NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10615 | 1q2i | 5911 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 1 HA PRO 1 -11.242 9.053 -7.106 2 1HB PRO 1 1HB PRO 1 -13.167 10.004 -5.428 3 2HB PRO 1 2HB PRO 1 -13.470 9.774 -7.181 4 1HG PRO 1 1HG PRO 1 -14.136 7.852 -4.933 5 2HG PRO 1 2HG PRO 1 -15.241 8.458 -6.210 6 1HD PRO 1 1HD PRO 1 -13.963 6.063 -6.454 7 2HD PRO 1 2HD PRO 1 -14.149 7.141 -7.871 8 HA PRO 2 HA PRO 2 -9.191 8.579 -3.239 9 1HB PRO 2 1HB PRO 2 -9.031 11.105 -2.232 10 2HB PRO 2 2HB PRO 2 -8.221 10.646 -3.766 11 1HG PRO 2 1HG PRO 2 -10.932 11.965 -3.442 12 2HG PRO 2 2HG PRO 2 -9.571 12.513 -4.475 13 1HD PRO 2 1HD PRO 2 -11.606 11.006 -5.485 14 2HD PRO 2 2HD PRO 2 -9.917 10.711 -5.999 15 H LEU 3 H LEU 3 -10.083 7.519 -1.553 16 HA LEU 3 HA LEU 3 -11.444 8.694 0.549 17 1HB LEU 3 1HB LEU 3 -13.155 8.400 -1.758 18 2HB LEU 3 2HB LEU 3 -13.725 7.330 -0.455 19 HG LEU 3 HG LEU 3 -12.889 10.004 0.483 20 1HD1 LEU 3 1HD1 LEU 3 -13.836 10.624 -1.722 21 2HD1 LEU 3 2HD1 LEU 3 -15.312 9.703 -1.344 22 3HD1 LEU 3 3HD1 LEU 3 -14.898 11.150 -0.394 23 1HD2 LEU 3 1HD2 LEU 3 -15.529 8.510 0.738 24 2HD2 LEU 3 2HD2 LEU 3 -14.114 8.182 1.766 25 3HD2 LEU 3 3HD2 LEU 3 -14.894 9.782 1.809 26 H SER 4 H SER 4 -11.679 7.227 2.209 27 HA SER 4 HA SER 4 -11.895 4.375 1.643 28 1HB SER 4 1HB SER 4 -9.663 4.040 1.530 29 2HB SER 4 2HB SER 4 -9.300 5.670 2.148 30 HG SER 4 HG SER 4 -9.340 4.939 4.158 31 H GLN 5 H GLN 5 -13.359 3.740 3.103 32 HA GLN 5 HA GLN 5 -12.964 4.481 5.921 33 1HB GLN 5 1HB GLN 5 -14.495 6.191 4.652 34 2HB GLN 5 2HB GLN 5 -15.701 4.884 4.716 35 1HG GLN 5 1HG GLN 5 -14.176 5.831 7.166 36 2HG GLN 5 2HG GLN 5 -15.724 6.547 6.667 37 1HE2 GLN 5 1HE2 GLN 5 -14.149 3.886 8.242 38 2HE2 GLN 5 2HE2 GLN 5 -15.583 2.950 8.605 39 H GLU 6 H GLU 6 -16.005 3.369 4.486 40 HA GLU 6 HA GLU 6 -15.384 0.628 5.483 41 1HB GLU 6 1HB GLU 6 -17.701 0.460 6.242 42 2HB GLU 6 2HB GLU 6 -16.921 1.868 7.003 43 1HG GLU 6 1HG GLU 6 -17.869 3.209 4.986 44 2HG GLU 6 2HG GLU 6 -18.928 1.804 4.736 45 H THR 7 H THR 7 -14.875 1.451 2.837 46 HA THR 7 HA THR 7 -16.451 -0.475 1.406 47 HB THR 7 HB THR 7 -17.267 2.378 1.349 48 HG1 THR 7 1HG THR 7 -18.611 0.633 1.960 49 1HG2 THR 7 1HG2 THR 7 -16.267 1.001 -1.043 50 2HG2 THR 7 2HG2 THR 7 -17.972 1.484 -1.205 51 3HG2 THR 7 3HG2 THR 7 -16.734 2.705 -0.827 52 H PHE 8 H PHE 8 -15.361 2.560 -0.058 53 HA PHE 8 HA PHE 8 -13.717 1.379 -1.965 54 1HB PHE 8 1HB PHE 8 -12.496 3.791 -1.525 55 2HB PHE 8 2HB PHE 8 -13.941 3.546 -2.521 56 HD1 PHE 8 1HD PHE 8 -13.713 3.384 1.201 57 HD2 PHE 8 2HD PHE 8 -15.089 5.585 -2.221 58 HE1 PHE 8 1HE PHE 8 -14.999 4.895 2.690 59 HE2 PHE 8 2HE PHE 8 -16.374 7.096 -0.732 60 HZ PHE 8 HZ PHE 8 -16.329 6.751 1.723 61 H SER 9 H SER 9 -13.188 1.741 1.440 62 HA SER 9 HA SER 9 -10.287 1.648 1.303 63 1HB SER 9 1HB SER 9 -11.697 2.663 3.172 64 2HB SER 9 2HB SER 9 -12.075 0.997 3.669 65 HG SER 9 HG SER 9 -10.211 1.959 4.709 66 H ASP 10 H ASP 10 -12.945 -0.633 1.286 67 HA ASP 10 HA ASP 10 -11.546 -2.915 2.266 68 1HB ASP 10 1HB ASP 10 -14.123 -2.335 1.535 69 2HB ASP 10 2HB ASP 10 -13.593 -3.340 0.169 70 H LEU 11 H LEU 11 -11.500 -1.185 -0.779 71 HA LEU 11 HA LEU 11 -10.271 -3.423 -2.223 72 1HB LEU 11 1HB LEU 11 -9.997 -1.112 -3.755 73 2HB LEU 11 2HB LEU 11 -11.324 -2.293 -3.865 74 HG LEU 11 HG LEU 11 -12.520 -0.329 -3.489 75 1HD1 LEU 11 1HD1 LEU 11 -11.948 -0.749 -0.576 76 2HD1 LEU 11 2HD1 LEU 11 -13.508 -0.636 -1.425 77 3HD1 LEU 11 3HD1 LEU 11 -12.560 -2.141 -1.502 78 1HD2 LEU 11 1HD2 LEU 11 -11.738 1.532 -2.129 79 2HD2 LEU 11 2HD2 LEU 11 -10.379 0.562 -1.512 80 3HD2 LEU 11 3HD2 LEU 11 -10.423 1.043 -3.225 81 H TRP 12 H TRP 12 -9.034 -0.230 -2.822 82 HA TRP 12 HA TRP 12 -6.618 -0.060 -3.108 83 1HB TRP 12 1HB TRP 12 -6.947 0.649 -0.221 84 2HB TRP 12 2HB TRP 12 -6.175 1.556 -1.529 85 HD1 TRP 12 HD TRP 12 -8.735 2.194 0.670 86 HE1 TRP 12 1HE TRP 12 -10.697 3.517 -0.272 87 HE3 TRP 12 3HE TRP 12 -7.900 1.433 -4.322 88 HZ2 TRP 12 2HZ TRP 12 -11.782 4.172 -2.874 89 HZ3 TRP 12 3HZ TRP 12 -9.416 2.421 -5.999 90 HH2 TRP 12 HH TRP 12 -11.357 3.789 -5.294 91 H LYS 13 H LYS 13 -7.732 -2.037 -0.369 92 HA LYS 13 HA LYS 13 -5.273 -2.804 0.716 93 1HB LYS 13 1HB LYS 13 -7.148 -3.526 1.900 94 2HB LYS 13 2HB LYS 13 -7.971 -4.120 0.437 95 1HG LYS 13 1HG LYS 13 -6.631 -6.061 0.324 96 2HG LYS 13 2HG LYS 13 -5.371 -5.364 1.369 97 1HD LYS 13 1HD LYS 13 -7.210 -5.293 3.200 98 2HD LYS 13 2HD LYS 13 -8.112 -6.406 2.144 99 1HE LYS 13 1HE LYS 13 -6.225 -7.981 2.158 100 2HE LYS 13 2HE LYS 13 -5.275 -6.859 3.157 101 1HZ LYS 13 1HZ LYS 13 -6.613 -8.769 4.214 102 2HZ LYS 13 2HZ LYS 13 -6.531 -7.299 4.957 103 3HZ LYS 13 3HZ LYS 13 -7.878 -7.717 4.101 104 H LEU 14 H LEU 14 -6.344 -3.205 -2.468 105 HA LEU 14 HA LEU 14 -4.988 -5.753 -2.948 106 1HB LEU 14 1HB LEU 14 -5.514 -4.957 -5.400 107 2HB LEU 14 2HB LEU 14 -6.841 -5.489 -4.339 108 HG LEU 14 HG LEU 14 -7.092 -3.228 -5.640 109 1HD1 LEU 14 1HD1 LEU 14 -8.800 -3.632 -4.121 110 2HD1 LEU 14 2HD1 LEU 14 -7.678 -3.852 -2.757 111 3HD1 LEU 14 3HD1 LEU 14 -8.038 -2.216 -3.358 112 1HD2 LEU 14 1HD2 LEU 14 -4.713 -2.604 -4.626 113 2HD2 LEU 14 2HD2 LEU 14 -5.967 -1.359 -4.833 114 3HD2 LEU 14 3HD2 LEU 14 -5.691 -2.086 -3.232 115 H LEU 15 H LEU 15 -4.476 -2.262 -3.580 116 HA LEU 15 HA LEU 15 -2.084 -2.579 -5.096 117 1HB LEU 15 1HB LEU 15 -3.533 -0.388 -3.689 118 2HB LEU 15 2HB LEU 15 -1.794 -0.131 -3.966 119 HG LEU 15 HG LEU 15 -3.682 0.453 -5.823 120 1HD1 LEU 15 1HD1 LEU 15 -0.816 -0.154 -5.794 121 2HD1 LEU 15 2HD1 LEU 15 -1.549 -0.483 -7.382 122 3HD1 LEU 15 3HD1 LEU 15 -1.692 1.135 -6.654 123 1HD2 LEU 15 1HD2 LEU 15 -3.809 -2.332 -5.705 124 2HD2 LEU 15 2HD2 LEU 15 -4.390 -1.317 -7.047 125 3HD2 LEU 15 3HD2 LEU 15 -2.758 -2.024 -7.108 126 H LYS 16 H LYS 16 -2.797 -2.970 -1.730 127 HA LYS 16 HA LYS 16 -0.470 -2.201 -0.439 128 1HB LYS 16 1HB LYS 16 -1.993 -3.046 1.047 129 2HB LYS 16 2HB LYS 16 -2.523 -4.333 -0.062 130 1HG LYS 16 1HG LYS 16 0.287 -4.448 0.991 131 2HG LYS 16 2HG LYS 16 -1.038 -4.874 2.101 132 1HD LYS 16 1HD LYS 16 -0.252 -6.183 -0.515 133 2HD LYS 16 2HD LYS 16 -0.507 -6.934 1.079 134 1HE LYS 16 1HE LYS 16 -2.962 -5.948 0.762 135 2HE LYS 16 2HE LYS 16 -2.523 -6.024 -0.958 136 1HZ LYS 16 1HZ LYS 16 -3.500 -8.048 0.450 137 2HZ LYS 16 2HZ LYS 16 -2.614 -8.213 -0.932 138 3HZ LYS 16 3HZ LYS 16 -1.884 -8.365 0.539 139 H LYS 17 H LYS 17 -1.079 -5.543 -1.676 140 HA LYS 17 HA LYS 17 1.472 -6.557 -1.350 141 1HB LYS 17 1HB LYS 17 -0.202 -8.059 -2.045 142 2HB LYS 17 2HB LYS 17 -0.679 -7.038 -3.422 143 1HG LYS 17 1HG LYS 17 0.626 -8.463 -4.633 144 2HG LYS 17 2HG LYS 17 1.971 -7.495 -3.985 145 1HD LYS 17 1HD LYS 17 0.863 -10.106 -2.878 146 2HD LYS 17 2HD LYS 17 2.485 -9.816 -3.552 147 1HE LYS 17 1HE LYS 17 3.004 -8.275 -1.719 148 2HE LYS 17 2HE LYS 17 1.360 -8.459 -1.069 149 1HZ LYS 17 1HZ LYS 17 3.112 -9.826 -0.014 150 2HZ LYS 17 2HZ LYS 17 1.794 -10.666 -0.541 151 3HZ LYS 17 3HZ LYS 17 3.200 -10.712 -1.402 152 H TRP 18 H TRP 18 0.338 -4.178 -3.674 153 HA TRP 18 HA TRP 18 3.012 -4.264 -4.990 154 1HB TRP 18 1HB TRP 18 1.434 -2.719 -6.599 155 2HB TRP 18 2HB TRP 18 1.743 -4.445 -6.831 156 HD1 TRP 18 HD TRP 18 -0.990 -2.044 -6.530 157 HE1 TRP 18 1HE TRP 18 -3.243 -3.180 -6.180 158 HE3 TRP 18 3HE TRP 18 0.651 -6.749 -5.360 159 HZ2 TRP 18 2HZ TRP 18 -4.225 -5.810 -5.477 160 HZ3 TRP 18 3HZ TRP 18 -0.970 -8.540 -4.857 161 HH2 TRP 18 HH TRP 18 -3.405 -8.088 -4.911 162 H LYS 19 H LYS 19 0.990 -2.564 -2.830 163 HA LYS 19 HA LYS 19 2.385 0.000 -3.395 164 1HB LYS 19 1HB LYS 19 -0.159 -0.116 -3.308 165 2HB LYS 19 2HB LYS 19 0.003 -0.476 -1.573 166 1HG LYS 19 1HG LYS 19 1.691 1.700 -1.895 167 2HG LYS 19 2HG LYS 19 0.359 2.077 -3.014 168 1HD LYS 19 1HD LYS 19 -1.179 2.292 -1.324 169 2HD LYS 19 2HD LYS 19 -0.428 1.015 -0.337 170 1HE LYS 19 1HE LYS 19 1.466 2.588 0.156 171 2HE LYS 19 2HE LYS 19 0.585 3.862 -0.716 172 1HZ LYS 19 1HZ LYS 19 -1.018 2.582 1.220 173 2HZ LYS 19 2HZ LYS 19 0.336 3.237 1.897 174 3HZ LYS 19 3HZ LYS 19 -0.688 4.185 1.018 175 H MET 20 H MET 20 2.849 -2.733 -1.638 176 HA MET 20 HA MET 20 3.203 -1.954 1.022 177 1HB MET 20 1HB MET 20 3.914 -4.147 -0.670 178 2HB MET 20 2HB MET 20 5.369 -3.666 0.235 179 1HG MET 20 1HG MET 20 2.642 -4.405 1.340 180 2HG MET 20 2HG MET 20 4.173 -5.263 1.577 181 1HE MET 20 1HE MET 20 1.790 -2.758 2.265 182 2HE MET 20 2HE MET 20 1.888 -2.914 4.035 183 3HE MET 20 3HE MET 20 2.528 -1.460 3.233 184 H ARG 21 H ARG 21 6.038 -2.497 1.422 185 HA ARG 21 HA ARG 21 7.027 0.143 1.472 186 1HB ARG 21 1HB ARG 21 7.823 -2.423 2.358 187 2HB ARG 21 2HB ARG 21 9.159 -1.818 1.350 188 1HG ARG 21 1HG ARG 21 9.573 -0.011 2.741 189 2HG ARG 21 2HG ARG 21 7.886 0.080 3.302 190 1HD ARG 21 1HD ARG 21 9.866 -2.116 4.034 191 2HD ARG 21 2HD ARG 21 9.433 -0.742 5.075 192 HE ARG 21 HE ARG 21 7.832 -3.127 4.531 193 1HH1 ARG 21 2HH2 ARG 21 7.864 0.240 5.609 194 2HH1 ARG 21 1HH2 ARG 21 6.377 0.105 6.521 195 1HH2 ARG 21 2HH1 ARG 21 5.869 -3.306 5.736 196 2HH2 ARG 21 1HH1 ARG 21 5.240 -1.917 6.593 197 H ARG 22 H ARG 22 6.291 -1.522 -1.229 198 HA ARG 22 HA ARG 22 8.707 -1.021 -2.785 199 1HB ARG 22 1HB ARG 22 5.899 -1.973 -3.445 200 2HB ARG 22 2HB ARG 22 7.151 -1.714 -4.685 201 1HG ARG 22 1HG ARG 22 7.447 -3.980 -4.172 202 2HG ARG 22 2HG ARG 22 8.635 -3.205 -3.096 203 1HD ARG 22 1HD ARG 22 6.005 -3.292 -1.849 204 2HD ARG 22 2HD ARG 22 6.518 -4.918 -2.349 205 HE ARG 22 HE ARG 22 8.569 -3.376 -0.944 206 1HH1 ARG 22 2HH2 ARG 22 5.843 -5.614 -0.691 207 2HH1 ARG 22 1HH2 ARG 22 6.335 -6.253 0.862 208 1HH2 ARG 22 2HH1 ARG 22 9.218 -4.219 1.107 209 2HH2 ARG 22 1HH1 ARG 22 8.260 -5.458 1.887 210 H ASN 23 H ASN 23 8.531 1.347 -1.882 211 HA ASN 23 HA ASN 23 6.707 2.954 -3.580 212 1HB ASN 23 1HB ASN 23 6.569 3.566 -1.288 213 2HB ASN 23 2HB ASN 23 8.334 3.517 -1.086 214 1HD2 ASN 23 1HD2 ASN 23 5.822 5.158 -3.100 215 2HD2 ASN 23 2HD2 ASN 23 6.597 6.727 -3.088 216 H GLN 24 H GLN 24 9.720 4.233 -2.320 217 HA GLN 24 HA GLN 24 11.152 3.891 -4.842 218 1HB GLN 24 1HB GLN 24 9.411 6.018 -4.720 219 2HB GLN 24 2HB GLN 24 10.921 6.748 -4.124 220 1HG GLN 24 1HG GLN 24 11.952 5.391 -6.187 221 2HG GLN 24 2HG GLN 24 10.294 5.554 -6.806 222 1HE2 GLN 24 1HE2 GLN 24 10.494 7.097 -8.375 223 2HE2 GLN 24 2HE2 GLN 24 11.125 8.708 -8.103 224 H PHE 25 H PHE 25 11.024 6.078 -1.966 225 HA PHE 25 HA PHE 25 13.927 5.833 -1.658 226 1HB PHE 25 1HB PHE 25 13.096 7.992 -1.244 227 2HB PHE 25 2HB PHE 25 11.718 7.386 -0.310 228 HD1 PHE 25 1HD PHE 25 12.521 5.883 1.822 229 HD2 PHE 25 2HD PHE 25 14.754 9.047 -0.036 230 HE1 PHE 25 1HE PHE 25 13.796 6.216 3.923 231 HE2 PHE 25 2HE PHE 25 16.029 9.381 2.065 232 HZ PHE 25 HZ PHE 25 15.550 7.965 4.044 233 H TRP 26 H TRP 26 10.937 4.610 -0.188 234 HA TRP 26 HA TRP 26 12.574 3.172 1.835 235 1HB TRP 26 1HB TRP 26 10.300 2.749 2.866 236 2HB TRP 26 2HB TRP 26 10.867 4.424 2.881 237 HD1 TRP 26 HD TRP 26 8.092 2.223 1.649 238 HE1 TRP 26 1HE TRP 26 6.286 3.598 0.494 239 HE3 TRP 26 3HE TRP 26 10.555 6.700 1.345 240 HZ2 TRP 26 2HZ TRP 26 5.941 6.312 -0.452 241 HZ3 TRP 26 3HZ TRP 26 9.458 8.653 0.312 242 HH2 TRP 26 HH TRP 26 7.157 8.477 -0.589 243 H VAL 27 H VAL 27 12.916 2.168 -0.669 244 HA VAL 27 HA VAL 27 11.062 -0.159 -0.799 245 HB VAL 27 HB VAL 27 11.926 -0.375 -3.143 246 1HG1 VAL 27 1HG1 VAL 27 10.422 1.973 -2.063 247 2HG1 VAL 27 2HG1 VAL 27 10.945 2.072 -3.762 248 3HG1 VAL 27 3HG1 VAL 27 9.909 0.727 -3.226 249 1HG2 VAL 27 1HG2 VAL 27 13.062 1.777 -4.004 250 2HG2 VAL 27 2HG2 VAL 27 13.399 2.141 -2.294 251 3HG2 VAL 27 3HG2 VAL 27 14.065 0.668 -3.039 252 H LYS 28 H LYS 28 12.096 -1.406 0.813 253 HA LYS 28 HA LYS 28 13.501 -3.195 1.278 254 1HB LYS 28 1HB LYS 28 14.110 -2.717 -1.399 255 2HB LYS 28 2HB LYS 28 15.682 -2.567 -0.578 256 1HG LYS 28 1HG LYS 28 14.706 -4.765 0.689 257 2HG LYS 28 2HG LYS 28 13.907 -4.946 -0.892 258 1HD LYS 28 1HD LYS 28 16.896 -4.573 -0.419 259 2HD LYS 28 2HD LYS 28 16.090 -6.083 -0.907 260 1HE LYS 28 1HE LYS 28 15.801 -3.536 -2.523 261 2HE LYS 28 2HE LYS 28 17.174 -4.638 -2.767 262 1HZ LYS 28 1HZ LYS 28 14.811 -6.097 -2.705 263 2HZ LYS 28 2HZ LYS 28 14.627 -4.857 -3.776 264 3HZ LYS 28 3HZ LYS 28 15.880 -5.916 -3.946 265 H VAL 29 H VAL 29 13.485 -0.694 2.584 266 HA VAL 29 HA VAL 29 16.376 -0.290 3.183 267 HB VAL 29 HB VAL 29 14.041 1.575 3.748 268 1HG1 VAL 29 1HG1 VAL 29 15.562 2.867 4.810 269 2HG1 VAL 29 2HG1 VAL 29 16.657 1.465 4.764 270 3HG1 VAL 29 3HG1 VAL 29 16.731 2.695 3.479 271 1HG2 VAL 29 1HG2 VAL 29 15.468 2.833 1.831 272 2HG2 VAL 29 2HG2 VAL 29 15.774 1.148 1.345 273 3HG2 VAL 29 3HG2 VAL 29 14.103 1.754 1.452 274 H GLN 30 H GLN 30 14.576 -2.459 4.179 275 HA GLN 30 HA GLN 30 15.279 -2.233 6.968 276 1HB GLN 30 1HB GLN 30 12.982 -0.920 6.451 277 2HB GLN 30 2HB GLN 30 12.331 -2.567 6.625 278 1HG GLN 30 1HG GLN 30 13.974 -2.560 8.752 279 2HG GLN 30 2HG GLN 30 13.676 -0.811 8.647 280 1HE2 GLN 30 1HE2 GLN 30 12.705 -1.456 10.869 281 2HE2 GLN 30 2HE2 GLN 30 11.001 -1.858 10.868 282 H ARG 31 H ARG 31 14.890 -4.235 8.118 283 HA ARG 31 HA ARG 31 15.189 -6.533 6.438 284 1HB ARG 31 1HB ARG 31 15.037 -5.927 9.354 285 2HB ARG 31 2HB ARG 31 14.625 -7.589 8.866 286 1HG ARG 31 1HG ARG 31 16.956 -6.692 7.399 287 2HG ARG 31 2HG ARG 31 17.219 -6.456 9.144 288 1HD ARG 31 1HD ARG 31 17.134 -8.704 9.601 289 2HD ARG 31 2HD ARG 31 15.944 -9.027 8.322 290 HE ARG 31 HE ARG 31 18.816 -9.222 8.112 291 1HH1 ARG 31 2HH2 ARG 31 15.862 -8.409 6.349 292 2HH1 ARG 31 1HH2 ARG 31 16.521 -8.822 4.781 293 1HH2 ARG 31 2HH1 ARG 31 19.687 -9.767 6.042 294 2HH2 ARG 31 1HH1 ARG 31 18.702 -9.596 4.607 295 H GLY 32 H GLY 32 13.771 -8.500 6.604 296 1HA GLY 32 1HA GLY 32 11.558 -9.384 7.081 297 2HA GLY 32 2HA GLY 32 10.900 -7.744 6.879 Start of MODEL 2 1 HA PRO 1 HA PRO 1 -5.551 11.124 -3.469 2 1HB PRO 1 1HB PRO 1 -7.462 9.970 -1.907 3 2HB PRO 1 2HB PRO 1 -6.522 11.394 -1.354 4 1HG PRO 1 1HG PRO 1 -9.265 11.391 -2.646 5 2HG PRO 1 2HG PRO 1 -8.785 12.188 -1.112 6 1HD PRO 1 1HD PRO 1 -8.844 13.558 -3.467 7 2HD PRO 1 2HD PRO 1 -7.529 13.840 -2.286 8 HA PRO 2 HA PRO 2 -7.225 8.514 -6.613 9 1HB PRO 2 1HB PRO 2 -5.947 6.179 -6.034 10 2HB PRO 2 2HB PRO 2 -5.056 7.630 -6.597 11 1HG PRO 2 1HG PRO 2 -5.476 6.728 -3.733 12 2HG PRO 2 2HG PRO 2 -3.922 7.143 -4.527 13 1HD PRO 2 1HD PRO 2 -5.287 8.970 -3.034 14 2HD PRO 2 2HD PRO 2 -4.477 9.462 -4.553 15 H LEU 3 H LEU 3 -9.180 9.010 -4.831 16 HA LEU 3 HA LEU 3 -10.957 8.141 -3.656 17 1HB LEU 3 1HB LEU 3 -11.042 5.583 -5.058 18 2HB LEU 3 2HB LEU 3 -12.166 6.961 -5.143 19 HG LEU 3 HG LEU 3 -9.466 6.984 -6.537 20 1HD1 LEU 3 1HD1 LEU 3 -12.092 5.755 -7.350 21 2HD1 LEU 3 2HD1 LEU 3 -11.105 6.565 -8.590 22 3HD1 LEU 3 3HD1 LEU 3 -10.433 5.197 -7.671 23 1HD2 LEU 3 1HD2 LEU 3 -11.677 8.431 -7.760 24 2HD2 LEU 3 2HD2 LEU 3 -11.474 8.915 -6.060 25 3HD2 LEU 3 3HD2 LEU 3 -10.106 9.046 -7.191 26 H SER 4 H SER 4 -10.049 7.836 -1.599 27 HA SER 4 HA SER 4 -9.976 5.096 -0.712 28 1HB SER 4 1HB SER 4 -7.790 4.712 -1.139 29 2HB SER 4 2HB SER 4 -7.461 6.431 -1.462 30 HG SER 4 HG SER 4 -6.395 6.012 0.384 31 H GLN 5 H GLN 5 -11.248 5.424 1.025 32 HA GLN 5 HA GLN 5 -10.248 7.078 3.194 33 1HB GLN 5 1HB GLN 5 -12.196 8.143 1.314 34 2HB GLN 5 2HB GLN 5 -12.891 8.020 2.948 35 1HG GLN 5 1HG GLN 5 -10.126 9.008 2.970 36 2HG GLN 5 2HG GLN 5 -11.210 10.048 2.020 37 1HE2 GLN 5 1HE2 GLN 5 -10.894 11.696 3.677 38 2HE2 GLN 5 2HE2 GLN 5 -11.799 11.610 5.173 39 H GLU 6 H GLU 6 -13.680 6.428 2.578 40 HA GLU 6 HA GLU 6 -13.526 4.235 4.594 41 1HB GLU 6 1HB GLU 6 -15.814 4.959 5.277 42 2HB GLU 6 2HB GLU 6 -14.584 6.216 5.548 43 1HG GLU 6 1HG GLU 6 -15.292 7.481 3.684 44 2HG GLU 6 2HG GLU 6 -16.159 6.106 2.966 45 H THR 7 H THR 7 -13.153 3.691 1.877 46 HA THR 7 HA THR 7 -15.256 1.799 1.429 47 HB THR 7 HB THR 7 -15.437 4.467 0.123 48 HG1 THR 7 1HG THR 7 -17.177 3.943 1.243 49 1HG2 THR 7 1HG2 THR 7 -15.082 1.998 -1.403 50 2HG2 THR 7 2HG2 THR 7 -16.679 2.725 -1.700 51 3HG2 THR 7 3HG2 THR 7 -15.202 3.677 -1.982 52 H PHE 8 H PHE 8 -13.807 3.540 -1.274 53 HA PHE 8 HA PHE 8 -12.640 1.313 -2.455 54 1HB PHE 8 1HB PHE 8 -10.961 3.330 -3.219 55 2HB PHE 8 2HB PHE 8 -12.546 3.003 -3.939 56 HD1 PHE 8 1HD PHE 8 -11.893 4.443 -0.562 57 HD2 PHE 8 2HD PHE 8 -13.209 5.181 -4.583 58 HE1 PHE 8 1HE PHE 8 -12.665 6.703 0.106 59 HE2 PHE 8 2HE PHE 8 -13.981 7.441 -3.916 60 HZ PHE 8 HZ PHE 8 -13.709 8.202 -1.571 61 H SER 9 H SER 9 -11.653 3.022 0.389 62 HA SER 9 HA SER 9 -8.850 2.283 0.243 63 1HB SER 9 1HB SER 9 -8.760 3.166 2.517 64 2HB SER 9 2HB SER 9 -9.704 4.269 1.488 65 HG SER 9 HG SER 9 -10.709 2.302 3.273 66 H ASP 10 H ASP 10 -11.849 0.862 1.437 67 HA ASP 10 HA ASP 10 -10.758 -1.023 3.245 68 1HB ASP 10 1HB ASP 10 -13.224 -0.336 2.706 69 2HB ASP 10 2HB ASP 10 -13.128 -1.610 1.472 70 H LEU 11 H LEU 11 -10.778 -0.852 -0.259 71 HA LEU 11 HA LEU 11 -10.091 -3.687 -0.561 72 1HB LEU 11 1HB LEU 11 -9.633 -2.415 -2.989 73 2HB LEU 11 2HB LEU 11 -11.149 -3.208 -2.496 74 HG LEU 11 HG LEU 11 -11.921 -1.075 -3.043 75 1HD1 LEU 11 1HD1 LEU 11 -12.695 -0.215 -1.043 76 2HD1 LEU 11 2HD1 LEU 11 -12.054 -1.766 -0.449 77 3HD1 LEU 11 3HD1 LEU 11 -11.092 -0.279 -0.272 78 1HD2 LEU 11 1HD2 LEU 11 -9.443 0.127 -1.739 79 2HD2 LEU 11 2HD2 LEU 11 -9.590 -0.212 -3.480 80 3HD2 LEU 11 3HD2 LEU 11 -10.665 0.980 -2.711 81 H TRP 12 H TRP 12 -8.435 -1.443 -2.617 82 HA TRP 12 HA TRP 12 -6.078 -1.858 -3.016 83 1HB TRP 12 1HB TRP 12 -5.965 0.080 -0.736 84 2HB TRP 12 2HB TRP 12 -5.189 0.156 -2.324 85 HD1 TRP 12 HD TRP 12 -7.369 2.173 -0.594 86 HE1 TRP 12 1HE TRP 12 -9.162 3.317 -1.995 87 HE3 TRP 12 3HE TRP 12 -7.180 -0.817 -4.744 88 HZ2 TRP 12 2HZ TRP 12 -10.376 2.982 -4.601 89 HZ3 TRP 12 3HZ TRP 12 -8.668 -0.374 -6.662 90 HH2 TRP 12 HH TRP 12 -10.268 1.516 -6.607 91 H LYS 13 H LYS 13 -7.118 -2.126 0.386 92 HA LYS 13 HA LYS 13 -4.714 -2.838 1.595 93 1HB LYS 13 1HB LYS 13 -7.039 -2.508 2.626 94 2HB LYS 13 2HB LYS 13 -7.363 -4.199 2.173 95 1HG LYS 13 1HG LYS 13 -4.875 -4.388 3.359 96 2HG LYS 13 2HG LYS 13 -5.650 -3.110 4.325 97 1HD LYS 13 1HD LYS 13 -7.708 -4.719 4.375 98 2HD LYS 13 2HD LYS 13 -6.539 -5.971 3.893 99 1HE LYS 13 1HE LYS 13 -6.085 -4.120 6.258 100 2HE LYS 13 2HE LYS 13 -6.915 -5.684 6.411 101 1HZ LYS 13 1HZ LYS 13 -4.360 -5.630 5.063 102 2HZ LYS 13 2HZ LYS 13 -4.362 -5.452 6.703 103 3HZ LYS 13 3HZ LYS 13 -5.028 -6.797 6.018 104 H LEU 14 H LEU 14 -6.230 -4.374 -1.017 105 HA LEU 14 HA LEU 14 -5.310 -7.076 -0.341 106 1HB LEU 14 1HB LEU 14 -6.140 -7.471 -2.758 107 2HB LEU 14 2HB LEU 14 -7.353 -7.035 -1.531 108 HG LEU 14 HG LEU 14 -7.579 -5.745 -3.687 109 1HD1 LEU 14 1HD1 LEU 14 -6.868 -3.550 -1.910 110 2HD1 LEU 14 2HD1 LEU 14 -8.479 -4.110 -2.418 111 3HD1 LEU 14 3HD1 LEU 14 -7.682 -4.851 -1.009 112 1HD2 LEU 14 1HD2 LEU 14 -4.778 -5.525 -3.390 113 2HD2 LEU 14 2HD2 LEU 14 -5.791 -4.733 -4.622 114 3HD2 LEU 14 3HD2 LEU 14 -5.413 -3.887 -3.102 115 H LEU 15 H LEU 15 -4.469 -4.376 -2.538 116 HA LEU 15 HA LEU 15 -2.503 -5.633 -4.073 117 1HB LEU 15 1HB LEU 15 -3.133 -2.855 -3.206 118 2HB LEU 15 2HB LEU 15 -1.475 -3.136 -3.789 119 HG LEU 15 HG LEU 15 -3.283 -2.502 -5.544 120 1HD1 LEU 15 1HD1 LEU 15 -2.213 -4.991 -6.596 121 2HD1 LEU 15 2HD1 LEU 15 -1.745 -3.317 -6.979 122 3HD1 LEU 15 3HD1 LEU 15 -0.988 -4.161 -5.606 123 1HD2 LEU 15 1HD2 LEU 15 -5.129 -3.851 -5.120 124 2HD2 LEU 15 2HD2 LEU 15 -4.304 -4.821 -6.364 125 3HD2 LEU 15 3HD2 LEU 15 -4.131 -5.246 -4.644 126 H LYS 16 H LYS 16 -2.456 -4.623 -0.700 127 HA LYS 16 HA LYS 16 0.269 -4.390 -0.198 128 1HB LYS 16 1HB LYS 16 -0.925 -3.965 1.702 129 2HB LYS 16 2HB LYS 16 -2.146 -5.210 1.340 130 1HG LYS 16 1HG LYS 16 0.675 -6.041 2.023 131 2HG LYS 16 2HG LYS 16 -0.446 -5.579 3.327 132 1HD LYS 16 1HD LYS 16 -0.724 -7.826 1.306 133 2HD LYS 16 2HD LYS 16 -0.743 -7.926 3.083 134 1HE LYS 16 1HE LYS 16 -2.815 -6.235 2.734 135 2HE LYS 16 2HE LYS 16 -2.903 -7.099 1.183 136 1HZ LYS 16 1HZ LYS 16 -2.639 -9.115 2.794 137 2HZ LYS 16 2HZ LYS 16 -3.345 -8.074 3.860 138 3HZ LYS 16 3HZ LYS 16 -4.112 -8.458 2.452 139 H LYS 17 H LYS 17 -1.705 -7.411 -0.004 140 HA LYS 17 HA LYS 17 0.242 -9.239 0.601 141 1HB LYS 17 1HB LYS 17 -1.912 -10.108 0.373 142 2HB LYS 17 2HB LYS 17 -2.166 -9.336 -1.211 143 1HG LYS 17 1HG LYS 17 -1.636 -11.358 -2.095 144 2HG LYS 17 2HG LYS 17 0.044 -10.962 -1.659 145 1HD LYS 17 1HD LYS 17 0.080 -12.523 -0.020 146 2HD LYS 17 2HD LYS 17 -1.484 -11.977 0.630 147 1HE LYS 17 1HE LYS 17 -2.618 -13.613 -0.442 148 2HE LYS 17 2HE LYS 17 -1.747 -13.327 -1.964 149 1HZ LYS 17 1HZ LYS 17 -1.297 -15.282 0.026 150 2HZ LYS 17 2HZ LYS 17 -0.766 -15.223 -1.534 151 3HZ LYS 17 3HZ LYS 17 0.081 -14.456 -0.346 152 H TRP 18 H TRP 18 -0.055 -7.346 -2.331 153 HA TRP 18 HA TRP 18 2.275 -8.838 -3.444 154 1HB TRP 18 1HB TRP 18 1.272 -7.748 -5.643 155 2HB TRP 18 2HB TRP 18 0.712 -9.311 -5.036 156 HD1 TRP 18 HD TRP 18 -0.496 -5.989 -6.066 157 HE1 TRP 18 1HE TRP 18 -2.973 -5.680 -5.559 158 HE3 TRP 18 3HE TRP 18 -1.200 -10.020 -2.992 159 HZ2 TRP 18 2HZ TRP 18 -5.021 -7.014 -4.009 160 HZ3 TRP 18 3HZ TRP 18 -3.424 -10.468 -2.021 161 HH2 TRP 18 HH TRP 18 -5.340 -8.978 -2.518 162 H LYS 19 H LYS 19 1.055 -5.925 -2.165 163 HA LYS 19 HA LYS 19 3.099 -4.310 -3.595 164 1HB LYS 19 1HB LYS 19 0.508 -3.725 -2.190 165 2HB LYS 19 2HB LYS 19 1.765 -2.465 -2.223 166 1HG LYS 19 1HG LYS 19 1.913 -2.999 -4.773 167 2HG LYS 19 2HG LYS 19 0.330 -3.781 -4.543 168 1HD LYS 19 1HD LYS 19 -0.383 -1.582 -3.383 169 2HD LYS 19 2HD LYS 19 1.084 -0.874 -4.102 170 1HE LYS 19 1HE LYS 19 -0.200 -2.364 -6.158 171 2HE LYS 19 2HE LYS 19 -1.469 -1.423 -5.345 172 1HZ LYS 19 1HZ LYS 19 0.888 -0.488 -6.760 173 2HZ LYS 19 2HZ LYS 19 -0.674 0.028 -6.866 174 3HZ LYS 19 3HZ LYS 19 0.245 0.445 -5.561 175 H MET 20 H MET 20 2.841 -6.219 -0.906 176 HA MET 20 HA MET 20 3.535 -5.078 1.379 177 1HB MET 20 1HB MET 20 4.890 -7.320 -0.114 178 2HB MET 20 2HB MET 20 5.521 -6.798 1.466 179 1HG MET 20 1HG MET 20 2.575 -7.151 1.285 180 2HG MET 20 2HG MET 20 3.535 -8.634 1.146 181 1HE MET 20 1HE MET 20 4.229 -5.342 3.593 182 2HE MET 20 2HE MET 20 2.557 -5.579 3.033 183 3HE MET 20 3HE MET 20 2.973 -5.867 4.739 184 H ARG 21 H ARG 21 5.151 -3.881 2.354 185 HA ARG 21 HA ARG 21 7.088 -2.635 2.526 186 1HB ARG 21 1HB ARG 21 7.952 -4.511 0.856 187 2HB ARG 21 2HB ARG 21 7.866 -3.182 -0.325 188 1HG ARG 21 1HG ARG 21 9.633 -2.087 0.603 189 2HG ARG 21 2HG ARG 21 9.089 -2.427 2.264 190 1HD ARG 21 1HD ARG 21 9.957 -4.837 0.814 191 2HD ARG 21 2HD ARG 21 11.246 -3.626 0.981 192 HE ARG 21 HE ARG 21 10.244 -3.712 3.502 193 1HH1 ARG 21 2HH2 ARG 21 11.203 -6.229 1.212 194 2HH1 ARG 21 1HH2 ARG 21 11.688 -7.363 2.452 195 1HH2 ARG 21 2HH1 ARG 21 10.885 -5.210 5.140 196 2HH2 ARG 21 1HH1 ARG 21 11.507 -6.783 4.691 197 H ARG 22 H ARG 22 4.410 -2.143 0.797 198 HA ARG 22 HA ARG 22 5.318 0.378 -0.477 199 1HB ARG 22 1HB ARG 22 3.121 -1.573 -0.907 200 2HB ARG 22 2HB ARG 22 2.671 0.139 -1.097 201 1HG ARG 22 1HG ARG 22 3.480 -0.863 -3.233 202 2HG ARG 22 2HG ARG 22 4.519 0.474 -2.683 203 1HD ARG 22 1HD ARG 22 6.273 -0.933 -2.772 204 2HD ARG 22 2HD ARG 22 5.541 -1.849 -1.437 205 HE ARG 22 HE ARG 22 4.727 -3.439 -2.969 206 1HH1 ARG 22 2HH2 ARG 22 6.313 -0.713 -4.568 207 2HH1 ARG 22 1HH2 ARG 22 6.426 -1.513 -6.120 208 1HH2 ARG 22 2HH1 ARG 22 4.878 -4.496 -5.018 209 2HH2 ARG 22 1HH1 ARG 22 5.608 -3.670 -6.376 210 H ASN 23 H ASN 23 5.634 0.981 1.967 211 HA ASN 23 HA ASN 23 3.067 1.828 3.175 212 1HB ASN 23 1HB ASN 23 4.554 0.666 4.670 213 2HB ASN 23 2HB ASN 23 5.924 1.694 4.196 214 1HD2 ASN 23 1HD2 ASN 23 2.622 1.857 5.629 215 2HD2 ASN 23 2HD2 ASN 23 2.967 3.195 6.703 216 H GLN 24 H GLN 24 5.936 3.603 3.959 217 HA GLN 24 HA GLN 24 5.563 5.700 1.991 218 1HB GLN 24 1HB GLN 24 3.827 5.752 4.182 219 2HB GLN 24 2HB GLN 24 5.130 6.878 4.634 220 1HG GLN 24 1HG GLN 24 4.812 7.659 2.088 221 2HG GLN 24 2HG GLN 24 3.178 7.014 2.361 222 1HE2 GLN 24 1HE2 GLN 24 2.959 9.529 1.886 223 2HE2 GLN 24 2HE2 GLN 24 2.848 10.527 3.320 224 H PHE 25 H PHE 25 6.739 4.926 5.309 225 HA PHE 25 HA PHE 25 9.215 6.443 4.691 226 1HB PHE 25 1HB PHE 25 8.225 7.144 6.730 227 2HB PHE 25 2HB PHE 25 7.901 5.478 7.239 228 HD1 PHE 25 1HD PHE 25 10.199 3.978 7.242 229 HD2 PHE 25 2HD PHE 25 9.917 8.217 7.871 230 HE1 PHE 25 1HE PHE 25 12.347 3.936 8.482 231 HE2 PHE 25 2HE PHE 25 12.065 8.176 9.110 232 HZ PHE 25 HZ PHE 25 13.280 6.036 9.415 233 H TRP 26 H TRP 26 7.931 3.234 5.543 234 HA TRP 26 HA TRP 26 10.682 2.131 5.423 235 1HB TRP 26 1HB TRP 26 9.368 0.026 6.165 236 2HB TRP 26 2HB TRP 26 9.646 1.325 7.333 237 HD1 TRP 26 HD TRP 26 6.945 -0.634 5.653 238 HE1 TRP 26 1HE TRP 26 4.643 0.095 6.463 239 HE3 TRP 26 3HE TRP 26 8.286 3.608 8.185 240 HZ2 TRP 26 2HZ TRP 26 3.510 2.256 8.020 241 HZ3 TRP 26 3HZ TRP 26 6.571 4.973 9.317 242 HH2 TRP 26 HH TRP 26 4.184 4.313 9.244 243 H VAL 27 H VAL 27 9.298 3.137 3.038 244 HA VAL 27 HA VAL 27 8.394 0.750 1.606 245 HB VAL 27 HB VAL 27 8.232 2.397 -0.304 246 1HG1 VAL 27 1HG1 VAL 27 6.824 2.511 2.310 247 2HG1 VAL 27 2HG1 VAL 27 6.596 3.936 1.268 248 3HG1 VAL 27 3HG1 VAL 27 6.167 2.317 0.667 249 1HG2 VAL 27 1HG2 VAL 27 8.765 4.666 -0.005 250 2HG2 VAL 27 2HG2 VAL 27 8.757 4.534 1.770 251 3HG2 VAL 27 3HG2 VAL 27 10.104 3.844 0.833 252 H LYS 28 H LYS 28 9.930 2.484 -0.692 253 HA LYS 28 HA LYS 28 12.120 0.553 -0.840 254 1HB LYS 28 1HB LYS 28 11.245 2.844 -2.642 255 2HB LYS 28 2HB LYS 28 12.557 1.701 -3.018 256 1HG LYS 28 1HG LYS 28 11.109 -0.043 -3.414 257 2HG LYS 28 2HG LYS 28 9.933 0.519 -2.201 258 1HD LYS 28 1HD LYS 28 8.948 0.814 -4.401 259 2HD LYS 28 2HD LYS 28 9.354 2.423 -3.757 260 1HE LYS 28 1HE LYS 28 11.571 1.165 -5.233 261 2HE LYS 28 2HE LYS 28 10.126 1.425 -6.233 262 1HZ LYS 28 1HZ LYS 28 11.609 3.309 -6.225 263 2HZ LYS 28 2HZ LYS 28 10.140 3.703 -5.588 264 3HZ LYS 28 3HZ LYS 28 11.436 3.477 -4.594 265 H VAL 29 H VAL 29 12.405 2.087 1.456 266 HA VAL 29 HA VAL 29 14.310 4.243 0.822 267 HB VAL 29 HB VAL 29 13.484 3.203 3.551 268 1HG1 VAL 29 1HG1 VAL 29 15.104 4.740 4.034 269 2HG1 VAL 29 2HG1 VAL 29 14.991 5.509 2.433 270 3HG1 VAL 29 3HG1 VAL 29 13.811 5.917 3.701 271 1HG2 VAL 29 1HG2 VAL 29 11.376 3.760 2.825 272 2HG2 VAL 29 2HG2 VAL 29 11.946 5.406 3.192 273 3HG2 VAL 29 3HG2 VAL 29 11.988 4.802 1.518 274 H GLN 30 H GLN 30 14.885 1.386 0.159 275 HA GLN 30 HA GLN 30 16.923 0.269 0.080 276 1HB GLN 30 1HB GLN 30 17.781 2.563 1.152 277 2HB GLN 30 2HB GLN 30 17.929 1.540 2.601 278 1HG GLN 30 1HG GLN 30 19.617 0.283 1.705 279 2HG GLN 30 2HG GLN 30 18.937 0.351 0.065 280 1HE2 GLN 30 1HE2 GLN 30 19.034 2.582 -1.011 281 2HE2 GLN 30 2HE2 GLN 30 20.506 3.500 -0.778 282 H ARG 31 H ARG 31 16.031 -1.711 0.524 283 HA ARG 31 HA ARG 31 15.569 -2.381 3.382 284 1HB ARG 31 1HB ARG 31 14.238 -4.246 2.506 285 2HB ARG 31 2HB ARG 31 13.684 -2.709 1.799 286 1HG ARG 31 1HG ARG 31 13.985 -3.644 -0.234 287 2HG ARG 31 2HG ARG 31 15.736 -3.597 0.085 288 1HD ARG 31 1HD ARG 31 15.691 -5.818 1.040 289 2HD ARG 31 2HD ARG 31 13.915 -5.857 0.997 290 HE ARG 31 HE ARG 31 14.637 -5.450 -1.635 291 1HH1 ARG 31 2HH2 ARG 31 15.438 -7.817 0.866 292 2HH1 ARG 31 1HH2 ARG 31 15.695 -9.127 -0.264 293 1HH2 ARG 31 2HH1 ARG 31 14.977 -7.182 -3.128 294 2HH2 ARG 31 1HH1 ARG 31 15.432 -8.765 -2.541 295 H GLY 32 H GLY 32 17.492 -3.119 0.513 296 1HA GLY 32 1HA GLY 32 19.509 -4.430 2.061 297 2HA GLY 32 2HA GLY 32 18.526 -5.630 1.192 Start of MODEL 3 1 HA PRO 1 HA PRO 1 -15.471 11.617 -4.550 2 1HB PRO 1 1HB PRO 1 -14.703 9.041 -4.992 3 2HB PRO 1 2HB PRO 1 -16.288 9.665 -5.554 4 1HG PRO 1 1HG PRO 1 -13.724 9.451 -7.157 5 2HG PRO 1 2HG PRO 1 -15.345 8.828 -7.608 6 1HD PRO 1 1HD PRO 1 -14.452 11.244 -8.499 7 2HD PRO 1 2HD PRO 1 -16.157 11.036 -7.997 8 HA PRO 2 HA PRO 2 -11.309 11.935 -3.147 9 1HB PRO 2 1HB PRO 2 -11.321 10.437 -0.872 10 2HB PRO 2 2HB PRO 2 -12.310 11.926 -1.029 11 1HG PRO 2 1HG PRO 2 -13.205 9.067 -1.497 12 2HG PRO 2 2HG PRO 2 -13.987 10.294 -0.448 13 1HD PRO 2 1HD PRO 2 -14.836 9.859 -3.001 14 2HD PRO 2 2HD PRO 2 -14.755 11.521 -2.343 15 H LEU 3 H LEU 3 -9.617 10.161 -1.967 16 HA LEU 3 HA LEU 3 -9.512 7.876 -3.880 17 1HB LEU 3 1HB LEU 3 -7.344 9.777 -2.943 18 2HB LEU 3 2HB LEU 3 -6.972 8.181 -3.635 19 HG LEU 3 HG LEU 3 -8.093 8.740 -5.706 20 1HD1 LEU 3 1HD1 LEU 3 -9.981 9.993 -5.264 21 2HD1 LEU 3 2HD1 LEU 3 -9.166 10.980 -4.027 22 3HD1 LEU 3 3HD1 LEU 3 -8.888 11.310 -5.754 23 1HD2 LEU 3 1HD2 LEU 3 -6.415 11.096 -4.741 24 2HD2 LEU 3 2HD2 LEU 3 -5.784 9.589 -5.446 25 3HD2 LEU 3 3HD2 LEU 3 -6.759 10.697 -6.441 26 H SER 4 H SER 4 -10.002 6.113 -2.694 27 HA SER 4 HA SER 4 -9.856 4.520 -1.057 28 1HB SER 4 1HB SER 4 -7.270 5.364 -1.493 29 2HB SER 4 2HB SER 4 -7.449 5.612 0.261 30 HG SER 4 HG SER 4 -7.705 3.522 0.548 31 H GLN 5 H GLN 5 -11.493 4.768 0.362 32 HA GLN 5 HA GLN 5 -10.967 6.174 2.851 33 1HB GLN 5 1HB GLN 5 -12.533 7.423 0.689 34 2HB GLN 5 2HB GLN 5 -13.407 7.319 2.236 35 1HG GLN 5 1HG GLN 5 -10.619 8.110 2.619 36 2HG GLN 5 2HG GLN 5 -11.470 9.225 1.528 37 1HE2 GLN 5 1HE2 GLN 5 -10.669 10.308 3.855 38 2HE2 GLN 5 2HE2 GLN 5 -12.009 10.519 4.962 39 H GLU 6 H GLU 6 -14.218 5.835 1.531 40 HA GLU 6 HA GLU 6 -14.578 3.439 3.271 41 1HB GLU 6 1HB GLU 6 -16.246 5.891 2.772 42 2HB GLU 6 2HB GLU 6 -17.062 4.353 3.143 43 1HG GLU 6 1HG GLU 6 -14.896 4.543 4.957 44 2HG GLU 6 2HG GLU 6 -15.641 6.156 4.923 45 H THR 7 H THR 7 -13.624 3.114 0.659 46 HA THR 7 HA THR 7 -15.677 1.411 -0.422 47 HB THR 7 HB THR 7 -15.310 4.157 -1.522 48 HG1 THR 7 1HG THR 7 -17.276 3.536 -0.702 49 1HG2 THR 7 1HG2 THR 