28 HB3 ALA 4 2HB ALA 4 -12.606 -4.085 3.724 29 H ASP 5 H ASP 5 -12.178 -1.458 0.867 30 HA ASP 5 HA ASP 5 -10.697 -3.483 -0.429 31 HB2 ASP 5 1HB ASP 5 -11.591 -0.779 -1.447 32 HB3 ASP 5 2HB ASP 5 -10.902 -2.051 -2.459 33 H ASP 6 H ASP 6 -9.793 -0.378 0.877 34 HA ASP 6 HA ASP 6 -7.267 -0.227 -0.456 35 HB2 ASP 6 1HB ASP 6 -8.271 1.132 2.058 36 HB3 ASP 6 2HB ASP 6 -6.710 1.470 1.309 37 H PHE 7 H PHE 7 -8.403 -1.451 2.641 38 HA PHE 7 HA PHE 7 -5.960 -2.191 3.751 39 HB2 PHE 7 1HB PHE 7 -8.738 -3.322 4.054 40 HB3 PHE 7 2HB PHE 7 -7.369 -3.912 4.988 41 HD1 PHE 7 HD1 PHE 7 -6.323 -2.495 6.683 42 HD2 PHE 7 HD2 PHE 7 -9.734 -1.190 4.506 43 HE1 PHE 7 HE1 PHE 7 -6.697 -0.719 8.344 44 HE2 PHE 7 HE2 PHE 7 -10.117 0.590 6.160 45 HZ PHE 7 HZ PHE 7 -8.596 0.829 8.083 46 H LYS 8 H LYS 8 -8.075 -3.846 1.496 47 HA LYS 8 HA LYS 8 -6.688 -6.292 1.319 48 HB2 LYS 8 1HB LYS 8 -8.176 -4.874 -0.896 49 HB3 LYS 8 2HB LYS 8 -7.830 -6.593 -0.801 50 HG2 LYS 8 1HG LYS 8 -9.331 -6.860 1.037 51 HG3 LYS 8 2HG LYS 8 -9.563 -5.111 1.159 52 HD2 LYS 8 1HD LYS 8 -10.508 -5.129 -1.132 53 HD3 LYS 8 2HD LYS 8 -10.378 -6.889 -1.137 54 HE2 LYS 8 1HE LYS 8 -11.909 -7.049 0.716 55 HE3 LYS 8 2HE LYS 8 -11.956 -5.293 0.873 56 HZ1 LYS 8 3HZ LYS 8 -12.979 -5.143 -1.295 57 HZ2 LYS 8 1HZ LYS 8 -13.891 -6.167 -0.295 58 HZ3 LYS 8 2HZ LYS 8 -12.889 -6.827 -1.493 59 H LEU 9 H LEU 9 -6.426 -3.294 -0.519 60 HA LEU 9 HA LEU 9 -4.540 -4.142 -2.405 61 HB2 LEU 9 1HB LEU 9 -5.990 -2.068 -2.458 62 HB3 LEU 9 2HB LEU 9 -4.866 -1.338 -1.326 63 HG LEU 9 HG LEU 9 -3.955 -2.344 -4.018 64 HD11 LEU 9 1HD1 LEU 9 -4.219 -0.060 -4.850 65 HD12 LEU 9 2HD1 LEU 9 -4.994 0.402 -3.335 66 HD13 LEU 9 3HD1 LEU 9 -5.772 -0.765 -4.403 67 HD21 LEU 9 3HD2 LEU 9 -2.209 -1.876 -2.382 68 HD22 LEU 9 1HD2 LEU 9 -2.872 -0.264 -2.118 69 HD23 LEU 9 2HD2 LEU 9 -2.179 -0.687 -3.683 70 H ILE 10 H ILE 10 -4.135 -2.554 0.732 71 HA ILE 10 HA ILE 10 -1.309 -2.322 0.495 72 HB ILE 10 HB ILE 10 -2.633 -0.824 1.953 73 HG12 ILE 10 1HG1 ILE 10 -1.065 -0.865 3.890 74 HG13 ILE 10 2HG1 ILE 10 -0.471 -2.425 3.329 75 HG21 ILE 10 1HG2 ILE 10 -4.208 -2.420 2.872 76 HG22 ILE 10 2HG2 ILE 10 -3.345 -1.587 4.167 77 HG23 ILE 10 3HG2 ILE 10 -2.904 -3.239 3.733 78 HD11 ILE 10 3HD1 ILE 10 0.311 -1.405 1.273 79 HD12 ILE 10 1HD1 ILE 10 1.007 -0.604 2.682 80 HD13 ILE 10 2HD1 ILE 10 -0.316 0.158 1.798 81 H ARG 11 H ARG 11 -3.461 -4.747 1.857 82 HA ARG 11 HA ARG 11 -1.487 -6.341 3.105 83 HB2 ARG 11 1HB ARG 11 -3.850 -6.721 3.543 84 HB3 ARG 11 2HB ARG 11 -4.135 -7.106 1.850 85 HG2 ARG 11 1HG ARG 11 -2.582 -9.050 2.121 86 HG3 ARG 11 2HG ARG 11 -2.560 -8.707 3.851 87 HD2 ARG 11 1HD ARG 11 -4.167 -10.483 3.216 88 HD3 ARG 11 2HD ARG 11 -4.922 -9.108 4.018 89 HE ARG 11 HE ARG 11 -6.223 -8.871 2.177 90 HH11 ARG 11 1HH1 ARG 11 -3.239 -10.433 1.132 