7 -14.793 1.752 -3.095 50 2HG2 THR 7 2HG2 THR 7 -16.218 2.627 -3.705 51 3HG2 THR 7 3HG2 THR 7 -14.652 3.462 -3.568 52 H PHE 8 H PHE 8 -13.487 3.157 -2.557 53 HA PHE 8 HA PHE 8 -12.216 0.897 -3.561 54 1HB PHE 8 1HB PHE 8 -10.278 2.821 -3.768 55 2HB PHE 8 2HB PHE 8 -11.647 2.630 -4.877 56 HD1 PHE 8 1HD PHE 8 -11.779 3.888 -1.369 57 HD2 PHE 8 2HD PHE 8 -12.012 4.869 -5.544 58 HE1 PHE 8 1HE PHE 8 -12.569 6.166 -0.789 59 HE2 PHE 8 2HE PHE 8 -12.802 7.147 -4.965 60 HZ PHE 8 HZ PHE 8 -13.080 7.796 -2.587 61 H SER 9 H SER 9 -11.838 2.408 -0.468 62 HA SER 9 HA SER 9 -9.139 1.448 0.013 63 1HB SER 9 1HB SER 9 -10.228 3.465 1.102 64 2HB SER 9 2HB SER 9 -11.231 2.327 2.034 65 HG SER 9 HG SER 9 -9.034 1.339 2.502 66 H ASP 10 H ASP 10 -12.408 0.206 0.290 67 HA ASP 10 HA ASP 10 -11.928 -1.812 2.241 68 1HB ASP 10 1HB ASP 10 -14.130 -0.870 1.090 69 2HB ASP 10 2HB ASP 10 -13.852 -2.223 -0.028 70 H LEU 11 H LEU 11 -11.086 -1.496 -1.144 71 HA LEU 11 HA LEU 11 -10.578 -4.371 -1.450 72 1HB LEU 11 1HB LEU 11 -9.462 -3.044 -3.624 73 2HB LEU 11 2HB LEU 11 -11.103 -3.728 -3.548 74 HG LEU 11 HG LEU 11 -11.566 -1.516 -4.133 75 1HD1 LEU 11 1HD1 LEU 11 -11.379 -0.901 -1.205 76 2HD1 LEU 11 2HD1 LEU 11 -12.744 -0.691 -2.328 77 3HD1 LEU 11 3HD1 LEU 11 -12.361 -2.306 -1.685 78 1HD2 LEU 11 1HD2 LEU 11 -9.146 -0.831 -3.952 79 2HD2 LEU 11 2HD2 LEU 11 -10.287 0.412 -3.384 80 3HD2 LEU 11 3HD2 LEU 11 -9.397 -0.584 -2.207 81 H TRP 12 H TRP 12 -8.319 -2.184 -2.917 82 HA TRP 12 HA TRP 12 -5.971 -2.788 -2.787 83 1HB TRP 12 1HB TRP 12 -6.256 -0.979 -0.419 84 2HB TRP 12 2HB TRP 12 -5.123 -0.896 -1.775 85 HD1 TRP 12 HD TRP 12 -7.475 1.234 -0.470 86 HE1 TRP 12 1HE TRP 12 -8.802 2.593 -2.167 87 HE3 TRP 12 3HE TRP 12 -6.579 -1.590 -4.644 88 HZ2 TRP 12 2HZ TRP 12 -9.409 2.477 -4.994 89 HZ3 TRP 12 3HZ TRP 12 -7.547 -0.936 -6.817 90 HH2 TRP 12 HH TRP 12 -8.961 1.090 -7.009 91 H LYS 13 H LYS 13 -7.820 -3.155 0.237 92 HA LYS 13 HA LYS 13 -5.792 -4.151 1.896 93 1HB LYS 13 1HB LYS 13 -8.010 -3.593 2.727 94 2HB LYS 13 2HB LYS 13 -8.743 -4.874 1.731 95 1HG LYS 13 1HG LYS 13 -7.776 -6.600 3.025 96 2HG LYS 13 2HG LYS 13 -6.561 -5.510 3.734 97 1HD LYS 13 1HD LYS 13 -7.985 -4.787 5.357 98 2HD LYS 13 2HD LYS 13 -9.364 -4.698 4.235 99 1HE LYS 13 1HE LYS 13 -9.761 -7.065 4.407 100 2HE LYS 13 2HE LYS 13 -8.232 -7.321 5.275 101 1HZ LYS 13 1HZ LYS 13 -10.246 -7.274 6.664 102 2HZ LYS 13 2HZ LYS 13 -9.082 -6.199 7.121 103 3HZ LYS 13 3HZ LYS 13 -10.419 -5.671 6.314 104 H LEU 14 H LEU 14 -6.465 -5.287 -1.095 105 HA LEU 14 HA LEU 14 -6.066 -8.140 -0.360 106 1HB LEU 14 1HB LEU 14 -6.649 -8.486 -2.814 107 2HB LEU 14 2HB LEU 14 -7.960 -7.844 -1.796 108 HG LEU 14 HG LEU 14 -7.456 -6.705 -4.112 109 1HD1 LEU 14 1HD1 LEU 14 -8.069 -5.529 -1.431 110 2HD1 LEU 14 2HD1 LEU 14 -7.710 -4.383 -2.744 111 3HD1 LEU 14 3HD1 LEU 14 -9.046 -5.546 -2.919 112 1HD2 LEU 14 1HD2 LEU 14 -5.654 -5.235 -4.234 113 2HD2 LEU 14 2HD2 LEU 14 -5.536 -5.068 -2.466 114 3HD2 LEU 14 3HD2 LEU 14 -4.943 -6.546 -3.262 115 H LEU 15 H LEU 15 -4.607 -5.318 -1.848 116 HA LEU 15 HA LEU 15 -2.394 -6.957 -2.933 117 1HB LEU 15 1HB LEU 15 -2.314 -5.366 -4.513 118 2HB LEU 15 2HB LEU 15 -3.714 -4.576 -3.748 119 HG LEU 15 HG LEU 15 -1.984 -3.558 -2.100 120 1HD1 LEU 15 1HD1 LEU 15 -0.088 -4.080 -4.410 121 2HD1 LEU 15 2HD1 LEU 15 0.290 -3.485 -2.775 122 3HD1 LEU 15 3HD1 LEU 15 -0.184 -5.183 -3.016 123 1HD2 LEU 15 1HD2 LEU 15 -1.237 -2.221 -4.522 124 2HD2 LEU 15 2HD2 LEU 15 -2.912 -2.792 -4.712 125 3HD2 LEU 15 3HD2 LEU 15 -2.479 -1.744 -3.339 126 H LYS 16 H LYS 16 -3.299 -5.379 -0.082 127 HA LYS 16 HA LYS 16 -1.279 -3.915 0.914 128 1HB LYS 16 1HB LYS 16 -1.710 -6.031 2.820 129 2HB LYS 16 2HB LYS 16 -2.369 -4.377 2.820 130 1HG LYS 16 1HG LYS 16 -4.238 -5.920 2.787 131 2HG LYS 16 2HG LYS 16 -4.126 -5.167 1.178 132 1HD LYS 16 1HD LYS 16 -4.124 -7.283 0.364 133 2HD LYS 16 2HD LYS 16 -2.448 -7.376 0.957 134 1HE LYS 16 1HE LYS 16 -4.492 -7.828 3.043 135 2HE LYS 16 2HE LYS 16 -4.509 -9.040 1.744 136 1HZ LYS 16 1HZ LYS 16 -2.484 -9.760 2.301 137 2HZ LYS 16 2HZ LYS 16 -1.948 -8.298 2.844 138 3HZ LYS 16 3HZ LYS 16 -2.935 -9.218 3.792 139 H LYS 17 H LYS 17 -1.151 -7.528 1.004 140 HA LYS 17 HA LYS 17 1.410 -7.885 1.914 141 1HB LYS 17 1HB LYS 17 0.167 -9.832 1.522 142 2HB LYS 17 2HB LYS 17 -0.245 -9.353 -0.142 143 1HG LYS 17 1HG LYS 17 1.462 -10.722 -0.759 144 2HG LYS 17 2HG LYS 17 2.524 -9.405 -0.208 145 1HD LYS 17 1HD LYS 17 3.335 -10.747 1.409 146 2HD LYS 17 2HD LYS 17 1.702 -10.887 2.103 147 1HE LYS 17 1HE LYS 17 1.356 -12.943 1.191 148 2HE LYS 17 2HE LYS 17 2.147 -12.504 -0.339 149 1HZ LYS 17 1HZ LYS 17 3.168 -14.075 1.600 150 2HZ LYS 17 2HZ LYS 17 4.005 -13.405 0.348 151 3HZ LYS 17 3HZ LYS 17 3.967 -12.648 1.813 152 H TRP 18 H TRP 18 0.392 -6.795 -1.313 153 HA TRP 18 HA TRP 18 3.246 -6.672 -2.128 154 1HB TRP 18 1HB TRP 18 1.797 -5.955 -4.322 155 2HB TRP 18 2HB TRP 18 2.329 -7.602 -3.954 156 HD1 TRP 18 HD TRP 18 -0.645 -5.737 -4.863 157 HE1 TRP 18 1HE TRP 18 -2.792 -7.038 -4.431 158 HE3 TRP 18 3HE TRP 18 1.239 -9.429 -1.861 159 HZ2 TRP 18 2HZ TRP 18 -3.604 -9.395 -2.962 160 HZ3 TRP 18 3HZ TRP 18 -0.249 -11.182 -0.965 161 HH2 TRP 18 HH TRP 18 -2.667 -11.179 -1.504 162 H LYS 19 H LYS 19 0.631 -4.789 -0.944 163 HA LYS 19 HA LYS 19 1.659 -2.300 -2.157 164 1HB LYS 19 1HB LYS 19 -0.624 -2.116 -2.189 165 2HB LYS 19 2HB LYS 19 -0.839 -3.189 -0.785 166 1HG LYS 19 1HG LYS 19 -0.048 -1.403 0.719 167 2HG LYS 19 2HG LYS 19 0.221 -0.331 -0.676 168 1HD LYS 19 1HD LYS 19 -2.462 -1.419 -0.784 169 2HD LYS 19 2HD LYS 19 -2.180 -0.676 0.809 170 1HE LYS 19 1HE LYS 19 -1.142 1.294 -0.547 171 2HE LYS 19 2HE LYS 19 -1.991 0.584 -1.937 172 1HZ LYS 19 1HZ LYS 19 -3.580 0.875 0.415 173 2HZ LYS 19 2HZ LYS 19 -3.060 2.302 -0.228 174 3HZ LYS 19 3HZ LYS 19 -3.927 1.248 -1.153 175 H MET 20 H MET 20 2.443 -4.261 0.408 176 HA MET 20 HA MET 20 2.677 -2.361 2.541 177 1HB MET 20 1HB MET 20 3.318 -5.148 2.008 178 2HB MET 20 2HB MET 20 4.649 -4.343 2.872 179 1HG MET 20 1HG MET 20 3.050 -5.255 4.475 180 2HG MET 20 2HG MET 20 3.043 -3.484 4.539 181 1HE MET 20 1HE MET 20 0.315 -2.127 3.050 182 2HE MET 20 2HE MET 20 -0.121 -2.494 4.736 183 3HE MET 20 3HE MET 20 1.564 -2.104 4.318 184 H ARG 21 H ARG 21 4.793 -1.652 3.470 185 HA ARG 21 HA ARG 21 6.741 -0.468 3.280 186 1HB ARG 21 1HB ARG 21 7.284 -2.860 2.178 187 2HB ARG 21 2HB ARG 21 7.508 -1.841 0.735 188 1HG ARG 21 1HG ARG 21 9.323 -0.731 1.631 189 2HG ARG 21 2HG ARG 21 8.728 -0.885 3.301 190 1HD ARG 21 1HD ARG 21 9.221 -3.515 2.216 191 2HD ARG 21 2HD ARG 21 10.662 -2.504 1.972 192 HE ARG 21 HE ARG 21 10.065 -1.968 4.559 193 1HH1 ARG 21 2HH2 ARG 21 10.290 -4.991 2.739 194 2HH1 ARG 21 1HH2 ARG 21 10.799 -5.942 4.117 195 1HH2 ARG 21 2HH1 ARG 21 10.737 -3.225 6.379 196 2HH2 ARG 21 1HH1 ARG 21 11.053 -4.935 6.192 197 H ARG 22 H ARG 22 4.170 -0.037 1.445 198 HA ARG 22 HA ARG 22 5.387 1.689 -0.613 199 1HB ARG 22 1HB ARG 22 2.504 0.930 0.006 200 2HB ARG 22 2HB ARG 22 3.024 1.944 -1.362 201 1HG ARG 22 1HG ARG 22 4.257 -0.783 -0.928 202 2HG ARG 22 2HG ARG 22 2.685 -0.627 -1.748 203 1HD ARG 22 1HD ARG 22 4.070 -0.438 -3.582 204 2HD ARG 22 2HD ARG 22 4.005 1.271 -3.099 205 HE ARG 22 HE ARG 22 6.155 -0.171 -1.793 206 1HH1 ARG 22 2HH2 ARG 22 5.144 1.474 -4.755 207 2HH1 ARG 22 1HH2 ARG 22 6.773 1.882 -5.247 208 1HH2 ARG 22 2HH1 ARG 22 8.306 0.367 -2.444 209 2HH2 ARG 22 1HH1 ARG 22 8.575 1.250 -3.929 210 H ASN 23 H ASN 23 6.279 2.934 1.398 211 HA ASN 23 HA ASN 23 4.234 4.801 2.455 212 1HB ASN 23 1HB ASN 23 5.627 3.792 4.140 213 2HB ASN 23 2HB ASN 23 7.103 4.182 3.232 214 1HD2 ASN 23 1HD2 ASN 23 4.237 5.719 4.780 215 2HD2 ASN 23 2HD2 ASN 23 5.072 7.171 5.287 216 H GLN 24 H GLN 24 7.556 5.801 2.314 217 HA GLN 24 HA GLN 24 7.228 7.292 -0.185 218 1HB GLN 24 1HB GLN 24 6.319 8.475 2.159 219 2HB GLN 24 2HB GLN 24 7.977 9.105 2.001 220 1HG GLN 24 1HG GLN 24 7.412 9.614 -0.437 221 2HG GLN 24 2HG GLN 24 5.720 9.256 -0.029 222 1HE2 GLN 24 1HE2 GLN 24 5.831 11.672 -0.905 223 2HE2 GLN 24 2HE2 GLN 24 5.914 12.889 0.351 224 H PHE 25 H PHE 25 9.165 7.592 2.849 225 HA PHE 25 HA PHE 25 11.615 7.745 1.270 226 1HB PHE 25 1HB PHE 25 11.545 9.153 3.161 227 2HB PHE 25 2HB PHE 25 10.911 7.870 4.205 228 HD1 PHE 25 1HD PHE 25 12.560 5.689 4.235 229 HD2 PHE 25 2HD PHE 25 13.739 9.759 3.529 230 HE1 PHE 25 1HE PHE 25 14.865 5.150 4.974 231 HE2 PHE 25 2HE PHE 25 16.045 9.219 4.268 232 HZ PHE 25 HZ PHE 25 16.608 6.915 4.990 233 H TRP 26 H TRP 26 9.876 5.385 3.282 234 HA TRP 26 HA TRP 26 12.094 3.454 2.882 235 1HB TRP 26 1HB TRP 26 10.652 2.098 4.513 236 2HB TRP 26 2HB TRP 26 11.500 3.518 5.140 237 HD1 TRP 26 HD TRP 26 8.085 2.042 4.685 238 HE1 TRP 26 1HE TRP 26 6.301 3.540 5.715 239 HE3 TRP 26 3HE TRP 26 10.942 6.189 5.599 240 HZ2 TRP 26 2HZ TRP 26 6.124 6.215 6.805 241 HZ3 TRP 26 3HZ TRP 26 9.933 8.189 6.632 242 HH2 TRP 26 HH TRP 26 7.531 8.219 7.240 243 H VAL 27 H VAL 27 10.809 4.041 0.540 244 HA VAL 27 HA VAL 27 8.862 1.819 0.176 245 HB VAL 27 HB VAL 27 8.264 3.036 -1.919 246 1HG1 VAL 27 1HG1 VAL 27 7.587 5.248 -0.495 247 2HG1 VAL 27 2HG1 VAL 27 6.756 3.685 -0.315 248 3HG1 VAL 27 3HG1 VAL 27 8.028 4.154 0.838 249 1HG2 VAL 27 1HG2 VAL 27 10.416 4.896 -0.867 250 2HG2 VAL 27 2HG2 VAL 27 10.239 4.212 -2.501 251 3HG2 VAL 27 3HG2 VAL 27 9.126 5.485 -1.944 252 H LYS 28 H LYS 28 10.329 0.099 -0.025 253 HA LYS 28 HA LYS 28 11.375 -1.350 -1.542 254 1HB LYS 28 1HB LYS 28 10.728 0.581 -3.287 255 2HB LYS 28 2HB LYS 28 12.480 0.882 -3.203 256 1HG LYS 28 1HG LYS 28 12.319 -1.894 -3.359 257 2HG LYS 28 2HG LYS 28 11.015 -1.350 -4.441 258 1HD LYS 28 1HD LYS 28 12.620 0.159 -5.594 259 2HD LYS 28 2HD LYS 28 13.920 -0.430 -4.531 260 1HE LYS 28 1HE LYS 28 12.550 -2.700 -5.640 261 2HE LYS 28 2HE LYS 28 12.955 -1.588 -6.966 262 1HZ LYS 28 1HZ LYS 28 15.163 -1.754 -6.505 263 2HZ LYS 28 2HZ LYS 28 14.945 -2.266 -4.952 264 3HZ LYS 28 3HZ LYS 28 14.654 -3.294 -6.208 265 H VAL 29 H VAL 29 12.403 -0.691 0.847 266 HA VAL 29 HA VAL 29 15.153 0.298 0.444 267 HB VAL 29 HB VAL 29 13.694 -0.577 2.968 268 1HG1 VAL 29 1HG1 VAL 29 15.658 -0.242 4.024 269 2HG1 VAL 29 2HG1 VAL 29 16.436 -0.085 2.431 270 3HG1 VAL 29 3HG1 VAL 29 15.832 1.362 3.273 271 1HG2 VAL 29 1HG2 VAL 29 12.515 1.319 2.191 272 2HG2 VAL 29 2HG2 VAL 29 13.732 2.008 3.292 273 3HG2 VAL 29 3HG2 VAL 29 13.985 2.075 1.532 274 H GLN 30 H GLN 30 14.189 -2.282 -0.720 275 HA GLN 30 HA GLN 30 14.911 -4.443 -0.934 276 1HB GLN 30 1HB GLN 30 17.181 -2.800 -0.383 277 2HB GLN 30 2HB GLN 30 17.404 -4.334 0.492 278 1HG GLN 30 1HG GLN 30 16.823 -5.556 -1.627 279 2HG GLN 30 2HG GLN 30 16.784 -3.991 -2.469 280 1HE2 GLN 30 1HE2 GLN 30 18.571 -3.822 -3.706 281 2HE2 GLN 30 2HE2 GLN 30 20.201 -4.195 -3.188 282 H ARG 31 H ARG 31 16.163 -6.288 0.532 283 HA ARG 31 HA ARG 31 15.791 -7.747 2.259 284 1HB ARG 31 1HB ARG 31 15.844 -5.088 3.728 285 2HB ARG 31 2HB ARG 31 15.790 -6.661 4.560 286 1HG ARG 31 1HG ARG 31 17.898 -5.887 2.501 287 2HG ARG 31 2HG ARG 31 18.123 -5.750 4.262 288 1HD ARG 31 1HD ARG 31 17.078 -8.368 3.623 289 2HD ARG 31 2HD ARG 31 18.510 -8.046 2.622 290 HE ARG 31 HE ARG 31 19.107 -7.260 5.274 291 1HH1 ARG 31 2HH2 ARG 31 18.375 -10.169 3.402 292 2HH1 ARG 31 1HH2 ARG 31 19.311 -11.231 4.430 293 1HH2 ARG 31 2HH1 ARG 31 20.343 -8.664 6.632 294 2HH2 ARG 31 1HH1 ARG 31 20.433 -10.373 6.271 295 H GLY 32 H GLY 32 13.695 -8.278 1.253 296 1HA GLY 32 1HA GLY 32 11.615 -8.596 2.998 297 2HA GLY 32 2HA GLY 32 11.300 -6.994 2.293 Start of MODEL 4 1 HA PRO 1 HA PRO 1 -13.284 7.188 -9.176 2 1HB PRO 1 1HB PRO 1 -13.572 5.735 -6.889 3 2HB PRO 1 2HB PRO 1 -14.159 5.132 -8.473 4 1HG PRO 1 1HG PRO 1 -11.516 4.499 -7.130 5 2HG PRO 1 2HG PRO 1 -12.714 3.331 -7.778 6 1HD PRO 1 1HD PRO 1 -10.564 4.127 -9.252 7 2HD PRO 1 2HD PRO 1 -12.165 3.913 -10.024 8 HA PRO 2 HA PRO 2 -10.236 9.562 -6.906 9 1HB PRO 2 1HB PRO 2 -11.733 11.821 -6.626 10 2HB PRO 2 2HB PRO 2 -11.065 11.321 -8.214 11 1HG PRO 2 1HG PRO 2 -13.845 10.773 -7.135 12 2HG PRO 2 2HG PRO 2 -13.416 11.502 -8.717 13 1HD PRO 2 1HD PRO 2 -13.949 8.840 -8.476 14 2HD PRO 2 2HD PRO 2 -12.628 9.407 -9.542 15 H LEU 3 H LEU 3 -10.740 7.772 -5.235 16 HA LEU 3 HA LEU 3 -11.127 8.804 -2.728 17 1HB LEU 3 1HB LEU 3 -13.701 8.427 -4.150 18 2HB LEU 3 2HB LEU 3 -13.628 7.708 -2.523 19 HG LEU 3 HG LEU 3 -12.427 10.402 -2.685 20 1HD1 LEU 3 1HD1 LEU 3 -14.211 11.627 -3.405 21 2HD1 LEU 3 2HD1 LEU 3 -14.679 10.124 -4.236 22 3HD1 LEU 3 3HD1 LEU 3 -15.391 10.525 -2.655 23 1HD2 LEU 3 1HD2 LEU 3 -13.042 10.374 -0.506 24 2HD2 LEU 3 2HD2 LEU 3 -14.723 9.950 -0.911 25 3HD2 LEU 3 3HD2 LEU 3 -13.493 8.672 -0.766 26 H SER 4 H SER 4 -10.587 7.252 -1.263 27 HA SER 4 HA SER 4 -11.342 4.499 -1.539 28 1HB SER 4 1HB SER 4 -9.769 3.920 -3.066 29 2HB SER 4 2HB SER 4 -8.836 5.415 -2.812 30 HG SER 4 HG SER 4 -7.720 3.556 -2.080 31 H GLN 5 H GLN 5 -11.928 4.691 0.623 32 HA GLN 5 HA GLN 5 -10.244 3.937 2.614 33 1HB GLN 5 1HB GLN 5 -9.783 6.238 3.747 34 2HB GLN 5 2HB GLN 5 -8.722 5.716 2.416 35 1HG GLN 5 1HG GLN 5 -9.410 7.400 1.068 36 2HG GLN 5 2HG GLN 5 -11.119 7.137 1.478 37 1HE2 GLN 5 1HE2 GLN 5 -11.348 9.486 1.508 38 2HE2 GLN 5 2HE2 GLN 5 -10.841 10.391 2.919 39 H GLU 6 H GLU 6 -12.878 6.013 1.572 40 HA GLU 6 HA GLU 6 -14.296 5.343 4.107 41 1HB GLU 6 1HB GLU 6 -15.448 7.521 3.913 42 2HB GLU 6 2HB GLU 6 -13.688 7.729 4.071 43 1HG GLU 6 1HG GLU 6 -13.446 8.487 1.919 44 2HG GLU 6 2HG GLU 6 -14.753 7.458 1.296 45 H THR 7 H THR 7 -14.562 3.478 2.284 46 HA THR 7 HA THR 7 -17.273 3.357 1.672 47 HB THR 7 HB THR 7 -15.853 5.080 -0.147 48 HG1 THR 7 1HG THR 7 -17.900 5.523 -0.708 49 1HG2 THR 7 1HG2 THR 7 -17.107 3.572 -2.107 50 2HG2 THR 7 2HG2 THR 7 -15.352 3.617 -1.810 51 3HG2 THR 7 3HG2 THR 7 -16.343 2.327 -1.089 52 H PHE 8 H PHE 8 -14.672 2.708 -0.704 53 HA PHE 8 HA PHE 8 -15.279 -0.167 -0.466 54 1HB PHE 8 1HB PHE 8 -13.287 0.162 -2.367 55 2HB PHE 8 2HB PHE 8 -15.028 0.050 -2.679 56 HD1 PHE 8 1HD PHE 8 -13.017 2.833 -1.171 57 HD2 PHE 8 2HD PHE 8 -15.463 1.510 -4.445 58 HE1 PHE 8 1HE PHE 8 -12.998 5.128 -2.112 59 HE2 PHE 8 2HE PHE 8 -15.444 3.805 -5.386 60 HZ PHE 8 HZ PHE 8 -14.211 5.613 -4.220 61 H SER 9 H SER 9 -13.098 2.140 0.796 62 HA SER 9 HA SER 9 -10.624 1.394 1.002 63 1HB SER 9 1HB SER 9 -12.031 2.736 2.716 64 2HB SER 9 2HB SER 9 -12.189 1.190 3.584 65 HG SER 9 HG SER 9 -10.172 1.310 4.150 66 H ASP 10 H ASP 10 -13.262 -0.743 2.131 67 HA ASP 10 HA ASP 10 -11.972 -2.789 3.363 68 1HB ASP 10 1HB ASP 10 -13.588 -4.173 1.601 69 2HB ASP 10 2HB ASP 10 -14.121 -3.433 3.127 70 H LEU 11 H LEU 11 -12.015 -2.190 -0.178 71 HA LEU 11 HA LEU 11 -10.458 -4.506 -0.832 72 1HB LEU 11 1HB LEU 11 -10.011 -2.875 -2.920 73 2HB LEU 11 2HB LEU 11 -11.562 -3.717 -2.686 74 HG LEU 11 HG LEU 11 -11.617 -1.154 -3.149 75 1HD1 LEU 11 1HD1 LEU 11 -13.725 -1.501 -2.435 76 2HD1 LEU 11 2HD1 LEU 11 -13.185 -2.909 -1.490 77 3HD1 LEU 11 3HD1 LEU 11 -13.179 -1.288 -0.754 78 1HD2 LEU 11 1HD2 LEU 11 -11.392 0.207 -1.067 79 2HD2 LEU 11 2HD2 LEU 11 -10.775 -1.231 -0.220 80 3HD2 LEU 11 3HD2 LEU 11 -9.849 -0.527 -1.567 81 H TRP 12 H TRP 12 -9.004 -1.816 -2.292 82 HA TRP 12 HA TRP 12 -6.631 -1.582 -2.291 83 1HB TRP 12 1HB TRP 12 -7.228 -0.193 0.294 84 2HB TRP 12 2HB TRP 12 -6.288 0.365 -1.097 85 HD1 TRP 12 HD TRP 12 -9.088 1.483 0.584 86 HE1 TRP 12 1HE TRP 12 -10.880 2.561 -0.870 87 HE3 TRP 12 3HE TRP 12 -7.651 -0.364 -3.968 88 HZ2 TRP 12 2HZ TRP 12 -11.610 2.620 -3.670 89 HZ3 TRP 12 3HZ TRP 12 -8.917 0.225 -6.002 90 HH2 TRP 12 HH TRP 12 -10.894 1.712 -5.871 91 H LYS 13 H LYS 13 -7.988 -2.749 0.798 92 HA LYS 13 HA LYS 13 -5.643 -3.246 2.215 93 1HB LYS 13 1HB LYS 13 -7.844 -3.549 3.194 94 2HB LYS 13 2HB LYS 13 -8.215 -4.863 2.053 95 1HG LYS 13 1HG LYS 13 -6.904 -6.385 3.169 96 2HG LYS 13 2HG LYS 13 -5.710 -5.158 3.653 97 1HD LYS 13 1HD LYS 13 -8.416 -4.827 4.839 98 2HD LYS 13 2HD LYS 13 -7.530 -6.279 5.364 99 1HE LYS 13 1HE LYS 13 -5.626 -4.938 6.050 100 2HE LYS 13 2HE LYS 13 -6.356 -3.471 5.363 101 1HZ LYS 13 1HZ LYS 13 -8.236 -4.340 7.030 102 2HZ LYS 13 2HZ LYS 13 -6.868 -4.770 7.846 103 3HZ LYS 13 3HZ LYS 13 -7.105 -3.199 7.402 104 H LEU 14 H LEU 14 -6.462 -4.431 -0.840 105 HA LEU 14 HA LEU 14 -5.148 -7.030 -0.545 106 1HB LEU 14 1HB LEU 14 -5.455 -6.868 -3.158 107 2HB LEU 14 2HB LEU 14 -6.871 -7.125 -2.109 108 HG LEU 14 HG LEU 14 -7.173 -5.315 -3.860 109 1HD1 LEU 14 1HD1 LEU 14 -7.425 -3.670 -1.497 110 2HD1 LEU 14 2HD1 LEU 14 -8.699 -4.517 -2.407 111 3HD1 LEU 14 3HD1 LEU 14 -7.841 -5.352 -1.089 112 1HD2 LEU 14 1HD2 LEU 14 -5.802 -3.489 -3.959 113 2HD2 LEU 14 2HD2 LEU 14 -5.597 -3.423 -2.192 114 3HD2 LEU 14 3HD2 LEU 14 -4.637 -4.569 -3.157 115 H LEU 15 H LEU 15 -4.505 -3.839 -2.062 116 HA LEU 15 HA LEU 15 -2.006 -4.545 -3.215 117 1HB LEU 15 1HB LEU 15 -3.512 -2.062 -2.565 118 2HB LEU 15 2HB LEU 15 -1.749 -1.884 -2.730 119 HG LEU 15 HG LEU 15 -3.446 -1.809 -4.847 120 1HD1 LEU 15 1HD1 LEU 15 -1.341 -1.311 -5.544 121 2HD1 LEU 15 2HD1 LEU 15 -0.598 -2.461 -4.406 122 3HD1 LEU 15 3HD1 LEU 15 -1.232 -3.037 -5.966 123 1HD2 LEU 15 1HD2 LEU 15 -2.451 -4.518 -5.375 124 2HD2 LEU 15 2HD2 LEU 15 -3.611 -4.479 -4.025 125 3HD2 LEU 15 3HD2 LEU 15 -4.079 -3.840 -5.619 126 H LYS 16 H LYS 16 -2.993 -4.025 0.065 127 HA LYS 16 HA LYS 16 -0.752 -2.961 1.296 128 1HB LYS 16 1HB LYS 16 -2.415 -3.369 2.818 129 2HB LYS 16 2HB LYS 16 -2.888 -4.905 2.052 130 1HG LYS 16 1HG LYS 16 -0.176 -4.739 3.335 131 2HG LYS 16 2HG LYS 16 -1.600 -4.857 4.397 132 1HD LYS 16 1HD LYS 16 -0.634 -6.808 2.290 133 2HD LYS 16 2HD LYS 16 -1.022 -7.113 4.000 134 1HE LYS 16 1HE LYS 16 -3.427 -6.245 3.238 135 2HE LYS 16 2HE LYS 16 -2.859 -6.786 1.644 136 1HZ LYS 16 1HZ LYS 16 -3.048 -8.400 4.085 137 2HZ LYS 16 2HZ LYS 16 -3.962 -8.548 2.720 138 3HZ LYS 16 3HZ LYS 16 -2.355 -8.919 2.682 139 H LYS 17 H LYS 17 -1.361 -6.505 0.938 140 HA LYS 17 HA LYS 17 1.122 -7.420 1.733 141 1HB LYS 17 1HB LYS 17 -0.554 -9.027 1.308 142 2HB LYS 17 2HB LYS 17 -0.853 -8.413 -0.336 143 1HG LYS 17 1HG LYS 17 0.454 -10.254 -0.849 144 2HG LYS 17 2HG LYS 17 1.734 -9.035 -0.639 145 1HD LYS 17 1HD LYS 17 2.091 -9.747 1.672 146 2HD LYS 17 2HD LYS 17 0.726 -10.884 1.564 147 1HE LYS 17 1HE LYS 17 1.958 -11.994 -0.371 148 2HE LYS 17 2HE LYS 17 3.361 -10.990 0.052 149 1HZ LYS 17 1HZ LYS 17 2.068 -12.589 2.104 150 2HZ LYS 17 2HZ LYS 17 3.099 -13.317 1.041 151 3HZ LYS 17 3HZ LYS 17 3.635 -12.085 1.998 152 H TRP 18 H TRP 18 0.263 -5.703 -1.204 153 HA TRP 18 HA TRP 18 3.028 -6.160 -2.221 154 1HB TRP 18 1HB TRP 18 1.630 -5.076 -4.307 155 2HB TRP 18 2HB TRP 18 1.916 -6.804 -4.058 156 HD1 TRP 18 HD TRP 18 -0.775 -4.404 -4.624 157 HE1 TRP 18 1HE TRP 18 -3.075 -5.407 -4.188 158 HE3 TRP 18 3HE TRP 18 0.651 -8.647 -2.141 159 HZ2 TRP 18 2HZ TRP 18 -4.174 -7.763 -2.917 160 HZ3 TRP 18 3HZ TRP 18 -1.048 -10.243 -1.334 161 HH2 TRP 18 HH TRP 18 -3.459 -9.818 -1.713 162 H LYS 19 H LYS 19 0.873 -3.935 -0.780 163 HA LYS 19 HA LYS 19 2.331 -1.607 -1.900 164 1HB LYS 19 1HB LYS 19 -0.221 -1.720 -1.830 165 2HB LYS 19 2HB LYS 19 -0.082 -1.597 -0.059 166 1HG LYS 19 1HG LYS 19 1.608 0.418 -0.940 167 2HG LYS 19 2HG LYS 19 0.287 0.473 -2.131 168 1HD LYS 19 1HD LYS 19 -1.370 0.724 -0.389 169 2HD LYS 19 2HD LYS 19 -0.162 0.407 0.880 170 1HE LYS 19 1HE LYS 19 -0.421 2.774 0.841 171 2HE LYS 19 2HE LYS 19 1.098 2.453 -0.024 172 1HZ LYS 19 1HZ LYS 19 -0.549 4.026 -1.055 173 2HZ LYS 19 2HZ LYS 19 0.096 2.862 -2.029 174 3HZ LYS 19 3HZ LYS 19 -1.438 2.694 -1.447 175 H MET 20 H MET 20 2.684 -3.801 0.545 176 HA MET 20 HA MET 20 3.119 -2.128 2.823 177 1HB MET 20 1HB MET 20 2.944 -4.801 2.417 178 2HB MET 20 2HB MET 20 4.714 -4.626 2.503 179 1HG MET 20 1HG MET 20 4.320 -4.801 4.742 180 2HG MET 20 2HG MET 20 4.040 -3.059 4.580 181 1HE MET 20 1HE MET 20 0.586 -2.395 5.525 182 2HE MET 20 2HE MET 20 2.247 -1.870 5.157 183 3HE MET 20 3HE MET 20 1.139 -2.309 3.835 184 H ARG 21 H ARG 21 5.283 -1.800 3.858 185 HA ARG 21 HA ARG 21 7.393 -0.917 3.817 186 1HB ARG 21 1HB ARG 21 7.605 -3.206 2.406 187 2HB ARG 21 2HB ARG 21 8.021 -2.043 1.123 188 1HG ARG 21 1HG ARG 21 9.798 -1.093 2.466 189 2HG ARG 21 2HG ARG 21 9.298 -2.040 3.888 190 1HD ARG 21 1HD ARG 21 11.265 -3.039 2.728 191 2HD ARG 21 2HD ARG 21 9.859 -4.126 2.741 192 HE ARG 21 HE ARG 21 10.098 -2.434 0.359 193 1HH1 ARG 21 2HH2 ARG 21 10.862 -5.511 1.924 194 2HH1 ARG 21 1HH2 ARG 21 11.114 -6.370 0.421 195 1HH2 ARG 21 2HH1 ARG 21 10.432 -3.568 -1.626 196 2HH2 ARG 21 1HH1 ARG 21 10.869 -5.262 -1.603 197 H ARG 22 H ARG 22 4.935 0.044 1.985 198 HA ARG 22 HA ARG 22 6.457 1.896 0.254 199 1HB ARG 22 1HB ARG 22 3.482 1.310 0.524 200 2HB ARG 22 2HB ARG 22 4.201 2.444 -0.645 201 1HG ARG 22 1HG ARG 22 5.346 -0.320 -0.554 202 2HG ARG 22 2HG ARG 22 3.717 -0.143 -1.249 203 1HD ARG 22 1HD ARG 22 5.015 0.238 -3.133 204 2HD ARG 22 2HD ARG 22 4.839 1.898 -2.524 205 HE ARG 22 HE ARG 22 7.174 0.477 -1.490 206 1HH1 ARG 22 2HH2 ARG 22 5.841 2.511 -4.056 207 2HH1 ARG 22 1HH2 ARG 22 7.394 3.154 -4.541 208 1HH2 ARG 22 2HH1 ARG 22 9.225 1.326 -2.130 209 2HH2 ARG 22 1HH1 ARG 22 9.324 2.478 -3.443 210 H ASN 23 H ASN 23 7.248 2.779 2.486 211 HA ASN 23 HA ASN 23 5.253 4.631 3.652 212 1HB ASN 23 1HB ASN 23 6.412 3.397 5.312 213 2HB ASN 23 2HB ASN 23 7.978 3.620 4.502 214 1HD2 ASN 23 1HD2 ASN 23 5.276 5.570 5.898 215 2HD2 ASN 23 2HD2 ASN 23 6.305 6.787 6.623 216 H GLN 24 H GLN 24 8.700 5.299 3.689 217 HA GLN 24 HA GLN 24 8.537 7.222 1.491 218 1HB GLN 24 1HB GLN 24 7.692 8.117 3.945 219 2HB GLN 24 2HB GLN 24 9.429 8.500 4.007 220 1HG GLN 24 1HG GLN 24 8.635 9.216 1.409 221 2HG GLN 24 2HG GLN 24 7.300 9.757 2.449 222 1HE2 GLN 24 1HE2 GLN 24 7.505 11.719 3.371 223 2HE2 GLN 24 2HE2 GLN 24 9.016 12.562 3.640 224 H PHE 25 H PHE 25 10.444 6.602 4.499 225 HA PHE 25 HA PHE 25 12.931 6.899 2.997 226 1HB PHE 25 1HB PHE 25 13.013 7.773 5.171 227 2HB PHE 25 2HB PHE 25 12.162 6.384 5.867 228 HD1 PHE 25 1HD PHE 25 13.485 4.043 5.379 229 HD2 PHE 25 2HD PHE 25 15.255 7.945 5.686 230 HE1 PHE 25 1HE PHE 25 15.658 3.010 5.977 231 HE2 PHE 25 2HE PHE 25 17.428 6.912 6.284 232 HZ PHE 25 HZ PHE 25 17.630 4.444 6.430 233 H TRP 26 H TRP 26 10.860 4.313 4.244 234 HA TRP 26 HA TRP 26 12.878 2.324 3.332 235 1HB TRP 26 1HB TRP 26 11.446 0.736 4.669 236 2HB TRP 26 2HB TRP 26 12.314 1.961 5.604 237 HD1 TRP 26 HD TRP 26 8.870 0.700 4.801 238 HE1 TRP 26 1HE TRP 26 7.110 1.935 6.166 239 HE3 TRP 26 3HE TRP 26 11.807 4.429 6.715 240 HZ2 TRP 26 2HZ TRP 26 6.982 4.261 7.884 241 HZ3 TRP 26 3HZ TRP 26 10.832 6.134 8.209 242 HH2 TRP 26 HH TRP 26 8.428 6.065 8.802 243 H VAL 27 H VAL 27 11.690 3.540 1.246 244 HA VAL 27 HA VAL 27 9.500 1.682 0.447 245 HB VAL 27 HB VAL 27 8.903 3.471 -1.195 246 1HG1 VAL 27 1HG1 VAL 27 8.405 5.215 0.814 247 2HG1 VAL 27 2HG1 VAL 27 7.511 3.688 0.624 248 3HG1 VAL 27 3HG1 VAL 27 8.861 3.790 1.779 249 1HG2 VAL 27 1HG2 VAL 27 9.931 5.781 -0.523 250 2HG2 VAL 27 2HG2 VAL 27 11.238 4.807 0.192 251 3HG2 VAL 27 3HG2 VAL 27 10.889 4.688 -1.549 252 H LYS 28 H LYS 28 10.834 0.008 -0.312 253 HA LYS 28 HA LYS 28 11.723 -1.031 -2.207 254 1HB LYS 28 1HB LYS 28 11.095 1.382 -3.300 255 2HB LYS 28 2HB LYS 28 12.872 1.443 -3.387 256 1HG LYS 28 1HG LYS 28 12.924 -0.706 -4.559 257 2HG LYS 28 2HG LYS 28 11.161 -0.873 -4.388 258 1HD LYS 28 1HD LYS 28 10.888 1.258 -5.693 259 2HD LYS 28 2HD LYS 28 12.648 1.274 -5.958 260 1HE LYS 28 1HE LYS 28 11.936 -1.316 -6.664 261 2HE LYS 28 2HE LYS 28 10.561 -0.355 -7.249 262 1HZ LYS 28 1HZ LYS 28 13.383 0.178 -7.855 263 2HZ LYS 28 2HZ LYS 28 12.305 -0.543 -8.874 264 3HZ LYS 28 3HZ LYS 28 12.090 1.029 -8.424 265 H VAL 29 H VAL 29 12.953 -1.044 0.173 266 HA VAL 29 HA VAL 29 15.704 -0.044 -0.170 267 HB VAL 29 HB VAL 29 14.569 -1.651 2.139 268 1HG1 VAL 29 1HG1 VAL 29 16.807 0.404 1.881 269 2HG1 VAL 29 2HG1 VAL 29 16.327 -0.423 3.383 270 3HG1 VAL 29 3HG1 VAL 29 17.022 -1.357 2.036 271 1HG2 VAL 29 1HG2 VAL 29 14.437 1.343 1.592 272 2HG2 VAL 29 2HG2 VAL 29 13.065 0.231 1.815 273 3HG2 VAL 29 3HG2 VAL 29 14.138 0.606 3.184 274 H GLN 30 H GLN 30 14.559 -2.183 -1.918 275 HA GLN 30 HA GLN 30 15.000 -4.361 -2.576 276 1HB GLN 30 1HB GLN 30 17.740 -3.217 -1.921 277 2HB GLN 30 2HB GLN 30 17.480 -4.711 -2.853 278 1HG GLN 30 1HG GLN 30 15.756 -2.761 -3.981 279 2HG GLN 30 2HG GLN 30 17.318 -1.951 -3.732 280 1HE2 GLN 30 1HE2 GLN 30 18.909 -2.279 -5.201 281 2HE2 GLN 30 2HE2 GLN 30 18.908 -3.536 -6.420 282 H ARG 31 H ARG 31 13.956 -5.563 -0.926 283 HA ARG 31 HA ARG 31 15.875 -6.860 0.934 284 1HB ARG 31 1HB ARG 31 14.077 -4.985 1.804 285 2HB ARG 31 2HB ARG 31 13.119 -6.478 1.954 286 1HG ARG 31 1HG ARG 31 15.946 -6.625 2.900 287 2HG ARG 31 2HG ARG 31 14.843 -5.622 3.872 288 1HD ARG 31 1HD ARG 31 13.470 -7.420 4.420 289 2HD ARG 31 2HD ARG 31 13.928 -8.345 2.974 290 HE ARG 31 HE ARG 31 16.094 -7.916 4.899 291 1HH1 ARG 31 2HH2 ARG 31 13.423 -9.971 3.828 292 2HH1 ARG 31 1HH2 ARG 31 14.055 -11.419 4.580 293 1HH2 ARG 31 2HH1 ARG 31 16.928 -9.829 5.893 294 2HH2 ARG 31 1HH1 ARG 31 16.053 -11.337 5.757 295 H GLY 32 H GLY 32 15.971 -8.757 -0.255 296 1HA GLY 32 1HA GLY 32 13.512 -10.011 -1.217 297 2HA GLY 32 2HA GLY 32 15.169 -10.641 -1.361 Start of MODEL 5 1 HA PRO 1 HA PRO 1 -2.696 7.579 -2.467 2 1HB PRO 1 1HB PRO 1 -3.550 5.615 -0.782 3 2HB PRO 1 2HB PRO 1 -1.973 5.513 -1.631 4 1HG PRO 1 1HG PRO 1 -2.481 6.509 1.187 5 2HG PRO 1 2HG PRO 1 -1.297 5.265 0.669 6 1HD PRO 1 1HD PRO 1 -0.564 7.867 1.017 7 2HD PRO 1 2HD PRO 1 0.091 6.915 -0.350 8 HA PRO 2 HA PRO 2 -6.342 9.459 -0.868 9 1HB PRO 2 1HB PRO 2 -8.360 7.767 -1.569 10 2HB PRO 2 2HB PRO 2 -7.354 8.601 -2.799 11 1HG PRO 2 1HG PRO 2 -6.979 5.795 -1.713 12 2HG PRO 2 2HG PRO 2 -7.075 6.292 -3.434 13 1HD PRO 2 1HD PRO 2 -4.677 5.956 -2.183 14 2HD PRO 2 2HD PRO 2 -4.921 7.310 -3.329 15 H LEU 3 H LEU 3 -5.139 8.766 1.312 16 HA LEU 3 HA LEU 3 -5.459 8.178 3.501 17 1HB LEU 3 1HB LEU 3 -8.290 7.729 2.491 18 2HB LEU 3 2HB LEU 3 -7.819 7.572 4.200 19 HG LEU 3 HG LEU 3 -8.735 9.873 3.367 20 1HD1 LEU 3 1HD1 LEU 3 -7.866 9.822 5.551 21 2HD1 LEU 3 2HD1 LEU 3 -6.238 9.365 4.996 22 3HD1 LEU 3 3HD1 LEU 3 -6.827 11.027 4.752 23 1HD2 LEU 3 1HD2 LEU 3 -5.837 10.085 2.454 24 2HD2 LEU 3 2HD2 LEU 3 -7.211 9.862 1.344 25 3HD2 LEU 3 3HD2 LEU 3 -7.100 11.335 2.338 26 H SER 4 H SER 4 -4.724 6.390 4.505 27 HA SER 4 HA SER 4 -5.777 3.756 3.793 28 1HB SER 4 1HB SER 4 -4.183 3.367 2.240 29 2HB SER 4 2HB SER 4 -3.239 4.796 2.727 30 HG SER 4 HG SER 4 -2.864 2.208 3.359 31 H GLN 5 H GLN 5 -6.172 2.925 5.754 32 HA GLN 5 HA GLN 5 -3.998 2.940 7.742 33 1HB GLN 5 1HB GLN 5 -6.780 4.064 8.248 34 2HB GLN 5 2HB GLN 5 -5.590 3.695 9.520 35 1HG GLN 5 1HG GLN 5 -3.995 5.187 8.022 36 2HG GLN 5 2HG GLN 5 -5.528 5.835 7.399 37 1HE2 GLN 5 1HE2 GLN 5 -7.012 6.874 8.875 38 2HE2 GLN 5 2HE2 GLN 5 -6.436 7.545 10.386 39 H GLU 6 H GLU 6 -7.294 2.357 8.722 40 HA GLU 6 HA GLU 6 -6.749 -0.572 8.587 41 1HB GLU 6 1HB GLU 6 -8.098 -0.782 10.599 42 2HB GLU 6 2HB GLU 6 -6.828 0.433 10.879 43 1HG GLU 6 1HG GLU 6 -8.372 2.016 11.291 44 2HG GLU 6 2HG GLU 6 -9.150 1.709 9.723 45 H THR 7 H THR 7 -7.800 0.770 6.341 46 HA THR 7 HA THR 7 -10.285 -0.685 6.039 47 HB THR 7 HB THR 7 -10.280 2.244 6.589 48 HG1 THR 7 1HG THR 7 -12.150 0.113 6.746 49 1HG2 THR 7 1HG2 THR 7 -11.187 2.815 4.600 50 2HG2 THR 7 2HG2 THR 7 -11.263 1.114 4.082 51 3HG2 THR 7 3HG2 THR 7 -12.591 1.812 5.040 52 H PHE 8 H PHE 8 -9.720 2.344 4.338 53 HA PHE 8 HA PHE 8 -9.728 1.222 1.788 54 1HB PHE 8 1HB PHE 8 -8.141 3.435 1.482 55 2HB PHE 8 2HB PHE 8 -9.912 3.449 1.539 56 HD1 PHE 8 1HD PHE 8 -7.569 2.848 4.382 57 HD2 PHE 8 2HD PHE 8 -10.346 5.548 2.527 58 HE1 PHE 8 1HE PHE 8 -7.493 4.303 6.389 59 HE2 PHE 8 2HE PHE 8 -10.271 7.004 4.534 60 HZ PHE 8 HZ PHE 8 -8.844 6.381 6.464 61 H SER 9 H SER 9 -7.254 1.128 4.206 62 HA SER 9 HA SER 9 -5.035 0.780 2.366 63 1HB SER 9 1HB SER 9 -4.894 1.680 4.737 64 2HB SER 9 2HB SER 9 -5.199 0.020 5.303 65 HG SER 9 HG SER 9 -2.997 0.327 5.163 66 H ASP 10 H ASP 10 -7.507 -1.228 3.824 67 HA ASP 10 HA ASP 10 -6.153 -3.734 3.654 68 1HB ASP 10 1HB ASP 10 -8.475 -2.898 4.740 69 2HB ASP 10 2HB ASP 10 -9.104 -3.591 3.228 70 H LEU 11 H LEU 11 -7.652 -1.634 1.290 71 HA LEU 11 HA LEU 11 -7.868 -3.773 -0.710 72 1HB LEU 11 1HB LEU 11 -8.245 -1.334 -1.990 73 2HB LEU 11 2HB LEU 11 -9.526 -2.361 -1.301 74 HG LEU 11 HG LEU 11 -9.937 -0.333 -0.218 75 1HD1 LEU 11 1HD1 LEU 11 -9.074 -2.379 1.313 76 2HD1 LEU 11 2HD1 LEU 11 -7.841 -1.173 1.751 77 3HD1 LEU 11 3HD1 LEU 11 -9.566 -0.815 2.006 78 1HD2 LEU 11 1HD2 LEU 11 -6.932 0.060 0.107 79 2HD2 LEU 11 2HD2 LEU 11 -7.898 0.764 -1.212 80 3HD2 LEU 11 3HD2 LEU 11 -8.213 1.240 0.474 81 H TRP 12 H TRP 12 -6.798 -0.644 -1.781 82 HA TRP 12 HA TRP 12 -5.034 -0.624 -3.458 83 1HB TRP 12 1HB TRP 12 -3.477 -0.298 -0.922 84 2HB TRP 12 2HB TRP 12 -3.489 0.707 -2.378 85 HD1 TRP 12 HD TRP 12 -4.146 1.251 0.955 86 HE1 TRP 12 1HE TRP 12 -6.049 2.869 1.453 87 HE3 TRP 12 3HE TRP 12 -6.504 1.146 -3.587 88 HZ2 TRP 12 2HZ TRP 12 -8.323 3.989 0.057 89 HZ3 TRP 12 3HZ TRP 12 -8.532 2.500 -3.964 90 HH2 TRP 12 HH TRP 12 -9.453 3.922 -2.157 91 H LYS 13 H LYS 13 -4.516 -2.831 -0.706 92 HA LYS 13 HA LYS 13 -2.062 -3.944 -1.405 93 1HB LYS 13 1HB LYS 13 -3.549 -4.407 0.628 94 2HB LYS 13 2HB LYS 13 -4.433 -5.553 -0.407 95 1HG LYS 13 1HG LYS 13 -1.784 -6.216 -0.896 96 2HG LYS 13 2HG LYS 13 -1.766 -5.799 0.834 97 1HD LYS 13 1HD LYS 13 -3.757 -7.315 1.149 98 2HD LYS 13 2HD LYS 13 -3.580 -7.819 -0.549 99 1HE LYS 13 1HE LYS 13 -2.138 -9.386 0.197 100 2HE LYS 13 2HE LYS 13 -0.997 -8.054 0.481 101 1HZ LYS 13 1HZ LYS 13 -2.992 -8.774 2.483 102 2HZ LYS 13 2HZ LYS 13 -1.564 -9.594 2.382 103 3HZ LYS 13 3HZ LYS 13 -1.564 -7.972 2.680 104 H LEU 14 H LEU 14 -4.877 -3.832 -3.288 105 HA LEU 14 HA LEU 14 -4.409 -6.377 -4.669 106 1HB LEU 14 1HB LEU 14 -6.274 -5.391 -6.161 107 2HB LEU 14 2HB LEU 14 -6.694 -5.795 -4.479 108 HG LEU 14 HG LEU 14 -7.524 -3.530 -5.226 109 1HD1 LEU 14 1HD1 LEU 14 -5.631 -2.686 -3.179 110 2HD1 LEU 14 2HD1 LEU 14 -7.386 -2.952 -3.049 111 3HD1 LEU 14 3HD1 LEU 14 -6.261 -4.313 -2.825 112 1HD2 LEU 14 1HD2 LEU 14 -4.901 -3.349 -6.259 113 2HD2 LEU 14 2HD2 LEU 14 -6.131 -2.062 -6.225 114 3HD2 LEU 14 3HD2 LEU 14 -4.952 -2.202 -4.899 115 H LEU 15 H LEU 15 -3.998 -2.863 -5.214 116 HA LEU 15 HA LEU 15 -3.250 -2.903 -7.905 117 1HB LEU 15 1HB LEU 15 -2.779 -1.150 -5.547 118 2HB LEU 15 2HB LEU 15 -1.646 -0.951 -6.904 119 HG LEU 15 HG LEU 15 -3.828 0.457 -6.937 120 1HD1 LEU 15 1HD1 LEU 15 -3.271 0.692 -9.109 121 2HD1 LEU 15 2HD1 LEU 15 -2.243 -0.753 -8.957 122 3HD1 LEU 15 3HD1 LEU 15 -3.933 -0.915 -9.491 123 1HD2 LEU 15 1HD2 LEU 15 -4.822 -2.359 -7.336 124 2HD2 LEU 15 2HD2 LEU 15 -5.565 -1.013 -6.439 125 3HD2 LEU 15 3HD2 LEU 15 -5.616 -1.033 -8.218 126 H LYS 16 H LYS 16 -1.439 -3.841 -5.005 127 HA LYS 16 HA LYS 16 1.174 -3.810 -5.872 128 1HB LYS 16 1HB LYS 16 1.051 -4.618 -3.739 129 2HB LYS 16 2HB LYS 16 -0.445 -5.530 -4.057 130 1HG LYS 16 1HG LYS 16 2.127 -6.387 -5.382 131 2HG LYS 16 2HG LYS 16 1.831 -6.821 -3.682 132 1HD LYS 16 1HD LYS 16 0.202 -7.563 -6.132 133 2HD LYS 16 2HD LYS 16 0.942 -8.642 -4.925 134 1HE LYS 16 1HE LYS 16 -0.642 -7.196 -3.287 135 2HE LYS 16 2HE LYS 16 -1.590 -7.055 -4.783 136 1HZ LYS 16 1HZ LYS 16 -2.292 -8.952 -3.627 137 2HZ LYS 16 2HZ LYS 16 -1.444 -9.483 -4.938 138 3HZ LYS 16 3HZ LYS 16 -0.756 -9.523 -3.440 139 H LYS 17 H LYS 17 -1.133 -6.550 -6.350 140 HA LYS 17 HA LYS 17 0.429 -8.238 -7.848 141 1HB LYS 17 1HB LYS 17 -1.721 -9.014 -7.374 142 2HB LYS 17 2HB LYS 17 -2.498 -7.518 -7.945 143 1HG LYS 17 1HG LYS 17 -2.890 -8.656 -9.870 144 2HG LYS 17 2HG LYS 17 -1.159 -8.421 -10.206 145 1HD LYS 17 1HD LYS 17 -0.811 -10.568 -8.772 146 2HD LYS 17 2HD LYS 17 -2.553 -10.837 -9.021 147 1HE LYS 17 1HE LYS 17 -1.148 -10.090 -11.493 148 2HE LYS 17 2HE LYS 17 -0.514 -11.584 -10.769 149 1HZ LYS 17 1HZ LYS 17 -3.285 -11.016 -11.534 150 2HZ LYS 17 2HZ LYS 17 -2.271 -12.140 -12.187 151 3HZ LYS 17 3HZ LYS 17 -2.836 -12.333 -10.649 152 H TRP 18 H TRP 18 -0.675 -5.046 -8.714 153 HA TRP 18 HA TRP 18 0.512 -5.447 -11.418 154 1HB TRP 18 1HB TRP 18 -1.183 -3.519 -11.984 155 2HB TRP 18 2HB TRP 18 -1.692 -5.213 -12.007 156 HD1 TRP 18 HD TRP 18 -2.504 -1.924 -10.512 157 HE1 TRP 18 1HE TRP 18 -4.378 -2.111 -8.798 158 HE3 TRP 18 3HE TRP 18 -2.635 -7.016 -10.011 159 HZ2 TRP 18 2HZ TRP 18 -5.774 -4.209 -7.375 160 HZ3 TRP 18 3HZ TRP 18 -4.248 -8.070 -8.469 161 HH2 TRP 18 HH TRP 18 -5.820 -6.685 -7.147 162 H LYS 19 H LYS 19 0.554 -3.849 -8.418 163 HA LYS 19 HA LYS 19 2.133 -1.610 -9.596 164 1HB LYS 19 1HB LYS 19 0.044 -1.730 -7.494 165 2HB LYS 19 2HB LYS 19 1.478 -0.759 -7.081 166 1HG LYS 19 1HG LYS 19 1.200 0.269 -9.457 167 2HG LYS 19 2HG LYS 19 -0.441 -0.420 -9.403 168 1HD LYS 19 1HD LYS 19 -0.630 0.740 -7.086 169 2HD LYS 19 2HD LYS 19 0.796 1.675 -7.594 170 1HE LYS 19 1HE LYS 19 -1.558 1.424 -9.460 171 2HE LYS 19 2HE LYS 19 -1.637 2.574 -8.107 172 1HZ LYS 19 1HZ LYS 19 0.681 2.547 -9.864 173 2HZ LYS 19 2HZ LYS 19 -0.700 3.312 -10.341 174 3HZ LYS 19 3HZ LYS 19 0.067 3.782 -8.959 175 H MET 20 H MET 20 2.562 -4.544 -8.333 176 HA MET 20 HA MET 20 3.937 -4.730 -6.086 177 1HB MET 20 1HB MET 20 5.503 -6.250 -7.146 178 2HB MET 20 2HB MET 20 3.921 -6.419 -7.944 179 1HG MET 20 1HG MET 20 5.251 -4.331 -9.300 180 2HG MET 20 2HG MET 20 6.475 -5.588 -9.055 181 1HE MET 20 1HE MET 20 2.559 -6.402 -9.497 182 2HE MET 20 2HE MET 20 2.898 -4.802 -10.199 183 3HE MET 20 3HE MET 20 2.450 -6.161 -11.258 184 H ARG 21 H ARG 21 5.771 -4.010 -5.055 185 HA ARG 21 HA ARG 21 7.742 -2.833 -4.749 186 1HB ARG 21 1HB ARG 21 8.012 -3.369 -7.332 187 2HB ARG 21 2HB ARG 21 7.618 -1.642 -7.508 188 1HG ARG 21 1HG ARG 21 9.549 -0.949 -6.436 189 2HG ARG 21 2HG ARG 21 9.648 -2.418 -5.435 190 1HD ARG 21 1HD ARG 21 9.867 -3.249 -8.151 191 2HD ARG 21 2HD ARG 21 10.941 -1.847 -7.956 192 HE ARG 21 HE ARG 21 11.331 -3.579 -5.745 193 1HH1 ARG 21 2HH2 ARG 21 11.819 -3.465 -9.245 194 2HH1 ARG 21 1HH2 ARG 21 13.206 -4.532 -9.225 195 1HH2 ARG 21 2HH1 ARG 21 13.162 -4.989 -5.718 196 2HH2 ARG 21 1HH1 ARG 21 13.971 -5.401 -7.213 197 H ARG 22 H ARG 22 4.679 -1.748 -5.540 198 HA ARG 22 HA ARG 22 5.270 1.116 -5.251 199 1HB ARG 22 1HB ARG 22 2.916 -0.586 -5.963 200 2HB ARG 22 2HB ARG 22 2.584 0.988 -5.201 201 1HG ARG 22 1HG ARG 22 2.774 0.921 -7.789 202 2HG ARG 22 2HG ARG 22 3.683 2.186 -6.927 203 1HD ARG 22 1HD ARG 22 5.132 -0.379 -7.227 204 2HD ARG 22 2HD ARG 22 4.770 0.440 -8.761 205 HE ARG 22 HE ARG 22 5.953 2.098 -6.631 206 1HH1 ARG 22 2HH2 ARG 22 6.388 0.180 -9.569 207 2HH1 ARG 22 1HH2 ARG 22 7.922 0.911 -9.983 208 1HH2 ARG 22 2HH1 ARG 22 7.979 3.064 -7.178 209 2HH2 ARG 22 1HH1 ARG 22 8.830 2.556 -8.620 210 H ASN 23 H ASN 23 6.320 0.441 -3.065 211 HA ASN 23 HA ASN 23 4.677 1.420 -0.981 212 1HB ASN 23 1HB ASN 23 4.004 -1.189 -1.562 213 2HB ASN 23 2HB ASN 23 5.211 -1.394 -0.274 214 1HD2 ASN 23 1HD2 ASN 23 3.787 -2.033 1.353 215 2HD2 ASN 23 2HD2 ASN 23 2.579 -0.963 2.032 216 H GLN 24 H GLN 24 7.468 -0.409 -2.118 217 HA GLN 24 HA GLN 24 9.165 -0.818 -0.135 218 1HB GLN 24 1HB GLN 24 9.476 -0.225 -2.795 219 2HB GLN 24 2HB GLN 24 10.342 1.128 -2.030 220 1HG GLN 24 1HG GLN 24 10.795 -1.671 -1.014 221 2HG GLN 24 2HG GLN 24 11.586 -1.160 -2.521 222 1HE2 GLN 24 1HE2 GLN 24 13.698 -0.931 -1.895 223 2HE2 GLN 24 2HE2 GLN 24 14.237 0.148 -0.626 224 H PHE 25 H PHE 25 8.332 2.512 -1.226 225 HA PHE 25 HA PHE 25 9.777 3.646 1.064 226 1HB PHE 25 1HB PHE 25 10.000 4.863 -0.952 227 2HB PHE 25 2HB PHE 25 8.267 4.759 -1.307 228 HD1 PHE 25 1HD PHE 25 6.749 5.797 0.704 229 HD2 PHE 25 2HD PHE 25 10.779 6.925 -0.267 230 HE1 PHE 25 1HE PHE 25 6.393 8.000 1.785 231 HE2 PHE 25 2HE PHE 25 10.423 9.128 0.814 232 HZ PHE 25 HZ PHE 25 8.230 9.666 1.840 233 H TRP 26 H TRP 26 6.414 3.258 -0.124 234 HA TRP 26 HA TRP 26 5.437 4.353 2.452 235 1HB TRP 26 1HB TRP 26 3.213 4.219 1.253 236 2HB TRP 26 2HB TRP 26 4.386 5.368 0.594 237 HD1 TRP 26 HD TRP 26 2.236 2.489 -0.338 238 HE1 TRP 26 1HE TRP 26 2.583 1.816 -2.770 239 HE3 TRP 26 3HE TRP 26 6.459 5.206 -1.333 240 HZ2 TRP 26 2HZ TRP 26 4.462 2.381 -4.898 241 HZ3 TRP 26 3HZ TRP 26 7.496 5.113 -3.570 242 HH2 TRP 26 HH TRP 26 6.514 3.709 -5.359 243 H VAL 27 H VAL 27 6.703 1.970 2.825 244 HA VAL 27 HA VAL 27 4.801 -0.232 2.589 245 HB VAL 27 HB VAL 27 6.629 -1.388 3.985 246 1HG1 VAL 27 1HG1 VAL 27 6.350 -0.909 1.284 247 2HG1 VAL 27 2HG1 VAL 27 7.998 -0.312 1.589 248 3HG1 VAL 27 3HG1 VAL 27 7.569 -1.990 2.000 249 1HG2 VAL 27 1HG2 VAL 27 8.658 -0.270 4.381 250 2HG2 VAL 27 2HG2 VAL 27 8.306 0.996 3.180 251 3HG2 VAL 27 3HG2 VAL 27 7.451 0.988 4.741 252 H LYS 28 H LYS 28 6.220 -0.831 5.453 253 HA LYS 28 HA LYS 28 3.790 -0.089 6.929 254 1HB LYS 28 1HB LYS 28 6.077 -1.983 7.266 255 2HB LYS 28 2HB LYS 28 5.309 -1.366 8.749 256 1HG LYS 28 1HG LYS 28 3.077 -2.030 7.800 257 2HG LYS 28 2HG LYS 28 3.928 -2.770 6.423 258 1HD LYS 28 1HD LYS 28 5.305 -3.936 8.422 259 2HD LYS 28 2HD LYS 28 3.771 -3.659 9.280 260 1HE LYS 28 1HE LYS 28 3.059 -5.569 8.300 261 2HE LYS 28 2HE LYS 28 2.935 -4.608 6.810 262 1HZ LYS 28 1HZ LYS 28 4.981 -5.357 6.111 263 2HZ LYS 28 2HZ LYS 28 5.426 -5.915 7.597 264 3HZ LYS 28 3HZ LYS 28 4.268 -6.708 6.732 265 H VAL 29 H VAL 29 5.247 2.163 6.128 266 HA VAL 29 HA VAL 29 6.957 2.989 8.351 267 HB VAL 29 HB VAL 29 6.845 5.204 7.028 268 1HG1 VAL 29 1HG1 VAL 29 7.815 2.767 5.486 269 2HG1 VAL 29 2HG1 VAL 29 8.497 4.411 5.472 270 3HG1 VAL 29 3HG1 VAL 29 8.649 3.396 6.927 271 1HG2 VAL 29 1HG2 VAL 29 5.619 5.325 5.110 272 2HG2 VAL 29 2HG2 VAL 29 6.000 3.649 4.649 273 3HG2 VAL 29 3HG2 VAL 29 4.698 3.976 5.817 274 H GLN 30 H GLN 30 5.101 2.499 9.906 275 HA GLN 30 HA GLN 30 3.887 5.019 10.644 276 1HB GLN 30 1HB GLN 30 1.537 4.092 10.592 277 2HB GLN 30 2HB GLN 30 2.240 4.414 8.989 278 1HG GLN 30 1HG GLN 30 2.732 2.088 8.643 279 2HG GLN 30 2HG GLN 30 2.368 1.694 10.337 280 1HE2 GLN 30 1HE2 GLN 30 1.209 1.103 7.420 281 2HE2 GLN 30 2HE2 GLN 30 -0.518 1.205 7.689 282 H ARG 31 H ARG 31 5.701 3.744 12.085 283 HA ARG 31 HA ARG 31 4.100 2.539 14.274 284 1HB ARG 31 1HB ARG 31 5.920 0.880 14.634 285 2HB ARG 31 2HB ARG 31 5.114 0.670 13.061 286 1HG ARG 31 1HG ARG 31 7.042 1.050 11.952 287 2HG ARG 31 2HG ARG 31 7.312 2.567 12.843 288 1HD ARG 31 1HD ARG 31 7.896 0.795 14.801 289 2HD ARG 31 2HD ARG 31 8.338 -0.186 13.388 290 HE ARG 31 HE ARG 31 9.546 2.230 12.884 291 1HH1 ARG 31 2HH2 ARG 31 9.520 -0.024 15.608 292 2HH1 ARG 31 1HH2 ARG 31 11.143 0.373 16.129 293 1HH2 ARG 31 2HH1 ARG 31 11.689 2.754 13.572 294 2HH2 ARG 31 1HH1 ARG 31 12.379 1.957 14.967 295 H GLY 32 H GLY 32 5.596 2.384 16.314 296 1HA GLY 32 1HA GLY 32 7.742 4.331 16.459 297 2HA GLY 32 2HA GLY 32 6.235 4.898 17.214 Start of MODEL 6 1 HA PRO 1 HA PRO 1 -7.975 9.584 -6.337 2 1HB PRO 1 1HB PRO 1 -8.193 9.501 -3.623 3 2HB PRO 1 2HB PRO 1 -6.598 9.474 -4.444 4 1HG PRO 1 1HG PRO 1 -8.034 11.885 -3.297 5 2HG PRO 1 2HG PRO 1 -6.348 11.365 -2.971 6 1HD PRO 1 1HD PRO 1 -6.915 13.252 -4.855 7 2HD PRO 1 2HD PRO 1 -5.655 12.017 -5.157 8 HA PRO 2 HA PRO 2 -12.202 11.104 -6.316 9 1HB PRO 2 1HB PRO 2 -13.329 8.898 -7.451 10 2HB PRO 2 2HB PRO 2 -12.301 10.025 -8.394 11 1HG PRO 2 1HG PRO 2 -11.447 7.441 -7.059 12 2HG PRO 2 2HG PRO 2 -11.177 7.925 -8.765 13 1HD PRO 2 1HD PRO 2 -9.265 8.303 -6.859 14 2HD PRO 2 2HD PRO 2 -9.551 9.545 -8.115 15 H LEU 3 H LEU 3 -11.459 10.693 -3.837 16 HA LEU 3 HA LEU 3 -12.217 9.987 -1.795 17 1HB LEU 3 1HB LEU 3 -14.417 8.682 -3.447 18 2HB LEU 3 2HB LEU 3 -14.426 8.864 -1.676 19 HG LEU 3 HG LEU 3 -15.701 10.662 -2.947 20 1HD1 LEU 3 1HD1 LEU 3 -14.219 10.803 -0.653 21 2HD1 LEU 3 2HD1 LEU 3 -13.473 12.108 -1.606 22 3HD1 LEU 3 3HD1 LEU 3 -15.221 12.139 -1.268 23 1HD2 LEU 3 1HD2 LEU 3 -13.910 10.729 -4.790 24 2HD2 LEU 3 2HD2 LEU 3 -14.496 12.303 -4.201 25 3HD2 LEU 3 3HD2 LEU 3 -12.924 11.676 -3.650 26 H SER 4 H SER 4 -11.406 8.417 -0.510 27 HA SER 4 HA SER 4 -11.512 5.625 -1.233 28 1HB SER 4 1HB SER 4 -9.364 7.119 -2.313 29 2HB SER 4 2HB SER 4 -8.690 6.208 -0.940 30 HG SER 4 HG SER 4 -8.669 4.948 -2.814 31 H GLN 5 H GLN 5 -12.224 5.054 0.764 32 HA GLN 5 HA GLN 5 -10.504 4.713 2.908 33 1HB GLN 5 1HB GLN 5 -11.423 6.577 4.442 34 2HB GLN 5 2HB GLN 5 -10.192 7.034 3.241 35 1HG GLN 5 1HG GLN 5 -11.871 7.912 1.746 36 2HG GLN 5 2HG GLN 5 -13.184 7.246 2.740 37 1HE2 GLN 5 1HE2 GLN 5 -13.609 8.180 4.842 38 2HE2 GLN 5 2HE2 GLN 5 -13.114 9.821 5.198 39 H GLU 6 H GLU 6 -13.731 5.348 1.665 40 HA GLU 6 HA GLU 6 -14.804 3.500 3.746 41 1HB GLU 6 1HB GLU 6 -16.025 5.985 2.500 42 2HB GLU 6 2HB GLU 6 -16.988 4.763 3.363 43 1HG GLU 6 1HG GLU 6 -14.581 5.531 4.849 44 2HG GLU 6 2HG GLU 6 -15.634 6.923 4.516 45 H THR 7 H THR 7 -13.806 2.180 1.722 46 HA THR 7 HA THR 7 -15.612 0.568 0.629 47 HB THR 7 HB THR 7 -15.849 3.243 -0.689 48 HG1 THR 7 1HG THR 7 -17.436 2.109 0.662 49 1HG2 THR 7 1HG2 THR 7 -15.499 2.447 -2.770 50 2HG2 THR 7 2HG2 THR 7 -15.216 0.807 -2.138 51 3HG2 THR 7 3HG2 THR 7 -16.870 1.339 -2.526 52 H PHE 8 H PHE 8 -14.159 2.406 -1.966 53 HA PHE 8 HA PHE 8 -12.625 0.342 -2.985 54 1HB PHE 8 1HB PHE 8 -11.132 2.573 -3.600 55 2HB PHE 8 2HB PHE 8 -12.549 1.998 -4.496 56 HD1 PHE 8 1HD PHE 8 -12.538 3.564 -1.111 57 HD2 PHE 8 2HD PHE 8 -13.452 4.038 -5.281 58 HE1 PHE 8 1HE PHE 8 -13.718 5.687 -0.611 59 HE2 PHE 8 2HE PHE 8 -14.632 6.162 -4.782 60 HZ PHE 8 HZ PHE 8 -14.765 6.986 -2.446 61 H SER 9 H SER 9 -12.069 2.224 -0.119 62 HA SER 9 HA SER 9 -9.205 1.778 -0.010 63 1HB SER 9 1HB SER 9 -10.265 3.701 1.098 64 2HB SER 9 2HB SER 9 -11.218 2.600 2.121 65 HG SER 9 HG SER 9 -8.407 2.421 2.009 66 H ASP 10 H ASP 10 -12.119 0.045 0.915 67 HA ASP 10 HA ASP 10 -10.987 -1.660 2.890 68 1HB ASP 10 1HB ASP 10 -13.462 -1.241 2.175 69 2HB ASP 10 2HB ASP 10 -13.156 -2.510 0.969 70 H LEU 11 H LEU 11 -10.752 -1.559 -0.605 71 HA LEU 11 HA LEU 11 -9.778 -4.321 -0.782 72 1HB LEU 11 1HB LEU 11 -9.256 -3.039 -3.198 73 2HB LEU 11 2HB LEU 11 -10.711 -3.988 -2.809 74 HG LEU 11 HG LEU 11 -11.670 -1.964 -3.452 75 1HD1 LEU 11 1HD1 LEU 11 -12.668 -1.146 -1.532 76 2HD1 LEU 11 2HD1 LEU 11 -11.926 -2.619 -0.864 77 3HD1 LEU 11 3HD1 LEU 11 -11.127 -1.043 -0.647 78 1HD2 LEU 11 1HD2 LEU 11 -9.422 -0.858 -3.750 79 2HD2 LEU 11 2HD2 LEU 11 -10.671 0.223 -3.087 80 3HD2 LEU 11 3HD2 LEU 11 -9.436 -0.475 -2.011 81 H TRP 12 H TRP 12 -8.198 -1.929 -2.743 82 HA TRP 12 HA TRP 12 -5.783 -2.132 -2.957 83 1HB TRP 12 1HB TRP 12 -6.029 -0.153 -0.726 84 2HB TRP 12 2HB TRP 12 -5.154 -0.027 -2.259 85 HD1 TRP 12 HD TRP 12 -7.629 1.801 -0.735 86 HE1 TRP 12 1HE TRP 12 -9.426 2.734 -2.280 87 HE3 TRP 12 3HE TRP 12 -6.878 -1.246 -4.778 88 HZ2 TRP 12 2HZ TRP 12 -10.425 2.227 -4.948 89 HZ3 TRP 12 3HZ TRP 12 -8.269 -0.991 -6.800 90 HH2 TRP 12 HH TRP 12 -10.043 0.735 -6.901 91 H LYS 13 H LYS 13 -7.065 -2.460 0.353 92 HA LYS 13 HA LYS 13 -4.708 -2.902 1.767 93 1HB LYS 13 1HB LYS 13 -6.758 -2.772 2.963 94 2HB LYS 13 2HB LYS 13 -7.489 -4.086 2.010 95 1HG LYS 13 1HG LYS 13 -6.327 -5.742 3.145 96 2HG LYS 13 2HG LYS 13 -4.962 -4.667 3.532 97 1HD LYS 13 1HD LYS 13 -6.090 -4.982 5.603 98 2HD LYS 13 2HD LYS 13 -6.630 -3.385 5.032 99 1HE LYS 13 1HE LYS 13 -8.402 -5.226 3.847 100 2HE LYS 13 2HE LYS 13 -8.185 -5.805 5.513 101 1HZ LYS 13 1HZ LYS 13 -8.596 -3.430 6.144 102 2HZ LYS 13 2HZ LYS 13 -9.153 -3.201 4.609 103 3HZ LYS 13 3HZ LYS 13 -9.894 -4.289 5.602 104 H LEU 14 H LEU 14 -5.868 -4.636 -0.912 105 HA LEU 14 HA LEU 14 -4.743 -7.219 -0.111 106 1HB LEU 14 1HB LEU 14 -5.302 -7.711 -2.590 107 2HB LEU 14 2HB LEU 14 -6.658 -7.393 -1.483 108 HG LEU 14 HG LEU 14 -6.574 -6.149 -3.796 109 1HD1 LEU 14 1HD1 LEU 14 -7.254 -3.955 -2.367 110 2HD1 LEU 14 2HD1 LEU 14 -8.302 -5.390 -2.480 111 3HD1 LEU 14 3HD1 LEU 14 -7.257 -5.160 -1.057 112 1HD2 LEU 14 1HD2 LEU 14 -5.126 -4.359 -4.026 113 2HD2 LEU 14 2HD2 LEU 14 -5.005 -4.095 -2.270 114 3HD2 LEU 14 3HD2 LEU 14 -4.104 -5.427 -3.034 115 H LEU 15 H LEU 15 -3.917 -4.416 -2.155 116 HA LEU 15 HA LEU 15 -1.731 -5.495 -3.541 117 1HB LEU 15 1HB LEU 15 -2.680 -2.797 -2.723 118 2HB LEU 15 2HB LEU 15 -0.951 -2.922 -3.127 119 HG LEU 15 HG LEU 15 -2.570 -2.409 -5.072 120 1HD1 LEU 15 1HD1 LEU 15 -0.832 -3.133 -6.312 121 2HD1 LEU 15 2HD1 LEU 15 -0.212 -3.984 -4.877 122 3HD1 LEU 15 3HD1 LEU 15 -1.285 -4.829 -6.018 123 1HD2 LEU 15 1HD2 LEU 15 -3.365 -5.206 -4.277 124 2HD2 LEU 15 2HD2 LEU 15 -4.384 -3.852 -4.820 125 3HD2 LEU 15 3HD2 LEU 15 -3.399 -4.753 -5.998 126 H LYS 16 H LYS 16 -2.079 -4.537 -0.170 127 HA LYS 16 HA LYS 16 0.554 -4.084 0.591 128 1HB LYS 16 1HB LYS 16 -0.833 -3.809 2.381 129 2HB LYS 16 2HB LYS 16 -1.913 -5.133 1.881 130 1HG LYS 16 1HG LYS 16 0.886 -5.774 2.806 131 2HG LYS 16 2HG LYS 16 -0.373 -5.417 4.013 132 1HD LYS 16 1HD LYS 16 -0.298 -7.645 1.956 133 2HD LYS 16 2HD LYS 16 -0.503 -7.767 3.720 134 1HE LYS 16 1HE LYS 16 -2.638 -6.232 3.183 135 2HE LYS 16 2HE LYS 16 -2.495 -7.032 1.603 136 1HZ LYS 16 1HZ LYS 16 -3.880 -8.121 3.390 137 2HZ LYS 16 2HZ LYS 16 -2.825 -9.071 2.550 138 3HZ LYS 16 3HZ LYS 16 -2.451 -8.574 4.078 139 H LYS 17 H LYS 17 -1.151 -7.270 0.564 140 HA LYS 17 HA LYS 17 0.932 -8.911 1.309 141 1HB LYS 17 1HB LYS 17 -1.111 -9.986 0.984 142 2HB LYS 17 2HB LYS 17 -1.375 -9.229 -0.605 143 1HG LYS 17 1HG LYS 17 -0.621 -11.185 -1.474 144 2HG LYS 17 2HG LYS 17 0.995 -10.631 -0.974 145 1HD LYS 17 1HD LYS 17 -0.649 -11.893 1.163 146 2HD LYS 17 2HD LYS 17 -0.123 -12.980 -0.145 147 1HE LYS 17 1HE LYS 17 2.168 -11.531 0.330 148 2HE LYS 17 2HE LYS 17 1.465 -11.627 1.959 149 1HZ LYS 17 1HZ LYS 17 1.361 -13.980 1.732 150 2HZ LYS 17 2HZ LYS 17 1.939 -13.919 0.189 151 3HZ LYS 17 3HZ LYS 17 2.905 -13.475 1.450 152 H TRP 18 H TRP 18 0.661 -6.983 -1.578 153 HA TRP 18 HA TRP 18 3.182 -8.227 -2.562 154 1HB TRP 18 1HB TRP 18 2.209 -7.433 -4.862 155 2HB TRP 18 2HB TRP 18 1.729 -8.989 -4.172 156 HD1 TRP 18 HD TRP 18 0.361 -5.779 -5.432 157 HE1 TRP 18 1HE TRP 18 -2.168 -5.668 -5.151 158 HE3 TRP 18 3HE TRP 18 -0.287 -9.817 -2.354 159 HZ2 TRP 18 2HZ TRP 18 -4.231 -7.146 -3.761 160 HZ3 TRP 18 3HZ TRP 18 -2.545 -10.433 -1.574 161 HH2 TRP 18 HH TRP 18 -4.523 -9.112 -2.265 162 H LYS 19 H LYS 19 1.537 -5.494 -1.417 163 HA LYS 19 HA LYS 19 3.517 -3.687 -2.724 164 1HB LYS 19 1HB LYS 19 0.934 -3.405 -3.069 165 2HB LYS 19 2HB LYS 19 0.965 -2.753 -1.413 166 1HG LYS 19 1HG LYS 19 3.064 -1.398 -2.435 167 2HG LYS 19 2HG LYS 19 2.133 -1.637 -3.933 168 1HD LYS 19 1HD LYS 19 0.152 -0.900 -2.173 169 2HD LYS 19 2HD LYS 19 1.531 0.049 -1.568 170 1HE LYS 19 1HE LYS 19 1.900 1.020 -3.761 171 2HE LYS 19 2HE LYS 19 0.678 -0.046 -4.488 172 1HZ LYS 19 1HZ LYS 19 -0.773 1.093 -2.670 173 2HZ LYS 19 2HZ LYS 19 0.330 2.306 -2.854 174 3HZ LYS 19 3HZ LYS 19 -0.540 1.779 -4.152 175 H MET 20 H MET 20 3.059 -5.422 0.012 176 HA MET 20 HA MET 20 3.137 -3.787 2.213 177 1HB MET 20 1HB MET 20 3.341 -6.332 2.075 178 2HB MET 20 2HB MET 20 5.083 -6.081 1.807 179 1HG MET 20 1HG MET 20 4.442 -4.418 3.972 180 2HG MET 20 2HG MET 20 3.527 -5.905 4.272 181 1HE MET 20 1HE MET 20 7.077 -6.744 2.349 182 2HE MET 20 2HE MET 20 6.645 -5.022 2.482 183 3HE MET 20 3HE MET 20 8.006 -5.673 3.426 184 H ARG 21 H ARG 21 4.516 -2.354 3.159 185 HA ARG 21 HA ARG 21 6.511 -1.226 3.554 186 1HB ARG 21 1HB ARG 21 7.574 -3.410 2.535 187 2HB ARG 21 2HB ARG 21 7.772 -2.401 1.081 188 1HG ARG 21 1HG ARG 21 9.510 -1.303 2.010 189 2HG ARG 21 2HG ARG 21 8.554 -0.924 3.463 190 1HD ARG 21 1HD ARG 21 9.946 -3.579 2.927 191 2HD ARG 21 2HD ARG 21 10.581 -2.291 3.973 192 HE ARG 21 HE ARG 21 8.414 -4.159 4.577 193 1HH1 ARG 21 2HH2 ARG 21 9.954 -1.063 5.314 194 2HH1 ARG 21 1HH2 ARG 21 9.317 -0.979 6.942 195 1HH2 ARG 21 2HH1 ARG 21 7.573 -4.047 6.727 196 2HH2 ARG 21 1HH1 ARG 21 7.960 -2.680 7.747 197 H ARG 22 H ARG 22 4.196 -0.770 1.535 198 HA ARG 22 HA ARG 22 5.450 1.039 -0.401 199 1HB ARG 22 1HB ARG 22 3.200 1.308 -1.257 200 2HB ARG 22 2HB ARG 22 3.472 -0.422 -0.937 201 1HG ARG 22 1HG ARG 22 2.491 0.841 1.467 202 2HG ARG 22 2HG ARG 22 1.411 1.248 0.112 203 1HD ARG 22 1HD ARG 22 0.486 -0.785 0.573 204 2HD ARG 22 2HD ARG 22 1.853 -1.397 -0.384 205 HE ARG 22 HE ARG 22 2.958 -2.051 1.615 206 1HH1 ARG 22 2HH2 ARG 22 -0.196 -0.551 2.165 207 2HH1 ARG 22 1HH2 ARG 22 -0.337 -1.130 3.810 208 1HH2 ARG 22 2HH1 ARG 22 2.772 -2.815 3.787 209 2HH2 ARG 22 1HH1 ARG 22 1.355 -2.421 4.735 210 H ASN 23 H ASN 23 6.398 2.184 1.646 211 HA ASN 23 HA ASN 23 4.438 4.049 2.838 212 1HB ASN 23 1HB ASN 23 5.922 3.030 4.415 213 2HB ASN 23 2HB ASN 23 7.342 3.377 3.405 214 1HD2 ASN 23 1HD2 ASN 23 4.639 5.007 5.143 215 2HD2 ASN 23 2HD2 ASN 23 5.558 6.425 5.599 216 H GLN 24 H GLN 24 7.759 5.030 2.459 217 HA GLN 24 HA GLN 24 7.354 6.528 0.012 218 1HB GLN 24 1HB GLN 24 6.295 7.698 2.294 219 2HB GLN 24 2HB GLN 24 7.915 8.427 2.185 220 1HG GLN 24 1HG GLN 24 7.032 8.438 -0.454 221 2HG GLN 24 2HG GLN 24 5.558 8.809 0.467 222 1HE2 GLN 24 1HE2 GLN 24 6.905 10.643 -1.295 223 2HE2 GLN 24 2HE2 GLN 24 7.495 11.975 -0.325 224 H PHE 25 H PHE 25 9.173 6.433 3.125 225 HA PHE 25 HA PHE 25 11.664 6.953 1.620 226 1HB PHE 25 1HB PHE 25 11.446 8.309 3.547 227 2HB PHE 25 2HB PHE 25 10.885 6.954 4.540 228 HD1 PHE 25 1HD PHE 25 12.669 4.898 4.569 229 HD2 PHE 25 2HD PHE 25 13.598 9.044 3.938 230 HE1 PHE 25 1HE PHE 25 14.994 4.492 5.331 231 HE2 PHE 25 2HE PHE 25 15.923 8.638 4.700 232 HZ PHE 25 HZ PHE 25 16.621 6.363 5.397 233 H TRP 26 H TRP 26 10.033 4.494 3.631 234 HA TRP 26 HA TRP 26 12.323 2.663 3.184 235 1HB TRP 26 1HB TRP 26 10.974 1.228 4.810 236 2HB TRP 26 2HB TRP 26 11.719 2.700 5.449 237 HD1 TRP 26 HD TRP 26 8.425 0.982 4.999 238 HE1 TRP 26 1HE TRP 26 6.534 2.351 6.017 239 HE3 TRP 26 3HE TRP 26 10.964 5.339 5.876 240 HZ2 TRP 26 2HZ TRP 26 6.157 5.014 7.084 241 HZ3 TRP 26 3HZ TRP 26 9.807 7.267 6.892 242 HH2 TRP 26 HH TRP 26 7.410 7.122 7.501 243 H VAL 27 H VAL 27 10.812 3.333 0.902 244 HA VAL 27 HA VAL 27 8.991 1.032 0.506 245 HB VAL 27 HB VAL 27 8.538 2.251 -1.684 246 1HG1 VAL 27 1HG1 VAL 27 7.526 4.307 -0.264 247 2HG1 VAL 27 2HG1 VAL 27 6.847 2.665 -0.171 248 3HG1 VAL 27 3HG1 VAL 27 7.969 3.237 1.087 249 1HG2 VAL 27 1HG2 VAL 27 10.710 3.510 -1.672 250 2HG2 VAL 27 2HG2 VAL 27 9.291 4.569 -1.852 251 3HG2 VAL 27 3HG2 VAL 27 10.117 4.448 -0.280 252 H LYS 28 H LYS 28 10.632 -0.611 0.476 253 HA LYS 28 HA LYS 28 11.709 -2.118 -0.961 254 1HB LYS 28 1HB LYS 28 12.013 -1.656 -3.177 255 2HB LYS 28 2HB LYS 28 10.904 -0.312 -2.816 256 1HG LYS 28 1HG LYS 28 13.242 0.840 -2.082 257 2HG LYS 28 2HG LYS 28 13.849 -0.279 -3.326 258 1HD LYS 28 1HD LYS 28 11.391 1.354 -3.923 259 2HD LYS 28 2HD LYS 28 12.982 2.148 -3.989 260 1HE LYS 28 1HE LYS 28 13.580 -0.094 -5.358 261 2HE LYS 28 2HE LYS 28 11.842 -0.014 -5.718 262 1HZ LYS 28 1HZ LYS 28 12.511 1.349 -7.299 263 2HZ LYS 28 2HZ LYS 28 12.617 2.488 -6.111 264 3HZ LYS 28 3HZ LYS 28 13.967 1.676 -6.597 265 H VAL 29 H VAL 29 12.681 -0.571 1.304 266 HA VAL 29 HA VAL 29 15.515 -0.098 0.557 267 HB VAL 29 HB VAL 29 13.969 0.571 3.093 268 1HG1 VAL 29 1HG1 VAL 29 16.071 0.706 3.945 269 2HG1 VAL 29 2HG1 VAL 29 16.822 0.610 2.334 270 3HG1 VAL 29 3HG1 VAL 29 16.226 2.172 2.947 271 1HG2 VAL 29 1HG2 VAL 29 14.343 2.939 2.184 272 2HG2 VAL 29 2HG2 VAL 29 14.775 2.172 0.638 273 3HG2 VAL 29 3HG2 VAL 29 13.145 1.951 1.316 274 H GLN 30 H GLN 30 14.218 -2.785 0.762 275 HA GLN 30 HA GLN 30 16.173 -3.926 2.651 276 1HB GLN 30 1HB GLN 30 13.973 -3.582 3.869 277 2HB GLN 30 2HB GLN 30 13.243 -4.727 2.718 278 1HG GLN 30 1HG GLN 30 15.780 -5.655 3.931 279 2HG GLN 30 2HG GLN 30 14.451 -5.437 5.090 280 1HE2 GLN 30 1HE2 GLN 30 15.926 -7.731 3.306 281 2HE2 GLN 30 2HE2 GLN 30 14.575 -8.781 2.934 282 H ARG 31 H ARG 31 13.535 -4.532 0.282 283 HA ARG 31 HA ARG 31 13.318 -6.138 -1.342 284 1HB ARG 31 1HB ARG 31 16.333 -5.724 -1.416 285 2HB ARG 31 2HB ARG 31 15.381 -6.539 -2.681 286 1HG ARG 31 1HG ARG 31 14.392 -4.575 -3.397 287 2HG ARG 31 2HG ARG 31 14.477 -3.820 -1.787 288 1HD ARG 31 1HD ARG 31 17.084 -4.452 -3.091 289 2HD ARG 31 2HD ARG 31 16.129 -3.154 -3.839 290 HE ARG 31 HE ARG 31 16.162 -2.699 -1.050 291 1HH1 ARG 31 2HH2 ARG 31 18.380 -2.798 -3.802 292 2HH1 ARG 31 1HH2 ARG 31 19.490 -1.629 -3.123 293 1HH2 ARG 31 2HH1 ARG 31 17.629 -1.155 -0.154 294 2HH2 ARG 31 1HH1 ARG 31 19.062 -0.692 -1.044 295 H GLY 32 H GLY 32 12.568 -7.975 -0.347 296 1HA GLY 32 1HA GLY 32 14.654 -9.856 0.668 297 2HA GLY 32 2HA GLY 32 13.001 -9.752 1.314 Start of MODEL 7 1 HA PRO 1 HA PRO 1 -12.935 12.060 3.977 2 1HB PRO 1 1HB PRO 1 -12.344 10.610 1.747 3 2HB PRO 1 2HB PRO 1 -13.886 11.513 1.907 4 1HG PRO 1 1HG PRO 1 -11.349 12.439 0.530 5 2HG PRO 1 2HG PRO 1 -13.010 12.419 -0.148 6 1HD PRO 1 1HD PRO 1 -11.960 14.669 0.976 7 2HD PRO 1 2HD PRO 1 -13.674 14.232 1.252 8 HA PRO 2 HA PRO 2 -8.716 11.260 4.987 9 1HB PRO 2 1HB PRO 2 -8.886 8.698 5.899 10 2HB PRO 2 2HB PRO 2 -9.684 10.060 6.751 11 1HG PRO 2 1HG PRO 2 -10.932 8.166 4.739 12 2HG PRO 2 2HG PRO 2 -11.543 8.571 6.376 13 1HD PRO 2 1HD PRO 2 -12.471 9.852 4.156 14 2HD PRO 2 2HD PRO 2 -12.177 10.759 5.670 15 H LEU 3 H LEU 3 -7.385 8.801 4.756 16 HA LEU 3 HA LEU 3 -7.579 8.142 1.864 17 1HB LEU 3 1HB LEU 3 -5.017 8.136 1.901 18 2HB LEU 3 2HB LEU 3 -5.805 9.732 1.925 19 HG LEU 3 HG LEU 3 -5.649 9.043 4.625 20 1HD1 LEU 3 1HD1 LEU 3 -3.321 8.361 4.986 21 2HD1 LEU 3 2HD1 LEU 3 -4.153 7.146 3.987 22 3HD1 LEU 3 3HD1 LEU 3 -3.040 8.310 3.229 23 1HD2 LEU 3 1HD2 LEU 3 -3.441 10.612 4.257 24 2HD2 LEU 3 2HD2 LEU 3 -4.291 10.878 2.716 25 3HD2 LEU 3 3HD2 LEU 3 -5.109 11.234 4.256 26 H SER 4 H SER 4 -8.228 6.054 1.967 27 HA SER 4 HA SER 4 -8.056 3.797 2.328 28 1HB SER 4 1HB SER 4 -5.868 3.333 2.021 29 2HB SER 4 2HB SER 4 -5.352 4.808 2.874 30 HG SER 4 HG SER 4 -5.650 3.738 4.821 31 H GLN 5 H GLN 5 -9.699 3.343 3.706 32 HA GLN 5 HA GLN 5 -9.054 2.944 6.505 33 1HB GLN 5 1HB GLN 5 -10.258 5.444 5.653 34 2HB GLN 5 2HB GLN 5 -11.383 4.531 6.688 35 1HG GLN 5 1HG GLN 5 -8.586 4.482 7.631 36 2HG GLN 5 2HG GLN 5 -9.299 6.110 7.594 37 1HE2 GLN 5 1HE2 GLN 5 -9.519 2.850 8.968 38 2HE2 GLN 5 2HE2 GLN 5 -10.609 3.259 10.276 39 H GLU 6 H GLU 6 -12.272 3.811 5.286 40 HA GLU 6 HA GLU 6 -12.974 0.913 5.373 41 1HB GLU 6 1HB GLU 6 -15.187 1.605 6.162 42 2HB GLU 6 2HB GLU 6 -13.926 2.240 7.247 43 1HG GLU 6 1HG GLU 6 -14.162 4.431 6.452 44 2HG GLU 6 2HG GLU 6 -14.887 3.903 4.918 45 H THR 7 H THR 7 -11.955 2.031 3.022 46 HA THR 7 HA THR 7 -14.077 1.458 1.198 47 HB THR 7 HB THR 7 -13.608 4.297 1.954 48 HG1 THR 7 1HG THR 7 -15.736 4.355 1.520 49 1HG2 THR 7 1HG2 THR 7 -14.512 4.452 -0.699 50 2HG2 THR 7 2HG2 THR 7 -12.908 4.938 -0.099 51 3HG2 THR 7 3HG2 THR 7 -13.152 3.304 -0.763 52 H PHE 8 H PHE 8 -11.777 4.045 0.509 53 HA PHE 8 HA PHE 8 -10.615 2.792 -1.691 54 1HB PHE 8 1HB PHE 8 -8.586 4.368 -0.781 55 2HB PHE 8 2HB PHE 8 -9.984 4.956 -1.698 56 HD1 PHE 8 1HD PHE 8 -10.009 3.798 1.843 57 HD2 PHE 8 2HD PHE 8 -10.167 7.156 -0.831 58 HE1 PHE 8 1HE PHE 8 -10.632 5.275 3.735 59 HE2 PHE 8 2HE PHE 8 -10.790 8.633 1.061 60 HZ PHE 8 HZ PHE 8 -11.022 7.693 3.344 61 H SER 9 H SER 9 -10.205 2.104 1.674 62 HA SER 9 HA SER 9 -7.553 0.941 1.424 63 1HB SER 9 1HB SER 9 -9.542 1.467 3.526 64 2HB SER 9 2HB SER 9 -8.710 -0.095 3.721 65 HG SER 9 HG SER 9 -6.732 1.160 3.326 66 H ASP 10 H ASP 10 -10.869 -0.065 0.929 67 HA ASP 10 HA ASP 10 -10.506 -2.874 1.280 68 1HB ASP 10 1HB ASP 10 -12.665 -1.418 1.050 69 2HB ASP 10 2HB ASP 10 -12.431 -1.649 -0.696 70 H LEU 11 H LEU 11 -9.606 -0.619 -1.240 71 HA LEU 11 HA LEU 11 -9.242 -2.747 -3.232 72 1HB LEU 11 1HB LEU 11 -8.045 -0.429 -4.194 73 2HB LEU 11 2HB LEU 11 -9.720 -0.945 -4.504 74 HG LEU 11 HG LEU 11 -10.055 1.196 -3.629 75 1HD1 LEU 11 1HD1 LEU 11 -10.919 -0.880 -2.138 76 2HD1 LEU 11 2HD1 LEU 11 -9.887 -0.083 -0.926 77 3HD1 LEU 11 3HD1 LEU 11 -11.227 0.813 -1.681 78 1HD2 LEU 11 1HD2 LEU 11 -8.693 2.204 -1.880 79 2HD2 LEU 11 2HD2 LEU 11 -7.866 0.657 -1.579 80 3HD2 LEU 11 3HD2 LEU 11 -7.611 1.518 -3.116 81 H TRP 12 H TRP 12 -6.871 -0.208 -3.103 82 HA TRP 12 HA TRP 12 -4.554 -0.880 -3.428 83 1HB TRP 12 1HB TRP 12 -4.773 -0.836 -0.442 84 2HB TRP 12 2HB TRP 12 -3.626 -0.007 -1.504 85 HD1 TRP 12 HD TRP 12 -5.912 1.001 0.861 86 HE1 TRP 12 1HE TRP 12 -7.149 3.167 0.344 87 HE3 TRP 12 3HE TRP 12 -5.051 1.240 -4.179 88 HZ2 TRP 12 2HZ TRP 12 -7.704 4.812 -1.971 89 HZ3 TRP 12 3HZ TRP 12 -5.948 3.118 -5.504 90 HH2 TRP 12 HH TRP 12 -7.274 4.908 -4.419 91 H LYS 13 H LYS 13 -6.440 -2.894 -1.169 92 HA LYS 13 HA LYS 13 -4.518 -4.769 -0.436 93 1HB LYS 13 1HB LYS 13 -6.968 -4.571 0.282 94 2HB LYS 13 2HB LYS 13 -7.369 -5.472 -1.200 95 1HG LYS 13 1HG LYS 13 -5.338 -7.011 -0.197 96 2HG LYS 13 2HG LYS 13 -6.072 -6.406 1.307 97 1HD LYS 13 1HD LYS 13 -8.255 -7.077 -0.339 98 2HD LYS 13 2HD LYS 13 -7.082 -8.394 -0.579 99 1HE LYS 13 1HE LYS 13 -8.025 -9.216 1.332 100 2HE LYS 13 2HE LYS 13 -6.901 -8.084 2.116 101 1HZ LYS 13 1HZ LYS 13 -9.759 -7.896 1.770 102 2HZ LYS 13 2HZ LYS 13 -8.814 -7.446 3.044 103 3HZ LYS 13 3HZ LYS 13 -8.901 -6.490 1.703 104 H LEU 14 H LEU 14 -5.495 -3.952 -3.575 105 HA LEU 14 HA LEU 14 -5.095 -6.625 -4.713 106 1HB LEU 14 1HB LEU 14 -5.328 -5.244 -6.883 107 2HB LEU 14 2HB LEU 14 -6.752 -5.349 -5.820 108 HG LEU 14 HG LEU 14 -6.256 -3.013 -6.642 109 1HD1 LEU 14 1HD1 LEU 14 -6.951 -3.936 -4.065 110 2HD1 LEU 14 2HD1 LEU 14 -5.783 -2.620 -3.795 111 3HD1 LEU 14 3HD1 LEU 14 -7.259 -2.319 -4.743 112 1HD2 LEU 14 1HD2 LEU 14 -4.182 -2.141 -6.463 113 2HD2 LEU 14 2HD2 LEU 14 -4.117 -2.525 -4.726 114 3HD2 LEU 14 3HD2 LEU 14 -3.625 -3.744 -5.926 115 H LEU 15 H LEU 15 -3.414 -3.472 -4.497 116 HA LEU 15 HA LEU 15 -1.282 -3.976 -6.235 117 1HB LEU 15 1HB LEU 15 -1.794 -2.249 -3.867 118 2HB LEU 15 2HB LEU 15 -0.083 -2.530 -4.270 119 HG LEU 15 HG LEU 15 -1.273 -0.528 -5.414 120 1HD1 LEU 15 1HD1 LEU 15 0.494 -0.685 -6.805 121 2HD1 LEU 15 2HD1 LEU 15 0.725 -2.364 -6.261 122 3HD1 LEU 15 3HD1 LEU 15 -0.280 -2.022 -7.690 123 1HD2 LEU 15 1HD2 LEU 15 -3.320 -1.335 -6.183 124 2HD2 LEU 15 2HD2 LEU 15 -2.326 -1.496 -7.651 125 3HD2 LEU 15 3HD2 LEU 15 -2.644 -2.920 -6.632 126 H LYS 16 H LYS 16 -1.930 -5.202 -2.980 127 HA LYS 16 HA LYS 16 0.564 -6.038 -2.138 128 1HB LYS 16 1HB LYS 16 -1.024 -6.579 -0.587 129 2HB LYS 16 2HB LYS 16 -2.235 -7.006 -1.820 130 1HG LYS 16 1HG LYS 16 0.219 -8.731 -1.485 131 2HG LYS 16 2HG LYS 16 -1.136 -8.903 -0.344 132 1HD LYS 16 1HD LYS 16 -1.136 -9.311 -3.351 133 2HD LYS 16 2HD LYS 16 -1.614 -10.458 -2.077 134 1HE LYS 16 1HE LYS 16 -3.336 -8.460 -1.514 135 2HE LYS 16 2HE LYS 16 -3.124 -8.159 -3.253 136 1HZ LYS 16 1HZ LYS 16 -4.261 -10.463 -1.911 137 2HZ LYS 16 2HZ LYS 16 -4.794 -9.649 -3.243 138 3HZ LYS 16 3HZ LYS 16 -3.517 -10.686 -3.366 139 H LYS 17 H LYS 17 -1.709 -7.959 -4.188 140 HA LYS 17 HA LYS 17 -0.156 -10.172 -4.675 141 1HB LYS 17 1HB LYS 17 -2.281 -10.214 -5.635 142 2HB LYS 17 2HB LYS 17 -2.095 -8.602 -6.368 143 1HG LYS 17 1HG LYS 17 -1.602 -9.718 -8.282 144 2HG LYS 17 2HG LYS 17 -0.025 -10.047 -7.526 145 1HD LYS 17 1HD LYS 17 -0.527 -12.246 -7.653 146 2HD LYS 17 2HD LYS 17 -1.777 -11.957 -6.420 147 1HE LYS 17 1HE LYS 17 -3.467 -11.613 -8.069 