91 HH12 ARG 11 2HH1 ARG 11 -3.742 -10.550 -0.530 92 HH21 ARG 11 1HH2 ARG 11 -6.889 -9.083 0.009 93 HH22 ARG 11 2HH2 ARG 11 -5.819 -9.788 -1.166 94 H ASP 12 H ASP 12 -2.700 -6.091 -0.151 95 HA ASP 12 HA ASP 12 -1.431 -8.379 -1.234 96 HB2 ASP 12 1HB ASP 12 -3.385 -7.062 -2.179 97 HB3 ASP 12 2HB ASP 12 -2.214 -5.855 -2.708 98 H ILE 13 H ILE 13 -0.417 -5.032 -0.806 99 HA ILE 13 HA ILE 13 1.945 -5.022 -2.258 100 HB ILE 13 HB ILE 13 1.672 -3.803 0.492 101 HG12 ILE 13 1HG1 ILE 13 -0.280 -3.162 -0.818 102 HG13 ILE 13 2HG1 ILE 13 0.805 -1.786 -0.645 103 HG21 ILE 13 1HG2 ILE 13 3.918 -3.751 -0.451 104 HG22 ILE 13 2HG2 ILE 13 3.231 -2.128 -0.380 105 HG23 ILE 13 3HG2 ILE 13 3.296 -2.991 -1.917 106 HD11 ILE 13 3HD1 ILE 13 1.645 -2.188 -2.907 107 HD12 ILE 13 1HD1 ILE 13 -0.094 -1.896 -2.880 108 HD13 ILE 13 2HD1 ILE 13 0.521 -3.539 -3.070 109 H HIS 14 H HIS 14 1.223 -6.349 0.917 110 HA HIS 14 HA HIS 14 3.907 -7.104 1.527 111 HB2 HIS 14 1HB HIS 14 1.260 -7.942 2.717 112 HB3 HIS 14 2HB HIS 14 2.823 -8.450 3.348 113 HD1 HIS 14 HD1 HIS 14 4.203 -6.682 4.642 114 HD2 HIS 14 HD2 HIS 14 0.518 -5.343 3.269 115 HE1 HIS 14 HE1 HIS 14 3.781 -4.502 5.838 116 HE2 HIS 14 HE2 HIS 14 1.442 -3.846 5.162 117 H SER 15 H SER 15 1.092 -8.716 0.145 118 HA SER 15 HA SER 15 2.164 -11.333 0.185 119 HB2 SER 15 1HB SER 15 0.318 -11.921 -1.278 120 HB3 SER 15 2HB SER 15 -0.268 -10.781 -0.065 121 HG SER 15 HG SER 15 -0.321 -10.564 -2.721 122 H THR 16 H THR 16 2.628 -8.621 -1.875 123 HA THR 16 HA THR 16 3.761 -10.115 -4.068 124 HB THR 16 HB THR 16 3.914 -7.130 -3.575 125 HG1 THR 16 HG1 THR 16 1.717 -7.961 -3.576 126 HG21 THR 16 3HG2 THR 16 4.114 -6.981 -6.005 127 HG22 THR 16 1HG2 THR 16 4.016 -8.737 -6.134 128 HG23 THR 16 2HG2 THR 16 5.402 -7.987 -5.341 129 H GLY 17 H GLY 17 4.847 -9.373 -1.027 130 HA2 GLY 17 1HA GLY 17 7.092 -10.276 -0.539 131 HA3 GLY 17 2HA GLY 17 7.659 -9.381 -1.944 132 H GLY 18 H GLY 18 5.427 -7.463 -0.463 133 HA2 GLY 18 1HA GLY 18 5.595 -5.986 1.397 134 HA3 GLY 18 2HA GLY 18 7.317 -6.346 1.490 135 H ARG 19 H ARG 19 6.886 -6.005 -1.658 136 HA ARG 19 HA ARG 19 7.018 -3.075 -1.682 137 HB2 ARG 19 1HB ARG 19 8.911 -4.913 -3.166 138 HB3 ARG 19 2HB ARG 19 8.887 -3.154 -3.267 139 HG2 ARG 19 1HG ARG 19 9.490 -3.013 -0.902 140 HG3 ARG 19 2HG ARG 19 9.528 -4.776 -0.810 141 HD2 ARG 19 1HD ARG 19 11.250 -4.732 -2.627 142 HD3 ARG 19 2HD ARG 19 11.300 -2.980 -2.447 143 HE ARG 19 HE ARG 19 11.719 -3.972 0.080 144 HH11 ARG 19 1HH1 ARG 19 13.258 -4.204 -3.048 145 HH12 ARG 19 2HH1 ARG 19 14.831 -4.574 -2.406 146 HH21 ARG 19 1HH2 ARG 19 13.779 -4.483 0.960 147 HH22 ARG 19 2HH2 ARG 19 15.123 -4.749 -0.117 148 H ARG 20 H ARG 20 6.397 -2.129 -3.689 149 HA ARG 20 HA ARG 20 5.207 -3.899 -5.683 150 HB2 ARG 20 1HB ARG 20 3.470 -3.478 -3.970 151 HB3 ARG 20 