148 2HE LYS 17 2HE LYS 17 -2.270 -11.466 -9.374 149 1HZ LYS 17 1HZ LYS 17 -3.274 -13.589 -9.438 150 2HZ LYS 17 2HZ LYS 17 -1.705 -13.780 -8.966 151 3HZ LYS 17 3HZ LYS 17 -2.920 -13.891 -7.856 152 H TRP 18 H TRP 18 0.461 -6.883 -5.662 153 HA TRP 18 HA TRP 18 2.824 -7.862 -7.191 154 1HB TRP 18 1HB TRP 18 2.452 -5.568 -8.417 155 2HB TRP 18 2HB TRP 18 1.572 -7.018 -8.919 156 HD1 TRP 18 HD TRP 18 1.078 -3.518 -7.815 157 HE1 TRP 18 1HE TRP 18 -1.393 -2.961 -7.541 158 HE3 TRP 18 3HE TRP 18 -0.848 -8.254 -8.059 159 HZ2 TRP 18 2HZ TRP 18 -3.907 -4.390 -7.438 160 HZ3 TRP 18 3HZ TRP 18 -3.281 -8.616 -7.870 161 HH2 TRP 18 HH TRP 18 -4.821 -6.700 -7.559 162 H LYS 19 H LYS 19 1.564 -6.081 -4.578 163 HA LYS 19 HA LYS 19 4.125 -4.571 -4.340 164 1HB LYS 19 1HB LYS 19 1.276 -3.873 -3.616 165 2HB LYS 19 2HB LYS 19 2.641 -3.114 -2.762 166 1HG LYS 19 1HG LYS 19 2.425 -3.190 -5.795 167 2HG LYS 19 2HG LYS 19 1.779 -1.853 -4.814 168 1HD LYS 19 1HD LYS 19 4.566 -2.660 -4.169 169 2HD LYS 19 2HD LYS 19 4.340 -1.946 -5.784 170 1HE LYS 19 1HE LYS 19 3.872 0.113 -4.943 171 2HE LYS 19 2HE LYS 19 2.884 -0.548 -3.622 172 1HZ LYS 19 1HZ LYS 19 5.786 -0.223 -3.728 173 2HZ LYS 19 2HZ LYS 19 4.720 0.380 -2.623 174 3HZ LYS 19 3HZ LYS 19 5.066 -1.232 -2.639 175 H MET 20 H MET 20 3.012 -7.378 -3.456 176 HA MET 20 HA MET 20 2.852 -7.312 -0.608 177 1HB MET 20 1HB MET 20 3.310 -9.766 -0.821 178 2HB MET 20 2HB MET 20 2.006 -9.196 -1.891 179 1HG MET 20 1HG MET 20 3.131 -9.890 -3.695 180 2HG MET 20 2HG MET 20 4.515 -8.879 -3.248 181 1HE MET 20 1HE MET 20 6.322 -11.371 -0.706 182 2HE MET 20 2HE MET 20 6.609 -9.863 -1.608 183 3HE MET 20 3HE MET 20 5.216 -9.990 -0.506 184 H ARG 21 H ARG 21 4.390 -7.096 0.908 185 HA ARG 21 HA ARG 21 6.455 -6.890 1.872 186 1HB ARG 21 1HB ARG 21 6.487 -9.324 0.852 187 2HB ARG 21 2HB ARG 21 7.666 -8.617 -0.278 188 1HG ARG 21 1HG ARG 21 9.191 -8.099 1.438 189 2HG ARG 21 2HG ARG 21 7.940 -8.170 2.702 190 1HD ARG 21 1HD ARG 21 8.622 -10.283 3.100 191 2HD ARG 21 2HD ARG 21 7.884 -10.717 1.543 192 HE ARG 21 HE ARG 21 10.533 -9.668 1.159 193 1HH1 ARG 21 2HH2 ARG 21 8.740 -12.512 2.253 194 2HH1 ARG 21 1HH2 ARG 21 10.008 -13.642 1.835 195 1HH2 ARG 21 2HH1 ARG 21 12.208 -11.161 0.607 196 2HH2 ARG 21 1HH1 ARG 21 11.986 -12.872 0.896 197 H ARG 22 H ARG 22 5.589 -5.531 -0.920 198 HA ARG 22 HA ARG 22 8.231 -4.583 -1.790 199 1HB ARG 22 1HB ARG 22 5.412 -4.462 -2.778 200 2HB ARG 22 2HB ARG 22 6.492 -3.122 -3.234 201 1HG ARG 22 1HG ARG 22 6.972 -4.603 -4.949 202 2HG ARG 22 2HG ARG 22 8.172 -5.142 -3.750 203 1HD ARG 22 1HD ARG 22 5.605 -6.414 -3.265 204 2HD ARG 22 2HD ARG 22 6.121 -6.686 -4.944 205 HE ARG 22 HE ARG 22 8.196 -7.141 -2.926 206 1HH1 ARG 22 2HH2 ARG 22 5.561 -8.501 -4.852 207 2HH1 ARG 22 1HH2 ARG 22 6.141 -10.148 -4.733 208 1HH2 ARG 22 2HH1 ARG 22 8.962 -9.316 -2.769 209 2HH2 ARG 22 1HH1 ARG 22 8.080 -10.612 -3.545 210 H ASN 23 H ASN 23 8.394 -3.789 0.622 211 HA ASN 23 HA ASN 23 7.764 -0.908 0.531 212 1HB ASN 23 1HB ASN 23 6.113 -2.608 1.930 213 2HB ASN 23 2HB ASN 23 7.294 -2.140 3.173 214 1HD2 ASN 23 1HD2 ASN 23 4.457 -1.418 3.052 215 2HD2 ASN 23 2HD2 ASN 23 4.388 0.328 2.954 216 H GLN 24 H GLN 24 9.803 -3.543 1.186 217 HA GLN 24 HA GLN 24 11.386 -3.021 3.301 218 1HB GLN 24 1HB GLN 24 11.851 -3.988 0.552 219 2HB GLN 24 2HB GLN 24 13.306 -3.335 1.343 220 1HG GLN 24 1HG GLN 24 13.443 -5.415 2.263 221 2HG GLN 24 2HG GLN 24 12.221 -4.787 3.389 222 1HE2 GLN 24 1HE2 GLN 24 12.842 -6.878 0.619 223 2HE2 GLN 24 2HE2 GLN 24 11.280 -7.668 0.602 224 H PHE 25 H PHE 25 12.629 -1.673 0.233 225 HA PHE 25 HA PHE 25 13.483 0.722 1.754 226 1HB PHE 25 1HB PHE 25 15.246 -0.433 0.592 227 2HB PHE 25 2HB PHE 25 14.305 -0.474 -0.908 228 HD1 PHE 25 1HD PHE 25 13.541 1.938 -1.778 229 HD2 PHE 25 2HD PHE 25 16.892 1.180 0.801 230 HE1 PHE 25 1HE PHE 25 14.568 4.084 -2.481 231 HE2 PHE 25 2HE PHE 25 17.918 3.325 0.098 232 HZ PHE 25 HZ PHE 25 16.756 4.777 -1.542 233 H TRP 26 H TRP 26 11.098 -0.374 -0.467 234 HA TRP 26 HA TRP 26 10.720 1.967 -2.029 235 1HB TRP 26 1HB TRP 26 8.448 0.218 -1.134 236 2HB TRP 26 2HB TRP 26 8.728 0.976 -2.707 237 HD1 TRP 26 HD TRP 26 8.014 -2.078 -2.444 238 HE1 TRP 26 1HE TRP 26 9.598 -3.871 -3.317 239 HE3 TRP 26 3HE TRP 26 12.365 0.618 -2.444 240 HZ2 TRP 26 2HZ TRP 26 12.413 -4.117 -3.943 241 HZ3 TRP 26 3HZ TRP 26 14.474 -0.428 -3.183 242 HH2 TRP 26 HH TRP 26 14.516 -2.789 -3.934 243 H VAL 27 H VAL 27 10.313 1.405 1.320 244 HA VAL 27 HA VAL 27 8.049 2.983 1.918 245 HB VAL 27 HB VAL 27 9.556 1.444 3.408 246 1HG1 VAL 27 1HG1 VAL 27 11.527 2.273 4.148 247 2HG1 VAL 27 2HG1 VAL 27 11.366 3.518 2.887 248 3HG1 VAL 27 3HG1 VAL 27 10.795 3.847 4.540 249 1HG2 VAL 27 1HG2 VAL 27 8.088 2.160 4.961 250 2HG2 VAL 27 2HG2 VAL 27 8.978 3.692 5.133 251 3HG2 VAL 27 3HG2 VAL 27 7.694 3.541 3.910 252 H LYS 28 H LYS 28 9.330 4.880 3.781 253 HA LYS 28 HA LYS 28 9.536 7.196 3.609 254 1HB LYS 28 1HB LYS 28 12.038 6.347 2.111 255 2HB LYS 28 2HB LYS 28 11.823 7.763 3.168 256 1HG LYS 28 1HG LYS 28 11.070 5.682 4.825 257 2HG LYS 28 2HG LYS 28 12.377 4.944 3.869 258 1HD LYS 28 1HD LYS 28 13.974 6.476 4.620 259 2HD LYS 28 2HD LYS 28 12.754 7.714 5.003 260 1HE LYS 28 1HE LYS 28 11.921 5.859 6.726 261 2HE LYS 28 2HE LYS 28 13.603 5.303 6.585 262 1HZ LYS 28 1HZ LYS 28 14.188 7.678 7.037 263 2HZ LYS 28 2HZ LYS 28 12.623 7.896 7.510 264 3HZ LYS 28 3HZ LYS 28 13.582 6.814 8.305 265 H VAL 29 H VAL 29 7.853 6.216 1.516 266 HA VAL 29 HA VAL 29 8.528 8.207 -0.587 267 HB VAL 29 HB VAL 29 7.643 5.324 -0.927 268 1HG1 VAL 29 1HG1 VAL 29 6.230 6.242 -2.497 269 2HG1 VAL 29 2HG1 VAL 29 7.179 7.743 -2.627 270 3HG1 VAL 29 3HG1 VAL 29 7.728 6.268 -3.458 271 1HG2 VAL 29 1HG2 VAL 29 9.701 6.578 -2.654 272 2HG2 VAL 29 2HG2 VAL 29 10.138 6.484 -0.931 273 3HG2 VAL 29 3HG2 VAL 29 9.714 5.004 -1.824 274 H GLN 30 H GLN 30 6.778 8.197 1.859 275 HA GLN 30 HA GLN 30 4.477 9.403 0.641 276 1HB GLN 30 1HB GLN 30 3.973 6.943 0.343 277 2HB GLN 30 2HB GLN 30 3.970 6.794 2.117 278 1HG GLN 30 1HG GLN 30 2.327 8.918 1.872 279 2HG GLN 30 2HG GLN 30 2.013 8.148 0.302 280 1HE2 GLN 30 1HE2 GLN 30 0.122 7.067 0.457 281 2HE2 GLN 30 2HE2 GLN 30 -0.315 5.978 1.756 282 H ARG 31 H ARG 31 5.029 7.475 3.642 283 HA ARG 31 HA ARG 31 3.851 9.361 5.373 284 1HB ARG 31 1HB ARG 31 4.657 6.855 5.690 285 2HB ARG 31 2HB ARG 31 6.142 7.639 6.281 286 1HG ARG 31 1HG ARG 31 4.382 9.125 7.640 287 2HG ARG 31 2HG ARG 31 3.366 7.678 7.431 288 1HD ARG 31 1HD ARG 31 4.670 6.401 8.804 289 2HD ARG 31 2HD ARG 31 6.177 7.162 8.250 290 HE ARG 31 HE ARG 31 4.781 7.788 10.630 291 1HH1 ARG 31 2HH2 ARG 31 6.259 9.394 7.848 292 2HH1 ARG 31 1HH2 ARG 31 6.660 10.851 8.730 293 1HH2 ARG 31 2HH1 ARG 31 5.311 9.713 11.794 294 2HH2 ARG 31 1HH1 ARG 31 6.120 11.033 10.979 295 H GLY 32 H GLY 32 4.454 11.412 5.734 296 1HA GLY 32 1HA GLY 32 7.161 12.032 6.533 297 2HA GLY 32 2HA GLY 32 6.779 12.655 4.912 Start of MODEL 8 1 HA PRO 1 HA PRO 1 -2.886 6.342 -7.761 2 1HB PRO 1 1HB PRO 1 -5.310 6.698 -6.567 3 2HB PRO 1 2HB PRO 1 -5.127 5.727 -8.065 4 1HG PRO 1 1HG PRO 1 -5.203 4.707 -5.211 5 2HG PRO 1 2HG PRO 1 -6.197 4.145 -6.594 6 1HD PRO 1 1HD PRO 1 -3.908 2.854 -5.873 7 2HD PRO 1 2HD PRO 1 -4.315 3.082 -7.601 8 HA PRO 2 HA PRO 2 -1.297 8.097 -4.029 9 1HB PRO 2 1HB PRO 2 -1.536 10.745 -4.626 10 2HB PRO 2 2HB PRO 2 -0.410 9.671 -5.520 11 1HG PRO 2 1HG PRO 2 -3.227 10.456 -6.321 12 2HG PRO 2 2HG PRO 2 -1.740 10.577 -7.316 13 1HD PRO 2 1HD PRO 2 -3.415 8.436 -7.517 14 2HD PRO 2 2HD PRO 2 -1.640 8.208 -7.573 15 H LEU 3 H LEU 3 -3.192 7.145 -2.855 16 HA LEU 3 HA LEU 3 -4.540 9.081 -1.320 17 1HB LEU 3 1HB LEU 3 -6.901 8.575 -2.184 18 2HB LEU 3 2HB LEU 3 -5.903 9.659 -3.183 19 HG LEU 3 HG LEU 3 -7.210 7.559 -4.236 20 1HD1 LEU 3 1HD1 LEU 3 -5.380 9.337 -5.127 21 2HD1 LEU 3 2HD1 LEU 3 -4.401 7.854 -5.226 22 3HD1 LEU 3 3HD1 LEU 3 -5.940 7.966 -6.114 23 1HD2 LEU 3 1HD2 LEU 3 -4.482 6.431 -3.478 24 2HD2 LEU 3 2HD2 LEU 3 -6.015 5.968 -2.700 25 3HD2 LEU 3 3HD2 LEU 3 -5.749 5.615 -4.424 26 H SER 4 H SER 4 -5.607 8.126 0.430 27 HA SER 4 HA SER 4 -6.605 5.514 0.554 28 1HB SER 4 1HB SER 4 -3.825 5.448 0.258 29 2HB SER 4 2HB SER 4 -4.082 5.235 2.007 30 HG SER 4 HG SER 4 -5.900 3.812 0.664 31 H GLN 5 H GLN 5 -7.958 5.711 2.229 32 HA GLN 5 HA GLN 5 -6.964 6.675 4.801 33 1HB GLN 5 1HB GLN 5 -9.096 8.182 3.237 34 2HB GLN 5 2HB GLN 5 -8.751 8.424 4.967 35 1HG GLN 5 1HG GLN 5 -6.358 8.916 4.346 36 2HG GLN 5 2HG GLN 5 -6.838 8.846 2.636 37 1HE2 GLN 5 1HE2 GLN 5 -6.147 10.963 5.038 38 2HE2 GLN 5 2HE2 GLN 5 -7.185 12.302 4.596 39 H GLU 6 H GLU 6 -10.338 7.087 4.080 40 HA GLU 6 HA GLU 6 -10.886 4.474 5.409 41 1HB GLU 6 1HB GLU 6 -12.206 7.190 5.585 42 2HB GLU 6 2HB GLU 6 -13.086 5.706 6.022 43 1HG GLU 6 1HG GLU 6 -10.326 6.093 7.136 44 2HG GLU 6 2HG GLU 6 -11.645 7.068 7.821 45 H THR 7 H THR 7 -10.445 4.591 2.621 46 HA THR 7 HA THR 7 -13.003 3.560 1.704 47 HB THR 7 HB THR 7 -12.027 6.268 0.927 48 HG1 THR 7 1HG THR 7 -13.967 6.195 1.885 49 1HG2 THR 7 1HG2 THR 7 -11.841 5.784 -1.272 50 2HG2 THR 7 2HG2 THR 7 -12.382 4.109 -1.005 51 3HG2 THR 7 3HG2 THR 7 -13.579 5.401 -1.260 52 H PHE 8 H PHE 8 -10.697 5.027 -0.512 53 HA PHE 8 HA PHE 8 -10.215 2.715 -1.980 54 1HB PHE 8 1HB PHE 8 -7.868 4.114 -2.244 55 2HB PHE 8 2HB PHE 8 -9.357 4.429 -3.152 56 HD1 PHE 8 1HD PHE 8 -8.723 5.135 0.459 57 HD2 PHE 8 2HD PHE 8 -9.240 6.762 -3.483 58 HE1 PHE 8 1HE PHE 8 -8.826 7.421 1.416 59 HE2 PHE 8 2HE PHE 8 -9.343 9.048 -2.526 60 HZ PHE 8 HZ PHE 8 -9.136 9.377 -0.077 61 H SER 9 H SER 9 -9.054 3.577 1.171 62 HA SER 9 HA SER 9 -6.680 1.907 1.088 63 1HB SER 9 1HB SER 9 -7.735 3.913 2.758 64 2HB SER 9 2HB SER 9 -7.738 2.433 3.747 65 HG SER 9 HG SER 9 -5.727 3.757 3.629 66 H ASP 10 H ASP 10 -10.102 1.497 1.756 67 HA ASP 10 HA ASP 10 -9.951 -0.858 3.343 68 1HB ASP 10 1HB ASP 10 -11.946 0.727 2.781 69 2HB ASP 10 2HB ASP 10 -12.150 -0.305 1.349 70 H LEU 11 H LEU 11 -9.466 -0.242 -0.071 71 HA LEU 11 HA LEU 11 -9.786 -3.071 -0.788 72 1HB LEU 11 1HB LEU 11 -8.619 -1.731 -2.935 73 2HB LEU 11 2HB LEU 11 -10.361 -2.011 -2.694 74 HG LEU 11 HG LEU 11 -10.321 0.307 -2.920 75 1HD1 LEU 11 1HD1 LEU 11 -10.993 1.106 -0.859 76 2HD1 LEU 11 2HD1 LEU 11 -10.967 -0.634 -0.486 77 3HD1 LEU 11 3HD1 LEU 11 -9.598 0.398 -0.011 78 1HD2 LEU 11 1HD2 LEU 11 -7.748 0.392 -1.291 79 2HD2 LEU 11 2HD2 LEU 11 -7.807 0.374 -3.070 80 3HD2 LEU 11 3HD2 LEU 11 -8.504 1.743 -2.170 81 H TRP 12 H TRP 12 -7.223 -1.342 -2.347 82 HA TRP 12 HA TRP 12 -5.125 -2.518 -2.647 83 1HB TRP 12 1HB TRP 12 -4.611 -1.074 -0.077 84 2HB TRP 12 2HB TRP 12 -3.686 -1.064 -1.585 85 HD1 TRP 12 HD TRP 12 -5.190 1.351 0.330 86 HE1 TRP 12 1HE TRP 12 -6.319 3.239 -0.953 87 HE3 TRP 12 3HE TRP 12 -5.643 -0.930 -4.230 88 HZ2 TRP 12 2HZ TRP 12 -7.305 3.712 -3.633 89 HZ3 TRP 12 3HZ TRP 12 -6.681 0.269 -6.120 90 HH2 TRP 12 HH TRP 12 -7.516 2.584 -5.839 91 H LYS 13 H LYS 13 -6.621 -2.856 0.569 92 HA LYS 13 HA LYS 13 -4.748 -4.565 1.767 93 1HB LYS 13 1HB LYS 13 -6.799 -3.492 2.807 94 2HB LYS 13 2HB LYS 13 -7.767 -4.770 2.034 95 1HG LYS 13 1HG LYS 13 -5.688 -6.187 3.223 96 2HG LYS 13 2HG LYS 13 -6.029 -4.903 4.407 97 1HD LYS 13 1HD LYS 13 -7.826 -6.080 5.088 98 2HD LYS 13 2HD LYS 13 -8.553 -5.819 3.485 99 1HE LYS 13 1HE LYS 13 -6.971 -7.817 2.779 100 2HE LYS 13 2HE LYS 13 -6.990 -8.182 4.518 101 1HZ LYS 13 1HZ LYS 13 -8.993 -8.594 2.587 102 2HZ LYS 13 2HZ LYS 13 -8.880 -9.180 4.124 103 3HZ LYS 13 3HZ LYS 13 -9.572 -7.708 3.852 104 H LEU 14 H LEU 14 -6.031 -5.039 -1.192 105 HA LEU 14 HA LEU 14 -6.373 -7.971 -0.853 106 1HB LEU 14 1HB LEU 14 -7.200 -7.723 -3.291 107 2HB LEU 14 2HB LEU 14 -8.236 -7.072 -1.998 108 HG LEU 14 HG LEU 14 -7.709 -5.586 -4.108 109 1HD1 LEU 14 1HD1 LEU 14 -7.442 -3.570 -2.411 110 2HD1 LEU 14 2HD1 LEU 14 -8.937 -4.537 -2.422 111 3HD1 LEU 14 3HD1 LEU 14 -7.691 -4.838 -1.187 112 1HD2 LEU 14 1HD2 LEU 14 -5.639 -4.587 -4.248 113 2HD2 LEU 14 2HD2 LEU 14 -5.381 -4.633 -2.487 114 3HD2 LEU 14 3HD2 LEU 14 -5.137 -6.103 -3.461 115 H LEU 15 H LEU 15 -4.384 -5.439 -2.297 116 HA LEU 15 HA LEU 15 -2.757 -7.503 -3.679 117 1HB LEU 15 1HB LEU 15 -2.864 -4.470 -3.903 118 2HB LEU 15 2HB LEU 15 -1.709 -5.504 -4.779 119 HG LEU 15 HG LEU 15 -4.598 -5.056 -5.258 120 1HD1 LEU 15 1HD1 LEU 15 -3.332 -4.493 -7.100 121 2HD1 LEU 15 2HD1 LEU 15 -2.077 -5.702 -6.739 122 3HD1 LEU 15 3HD1 LEU 15 -3.609 -6.207 -7.489 123 1HD2 LEU 15 1HD2 LEU 15 -4.257 -7.466 -4.221 124 2HD2 LEU 15 2HD2 LEU 15 -5.246 -7.260 -5.687 125 3HD2 LEU 15 3HD2 LEU 15 -3.567 -7.835 -5.820 126 H LYS 16 H LYS 16 -2.961 -5.857 -0.752 127 HA LYS 16 HA LYS 16 -0.632 -4.814 0.024 128 1HB LYS 16 1HB LYS 16 -1.133 -6.977 1.868 129 2HB LYS 16 2HB LYS 16 -1.497 -5.244 2.049 130 1HG LYS 16 1HG LYS 16 -3.591 -6.444 2.210 131 2HG LYS 16 2HG LYS 16 -3.565 -5.626 0.629 132 1HD LYS 16 1HD LYS 16 -4.034 -7.664 -0.251 133 2HD LYS 16 2HD LYS 16 -2.334 -8.062 0.093 134 1HE LYS 16 1HE LYS 16 -4.201 -8.301 2.396 135 2HE LYS 16 2HE LYS 16 -4.459 -9.467 1.079 136 1HZ LYS 16 1HZ LYS 16 -2.270 -10.205 1.289 137 2HZ LYS 16 2HZ LYS 16 -1.844 -8.979 2.306 138 3HZ LYS 16 3HZ LYS 16 -2.880 -10.155 2.820 139 H LYS 17 H LYS 17 -0.881 -8.362 0.517 140 HA LYS 17 HA LYS 17 1.772 -8.957 0.734 141 1HB LYS 17 1HB LYS 17 0.282 -10.743 1.025 142 2HB LYS 17 2HB LYS 17 -0.531 -10.447 -0.531 143 1HG LYS 17 1HG LYS 17 0.785 -12.148 -1.285 144 2HG LYS 17 2HG LYS 17 2.057 -10.904 -1.346 145 1HD LYS 17 1HD LYS 17 2.958 -11.563 0.750 146 2HD LYS 17 2HD LYS 17 1.498 -12.484 1.183 147 1HE LYS 17 1HE LYS 17 2.195 -14.326 0.066 148 2HE LYS 17 2HE LYS 17 2.724 -13.376 -1.340 149 1HZ LYS 17 1HZ LYS 17 4.767 -13.604 -0.654 150 2HZ LYS 17 2HZ LYS 17 4.429 -12.874 0.786 151 3HZ LYS 17 3HZ LYS 17 4.277 -14.510 0.635 152 H TRP 18 H TRP 18 0.042 -8.019 -2.195 153 HA TRP 18 HA TRP 18 2.549 -8.446 -3.748 154 1HB TRP 18 1HB TRP 18 0.627 -7.925 -5.601 155 2HB TRP 18 2HB TRP 18 1.106 -9.545 -5.076 156 HD1 TRP 18 HD TRP 18 -1.831 -7.383 -5.432 157 HE1 TRP 18 1HE TRP 18 -3.887 -8.361 -4.290 158 HE3 TRP 18 3HE TRP 18 0.447 -11.023 -2.646 159 HZ2 TRP 18 2HZ TRP 18 -4.482 -10.466 -2.396 160 HZ3 TRP 18 3HZ TRP 18 -0.895 -12.492 -1.187 161 HH2 TRP 18 HH TRP 18 -3.354 -12.228 -1.050 162 H LYS 19 H LYS 19 0.572 -6.123 -2.228 163 HA LYS 19 HA LYS 19 1.498 -3.981 -4.070 164 1HB LYS 19 1HB LYS 19 -0.994 -4.365 -3.302 165 2HB LYS 19 2HB LYS 19 -0.448 -3.568 -1.807 166 1HG LYS 19 1HG LYS 19 -0.392 -1.541 -2.809 167 2HG LYS 19 2HG LYS 19 0.519 -2.180 -4.199 168 1HD LYS 19 1HD LYS 19 -1.696 -3.192 -5.003 169 2HD LYS 19 2HD LYS 19 -2.490 -2.189 -3.766 170 1HE LYS 19 1HE LYS 19 -1.174 -0.214 -4.799 171 2HE LYS 19 2HE LYS 19 -0.881 -1.299 -6.176 172 1HZ LYS 19 1HZ LYS 19 -2.957 0.243 -6.039 173 2HZ LYS 19 2HZ LYS 19 -3.022 -1.238 -6.762 174 3HZ LYS 19 3HZ LYS 19 -3.595 -1.043 -5.228 175 H MET 20 H MET 20 2.596 -5.600 -1.441 176 HA MET 20 HA MET 20 3.164 -4.067 0.668 177 1HB MET 20 1HB MET 20 5.165 -5.246 0.925 178 2HB MET 20 2HB MET 20 4.255 -6.293 -0.190 179 1HG MET 20 1HG MET 20 5.638 -4.283 -1.710 180 2HG MET 20 2HG MET 20 6.790 -5.040 -0.597 181 1HE MET 20 1HE MET 20 3.654 -7.148 -2.124 182 2HE MET 20 2HE MET 20 3.928 -5.634 -3.019 183 3HE MET 20 3HE MET 20 4.266 -7.199 -3.795 184 H ARG 21 H ARG 21 4.670 -2.428 1.292 185 HA ARG 21 HA ARG 21 5.949 -0.536 1.007 186 1HB ARG 21 1HB ARG 21 7.035 -1.994 -0.848 187 2HB ARG 21 2HB ARG 21 6.039 -1.042 -1.975 188 1HG ARG 21 1HG ARG 21 6.992 1.050 -0.888 189 2HG ARG 21 2HG ARG 21 8.130 -0.008 -0.020 190 1HD ARG 21 1HD ARG 21 8.036 -0.659 -2.862 191 2HD ARG 21 2HD ARG 21 8.444 1.052 -2.610 192 HE ARG 21 HE ARG 21 10.023 -0.370 -0.802 193 1HH1 ARG 21 2HH2 ARG 21 9.522 -0.257 -4.300 194 2HH1 ARG 21 1HH2 ARG 21 11.164 -0.721 -4.688 195 1HH2 ARG 21 2HH1 ARG 21 12.191 -0.983 -1.314 196 2HH2 ARG 21 1HH1 ARG 21 12.685 -1.135 -2.985 197 H ARG 22 H ARG 22 2.942 -1.206 -0.246 198 HA ARG 22 HA ARG 22 2.525 1.502 -1.365 199 1HB ARG 22 1HB ARG 22 0.991 -1.100 -1.384 200 2HB ARG 22 2HB ARG 22 0.170 0.437 -1.748 201 1HG ARG 22 1HG ARG 22 2.529 -0.815 -3.202 202 2HG ARG 22 2HG ARG 22 0.918 -0.432 -3.855 203 1HD ARG 22 1HD ARG 22 1.967 1.455 -4.601 204 2HD ARG 22 2HD ARG 22 1.657 2.022 -2.946 205 HE ARG 22 HE ARG 22 4.081 0.704 -2.769 206 1HH1 ARG 22 2HH2 ARG 22 2.754 3.327 -4.735 207 2HH1 ARG 22 1HH2 ARG 22 4.290 4.142 -4.929 208 1HH2 ARG 22 2HH1 ARG 22 6.109 1.781 -3.026 209 2HH2 ARG 22 1HH1 ARG 22 6.203 3.260 -3.955 210 H ASN 23 H ASN 23 3.064 2.135 1.036 211 HA ASN 23 HA ASN 23 0.591 1.963 2.676 212 1HB ASN 23 1HB ASN 23 2.565 1.198 3.830 213 2HB ASN 23 2HB ASN 23 3.476 2.643 3.343 214 1HD2 ASN 23 1HD2 ASN 23 0.395 1.761 5.014 215 2HD2 ASN 23 2HD2 ASN 23 0.520 2.989 6.255 216 H GLN 24 H GLN 24 2.873 4.465 3.368 217 HA GLN 24 HA GLN 24 1.703 6.507 1.696 218 1HB GLN 24 1HB GLN 24 0.186 5.812 3.934 219 2HB GLN 24 2HB GLN 24 1.110 7.235 4.470 220 1HG GLN 24 1HG GLN 24 0.417 8.218 2.128 221 2HG GLN 24 2HG GLN 24 -0.855 6.978 2.192 222 1HE2 GLN 24 1HE2 GLN 24 -2.740 7.664 3.018 223 2HE2 GLN 24 2HE2 GLN 24 -2.931 8.910 4.233 224 H PHE 25 H PHE 25 3.314 5.810 4.840 225 HA PHE 25 HA PHE 25 5.153 8.080 4.291 226 1HB PHE 25 1HB PHE 25 4.120 8.293 6.417 227 2HB PHE 25 2HB PHE 25 4.351 6.577 6.790 228 HD1 PHE 25 1HD PHE 25 6.946 5.821 6.685 229 HD2 PHE 25 2HD PHE 25 5.518 9.794 7.479 230 HE1 PHE 25 1HE PHE 25 9.076 6.356 7.837 231 HE2 PHE 25 2HE PHE 25 7.648 10.329 8.631 232 HZ PHE 25 HZ PHE 25 9.427 8.610 8.810 233 H TRP 26 H TRP 26 5.018 4.602 5.162 234 HA TRP 26 HA TRP 26 7.935 4.402 4.739 235 1HB TRP 26 1HB TRP 26 7.441 1.987 5.436 236 2HB TRP 26 2HB TRP 26 7.262 3.251 6.660 237 HD1 TRP 26 HD TRP 26 5.385 0.553 4.864 238 HE1 TRP 26 1HE TRP 26 2.998 0.371 5.731 239 HE3 TRP 26 3HE TRP 26 5.220 4.826 7.678 240 HZ2 TRP 26 2HZ TRP 26 1.221 1.889 7.438 241 HZ3 TRP 26 3HZ TRP 26 3.166 5.423 8.908 242 HH2 TRP 26 HH TRP 26 1.163 3.970 8.799 243 H VAL 27 H VAL 27 6.005 4.996 2.533 244 HA VAL 27 HA VAL 27 5.687 2.589 0.982 245 HB VAL 27 HB VAL 27 5.277 4.312 -0.873 246 1HG1 VAL 27 1HG1 VAL 27 3.228 3.752 -0.064 247 2HG1 VAL 27 2HG1 VAL 27 3.785 3.803 1.626 248 3HG1 VAL 27 3HG1 VAL 27 3.307 5.306 0.801 249 1HG2 VAL 27 1HG2 VAL 27 4.857 6.497 0.979 250 2HG2 VAL 27 2HG2 VAL 27 6.558 5.976 1.048 251 3HG2 VAL 27 3HG2 VAL 27 5.839 6.463 -0.506 252 H LYS 28 H LYS 28 8.145 2.140 1.658 253 HA LYS 28 HA LYS 28 9.659 1.777 -0.560 254 1HB LYS 28 1HB LYS 28 9.677 4.633 0.221 255 2HB LYS 28 2HB LYS 28 11.289 3.919 -0.025 256 1HG LYS 28 1HG LYS 28 9.291 3.141 -2.066 257 2HG LYS 28 2HG LYS 28 9.671 4.879 -2.042 258 1HD LYS 28 1HD LYS 28 12.153 3.568 -1.732 259 2HD LYS 28 2HD LYS 28 11.291 2.652 -2.991 260 1HE LYS 28 1HE LYS 28 10.939 4.637 -4.307 261 2HE LYS 28 2HE LYS 28 11.506 5.684 -2.987 262 1HZ LYS 28 1HZ LYS 28 13.278 5.502 -4.409 263 2HZ LYS 28 2HZ LYS 28 13.643 4.410 -3.229 264 3HZ LYS 28 3HZ LYS 28 13.063 3.889 -4.682 265 H VAL 29 H VAL 29 9.242 0.587 1.929 266 HA VAL 29 HA VAL 29 11.933 0.830 3.193 267 HB VAL 29 HB VAL 29 9.278 -0.054 4.393 268 1HG1 VAL 29 1HG1 VAL 29 10.694 -1.224 5.751 269 2HG1 VAL 29 2HG1 VAL 29 12.118 -0.290 5.235 270 3HG1 VAL 29 3HG1 VAL 29 11.019 0.373 6.467 271 1HG2 VAL 29 1HG2 VAL 29 9.672 2.009 5.811 272 2HG2 VAL 29 2HG2 VAL 29 11.002 2.437 4.708 273 3HG2 VAL 29 3HG2 VAL 29 9.332 2.350 4.097 274 H GLN 30 H GLN 30 11.142 -0.742 0.791 275 HA GLN 30 HA GLN 30 11.122 -3.512 1.785 276 1HB GLN 30 1HB GLN 30 10.050 -2.247 -0.439 277 2HB GLN 30 2HB GLN 30 11.483 -3.069 -1.100 278 1HG GLN 30 1HG GLN 30 9.437 -4.508 -1.127 279 2HG GLN 30 2HG GLN 30 10.756 -5.195 -0.155 280 1HE2 GLN 30 1HE2 GLN 30 9.448 -6.440 1.207 281 2HE2 GLN 30 2HE2 GLN 30 8.360 -5.730 2.381 282 H ARG 31 H ARG 31 12.824 -4.946 1.604 283 HA ARG 31 HA ARG 31 15.404 -4.177 1.964 284 1HB ARG 31 1HB ARG 31 14.043 -6.586 0.974 285 2HB ARG 31 2HB ARG 31 15.711 -6.433 0.371 286 1HG ARG 31 1HG ARG 31 15.456 -5.726 3.216 287 2HG ARG 31 2HG ARG 31 14.972 -7.404 2.875 288 1HD ARG 31 1HD ARG 31 17.130 -7.623 1.532 289 2HD ARG 31 2HD ARG 31 17.614 -6.054 2.212 290 HE ARG 31 HE ARG 31 17.544 -8.629 3.582 291 1HH1 ARG 31 2HH2 ARG 31 17.451 -5.110 3.916 292 2HH1 ARG 31 1HH2 ARG 31 18.041 -5.114 5.563 293 1HH2 ARG 31 2HH1 ARG 31 18.323 -8.634 5.757 294 2HH2 ARG 31 1HH1 ARG 31 18.538 -7.123 6.612 295 H GLY 32 H GLY 32 13.924 -4.861 -1.258 296 1HA GLY 32 1HA GLY 32 14.592 -2.963 -2.880 297 2HA GLY 32 2HA GLY 32 16.249 -3.488 -2.506 Start of MODEL 9 1 HA PRO 1 HA PRO 1 -18.899 -4.686 -1.782 2 1HB PRO 1 1HB PRO 1 -19.601 -2.566 -0.221 3 2HB PRO 1 2HB PRO 1 -19.913 -4.258 0.286 4 1HG PRO 1 1HG PRO 1 -17.552 -2.516 1.049 5 2HG PRO 1 2HG PRO 1 -18.636 -3.423 2.153 6 1HD PRO 1 1HD PRO 1 -16.252 -4.459 1.334 7 2HD PRO 1 2HD PRO 1 -17.697 -5.506 1.470 8 HA PRO 2 HA PRO 2 -16.696 -1.649 -4.116 9 1HB PRO 2 1HB PRO 2 -18.712 -0.720 -5.696 10 2HB PRO 2 2HB PRO 2 -18.104 -2.402 -5.830 11 1HG PRO 2 1HG PRO 2 -20.501 -1.435 -4.246 12 2HG PRO 2 2HG PRO 2 -20.455 -2.769 -5.444 13 1HD PRO 2 1HD PRO 2 -20.217 -3.250 -2.771 14 2HD PRO 2 2HD PRO 2 -19.221 -4.158 -3.948 15 H LEU 3 H LEU 3 -16.000 0.080 -2.942 16 HA LEU 3 HA LEU 3 -17.424 2.500 -2.894 17 1HB LEU 3 1HB LEU 3 -18.489 0.741 -1.013 18 2HB LEU 3 2HB LEU 3 -17.371 1.748 -0.061 19 HG LEU 3 HG LEU 3 -19.576 2.815 -0.132 20 1HD1 LEU 3 1HD1 LEU 3 -18.784 4.938 -0.578 21 2HD1 LEU 3 2HD1 LEU 3 -17.236 4.059 -0.582 22 3HD1 LEU 3 3HD1 LEU 3 -18.040 4.452 -2.121 23 1HD2 LEU 3 1HD2 LEU 3 -20.457 3.591 -2.367 24 2HD2 LEU 3 2HD2 LEU 3 -19.202 2.599 -3.148 25 3HD2 LEU 3 3HD2 LEU 3 -20.466 1.822 -2.164 26 H SER 4 H SER 4 -16.037 4.148 -2.370 27 HA SER 4 HA SER 4 -13.749 3.674 -0.631 28 1HB SER 4 1HB SER 4 -12.392 2.959 -2.291 29 2HB SER 4 2HB SER 4 -13.542 3.447 -3.559 30 HG SER 4 HG SER 4 -11.707 4.722 -3.697 31 H GLN 5 H GLN 5 -13.714 5.481 0.557 32 HA GLN 5 HA GLN 5 -13.782 8.081 -0.812 33 1HB GLN 5 1HB GLN 5 -16.074 6.959 0.545 34 2HB GLN 5 2HB GLN 5 -15.486 8.382 1.439 35 1HG GLN 5 1HG GLN 5 -16.748 9.512 -0.100 36 2HG GLN 5 2HG GLN 5 -15.290 9.321 -1.099 37 1HE2 GLN 5 1HE2 GLN 5 -17.203 9.654 -2.731 38 2HE2 GLN 5 2HE2 GLN 5 -17.915 8.181 -3.352 39 H GLU 6 H GLU 6 -14.482 7.446 2.615 40 HA GLU 6 HA GLU 6 -11.709 8.340 3.252 41 1HB GLU 6 1HB GLU 6 -12.617 9.604 5.120 42 2HB GLU 6 2HB GLU 6 -13.442 10.110 3.626 43 1HG GLU 6 1HG GLU 6 -14.986 7.973 4.497 44 2HG GLU 6 2HG GLU 6 -14.521 8.768 6.017 45 H THR 7 H THR 7 -12.327 5.635 2.944 46 HA THR 7 HA THR 7 -11.566 4.622 5.509 47 HB THR 7 HB THR 7 -14.454 4.657 4.808 48 HG1 THR 7 1HG THR 7 -12.954 4.244 7.186 49 1HG2 THR 7 1HG2 THR 7 -14.659 2.407 4.675 50 2HG2 THR 7 2HG2 THR 7 -12.959 2.157 5.140 51 3HG2 THR 7 3HG2 THR 7 -14.204 2.362 6.395 52 H PHE 8 H PHE 8 -13.812 2.857 3.424 53 HA PHE 8 HA PHE 8 -12.138 0.685 2.976 54 1HB PHE 8 1HB PHE 8 -13.642 0.782 0.683 55 2HB PHE 8 2HB PHE 8 -14.178 0.109 2.231 56 HD1 PHE 8 1HD PHE 8 -13.672 3.712 1.403 57 HD2 PHE 8 2HD PHE 8 -16.494 0.567 2.173 58 HE1 PHE 8 1HE PHE 8 -15.505 5.380 1.496 59 HE2 PHE 8 2HE PHE 8 -18.327 2.234 2.266 60 HZ PHE 8 HZ PHE 8 -17.833 4.641 1.927 61 H SER 9 H SER 9 -11.949 3.881 1.652 62 HA SER 9 HA SER 9 -10.498 3.123 -0.750 63 1HB SER 9 1HB SER 9 -11.922 5.222 -0.395 64 2HB SER 9 2HB SER 9 -10.578 5.844 0.592 65 HG SER 9 HG SER 9 -10.417 6.458 -1.613 66 H ASP 10 H ASP 10 -9.765 3.731 2.616 67 HA ASP 10 HA ASP 10 -7.021 4.465 2.310 68 1HB ASP 10 1HB ASP 10 -8.808 4.320 4.381 69 2HB ASP 10 2HB ASP 10 -7.790 2.899 4.704 70 H LEU 11 H LEU 11 -8.760 1.435 2.082 71 HA LEU 11 HA LEU 11 -6.334 -0.177 2.426 72 1HB LEU 11 1HB LEU 11 -8.347 -1.806 1.401 73 2HB LEU 11 2HB LEU 11 -7.963 -1.572 3.124 74 HG LEU 11 HG LEU 11 -10.225 -1.006 3.094 75 1HD1 LEU 11 1HD1 LEU 11 -9.347 1.721 2.213 76 2HD1 LEU 11 2HD1 LEU 11 -10.259 1.231 3.661 77 3HD1 LEU 11 3HD1 LEU 11 -8.496 0.996 3.598 78 1HD2 LEU 11 1HD2 LEU 11 -9.803 0.426 0.438 79 2HD2 LEU 11 2HD2 LEU 11 -10.380 -1.251 0.589 80 3HD2 LEU 11 3HD2 LEU 11 -11.356 0.087 1.240 81 H TRP 12 H TRP 12 -8.608 -1.096 -0.051 82 HA TRP 12 HA TRP 12 -7.620 -1.937 -2.124 83 1HB TRP 12 1HB TRP 12 -8.162 0.929 -2.786 84 2HB TRP 12 2HB TRP 12 -8.690 -0.543 -3.614 85 HD1 TRP 12 HD TRP 12 -10.292 2.145 -2.189 86 HE1 TRP 12 1HE TRP 12 -12.467 1.615 -0.973 87 HE3 TRP 12 3HE TRP 12 -9.641 -2.888 -1.527 88 HZ2 TRP 12 2HZ TRP 12 -13.774 -0.707 0.154 89 HZ3 TRP 12 3HZ TRP 12 -11.369 -4.224 -0.380 90 HH2 TRP 12 HH TRP 12 -13.437 -3.152 0.465 91 H LYS 13 H LYS 13 -6.211 1.067 -0.828 92 HA LYS 13 HA LYS 13 -4.277 1.594 -2.763 93 1HB LYS 13 1HB LYS 13 -4.432 3.180 -1.062 94 2HB LYS 13 2HB LYS 13 -4.427 1.952 0.226 95 1HG LYS 13 1HG LYS 13 -2.097 1.580 0.024 96 2HG LYS 13 2HG LYS 13 -2.025 2.343 -1.582 97 1HD LYS 13 1HD LYS 13 -3.068 4.347 0.072 98 2HD LYS 13 2HD LYS 13 -1.822 3.565 1.075 99 1HE LYS 13 1HE LYS 13 -0.507 3.697 -1.303 100 2HE LYS 13 2HE LYS 13 -1.546 5.132 -1.446 101 1HZ LYS 13 1HZ LYS 13 -0.644 6.008 0.487 102 2HZ LYS 13 2HZ LYS 13 0.094 4.598 0.918 103 3HZ LYS 13 3HZ LYS 13 0.650 5.458 -0.374 104 H LEU 14 H LEU 14 -4.675 -1.247 -0.938 105 HA LEU 14 HA LEU 14 -1.841 -1.944 -0.807 106 1HB LEU 14 1HB LEU 14 -2.897 -4.210 -0.141 107 2HB LEU 14 2HB LEU 14 -3.145 -2.829 0.954 108 HG LEU 14 HG LEU 14 -5.196 -4.345 0.197 109 1HD1 LEU 14 1HD1 LEU 14 -6.519 -2.013 0.079 110 2HD1 LEU 14 2HD1 LEU 14 -5.789 -2.599 1.592 111 3HD1 LEU 14 3HD1 LEU 14 -4.941 -1.383 0.607 112 1HD2 LEU 14 1HD2 LEU 14 -6.101 -3.927 -1.877 113 2HD2 LEU 14 2HD2 LEU 14 -5.497 -2.253 -1.920 114 3HD2 LEU 14 3HD2 LEU 14 -4.397 -3.605 -2.278 115 H LEU 15 H LEU 15 -4.628 -2.461 -2.927 116 HA LEU 15 HA LEU 15 -3.193 -4.479 -4.506 117 1HB LEU 15 1HB LEU 15 -5.943 -3.224 -4.559 118 2HB LEU 15 2HB LEU 15 -5.342 -4.160 -5.949 119 HG LEU 15 HG LEU 15 -6.507 -5.173 -3.574 120 1HD1 LEU 15 1HD1 LEU 15 -6.421 -7.196 -4.739 121 2HD1 LEU 15 2HD1 LEU 15 -6.237 -6.023 -6.065 122 3HD1 LEU 15 3HD1 LEU 15 -4.808 -6.858 -5.411 123 1HD2 LEU 15 1HD2 LEU 15 -4.783 -5.548 -2.165 124 2HD2 LEU 15 2HD2 LEU 15 -4.147 -6.699 -3.366 125 3HD2 LEU 15 3HD2 LEU 15 -3.600 -5.005 -3.380 126 H LYS 16 H LYS 16 -3.024 -1.176 -4.193 127 HA LYS 16 HA LYS 16 -2.556 -0.753 -7.100 128 1HB LYS 16 1HB LYS 16 -2.602 1.480 -5.093 129 2HB LYS 16 2HB LYS 16 -3.132 1.466 -6.792 130 1HG LYS 16 1HG LYS 16 -4.569 0.461 -4.333 131 2HG LYS 16 2HG LYS 16 -5.180 1.482 -5.656 132 1HD LYS 16 1HD LYS 16 -4.397 -0.889 -6.929 133 2HD LYS 16 2HD LYS 16 -5.152 -1.438 -5.414 134 1HE LYS 16 1HE LYS 16 -6.965 -1.261 -6.920 135 2HE LYS 16 2HE LYS 16 -7.042 0.242 -5.974 136 1HZ LYS 16 1HZ LYS 16 -5.925 1.358 -7.741 137 2HZ LYS 16 2HZ LYS 16 -5.786 -0.035 -8.612 138 3HZ LYS 16 3HZ LYS 16 -7.275 0.615 -8.328 139 H LYS 17 H LYS 17 -1.214 0.312 -3.917 140 HA LYS 17 HA LYS 17 1.382 0.819 -5.119 141 1HB LYS 17 1HB LYS 17 1.930 1.760 -3.071 142 2HB LYS 17 2HB LYS 17 0.159 1.939 -3.052 143 1HG LYS 17 1HG LYS 17 0.049 -0.304 -1.860 144 2HG LYS 17 2HG LYS 17 1.820 -0.227 -1.704 145 1HD LYS 17 1HD LYS 17 -0.173 1.820 -0.639 146 2HD LYS 17 2HD LYS 17 0.753 0.650 0.331 147 1HE LYS 17 1HE LYS 17 2.639 1.997 -1.306 148 2HE LYS 17 2HE LYS 17 1.561 3.252 -0.660 149 1HZ LYS 17 1HZ LYS 17 1.973 2.399 1.524 150 2HZ LYS 17 2HZ LYS 17 2.963 1.222 0.930 151 3HZ LYS 17 3HZ LYS 17 3.394 2.809 0.796 152 H TRP 18 H TRP 18 -0.254 -1.971 -4.169 153 HA TRP 18 HA TRP 18 0.660 -3.896 -3.005 154 1HB TRP 18 1HB TRP 18 1.400 -3.601 -5.910 155 2HB TRP 18 2HB TRP 18 1.839 -5.064 -5.017 156 HD1 TRP 18 HD TRP 18 -0.606 -5.860 -3.478 157 HE1 TRP 18 1HE TRP 18 -2.829 -6.479 -4.555 158 HE3 TRP 18 3HE TRP 18 -0.026 -3.464 -7.964 159 HZ2 TRP 18 2HZ TRP 18 -4.200 -5.999 -7.058 160 HZ3 TRP 18 3HZ TRP 18 -1.809 -3.568 -9.667 161 HH2 TRP 18 HH TRP 18 -3.896 -4.829 -9.231 162 H LYS 19 H LYS 19 3.147 -2.041 -4.829 163 HA LYS 19 HA LYS 19 5.351 -3.385 -3.553 164 1HB LYS 19 1HB LYS 19 4.962 -0.990 -5.327 165 2HB LYS 19 2HB LYS 19 6.508 -1.175 -4.464 166 1HG LYS 19 1HG LYS 19 7.113 -3.033 -5.670 167 2HG LYS 19 2HG LYS 19 5.438 -3.619 -5.807 168 1HD LYS 19 1HD LYS 19 5.313 -1.295 -7.267 169 2HD LYS 19 2HD LYS 19 6.979 -1.824 -7.600 170 1HE LYS 19 1HE LYS 19 6.289 -3.836 -8.570 171 2HE LYS 19 2HE LYS 19 4.724 -3.822 -7.729 172 1HZ LYS 19 1HZ LYS 19 3.838 -2.733 -9.388 173 2HZ LYS 19 2HZ LYS 19 5.026 -1.590 -9.413 174 3HZ LYS 19 3HZ LYS 19 5.214 -2.993 -10.259 175 H MET 20 H MET 20 3.032 -1.586 -2.155 176 HA MET 20 HA MET 20 3.773 0.524 -0.774 177 1HB MET 20 1HB MET 20 2.406 -0.170 0.939 178 2HB MET 20 2HB MET 20 1.980 -1.407 -0.268 179 1HG MET 20 1HG MET 20 3.707 -2.906 0.686 180 2HG MET 20 2HG MET 20 4.087 -1.681 1.907 181 1HE MET 20 1HE MET 20 -0.131 -1.785 2.760 182 2HE MET 20 2HE MET 20 1.128 -0.557 2.484 183 3HE MET 20 3HE MET 20 0.458 -1.469 1.110 184 H ARG 21 H ARG 21 5.287 1.281 0.656 185 HA ARG 21 HA ARG 21 7.121 1.257 2.059 186 1HB ARG 21 1HB ARG 21 6.130 -1.157 2.606 187 2HB ARG 21 2HB ARG 21 7.568 -1.689 1.703 188 1HG ARG 21 1HG ARG 21 9.024 -0.922 3.303 189 2HG ARG 21 2HG ARG 21 7.997 0.472 3.718 190 1HD ARG 21 1HD ARG 21 7.743 -0.843 5.620 191 2HD ARG 21 2HD ARG 21 6.365 -1.391 4.642 192 HE ARG 21 HE ARG 21 8.324 -3.120 3.881 193 1HH1 ARG 21 2HH2 ARG 21 7.159 -2.016 7.032 194 2HH1 ARG 21 1HH2 ARG 21 7.545 -3.512 7.852 195 1HH2 ARG 21 2HH1 ARG 21 8.834 -5.096 4.965 196 2HH2 ARG 21 1HH1 ARG 21 8.500 -5.268 6.673 197 H ARG 22 H ARG 22 6.884 0.610 -1.132 198 HA ARG 22 HA ARG 22 9.741 0.044 -1.596 199 1HB ARG 22 1HB ARG 22 7.210 -0.066 -3.150 200 2HB ARG 22 2HB ARG 22 8.650 0.445 -4.062 201 1HG ARG 22 1HG ARG 22 8.151 -2.100 -3.920 202 2HG ARG 22 2HG ARG 22 9.813 -1.563 -3.578 203 1HD ARG 22 1HD ARG 22 9.648 -2.615 -1.593 204 2HD ARG 22 2HD ARG 22 8.476 -1.369 -1.114 205 HE ARG 22 HE ARG 22 6.841 -3.054 -2.388 206 1HH1 ARG 22 2HH2 ARG 22 9.499 -3.710 -0.152 207 2HH1 ARG 22 1HH2 ARG 22 8.791 -5.183 0.473 208 1HH2 ARG 22 2HH1 ARG 22 5.906 -4.999 -1.563 209 2HH2 ARG 22 1HH1 ARG 22 6.743 -5.918 -0.332 210 H ASN 23 H ASN 23 10.014 2.241 -0.345 211 HA ASN 23 HA ASN 23 9.840 4.469 -2.315 212 1HB ASN 23 1HB ASN 23 8.612 4.881 -0.247 213 2HB ASN 23 2HB ASN 23 10.047 4.476 0.719 214 1HD2 ASN 23 1HD2 ASN 23 8.708 6.787 -1.659 215 2HD2 ASN 23 2HD2 ASN 23 9.762 8.119 -1.235 216 H GLN 24 H GLN 24 11.831 4.905 0.459 217 HA GLN 24 HA GLN 24 14.267 4.186 -1.084 218 1HB GLN 24 1HB GLN 24 13.530 6.848 0.155 219 2HB GLN 24 2HB GLN 24 15.228 6.375 -0.087 220 1HG GLN 24 1HG GLN 24 13.452 5.920 -2.421 221 2HG GLN 24 2HG GLN 24 13.683 7.625 -1.978 222 1HE2 GLN 24 1HE2 GLN 24 16.094 8.171 -1.413 223 2HE2 GLN 24 2HE2 GLN 24 17.281 7.554 -2.542 224 H PHE 25 H PHE 25 14.772 6.090 1.706 225 HA PHE 25 HA PHE 25 16.303 4.352 3.126 226 1HB PHE 25 1HB PHE 25 14.558 5.725 4.977 227 2HB PHE 25 2HB PHE 25 16.266 6.020 4.611 228 HD1 PHE 25 1HD PHE 25 13.067 6.434 2.671 229 HD2 PHE 25 2HD PHE 25 16.660 8.252 4.167 230 HE1 PHE 25 1HE PHE 25 12.460 8.559 1.546 231 HE2 PHE 25 2HE PHE 25 16.053 10.377 3.041 232 HZ PHE 25 HZ PHE 25 13.953 10.531 1.731 233 H TRP 26 H TRP 26 12.778 4.291 2.833 234 HA TRP 26 HA TRP 26 12.725 1.954 4.680 235 1HB TRP 26 1HB TRP 26 10.332 2.425 4.900 236 2HB TRP 26 2HB TRP 26 11.317 3.815 5.378 237 HD1 TRP 26 HD TRP 26 8.792 2.667 2.793 238 HE1 TRP 26 1HE TRP 26 7.930 4.655 1.454 239 HE3 TRP 26 3HE TRP 26 12.017 6.254 4.506 240 HZ2 TRP 26 2HZ TRP 26 8.556 7.465 1.155 241 HZ3 TRP 26 3HZ TRP 26 11.853 8.570 3.672 242 HH2 TRP 26 HH TRP 26 10.133 9.191 2.001 243 H VAL 27 H VAL 27 13.778 1.180 2.404 244 HA VAL 27 HA VAL 27 11.600 0.365 0.572 245 HB VAL 27 HB VAL 27 13.602 -0.471 -0.789 246 1HG1 VAL 27 1HG1 VAL 27 12.928 1.490 -1.733 247 2HG1 VAL 27 2HG1 VAL 27 12.767 2.301 -0.157 248 3HG1 VAL 27 3HG1 VAL 27 14.364 2.173 -0.934 249 1HG2 VAL 27 1HG2 VAL 27 14.928 0.066 1.643 250 2HG2 VAL 27 2HG2 VAL 27 15.680 -0.346 0.084 251 3HG2 VAL 27 3HG2 VAL 27 15.445 1.359 0.535 252 H LYS 28 H LYS 28 14.099 -1.782 0.230 253 HA LYS 28 HA LYS 28 12.557 -3.901 1.531 254 1HB LYS 28 1HB LYS 28 15.092 -3.881 -0.149 255 2HB LYS 28 2HB LYS 28 14.322 -5.356 0.482 256 1HG LYS 28 1HG LYS 28 12.157 -4.461 -0.644 257 2HG LYS 28 2HG LYS 28 13.242 -3.371 -1.539 258 1HD LYS 28 1HD LYS 28 13.666 -5.056 -2.976 259 2HD LYS 28 2HD LYS 28 14.441 -5.944 -1.642 260 1HE LYS 28 1HE LYS 28 12.618 -7.283 -1.295 261 2HE LYS 28 2HE LYS 28 11.463 -5.988 -1.680 262 1HZ LYS 28 1HZ LYS 28 12.805 -7.844 -3.451 263 2HZ LYS 28 2HZ LYS 28 11.241 -7.319 -3.458 264 3HZ LYS 28 3HZ LYS 28 12.441 -6.342 -4.029 265 H VAL 29 H VAL 29 13.549 -2.023 3.393 266 HA VAL 29 HA VAL 29 16.044 -2.927 4.524 267 HB VAL 29 HB VAL 29 15.135 -1.558 6.521 268 1HG1 VAL 29 1HG1 VAL 29 15.255 -0.144 3.828 269 2HG1 VAL 29 2HG1 VAL 29 15.709 0.510 5.420 270 3HG1 VAL 29 3HG1 VAL 29 16.694 -0.769 4.669 271 1HG2 VAL 29 1HG2 VAL 29 13.212 -0.306 4.629 272 2HG2 VAL 29 2HG2 VAL 29 12.731 -1.899 5.259 273 3HG2 VAL 29 3HG2 VAL 29 13.081 -0.565 6.385 274 H GLN 30 H GLN 30 15.284 -5.293 4.326 275 HA GLN 30 HA GLN 30 14.784 -7.228 5.442 276 1HB GLN 30 1HB GLN 30 15.626 -5.420 7.428 277 2HB GLN 30 2HB GLN 30 14.129 -6.144 8.063 278 1HG GLN 30 1HG GLN 30 16.369 -7.793 6.840 279 2HG GLN 30 2HG GLN 30 16.292 -7.411 8.574 280 1HE2 GLN 30 1HE2 GLN 30 14.699 -9.102 5.881 281 2HE2 GLN 30 2HE2 GLN 30 13.712 -10.156 6.871 282 H ARG 31 H ARG 31 12.872 -7.670 4.343 283 HA ARG 31 HA ARG 31 10.387 -6.392 4.870 284 1HB ARG 31 1HB ARG 31 9.462 -8.480 3.742 285 2HB ARG 31 2HB ARG 31 10.687 -7.582 2.813 286 1HG ARG 31 1HG ARG 31 12.064 -9.439 4.507 287 2HG ARG 31 2HG ARG 31 10.758 -10.323 3.682 288 1HD ARG 31 1HD ARG 31 11.633 -9.933 1.578 289 2HD ARG 31 2HD ARG 31 12.392 -8.401 2.060 290 HE ARG 31 HE ARG 31 13.742 -10.385 3.482 291 1HH1 ARG 31 2HH2 ARG 31 13.091 -9.588 0.099 292 2HH1 ARG 31 1HH2 ARG 31 14.580 -10.287 -0.495 293 1HH2 ARG 31 2HH1 ARG 31 15.710 -11.308 2.697 294 2HH2 ARG 31 1HH1 ARG 31 16.074 -11.267 0.986 295 H GLY 32 H GLY 32 12.144 -8.999 6.461 296 1HA GLY 32 1HA GLY 32 9.992 -10.236 7.825 297 2HA GLY 32 2HA GLY 32 11.686 -10.198 8.364 Start of MODEL 10 1 HA PRO 1 HA PRO 1 -10.877 6.868 -9.076 2 1HB PRO 1 1HB PRO 1 -11.133 5.745 -6.607 3 2HB PRO 1 2HB PRO 1 -10.307 4.893 -7.952 4 1HG PRO 1 1HG PRO 1 -9.023 6.547 -5.759 5 2HG PRO 1 2HG PRO 1 -8.600 4.874 -6.249 6 1HD PRO 1 1HD PRO 1 -7.233 7.026 -7.214 7 2HD PRO 1 2HD PRO 1 -7.625 5.646 -8.284 8 HA PRO 2 HA PRO 2 -12.272 10.538 -7.048 9 1HB PRO 2 1HB PRO 2 -14.965 10.136 -7.159 10 2HB PRO 2 2HB PRO 2 -13.985 10.388 -8.640 11 1HG PRO 2 1HG PRO 2 -14.838 7.743 -7.428 12 2HG PRO 2 2HG PRO 2 -15.057 8.284 -9.125 13 1HD PRO 2 1HD PRO 2 -12.942 6.728 -8.391 14 2HD PRO 2 2HD PRO 2 -12.724 8.059 -9.567 15 H LEU 3 H LEU 3 -11.336 10.069 -4.967 16 HA LEU 3 HA LEU 3 -11.525 9.841 -2.693 17 1HB LEU 3 1HB LEU 3 -13.536 10.805 -2.266 18 2HB LEU 3 2HB LEU 3 -14.343 9.943 -3.597 19 HG LEU 3 HG LEU 3 -14.233 7.843 -2.176 20 1HD1 LEU 3 1HD1 LEU 3 -12.375 8.859 -0.709 21 2HD1 LEU 3 2HD1 LEU 3 -13.669 9.776 0.099 22 3HD1 LEU 3 3HD1 LEU 3 -13.680 7.997 0.140 23 1HD2 LEU 3 1HD2 LEU 3 -15.849 9.249 -0.361 24 2HD2 LEU 3 2HD2 LEU 3 -15.908 10.221 -1.851 25 3HD2 LEU 3 3HD2 LEU 3 -16.376 8.504 -1.889 26 H SER 4 H SER 4 -10.925 8.153 -1.426 27 HA SER 4 HA SER 4 -12.162 5.552 -1.638 28 1HB SER 4 1HB SER 4 -10.920 4.828 -3.388 29 2HB SER 4 2HB SER 4 -9.771 6.181 -3.252 30 HG SER 4 HG SER 4 -9.102 3.883 -2.697 31 H GLN 5 H GLN 5 -12.396 5.658 0.586 32 HA GLN 5 HA GLN 5 -10.565 4.589 2.274 33 1HB GLN 5 1HB GLN 5 -8.850 6.143 1.981 34 2HB GLN 5 2HB GLN 5 -9.977 7.510 1.812 35 1HG GLN 5 1HG GLN 5 -10.378 7.630 4.123 36 2HG GLN 5 2HG GLN 5 -9.837 5.960 4.402 37 1HE2 GLN 5 1HE2 GLN 5 -9.022 9.039 5.072 38 2HE2 GLN 5 2HE2 GLN 5 -7.275 8.928 5.071 39 H GLU 6 H GLU 6 -13.038 7.006 1.705 40 HA GLU 6 HA GLU 6 -14.135 6.406 4.411 41 1HB GLU 6 1HB GLU 6 -15.153 8.752 4.218 42 2HB GLU 6 2HB GLU 6 -13.401 8.668 4.522 43 1HG GLU 6 1HG GLU 6 -13.029 8.870 2.040 44 2HG GLU 6 2HG GLU 6 -14.777 9.128 1.845 45 H THR 7 H THR 7 -14.860 4.659 2.569 46 HA THR 7 HA THR 7 -17.639 4.867 2.385 47 HB THR 7 HB THR 7 -16.288 6.451 0.388 48 HG1 THR 7 1HG THR 7 -18.982 5.719 0.903 49 1HG2 THR 7 1HG2 THR 7 -17.267 3.809 -0.486 50 2HG2 THR 7 2HG2 THR 7 -18.013 5.165 -1.364 51 3HG2 THR 7 3HG2 THR 7 -16.242 4.984 -1.344 52 H PHE 8 H PHE 8 -15.506 3.981 -0.353 53 HA PHE 8 HA PHE 8 -16.403 1.189 -0.042 54 1HB PHE 8 1HB PHE 8 -14.715 1.335 -2.236 55 2HB PHE 8 2HB PHE 8 -16.484 1.429 -2.266 56 HD1 PHE 8 1HD PHE 8 -13.943 3.925 -1.092 57 HD2 PHE 8 2HD PHE 8 -17.029 2.974 -3.925 58 HE1 PHE 8 1HE PHE 8 -13.806 6.224 -2.013 59 HE2 PHE 8 2HE PHE 8 -16.892 5.273 -4.845 60 HZ PHE 8 HZ PHE 8 -15.281 6.898 -3.889 61 H SER 9 H SER 9 -13.812 3.201 0.888 62 HA SER 9 HA SER 9 -11.434 2.177 0.683 63 1HB SER 9 1HB SER 9 -12.372 3.636 2.600 64 2HB SER 9 2HB SER 9 -12.598 2.104 3.478 65 HG SER 9 HG SER 9 -10.146 2.449 2.241 66 H ASP 10 H ASP 10 -14.107 0.320 2.151 67 HA ASP 10 HA ASP 10 -12.883 -1.886 3.176 68 1HB ASP 10 1HB ASP 10 -14.893 -3.050 1.703 69 2HB ASP 10 2HB ASP 10 -15.112 -2.246 3.272 70 H LEU 11 H LEU 11 -13.408 -1.208 -0.312 71 HA LEU 11 HA LEU 11 -12.253 -3.664 -1.221 72 1HB LEU 11 1HB LEU 11 -11.912 -2.002 -3.322 73 2HB LEU 11 2HB LEU 11 -13.490 -2.707 -2.896 74 HG LEU 11 HG LEU 11 -13.400 -0.149 -3.280 75 1HD1 LEU 11 1HD1 LEU 11 -14.551 -0.147 -0.684 76 2HD1 LEU 11 2HD1 LEU 11 -15.384 -0.392 -2.238 77 3HD1 LEU 11 3HD1 LEU 11 -14.774 -1.793 -1.325 78 1HD2 LEU 11 1HD2 LEU 11 -12.752 1.067 -1.124 79 2HD2 LEU 11 2HD2 LEU 11 -11.949 -0.440 -0.623 80 3HD2 LEU 11 3HD2 LEU 11 -11.399 0.419 -2.081 81 H TRP 12 H TRP 12 -10.735 -1.002 -2.753 82 HA TRP 12 HA TRP 12 -8.353 -1.142 -3.133 83 1HB TRP 12 1HB TRP 12 -8.474 0.335 -0.522 84 2HB TRP 12 2HB TRP 12 -7.601 0.744 -2.005 85 HD1 TRP 12 HD TRP 12 -10.128 2.177 -0.087 86 HE1 TRP 12 1HE TRP 12 -11.860 3.497 -1.406 87 HE3 TRP 12 3HE TRP 12 -9.209 0.279 -4.750 88 HZ2 TRP 12 2HZ TRP 12 -12.749 3.711 -4.152 89 HZ3 TRP 12 3HZ TRP 12 -10.517 1.064 -6.690 90 HH2 TRP 12 HH TRP 12 -12.286 2.775 -6.409 91 H LYS 13 H LYS 13 -9.411 -2.108 0.136 92 HA LYS 13 HA LYS 13 -6.997 -2.863 1.271 93 1HB LYS 13 1HB LYS 13 -9.417 -2.961 2.194 94 2HB LYS 13 2HB LYS 13 -9.478 -4.586 1.470 95 1HG LYS 13 1HG LYS 13 -7.131 -4.843 2.717 96 2HG LYS 13 2HG LYS 13 -7.809 -3.566 3.754 97 1HD LYS 13 1HD LYS 13 -9.807 -5.611 3.197 98 2HD LYS 13 2HD LYS 13 -8.341 -6.336 3.901 99 1HE LYS 13 1HE LYS 13 -9.493 -5.724 5.826 100 2HE LYS 13 2HE LYS 13 -8.490 -4.281 5.559 101 1HZ LYS 13 1HZ LYS 13 -11.268 -4.595 4.665 102 2HZ LYS 13 2HZ LYS 13 -10.787 -3.755 6.000 103 3HZ LYS 13 3HZ LYS 13 -10.335 -3.245 4.499 104 H LEU 14 H LEU 14 -8.238 -3.933 -1.675 105 HA LEU 14 HA LEU 14 -7.137 -6.647 -1.507 106 1HB LEU 14 1HB LEU 14 -7.821 -6.632 -3.975 107 2HB LEU 14 2HB LEU 14 -9.135 -6.443 -2.790 108 HG LEU 14 HG LEU 14 -9.211 -4.819 -4.749 109 1HD1 LEU 14 1HD1 LEU 14 -10.396 -3.541 -3.319 110 2HD1 LEU 14 2HD1 LEU 14 -9.646 -4.423 -1.967 111 3HD1 LEU 14 3HD1 LEU 14 -8.899 -2.927 -2.577 112 1HD2 LEU 14 1HD2 LEU 14 -6.508 -4.554 -4.215 113 2HD2 LEU 14 2HD2 LEU 14 -7.473 -3.426 -5.198 114 3HD2 LEU 14 3HD2 LEU 14 -7.187 -3.086 -3.474 115 H LEU 15 H LEU 15 -6.377 -3.473 -2.958 116 HA LEU 15 HA LEU 15 -4.153 -4.366 -4.509 117 1HB LEU 15 1HB LEU 15 -3.964 -2.164 -5.070 118 2HB LEU 15 2HB LEU 15 -5.567 -2.052 -4.305 119 HG LEU 15 HG LEU 15 -4.499 -0.405 -3.096 120 1HD1 LEU 15 1HD1 LEU 15 -4.366 -1.232 -0.975 121 2HD1 LEU 15 2HD1 LEU 15 -4.830 -2.772 -1.737 122 3HD1 LEU 15 3HD1 LEU 15 -3.115 -2.421 -1.415 123 1HD2 LEU 15 1HD2 LEU 15 -1.989 -2.000 -3.686 124 2HD2 LEU 15 2HD2 LEU 15 -2.398 -0.342 -4.188 125 3HD2 LEU 15 3HD2 LEU 15 -1.987 -0.682 -2.489 126 H LYS 16 H LYS 16 -4.631 -4.159 -1.139 127 HA LYS 16 HA LYS 16 -2.170 -3.269 -0.155 128 1HB LYS 16 1HB LYS 16 -3.478 -3.705 1.637 129 2HB LYS 16 2HB LYS 16 -4.408 -4.947 0.766 130 1HG LYS 16 1HG LYS 16 -1.558 -5.487 1.630 131 2HG LYS 16 2HG LYS 16 -2.902 -5.681 2.780 132 1HD LYS 16 1HD LYS 16 -2.521 -7.099 0.114 133 2HD LYS 16 2HD LYS 16 -2.550 -7.827 1.738 134 1HE LYS 16 1HE LYS 16 -4.948 -6.556 1.758 135 2HE LYS 16 2HE LYS 16 -4.800 -6.888 0.019 136 1HZ LYS 16 1HZ LYS 16 -4.756 -9.119 0.392 137 2HZ LYS 16 2HZ LYS 16 -4.296 -8.989 1.971 138 3HZ LYS 16 3HZ LYS 16 -5.842 -8.619 1.529 139 H LYS 17 H LYS 17 -3.128 -6.543 -1.288 140 HA LYS 17 HA LYS 17 -0.755 -7.894 -0.659 141 1HB LYS 17 1HB LYS 17 -2.454 -9.291 -1.384 142 2HB LYS 17 2HB LYS 17 -2.924 -8.208 -2.715 143 1HG LYS 17 1HG LYS 17 -1.748 -9.598 -4.065 144 2HG LYS 17 2HG LYS 17 -0.290 -8.885 -3.334 145 1HD LYS 17 1HD LYS 17 -0.238 -11.355 -3.189 146 2HD LYS 17 2HD LYS 17 -0.328 -10.623 -1.569 147 1HE LYS 17 1HE LYS 17 -3.005 -10.901 -2.383 148 2HE LYS 17 2HE LYS 17 -2.215 -12.402 -2.913 149 1HZ LYS 17 1HZ LYS 17 -1.561 -11.500 -0.270 150 2HZ LYS 17 2HZ LYS 17 -3.116 -12.005 -0.482 151 3HZ LYS 17 3HZ LYS 17 -1.864 -13.022 -0.828 152 H TRP 18 H TRP 18 -1.491 -5.607 -3.252 153 HA TRP 18 HA TRP 18 1.172 -6.134 -4.456 154 1HB TRP 18 1HB TRP 18 -0.037 -4.276 -6.047 155 2HB TRP 18 2HB TRP 18 -0.112 -6.026 -6.294 156 HD1 TRP 18 HD TRP 18 -2.271 -3.138 -6.137 157 HE1 TRP 18 1HE TRP 18 -4.712 -3.743 -5.736 158 HE3 TRP 18 3HE TRP 18 -1.661 -7.984 -4.605 159 HZ2 TRP 18 2HZ TRP 18 -6.227 -6.046 -4.856 160 HZ3 TRP 18 3HZ TRP 18 -3.623 -9.349 -3.994 161 HH2 TRP 18 HH TRP 18 -5.908 -8.398 -4.114 162 H LYS 19 H LYS 19 -0.507 -4.036 -2.322 163 HA LYS 19 HA LYS 19 1.227 -1.728 -2.906 164 1HB LYS 19 1HB LYS 19 -1.341 -1.805 -2.186 165 2HB LYS 19 2HB LYS 19 -0.632 -1.849 -0.554 166 1HG LYS 19 1HG LYS 19 0.773 0.154 -1.200 167 2HG LYS 19 2HG LYS 19 -0.159 0.245 -2.714 168 1HD LYS 19 1HD LYS 19 -2.230 0.143 -1.034 169 2HD LYS 19 2HD LYS 19 -1.033 0.794 0.110 170 1HE LYS 19 1HE LYS 19 -0.744 2.762 -1.100 171 2HE LYS 19 2HE LYS 19 -1.248 2.017 -2.632 172 1HZ LYS 19 1HZ LYS 19 -3.033 3.264 -2.085 173 2HZ LYS 19 2HZ LYS 19 -3.476 1.825 -1.413 174 3HZ LYS 19 3HZ LYS 19 -2.883 3.033 -0.459 175 H MET 20 H MET 20 1.502 -4.618 -1.255 176 HA MET 20 HA MET 20 2.558 -3.917 1.254 177 1HB MET 20 1HB MET 20 2.175 -6.240 -0.212 178 2HB MET 20 2HB MET 20 3.948 -6.135 -0.090 179 1HG MET 20 1HG MET 20 3.087 -7.349 1.829 180 2HG MET 20 2HG MET 20 3.735 -5.787 2.358 181 1HE MET 20 1HE MET 20 0.121 -7.954 2.608 182 2HE MET 20 2HE MET 20 -0.605 -6.744 1.523 183 3HE MET 20 3HE MET 20 0.859 -7.623 1.023 184 H ARG 21 H ARG 21 4.811 -3.869 1.971 185 HA ARG 21 HA ARG 21 6.989 -3.160 1.849 186 1HB ARG 21 1HB ARG 21 6.848 -4.739 -0.275 187 2HB ARG 21 2HB ARG 21 6.950 -3.197 -1.158 188 1HG ARG 21 1HG ARG 21 9.082 -2.717 -0.349 189 2HG ARG 21 2HG ARG 21 8.864 -3.710 1.112 190 1HD ARG 21 1HD ARG 21 9.415 -5.667 0.034 191 2HD ARG 21 2HD ARG 21 8.755 -5.121 -1.523 192 HE ARG 21 HE ARG 21 11.149 -3.685 -0.661 193 1HH1 ARG 21 2HH2 ARG 21 9.830 -6.473 -2.390 194 2HH1 ARG 21 1HH2 ARG 21 11.248 -6.697 -3.389 195 1HH2 ARG 21 2HH1 ARG 21 13.023 -3.982 -1.981 196 2HH2 ARG 21 1HH1 ARG 21 13.069 -5.277 -3.156 197 H ARG 22 H ARG 22 4.316 -1.563 0.840 198 HA ARG 22 HA ARG 22 5.675 0.816 -0.230 199 1HB ARG 22 1HB ARG 22 2.768 0.118 0.324 200 2HB ARG 22 2HB ARG 22 3.307 1.695 -0.303 201 1HG ARG 22 1HG ARG 22 4.058 -0.932 -1.634 202 2HG ARG 22 2HG ARG 22 2.580 -0.036 -2.057 203 1HD ARG 22 1HD ARG 22 3.858 1.158 -3.483 204 2HD ARG 22 2HD ARG 22 4.571 1.924 -2.047 205 HE ARG 22 HE ARG 22 5.900 -0.546 -2.533 206 1HH1 ARG 22 2HH2 ARG 22 5.501 2.689 -3.902 207 2HH1 ARG 22 1HH2 ARG 22 7.077 2.711 -4.662 208 1HH2 ARG 22 2HH1 ARG 22 7.982 -0.517 -3.536 209 2HH2 ARG 22 1HH1 ARG 22 8.491 0.883 -4.452 210 H ASN 23 H ASN 23 6.920 0.753 1.970 211 HA ASN 23 HA ASN 23 5.391 2.473 3.865 212 1HB ASN 23 1HB ASN 23 5.853 0.063 4.624 213 2HB ASN 23 2HB ASN 23 7.568 0.524 4.668 214 1HD2 ASN 23 1HD2 ASN 23 5.883 -0.290 6.924 215 2HD2 ASN 23 2HD2 ASN 23 5.849 1.061 8.037 216 H GLN 24 H GLN 24 8.296 2.137 5.232 217 HA GLN 24 HA GLN 24 9.365 4.528 3.828 218 1HB GLN 24 1HB GLN 24 9.602 3.435 6.640 219 2HB GLN 24 2HB GLN 24 10.768 4.624 6.011 220 1HG GLN 24 1HG GLN 24 8.110 5.479 5.311 221 2HG GLN 24 2HG GLN 24 8.141 5.094 7.045 222 1HE2 GLN 24 1HE2 GLN 24 8.384 7.619 5.024 223 2HE2 GLN 24 2HE2 GLN 24 9.548 8.617 5.868 224 H PHE 25 H PHE 25 11.509 2.859 5.932 225 HA PHE 25 HA PHE 25 13.543 2.529 4.072 226 1HB PHE 25 1HB PHE 25 13.366 0.413 6.127 227 2HB PHE 25 2HB PHE 25 14.663 1.572 5.791 228 HD1 PHE 25 1HD PHE 25 11.175 1.470 7.188 229 HD2 PHE 25 2HD PHE 25 15.080 3.254 7.333 230 HE1 PHE 25 1HE PHE 25 10.491 2.807 9.162 231 HE2 PHE 25 2HE PHE 25 14.396 4.591 9.306 232 HZ PHE 25 HZ PHE 25 12.102 4.368 10.220 233 H TRP 26 H TRP 26 10.907 0.264 4.944 234 HA TRP 26 HA TRP 26 11.728 -2.024 3.624 235 1HB TRP 26 1HB TRP 26 8.956 -0.795 3.705 236 2HB TRP 26 2HB TRP 26 9.315 -2.477 3.290 237 HD1 TRP 26 HD TRP 26 9.758 -4.149 5.221 238 HE1 TRP 26 1HE TRP 26 9.524 -4.068 7.756 239 HE3 TRP 26 3HE TRP 26 9.228 0.906 5.823 240 HZ2 TRP 26 2HZ TRP 26 9.150 -2.060 9.806 241 HZ3 TRP 26 3HZ TRP 26 8.936 1.864 8.078 242 HH2 TRP 26 HH TRP 26 8.894 0.399 10.075 243 H VAL 27 H VAL 27 10.661 1.048 2.266 244 HA VAL 27 HA VAL 27 10.378 -0.067 -0.428 245 HB VAL 27 HB VAL 27 9.649 2.366 0.993 246 1HG1 VAL 27 1HG1 VAL 27 10.113 3.985 -0.741 247 2HG1 VAL 27 2HG1 VAL 27 11.654 3.198 -0.322 248 3HG1 VAL 27 3HG1 VAL 27 10.790 2.729 -1.806 249 1HG2 VAL 27 1HG2 VAL 27 7.772 1.948 -0.190 250 2HG2 VAL 27 2HG2 VAL 27 8.653 2.072 -1.732 251 3HG2 VAL 27 3HG2 VAL 27 8.595 0.520 -0.862 252 H LYS 28 H LYS 28 12.991 0.134 1.347 253 HA LYS 28 HA LYS 28 14.751 0.530 -0.901 254 1HB LYS 28 1HB LYS 28 14.067 2.905 0.031 255 2HB LYS 28 2HB LYS 28 15.225 2.504 1.322 256 1HG LYS 28 1HG LYS 28 16.116 1.956 -1.475 257 2HG LYS 28 2HG LYS 28 15.963 3.669 -1.016 258 1HD LYS 28 1HD LYS 28 17.203 2.482 1.197 259 2HD LYS 28 2HD LYS 28 17.968 1.692 -0.203 260 1HE LYS 28 1HE LYS 28 17.585 4.606 -0.518 261 2HE LYS 28 2HE LYS 28 18.678 4.160 0.810 262 1HZ LYS 28 1HZ LYS 28 20.196 3.517 -0.618 263 2HZ LYS 28 2HZ LYS 28 19.134 2.681 -1.564 264 3HZ LYS 28 3HZ LYS 28 19.333 4.304 -1.783 265 H VAL 29 H VAL 29 14.325 -1.667 0.689 266 HA VAL 29 HA VAL 29 16.391 -1.666 2.787 267 HB VAL 29 HB VAL 29 15.554 -4.118 2.950 268 1HG1 VAL 29 1HG1 VAL 29 14.916 -2.533 4.627 269 2HG1 VAL 29 2HG1 VAL 29 13.851 -1.661 3.498 270 3HG1 VAL 29 3HG1 VAL 29 13.401 -3.285 4.072 271 1HG2 VAL 29 1HG2 VAL 29 13.559 -4.695 1.844 272 2HG2 VAL 29 2HG2 VAL 29 13.153 -2.999 1.489 273 3HG2 VAL 29 3HG2 VAL 29 14.458 -3.809 0.589 274 H GLN 30 H GLN 30 18.028 -1.164 1.009 275 HA GLN 30 HA GLN 30 19.159 -3.740 0.109 276 1HB GLN 30 1HB GLN 30 17.699 -2.480 -1.701 277 2HB GLN 30 2HB GLN 30 19.133 -1.433 -1.824 278 1HG GLN 30 1HG GLN 30 20.293 -3.916 -1.811 279 2HG GLN 30 2HG GLN 30 18.761 -4.263 -2.642 280 1HE2 GLN 30 1HE2 GLN 30 20.242 -4.717 -4.501 281 2HE2 GLN 30 2HE2 GLN 30 20.738 -3.374 -5.508 282 H ARG 31 H ARG 31 20.137 -2.571 2.272 283 HA ARG 31 HA ARG 31 21.810 -0.429 2.267 284 1HB ARG 31 1HB ARG 31 21.496 -2.760 3.799 285 2HB ARG 31 2HB ARG 31 23.217 -2.745 3.347 286 1HG ARG 31 1HG ARG 31 22.326 -0.069 4.062 287 2HG ARG 31 2HG ARG 31 21.973 -1.217 5.376 288 1HD ARG 31 1HD ARG 31 24.240 -1.862 5.579 289 2HD ARG 31 2HD ARG 31 24.664 -1.200 3.986 290 HE ARG 31 HE ARG 31 23.857 1.023 5.344 291 1HH1 ARG 31 2HH2 ARG 31 26.093 -1.611 6.092 292 2HH1 ARG 31 1HH2 ARG 31 27.138 -0.624 7.088 293 1HH2 ARG 31 2HH1 ARG 31 25.237 2.327 6.661 294 2HH2 ARG 31 1HH1 ARG 31 26.650 1.622 7.413 295 H GLY 32 H GLY 32 22.877 -3.725 1.224 296 1HA GLY 32 1HA GLY 32 25.399 -3.252 0.353 297 2HA GLY 32 2HA GLY 32 24.267 -4.283 -0.552 Start of MODEL 11 1 HA PRO 1 HA PRO 1 -16.466 11.679 -7.865 2 1HB PRO 1 1HB PRO 1 -13.948 11.564 -8.898 3 2HB PRO 1 2HB PRO 1 -15.332 12.199 -9.848 4 1HG PRO 1 1HG PRO 1 -13.318 13.797 -8.241 5 2HG PRO 1 2HG PRO 1 -13.787 14.047 -9.954 6 1HD PRO 1 1HD PRO 1 -14.940 15.478 -7.941 7 2HD PRO 1 2HD PRO 1 -15.925 14.888 -9.314 8 HA PRO 2 HA PRO 2 -14.497 11.272 -3.846 9 1HB PRO 2 1HB PRO 2 -15.450 8.781 -3.287 10 2HB PRO 2 2HB PRO 2 -16.514 10.225 -3.277 11 1HG PRO 2 1HG PRO 2 -16.103 8.262 -5.550 12 2HG PRO 2 2HG PRO 2 -17.662 8.794 -4.840 13 1HD PRO 2 1HD PRO 2 -16.646 9.969 -7.079 14 2HD PRO 2 2HD PRO 2 -17.446 10.957 -5.819 15 H LEU 3 H LEU 3 -13.577 8.754 -3.023 16 HA LEU 3 HA LEU 3 -12.196 7.171 -4.827 17 1HB LEU 3 1HB LEU 3 -9.851 8.297 -4.502 18 2HB LEU 3 2HB LEU 3 -10.941 8.904 -5.771 19 HG LEU 3 HG LEU 3 -11.770 10.359 -3.582 20 1HD1 LEU 3 1HD1 LEU 3 -9.079 11.095 -3.136 21 2HD1 LEU 3 2HD1 LEU 3 -10.176 10.295 -1.985 22 3HD1 LEU 3 3HD1 LEU 3 -9.107 9.319 -3.021 23 1HD2 LEU 3 1HD2 LEU 3 -10.939 12.191 -4.770 24 2HD2 LEU 3 2HD2 LEU 3 -9.446 11.341 -5.237 25 3HD2 LEU 3 3HD2 LEU 3 -10.985 10.943 -6.039 26 H SER 4 H SER 4 -12.194 5.502 -3.424 27 HA SER 4 HA SER 4 -11.757 4.263 -1.550 28 1HB SER 4 1HB SER 4 -9.422 5.554 -2.241 29 2HB SER 4 2HB SER 4 -9.609 6.017 -0.533 30 HG SER 4 HG SER 4 -9.215 4.039 0.027 31 H GLN 5 H GLN 5 -13.370 4.371 -0.087 32 HA GLN 5 HA GLN 5 -13.096 6.173 2.164 33 1HB GLN 5 1HB GLN 5 -14.161 7.792 0.788 34 2HB GLN 5 2HB GLN 5 -15.280 6.589 0.102 35 1HG GLN 5 1HG GLN 5 -16.735 6.849 1.807 36 2HG GLN 5 2HG GLN 5 -15.446 6.670 3.017 37 1HE2 GLN 5 1HE2 GLN 5 -15.847 8.345 4.405 38 2HE2 GLN 5 2HE2 GLN 5 -15.897 10.029 3.930 39 H GLU 6 H GLU 6 -16.260 5.123 1.029 40 HA GLU 6 HA GLU 6 -16.171 2.948 3.067 41 1HB GLU 6 1HB GLU 6 -18.342 4.872 2.204 42 2HB GLU 6 2HB GLU 6 -18.732 3.337 3.017 43 1HG GLU 6 1HG GLU 6 -16.711 4.272 4.610 44 2HG GLU 6 2HG GLU 6 -17.462 5.798 4.093 45 H THR 7 H THR 7 -15.179 2.461 0.485 46 HA THR 7 HA THR 7 -16.871 0.269 -0.295 47 HB THR 7 HB THR 7 -17.020 2.856 -1.789 48 HG1 THR 7 1HG THR 7 -18.978 2.366 -1.264 49 1HG2 THR 7 1HG2 THR 7 -16.376 1.960 -3.757 50 2HG2 THR 7 2HG2 THR 7 -16.142 0.364 -3.003 51 3HG2 THR 7 3HG2 THR 7 -17.744 0.827 -3.628 52 H PHE 8 H PHE 8 -15.144 2.026 -2.783 53 HA PHE 8 HA PHE 8 -13.455 -0.027 -3.520 54 1HB PHE 8 1HB PHE 8 -11.910 2.176 -4.021 55 2HB PHE 8 2HB PHE 8 -13.238 1.609 -5.049 56 HD1 PHE 8 1HD PHE 8 -13.533 3.244 -1.708 57 HD2 PHE 8 2HD PHE 8 -14.028 3.643 -5.956 58 HE1 PHE 8 1HE PHE 8 -14.718 5.396 -1.367 59 HE2 PHE 8 2HE PHE 8 -15.213 5.795 -5.616 60 HZ PHE 8 HZ PHE 8 -15.557 6.672 -3.321 61 H SER 9 H SER 9 -13.356 1.838 -0.618 62 HA SER 9 HA SER 9 -10.515 1.518 -0.119 63 1HB SER 9 1HB SER 9 -10.962 2.585 1.942 64 2HB SER 9 2HB SER 9 -12.125 3.314 0.810 65 HG SER 9 HG SER 9 -12.781 2.312 3.015 66 H ASP 10 H ASP 10 -13.520 -0.227 0.646 67 HA ASP 10 HA ASP 10 -12.565 -1.944 2.647 68 1HB ASP 10 1HB ASP 10 -14.317 -3.307 0.770 69 2HB ASP 10 2HB ASP 10 -14.634 -2.785 2.438 70 H LEU 11 H LEU 11 -12.048 -1.946 -0.854 71 HA LEU 11 HA LEU 11 -10.916 -4.627 -0.881 72 1HB LEU 11 1HB LEU 11 -10.099 -3.357 -3.201 73 2HB LEU 11 2HB LEU 11 -11.611 -4.276 -3.003 74 HG LEU 11 HG LEU 11 -12.437 -2.237 -3.771 75 1HD1 LEU 11 1HD1 LEU 11 -13.649 -1.367 -1.994 76 2HD1 LEU 11 2HD1 LEU 11 -13.064 -2.876 -1.254 77 3HD1 LEU 11 3HD1 LEU 11 -12.238 -1.337 -0.908 78 1HD2 LEU 11 1HD2 LEU 11 -11.446 -0.078 -3.322 79 2HD2 LEU 11 2HD2 LEU 11 -10.413 -0.759 -2.042 80 3HD2 LEU 11 3HD2 LEU 11 -10.124 -1.192 -3.745 81 H TRP 12 H TRP 12 -9.119 -2.234 -2.621 82 HA TRP 12 HA TRP 12 -6.699 -2.381 -2.497 83 1HB TRP 12 1HB TRP 12 -7.314 -0.403 -0.330 84 2HB TRP 12 2HB TRP 12 -6.197 -0.269 -1.696 85 HD1 TRP 12 HD TRP 12 -8.914 1.531 -0.617 86 HE1 TRP 12 1HE TRP 12 -10.440 2.434 -2.445 87 HE3 TRP 12 3HE TRP 12 -7.463 -1.523 -4.460 88 HZ2 TRP 12 2HZ TRP 12 -10.976 1.902 -5.239 89 HZ3 TRP 12 3HZ TRP 12 -8.503 -1.295 -6.687 90 HH2 TRP 12 HH TRP 12 -10.256 0.407 -7.092 91 H LYS 13 H LYS 13 -8.405 -2.698 0.622 92 HA LYS 13 HA LYS 13 -6.255 -3.108 2.338 93 1HB LYS 13 1HB LYS 13 -8.582 -2.988 3.086 94 2HB LYS 13 2HB LYS 13 -8.950 -4.523 2.264 95 1HG LYS 13 1HG LYS 13 -7.420 -5.733 3.714 96 2HG LYS 13 2HG LYS 13 -6.847 -4.216 4.447 97 1HD LYS 13 1HD LYS 13 -8.547 -4.246 5.928 98 2HD LYS 13 2HD LYS 13 -9.736 -4.343 4.607 99 1HE LYS 13 1HE LYS 13 -9.963 -6.604 4.802 100 2HE LYS 13 2HE LYS 13 -8.237 -6.849 5.145 101 1HZ LYS 13 1HZ LYS 13 -10.419 -6.390 6.952 102 2HZ LYS 13 2HZ LYS 13 -9.035 -7.263 7.157 103 3HZ LYS 13 3HZ LYS 13 -9.009 -5.623 7.328 104 H LEU 14 H LEU 14 -6.963 -4.839 -0.477 105 HA LEU 14 HA LEU 14 -5.894 -7.399 0.501 106 1HB LEU 14 1HB LEU 14 -6.222 -8.010 -1.961 107 2HB LEU 14 2HB LEU 14 -7.695 -7.593 -1.053 108 HG LEU 14 HG LEU 14 -7.520 -6.497 -3.333 109 1HD1 LEU 14 1HD1 LEU 14 -8.336 -5.453 -0.839 110 2HD1 LEU 14 2HD1 LEU 14 -7.450 -4.131 -1.636 111 3HD1 LEU 14 3HD1 LEU 14 -8.838 -4.890 -2.452 112 1HD2 LEU 14 1HD2 LEU 14 -5.741 -5.198 -3.903 113 2HD2 LEU 14 2HD2 LEU 14 -5.649 -4.457 -2.287 114 3HD2 LEU 14 3HD2 LEU 14 -4.902 -6.046 -2.582 115 H LEU 15 H LEU 15 -4.979 -4.633 -1.568 116 HA LEU 15 HA LEU 15 -2.456 -5.838 -2.351 117 1HB LEU 15 1HB LEU 15 -2.561 -4.211 -3.894 118 2HB LEU 15 2HB LEU 15 -4.074 -3.643 -3.149 119 HG LEU 15 HG LEU 15 -2.475 -2.480 -1.417 120 1HD1 LEU 15 1HD1 LEU 15 -0.346 -3.307 -1.971 121 2HD1 LEU 15 2HD1 LEU 15 -0.662 -3.223 -3.721 122 3HD1 LEU 15 3HD1 LEU 15 -0.370 -1.730 -2.797 123 1HD2 LEU 15 1HD2 LEU 15 -3.863 -1.157 -2.847 124 2HD2 LEU 15 2HD2 LEU 15 -2.211 -0.536 -3.075 125 3HD2 LEU 15 3HD2 LEU 15 -2.933 -1.614 -4.294 126 H LYS 16 H LYS 16 -3.653 -4.341 0.474 127 HA LYS 16 HA LYS 16 -1.675 -2.718 1.450 128 1HB LYS 16 1HB LYS 16 -3.241 -2.957 3.071 129 2HB LYS 16 2HB LYS 16 -3.612 -4.633 2.597 130 1HG LYS 16 1HG LYS 16 -0.979 -3.991 3.934 131 2HG LYS 16 2HG LYS 16 -2.453 -4.172 4.916 132 1HD LYS 16 1HD LYS 16 -1.108 -6.216 3.123 133 2HD LYS 16 2HD LYS 16 -1.534 -6.357 4.846 134 1HE LYS 16 1HE LYS 16 -3.994 -5.951 3.934 135 2HE LYS 16 2HE LYS 16 -3.297 -6.551 2.413 136 1HZ LYS 16 1HZ LYS 16 -3.211 -7.951 4.992 137 2HZ LYS 16 2HZ LYS 16 -4.231 -8.302 3.744 138 3HZ LYS 16 3HZ LYS 16 -2.605 -8.510 3.563 139 H LYS 17 H LYS 17 -1.664 -6.323 1.556 140 HA LYS 17 HA LYS 17 0.791 -6.678 2.833 141 1HB LYS 17 1HB LYS 17 -0.416 -8.637 2.518 142 2HB LYS 17 2HB LYS 17 -0.809 -8.249 0.826 143 1HG LYS 17 1HG LYS 17 0.882 -9.656 0.277 144 2HG LYS 17 2HG LYS 17 1.972 -8.358 0.818 145 1HD LYS 17 1HD LYS 17 1.807 -9.312 3.158 146 2HD LYS 17 2HD LYS 17 0.919 -10.691 2.467 147 1HE LYS 17 1HE LYS 17 3.159 -10.411 0.808 148 2HE LYS 17 2HE LYS 17 3.790 -10.116 2.443 149 1HZ LYS 17 1HZ LYS 17 2.583 -12.504 1.340 150 2HZ LYS 17 2HZ LYS 17 3.895 -12.343 2.326 151 3HZ LYS 17 3HZ LYS 17 2.373 -12.200 2.947 152 H TRP 18 H TRP 18 0.075 -5.615 -0.448 153 HA TRP 18 HA TRP 18 2.989 -5.703 -1.062 154 1HB TRP 18 1HB TRP 18 1.826 -5.178 -3.436 155 2HB TRP 18 2HB TRP 18 2.156 -6.812 -2.844 156 HD1 TRP 18 HD TRP 18 -0.528 -4.768 -4.223 157 HE1 TRP 18 1HE TRP 18 -2.816 -5.849 -3.941 158 HE3 TRP 18 3HE TRP 18 0.700 -8.374 -0.805 159 HZ2 TRP 18 2HZ TRP 18 -3.984 -8.016 -2.418 160 HZ3 TRP 18 3HZ TRP 18 -1.025 -9.925 0.037 161 HH2 TRP 18 HH TRP 18 -3.366 -9.760 -0.757 162 H LYS 19 H LYS 19 0.395 -3.690 -0.161 163 HA LYS 19 HA LYS 19 1.524 -1.322 -1.528 164 1HB LYS 19 1HB LYS 19 -0.748 -1.095 -1.697 165 2HB LYS 19 2HB LYS 19 -1.062 -2.060 -0.235 166 1HG LYS 19 1HG LYS 19 -1.655 0.236 0.259 167 2HG LYS 19 2HG LYS 19 -0.145 -0.131 1.128 168 1HD LYS 19 1HD LYS 19 0.968 0.773 -1.116 169 2HD LYS 19 2HD LYS 19 -0.593 1.611 -1.285 170 1HE LYS 19 1HE LYS 19 0.821 1.698 1.369 171 2HE LYS 19 2HE LYS 19 1.420 2.726 0.049 172 1HZ LYS 19 1HZ LYS 19 -1.381 2.849 0.284 173 2HZ LYS 19 2HZ LYS 19 -0.653 3.258 1.706 174 3HZ LYS 19 3HZ LYS 19 -0.269 4.067 0.321 175 H MET 20 H MET 20 2.060 -3.090 1.259 176 HA MET 20 HA MET 20 2.374 -0.860 3.106 177 1HB MET 20 1HB MET 20 1.788 -3.282 3.698 178 2HB MET 20 2HB MET 20 3.494 -3.668 3.370 179 1HG MET 20 1HG MET 20 4.270 -2.404 5.152 180 2HG MET 20 2HG MET 20 2.850 -1.345 5.160 181 1HE MET 20 1HE MET 20 0.581 -2.450 5.233 182 2HE MET 20 2HE MET 20 0.429 -4.205 5.487 183 3HE MET 20 3HE MET 20 0.118 -3.081 6.831 184 H ARG 21 H ARG 21 4.522 -0.480 4.188 185 HA ARG 21 HA ARG 21 6.726 0.128 4.078 186 1HB ARG 21 1HB ARG 21 6.752 -2.425 3.258 187 2HB ARG 21 2HB ARG 21 7.275 -1.659 1.739 188 1HG ARG 21 1HG ARG 21 9.065 -0.459 2.974 189 2HG ARG 21 2HG ARG 21 8.554 -1.262 4.478 190 1HD ARG 21 1HD ARG 21 8.897 -3.236 2.394 191 2HD ARG 21 2HD ARG 21 10.361 -2.235 2.505 192 HE ARG 21 HE ARG 21 10.773 -3.070 4.649 193 1HH1 ARG 21 2HH2 ARG 21 7.604 -4.078 3.447 194 2HH1 ARG 21 1HH2 ARG 21 7.351 -5.265 4.707 195 1HH2 ARG 21 2HH1 ARG 21 10.438 -4.637 6.314 196 2HH2 ARG 21 1HH1 ARG 21 8.968 -5.583 6.342 197 H ARG 22 H ARG 22 4.442 0.867 1.930 198 HA ARG 22 HA ARG 22 6.163 2.063 -0.135 199 1HB ARG 22 1HB ARG 22 3.249 1.536 0.265 200 2HB ARG 22 2HB ARG 22 3.687 2.950 -0.724 201 1HG ARG 22 1HG ARG 22 3.546 1.116 -2.253 202 2HG ARG 22 2HG ARG 22 5.286 1.383 -1.986 203 1HD ARG 22 1HD ARG 22 3.864 -0.504 -0.140 204 2HD ARG 22 2HD ARG 22 4.173 -1.055 -1.801 205 HE ARG 22 HE ARG 22 6.164 -0.520 0.298 206 1HH1 ARG 22 2HH2 ARG 22 5.474 -1.115 -3.119 207 2HH1 ARG 22 1HH2 ARG 22 7.098 -1.645 -3.495 208 1HH2 ARG 22 2HH1 ARG 22 8.309 -1.220 -0.200 209 2HH2 ARG 22 1HH1 ARG 22 8.714 -1.705 -1.831 210 H ASN 23 H ASN 23 7.168 3.273 1.865 211 HA ASN 23 HA ASN 23 5.580 5.738 2.381 212 1HB ASN 23 1HB ASN 23 6.203 4.585 4.409 213 2HB ASN 23 2HB ASN 23 7.888 4.434 3.866 214 1HD2 ASN 23 1HD2 ASN 23 9.093 5.699 5.185 215 2HD2 ASN 23 2HD2 ASN 23 8.747 7.373 5.564 216 H GLN 24 H GLN 24 8.992 5.717 3.001 217 HA GLN 24 HA GLN 24 9.378 7.501 0.645 218 1HB GLN 24 1HB GLN 24 10.219 7.601 3.492 219 2HB GLN 24 2HB GLN 24 11.473 8.043 2.308 220 1HG GLN 24 1HG GLN 24 9.486 9.442 1.230 221 2HG GLN 24 2HG GLN 24 8.825 9.354 2.877 222 1HE2 GLN 24 1HE2 GLN 24 9.251 11.833 2.285 223 2HE2 GLN 24 2HE2 GLN 24 10.764 12.462 2.903 224 H PHE 25 H PHE 25 11.978 6.239 2.661 225 HA PHE 25 HA PHE 25 13.197 5.034 0.290 226 1HB PHE 25 1HB PHE 25 14.626 6.304 1.725 227 2HB PHE 25 2HB PHE 25 14.061 5.440 3.165 228 HD1 PHE 25 1HD PHE 25 14.432 2.796 3.068 229 HD2 PHE 25 2HD PHE 25 16.665 5.693 0.816 230 HE1 PHE 25 1HE PHE 25 16.293 1.174 2.827 231 HE2 PHE 25 2HE PHE 25 18.526 4.071 0.575 232 HZ PHE 25 HZ PHE 25 18.339 1.812 1.580 233 H TRP 26 H TRP 26 11.090 4.064 2.808 234 HA TRP 26 HA TRP 26 11.973 1.435 3.337 235 1HB TRP 26 1HB TRP 26 9.071 2.214 3.098 236 2HB TRP 26 2HB TRP 26 9.827 1.076 4.222 237 HD1 TRP 26 HD TRP 26 7.951 3.246 5.359 238 HE1 TRP 26 1HE TRP 26 8.779 5.056 6.947 239 HE3 TRP 26 3HE TRP 26 12.925 3.164 4.154 240 HZ2 TRP 26 2HZ TRP 26 11.292 6.324 7.622 241 HZ3 TRP 26 3HZ TRP 26 14.502 4.685 5.289 242 HH2 TRP 26 HH TRP 26 13.704 6.267 7.020 243 H VAL 27 H VAL 27 10.847 2.853 0.428 244 HA VAL 27 HA VAL 27 9.604 0.497 -0.698 245 HB VAL 27 HB VAL 27 10.013 3.259 -1.393 246 1HG1 VAL 27 1HG1 VAL 27 