2HB ARG 20 3.681 -1.746 -4.214 152 HG2 ARG 20 1HG ARG 20 1.724 -2.469 -5.384 153 HG3 ARG 20 2HG ARG 20 2.961 -2.039 -6.566 154 HD2 ARG 20 1HD ARG 20 3.443 -4.304 -7.027 155 HD3 ARG 20 2HD ARG 20 2.533 -4.859 -5.618 156 HE ARG 20 HE ARG 20 1.347 -3.740 -8.080 157 HH11 ARG 20 1HH1 ARG 20 1.208 -5.718 -5.212 158 HH12 ARG 20 2HH1 ARG 20 -0.406 -6.288 -5.496 159 HH21 ARG 20 1HH2 ARG 20 -0.788 -4.510 -8.503 160 HH22 ARG 20 2HH2 ARG 20 -1.535 -5.622 -7.398 161 H GLN 21 H GLN 21 5.471 -3.067 -7.710 162 HA GLN 21 HA GLN 21 6.228 -0.223 -7.877 163 HB2 GLN 21 1HB GLN 21 7.530 -0.819 -9.905 164 HB3 GLN 21 2HB GLN 21 8.124 -1.603 -8.444 165 HG2 GLN 21 1HG GLN 21 6.852 -3.642 -9.111 166 HG3 GLN 21 2HG GLN 21 6.494 -2.845 -10.645 167 HE21 GLN 21 2HE2 GLN 21 9.091 -1.544 -10.804 168 HE22 GLN 21 1HE2 GLN 21 10.241 -2.785 -11.203 169 H VAL 22 H VAL 22 5.037 1.074 -9.099 170 HA VAL 22 HA VAL 22 3.127 -0.133 -10.997 171 HB VAL 22 HB VAL 22 2.582 2.275 -9.248 172 HG11 VAL 22 1HG1 VAL 22 0.268 2.016 -10.043 173 HG12 VAL 22 2HG1 VAL 22 0.793 0.707 -11.104 174 HG13 VAL 22 3HG1 VAL 22 1.394 2.346 -11.360 175 HG21 VAL 22 3HG2 VAL 22 1.548 -0.546 -8.972 176 HG22 VAL 22 1HG2 VAL 22 1.003 0.843 -8.032 177 HG23 VAL 22 2HG2 VAL 22 2.663 0.270 -7.876 178 H PHE 23 H PHE 23 3.035 0.829 -12.978 179 HA PHE 23 HA PHE 23 5.101 2.728 -13.611 180 HB2 PHE 23 1HB PHE 23 2.953 1.421 -15.284 181 HB3 PHE 23 2HB PHE 23 4.133 2.550 -15.940 182 HD1 PHE 23 HD2 PHE 23 3.677 -0.773 -14.423 183 HD2 PHE 23 HD1 PHE 23 6.381 1.894 -16.345 184 HE1 PHE 23 HE2 PHE 23 5.268 -2.622 -14.744 185 HE2 PHE 23 HE1 PHE 23 7.974 0.050 -16.670 186 HZ PHE 23 HZ PHE 23 7.420 -2.210 -15.870 187 H GLY 24 H GLY 24 1.686 2.853 -13.010 188 HA2 GLY 24 1HA GLY 24 1.214 5.285 -12.242 189 HA3 GLY 24 2HA GLY 24 1.584 5.640 -13.928 190 H SER 25 H SER 25 -0.305 6.215 -14.784 191 HA SER 25 HA SER 25 -2.381 6.023 -15.675 192 HB2 SER 25 1HB SER 25 -1.416 3.801 -16.411 193 HB3 SER 25 2HB SER 25 -2.185 3.074 -15.004 194 HG SER 25 HG SER 25 -3.394 4.292 -17.254 195 H ARG 26 H ARG 26 -4.577 4.460 -14.985 196 HA ARG 26 HA ARG 26 -5.598 5.701 -12.679 197 HB2 ARG 26 1HB ARG 26 -7.447 4.047 -12.880 198 HB3 ARG 26 2HB ARG 26 -7.078 4.862 -14.393 199 HG2 ARG 26 1HG ARG 26 -5.851 2.920 -15.172 200 HG3 ARG 26 2HG ARG 26 -6.135 2.104 -13.635 201 HD2 ARG 26 1HD ARG 26 -7.666 1.342 -15.405 202 HD3 ARG 26 2HD ARG 26 -8.518 2.080 -14.049 203 HE ARG 26 HE ARG 26 -8.303 4.163 -15.681 204 HH11 ARG 26 1HH1 ARG 26 -9.174 0.851 -16.449 205 HH12 ARG 26 2HH1 ARG 26 -10.283 1.314 -17.711 206 HH21 ARG 26 1HH2 ARG 26 -9.708 4.760 -17.340 207 HH22 ARG 26 2HH2 ARG 26 -10.558 3.537 -18.241 208 H GLU 27 H GLU 27 -3.717 2.875 -13.114 209 HA GLU 27 HA GLU 27 -4.405 1.358 -10.874 210 HB2 GLU 27 1HB GLU 27 -1.762 1.579 -12.319 211 