10.654 3.106 -3.703 247 2HG1 VAL 27 2HG1 VAL 27 11.885 2.210 -2.783 248 3HG1 VAL 27 3HG1 VAL 27 10.616 1.327 -3.664 249 1HG2 VAL 27 1HG2 VAL 27 7.832 2.596 -1.643 250 2HG2 VAL 27 2HG2 VAL 27 8.364 2.246 -3.305 251 3HG2 VAL 27 3HG2 VAL 27 8.281 0.936 -2.102 252 H LYS 28 H LYS 28 12.649 0.863 0.352 253 HA LYS 28 HA LYS 28 13.682 -1.020 -1.672 254 1HB LYS 28 1HB LYS 28 14.361 1.712 -1.708 255 2HB LYS 28 2HB LYS 28 15.738 0.898 -0.926 256 1HG LYS 28 1HG LYS 28 14.601 -0.473 -3.317 257 2HG LYS 28 2HG LYS 28 15.433 1.069 -3.629 258 1HD LYS 28 1HD LYS 28 16.864 -0.674 -1.725 259 2HD LYS 28 2HD LYS 28 16.678 -1.393 -3.343 260 1HE LYS 28 1HE LYS 28 17.340 1.342 -3.743 261 2HE LYS 28 2HE LYS 28 18.440 0.738 -2.485 262 1HZ LYS 28 1HZ LYS 28 18.750 0.390 -5.111 263 2HZ LYS 28 2HZ LYS 28 19.472 -0.521 -3.942 264 3HZ LYS 28 3HZ LYS 28 18.088 -1.052 -4.663 265 H VAL 29 H VAL 29 12.892 -2.033 0.587 266 HA VAL 29 HA VAL 29 15.202 -1.989 2.460 267 HB VAL 29 HB VAL 29 12.359 -3.011 2.837 268 1HG1 VAL 29 1HG1 VAL 29 13.333 -2.697 5.322 269 2HG1 VAL 29 2HG1 VAL 29 13.539 -4.216 4.417 270 3HG1 VAL 29 3HG1 VAL 29 14.866 -3.032 4.483 271 1HG2 VAL 29 1HG2 VAL 29 13.623 -0.604 4.170 272 2HG2 VAL 29 2HG2 VAL 29 12.839 -0.454 2.579 273 3HG2 VAL 29 3HG2 VAL 29 11.898 -1.005 3.986 274 H GLN 30 H GLN 30 15.096 -3.384 -0.183 275 HA GLN 30 HA GLN 30 14.677 -6.186 0.313 276 1HB GLN 30 1HB GLN 30 15.964 -4.523 -1.852 277 2HB GLN 30 2HB GLN 30 16.156 -6.293 -1.848 278 1HG GLN 30 1HG GLN 30 13.411 -5.744 -1.301 279 2HG GLN 30 2HG GLN 30 13.882 -4.719 -2.674 280 1HE2 GLN 30 1HE2 GLN 30 15.384 -5.964 -4.323 281 2HE2 GLN 30 2HE2 GLN 30 14.803 -7.549 -4.787 282 H ARG 31 H ARG 31 17.730 -4.375 -0.362 283 HA ARG 31 HA ARG 31 19.163 -6.438 1.224 284 1HB ARG 31 1HB ARG 31 20.030 -4.460 -0.911 285 2HB ARG 31 2HB ARG 31 21.183 -5.396 0.070 286 1HG ARG 31 1HG ARG 31 18.928 -6.658 -1.539 287 2HG ARG 31 2HG ARG 31 20.586 -6.458 -2.156 288 1HD ARG 31 1HD ARG 31 20.687 -7.600 0.493 289 2HD ARG 31 2HD ARG 31 19.564 -8.549 -0.504 290 HE ARG 31 HE ARG 31 22.428 -8.485 -0.724 291 1HH1 ARG 31 2HH2 ARG 31 19.447 -8.657 -2.618 292 2HH1 ARG 31 1HH2 ARG 31 20.181 -9.525 -3.948 293 1HH2 ARG 31 2HH1 ARG 31 23.397 -9.632 -2.480 294 2HH2 ARG 31 1HH1 ARG 31 22.433 -10.080 -3.869 295 H GLY 32 H GLY 32 18.416 -5.466 3.254 296 1HA GLY 32 1HA GLY 32 19.786 -4.331 5.000 297 2HA GLY 32 2HA GLY 32 19.909 -2.956 3.880 Start of MODEL 12 1 HA PRO 1 HA PRO 1 -11.402 12.912 -6.013 2 1HB PRO 1 1HB PRO 1 -10.466 10.552 -7.001 3 2HB PRO 1 2HB PRO 1 -11.503 11.641 -7.978 4 1HG PRO 1 1HG PRO 1 -8.476 11.482 -7.996 5 2HG PRO 1 2HG PRO 1 -9.578 11.399 -9.409 6 1HD PRO 1 1HD PRO 1 -8.393 13.738 -8.666 7 2HD PRO 1 2HD PRO 1 -10.093 13.720 -9.227 8 HA PRO 2 HA PRO 2 -8.562 12.115 -2.727 9 1HB PRO 2 1HB PRO 2 -10.050 10.412 -1.207 10 2HB PRO 2 2HB PRO 2 -10.524 12.125 -1.447 11 1HG PRO 2 1HG PRO 2 -11.510 9.712 -2.994 12 2HG PRO 2 2HG PRO 2 -12.505 10.970 -2.190 13 1HD PRO 2 1HD PRO 2 -11.916 11.107 -4.848 14 2HD PRO 2 2HD PRO 2 -11.913 12.586 -3.840 15 H LEU 3 H LEU 3 -8.275 9.709 -1.341 16 HA LEU 3 HA LEU 3 -7.817 7.580 -3.310 17 1HB LEU 3 1HB LEU 3 -5.534 8.843 -1.741 18 2HB LEU 3 2HB LEU 3 -5.421 7.414 -2.797 19 HG LEU 3 HG LEU 3 -6.414 10.123 -3.764 20 1HD1 LEU 3 1HD1 LEU 3 -3.865 9.693 -2.878 21 2HD1 LEU 3 2HD1 LEU 3 -3.721 9.140 -4.564 22 3HD1 LEU 3 3HD1 LEU 3 -4.275 10.796 -4.215 23 1HD2 LEU 3 1HD2 LEU 3 -6.802 9.026 -5.695 24 2HD2 LEU 3 2HD2 LEU 3 -5.139 8.391 -5.708 25 3HD2 LEU 3 3HD2 LEU 3 -6.425 7.501 -4.857 26 H SER 4 H SER 4 -8.670 5.851 -2.325 27 HA SER 4 HA SER 4 -9.165 4.311 -0.707 28 1HB SER 4 1HB SER 4 -6.494 4.891 -0.387 29 2HB SER 4 2HB SER 4 -7.137 5.224 1.239 30 HG SER 4 HG SER 4 -6.998 3.132 1.414 31 H GLN 5 H GLN 5 -11.081 4.688 0.247 32 HA GLN 5 HA GLN 5 -11.170 6.108 2.761 33 1HB GLN 5 1HB GLN 5 -11.254 7.887 0.833 34 2HB GLN 5 2HB GLN 5 -12.921 7.302 0.614 35 1HG GLN 5 1HG GLN 5 -13.441 7.786 2.949 36 2HG GLN 5 2HG GLN 5 -11.753 8.245 3.263 37 1HE2 GLN 5 1HE2 GLN 5 -11.065 10.309 2.812 38 2HE2 GLN 5 2HE2 GLN 5 -12.078 11.544 2.096 39 H GLU 6 H GLU 6 -13.783 5.941 0.339 40 HA GLU 6 HA GLU 6 -14.945 3.673 1.883 41 1HB GLU 6 1HB GLU 6 -17.146 4.705 1.623 42 2HB GLU 6 2HB GLU 6 -16.043 5.835 2.445 43 1HG GLU 6 1HG GLU 6 -15.539 6.743 0.063 44 2HG GLU 6 2HG GLU 6 -17.014 5.881 -0.425 45 H THR 7 H THR 7 -13.326 3.331 -0.395 46 HA THR 7 HA THR 7 -15.108 1.836 -2.062 47 HB THR 7 HB THR 7 -14.462 4.622 -2.841 48 HG1 THR 7 1HG THR 7 -16.384 4.355 -3.863 49 1HG2 THR 7 1HG2 THR 7 -13.524 2.322 -4.413 50 2HG2 THR 7 2HG2 THR 7 -14.659 3.352 -5.318 51 3HG2 THR 7 3HG2 THR 7 -13.180 4.056 -4.622 52 H PHE 8 H PHE 8 -12.338 3.640 -3.350 53 HA PHE 8 HA PHE 8 -10.953 1.414 -4.275 54 1HB PHE 8 1HB PHE 8 -8.937 3.166 -3.688 55 2HB PHE 8 2HB PHE 8 -9.958 3.241 -5.133 56 HD1 PHE 8 1HD PHE 8 -10.974 4.063 -1.640 57 HD2 PHE 8 2HD PHE 8 -10.003 5.569 -5.543 58 HE1 PHE 8 1HE PHE 8 -11.764 6.315 -0.967 59 HE2 PHE 8 2HE PHE 8 -10.793 7.822 -4.871 60 HZ PHE 8 HZ PHE 8 -11.674 8.195 -2.582 61 H SER 9 H SER 9 -11.375 2.514 -1.015 62 HA SER 9 HA SER 9 -8.974 1.259 0.037 63 1HB SER 9 1HB SER 9 -10.218 3.237 1.048 64 2HB SER 9 2HB SER 9 -11.483 2.084 1.537 65 HG SER 9 HG SER 9 -8.765 2.172 2.314 66 H ASP 10 H ASP 10 -12.270 0.315 -0.723 67 HA ASP 10 HA ASP 10 -12.486 -1.940 0.991 68 1HB ASP 10 1HB ASP 10 -14.149 -0.660 -0.713 69 2HB ASP 10 2HB ASP 10 -13.700 -2.046 -1.730 70 H LEU 11 H LEU 11 -10.691 -1.353 -1.963 71 HA LEU 11 HA LEU 11 -10.277 -4.213 -2.470 72 1HB LEU 11 1HB LEU 11 -8.498 -2.759 -4.046 73 2HB LEU 11 2HB LEU 11 -10.117 -3.315 -4.532 74 HG LEU 11 HG LEU 11 -10.306 -1.030 -4.940 75 1HD1 LEU 11 1HD1 LEU 11 -11.799 -1.994 -2.927 76 2HD1 LEU 11 2HD1 LEU 11 -10.912 -0.749 -2.015 77 3HD1 LEU 11 3HD1 LEU 11 -11.891 -0.288 -3.428 78 1HD2 LEU 11 1HD2 LEU 11 -9.201 0.706 -3.637 79 2HD2 LEU 11 2HD2 LEU 11 -8.709 -0.480 -2.404 80 3HD2 LEU 11 3HD2 LEU 11 -8.006 -0.550 -4.037 81 H TRP 12 H TRP 12 -7.554 -2.136 -2.972 82 HA TRP 12 HA TRP 12 -5.392 -2.963 -2.252 83 1HB TRP 12 1HB TRP 12 -6.227 -1.376 0.144 84 2HB TRP 12 2HB TRP 12 -4.756 -1.262 -0.833 85 HD1 TRP 12 HD TRP 12 -7.236 0.939 0.034 86 HE1 TRP 12 1HE TRP 12 -7.954 2.575 -1.781 87 HE3 TRP 12 3HE TRP 12 -5.405 -1.538 -4.054 88 HZ2 TRP 12 2HZ TRP 12 -7.763 2.792 -4.660 89 HZ3 TRP 12 3HZ TRP 12 -5.692 -0.587 -6.312 90 HH2 TRP 12 HH TRP 12 -6.866 1.571 -6.633 91 H LYS 13 H LYS 13 -8.062 -3.446 0.056 92 HA LYS 13 HA LYS 13 -6.673 -4.786 2.090 93 1HB LYS 13 1HB LYS 13 -8.937 -4.185 2.473 94 2HB LYS 13 2HB LYS 13 -9.493 -5.021 1.003 95 1HG LYS 13 1HG LYS 13 -9.066 -7.180 1.961 96 2HG LYS 13 2HG LYS 13 -8.162 -6.473 3.321 97 1HD LYS 13 1HD LYS 13 -10.394 -5.198 3.823 98 2HD LYS 13 2HD LYS 13 -11.141 -6.442 2.792 99 1HE LYS 13 1HE LYS 13 -11.182 -7.784 4.601 100 2HE LYS 13 2HE LYS 13 -9.411 -7.868 4.482 101 1HZ LYS 13 1HZ LYS 13 -10.692 -5.646 5.860 102 2HZ LYS 13 2HZ LYS 13 -10.477 -7.087 6.631 103 3HZ LYS 13 3HZ LYS 13 -9.174 -6.258 6.054 104 H LEU 14 H LEU 14 -6.492 -5.554 -1.075 105 HA LEU 14 HA LEU 14 -6.541 -8.491 -0.626 106 1HB LEU 14 1HB LEU 14 -6.249 -8.439 -3.204 107 2HB LEU 14 2HB LEU 14 -7.827 -7.966 -2.531 108 HG LEU 14 HG LEU 14 -6.669 -6.439 -4.345 109 1HD1 LEU 14 1HD1 LEU 14 -8.036 -5.640 -1.772 110 2HD1 LEU 14 2HD1 LEU 14 -7.518 -4.389 -2.928 111 3HD1 LEU 14 3HD1 LEU 14 -8.676 -5.642 -3.433 112 1HD2 LEU 14 1HD2 LEU 14 -5.481 -5.055 -1.973 113 2HD2 LEU 14 2HD2 LEU 14 -4.600 -6.467 -2.607 114 3HD2 LEU 14 3HD2 LEU 14 -4.940 -5.079 -3.669 115 H LEU 15 H LEU 15 -4.488 -5.712 -1.351 116 HA LEU 15 HA LEU 15 -2.163 -7.519 -1.720 117 1HB LEU 15 1HB LEU 15 -2.590 -4.554 -2.245 118 2HB LEU 15 2HB LEU 15 -1.026 -5.383 -2.428 119 HG LEU 15 HG LEU 15 -3.376 -5.400 -4.194 120 1HD1 LEU 15 1HD1 LEU 15 -0.674 -5.055 -4.430 121 2HD1 LEU 15 2HD1 LEU 15 -0.832 -6.757 -4.927 122 3HD1 LEU 15 3HD1 LEU 15 -1.739 -5.491 -5.789 123 1HD2 LEU 15 1HD2 LEU 15 -2.037 -8.076 -3.975 124 2HD2 LEU 15 2HD2 LEU 15 -3.309 -7.687 -2.793 125 3HD2 LEU 15 3HD2 LEU 15 -3.676 -7.667 -4.535 126 H LYS 16 H LYS 16 -3.816 -5.774 0.667 127 HA LYS 16 HA LYS 16 -2.223 -4.389 2.266 128 1HB LYS 16 1HB LYS 16 -3.138 -6.555 3.927 129 2HB LYS 16 2HB LYS 16 -3.815 -4.917 3.756 130 1HG LYS 16 1HG LYS 16 -5.533 -6.542 3.159 131 2HG LYS 16 2HG LYS 16 -5.013 -5.691 1.685 132 1HD LYS 16 1HD LYS 16 -4.834 -7.833 0.877 133 2HD LYS 16 2HD LYS 16 -3.242 -7.746 1.668 134 1HE LYS 16 1HE LYS 16 -4.824 -9.778 2.180 135 2HE LYS 16 2HE LYS 16 -3.942 -9.001 3.513 136 1HZ LYS 16 1HZ LYS 16 -6.602 -8.069 2.805 137 2HZ LYS 16 2HZ LYS 16 -6.435 -9.437 3.712 138 3HZ LYS 16 3HZ LYS 16 -5.820 -8.006 4.256 139 H LYS 17 H LYS 17 -2.142 -7.921 2.912 140 HA LYS 17 HA LYS 17 0.231 -8.042 4.266 141 1HB LYS 17 1HB LYS 17 -0.967 -10.048 4.107 142 2HB LYS 17 2HB LYS 17 -1.106 -9.941 2.335 143 1HG LYS 17 1HG LYS 17 0.635 -11.410 2.327 144 2HG LYS 17 2HG LYS 17 1.628 -9.974 2.677 145 1HD LYS 17 1HD LYS 17 0.375 -11.057 5.095 146 2HD LYS 17 2HD LYS 17 1.398 -12.263 4.279 147 1HE LYS 17 1HE LYS 17 3.074 -10.204 4.081 148 2HE LYS 17 2HE LYS 17 2.147 -9.607 5.475 149 1HZ LYS 17 1HZ LYS 17 4.198 -11.256 5.645 150 2HZ LYS 17 2HZ LYS 17 2.999 -11.161 6.773 151 3HZ LYS 17 3HZ LYS 17 2.960 -12.345 5.625 152 H TRP 18 H TRP 18 -0.229 -7.616 0.776 153 HA TRP 18 HA TRP 18 2.727 -7.635 0.435 154 1HB TRP 18 1HB TRP 18 1.694 -7.486 -2.077 155 2HB TRP 18 2HB TRP 18 2.122 -8.991 -1.251 156 HD1 TRP 18 HD TRP 18 -0.653 -7.356 -2.985 157 HE1 TRP 18 1HE TRP 18 -2.851 -8.605 -2.678 158 HE3 TRP 18 3HE TRP 18 0.707 -10.450 0.858 159 HZ2 TRP 18 2HZ TRP 18 -3.903 -10.695 -0.974 160 HZ3 TRP 18 3HZ TRP 18 -0.917 -12.053 1.796 161 HH2 TRP 18 HH TRP 18 -3.221 -12.188 0.894 162 H LYS 19 H LYS 19 0.001 -5.609 0.777 163 HA LYS 19 HA LYS 19 1.285 -3.415 -0.755 164 1HB LYS 19 1HB LYS 19 -1.047 -3.764 -1.286 165 2HB LYS 19 2HB LYS 19 -1.490 -3.764 0.438 166 1HG LYS 19 1HG LYS 19 0.015 -1.374 -0.509 167 2HG LYS 19 2HG LYS 19 -1.633 -1.554 -1.157 168 1HD LYS 19 1HD LYS 19 -2.597 -1.585 1.029 169 2HD LYS 19 2HD LYS 19 -1.014 -1.831 1.805 170 1HE LYS 19 1HE LYS 19 -1.091 0.425 2.116 171 2HE LYS 19 2HE LYS 19 -0.545 0.479 0.426 172 1HZ LYS 19 1HZ LYS 19 -3.238 0.848 1.482 173 2HZ LYS 19 2HZ LYS 19 -2.367 1.838 0.492 174 3HZ LYS 19 3HZ LYS 19 -2.997 0.431 -0.095 175 H MET 20 H MET 20 1.433 -4.745 2.267 176 HA MET 20 HA MET 20 1.206 -2.333 3.866 177 1HB MET 20 1HB MET 20 1.665 -5.201 4.262 178 2HB MET 20 2HB MET 20 2.698 -4.196 5.306 179 1HG MET 20 1HG MET 20 0.519 -4.703 6.366 180 2HG MET 20 2HG MET 20 0.758 -2.966 6.113 181 1HE MET 20 1HE MET 20 -2.209 -1.761 4.841 182 2HE MET 20 2HE MET 20 -0.525 -1.564 5.383 183 3HE MET 20 3HE MET 20 -0.892 -1.687 3.646 184 H ARG 21 H ARG 21 3.056 -1.483 5.146 185 HA ARG 21 HA ARG 21 5.122 -0.505 5.242 186 1HB ARG 21 1HB ARG 21 5.616 -3.144 5.045 187 2HB ARG 21 2HB ARG 21 6.375 -2.608 3.526 188 1HG ARG 21 1HG ARG 21 7.673 -0.906 4.802 189 2HG ARG 21 2HG ARG 21 6.950 -1.510 6.312 190 1HD ARG 21 1HD ARG 21 8.322 -3.437 4.442 191 2HD ARG 21 2HD ARG 21 9.302 -2.412 5.512 192 HE ARG 21 HE ARG 21 8.514 -3.593 7.371 193 1HH1 ARG 21 2HH2 ARG 21 6.812 -4.522 4.414 194 2HH1 ARG 21 1HH2 ARG 21 6.058 -5.930 5.128 195 1HH2 ARG 21 2HH1 ARG 21 7.516 -5.453 8.314 196 2HH2 ARG 21 1HH1 ARG 21 6.459 -6.460 7.351 197 H ARG 22 H ARG 22 3.246 -0.534 2.659 198 HA ARG 22 HA ARG 22 5.206 0.436 0.683 199 1HB ARG 22 1HB ARG 22 2.182 0.104 0.553 200 2HB ARG 22 2HB ARG 22 3.244 0.532 -0.811 201 1HG ARG 22 1HG ARG 22 4.057 -1.885 0.719 202 2HG ARG 22 2HG ARG 22 2.527 -2.034 -0.178 203 1HD ARG 22 1HD ARG 22 4.272 -2.705 -1.685 204 2HD ARG 22 2HD ARG 22 3.748 -1.087 -2.199 205 HE ARG 22 HE ARG 22 6.013 -1.130 -0.337 206 1HH1 ARG 22 2HH2 ARG 22 4.904 -1.120 -3.694 207 2HH1 ARG 22 1HH2 ARG 22 6.405 -0.487 -4.332 208 1HH2 ARG 22 2HH1 ARG 22 7.995 -0.293 -1.179 209 2HH2 ARG 22 1HH1 ARG 22 8.168 -0.015 -2.897 210 H ASN 23 H ASN 23 5.670 2.182 2.453 211 HA ASN 23 HA ASN 23 3.762 4.438 2.062 212 1HB ASN 23 1HB ASN 23 3.995 3.738 4.398 213 2HB ASN 23 2HB ASN 23 5.761 3.890 4.287 214 1HD2 ASN 23 1HD2 ASN 23 2.805 5.501 4.965 215 2HD2 ASN 23 2HD2 ASN 23 3.433 7.131 5.081 216 H GLN 24 H GLN 24 6.957 4.895 3.401 217 HA GLN 24 HA GLN 24 8.030 5.792 0.800 218 1HB GLN 24 1HB GLN 24 7.440 7.544 3.191 219 2HB GLN 24 2HB GLN 24 8.769 7.941 2.076 220 1HG GLN 24 1HG GLN 24 7.069 7.689 0.180 221 2HG GLN 24 2HG GLN 24 5.813 7.651 1.436 222 1HE2 GLN 24 1HE2 GLN 24 7.530 9.640 -0.661 223 2HE2 GLN 24 2HE2 GLN 24 7.268 11.178 0.132 224 H PHE 25 H PHE 25 9.544 7.157 3.537 225 HA PHE 25 HA PHE 25 12.020 6.139 3.269 226 1HB PHE 25 1HB PHE 25 11.368 5.988 6.077 227 2HB PHE 25 2HB PHE 25 12.335 7.194 5.211 228 HD1 PHE 25 1HD PHE 25 8.679 6.301 5.234 229 HD2 PHE 25 2HD PHE 25 11.669 9.343 5.736 230 HE1 PHE 25 1HE PHE 25 6.899 7.989 5.598 231 HE2 PHE 25 2HE PHE 25 9.890 11.032 6.101 232 HZ PHE 25 HZ PHE 25 7.505 10.355 6.032 233 H TRP 26 H TRP 26 9.215 4.380 4.543 234 HA TRP 26 HA TRP 26 10.956 1.990 4.896 235 1HB TRP 26 1HB TRP 26 9.123 1.127 6.294 236 2HB TRP 26 2HB TRP 26 9.781 2.649 6.910 237 HD1 TRP 26 HD TRP 26 6.643 1.104 5.451 238 HE1 TRP 26 1HE TRP 26 4.662 2.679 5.739 239 HE3 TRP 26 3HE TRP 26 9.146 5.251 7.103 240 HZ2 TRP 26 2HZ TRP 26 4.208 5.410 6.583 241 HZ3 TRP 26 3HZ TRP 26 7.907 7.318 7.638 242 HH2 TRP 26 HH TRP 26 5.445 7.414 7.383 243 H VAL 27 H VAL 27 10.751 2.176 2.369 244 HA VAL 27 HA VAL 27 8.418 0.491 1.601 245 HB VAL 27 HB VAL 27 8.505 1.671 -0.619 246 1HG1 VAL 27 1HG1 VAL 27 6.767 2.358 0.854 247 2HG1 VAL 27 2HG1 VAL 27 7.907 3.180 1.947 248 3HG1 VAL 27 3HG1 VAL 27 7.552 3.872 0.346 249 1HG2 VAL 27 1HG2 VAL 27 10.412 2.851 -0.978 250 2HG2 VAL 27 2HG2 VAL 27 9.652 4.116 0.018 251 3HG2 VAL 27 3HG2 VAL 27 10.777 2.953 0.761 252 H LYS 28 H LYS 28 10.001 0.991 -1.167 253 HA LYS 28 HA LYS 28 11.449 -1.540 -0.949 254 1HB LYS 28 1HB LYS 28 11.527 -1.480 -3.300 255 2HB LYS 28 2HB LYS 28 9.982 -0.683 -2.920 256 1HG LYS 28 1HG LYS 28 11.798 1.417 -2.822 257 2HG LYS 28 2HG LYS 28 12.419 0.422 -4.161 258 1HD LYS 28 1HD LYS 28 9.481 1.155 -3.921 259 2HD LYS 28 2HD LYS 28 10.652 2.200 -4.761 260 1HE LYS 28 1HE LYS 28 11.117 -0.453 -5.677 261 2HE LYS 28 2HE LYS 28 9.357 -0.208 -5.704 262 1HZ LYS 28 1HZ LYS 28 9.877 0.693 -7.656 263 2HZ LYS 28 2HZ LYS 28 10.156 2.041 -6.748 264 3HZ LYS 28 3HZ LYS 28 11.419 1.096 -7.230 265 H VAL 29 H VAL 29 12.517 0.486 0.736 266 HA VAL 29 HA VAL 29 14.795 1.706 -0.593 267 HB VAL 29 HB VAL 29 15.424 2.233 1.822 268 1HG1 VAL 29 1HG1 VAL 29 14.317 4.084 1.133 269 2HG1 VAL 29 2HG1 VAL 29 13.129 3.121 0.221 270 3HG1 VAL 29 3HG1 VAL 29 12.891 3.412 1.961 271 1HG2 VAL 29 1HG2 VAL 29 14.159 1.466 3.577 272 2HG2 VAL 29 2HG2 VAL 29 12.654 1.463 2.626 273 3HG2 VAL 29 3HG2 VAL 29 13.821 0.131 2.449 274 H GLN 30 H GLN 30 15.424 -0.496 -1.535 275 HA GLN 30 HA GLN 30 17.741 -1.432 -0.173 276 1HB GLN 30 1HB GLN 30 15.945 -2.496 1.248 277 2HB GLN 30 2HB GLN 30 15.424 -3.401 -0.194 278 1HG GLN 30 1HG GLN 30 17.716 -4.339 -0.409 279 2HG GLN 30 2HG GLN 30 18.199 -3.467 1.063 280 1HE2 GLN 30 1HE2 GLN 30 18.533 -6.184 1.030 281 2HE2 GLN 30 2HE2 GLN 30 17.346 -6.960 2.057 282 H ARG 31 H ARG 31 18.912 -3.003 -1.443 283 HA ARG 31 HA ARG 31 18.701 -2.632 -4.214 284 1HB ARG 31 1HB ARG 31 20.297 -4.169 -2.348 285 2HB ARG 31 2HB ARG 31 19.913 -5.154 -3.780 286 1HG ARG 31 1HG ARG 31 20.662 -2.338 -4.357 287 2HG ARG 31 2HG ARG 31 21.964 -3.337 -3.669 288 1HD ARG 31 1HD ARG 31 20.239 -4.296 -5.974 289 2HD ARG 31 2HD ARG 31 21.715 -3.341 -6.236 290 HE ARG 31 HE ARG 31 22.155 -5.625 -4.502 291 1HH1 ARG 31 2HH2 ARG 31 21.861 -4.535 -7.853 292 2HH1 ARG 31 1HH2 ARG 31 22.831 -5.836 -8.505 293 1HH2 ARG 31 2HH1 ARG 31 23.436 -7.344 -5.364 294 2HH2 ARG 31 1HH1 ARG 31 23.729 -7.438 -7.086 295 H GLY 32 H GLY 32 16.773 -3.031 -5.224 296 1HA GLY 32 1HA GLY 32 15.327 -5.526 -4.652 297 2HA GLY 32 2HA GLY 32 14.802 -4.199 -5.713 Start of MODEL 13 1 HA PRO 1 HA PRO 1 -10.600 3.761 -10.189 2 1HB PRO 1 1HB PRO 1 -13.093 4.653 -9.547 3 2HB PRO 1 2HB PRO 1 -12.790 3.666 -11.014 4 1HG PRO 1 1HG PRO 1 -13.737 2.689 -8.305 5 2HG PRO 1 2HG PRO 1 -14.489 2.366 -9.902 6 1HD PRO 1 1HD PRO 1 -12.764 0.592 -8.758 7 2HD PRO 1 2HD PRO 1 -12.706 0.906 -10.519 8 HA PRO 2 HA PRO 2 -9.805 5.529 -6.236 9 1HB PRO 2 1HB PRO 2 -10.497 8.152 -6.493 10 2HB PRO 2 2HB PRO 2 -9.175 7.423 -7.463 11 1HG PRO 2 1HG PRO 2 -12.066 7.809 -8.292 12 2HG PRO 2 2HG PRO 2 -10.599 8.322 -9.188 13 1HD PRO 2 1HD PRO 2 -11.859 5.972 -9.750 14 2HD PRO 2 2HD PRO 2 -10.072 6.065 -9.748 15 H LEU 3 H LEU 3 -11.010 4.781 -4.557 16 HA LEU 3 HA LEU 3 -13.177 6.242 -3.515 17 1HB LEU 3 1HB LEU 3 -14.023 4.808 -5.721 18 2HB LEU 3 2HB LEU 3 -14.396 3.701 -4.378 19 HG LEU 3 HG LEU 3 -16.324 5.020 -4.433 20 1HD1 LEU 3 1HD1 LEU 3 -16.313 6.187 -2.418 21 2HD1 LEU 3 2HD1 LEU 3 -14.834 5.212 -2.242 22 3HD1 LEU 3 3HD1 LEU 3 -14.721 6.920 -2.731 23 1HD2 LEU 3 1HD2 LEU 3 -15.642 6.554 -6.190 24 2HD2 LEU 3 2HD2 LEU 3 -16.221 7.515 -4.808 25 3HD2 LEU 3 3HD2 LEU 3 -14.474 7.346 -5.104 26 H SER 4 H SER 4 -13.362 5.701 -1.400 27 HA SER 4 HA SER 4 -12.934 2.965 -0.506 28 1HB SER 4 1HB SER 4 -10.704 3.183 -0.224 29 2HB SER 4 2HB SER 4 -10.760 4.943 -0.485 30 HG SER 4 HG SER 4 -10.261 3.910 1.735 31 H GLN 5 H GLN 5 -14.586 2.755 0.879 32 HA GLN 5 HA GLN 5 -14.868 4.741 3.032 33 1HB GLN 5 1HB GLN 5 -17.100 4.033 1.089 34 2HB GLN 5 2HB GLN 5 -17.325 4.918 2.617 35 1HG GLN 5 1HG GLN 5 -15.439 6.485 1.674 36 2HG GLN 5 2HG GLN 5 -15.882 5.777 0.105 37 1HE2 GLN 5 1HE2 GLN 5 -17.670 6.520 -0.956 38 2HE2 GLN 5 2HE2 GLN 5 -18.812 7.666 -0.288 39 H GLU 6 H GLU 6 -17.530 2.646 2.209 40 HA GLU 6 HA GLU 6 -16.676 0.806 4.394 41 1HB GLU 6 1HB GLU 6 -19.162 0.416 4.654 42 2HB GLU 6 2HB GLU 6 -18.619 2.061 5.066 43 1HG GLU 6 1HG GLU 6 -19.417 2.952 3.004 44 2HG GLU 6 2HG GLU 6 -19.615 1.335 2.293 45 H THR 7 H THR 7 -15.726 0.404 1.772 46 HA THR 7 HA THR 7 -16.754 -2.256 1.292 47 HB THR 7 HB THR 7 -17.655 0.043 -0.374 48 HG1 THR 7 1HG THR 7 -19.428 -1.186 -0.421 49 1HG2 THR 7 1HG2 THR 7 -16.084 -2.167 -1.464 50 2HG2 THR 7 2HG2 THR 7 -17.740 -2.165 -2.116 51 3HG2 THR 7 3HG2 THR 7 -16.717 -0.719 -2.283 52 H PHE 8 H PHE 8 -15.561 -0.254 -1.347 53 HA PHE 8 HA PHE 8 -13.379 -1.892 -1.941 54 1HB PHE 8 1HB PHE 8 -12.550 0.560 -2.813 55 2HB PHE 8 2HB PHE 8 -13.683 -0.492 -3.679 56 HD1 PHE 8 1HD PHE 8 -14.342 1.464 -0.568 57 HD2 PHE 8 2HD PHE 8 -15.057 1.073 -4.786 58 HE1 PHE 8 1HE PHE 8 -16.082 3.226 -0.436 59 HE2 PHE 8 2HE PHE 8 -16.798 2.835 -4.654 60 HZ PHE 8 HZ PHE 8 -17.310 3.911 -2.479 61 H SER 9 H SER 9 -13.800 0.322 0.676 62 HA SER 9 HA SER 9 -10.988 0.910 1.069 63 1HB SER 9 1HB SER 9 -11.890 2.461 2.414 64 2HB SER 9 2HB SER 9 -13.504 1.776 2.105 65 HG SER 9 HG SER 9 -13.449 0.812 3.969 66 H ASP 10 H ASP 10 -13.259 -1.615 2.016 67 HA ASP 10 HA ASP 10 -11.848 -2.658 4.241 68 1HB ASP 10 1HB ASP 10 -14.212 -3.194 3.071 69 2HB ASP 10 2HB ASP 10 -13.254 -4.517 2.371 70 H LEU 11 H LEU 11 -11.267 -2.806 0.782 71 HA LEU 11 HA LEU 11 -9.393 -5.048 1.030 72 1HB LEU 11 1HB LEU 11 -9.055 -3.912 -1.480 73 2HB LEU 11 2HB LEU 11 -10.166 -5.244 -1.083 74 HG LEU 11 HG LEU 11 -11.629 -3.715 -2.069 75 1HD1 LEU 11 1HD1 LEU 11 -11.783 -2.421 0.631 76 2HD1 LEU 11 2HD1 LEU 11 -13.074 -3.139 -0.363 77 3HD1 LEU 11 3HD1 LEU 11 -11.970 -4.189 0.557 78 1HD2 LEU 11 1HD2 LEU 11 -11.441 -1.299 -1.882 79 2HD2 LEU 11 2HD2 LEU 11 -10.194 -1.451 -0.621 80 3HD2 LEU 11 3HD2 LEU 11 -9.837 -1.953 -2.291 81 H TRP 12 H TRP 12 -8.497 -2.454 -1.094 82 HA TRP 12 HA TRP 12 -6.152 -1.813 -1.093 83 1HB TRP 12 1HB TRP 12 -7.328 0.147 0.842 84 2HB TRP 12 2HB TRP 12 -6.354 0.436 -0.606 85 HD1 TRP 12 HD TRP 12 -9.490 1.387 0.445 86 HE1 TRP 12 1HE TRP 12 -11.273 1.500 -1.370 87 HE3 TRP 12 3HE TRP 12 -7.203 -1.496 -3.112 88 HZ2 TRP 12 2HZ TRP 12 -11.669 0.467 -4.044 89 HZ3 TRP 12 3HZ TRP 12 -8.312 -1.908 -5.277 90 HH2 TRP 12 HH TRP 12 -10.539 -0.937 -5.758 91 H LYS 13 H LYS 13 -7.622 -2.235 2.131 92 HA LYS 13 HA LYS 13 -5.430 -1.701 3.759 93 1HB LYS 13 1HB LYS 13 -7.820 -2.353 4.401 94 2HB LYS 13 2HB LYS 13 -7.316 -4.044 4.164 95 1HG LYS 13 1HG LYS 13 -5.261 -3.181 5.704 96 2HG LYS 13 2HG LYS 13 -6.542 -2.097 6.295 97 1HD LYS 13 1HD LYS 13 -7.825 -4.562 6.135 98 2HD LYS 13 2HD LYS 13 -6.193 -4.991 6.701 99 1HE LYS 13 1HE LYS 13 -6.378 -3.280 8.489 100 2HE LYS 13 2HE LYS 13 -8.020 -2.888 7.934 101 1HZ LYS 13 1HZ LYS 13 -7.055 -5.284 9.264 102 2HZ LYS 13 2HZ LYS 13 -8.390 -4.371 9.585 103 3HZ LYS 13 3HZ LYS 13 -8.376 -5.381 8.282 104 H LEU 14 H LEU 14 -5.547 -3.894 1.210 105 HA LEU 14 HA LEU 14 -3.729 -5.855 2.439 106 1HB LEU 14 1HB LEU 14 -3.843 -6.828 0.074 107 2HB LEU 14 2HB LEU 14 -5.369 -6.797 0.989 108 HG LEU 14 HG LEU 14 -5.541 -5.979 -1.415 109 1HD1 LEU 14 1HD1 LEU 14 -7.338 -4.846 -0.657 110 2HD1 LEU 14 2HD1 LEU 14 -6.669 -4.978 0.987 111 3HD1 LEU 14 3HD1 LEU 14 -6.300 -3.552 -0.013 112 1HD2 LEU 14 1HD2 LEU 14 -4.455 -3.337 -0.616 113 2HD2 LEU 14 2HD2 LEU 14 -3.232 -4.615 -0.812 114 3HD2 LEU 14 3HD2 LEU 14 -4.317 -4.207 -2.163 115 H LEU 15 H LEU 15 -3.722 -3.140 0.140 116 HA LEU 15 HA LEU 15 -0.857 -3.580 -0.421 117 1HB LEU 15 1HB LEU 15 -3.018 -1.782 -1.546 118 2HB LEU 15 2HB LEU 15 -1.297 -1.513 -1.912 119 HG LEU 15 HG LEU 15 -3.011 -3.934 -2.553 120 1HD1 LEU 15 1HD1 LEU 15 -1.027 -2.502 -4.333 121 2HD1 LEU 15 2HD1 LEU 15 -2.465 -3.447 -4.790 122 3HD1 LEU 15 3HD1 LEU 15 -2.655 -1.829 -4.074 123 1HD2 LEU 15 1HD2 LEU 15 -1.022 -4.887 -1.598 124 2HD2 LEU 15 2HD2 LEU 15 -0.808 -4.943 -3.364 125 3HD2 LEU 15 3HD2 LEU 15 0.018 -3.690 -2.407 126 H LYS 16 H LYS 16 -2.935 -1.829 1.702 127 HA LYS 16 HA LYS 16 -1.892 0.604 2.181 128 1HB LYS 16 1HB LYS 16 -3.127 0.331 4.033 129 2HB LYS 16 2HB LYS 16 -3.177 -1.424 3.740 130 1HG LYS 16 1HG LYS 16 -0.814 -0.039 5.062 131 2HG LYS 16 2HG LYS 16 -2.185 -0.700 5.985 132 1HD LYS 16 1HD LYS 16 -0.805 -2.433 3.937 133 2HD LYS 16 2HD LYS 16 -0.052 -2.197 5.532 134 1HE LYS 16 1HE LYS 16 -2.960 -2.779 5.595 135 2HE LYS 16 2HE LYS 16 -1.950 -4.102 4.974 136 1HZ LYS 16 1HZ LYS 16 -1.073 -2.766 7.377 137 2HZ LYS 16 2HZ LYS 16 -2.387 -3.755 7.503 138 3HZ LYS 16 3HZ LYS 16 -0.955 -4.352 6.943 139 H LYS 17 H LYS 17 -0.114 -2.385 2.293 140 HA LYS 17 HA LYS 17 2.117 -1.173 3.785 141 1HB LYS 17 1HB LYS 17 3.044 -3.365 3.816 142 2HB LYS 17 2HB LYS 17 1.294 -3.588 4.058 143 1HG LYS 17 1HG LYS 17 0.972 -4.211 1.753 144 2HG LYS 17 2HG LYS 17 2.631 -3.724 1.327 145 1HD LYS 17 1HD LYS 17 2.864 -6.041 1.545 146 2HD LYS 17 2HD LYS 17 3.312 -5.482 3.175 147 1HE LYS 17 1HE LYS 17 0.409 -5.895 2.792 148 2HE LYS 17 2HE LYS 17 1.378 -7.375 2.622 149 1HZ LYS 17 1HZ LYS 17 0.917 -7.229 4.845 150 2HZ LYS 17 2HZ LYS 17 2.444 -6.612 4.757 151 3HZ LYS 17 3HZ LYS 17 1.154 -5.599 4.925 152 H TRP 18 H TRP 18 0.965 -1.364 0.580 153 HA TRP 18 HA TRP 18 3.472 -1.594 -0.802 154 1HB TRP 18 1HB TRP 18 2.172 -0.705 -2.715 155 2HB TRP 18 2HB TRP 18 1.395 -2.080 -1.918 156 HD1 TRP 18 HD TRP 18 -0.605 -0.706 -3.512 157 HE1 TRP 18 1HE TRP 18 -2.434 0.832 -2.632 158 HE3 TRP 18 3HE TRP 18 1.526 0.611 0.952 159 HZ2 TRP 18 2HZ TRP 18 -2.923 2.445 -0.279 160 HZ3 TRP 18 3HZ TRP 18 0.351 2.148 2.483 161 HH2 TRP 18 HH TRP 18 -1.868 3.072 1.885 162 H LYS 19 H LYS 19 1.433 1.178 0.240 163 HA LYS 19 HA LYS 19 3.271 3.139 -0.820 164 1HB LYS 19 1HB LYS 19 0.680 3.238 -0.186 165 2HB LYS 19 2HB LYS 19 1.335 3.777 1.379 166 1HG LYS 19 1HG LYS 19 1.284 5.828 0.344 167 2HG LYS 19 2HG LYS 19 2.857 5.282 -0.286 168 1HD LYS 19 1HD LYS 19 1.956 4.693 -2.380 169 2HD LYS 19 2HD LYS 19 0.296 4.595 -1.744 170 1HE LYS 19 1HE LYS 19 1.558 7.246 -1.408 171 2HE LYS 19 2HE LYS 19 1.356 6.756 -3.104 172 1HZ LYS 19 1HZ LYS 19 -0.805 7.008 -2.948 173 2HZ LYS 19 2HZ LYS 19 -0.920 6.219 -1.505 174 3HZ LYS 19 3HZ LYS 19 -0.540 7.823 -1.540 175 H MET 20 H MET 20 3.537 0.987 1.717 176 HA MET 20 HA MET 20 4.949 2.875 3.501 177 1HB MET 20 1HB MET 20 4.208 -0.064 3.772 178 2HB MET 20 2HB MET 20 5.061 0.888 5.011 179 1HG MET 20 1HG MET 20 2.454 1.864 3.848 180 2HG MET 20 2HG MET 20 2.454 0.642 5.131 181 1HE MET 20 1HE MET 20 2.098 4.019 4.185 182 2HE MET 20 2HE MET 20 2.669 5.083 5.493 183 3HE MET 20 3HE MET 20 3.827 4.421 4.315 184 H ARG 21 H ARG 21 7.114 2.282 4.306 185 HA ARG 21 HA ARG 21 9.308 1.727 3.967 186 1HB ARG 21 1HB ARG 21 8.003 -0.590 3.608 187 2HB ARG 21 2HB ARG 21 8.632 -0.384 1.955 188 1HG ARG 21 1HG ARG 21 10.779 -0.766 2.601 189 2HG ARG 21 2HG ARG 21 10.604 0.208 4.080 190 1HD ARG 21 1HD ARG 21 9.025 -1.861 4.764 191 2HD ARG 21 2HD ARG 21 10.100 -2.710 3.634 192 HE ARG 21 HE ARG 21 11.751 -1.205 5.335 193 1HH1 ARG 21 2HH2 ARG 21 9.398 -3.835 5.559 194 2HH1 ARG 21 1HH2 ARG 21 10.152 -4.574 6.954 195 1HH2 ARG 21 2HH1 ARG 21 12.747 -2.181 7.178 196 2HH2 ARG 21 1HH1 ARG 21 12.061 -3.631 7.877 197 H ARG 22 H ARG 22 7.416 3.243 1.868 198 HA ARG 22 HA ARG 22 9.241 3.166 -0.451 199 1HB ARG 22 1HB ARG 22 6.704 4.792 -0.051 200 2HB ARG 22 2HB ARG 22 7.532 4.426 -1.584 201 1HG ARG 22 1HG ARG 22 6.252 2.378 0.278 202 2HG ARG 22 2HG ARG 22 5.563 2.957 -1.258 203 1HD ARG 22 1HD ARG 22 6.779 1.442 -2.388 204 2HD ARG 22 2HD ARG 22 8.275 2.150 -1.740 205 HE ARG 22 HE ARG 22 7.396 0.602 0.336 206 1HH1 ARG 22 2HH2 ARG 22 7.914 0.023 -3.113 207 2HH1 ARG 22 1HH2 ARG 22 8.317 -1.668 -2.908 208 1HH2 ARG 22 2HH1 ARG 22 7.928 -1.630 0.606 209 2HH2 ARG 22 1HH1 ARG 22 8.324 -2.610 -0.788 210 H ASN 23 H ASN 23 10.915 4.049 1.208 211 HA ASN 23 HA ASN 23 10.605 6.936 1.699 212 1HB ASN 23 1HB ASN 23 11.531 5.766 3.534 213 2HB ASN 23 2HB ASN 23 12.613 4.816 2.493 214 1HD2 ASN 23 1HD2 ASN 23 11.882 8.238 3.380 215 2HD2 ASN 23 2HD2 ASN 23 13.547 8.777 3.361 216 H GLN 24 H GLN 24 13.726 5.499 0.952 217 HA GLN 24 HA GLN 24 13.757 6.553 -1.776 218 1HB GLN 24 1HB GLN 24 14.417 8.297 0.291 219 2HB GLN 24 2HB GLN 24 15.995 7.672 -0.244 220 1HG GLN 24 1HG GLN 24 14.225 8.262 -2.501 221 2HG GLN 24 2HG GLN 24 14.495 9.691 -1.480 222 1HE2 GLN 24 1HE2 GLN 24 15.512 10.103 -3.833 223 2HE2 GLN 24 2HE2 GLN 24 17.238 9.822 -3.912 224 H PHE 25 H PHE 25 15.567 5.240 1.027 225 HA PHE 25 HA PHE 25 17.364 3.832 -0.869 226 1HB PHE 25 1HB PHE 25 18.606 4.998 0.758 227 2HB PHE 25 2HB PHE 25 17.494 4.546 2.062 228 HD1 PHE 25 1HD PHE 25 17.265 1.863 2.354 229 HD2 PHE 25 2HD PHE 25 20.655 3.935 0.721 230 HE1 PHE 25 1HE PHE 25 18.718 -0.063 2.929 231 HE2 PHE 25 2HE PHE 25 22.108 2.009 1.296 232 HZ PHE 25 HZ PHE 25 21.140 0.011 2.400 233 H TRP 26 H TRP 26 14.990 3.354 1.751 234 HA TRP 26 HA TRP 26 15.239 0.420 1.404 235 1HB TRP 26 1HB TRP 26 13.663 0.436 3.399 236 2HB TRP 26 2HB TRP 26 15.304 1.035 3.675 237 HD1 TRP 26 HD TRP 26 11.698 2.026 3.867 238 HE1 TRP 26 1HE TRP 26 11.447 4.383 4.798 239 HE3 TRP 26 3HE TRP 26 16.600 3.487 3.694 240 HZ2 TRP 26 2HZ TRP 26 13.159 6.638 5.398 241 HZ3 TRP 26 3HZ TRP 26 17.250 5.743 4.452 242 HH2 TRP 26 HH TRP 26 15.547 7.327 5.304 243 H VAL 27 H VAL 27 14.113 2.072 -0.714 244 HA VAL 27 HA VAL 27 11.209 1.651 -0.518 245 HB VAL 27 HB VAL 27 11.324 2.665 -2.870 246 1HG1 VAL 27 1HG1 VAL 27 12.196 4.004 -0.310 247 2HG1 VAL 27 2HG1 VAL 27 12.152 4.944 -1.820 248 3HG1 VAL 27 3HG1 VAL 27 10.669 4.173 -1.208 249 1HG2 VAL 27 1HG2 VAL 27 13.380 3.653 -3.588 250 2HG2 VAL 27 2HG2 VAL 27 14.158 3.354 -2.015 251 3HG2 VAL 27 3HG2 VAL 27 13.793 1.991 -3.101 252 H LYS 28 H LYS 28 12.208 -0.784 -0.240 253 HA LYS 28 HA LYS 28 11.086 -2.389 -2.118 254 1HB LYS 28 1HB LYS 28 13.591 -1.205 -3.157 255 2HB LYS 28 2HB LYS 28 13.494 -2.976 -3.303 256 1HG LYS 28 1HG LYS 28 11.677 -2.897 -4.733 257 2HG LYS 28 2HG LYS 28 11.064 -1.377 -4.040 258 1HD LYS 28 1HD LYS 28 12.911 -0.135 -5.116 259 2HD LYS 28 2HD LYS 28 13.540 -1.654 -5.798 260 1HE LYS 28 1HE LYS 28 12.266 -0.812 -7.571 261 2HE LYS 28 2HE LYS 28 11.122 -1.916 -6.777 262 1HZ LYS 28 1HZ LYS 28 11.234 1.001 -6.604 263 2HZ LYS 28 2HZ LYS 28 9.990 0.051 -7.123 264 3HZ LYS 28 3HZ LYS 28 10.385 0.092 -5.522 265 H VAL 29 H VAL 29 11.663 -2.395 0.622 266 HA VAL 29 HA VAL 29 13.660 -4.576 0.917 267 HB VAL 29 HB VAL 29 12.325 -2.888 3.066 268 1HG1 VAL 29 1HG1 VAL 29 14.994 -4.041 3.519 269 2HG1 VAL 29 2HG1 VAL 29 13.538 -4.111 4.540 270 3HG1 VAL 29 3HG1 VAL 29 13.751 -5.278 3.213 271 1HG2 VAL 29 1HG2 VAL 29 14.862 -2.507 1.448 272 2HG2 VAL 29 2HG2 VAL 29 13.572 -1.328 1.788 273 3HG2 VAL 29 3HG2 VAL 29 14.691 -1.821 3.081 274 H GLN 30 H GLN 30 10.927 -4.881 -0.236 275 HA GLN 30 HA GLN 30 10.175 -7.244 1.167 276 1HB GLN 30 1HB GLN 30 9.368 -5.493 2.796 277 2HB GLN 30 2HB GLN 30 8.267 -4.904 1.527 278 1HG GLN 30 1HG GLN 30 7.848 -7.658 1.520 279 2HG GLN 30 2HG GLN 30 8.059 -7.282 3.244 280 1HE2 GLN 30 1HE2 GLN 30 5.957 -7.117 0.499 281 2HE2 GLN 30 2HE2 GLN 30 4.651 -6.230 1.255 282 H ARG 31 H ARG 31 10.564 -7.631 -1.196 283 HA ARG 31 HA ARG 31 8.905 -6.571 -3.216 284 1HB ARG 31 1HB ARG 31 11.045 -8.082 -3.311 285 2HB ARG 31 2HB ARG 31 9.881 -9.427 -3.244 286 1HG ARG 31 1HG ARG 31 8.687 -7.866 -5.126 287 2HG ARG 31 2HG ARG 31 10.393 -7.449 -5.417 288 1HD ARG 31 1HD ARG 31 10.551 -9.361 -6.600 289 2HD ARG 31 2HD ARG 31 10.409 -10.228 -5.056 290 HE ARG 31 HE ARG 31 7.799 -9.569 -5.936 291 1HH1 ARG 31 2HH2 ARG 31 10.554 -11.585 -6.856 292 2HH1 ARG 31 1HH2 ARG 31 9.575 -12.803 -7.643 293 1HH2 ARG 31 2HH1 ARG 31 6.506 -11.178 -6.975 294 2HH2 