HB3 GLU 27 2HB GLU 27 -2.200 0.298 -11.195 212 HG2 GLU 27 1HG GLU 27 -3.819 -0.574 -12.654 213 HG3 GLU 27 2HG GLU 27 -3.785 0.868 -13.675 214 H GLN 28 H GLN 28 -1.973 3.885 -11.301 215 HA GLN 28 HA GLN 28 -0.743 3.456 -8.770 216 HB2 GLN 28 1HB GLN 28 0.455 4.405 -10.700 217 HB3 GLN 28 2HB GLN 28 -0.553 5.846 -10.608 218 HG2 GLN 28 1HG GLN 28 0.376 6.443 -8.493 219 HG3 GLN 28 2HG GLN 28 1.237 4.909 -8.380 220 HE21 GLN 28 2HE2 GLN 28 3.069 4.581 -9.609 221 HE22 GLN 28 1HE2 GLN 28 3.929 5.882 -10.365 222 H LYS 29 H LYS 29 -3.509 5.214 -9.747 223 HA LYS 29 HA LYS 29 -3.499 7.435 -8.118 224 HB2 LYS 29 1HB LYS 29 -5.149 6.998 -9.891 225 HB3 LYS 29 2HB LYS 29 -5.904 5.777 -8.880 226 HG2 LYS 29 1HG LYS 29 -6.470 7.490 -7.232 227 HG3 LYS 29 2HG LYS 29 -5.712 8.715 -8.253 228 HD2 LYS 29 1HD LYS 29 -7.311 8.253 -10.026 229 HD3 LYS 29 2HD LYS 29 -8.046 6.978 -9.051 230 HE2 LYS 29 1HE LYS 29 -8.638 8.659 -7.350 231 HE3 LYS 29 2HE LYS 29 -7.960 9.917 -8.384 232 HZ1 LYS 29 3HZ LYS 29 -9.608 9.483 -10.032 233 HZ2 LYS 29 1HZ LYS 29 -10.403 9.682 -8.547 234 HZ3 LYS 29 2HZ LYS 29 -10.187 8.129 -9.193 235 HA PRO 30 HA PRO 30 -5.606 5.018 -4.486 236 HB2 PRO 30 1HB PRO 30 -5.404 2.299 -4.519 237 HB3 PRO 30 2HB PRO 30 -6.811 3.187 -5.119 238 HG2 PRO 30 1HG PRO 30 -4.510 2.027 -6.643 239 HG3 PRO 30 2HG PRO 30 -6.241 1.995 -7.031 240 HD2 PRO 30 1HD PRO 30 -4.547 3.718 -8.216 241 HD3 PRO 30 2HD PRO 30 -6.227 4.162 -7.840 242 H PHE 31 H PHE 31 -2.706 3.768 -6.025 243 HA PHE 31 HA PHE 31 -1.467 2.829 -3.646 244 HB2 PHE 31 1HB PHE 31 -0.424 3.470 -6.395 245 HB3 PHE 31 2HB PHE 31 0.645 2.967 -5.089 246 HD1 PHE 31 HD1 PHE 31 -2.101 1.921 -7.287 247 HD2 PHE 31 HD2 PHE 31 0.717 0.708 -4.343 248 HE1 PHE 31 HE1 PHE 31 -2.586 -0.434 -7.802 249 HE2 PHE 31 HE2 PHE 31 0.236 -1.649 -4.852 250 HZ PHE 31 HZ PHE 31 -1.416 -2.225 -6.583 251 H GLU 32 H GLU 32 -1.107 5.799 -5.557 252 HA GLU 32 HA GLU 32 0.793 6.949 -3.775 253 HB2 GLU 32 1HB GLU 32 0.446 9.017 -5.018 254 HB3 GLU 32 2HB GLU 32 0.638 7.658 -6.110 255 HG2 GLU 32 1HG GLU 32 -1.088 8.727 -7.117 256 HG3 GLU 32 2HG GLU 32 -1.992 7.665 -6.041 257 H ASP 33 H ASP 33 -2.616 6.725 -3.861 258 HA ASP 33 HA ASP 33 -3.291 8.763 -2.032 259 HB2 ASP 33 1HB ASP 33 -4.883 7.482 -3.517 260 HB3 ASP 33 2HB ASP 33 -4.723 6.127 -2.397 261 H LEU 34 H LEU 34 -2.478 5.345 -1.618 262 HA LEU 34 HA LEU 34 -2.796 5.291 1.188 263 HB2 LEU 34 1HB LEU 34 -1.101 3.563 -0.615 264 HB3 LEU 34 2HB LEU 34 -1.423 3.230 1.077 265 HG LEU 34 HG LEU 34 -3.410 3.225 -1.193 266 HD11 LEU 34 1HD1 LEU 34 -2.012 1.236 -1.024 267 HD12 LEU 34 2HD1 LEU 34 -3.683 0.879 -0.592 268 HD13 LEU 34 3HD1 LEU 34 -2.464 1.054 0.670 269 HD21 LEU 34 3HD2 LEU 34 -3.922 2.840 1.754 270 HD22 LEU 34 1HD2 LEU 34 -5.099 2.623 0.459 271 HD23 LEU 34 2HD2 LEU 34 -4.434 4.223 0.787 272 H VAL 35 H VAL 35 -0.246 6.391 -0.886 273 HA VAL 35 HA VAL 35 1.865 6.406 0.985 274 HB VAL 35 HB VAL 35 1.400 8.315 -1.317 275 HG11 VAL 35 1HG1 VAL 35 3.918 7.650 0.205 276 HG12 VAL 35 2HG1 VAL 35 3.039 9.179 0.252 277 HG13 VAL 35 3HG1 VAL 35 3.830 8.662 -1.238 278 HG21 VAL 35 3HG2 VAL 35 2.929 5.720 -1.193 279 HG22 VAL 35 1HG2 VAL 35 2.922 6.834 -2.560 280 HG23 VAL 35 2HG2 VAL 35 1.434 6.017 -2.080 281 H ASP 36 H ASP 36 -0.685 8.719 0.229 282 HA ASP 36 HA ASP 36 0.157 10.780 1.969 283 HB2 ASP 36 1HB ASP 36 -1.524 11.130 0.193 284 HB3 ASP 36 2HB ASP 36 -2.652 10.089 1.062 285 H LEU 37 H LEU 37 -1.898 7.966 2.380 286 HA LEU 37 HA LEU 37 -2.756 8.594 5.021 287 HB2 LEU 37 1HB LEU 37 -2.714 5.930 3.597 288 HB3 LEU 37 2HB LEU 37 -3.640 6.324 5.034 289 HG LEU 37 HG LEU 37 -4.049 7.505 2.288 290 HD11 LEU 37 1HD1 LEU 37 -6.179 6.296 2.363 291 HD12 LEU 37 2HD1 LEU 37 -5.709 5.577 3.904 292 HD13 LEU 37 3HD1 LEU 37 -4.798 5.202 2.442 293 HD21 LEU 37 3HD2 LEU 37 -4.533 9.129 4.038 294 HD22 LEU 37 1HD2 LEU 37 -5.570 7.959 4.853 295 HD23 LEU 37 2HD2 LEU 37 -6.018 8.576 3.263 296 H GLY 38 H GLY 38 0.155 7.417 3.764 297 HA2 GLY 38 1HA GLY 38 2.107 6.941 4.930 298 HA3 GLY 38 2HA GLY 38 1.177 6.946 6.426 299 H TRP 39 H TRP 39 0.127 5.030 3.734 300 HA TRP 39 HA TRP 39 0.787 2.581 5.218 301 HB2 TRP 39 1HB TRP 39 -0.997 3.063 2.813 302 HB3 TRP 39 2HB TRP 39 -0.718 1.483 3.544 303 HD1 TRP 39 HD1 TRP 39 -1.079 4.178 6.116 304 HE1 TRP 39 HE1 TRP 39 -3.412 4.049 7.199 305 HE3 TRP 39 HE3 TRP 39 -3.313 0.900 2.886 306 HZ2 TRP 39 HZ2 TRP 39 -5.843 2.752 6.760 307 HZ3 TRP 39 HZ3 TRP 39 -5.655 0.265 3.296 308 HH2 TRP 39 HH2 TRP 39 -6.896 1.173 5.194 309 H LEU 40 H LEU 40 1.385 4.303 2.252 310 HA LEU 40 HA LEU 40 3.434 2.317 1.540 311 HB2 LEU 40 1HB LEU 40 1.639 3.951 -0.241 312 HB3 LEU 40 2HB LEU 40 3.108 3.197 -0.831 313 HG LEU 40 HG LEU 40 0.760 1.728 0.375 314 HD11 LEU 40 1HD1 LEU 40 0.205 2.665 -1.795 315 HD12 LEU 40 2HD1 LEU 40 0.402 0.916 -1.916 316 HD13 LEU 40 3HD1 LEU 40 1.681 1.988 -2.486 317 HD21 LEU 40 3HD2 LEU 40 1.928 -0.276 -0.430 318 HD22 LEU 40 1HD2 LEU 40 2.871 0.593 0.781 319 HD23 LEU 40 2HD2 LEU 40 3.291 0.729 -0.927 320 H LYS 41 H LYS 41 5.346 3.096 0.627 321 HA LYS 41 HA LYS 41 5.839 5.986 0.752 322 HB2 LYS 41 1HB LYS 41 6.675 5.108 2.865 323 HB3 LYS 41 2HB LYS 41 7.544 3.826 2.024 324 HG2 LYS 41 1HG LYS 41 8.921 5.585 0.920 325 HG3 LYS 41 2HG LYS 41 8.128 6.778 1.956 326 HD2 LYS 41 1HD LYS 41 8.974 5.674 3.934 327 HD3 LYS 41 2HD LYS 41 9.676 4.388 2.950 328 HE2 LYS 41 1HE LYS 41 11.124 6.053 1.855 329 HE3 LYS 41 2HE LYS 41 10.452 7.301 2.903 330 HZ1 LYS 41 3HZ LYS 41 12.580 6.471 3.713 331 HZ2 LYS 41 1HZ LYS 41 11.945 4.903 3.825 332 HZ3 LYS 41 2HZ LYS 41 11.336 6.141 4.816 333 H ARG 42 H ARG 42 