ARG 31 1HH1 ARG 31 7.267 -12.570 -7.710 295 H GLY 32 H GLY 32 6.940 -7.212 -4.106 296 1HA GLY 32 1HA GLY 32 5.536 -9.539 -3.036 297 2HA GLY 32 2HA GLY 32 4.852 -7.973 -2.547 Start of MODEL 14 1 HA PRO 1 HA PRO 1 -18.690 12.523 -7.382 2 1HB PRO 1 1HB PRO 1 -16.030 12.877 -7.850 3 2HB PRO 1 2HB PRO 1 -17.276 13.862 -8.683 4 1HG PRO 1 1HG PRO 1 -15.721 14.594 -6.185 5 2HG PRO 1 2HG PRO 1 -15.903 15.571 -7.679 6 1HD PRO 1 1HD PRO 1 -17.510 15.971 -5.514 7 2HD PRO 1 2HD PRO 1 -18.185 16.043 -7.171 8 HA PRO 2 HA PRO 2 -17.426 10.420 -3.609 9 1HB PRO 2 1HB PRO 2 -18.313 7.947 -4.330 10 2HB PRO 2 2HB PRO 2 -19.446 9.269 -3.900 11 1HG PRO 2 1HG PRO 2 -18.545 8.450 -6.677 12 2HG PRO 2 2HG PRO 2 -20.230 8.659 -6.097 13 1HD PRO 2 1HD PRO 2 -18.923 10.655 -7.414 14 2HD PRO 2 2HD PRO 2 -19.979 11.029 -6.019 15 H LEU 3 H LEU 3 -15.755 8.890 -3.110 16 HA LEU 3 HA LEU 3 -14.344 7.366 -5.025 17 1HB LEU 3 1HB LEU 3 -12.233 8.893 -4.982 18 2HB LEU 3 2HB LEU 3 -13.545 9.287 -6.118 19 HG LEU 3 HG LEU 3 -14.312 10.593 -3.780 20 1HD1 LEU 3 1HD1 LEU 3 -12.320 10.455 -2.571 21 2HD1 LEU 3 2HD1 LEU 3 -11.310 10.464 -4.037 22 3HD1 LEU 3 3HD1 LEU 3 -12.069 11.971 -3.471 23 1HD2 LEU 3 1HD2 LEU 3 -14.626 11.826 -5.699 24 2HD2 LEU 3 2HD2 LEU 3 -13.112 12.586 -5.152 25 3HD2 LEU 3 3HD2 LEU 3 -13.072 11.321 -6.404 26 H SER 4 H SER 4 -14.009 5.795 -3.534 27 HA SER 4 HA SER 4 -13.248 4.752 -1.642 28 1HB SER 4 1HB SER 4 -11.165 6.197 -2.725 29 2HB SER 4 2HB SER 4 -11.176 6.767 -1.038 30 HG SER 4 HG SER 4 -10.124 4.582 -1.864 31 H GLN 5 H GLN 5 -14.758 4.870 -0.055 32 HA GLN 5 HA GLN 5 -14.333 6.755 2.093 33 1HB GLN 5 1HB GLN 5 -16.301 7.357 0.002 34 2HB GLN 5 2HB GLN 5 -17.029 7.266 1.624 35 1HG GLN 5 1HG GLN 5 -14.459 8.666 1.656 36 2HG GLN 5 2HG GLN 5 -15.615 9.435 0.547 37 1HE2 GLN 5 1HE2 GLN 5 -15.453 11.230 2.173 38 2HE2 GLN 5 2HE2 GLN 5 -16.508 11.170 3.568 39 H GLU 6 H GLU 6 -17.540 5.545 1.222 40 HA GLU 6 HA GLU 6 -17.217 3.451 3.321 41 1HB GLU 6 1HB GLU 6 -19.560 5.242 2.602 42 2HB GLU 6 2HB GLU 6 -19.735 3.778 3.599 43 1HG GLU 6 1HG GLU 6 -17.506 5.549 4.408 44 2HG GLU 6 2HG GLU 6 -19.117 6.282 4.572 45 H THR 7 H THR 7 -16.463 2.901 0.685 46 HA THR 7 HA THR 7 -18.181 0.669 0.114 47 HB THR 7 HB THR 7 -18.574 3.223 -1.363 48 HG1 THR 7 1HG THR 7 -20.059 0.839 -0.939 49 1HG2 THR 7 1HG2 THR 7 -17.934 2.390 -3.366 50 2HG2 THR 7 2HG2 THR 7 -17.670 0.769 -2.680 51 3HG2 THR 7 3HG2 THR 7 -19.295 1.250 -3.225 52 H PHE 8 H PHE 8 -16.655 2.497 -2.488 53 HA PHE 8 HA PHE 8 -15.023 0.418 -3.361 54 1HB PHE 8 1HB PHE 8 -13.592 2.641 -4.064 55 2HB PHE 8 2HB PHE 8 -14.995 2.015 -4.946 56 HD1 PHE 8 1HD PHE 8 -15.040 3.723 -1.632 57 HD2 PHE 8 2HD PHE 8 -15.897 4.017 -5.831 58 HE1 PHE 8 1HE PHE 8 -16.242 5.856 -1.237 59 HE2 PHE 8 2HE PHE 8 -17.099 6.150 -5.436 60 HZ PHE 8 HZ PHE 8 -17.272 7.069 -3.139 61 H SER 9 H SER 9 -14.691 2.409 -0.550 62 HA SER 9 HA SER 9 -11.810 2.118 -0.309 63 1HB SER 9 1HB SER 9 -13.212 4.005 0.652 64 2HB SER 9 2HB SER 9 -13.831 2.835 1.843 65 HG SER 9 HG SER 9 -11.518 4.168 1.850 66 H ASP 10 H ASP 10 -14.665 0.263 0.506 67 HA ASP 10 HA ASP 10 -13.550 -1.294 2.624 68 1HB ASP 10 1HB ASP 10 -16.017 -1.000 1.627 69 2HB ASP 10 2HB ASP 10 -15.553 -2.463 0.731 70 H LEU 11 H LEU 11 -13.145 -1.299 -0.850 71 HA LEU 11 HA LEU 11 -12.060 -4.029 -0.878 72 1HB LEU 11 1HB LEU 11 -11.499 -2.844 -3.326 73 2HB LEU 11 2HB LEU 11 -12.942 -3.813 -2.945 74 HG LEU 11 HG LEU 11 -13.906 -1.837 -3.740 75 1HD1 LEU 11 1HD1 LEU 11 -15.066 -1.036 -1.916 76 2HD1 LEU 11 2HD1 LEU 11 -14.270 -2.420 -1.130 77 3HD1 LEU 11 3HD1 LEU 11 -13.589 -0.785 -0.954 78 1HD2 LEU 11 1HD2 LEU 11 -12.997 0.391 -3.371 79 2HD2 LEU 11 2HD2 LEU 11 -11.807 -0.244 -2.210 80 3HD2 LEU 11 3HD2 LEU 11 -11.682 -0.668 -3.934 81 H TRP 12 H TRP 12 -10.517 -1.628 -2.866 82 HA TRP 12 HA TRP 12 -8.088 -1.729 -2.987 83 1HB TRP 12 1HB TRP 12 -8.523 0.312 -0.839 84 2HB TRP 12 2HB TRP 12 -7.577 0.425 -2.330 85 HD1 TRP 12 HD TRP 12 -10.230 2.163 -0.986 86 HE1 TRP 12 1HE TRP 12 -11.976 2.968 -2.656 87 HE3 TRP 12 3HE TRP 12 -9.079 -0.923 -4.904 88 HZ2 TRP 12 2HZ TRP 12 -12.784 2.353 -5.366 89 HZ3 TRP 12 3HZ TRP 12 -10.358 -0.784 -7.010 90 HH2 TRP 12 HH TRP 12 -12.209 0.844 -7.257 91 H LYS 13 H LYS 13 -9.470 -1.973 0.295 92 HA LYS 13 HA LYS 13 -7.157 -2.263 1.806 93 1HB LYS 13 1HB LYS 13 -9.612 -2.252 2.545 94 2HB LYS 13 2HB LYS 13 -9.625 -3.990 2.161 95 1HG LYS 13 1HG LYS 13 -7.305 -3.761 3.631 96 2HG LYS 13 2HG LYS 13 -8.351 -2.554 4.418 97 1HD LYS 13 1HD LYS 13 -10.169 -4.369 4.446 98 2HD LYS 13 2HD LYS 13 -8.882 -5.519 4.013 99 1HE LYS 13 1HE LYS 13 -8.201 -5.604 6.153 100 2HE LYS 13 2HE LYS 13 -7.945 -3.845 6.159 101 1HZ LYS 13 1HZ LYS 13 -10.641 -4.877 6.433 102 2HZ LYS 13 2HZ LYS 13 -9.634 -4.938 7.737 103 3HZ LYS 13 3HZ LYS 13 -9.978 -3.489 7.030 104 H LEU 14 H LEU 14 -8.051 -4.100 -0.878 105 HA LEU 14 HA LEU 14 -6.859 -6.611 0.065 106 1HB LEU 14 1HB LEU 14 -7.303 -7.247 -2.383 107 2HB LEU 14 2HB LEU 14 -8.727 -6.883 -1.380 108 HG LEU 14 HG LEU 14 -8.712 -5.786 -3.681 109 1HD1 LEU 14 1HD1 LEU 14 -9.442 -4.781 -1.124 110 2HD1 LEU 14 2HD1 LEU 14 -8.725 -3.415 -2.013 111 3HD1 LEU 14 3HD1 LEU 14 -10.103 -4.304 -2.706 112 1HD2 LEU 14 1HD2 LEU 14 -6.094 -5.184 -3.020 113 2HD2 LEU 14 2HD2 LEU 14 -7.028 -4.394 -4.313 114 3HD2 LEU 14 3HD2 LEU 14 -6.926 -3.642 -2.703 115 H LEU 15 H LEU 15 -6.104 -3.852 -2.071 116 HA LEU 15 HA LEU 15 -3.713 -4.953 -3.173 117 1HB LEU 15 1HB LEU 15 -3.534 -2.927 -4.221 118 2HB LEU 15 2HB LEU 15 -5.225 -2.769 -3.688 119 HG LEU 15 HG LEU 15 -4.454 -0.821 -2.758 120 1HD1 LEU 15 1HD1 LEU 15 -4.690 -2.832 -0.925 121 2HD1 LEU 15 2HD1 LEU 15 -3.023 -2.296 -0.604 122 3HD1 LEU 15 3HD1 LEU 15 -4.368 -1.135 -0.493 123 1HD2 LEU 15 1HD2 LEU 15 -1.762 -2.200 -2.879 124 2HD2 LEU 15 2HD2 LEU 15 -2.293 -0.705 -3.687 125 3HD2 LEU 15 3HD2 LEU 15 -1.971 -0.704 -1.936 126 H LYS 16 H LYS 16 -4.499 -4.002 -0.002 127 HA LYS 16 HA LYS 16 -2.176 -2.740 0.923 128 1HB LYS 16 1HB LYS 16 -3.609 -2.812 2.667 129 2HB LYS 16 2HB LYS 16 -4.426 -4.265 2.044 130 1HG LYS 16 1HG LYS 16 -1.649 -4.457 3.230 131 2HG LYS 16 2HG LYS 16 -3.081 -4.438 4.286 132 1HD LYS 16 1HD LYS 16 -2.432 -6.422 2.072 133 2HD LYS 16 2HD LYS 16 -2.589 -6.750 3.814 134 1HE LYS 16 1HE LYS 16 -5.009 -5.628 3.351 135 2HE LYS 16 2HE LYS 16 -4.701 -6.323 1.745 136 1HZ LYS 16 1HZ LYS 16 -5.209 -7.631 4.241 137 2HZ LYS 16 2HZ LYS 16 -5.538 -8.119 2.700 138 3HZ LYS 16 3HZ LYS 16 -4.024 -8.319 3.323 139 H LYS 17 H LYS 17 -2.894 -6.239 0.531 140 HA LYS 17 HA LYS 17 -0.532 -7.251 1.661 141 1HB LYS 17 1HB LYS 17 -2.095 -8.889 1.183 142 2HB LYS 17 2HB LYS 17 -2.507 -8.186 -0.400 143 1HG LYS 17 1HG LYS 17 -1.165 -9.778 -1.293 144 2HG LYS 17 2HG LYS 17 0.197 -8.825 -0.657 145 1HD LYS 17 1HD LYS 17 -1.121 -10.573 1.342 146 2HD LYS 17 2HD LYS 17 -0.322 -11.444 0.012 147 1HE LYS 17 1HE LYS 17 1.760 -10.206 0.423 148 2HE LYS 17 2HE LYS 17 0.969 -9.270 1.710 149 1HZ LYS 17 1HZ LYS 17 0.520 -11.827 2.388 150 2HZ LYS 17 2HZ LYS 17 2.054 -11.883 1.785 151 3HZ LYS 17 3HZ LYS 17 1.691 -10.854 3.021 152 H TRP 18 H TRP 18 -1.129 -5.687 -1.448 153 HA TRP 18 HA TRP 18 1.648 -6.331 -2.287 154 1HB TRP 18 1HB TRP 18 0.513 -5.014 -4.383 155 2HB TRP 18 2HB TRP 18 0.519 -6.771 -4.179 156 HD1 TRP 18 HD TRP 18 -1.740 -4.046 -4.911 157 HE1 TRP 18 1HE TRP 18 -4.186 -4.667 -4.563 158 HE3 TRP 18 3HE TRP 18 -1.105 -8.340 -2.199 159 HZ2 TRP 18 2HZ TRP 18 -5.695 -6.768 -3.266 160 HZ3 TRP 18 3HZ TRP 18 -3.067 -9.622 -1.426 161 HH2 TRP 18 HH TRP 18 -5.363 -8.852 -1.949 162 H LYS 19 H LYS 19 -0.294 -3.898 -0.860 163 HA LYS 19 HA LYS 19 1.424 -1.708 -1.853 164 1HB LYS 19 1HB LYS 19 -1.216 -1.737 -1.476 165 2HB LYS 19 2HB LYS 19 -0.742 -1.322 0.188 166 1HG LYS 19 1HG LYS 19 0.771 0.479 -0.877 167 2HG LYS 19 2HG LYS 19 -0.143 0.190 -2.376 168 1HD LYS 19 1HD LYS 19 -1.410 1.895 -1.424 169 2HD LYS 19 2HD LYS 19 -2.238 0.465 -0.763 170 1HE LYS 19 1HE LYS 19 -0.141 0.910 1.027 171 2HE LYS 19 2HE LYS 19 -0.700 2.547 0.619 172 1HZ LYS 19 1HZ LYS 19 -2.014 1.893 2.359 173 2HZ LYS 19 2HZ LYS 19 -2.977 1.599 1.053 174 3HZ LYS 19 3HZ LYS 19 -2.208 0.351 1.809 175 H MET 20 H MET 20 1.547 -4.056 0.509 176 HA MET 20 HA MET 20 2.470 -2.401 2.717 177 1HB MET 20 1HB MET 20 2.069 -5.304 2.140 178 2HB MET 20 2HB MET 20 3.285 -4.886 3.371 179 1HG MET 20 1HG MET 20 0.404 -3.917 3.312 180 2HG MET 20 2HG MET 20 1.034 -5.203 4.355 181 1HE MET 20 1HE MET 20 1.633 -0.841 4.133 182 2HE MET 20 2HE MET 20 0.346 -1.892 3.496 183 3HE MET 20 3HE MET 20 0.189 -1.177 5.119 184 H ARG 21 H ARG 21 4.688 -2.955 3.705 185 HA ARG 21 HA ARG 21 6.969 -2.885 3.539 186 1HB ARG 21 1HB ARG 21 6.280 -5.043 2.085 187 2HB ARG 21 2HB ARG 21 6.987 -4.052 0.787 188 1HG ARG 21 1HG ARG 21 9.103 -4.047 1.755 189 2HG ARG 21 2HG ARG 21 8.465 -4.285 3.400 190 1HD ARG 21 1HD ARG 21 8.956 -6.472 3.169 191 2HD ARG 21 2HD ARG 21 7.634 -6.562 1.985 192 HE ARG 21 HE ARG 21 10.205 -5.654 0.909 193 1HH1 ARG 21 2HH2 ARG 21 8.045 -8.369 1.590 194 2HH1 ARG 21 1HH2 ARG 21 8.766 -9.421 0.392 195 1HH2 ARG 21 2HH1 ARG 21 11.158 -7.044 -0.673 196 2HH2 ARG 21 1HH1 ARG 21 10.541 -8.665 -0.898 197 H ARG 22 H ARG 22 4.900 -1.069 1.849 198 HA ARG 22 HA ARG 22 6.909 0.218 0.099 199 1HB ARG 22 1HB ARG 22 3.951 0.057 0.248 200 2HB ARG 22 2HB ARG 22 4.599 1.653 -0.198 201 1HG ARG 22 1HG ARG 22 4.163 -0.076 -2.101 202 2HG ARG 22 2HG ARG 22 5.710 0.804 -2.103 203 1HD ARG 22 1HD ARG 22 6.786 -1.170 -2.046 204 2HD ARG 22 2HD ARG 22 6.084 -1.467 -0.440 205 HE ARG 22 HE ARG 22 4.051 -2.285 -1.950 206 1HH1 ARG 22 2HH2 ARG 22 7.525 -2.771 -2.394 207 2HH1 ARG 22 1HH2 ARG 22 7.344 -4.304 -3.218 208 1HH2 ARG 22 2HH1 ARG 22 3.812 -4.310 -3.038 209 2HH2 ARG 22 1HH1 ARG 22 5.227 -5.181 -3.585 210 H ASN 23 H ASN 23 7.980 0.690 2.357 211 HA ASN 23 HA ASN 23 6.830 3.226 3.418 212 1HB ASN 23 1HB ASN 23 7.068 1.317 5.020 213 2HB ASN 23 2HB ASN 23 8.818 1.324 4.712 214 1HD2 ASN 23 1HD2 ASN 23 7.840 1.697 7.298 215 2HD2 ASN 23 2HD2 ASN 23 8.126 3.351 7.796 216 H GLN 24 H GLN 24 10.011 2.564 4.416 217 HA GLN 24 HA GLN 24 11.426 3.695 2.171 218 1HB GLN 24 1HB GLN 24 10.078 5.549 3.784 219 2HB GLN 24 2HB GLN 24 11.757 5.582 4.374 220 1HG GLN 24 1HG GLN 24 12.275 5.559 1.744 221 2HG GLN 24 2HG GLN 24 10.657 6.290 1.674 222 1HE2 GLN 24 1HE2 GLN 24 11.656 8.263 0.893 223 2HE2 GLN 24 2HE2 GLN 24 12.447 9.352 2.012 224 H PHE 25 H PHE 25 11.155 2.601 5.490 225 HA PHE 25 HA PHE 25 13.533 2.773 6.680 226 1HB PHE 25 1HB PHE 25 13.278 0.133 6.995 227 2HB PHE 25 2HB PHE 25 12.190 1.293 7.777 228 HD1 PHE 25 1HD PHE 25 11.634 1.255 4.269 229 HD2 PHE 25 2HD PHE 25 10.780 -0.918 7.875 230 HE1 PHE 25 1HE PHE 25 9.690 0.183 3.163 231 HE2 PHE 25 2HE PHE 25 8.837 -1.990 6.769 232 HZ PHE 25 HZ PHE 25 8.292 -1.440 4.413 233 H TRP 26 H TRP 26 12.952 0.419 4.002 234 HA TRP 26 HA TRP 26 15.736 -0.291 3.824 235 1HB TRP 26 1HB TRP 26 14.818 -1.121 1.491 236 2HB TRP 26 2HB TRP 26 14.403 -1.954 2.995 237 HD1 TRP 26 HD TRP 26 11.998 -2.657 2.984 238 HE1 TRP 26 1HE TRP 26 9.767 -1.741 2.165 239 HE3 TRP 26 3HE TRP 26 13.643 1.703 0.867 240 HZ2 TRP 26 2HZ TRP 26 8.802 0.598 0.760 241 HZ3 TRP 26 3HZ TRP 26 12.041 3.247 -0.200 242 HH2 TRP 26 HH TRP 26 9.623 2.711 -0.263 243 H VAL 27 H VAL 27 15.539 2.516 3.853 244 HA VAL 27 HA VAL 27 15.733 3.487 1.109 245 HB VAL 27 HB VAL 27 15.497 4.586 3.798 246 1HG1 VAL 27 1HG1 VAL 27 17.945 5.064 3.314 247 2HG1 VAL 27 2HG1 VAL 27 17.408 6.019 1.911 248 3HG1 VAL 27 3HG1 VAL 27 16.936 6.510 3.556 249 1HG2 VAL 27 1HG2 VAL 27 14.051 5.936 2.684 250 2HG2 VAL 27 2HG2 VAL 27 15.272 6.380 1.468 251 3HG2 VAL 27 3HG2 VAL 27 14.345 4.871 1.288 252 H LYS 28 H LYS 28 17.666 1.460 2.674 253 HA LYS 28 HA LYS 28 20.089 2.590 1.405 254 1HB LYS 28 1HB LYS 28 19.618 2.544 4.225 255 2HB LYS 28 2HB LYS 28 20.845 1.308 3.860 256 1HG LYS 28 1HG LYS 28 21.053 4.022 2.560 257 2HG LYS 28 2HG LYS 28 21.569 3.826 4.252 258 1HD LYS 28 1HD LYS 28 22.930 1.797 3.428 259 2HD LYS 28 2HD LYS 28 22.629 2.409 1.784 260 1HE LYS 28 1HE LYS 28 24.115 4.099 2.026 261 2HE LYS 28 2HE LYS 28 23.512 4.507 3.647 262 1HZ LYS 28 1HZ LYS 28 25.856 3.604 3.377 263 2HZ LYS 28 2HZ LYS 28 24.922 3.022 4.606 264 3HZ LYS 28 3HZ LYS 28 25.136 2.126 3.238 265 H VAL 29 H VAL 29 18.776 0.756 0.069 266 HA VAL 29 HA VAL 29 19.788 -1.905 0.901 267 HB VAL 29 HB VAL 29 18.292 -2.557 -1.146 268 1HG1 VAL 29 1HG1 VAL 29 17.070 -1.391 1.393 269 2HG1 VAL 29 2HG1 VAL 29 16.320 -2.604 0.328 270 3HG1 VAL 29 3HG1 VAL 29 17.786 -3.014 1.250 271 1HG2 VAL 29 1HG2 VAL 29 17.074 0.137 -0.430 272 2HG2 VAL 29 2HG2 VAL 29 18.118 -0.108 -1.851 273 3HG2 VAL 29 3HG2 VAL 29 16.571 -0.980 -1.722 274 H GLN 30 H GLN 30 22.013 -1.016 0.365 275 HA GLN 30 HA GLN 30 22.931 -0.177 -2.071 276 1HB GLN 30 1HB GLN 30 24.055 -1.180 0.248 277 2HB GLN 30 2HB GLN 30 24.553 -2.378 -0.971 278 1HG GLN 30 1HG GLN 30 25.476 -0.617 -2.386 279 2HG GLN 30 2HG GLN 30 24.870 0.635 -1.279 280 1HE2 GLN 30 1HE2 GLN 30 27.672 -0.276 -2.218 281 2HE2 GLN 30 2HE2 GLN 30 28.572 -0.452 -0.727 282 H ARG 31 H ARG 31 22.572 -3.648 -1.135 283 HA ARG 31 HA ARG 31 23.194 -4.725 -3.655 284 1HB ARG 31 1HB ARG 31 21.840 -6.696 -2.833 285 2HB ARG 31 2HB ARG 31 23.086 -6.126 -1.696 286 1HG ARG 31 1HG ARG 31 21.445 -5.961 -0.150 287 2HG ARG 31 2HG ARG 31 20.818 -4.583 -1.087 288 1HD ARG 31 1HD ARG 31 18.938 -5.889 -1.177 289 2HD ARG 31 2HD ARG 31 19.797 -6.615 -2.552 290 HE ARG 31 HE ARG 31 20.161 -8.547 -1.303 291 1HH1 ARG 31 2HH2 ARG 31 18.932 -5.928 0.730 292 2HH1 ARG 31 1HH2 ARG 31 18.635 -6.957 2.113 293 1HH2 ARG 31 2HH1 ARG 31 19.768 -9.906 0.524 294 2HH2 ARG 31 1HH1 ARG 31 19.111 -9.225 1.996 295 H GLY 32 H GLY 32 20.197 -3.304 -2.393 296 1HA GLY 32 1HA GLY 32 18.496 -2.389 -3.730 297 2HA GLY 32 2HA GLY 32 19.123 -3.280 -5.136 Start of MODEL 15 1 HA PRO 1 HA PRO 1 -17.050 12.596 -5.670 2 1HB PRO 1 1HB PRO 1 -14.868 11.666 -7.011 3 2HB PRO 1 2HB PRO 1 -15.988 12.862 -7.742 4 1HG PRO 1 1HG PRO 1 -13.382 13.427 -6.300 5 2HG PRO 1 2HG PRO 1 -13.875 14.009 -7.923 6 1HD PRO 1 1HD PRO 1 -14.212 15.548 -5.699 7 2HD PRO 1 2HD PRO 1 -15.467 15.509 -6.974 8 HA PRO 2 HA PRO 2 -15.110 10.913 -2.021 9 1HB PRO 2 1HB PRO 2 -16.635 8.663 -1.825 10 2HB PRO 2 2HB PRO 2 -17.312 10.295 -1.513 11 1HG PRO 2 1HG PRO 2 -17.435 8.718 -4.100 12 2HG PRO 2 2HG PRO 2 -18.804 9.473 -3.219 13 1HD PRO 2 1HD PRO 2 -17.570 10.746 -5.290 14 2HD PRO 2 2HD PRO 2 -18.082 11.660 -3.839 15 H LEU 3 H LEU 3 -13.976 8.838 -1.470 16 HA LEU 3 HA LEU 3 -13.398 6.882 -3.458 17 1HB LEU 3 1HB LEU 3 -12.257 8.953 -4.428 18 2HB LEU 3 2HB LEU 3 -11.151 8.877 -3.036 19 HG LEU 3 HG LEU 3 -10.229 7.688 -5.020 20 1HD1 LEU 3 1HD1 LEU 3 -11.000 5.551 -3.034 21 2HD1 LEU 3 2HD1 LEU 3 -9.422 5.869 -3.793 22 3HD1 LEU 3 3HD1 LEU 3 -10.016 6.933 -2.496 23 1HD2 LEU 3 1HD2 LEU 3 -11.677 6.541 -6.315 24 2HD2 LEU 3 2HD2 LEU 3 -11.765 5.315 -5.027 25 3HD2 LEU 3 3HD2 LEU 3 -12.946 6.646 -5.071 26 H SER 4 H SER 4 -12.720 5.124 -2.370 27 HA SER 4 HA SER 4 -12.027 3.830 -0.612 28 1HB SER 4 1HB SER 4 -9.924 5.435 -1.383 29 2HB SER 4 2HB SER 4 -10.017 5.760 0.364 30 HG SER 4 HG SER 4 -8.756 3.850 -0.437 31 H GLN 5 H GLN 5 -13.602 3.702 0.909 32 HA GLN 5 HA GLN 5 -13.304 5.273 3.317 33 1HB GLN 5 1HB GLN 5 -15.150 6.174 1.245 34 2HB GLN 5 2HB GLN 5 -16.008 5.771 2.751 35 1HG GLN 5 1HG GLN 5 -15.356 7.791 3.518 36 2HG GLN 5 2HG GLN 5 -13.718 7.109 3.626 37 1HE2 GLN 5 1HE2 GLN 5 -12.939 9.315 3.248 38 2HE2 GLN 5 2HE2 GLN 5 -12.879 9.940 1.614 39 H GLU 6 H GLU 6 -16.418 4.100 2.084 40 HA GLU 6 HA GLU 6 -16.158 1.776 3.936 41 1HB GLU 6 1HB GLU 6 -18.550 3.517 3.238 42 2HB GLU 6 2HB GLU 6 -18.672 1.977 4.122 43 1HG GLU 6 1HG GLU 6 -16.575 3.635 5.258 44 2HG GLU 6 2HG GLU 6 -18.106 4.535 5.195 45 H THR 7 H THR 7 -15.205 1.594 1.305 46 HA THR 7 HA THR 7 -16.719 -0.637 0.357 47 HB THR 7 HB THR 7 -17.275 2.053 -0.812 48 HG1 THR 7 1HG THR 7 -19.169 1.273 -0.438 49 1HG2 THR 7 1HG2 THR 7 -16.617 1.489 -2.897 50 2HG2 THR 7 2HG2 THR 7 -16.180 -0.154 -2.370 51 3HG2 THR 7 3HG2 THR 7 -17.851 0.206 -2.868 52 H PHE 8 H PHE 8 -15.345 1.597 -1.980 53 HA PHE 8 HA PHE 8 -13.517 -0.160 -3.072 54 1HB PHE 8 1HB PHE 8 -12.228 2.231 -3.365 55 2HB PHE 8 2HB PHE 8 -13.572 1.675 -4.376 56 HD1 PHE 8 1HD PHE 8 -13.780 2.817 -0.832 57 HD2 PHE 8 2HD PHE 8 -14.589 3.732 -4.951 58 HE1 PHE 8 1HE PHE 8 -15.123 4.781 -0.132 59 HE2 PHE 8 2HE PHE 8 -15.932 5.696 -4.251 60 HZ PHE 8 HZ PHE 8 -16.199 6.220 -1.841 61 H SER 9 H SER 9 -13.413 1.319 0.043 62 HA SER 9 HA SER 9 -10.524 1.222 0.343 63 1HB SER 9 1HB SER 9 -10.993 1.824 2.656 64 2HB SER 9 2HB SER 9 -12.009 2.811 1.578 65 HG SER 9 HG SER 9 -12.712 0.866 3.396 66 H ASP 10 H ASP 10 -13.308 -0.881 1.010 67 HA ASP 10 HA ASP 10 -12.092 -2.720 2.752 68 1HB ASP 10 1HB ASP 10 -13.827 -4.005 0.801 69 2HB ASP 10 2HB ASP 10 -14.084 -3.731 2.538 70 H LEU 11 H LEU 11 -11.741 -2.227 -0.727 71 HA LEU 11 HA LEU 11 -10.392 -4.781 -1.138 72 1HB LEU 11 1HB LEU 11 -9.835 -3.175 -3.326 73 2HB LEU 11 2HB LEU 11 -11.239 -4.258 -3.168 74 HG LEU 11 HG LEU 11 -12.294 -2.234 -3.646 75 1HD1 LEU 11 1HD1 LEU 11 -12.707 -3.228 -1.195 76 2HD1 LEU 11 2HD1 LEU 11 -12.030 -1.655 -0.710 77 3HD1 LEU 11 3HD1 LEU 11 -13.488 -1.720 -1.728 78 1HD2 LEU 11 1HD2 LEU 11 -10.322 -0.779 -1.839 79 2HD2 LEU 11 2HD2 LEU 11 -10.096 -0.970 -3.594 80 3HD2 LEU 11 3HD2 LEU 11 -11.490 -0.055 -2.971 81 H TRP 12 H TRP 12 -8.924 -2.050 -2.673 82 HA TRP 12 HA TRP 12 -6.501 -1.964 -2.682 83 1HB TRP 12 1HB TRP 12 -7.158 -0.327 -0.258 84 2HB TRP 12 2HB TRP 12 -6.149 0.078 -1.653 85 HD1 TRP 12 HD TRP 12 -8.949 1.452 -0.216 86 HE1 TRP 12 1HE TRP 12 -10.665 2.411 -1.836 87 HE3 TRP 12 3HE TRP 12 -7.460 -0.949 -4.484 88 HZ2 TRP 12 2HZ TRP 12 -11.321 2.172 -4.645 89 HZ3 TRP 12 3HZ TRP 12 -8.653 -0.559 -6.609 90 HH2 TRP 12 HH TRP 12 -10.581 0.995 -6.706 91 H LYS 13 H LYS 13 -7.973 -2.805 0.461 92 HA LYS 13 HA LYS 13 -5.689 -3.208 1.996 93 1HB LYS 13 1HB LYS 13 -8.202 -3.451 2.584 94 2HB LYS 13 2HB LYS 13 -8.027 -5.131 2.023 95 1HG LYS 13 1HG LYS 13 -5.804 -4.840 3.629 96 2HG LYS 13 2HG LYS 13 -7.000 -3.835 4.480 97 1HD LYS 13 1HD LYS 13 -8.505 -6.045 3.822 98 2HD LYS 13 2HD LYS 13 -6.907 -6.774 4.111 99 1HE LYS 13 1HE LYS 13 -8.343 -4.877 6.013 100 2HE LYS 13 2HE LYS 13 -8.281 -6.644 6.187 101 1HZ LYS 13 1HZ LYS 13 -5.782 -5.219 5.910 102 2HZ LYS 13 2HZ LYS 13 -6.579 -5.091 7.349 103 3HZ LYS 13 3HZ LYS 13 -6.137 -6.575 6.780 104 H LEU 14 H LEU 14 -6.408 -4.647 -0.969 105 HA LEU 14 HA LEU 14 -5.061 -7.194 -0.364 106 1HB LEU 14 1HB LEU 14 -5.511 -7.563 -2.850 107 2HB LEU 14 2HB LEU 14 -6.949 -7.376 -1.818 108 HG LEU 14 HG LEU 14 -7.036 -6.034 -3.958 109 1HD1 LEU 14 1HD1 LEU 14 -7.725 -5.317 -1.319 110 2HD1 LEU 14 2HD1 LEU 14 -6.986 -3.857 -2.018 111 3HD1 LEU 14 3HD1 LEU 14 -8.379 -4.620 -2.820 112 1HD2 LEU 14 1HD2 LEU 14 -5.390 -4.572 -4.523 113 2HD2 LEU 14 2HD2 LEU 14 -5.244 -3.960 -2.858 114 3HD2 LEU 14 3HD2 LEU 14 -4.400 -5.453 -3.335 115 H LEU 15 H LEU 15 -4.548 -4.139 -2.144 116 HA LEU 15 HA LEU 15 -1.971 -5.008 -3.182 117 1HB LEU 15 1HB LEU 15 -2.425 -3.330 -4.600 118 2HB LEU 15 2HB LEU 15 -3.850 -2.882 -3.632 119 HG LEU 15 HG LEU 15 -2.186 -1.700 -2.049 120 1HD1 LEU 15 1HD1 LEU 15 -0.212 -2.913 -3.186 121 2HD1 LEU 15 2HD1 LEU 15 -0.417 -1.748 -4.516 122 3HD1 LEU 15 3HD1 LEU 15 -0.017 -1.170 -2.881 123 1HD2 LEU 15 1HD2 LEU 15 -2.460 -0.666 -4.904 124 2HD2 LEU 15 2HD2 LEU 15 -3.717 -0.544 -3.649 125 3HD2 LEU 15 3HD2 LEU 15 -2.171 0.316 -3.448 126 H LYS 16 H LYS 16 -3.134 -3.929 -0.174 127 HA LYS 16 HA LYS 16 -1.320 -2.159 0.853 128 1HB LYS 16 1HB LYS 16 -2.714 -2.770 2.531 129 2HB LYS 16 2HB LYS 16 -2.901 -4.424 1.901 130 1HG LYS 16 1HG LYS 16 -0.283 -3.565 3.142 131 2HG LYS 16 2HG LYS 16 -1.644 -4.049 4.182 132 1HD LYS 16 1HD LYS 16 -0.163 -5.690 2.107 133 2HD LYS 16 2HD LYS 16 -0.466 -6.070 3.820 134 1HE LYS 16 1HE LYS 16 -3.003 -5.928 3.088 135 2HE LYS 16 2HE LYS 16 -2.342 -6.220 1.464 136 1HZ LYS 16 1HZ LYS 16 -2.070 -7.924 3.832 137 2HZ LYS 16 2HZ LYS 16 -2.846 -8.274 2.420 138 3HZ LYS 16 3HZ LYS 16 -1.201 -8.150 2.449 139 H LYS 17 H LYS 17 -0.825 -5.720 0.570 140 HA LYS 17 HA LYS 17 1.747 -5.846 1.654 141 1HB LYS 17 1HB LYS 17 0.780 -7.915 1.219 142 2HB LYS 17 2HB LYS 17 0.224 -7.434 -0.402 143 1HG LYS 17 1HG LYS 17 2.043 -8.544 -1.179 144 2HG LYS 17 2HG LYS 17 2.988 -7.160 -0.578 145 1HD LYS 17 1HD LYS 17 4.066 -8.839 0.577 146 2HD LYS 17 2HD LYS 17 2.748 -8.525 1.732 147 1HE LYS 17 1HE LYS 17 1.428 -10.344 0.798 148 2HE LYS 17 2HE LYS 17 2.622 -10.599 -0.493 149 1HZ LYS 17 1HZ LYS 17 3.361 -12.107 0.933 150 2HZ LYS 17 2HZ LYS 17 4.128 -10.832 1.644 151 3HZ LYS 17 3HZ LYS 17 2.704 -11.388 2.263 152 H TRP 18 H TRP 18 0.647 -4.610 -1.458 153 HA TRP 18 HA TRP 18 3.490 -4.238 -2.264 154 1HB TRP 18 1HB TRP 18 2.071 -3.646 -4.484 155 2HB TRP 18 2HB TRP 18 2.674 -5.264 -4.099 156 HD1 TRP 18 HD TRP 18 -0.372 -3.518 -5.065 157 HE1 TRP 18 1HE TRP 18 -2.457 -4.944 -4.738 158 HE3 TRP 18 3HE TRP 18 1.624 -7.206 -2.130 159 HZ2 TRP 18 2HZ TRP 18 -3.182 -7.390 -3.371 160 HZ3 TRP 18 3HZ TRP 18 0.208 -9.064 -1.336 161 HH2 TRP 18 HH TRP 18 -2.191 -9.170 -1.945 162 H LYS 19 H LYS 19 0.712 -2.685 -1.023 163 HA LYS 19 HA LYS 19 1.415 -0.071 -2.202 164 1HB LYS 19 1HB LYS 19 -0.869 -0.120 -2.155 165 2HB LYS 19 2HB LYS 19 -0.923 -1.278 -0.805 166 1HG LYS 19 1HG LYS 19 -0.229 0.539 0.752 167 2HG LYS 19 2HG LYS 19 -0.250 1.689 -0.606 168 1HD LYS 19 1HD LYS 19 -2.584 1.573 -0.837 169 2HD LYS 19 2HD LYS 19 -2.686 0.003 -0.006 170 1HE LYS 19 1HE LYS 19 -1.821 1.243 2.081 171 2HE LYS 19 2HE LYS 19 -2.184 2.742 1.199 172 1HZ LYS 19 1HZ LYS 19 -4.198 2.487 1.989 173 2HZ LYS 19 2HZ LYS 19 -4.402 1.249 0.919 174 3HZ LYS 19 3HZ LYS 19 -3.942 0.930 2.471 175 H MET 20 H MET 20 2.432 -1.994 0.339 176 HA MET 20 HA MET 20 2.934 0.349 2.104 177 1HB MET 20 1HB MET 20 2.858 -2.647 2.594 178 2HB MET 20 2HB MET 20 3.515 -1.490 3.777 179 1HG MET 20 1HG MET 20 0.739 -1.292 2.562 180 2HG MET 20 2HG MET 20 1.080 -2.092 4.105 181 1HE MET 20 1HE MET 20 1.193 1.506 2.212 182 2HE MET 20 2HE MET 20 -0.341 0.656 2.521 183 3HE MET 20 3HE MET 20 0.036 2.160 3.395 184 H ARG 21 H ARG 21 5.049 0.733 2.894 185 HA ARG 21 HA ARG 21 7.326 0.877 2.722 186 1HB ARG 21 1HB ARG 21 6.779 -1.791 3.000 187 2HB ARG 21 2HB ARG 21 7.682 -1.784 1.466 188 1HG ARG 21 1HG ARG 21 9.569 -0.701 2.474 189 2HG ARG 21 2HG ARG 21 8.649 -0.320 3.950 190 1HD ARG 21 1HD ARG 21 8.335 -2.901 4.144 191 2HD ARG 21 2HD ARG 21 9.684 -2.999 2.991 192 HE ARG 21 HE ARG 21 10.651 -1.302 4.905 193 1HH1 ARG 21 2HH2 ARG 21 9.112 -4.484 4.993 194 2HH1 ARG 21 1HH2 ARG 21 9.961 -5.007 6.431 195 1HH2 ARG 21 2HH1 ARG 21 11.772 -1.992 6.805 196 2HH2 ARG 21 1HH1 ARG 21 11.478 -3.586 7.464 197 H ARG 22 H ARG 22 5.430 1.436 0.400 198 HA ARG 22 HA ARG 22 7.239 0.982 -1.894 199 1HB ARG 22 1HB ARG 22 5.059 2.386 -2.831 200 2HB ARG 22 2HB ARG 22 5.195 0.611 -2.796 201 1HG ARG 22 1HG ARG 22 3.107 1.194 -1.726 202 2HG ARG 22 2HG ARG 22 4.234 0.682 -0.446 203 1HD ARG 22 1HD ARG 22 4.705 3.438 -0.772 204 2HD ARG 22 2HD ARG 22 2.938 3.266 -0.854 205 HE ARG 22 HE ARG 22 4.109 1.768 1.338 206 1HH1 ARG 22 2HH2 ARG 22 2.998 4.945 0.253 207 2HH1 ARG 22 1HH2 ARG 22 2.660 5.529 1.867 208 1HH2 ARG 22 2HH1 ARG 22 3.662 2.540 3.470 209 2HH2 ARG 22 1HH1 ARG 22 3.038 4.158 3.701 210 H ASN 23 H ASN 23 8.779 2.490 -0.616 211 HA ASN 23 HA ASN 23 8.143 5.302 -1.380 212 1HB ASN 23 1HB ASN 23 8.324 4.599 1.140 213 2HB ASN 23 2HB ASN 23 10.071 4.563 0.817 214 1HD2 ASN 23 1HD2 ASN 23 9.464 6.723 -1.359 215 2HD2 ASN 23 2HD2 ASN 23 9.415 8.211 -0.438 216 H GLN 24 H GLN 24 11.091 5.641 -0.306 217 HA GLN 24 HA GLN 24 12.288 5.245 -2.970 218 1HB GLN 24 1HB GLN 24 13.166 6.720 -0.461 219 2HB GLN 24 2HB GLN 24 14.160 6.593 -1.931 220 1HG GLN 24 1HG GLN 24 11.304 7.517 -2.170 221 2HG GLN 24 2HG GLN 24 12.531 8.657 -1.574 222 1HE2 GLN 24 1HE2 GLN 24 11.020 8.817 -4.078 223 2HE2 GLN 24 2HE2 GLN 24 12.194 8.770 -5.376 224 H PHE 25 H PHE 25 14.235 5.207 -0.045 225 HA PHE 25 HA PHE 25 15.508 2.746 -0.872 226 1HB PHE 25 1HB PHE 25 15.991 3.626 1.878 227 2HB PHE 25 2HB PHE 25 17.126 3.419 0.533 228 HD1 PHE 25 1HD PHE 25 14.509 5.759 1.845 229 HD2 PHE 25 2HD PHE 25 18.079 5.287 -0.496 230 HE1 PHE 25 1HE PHE 25 14.681 8.222 1.611 231 HE2 PHE 25 2HE PHE 25 18.252 7.750 -0.730 232 HZ PHE 25 HZ PHE 25 16.553 9.218 0.324 233 H TRP 26 H TRP 26 13.081 3.711 1.551 234 HA TRP 26 HA TRP 26 13.022 1.512 3.215 235 1HB TRP 26 1HB TRP 26 10.675 2.994 1.990 236 2HB TRP 26 2HB TRP 26 10.589 1.948 3.415 237 HD1 TRP 26 HD TRP 26 11.320 2.925 5.697 238 HE1 TRP 26 1HE TRP 26 11.948 5.244 6.545 239 HE3 TRP 26 3HE TRP 26 11.939 5.290 1.200 240 HZ2 TRP 26 2HZ TRP 26 12.636 7.819 5.417 241 HZ3 TRP 26 3HZ TRP 26 12.579 7.672 1.127 242 HH2 TRP 26 HH TRP 26 12.930 8.948 3.221 243 H VAL 27 H VAL 27 12.256 1.669 -0.194 244 HA VAL 27 HA VAL 27 10.735 -0.806 -0.235 245 HB VAL 27 HB VAL 27 11.449 1.340 -2.056 246 1HG1 VAL 27 1HG1 VAL 27 13.025 -0.493 -2.867 247 2HG1 VAL 27 2HG1 VAL 27 11.579 -1.468 -3.222 248 3HG1 VAL 27 3HG1 VAL 27 11.841 0.076 -4.068 249 1HG2 VAL 27 1HG2 VAL 27 9.348 -0.735 -1.631 250 2HG2 VAL 27 2HG2 VAL 27 9.182 1.008 -1.947 251 3HG2 VAL 27 3HG2 VAL 27 9.510 -0.113 -3.290 252 H LYS 28 H LYS 28 13.741 -0.418 0.738 253 HA LYS 28 HA LYS 28 14.557 -3.070 0.022 254 1HB LYS 28 1HB LYS 28 15.237 -0.977 -1.833 255 2HB LYS 28 2HB LYS 28 16.723 -1.541 -1.030 256 1HG LYS 28 1HG LYS 28 16.086 -3.892 -1.556 257 2HG LYS 28 2HG LYS 28 14.646 -3.293 -2.413 258 1HD LYS 28 1HD LYS 28 17.171 -1.990 -3.237 259 2HD LYS 28 2HD LYS 28 17.107 -3.735 -3.583 260 1HE LYS 28 1HE LYS 28 15.561 -3.458 -5.210 261 2HE LYS 28 2HE LYS 28 14.584 -2.366 -4.204 262 1HZ LYS 28 1HZ LYS 28 15.930 -0.577 -4.828 263 2HZ LYS 28 2HZ LYS 28 17.045 -1.543 -5.566 264 3HZ LYS 28 3HZ LYS 28 15.540 -1.370 -6.220 265 H VAL 29 H VAL 29 14.143 -1.548 2.408 266 HA VAL 29 HA VAL 29 16.944 -1.294 3.399 267 HB VAL 29 HB VAL 29 14.368 0.071 4.262 268 1HG1 VAL 29 1HG1 VAL 29 17.015 -0.327 5.630 269 2HG1 VAL 29 2HG1 VAL 29 16.217 1.256 5.787 270 3HG1 VAL 29 3HG1 VAL 29 15.381 -0.219 6.328 271 1HG2 VAL 29 1HG2 VAL 29 15.159 1.886 3.149 272 2HG2 VAL 29 2HG2 VAL 29 16.819 1.628 3.738 273 3HG2 VAL 29 3HG2 VAL 29 16.230 0.735 2.315 274 H GLN 30 H GLN 30 15.268 -3.754 3.084 275 HA GLN 30 HA GLN 30 15.679 -4.763 5.789 276 1HB GLN 30 1HB GLN 30 13.415 -3.775 5.952 277 2HB GLN 30 2HB GLN 30 12.897 -4.748 4.554 278 1HG GLN 30 1HG GLN 30 12.220 -5.904 6.576 279 2HG GLN 30 2HG GLN 30 13.552 -6.814 5.831 280 1HE2 GLN 30 1HE2 GLN 30 13.677 -7.709 8.102 281 2HE2 GLN 30 2HE2 GLN 30 14.665 -6.842 9.258 282 H ARG 31 H ARG 31 13.688 -5.661 2.914 283 HA ARG 31 HA ARG 31 13.748 -7.517 1.577 284 1HB ARG 31 1HB ARG 31 16.665 -7.094 2.242 285 2HB ARG 31 2HB ARG 31 16.152 -8.481 1.252 286 1HG ARG 31 1HG ARG 31 14.984 -5.837 0.514 287 2HG ARG 31 2HG ARG 31 16.725 -6.039 0.205 288 1HD ARG 31 1HD ARG 31 15.260 -8.428 -0.572 289 2HD ARG 31 2HD ARG 31 14.581 -6.994 -1.373 290 HE ARG 31 HE ARG 31 17.425 -6.907 -1.549 291 1HH1 ARG 31 2HH2 ARG 31 14.626 -8.691 -2.768 292 2HH1 ARG 31 1HH2 ARG 31 15.389 -9.123 -4.282 293 1HH2 ARG 31 2HH1 ARG 31 18.433 -7.479 -3.549 294 2HH2 ARG 31 1HH1 ARG 31 17.559 -8.432 -4.727 295 H GLY 32 H GLY 32 12.425 -8.780 2.964 296 1HA GLY 32 1HA GLY 32 13.442 -11.278 3.710 297 2HA GLY 32 2HA GLY 32 13.464 -10.269 5.174 Start of MODEL 16 1 HA PRO 1 HA PRO 1 -13.727 4.451 11.455 2 1HB PRO 1 1HB PRO 1 -11.381 3.121 11.068 3 2HB PRO 1 2HB PRO 1 -11.711 4.036 12.575 4 1HG PRO 1 1HG PRO 1 -12.097 1.066 12.105 5 2HG PRO 1 2HG PRO 1 -11.195 1.847 13.443 6 1HD PRO 1 1HD PRO 1 -13.786 1.058 13.747 7 2HD PRO 1 2HD PRO 1 -13.218 2.600 14.456 8 HA PRO 2 HA PRO 2 -14.965 2.296 7.810 9 1HB PRO 2 1HB PRO 2 -13.784 3.829 5.892 10 2HB PRO 2 2HB PRO 2 -15.093 4.467 6.940 11 1HG PRO 2 1HG PRO 2 -12.104 4.772 7.342 12 2HG PRO 2 2HG PRO 2 -13.338 6.074 7.330 13 1HD PRO 2 1HD PRO 2 -12.467 4.961 9.661 14 2HD PRO 2 2HD PRO 2 -14.196 5.369 9.440 15 H LEU 3 H LEU 3 -13.474 2.005 5.459 16 HA LEU 3 HA LEU 3 -10.843 0.931 6.107 17 1HB LEU 3 1HB LEU 3 -12.141 -0.940 6.883 18 2HB LEU 3 2HB LEU 3 -13.193 -0.880 5.448 19 HG LEU 3 HG LEU 3 -10.276 -1.118 4.897 20 1HD1 LEU 3 1HD1 LEU 3 -11.572 -2.859 6.808 21 2HD1 LEU 3 2HD1 LEU 3 -11.207 -3.776 5.326 22 3HD1 LEU 3 3HD1 LEU 3 -9.904 -2.925 6.190 23 1HD2 LEU 3 1HD2 LEU 3 -12.195 -1.154 3.218 24 2HD2 LEU 3 2HD2 LEU 3 -11.075 -2.534 3.120 25 3HD2 LEU 3 3HD2 LEU 3 -12.660 -2.729 3.906 26 H SER 4 H SER 4 -9.576 1.264 4.375 27 HA SER 4 HA SER 4 -8.962 1.831 2.242 28 1HB SER 4 1HB SER 4 -10.252 -0.602 2.151 29 2HB SER 4 2HB SER 4 -11.147 0.337 0.933 30 HG SER 4 HG SER 4 -9.331 -0.631 0.005 31 H GLN 5 H GLN 5 -9.307 3.948 1.822 32 HA GLN 5 HA GLN 5 -11.649 4.687 0.290 33 1HB GLN 5 1HB GLN 5 -12.285 4.727 2.837 34 2HB GLN 5 2HB GLN 5 -11.311 6.216 2.868 35 1HG GLN 5 1HG GLN 5 -12.673 7.109 0.979 36 2HG GLN 5 2HG GLN 5 -13.675 5.643 1.035 37 1HE2 GLN 5 1HE2 GLN 5 -15.504 7.098 1.435 38 2HE2 GLN 5 2HE2 GLN 5 -15.790 7.697 3.055 39 H GLU 6 H GLU 6 -9.818 6.784 2.519 40 HA GLU 6 HA GLU 6 -8.307 7.811 0.164 41 1HB GLU 6 1HB GLU 6 -8.601 10.069 1.015 42 2HB GLU 6 2HB GLU 6 -10.200 9.311 0.829 43 1HG GLU 6 1HG GLU 6 -10.626 9.505 3.033 44 2HG GLU 6 2HG GLU 6 -9.081 8.734 3.453 45 H THR 7 H THR 7 -7.338 5.792 1.871 46 HA