7.109 6.702 -0.942 334 HA ARG 42 HA ARG 42 7.805 4.705 -2.935 335 HB2 ARG 42 1HB ARG 42 8.279 7.686 -3.081 336 HB3 ARG 42 2HB ARG 42 8.260 6.541 -4.418 337 HG2 ARG 42 1HG ARG 42 5.847 6.117 -3.904 338 HG3 ARG 42 2HG ARG 42 5.928 7.461 -2.757 339 HD2 ARG 42 1HD ARG 42 6.402 7.564 -5.732 340 HD3 ARG 42 2HD ARG 42 5.049 8.263 -4.847 341 HE ARG 42 HE ARG 42 7.490 9.328 -3.884 342 HH11 ARG 42 1HH1 ARG 42 5.336 9.462 -6.645 343 HH12 ARG 42 2HH1 ARG 42 5.815 11.070 -7.097 344 HH21 ARG 42 1HH2 ARG 42 8.132 11.447 -4.497 345 HH22 ARG 42 2HH2 ARG 42 7.385 12.199 -5.875 346 H SER 43 H SER 43 9.584 3.590 -2.408 347 HA SER 43 HA SER 43 11.789 4.876 -1.056 348 HB2 SER 43 1HB SER 43 11.050 2.541 -0.518 349 HB3 SER 43 2HB SER 43 11.616 2.042 -2.113 350 HG SER 43 HG SER 43 13.145 1.741 -0.339 351 H SER 44 H SER 44 10.977 3.803 -4.266 352 HA SER 44 HA SER 44 13.345 5.170 -5.265 353 HB2 SER 44 1HB SER 44 14.012 2.806 -5.141 354 HB3 SER 44 2HB SER 44 12.596 2.350 -6.087 355 HG SER 44 HG SER 44 14.986 3.081 -6.974 356 H VAL 45 H VAL 45 12.556 6.678 -6.556 357 HA VAL 45 HA VAL 45 10.090 6.133 -8.038 358 HB VAL 45 HB VAL 45 11.560 8.758 -7.728 359 HG11 VAL 45 1HG1 VAL 45 10.192 8.659 -9.745 360 HG12 VAL 45 2HG1 VAL 45 9.484 9.758 -8.560 361 HG13 VAL 45 3HG1 VAL 45 8.801 8.148 -8.789 362 HG21 VAL 45 3HG2 VAL 45 9.772 9.350 -6.151 363 HG22 VAL 45 1HG2 VAL 45 10.724 7.980 -5.581 364 HG23 VAL 45 2HG2 VAL 45 9.128 7.713 -6.281 365 H ASP 46 H ASP 46 10.835 4.831 -9.654 366 HA ASP 46 HA ASP 46 13.034 5.609 -11.332 367 HB2 ASP 46 1HB ASP 46 12.684 3.260 -11.020 368 HB3 ASP 46 2HB ASP 46 10.988 3.389 -11.480 369 H SER 47 H SER 47 12.817 6.029 -13.617 370 HA SER 47 HA SER 47 11.112 8.166 -14.134 371 HB2 SER 47 1HB SER 47 13.277 7.733 -15.283 372 HB3 SER 47 2HB SER 47 12.512 6.419 -16.173 373 HG SER 47 HG SER 47 11.044 8.674 -16.377 374 H ARG 48 H ARG 48 10.588 4.739 -14.607 375 HA ARG 48 HA ARG 48 8.076 5.409 -15.992 376 HB2 ARG 48 1HB ARG 48 9.813 2.965 -16.323 377 HB3 ARG 48 2HB ARG 48 8.204 3.131 -17.014 378 HG2 ARG 48 1HG ARG 48 8.965 5.088 -18.287 379 HG3 ARG 48 2HG ARG 48 10.583 4.879 -17.617 380 HD2 ARG 48 1HD ARG 48 9.115 2.843 -19.290 381 HD3 ARG 48 2HD ARG 48 10.352 3.946 -19.892 382 HE ARG 48 HE ARG 48 11.207 2.308 -17.672 383 HH11 ARG 48 1HH1 ARG 48 10.918 2.555 -21.153 384 HH12 ARG 48 2HH1 ARG 48 12.155 1.372 -21.467 385 HH21 ARG 48 1HH2 ARG 48 12.811 0.725 -18.078 386 HH22 ARG 48 2HH2 ARG 48 13.216 0.318 -19.725 387 H ALA 49 H ALA 49 9.578 3.239 -13.620 388 HA ALA 49 HA ALA 49 6.846 2.530 -12.737 389 HB1 ALA 49 3HB ALA 49 7.712 0.370 -12.011 390 HB2 ALA 49 1HB ALA 49 9.321 0.816 -12.579 391 HB3 ALA 49 2HB ALA 49 8.001 0.622 -13.732 392 H THR 50 H THR 50 6.339 3.413 -10.868 393 HA THR 50 HA THR 50 8.370 4.376 -9.056 394 HB THR 50 HB THR 50 5.375 4.327 -8.642 395 HG1 THR 50 HG1 THR 50 6.872 5.711 -10.434 396 HG21 THR 50 3HG2 THR 50 5.829 6.261 -7.193 397 HG22 THR 50 1HG2 THR 50 7.556 6.082 -7.502 398 HG23 THR 50 2HG2 THR 50 6.680 4.820 -6.634 399 H HIS 51 H HIS 51 9.218 3.243 -7.432 400 HA HIS 51 HA HIS 51 8.063 0.657 -6.735 401 HB2 HIS 51 1HB HIS 51 10.717 1.941 -6.062 402 HB3 HIS 51 2HB HIS 51 10.208 0.377 -5.432 403 HD1 HIS 51 HD1 HIS 51 10.768 -1.610 -6.823 404 HD2 HIS 51 HD2 HIS 51 10.973 1.940 -8.987 405 HE1 HIS 51 HE1 HIS 51 11.742 -2.230 -9.052 406 HE2 HIS 51 HE2 HIS 51 11.666 -0.108 -10.414 407 H TYR 52 H TYR 52 6.688 0.532 -5.125 408 HA TYR 52 HA TYR 52 6.800 2.490 -2.945 409 HB2 TYR 52 1HB TYR 52 4.646 0.524 -3.761 410 HB3 TYR 52 2HB TYR 52 4.543 1.588 -2.357 411 HD1 TYR 52 HD2 TYR 52 4.250 3.985 -2.635 412 HD2 TYR 52 HD1 TYR 52 4.378 1.389 -6.002 413 HE1 TYR 52 HE2 TYR 52 3.320 5.774 -4.047 414 HE2 TYR 52 HE1 TYR 52 3.449 3.168 -7.421 415 HH TYR 52 HH TYR 52 3.257 6.410 -6.412 416 H GLN 53 H GLN 53 6.995 1.898 -0.844 417 HA GLN 53 HA GLN 53 7.619 -0.925 -0.289 418 HB2 GLN 53 1HB GLN 53 9.667 0.347 -0.226 419 HB3 GLN 53 2HB GLN 53 8.922 1.586 0.779 420 HG2 GLN 53 1HG GLN 53 8.736 0.002 2.617 421 HG3 GLN 53 2HG GLN 53 9.445 -1.263 1.609 422 HE21 GLN 53 2HE2 GLN 53 11.619 -1.234 1.176 423 HE22 GLN 53 1HE2 GLN 53 12.732 -0.214 2.022 424 H ILE 54 H ILE 54 6.779 -1.787 1.573 425 HA ILE 54 HA ILE 54 4.460 -0.630 2.689 426 HB ILE 54 HB ILE 54 4.623 -2.461 4.381 427 HG12 ILE 54 1HG1 ILE 54 7.088 -3.245 2.808 428 HG13 ILE 54 2HG1 ILE 54 7.111 -2.558 4.427 429 HG21 ILE 54 1HG2 ILE 54 3.436 -2.770 2.284 430 HG22 ILE 54 2HG2 ILE 54 4.237 -4.264 2.772 431 HG23 ILE 54 3HG2 ILE 54 4.932 -3.267 1.494 432 HD11 ILE 54 3HD1 ILE 54 7.414 -4.972 4.462 433 HD12 ILE 54 1HD1 ILE 54 5.860 -5.183 3.653 434 HD13 ILE 54 2HD1 ILE 54 5.924 -4.499 5.279 435 H THR 55 H THR 55 4.117 0.560 4.488 436 HA THR 55 HA THR 55 6.425 1.308 6.128 437 HB THR 55 HB THR 55 4.924 2.978 7.131 438 HG1 THR 55 HG1 THR 55 2.791 3.185 6.231 439 HG21 THR 55 3HG2 THR 55 6.142 3.581 5.088 440 HG22 THR 55 1HG2 THR 55 4.576 4.390 5.163 441 HG23 THR 55 2HG2 THR 55 4.796 2.991 4.113 442 H GLU 56 H GLU 56 5.564 1.645 8.578 443 HA GLU 56 HA GLU 56 4.891 -0.961 9.524 444 HB2 GLU 56 1HB GLU 56 4.614 0.399 11.763 445 HB3 GLU 56 2HB GLU 56 6.200 0.072 11.087 446 HG2 GLU 56 1HG GLU 56 4.738 2.619 10.497 447 HG3 GLU 56 2HG GLU 56 5.719 2.421 11.949 448 H ARG 57 H ARG 57 3.083 2.075 9.136 449 HA ARG 57 HA ARG 57 0.696 1.035 10.283 450 HB2 ARG 57 1HB ARG 57 1.110 3.486 9.949 451 HB3 ARG 57 2HB ARG 57 0.890 3.238 8.216 452 HG2 ARG 57 1HG ARG 57 -1.385 2.446 8.614 453 HG3 ARG 57 2HG ARG 57 -1.168 2.683 10.346 454 HD2 ARG 57 1HD ARG 57 -0.800 5.100 9.920 455 HD3 ARG 57 2HD ARG 57 -1.161 4.816 8.211 456 HE ARG 57 HE ARG 57 -3.220 3.831 9.952 457 HH11 ARG 57 1HH1 ARG 57 -2.026 6.729 8.358 458 HH12 ARG 57 2HH1 ARG 57 -3.573 7.522 8.391 459 HH21 ARG 57 1HH2 ARG 57 -5.246 4.891 9.976 460 HH22 ARG 57 2HH2 ARG 57 -5.386 6.489 9.297 461 H GLY 58 H GLY 58 2.076 1.044 7.051 462 HA2 GLY 58 1HA GLY 58 -0.096 -0.066 5.659 463 HA3 GLY 58 2HA GLY 58 1.600 -0.255 5.218 464 H THR 59 H THR 59 2.348 -1.559 7.691 465 HA THR 59 HA THR 59 1.578 -4.245 7.107 466 HB THR 59 HB THR 59 3.022 -3.170 9.540 467 HG1 THR 59 HG1 THR 59 4.868 -3.482 8.382 468 HG21 THR 59 3HG2 THR 59 2.898 -5.964 8.397 469 HG22 THR 59 1HG2 THR 59 2.107 -5.422 9.877 470 HG23 THR 59 2HG2 THR 59 3.867 -5.456 9.779 471 H SER 60 H SER 60 0.823 -1.961 9.701 472 HA SER 60 HA SER 60 -0.822 -3.660 11.216 473 HB2 SER 60 1HB SER 60 0.145 -1.497 12.009 474 HB3 SER 60 2HB SER 60 -1.010 -0.644 10.979 475 HG SER 60 HG SER 60 -1.643 -2.418 13.116 476 H ALA 61 H ALA 61 -1.528 -1.470 8.534 477 HA ALA 61 HA ALA 61 -4.338 -1.785 8.580 478 HB1 ALA 61 3HB ALA 61 -4.299 -0.823 6.343 479 HB2 ALA 61 1HB ALA 61 -2.554 -1.069 6.256 480 HB3 ALA 61 2HB ALA 61 -3.229 0.066 7.425 481 H ALA 62 H ALA 62 -1.746 -3.560 6.993 482 HA ALA 62 HA ALA 62 -3.431 -5.217 5.414 483 HB1 ALA 62 3HB ALA 62 -1.448 -6.588 5.080 484 HB2 ALA 62 1HB ALA 62 -0.619 -5.723 6.374 485 HB3 ALA 62 2HB ALA 62 -1.066 -4.876 4.892 486 H LEU 63 H LEU 63 -2.268 -5.326 8.691 487 HA LEU 63 HA LEU 63 -2.908 -8.025 9.256 488 HB2 LEU 63 1HB LEU 63 -1.450 -6.550 10.655 489 HB3 LEU 63 2HB LEU 63 -2.890 -5.676 11.157 490 HG LEU 63 HG LEU 63 -3.769 -7.752 12.175 491 HD11 LEU 63 1HD1 LEU 63 -2.625 -9.361 10.755 492 HD12 LEU 63 2HD1 LEU 63 -2.277 -9.667 12.457 493 HD13 LEU 63 3HD1 LEU 63 -1.072 -8.879 11.436 494 HD21 LEU 63 3HD2 LEU 63 -1.015 -6.947 13.112 495 HD22 LEU 63 1HD2 LEU 63 -2.228 -7.792 14.073 496 HD23 LEU 63 2HD2 LEU 63 -2.530 -6.143 13.528 497 H ARG 64 H ARG 64 -4.737 -5.068 9.129 498 HA ARG 64 HA ARG 64 -7.119 -6.203 10.274 499 HB2 ARG 64 1HB ARG 64 -6.693 -3.802 10.467 500 HB3 ARG 64 2HB ARG 64 -6.685 -3.643 8.716 501 HG2 ARG 64 1HG ARG 64 -8.779 -2.858 9.614 502 HG3 ARG 64 2HG ARG 64 -9.044 -4.315 8.658 503 HD2 ARG 64 1HD ARG 64 -10.350 -4.441 10.674 504 HD3 ARG 64 2HD ARG 64 -9.055 -5.635 10.746 505 HE ARG 64 HE ARG 64 -7.928 -3.618 12.048 506 HH11 ARG 64 1HH1 ARG 64 -11.184 -4.882 12.287 507 HH12 ARG 64 2HH1 ARG 64 -11.344 -4.501 13.978 508 HH21 ARG 64 1HH2 ARG 64 -8.123 -3.122 14.264 509 HH22 ARG 64 2HH2 ARG 64 -9.613 -3.467 15.095 510 H SER 65 H SER 65 -7.455 -8.045 9.030 511 HA SER 65 HA SER 65 -8.113 -7.622 6.209 512 HB2 SER 65 1HB SER 65 -7.757 -10.227 7.714 513 HB3 SER 65 2HB SER 65 -7.932 -10.038 5.970 514 HG SER 65 HG SER 65 -5.940 -8.472 6.727
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