THR 7 HA THR 7 -4.890 6.993 2.737 47 HB THR 7 HB THR 7 -7.079 6.686 4.713 48 HG1 THR 7 1HG THR 7 -4.592 8.053 4.587 49 1HG2 THR 7 1HG2 THR 7 -4.799 6.257 6.272 50 2HG2 THR 7 2HG2 THR 7 -6.062 5.056 5.913 51 3HG2 THR 7 3HG2 THR 7 -4.595 5.131 4.908 52 H PHE 8 H PHE 8 -6.483 4.379 4.531 53 HA PHE 8 HA PHE 8 -4.456 2.509 4.167 54 1HB PHE 8 1HB PHE 8 -6.687 0.939 4.354 55 2HB PHE 8 2HB PHE 8 -5.861 1.697 5.726 56 HD1 PHE 8 1HD PHE 8 -7.934 3.413 3.143 57 HD2 PHE 8 2HD PHE 8 -7.667 2.055 7.210 58 HE1 PHE 8 1HE PHE 8 -10.002 4.666 3.698 59 HE2 PHE 8 2HE PHE 8 -9.734 3.308 7.764 60 HZ PHE 8 HZ PHE 8 -10.902 4.614 6.008 61 H SER 9 H SER 9 -6.786 3.661 1.878 62 HA SER 9 HA SER 9 -6.731 1.300 0.183 63 1HB SER 9 1HB SER 9 -8.601 3.041 0.358 64 2HB SER 9 2HB SER 9 -7.546 4.119 -0.587 65 HG SER 9 HG SER 9 -8.285 3.093 -2.247 66 H ASP 10 H ASP 10 -4.790 4.171 0.668 67 HA ASP 10 HA ASP 10 -3.588 4.301 -1.918 68 1HB ASP 10 1HB ASP 10 -3.581 5.969 0.106 69 2HB ASP 10 2HB ASP 10 -2.158 5.043 0.631 70 H LEU 11 H LEU 11 -3.178 2.174 0.832 71 HA LEU 11 HA LEU 11 -0.558 1.223 -0.086 72 1HB LEU 11 1HB LEU 11 -1.503 -0.525 1.864 73 2HB LEU 11 2HB LEU 11 -0.458 0.889 2.143 74 HG LEU 11 HG LEU 11 -2.231 1.354 3.586 75 1HD1 LEU 11 1HD1 LEU 11 -3.173 3.277 2.724 76 2HD1 LEU 11 2HD1 LEU 11 -1.948 2.989 1.465 77 3HD1 LEU 11 3HD1 LEU 11 -3.636 2.493 1.195 78 1HD2 LEU 11 1HD2 LEU 11 -4.555 0.775 3.157 79 2HD2 LEU 11 2HD2 LEU 11 -4.176 0.330 1.476 80 3HD2 LEU 11 3HD2 LEU 11 -3.548 -0.654 2.820 81 H TRP 12 H TRP 12 -2.830 -1.117 1.132 82 HA TRP 12 HA TRP 12 -2.871 -3.260 -0.037 83 1HB TRP 12 1HB TRP 12 -5.141 -1.794 -1.322 84 2HB TRP 12 2HB TRP 12 -5.124 -3.368 -0.516 85 HD1 TRP 12 HD TRP 12 -6.843 -0.427 -0.055 86 HE1 TRP 12 1HE TRP 12 -7.287 0.223 2.367 87 HE3 TRP 12 3HE TRP 12 -3.323 -3.361 2.226 88 HZ2 TRP 12 2HZ TRP 12 -6.246 -0.442 4.984 89 HZ3 TRP 12 3HZ TRP 12 -3.080 -3.326 4.681 90 HH2 TRP 12 HH TRP 12 -4.529 -1.876 6.071 91 H LYS 13 H LYS 13 -2.916 -0.360 -2.106 92 HA LYS 13 HA LYS 13 -3.010 -1.539 -4.628 93 1HB LYS 13 1HB LYS 13 -3.070 0.842 -4.424 94 2HB LYS 13 2HB LYS 13 -1.503 0.879 -3.580 95 1HG LYS 13 1HG LYS 13 -0.305 0.663 -5.519 96 2HG LYS 13 2HG LYS 13 -1.498 -0.436 -6.253 97 1HD LYS 13 1HD LYS 13 -1.690 1.543 -7.538 98 2HD LYS 13 2HD LYS 13 -3.036 1.659 -6.379 99 1HE LYS 13 1HE LYS 13 -0.499 2.756 -5.352 100 2HE LYS 13 2HE LYS 13 -1.099 3.599 -6.797 101 1HZ LYS 13 1HZ LYS 13 -3.030 3.013 -4.749 102 2HZ LYS 13 2HZ LYS 13 -1.901 4.156 -4.378 103 3HZ LYS 13 3HZ LYS 13 -2.866 4.348 -5.702 104 H LEU 14 H LEU 14 -0.731 -2.084 -2.168 105 HA LEU 14 HA LEU 14 1.535 -2.600 -3.941 106 1HB LEU 14 1HB LEU 14 2.464 -3.564 -1.730 107 2HB LEU 14 2HB LEU 14 2.134 -1.816 -1.792 108 HG LEU 14 HG LEU 14 1.255 -3.279 0.242 109 1HD1 LEU 14 1HD1 LEU 14 -0.957 -1.766 0.020 110 2HD1 LEU 14 2HD1 LEU 14 0.637 -1.057 0.373 111 3HD1 LEU 14 3HD1 LEU 14 -0.002 -1.026 -1.288 112 1HD2 LEU 14 1HD2 LEU 14 -0.659 -4.515 -0.093 113 2HD2 LEU 14 2HD2 LEU 14 -1.225 -3.474 -1.422 114 3HD2 LEU 14 3HD2 LEU 14 0.042 -4.688 -1.720 115 H LEU 15 H LEU 15 -1.100 -4.371 -2.368 116 HA LEU 15 HA LEU 15 0.061 -6.969 -3.074 117 1HB LEU 15 1HB LEU 15 -2.431 -6.008 -1.658 118 2HB LEU 15 2HB LEU 15 -2.283 -7.699 -2.193 119 HG LEU 15 HG LEU 15 -1.204 -6.527 0.161 120 1HD1 LEU 15 1HD1 LEU 15 -1.972 -8.949 -0.556 121 2HD1 LEU 15 2HD1 LEU 15 -0.255 -9.158 -0.976 122 3HD1 LEU 15 3HD1 LEU 15 -0.720 -8.753 0.694 123 1HD2 LEU 15 1HD2 LEU 15 0.892 -5.902 -0.395 124 2HD2 LEU 15 2HD2 LEU 15 1.232 -7.608 -0.771 125 3HD2 LEU 15 3HD2 LEU 15 0.686 -6.505 -2.057 126 H LYS 16 H LYS 16 -1.393 -4.548 -4.797 127 HA LYS 16 HA LYS 16 -2.896 -6.444 -6.531 128 1HB LYS 16 1HB LYS 16 -3.033 -3.464 -6.855 129 2HB LYS 16 2HB LYS 16 -4.291 -4.697 -7.112 130 1HG LYS 16 1HG LYS 16 -3.339 -3.449 -4.530 131 2HG LYS 16 2HG LYS 16 -5.002 -3.684 -5.120 132 1HD LYS 16 1HD LYS 16 -3.915 -6.276 -4.988 133 2HD LYS 16 2HD LYS 16 -3.337 -5.466 -3.513 134 1HE LYS 16 1HE LYS 16 -5.524 -6.531 -3.121 135 2HE LYS 16 2HE LYS 16 -5.650 -4.763 -2.993 136 1HZ LYS 16 1HZ LYS 16 -6.718 -4.644 -4.993 137 2HZ LYS 16 2HZ LYS 16 -6.206 -6.124 -5.510 138 3HZ LYS 16 3HZ LYS 16 -7.363 -6.014 -4.340 139 H LYS 17 H LYS 17 -0.780 -3.522 -6.746 140 HA LYS 17 HA LYS 17 -0.057 -4.166 -9.486 141 1HB LYS 17 1HB LYS 17 1.107 -2.125 -9.452 142 2HB LYS 17 2HB LYS 17 -0.246 -1.840 -8.331 143 1HG LYS 17 1HG LYS 17 1.309 -2.573 -6.449 144 2HG LYS 17 2HG LYS 17 2.636 -2.524 -7.634 145 1HD LYS 17 1HD LYS 17 1.218 -0.308 -6.293 146 2HD LYS 17 2HD LYS 17 2.826 -0.335 -7.055 147 1HE LYS 17 1HE LYS 17 1.635 -0.332 -9.305 148 2HE LYS 17 2HE LYS 17 0.127 -0.014 -8.419 149 1HZ LYS 17 1HZ LYS 17 0.910 2.043 -8.993 150 2HZ LYS 17 2HZ LYS 17 1.417 1.895 -7.431 151 3HZ LYS 17 3HZ LYS 17 2.486 1.683 -8.669 152 H TRP 18 H TRP 18 0.893 -5.297 -6.425 153 HA TRP 18 HA TRP 18 3.132 -5.912 -5.724 154 1HB TRP 18 1HB TRP 18 1.745 -7.842 -7.578 155 2HB TRP 18 2HB TRP 18 3.283 -8.270 -6.814 156 HD1 TRP 18 HD TRP 18 3.004 -7.447 -3.932 157 HE1 TRP 18 1HE TRP 18 1.277 -8.433 -2.340 158 HE3 TRP 18 3HE TRP 18 -0.403 -9.116 -7.368 159 HZ2 TRP 18 2HZ TRP 18 -1.275 -9.785 -2.524 160 HZ3 TRP 18 3HZ TRP 18 -2.466 -10.246 -6.623 161 HH2 TRP 18 HH TRP 18 -2.916 -10.588 -4.211 162 H LYS 19 H LYS 19 2.659 -6.135 -9.284 163 HA LYS 19 HA LYS 19 5.454 -6.427 -9.856 164 1HB LYS 19 1HB LYS 19 3.054 -5.564 -11.508 165 2HB LYS 19 2HB LYS 19 4.688 -5.767 -12.185 166 1HG LYS 19 1HG LYS 19 4.090 -8.074 -10.581 167 2HG LYS 19 2HG LYS 19 2.713 -7.785 -11.672 168 1HD LYS 19 1HD LYS 19 4.341 -7.594 -13.580 169 2HD LYS 19 2HD LYS 19 5.645 -8.050 -12.459 170 1HE LYS 19 1HE LYS 19 4.931 -10.233 -12.294 171 2HE LYS 19 2HE LYS 19 3.221 -9.803 -12.521 172 1HZ LYS 19 1HZ LYS 19 3.401 -10.095 -14.676 173 2HZ LYS 19 2HZ LYS 19 4.831 -9.282 -14.798 174 3HZ LYS 19 3HZ LYS 19 4.822 -10.877 -14.375 175 H MET 20 H MET 20 3.834 -3.888 -8.462 176 HA MET 20 HA MET 20 5.881 -1.978 -9.451 177 1HB MET 20 1HB MET 20 2.896 -1.729 -9.523 178 2HB MET 20 2HB MET 20 3.842 -0.283 -9.098 179 1HG MET 20 1HG MET 20 4.512 -2.005 -11.496 180 2HG MET 20 2HG MET 20 3.332 -0.688 -11.594 181 1HE MET 20 1HE MET 20 7.723 -0.743 -11.932 182 2HE MET 20 2HE MET 20 7.410 -0.863 -10.184 183 3HE MET 20 3HE MET 20 6.641 -2.010 -11.306 184 H ARG 21 H ARG 21 6.329 -0.236 -7.940 185 HA ARG 21 HA ARG 21 6.848 0.496 -5.834 186 1HB ARG 21 1HB ARG 21 4.156 0.572 -6.039 187 2HB ARG 21 2HB ARG 21 4.308 -0.571 -4.683 188 1HG ARG 21 1HG ARG 21 5.536 0.997 -3.366 189 2HG ARG 21 2HG ARG 21 5.828 2.059 -4.765 190 1HD ARG 21 1HD ARG 21 2.990 1.648 -4.480 191 2HD ARG 21 2HD ARG 21 3.656 2.140 -2.908 192 HE ARG 21 HE ARG 21 4.636 3.760 -5.112 193 1HH1 ARG 21 2HH2 ARG 21 1.995 3.247 -2.817 194 2HH1 ARG 21 1HH2 ARG 21 1.452 4.909 -2.861 195 1HH2 ARG 21 2HH1 ARG 21 3.917 5.956 -5.169 196 2HH2 ARG 21 1HH1 ARG 21 2.548 6.453 -4.202 197 H ARG 22 H ARG 22 7.171 -2.476 -6.687 198 HA ARG 22 HA ARG 22 7.161 -3.807 -4.066 199 1HB ARG 22 1HB ARG 22 8.372 -5.541 -5.797 200 2HB ARG 22 2HB ARG 22 6.612 -5.432 -5.559 201 1HG ARG 22 1HG ARG 22 7.101 -5.328 -7.951 202 2HG ARG 22 2HG ARG 22 6.517 -3.737 -7.407 203 1HD ARG 22 1HD ARG 22 9.419 -4.013 -7.111 204 2HD ARG 22 2HD ARG 22 8.895 -4.250 -8.792 205 HE ARG 22 HE ARG 22 7.553 -2.019 -8.235 206 1HH1 ARG 22 2HH2 ARG 22 10.850 -2.948 -7.360 207 2HH1 ARG 22 1HH2 ARG 22 11.454 -1.306 -7.343 208 1HH2 ARG 22 2HH1 ARG 22 8.351 0.150 -8.212 209 2HH2 ARG 22 1HH1 ARG 22 10.029 0.460 -7.829 210 H ASN 23 H ASN 23 8.726 -1.944 -3.397 211 HA ASN 23 HA ASN 23 11.508 -2.658 -4.166 212 1HB ASN 23 1HB ASN 23 10.975 -0.331 -4.534 213 2HB ASN 23 2HB ASN 23 10.288 -0.179 -2.902 214 1HD2 ASN 23 1HD2 ASN 23 13.320 -0.895 -4.689 215 2HD2 ASN 23 2HD2 ASN 23 14.402 -0.285 -3.454 216 H GLN 24 H GLN 24 10.959 -0.861 -1.257 217 HA GLN 24 HA GLN 24 11.315 -3.312 0.387 218 1HB GLN 24 1HB GLN 24 13.212 -1.119 -0.058 219 2HB GLN 24 2HB GLN 24 12.822 -1.349 1.664 220 1HG GLN 24 1HG GLN 24 13.287 -3.832 0.083 221 2HG GLN 24 2HG GLN 24 14.709 -2.799 0.344 222 1HE2 GLN 24 1HE2 GLN 24 11.906 -4.210 2.126 223 2HE2 GLN 24 2HE2 GLN 24 12.787 -4.528 3.605 224 H PHE 25 H PHE 25 11.570 0.073 1.427 225 HA PHE 25 HA PHE 25 9.306 -0.356 3.238 226 1HB PHE 25 1HB PHE 25 11.235 0.720 4.153 227 2HB PHE 25 2HB PHE 25 11.308 1.878 2.814 228 HD1 PHE 25 1HD PHE 25 9.062 3.316 2.511 229 HD2 PHE 25 2HD PHE 25 10.351 1.452 6.161 230 HE1 PHE 25 1HE PHE 25 7.682 4.912 3.814 231 HE2 PHE 25 2HE PHE 25 8.971 3.049 7.463 232 HZ PHE 25 HZ PHE 25 7.636 4.779 6.290 233 H TRP 26 H TRP 26 9.859 0.872 0.077 234 HA TRP 26 HA TRP 26 8.008 3.001 -0.045 235 1HB TRP 26 1HB TRP 26 8.389 1.037 -2.292 236 2HB TRP 26 2HB TRP 26 8.183 2.793 -2.364 237 HD1 TRP 26 HD TRP 26 10.517 1.416 -3.909 238 HE1 TRP 26 1HE TRP 26 12.952 1.957 -3.397 239 HE3 TRP 26 3HE TRP 26 9.960 3.210 0.852 240 HZ2 TRP 26 2HZ TRP 26 14.484 3.037 -1.191 241 HZ3 TRP 26 3HZ TRP 26 11.927 3.984 2.125 242 HH2 TRP 26 HH TRP 26 14.190 3.904 1.121 243 H VAL 27 H VAL 27 7.531 -0.376 0.464 244 HA VAL 27 HA VAL 27 4.995 -0.736 -0.757 245 HB VAL 27 HB VAL 27 6.597 -2.480 0.243 246 1HG1 VAL 27 1HG1 VAL 27 5.226 -2.609 2.774 247 2HG1 VAL 27 2HG1 VAL 27 6.970 -2.439 2.464 248 3HG1 VAL 27 3HG1 VAL 27 5.944 -0.990 2.594 249 1HG2 VAL 27 1HG2 VAL 27 4.332 -3.609 1.338 250 2HG2 VAL 27 2HG2 VAL 27 3.639 -2.348 0.290 251 3HG2 VAL 27 3HG2 VAL 27 4.714 -3.587 -0.401 252 H LYS 28 H LYS 28 3.814 -1.701 1.930 253 HA LYS 28 HA LYS 28 2.466 0.863 2.512 254 1HB LYS 28 1HB LYS 28 1.123 -1.160 1.976 255 2HB LYS 28 2HB LYS 28 1.823 -1.979 3.393 256 1HG LYS 28 1HG LYS 28 0.956 0.453 4.433 257 2HG LYS 28 2HG LYS 28 -0.312 0.044 3.254 258 1HD LYS 28 1HD LYS 28 -1.138 -1.519 4.651 259 2HD LYS 28 2HD LYS 28 0.439 -2.344 4.689 260 1HE LYS 28 1HE LYS 28 1.060 -0.332 6.322 261 2HE LYS 28 2HE LYS 28 -0.699 -0.292 6.570 262 1HZ LYS 28 1HZ LYS 28 0.647 -2.849 6.709 263 2HZ LYS 28 2HZ LYS 28 0.837 -1.808 7.974 264 3HZ LYS 28 3HZ LYS 28 -0.673 -2.303 7.533 265 H VAL 29 H VAL 29 5.174 0.611 3.400 266 HA VAL 29 HA VAL 29 4.896 0.112 6.310 267 HB VAL 29 HB VAL 29 7.364 0.638 4.608 268 1HG1 VAL 29 1HG1 VAL 29 7.923 1.217 6.826 269 2HG1 VAL 29 2HG1 VAL 29 6.867 -0.037 7.518 270 3HG1 VAL 29 3HG1 VAL 29 8.392 -0.497 6.724 271 1HG2 VAL 29 1HG2 VAL 29 7.040 -2.016 5.806 272 2HG2 VAL 29 2HG2 VAL 29 5.723 -1.633 4.672 273 3HG2 VAL 29 3HG2 VAL 29 7.415 -1.571 4.124 274 H GLN 30 H GLN 30 3.696 2.442 4.876 275 HA GLN 30 HA GLN 30 5.376 4.675 5.836 276 1HB GLN 30 1HB GLN 30 3.638 4.284 3.644 277 2HB GLN 30 2HB GLN 30 2.805 5.430 4.721 278 1HG GLN 30 1HG GLN 30 4.356 7.067 4.388 279 2HG GLN 30 2HG GLN 30 5.711 5.918 4.383 280 1HE2 GLN 30 1HE2 GLN 30 6.413 7.386 2.555 281 2HE2 GLN 30 2HE2 GLN 30 5.838 7.000 0.947 282 H ARG 31 H ARG 31 2.081 3.287 6.240 283 HA ARG 31 HA ARG 31 0.609 3.416 7.987 284 1HB ARG 31 1HB ARG 31 3.219 3.369 9.157 285 2HB ARG 31 2HB ARG 31 2.230 4.528 10.077 286 1HG ARG 31 1HG ARG 31 0.713 2.912 10.750 287 2HG ARG 31 2HG ARG 31 0.982 1.906 9.306 288 1HD ARG 31 1HD ARG 31 2.062 0.657 10.958 289 2HD ARG 31 2HD ARG 31 3.402 1.617 10.296 290 HE ARG 31 HE ARG 31 3.626 2.624 12.353 291 1HH1 ARG 31 2HH2 ARG 31 0.356 1.320 12.018 292 2HH1 ARG 31 1HH2 ARG 31 -0.123 1.733 13.649 293 1HH2 ARG 31 2HH1 ARG 31 2.992 3.169 14.508 294 2HH2 ARG 31 1HH1 ARG 31 1.380 2.787 15.069 295 H GLY 32 H GLY 32 2.762 6.105 9.005 296 1HA GLY 32 1HA GLY 32 2.101 8.387 8.119 297 2HA GLY 32 2HA GLY 32 0.445 7.938 8.585 Start of MODEL 17 1 HA PRO 1 HA PRO 1 -5.844 13.025 2.264 2 1HB PRO 1 1HB PRO 1 -5.193 10.380 2.338 3 2HB PRO 1 2HB PRO 1 -4.612 11.532 3.584 4 1HG PRO 1 1HG PRO 1 -7.037 9.720 3.746 5 2HG PRO 1 2HG PRO 1 -5.708 9.869 4.942 6 1HD PRO 1 1HD PRO 1 -8.040 11.249 5.230 7 2HD PRO 1 2HD PRO 1 -6.474 12.021 5.624 8 HA PRO 2 HA PRO 2 -8.959 11.823 -0.684 9 1HB PRO 2 1HB PRO 2 -7.607 12.524 -2.943 10 2HB PRO 2 2HB PRO 2 -8.214 13.752 -1.785 11 1HG PRO 2 1HG PRO 2 -5.427 12.566 -1.913 12 2HG PRO 2 2HG PRO 2 -5.870 14.304 -1.887 13 1HD PRO 2 1HD PRO 2 -5.181 12.977 0.393 14 2HD PRO 2 2HD PRO 2 -6.513 14.172 0.406 15 H LEU 3 H LEU 3 -9.187 10.210 -2.400 16 HA LEU 3 HA LEU 3 -8.781 8.177 -3.373 17 1HB LEU 3 1HB LEU 3 -5.885 8.857 -2.728 18 2HB LEU 3 2HB LEU 3 -6.414 7.506 -3.759 19 HG LEU 3 HG LEU 3 -7.628 10.108 -4.470 20 1HD1 LEU 3 1HD1 LEU 3 -5.066 10.212 -5.680 21 2HD1 LEU 3 2HD1 LEU 3 -5.744 11.346 -4.487 22 3HD1 LEU 3 3HD1 LEU 3 -4.777 9.954 -3.942 23 1HD2 LEU 3 1HD2 LEU 3 -6.532 9.218 -6.722 24 2HD2 LEU 3 2HD2 LEU 3 -6.372 7.710 -5.791 25 3HD2 LEU 3 3HD2 LEU 3 -7.979 8.432 -6.047 26 H SER 4 H SER 4 -9.276 6.251 -2.500 27 HA SER 4 HA SER 4 -9.368 4.512 -1.014 28 1HB SER 4 1HB SER 4 -7.216 3.857 -0.836 29 2HB SER 4 2HB SER 4 -6.625 5.535 -0.796 30 HG SER 4 HG SER 4 -6.486 4.058 1.179 31 H GLN 5 H GLN 5 -11.113 4.870 0.259 32 HA GLN 5 HA GLN 5 -10.678 5.907 2.924 33 1HB GLN 5 1HB GLN 5 -11.641 7.690 0.821 34 2HB GLN 5 2HB GLN 5 -12.833 7.515 2.131 35 1HG GLN 5 1HG GLN 5 -10.084 7.761 3.134 36 2HG GLN 5 2HG GLN 5 -10.580 9.165 2.163 37 1HE2 GLN 5 1HE2 GLN 5 -10.159 8.656 5.177 38 2HE2 GLN 5 2HE2 GLN 5 -11.624 9.272 5.913 39 H GLU 6 H GLU 6 -13.734 6.258 1.167 40 HA GLU 6 HA GLU 6 -14.709 3.812 2.569 41 1HB GLU 6 1HB GLU 6 -16.112 6.444 1.972 42 2HB GLU 6 2HB GLU 6 -16.930 4.989 2.591 43 1HG GLU 6 1HG GLU 6 -14.858 5.147 4.343 44 2HG GLU 6 2HG GLU 6 -15.069 6.870 3.966 45 H THR 7 H THR 7 -13.492 3.592 0.062 46 HA THR 7 HA THR 7 -15.614 2.380 -1.440 47 HB THR 7 HB THR 7 -14.777 5.156 -2.117 48 HG1 THR 7 1HG THR 7 -16.870 4.990 -1.792 49 1HG2 THR 7 1HG2 THR 7 -15.582 4.066 -4.578 50 2HG2 THR 7 2HG2 THR 7 -13.945 4.621 -4.150 51 3HG2 THR 7 3HG2 THR 7 -14.386 2.908 -3.948 52 H PHE 8 H PHE 8 -12.964 4.036 -3.076 53 HA PHE 8 HA PHE 8 -11.905 1.766 -4.277 54 1HB PHE 8 1HB PHE 8 -9.702 3.365 -3.977 55 2HB PHE 8 2HB PHE 8 -10.933 3.553 -5.237 56 HD1 PHE 8 1HD PHE 8 -11.336 4.312 -1.609 57 HD2 PHE 8 2HD PHE 8 -10.878 5.894 -5.576 58 HE1 PHE 8 1HE PHE 8 -11.858 6.584 -0.763 59 HE2 PHE 8 2HE PHE 8 -11.400 8.166 -4.730 60 HZ PHE 8 HZ PHE 8 -11.890 8.511 -2.323 61 H SER 9 H SER 9 -11.703 2.762 -0.963 62 HA SER 9 HA SER 9 -9.255 1.324 -0.359 63 1HB SER 9 1HB SER 9 -10.175 3.317 0.914 64 2HB SER 9 2HB SER 9 -11.440 2.236 1.545 65 HG SER 9 HG SER 9 -9.271 2.547 2.704 66 H ASP 10 H ASP 10 -12.691 0.606 -0.574 67 HA ASP 10 HA ASP 10 -12.760 -1.710 1.063 68 1HB ASP 10 1HB ASP 10 -14.650 -0.317 -0.112 69 2HB ASP 10 2HB ASP 10 -14.379 -1.436 -1.465 70 H LEU 11 H LEU 11 -11.448 -1.095 -2.131 71 HA LEU 11 HA LEU 11 -11.296 -3.948 -2.793 72 1HB LEU 11 1HB LEU 11 -9.719 -2.529 -4.599 73 2HB LEU 11 2HB LEU 11 -11.428 -2.973 -4.822 74 HG LEU 11 HG LEU 11 -11.543 -0.666 -5.116 75 1HD1 LEU 11 1HD1 LEU 11 -12.798 0.101 -3.331 76 2HD1 LEU 11 2HD1 LEU 11 -12.734 -1.628 -2.913 77 3HD1 LEU 11 3HD1 LEU 11 -11.628 -0.481 -2.122 78 1HD2 LEU 11 1HD2 LEU 11 -10.127 0.950 -3.972 79 2HD2 LEU 11 2HD2 LEU 11 -9.513 -0.308 -2.873 80 3HD2 LEU 11 3HD2 LEU 11 -9.096 -0.357 -4.602 81 H TRP 12 H TRP 12 -8.572 -2.018 -3.690 82 HA TRP 12 HA TRP 12 -6.375 -2.982 -3.368 83 1HB TRP 12 1HB TRP 12 -6.704 -1.464 -0.810 84 2HB TRP 12 2HB TRP 12 -5.411 -1.384 -2.014 85 HD1 TRP 12 HD TRP 12 -7.578 0.903 -0.666 86 HE1 TRP 12 1HE TRP 12 -8.484 2.657 -2.276 87 HE3 TRP 12 3HE TRP 12 -6.592 -1.476 -5.090 88 HZ2 TRP 12 2HZ TRP 12 -8.753 2.996 -5.137 89 HZ3 TRP 12 3HZ TRP 12 -7.187 -0.408 -7.233 90 HH2 TRP 12 HH TRP 12 -8.265 1.822 -7.275 91 H LYS 13 H LYS 13 -8.638 -3.415 -0.649 92 HA LYS 13 HA LYS 13 -7.012 -4.926 1.063 93 1HB LYS 13 1HB LYS 13 -9.354 -4.038 1.481 94 2HB LYS 13 2HB LYS 13 -9.964 -5.414 0.530 95 1HG LYS 13 1HG LYS 13 -8.130 -6.570 2.306 96 2HG LYS 13 2HG LYS 13 -8.971 -5.345 3.287 97 1HD LYS 13 1HD LYS 13 -11.109 -6.294 2.827 98 2HD LYS 13 2HD LYS 13 -10.472 -7.278 1.488 99 1HE LYS 13 1HE LYS 13 -9.018 -8.472 3.192 100 2HE LYS 13 2HE LYS 13 -9.917 -7.611 4.461 101 1HZ LYS 13 1HZ LYS 13 -11.254 -9.340 4.323 102 2HZ LYS 13 2HZ LYS 13 -11.857 -8.631 2.961 103 3HZ LYS 13 3HZ LYS 13 -10.714 -9.814 2.838 104 H LEU 14 H LEU 14 -7.411 -5.557 -2.109 105 HA LEU 14 HA LEU 14 -7.570 -8.504 -1.762 106 1HB LEU 14 1HB LEU 14 -7.741 -8.368 -4.339 107 2HB LEU 14 2HB LEU 14 -9.136 -7.804 -3.388 108 HG LEU 14 HG LEU 14 -8.209 -6.300 -5.340 109 1HD1 LEU 14 1HD1 LEU 14 -8.583 -4.247 -3.713 110 2HD1 LEU 14 2HD1 LEU 14 -9.927 -5.358 -4.068 111 3HD1 LEU 14 3HD1 LEU 14 -9.022 -5.514 -2.543 112 1HD2 LEU 14 1HD2 LEU 14 -6.485 -5.106 -3.206 113 2HD2 LEU 14 2HD2 LEU 14 -5.862 -6.559 -4.024 114 3HD2 LEU 14 3HD2 LEU 14 -6.273 -5.110 -4.974 115 H LEU 15 H LEU 15 -5.506 -5.810 -2.733 116 HA LEU 15 HA LEU 15 -3.393 -7.726 -3.558 117 1HB LEU 15 1HB LEU 15 -3.711 -4.723 -3.924 118 2HB LEU 15 2HB LEU 15 -2.276 -5.650 -4.424 119 HG LEU 15 HG LEU 15 -4.957 -5.490 -5.667 120 1HD1 LEU 15 1HD1 LEU 15 -3.670 -5.356 -7.530 121 2HD1 LEU 15 2HD1 LEU 15 -2.292 -5.220 -6.413 122 3HD1 LEU 15 3HD1 LEU 15 -2.737 -6.806 -7.088 123 1HD2 LEU 15 1HD2 LEU 15 -4.692 -7.840 -4.466 124 2HD2 LEU 15 2HD2 LEU 15 -5.293 -7.749 -6.139 125 3HD2 LEU 15 3HD2 LEU 15 -3.593 -8.174 -5.825 126 H LYS 16 H LYS 16 -4.511 -6.083 -0.849 127 HA LYS 16 HA LYS 16 -2.573 -4.800 0.466 128 1HB LYS 16 1HB LYS 16 -3.348 -6.977 2.196 129 2HB LYS 16 2HB LYS 16 -3.898 -5.285 2.210 130 1HG LYS 16 1HG LYS 16 -5.845 -6.677 1.863 131 2HG LYS 16 2HG LYS 16 -5.476 -5.881 0.315 132 1HD LYS 16 1HD LYS 16 -5.514 -7.965 -0.580 133 2HD LYS 16 2HD LYS 16 -3.937 -8.195 0.212 134 1HE LYS 16 1HE LYS 16 -6.319 -8.581 1.951 135 2HE LYS 16 2HE LYS 16 -6.114 -9.783 0.658 136 1HZ LYS 16 1HZ LYS 16 -3.991 -9.031 2.534 137 2HZ LYS 16 2HZ LYS 16 -4.999 -10.316 2.759 138 3HZ LYS 16 3HZ LYS 16 -3.984 -10.282 1.460 139 H LYS 17 H LYS 17 -2.623 -8.351 1.003 140 HA LYS 17 HA LYS 17 -0.075 -8.677 1.931 141 1HB LYS 17 1HB LYS 17 -1.420 -10.596 1.902 142 2HB LYS 17 2HB LYS 17 -1.826 -10.406 0.179 143 1HG LYS 17 1HG LYS 17 -0.212 -11.986 -0.139 144 2HG LYS 17 2HG LYS 17 0.912 -10.622 0.067 145 1HD LYS 17 1HD LYS 17 1.770 -12.015 1.691 146 2HD LYS 17 2HD LYS 17 0.509 -11.222 2.665 147 1HE LYS 17 1HE LYS 17 -0.863 -13.076 2.654 148 2HE LYS 17 2HE LYS 17 -0.290 -13.623 1.063 149 1HZ LYS 17 1HZ LYS 17 0.772 -14.151 3.680 150 2HZ LYS 17 2HZ LYS 17 0.760 -15.096 2.328 151 3HZ LYS 17 3HZ LYS 17 1.886 -13.901 2.489 152 H TRP 18 H TRP 18 -1.058 -7.970 -1.385 153 HA TRP 18 HA TRP 18 1.796 -8.171 -2.216 154 1HB TRP 18 1HB TRP 18 0.390 -7.879 -4.525 155 2HB TRP 18 2HB TRP 18 0.854 -9.434 -3.820 156 HD1 TRP 18 HD TRP 18 -2.063 -7.569 -5.022 157 HE1 TRP 18 1HE TRP 18 -4.254 -8.718 -4.414 158 HE3 TRP 18 3HE TRP 18 -0.289 -10.925 -1.588 159 HZ2 TRP 18 2HZ TRP 18 -5.140 -10.836 -2.653 160 HZ3 TRP 18 3HZ TRP 18 -1.834 -12.489 -0.468 161 HH2 TRP 18 HH TRP 18 -4.256 -12.458 -0.987 162 H LYS 19 H LYS 19 -0.709 -6.029 -1.356 163 HA LYS 19 HA LYS 19 0.442 -3.841 -3.004 164 1HB LYS 19 1HB LYS 19 -2.071 -4.352 -2.971 165 2HB LYS 19 2HB LYS 19 -2.064 -3.752 -1.296 166 1HG LYS 19 1HG LYS 19 -0.605 -1.838 -2.766 167 2HG LYS 19 2HG LYS 19 -1.996 -2.251 -3.797 168 1HD LYS 19 1HD LYS 19 -3.048 -0.687 -2.485 169 2HD LYS 19 2HD LYS 19 -3.245 -2.078 -1.392 170 1HE LYS 19 1HE LYS 19 -1.302 -1.450 -0.115 171 2HE LYS 19 2HE LYS 19 -0.843 -0.217 -1.309 172 1HZ LYS 19 1HZ LYS 19 -2.293 1.203 -0.473 173 2HZ LYS 19 2HZ LYS 19 -3.464 0.073 -0.209 174 3HZ LYS 19 3HZ LYS 19 -2.241 0.263 0.881 175 H MET 20 H MET 20 1.024 -5.295 -0.123 176 HA MET 20 HA MET 20 0.990 -3.140 1.741 177 1HB MET 20 1HB MET 20 2.129 -4.606 3.157 178 2HB MET 20 2HB MET 20 1.300 -5.730 2.054 179 1HG MET 20 1HG MET 20 4.107 -4.703 1.551 180 2HG MET 20 2HG MET 20 3.787 -6.167 2.495 181 1HE MET 20 1HE MET 20 4.490 -4.507 -0.537 182 2HE MET 20 2HE MET 20 4.293 -5.665 -1.875 183 3HE MET 20 3HE MET 20 2.911 -4.679 -1.341 184 H ARG 21 H ARG 21 3.292 -2.571 2.808 185 HA ARG 21 HA ARG 21 5.062 -1.128 2.564 186 1HB ARG 21 1HB ARG 21 5.736 -3.578 1.562 187 2HB ARG 21 2HB ARG 21 6.079 -2.538 0.158 188 1HG ARG 21 1HG ARG 21 7.603 -1.188 1.400 189 2HG ARG 21 2HG ARG 21 7.040 -1.845 2.955 190 1HD ARG 21 1HD ARG 21 8.422 -3.628 2.812 191 2HD ARG 21 2HD ARG 21 7.965 -3.942 1.124 192 HE ARG 21 HE ARG 21 9.602 -1.684 1.051 193 1HH1 ARG 21 2HH2 ARG 21 9.834 -5.039 2.142 194 2HH1 ARG 21 1HH2 ARG 21 11.551 -5.165 1.833 195 1HH2 ARG 21 2HH1 ARG 21 11.870 -1.850 0.643 196 2HH2 ARG 21 1HH1 ARG 21 12.712 -3.346 0.978 197 H ARG 22 H ARG 22 2.530 -0.873 0.730 198 HA ARG 22 HA ARG 22 3.725 0.744 -1.442 199 1HB ARG 22 1HB ARG 22 0.951 -0.346 -0.877 200 2HB ARG 22 2HB ARG 22 1.261 0.855 -2.153 201 1HG ARG 22 1HG ARG 22 3.015 -1.584 -2.033 202 2HG ARG 22 2HG ARG 22 1.362 -1.762 -2.671 203 1HD ARG 22 1HD ARG 22 2.464 -1.181 -4.618 204 2HD ARG 22 2HD ARG 22 2.033 0.438 -4.025 205 HE ARG 22 HE ARG 22 4.616 -0.513 -3.065 206 1HH1 ARG 22 2HH2 ARG 22 2.861 1.113 -5.669 207 2HH1 ARG 22 1HH2 ARG 22 4.263 1.978 -6.258 208 1HH2 ARG 22 2HH1 ARG 22 6.467 0.631 -3.844 209 2HH2 ARG 22 1HH1 ARG 22 6.318 1.704 -5.217 210 H ASN 23 H ASN 23 4.446 2.159 0.532 211 HA ASN 23 HA ASN 23 2.239 4.048 1.194 212 1HB ASN 23 1HB ASN 23 3.225 3.033 3.163 213 2HB ASN 23 2HB ASN 23 4.863 3.424 2.595 214 1HD2 ASN 23 1HD2 ASN 23 1.738 4.883 3.589 215 2HD2 ASN 23 2HD2 ASN 23 2.422 6.381 4.184 216 H GLN 24 H GLN 24 5.509 4.997 1.789 217 HA GLN 24 HA GLN 24 5.567 6.577 -0.730 218 1HB GLN 24 1HB GLN 24 5.283 7.536 2.028 219 2HB GLN 24 2HB GLN 24 6.700 8.231 1.204 220 1HG GLN 24 1HG GLN 24 5.391 9.532 -0.087 221 2HG GLN 24 2HG GLN 24 4.418 8.134 -0.594 222 1HE2 GLN 24 1HE2 GLN 24 2.382 9.059 -0.453 223 2HE2 GLN 24 2HE2 GLN 24 1.676 9.610 1.052 224 H PHE 25 H PHE 25 7.707 6.866 2.090 225 HA PHE 25 HA PHE 25 9.974 6.108 0.387 226 1HB PHE 25 1HB PHE 25 10.258 8.057 1.742 227 2HB PHE 25 2HB PHE 25 9.687 7.215 3.192 228 HD1 PHE 25 1HD PHE 25 11.109 5.046 3.828 229 HD2 PHE 25 2HD PHE 25 12.540 8.337 1.468 230 HE1 PHE 25 1HE PHE 25 13.445 4.438 4.397 231 HE2 PHE 25 2HE PHE 25 14.876 7.730 2.038 232 HZ PHE 25 HZ PHE 25 15.328 5.780 3.502 233 H TRP 26 H TRP 26 7.787 4.599 2.543 234 HA TRP 26 HA TRP 26 9.459 2.751 3.875 235 1HB TRP 26 1HB TRP 26 6.713 2.062 2.850 236 2HB TRP 26 2HB TRP 26 7.489 1.586 4.367 237 HD1 TRP 26 HD TRP 26 4.626 2.789 4.418 238 HE1 TRP 26 1HE TRP 26 4.112 4.974 5.622 239 HE3 TRP 26 3HE TRP 26 9.328 4.810 4.463 240 HZ2 TRP 26 2HZ TRP 26 5.558 7.321 6.502 241 HZ3 TRP 26 3HZ TRP 26 9.720 7.019 5.492 242 HH2 TRP 26 HH TRP 26 7.851 8.284 6.512 243 H VAL 27 H VAL 27 8.746 3.119 0.537 244 HA VAL 27 HA VAL 27 8.786 0.434 -0.352 245 HB VAL 27 HB VAL 27 8.484 2.875 -1.524 246 1HG1 VAL 27 1HG1 VAL 27 10.367 3.138 -3.132 247 2HG1 VAL 27 2HG1 VAL 27 10.898 3.358 -1.447 248 3HG1 VAL 27 3HG1 VAL 27 11.243 1.833 -2.298 249 1HG2 VAL 27 1HG2 VAL 27 9.394 0.345 -2.959 250 2HG2 VAL 27 2HG2 VAL 27 7.749 0.611 -2.332 251 3HG2 VAL 27 3HG2 VAL 27 8.385 1.649 -3.631 252 H LYS 28 H LYS 28 11.147 2.161 1.333 253 HA LYS 28 HA LYS 28 13.217 0.229 0.426 254 1HB LYS 28 1HB LYS 28 13.262 3.186 0.344 255 2HB LYS 28 2HB LYS 28 14.681 2.447 1.125 256 1HG LYS 28 1HG LYS 28 15.275 1.243 -0.807 257 2HG LYS 28 2HG LYS 28 13.641 1.363 -1.501 258 1HD LYS 28 1HD LYS 28 14.064 3.922 -1.553 259 2HD LYS 28 2HD LYS 28 15.777 3.508 -1.304 260 1HE LYS 28 1HE LYS 28 15.695 2.035 -3.302 261 2HE LYS 28 2HE LYS 28 13.998 2.496 -3.561 262 1HZ LYS 28 1HZ LYS 28 16.326 4.280 -3.634 263 2HZ LYS 28 2HZ LYS 28 15.409 3.799 -4.918 264 3HZ LYS 28 3HZ LYS 28 14.759 4.778 -3.760 265 H VAL 29 H VAL 29 11.902 -0.626 2.474 266 HA VAL 29 HA VAL 29 13.027 0.510 4.959 267 HB VAL 29 HB VAL 29 10.939 -1.639 4.425 268 1HG1 VAL 29 1HG1 VAL 29 11.646 -2.302 6.510 269 2HG1 VAL 29 2HG1 VAL 29 12.368 -0.719 6.884 270 3HG1 VAL 29 3HG1 VAL 29 10.609 -0.949 7.022 271 1HG2 VAL 29 1HG2 VAL 29 10.211 0.790 5.917 272 2HG2 VAL 29 2HG2 VAL 29 10.767 1.138 4.263 273 3HG2 VAL 29 3HG2 VAL 29 9.403 0.026 4.527 274 H GLN 30 H GLN 30 14.679 -0.920 2.914 275 HA GLN 30 HA GLN 30 15.920 -2.807 4.790 276 1HB GLN 30 1HB GLN 30 14.224 -4.114 3.439 277 2HB GLN 30 2HB GLN 30 15.154 -3.688 1.983 278 1HG GLN 30 1HG GLN 30 16.593 -4.876 4.346 279 2HG GLN 30 2HG GLN 30 15.646 -5.945 3.289 280 1HE2 GLN 30 1HE2 GLN 30 18.495 -6.081 3.606 281 2HE2 GLN 30 2HE2 GLN 30 19.225 -5.678 2.067 282 H ARG 31 H ARG 31 18.115 -3.350 4.167 283 HA ARG 31 HA ARG 31 19.714 -1.295 3.387 284 1HB ARG 31 1HB ARG 31 19.973 -4.122 3.723 285 2HB ARG 31 2HB ARG 31 20.821 -3.675 2.223 286 1HG ARG 31 1HG ARG 31 22.445 -2.560 3.349 287 2HG ARG 31 2HG ARG 31 21.269 -1.766 4.424 288 1HD ARG 31 1HD ARG 31 21.232 -3.583 5.927 289 2HD ARG 31 2HD ARG 31 21.913 -4.706 4.730 290 HE ARG 31 HE ARG 31 23.375 -2.881 6.477 291 1HH1 ARG 31 2HH2 ARG 31 23.404 -4.753 3.477 292 2HH1 ARG 31 1HH2 ARG 31 25.148 -4.860 3.400 293 1HH2 ARG 31 2HH1 ARG 31 25.679 -3.022 6.375 294 2HH2 ARG 31 1HH1 ARG 31 26.445 -3.873 5.052 295 H GLY 32 H GLY 32 19.622 0.015 1.659 296 1HA GLY 32 1HA GLY 32 18.621 -1.057 -0.903 297 2HA GLY 32 2HA GLY 32 18.884 0.652 -0.488 Start of MODEL 18 1 HA PRO 1 HA PRO 1 -16.769 13.770 -3.305 2 1HB PRO 1 1HB PRO 1 -17.041 11.179 -4.104 3 2HB PRO 1 2HB PRO 1 -17.973 12.507 -4.869 4 1HG PRO 1 1HG PRO 1 -15.373 11.288 -5.842 5 2HG PRO 1 2HG PRO 1 -16.884 11.520 -6.780 6 1HD PRO 1 1HD PRO 1 -14.848 13.329 -6.894 7 2HD PRO 1 2HD PRO 1 -16.551 13.880 -6.859 8 HA PRO 2 HA PRO 2 -13.615 11.848 -0.907 9 1HB PRO 2 1HB PRO 2 -14.896 9.951 0.570 10 2HB PRO 2 2HB PRO 2 -15.268 11.696 0.746 11 1HG PRO 2 1HG PRO 2 -16.741 9.665 -0.956 12 2HG PRO 2 2HG PRO 2 -17.446 10.787 0.254 13 1HD PRO 2 1HD PRO 2 -17.402 11.404 -2.401 14 2HD PRO 2 2HD PRO 2 -17.073 12.662 -1.172 15 H LEU 3 H LEU 3 -13.228 9.222 -0.068 16 HA LEU 3 HA LEU 3 -13.550 7.265 -2.106 17 1HB LEU 3 1HB LEU 3 -12.030 8.753 -3.369 18 2HB LEU 3 2HB LEU 3 -10.841 8.653 -2.048 19 HG LEU 3 HG LEU 3 -11.193 6.027 -2.421 20 1HD1 LEU 3 1HD1 LEU 3 -11.784 5.398 -4.609 21 2HD1 LEU 3 2HD1 LEU 3 -12.941 6.703 -4.255 22 3HD1 LEU 3 3HD1 LEU 3 -11.507 7.033 -5.256 23 1HD2 LEU 3 1HD2 LEU 3 -9.317 8.028 -3.280 24 2HD2 LEU 3 2HD2 LEU 3 -9.021 6.305 -2.948 25 3HD2 LEU 3 3HD2 LEU 3 -9.489 6.828 -4.584 26 H SER 4 H SER 4 -13.280 5.335 -1.133 27 HA SER 4 HA SER 4 -12.557 3.750 0.358 28 1HB SER 4 1HB SER 4 -10.304 3.873 0.277 29 2HB SER 4 2HB SER 4 -10.323 5.651 0.209 30 HG SER 4 HG SER 4 -10.263 3.935 2.421 31 H GLN 5 H GLN 5 -14.015 3.460 1.938 32 HA GLN 5 HA GLN 5 -13.728 4.882 4.438 33 1HB GLN 5 1HB GLN 5 -15.091 6.410 2.797 34 2HB GLN 5 2HB GLN 5 -16.410 5.256 3.109 35 1HG GLN 5 1HG GLN 5 -15.512 5.670 5.648 36 2HG GLN 5 2HG GLN 5 -15.144 7.250 4.922 37 1HE2 GLN 5 1HE2 GLN 5 -17.151 7.717 3.163 38 2HE2 GLN 5 2HE2 GLN 5 -18.704 7.753 3.972 39 H GLU 6 H GLU 6 -16.774 3.664 3.039 40 HA GLU 6 HA GLU 6 -16.466 1.235 4.742 41 1HB GLU 6 1HB GLU 6 -18.976 2.882 4.236 42 2HB GLU 6 2HB GLU 6 -18.889 1.380 5.187 43 1HG GLU 6 1HG GLU 6 -17.232 2.478 6.700 44 2HG GLU 6 2HG GLU 6 -17.430 3.987 5.783 45 H THR 7 H THR 7 -15.624 1.313 2.063 46 HA THR 7 HA THR 7 -17.092 -0.866 0.979 47 HB THR 7 HB THR 7 -17.952 1.868 0.194 48 HG1 THR 7 1HG THR 7 -19.258 0.201 1.152 49 1HG2 THR 7 1HG2 THR 7 -16.775 -0.006 -1.727 50 2HG2 THR 7 2HG2 THR 7 -18.481 0.342 -2.096 51 3HG2 THR 7 3HG2 THR 7 -17.309 1.675 -1.966 52 H PHE 8 H PHE 8 -15.985 1.769 -1.106 53 HA PHE 8 HA PHE 8 -14.198 0.268 -2.589 54 1HB PHE 8 1HB PHE 8 -13.008 2.719 -2.618 55 2HB PHE 8 2HB PHE 8 -14.427 2.279 -3.583 56 HD1 PHE 8 1HD PHE 8 -14.344 2.853 0.099 57 HD2 PHE 8 2HD PHE 8 -15.525 4.370 -3.742 58 HE1 PHE 8 1HE PHE 8 -15.656 4.640 1.209 59 HE2 PHE 8 2HE PHE 8 -16.837 6.158 -2.632 60 HZ PHE 8 HZ PHE 8 -16.902 6.293 -0.156 61 H SER 9 H SER 9 -13.911 1.245 0.703 62 HA SER 9 HA SER 9 -11.002 1.223 0.777 63 1HB SER 9 1HB SER 9 -12.359 2.580 2.339 64 2HB SER 9 2HB SER 9 -13.073 1.091 3.004 65 HG SER 9 HG SER 9 -11.350 0.836 4.149 66 H ASP 10 H ASP 10 -13.670 -1.058 1.268 67 HA ASP 10 HA ASP 10 -12.288 -3.084 2.654 68 1HB ASP 10 1HB ASP 10 -14.130 -4.120 0.649 69 2HB ASP 10 2HB ASP 10 -14.260 -4.133 2.422 70 H LEU 11 H LEU 11 -12.170 -2.053 -0.714 71 HA LEU 11 HA LEU 11 -10.800 -4.477 -1.596 72 1HB LEU 11 1HB LEU 11 -10.443 -2.550 -3.553 73 2HB LEU 11 2HB LEU 11 -11.804 -3.694 -3.464 74 HG LEU 11 HG LEU 11 -12.936 -1.656 -3.570 75 1HD1 LEU 11 1HD1 LEU 11 -14.023 -1.494 -1.534 76 2HD1 LEU 11 2HD1 LEU 11 -13.152 -3.024 -1.273 77 3HD1 LEU 11 3HD1 LEU 11 -12.506 -1.507 -0.603 78 1HD2 LEU 11 1HD2 LEU 11 -10.777 -0.335 -3.459 79 2HD2 LEU 11 2HD2 LEU 11 -12.146 0.422 -2.609 80 3HD2 LEU 11 3HD2 LEU 11 -10.884 -0.427 -1.685 81 H TRP 12 H TRP 12 -9.523 -1.489 -2.791 82 HA TRP 12 HA TRP 12 -7.109 -1.315 -2.951 83 1HB TRP 12 1HB TRP 12 -7.636 -0.079 -0.272 84 2HB TRP 12 2HB TRP 12 -6.740 0.565 -1.655 85 HD1 TRP 12 HD TRP 12 -9.472 1.601 0.154 86 HE1 TRP 12 1HE TRP 12 -11.322 2.725 -1.187 87 HE3 TRP 12 3HE TRP 12 -8.216 -0.075 -4.516 88 HZ2 TRP 12 2HZ TRP 12 -12.165 2.884 -3.951 89 HZ3 TRP 12 3HZ TRP 12 -9.564 0.582 -6.475 90 HH2 TRP 12 HH TRP 12 -11.537 2.057 -6.211 91 H LYS 13 H LYS 13 -8.332 -2.671 0.116 92 HA LYS 13 HA LYS 13 -5.936 -3.207 1.423 93 1HB LYS 13 1HB LYS 13 -8.396 -3.634 2.124 94 2HB LYS 13 2HB LYS 13 -8.205 -5.206 1.311 95 1HG LYS 13 1HG LYS 13 -5.882 -5.019 2.813 96 2HG LYS 13 2HG LYS 13 -7.091 -4.259 3.875 97 1HD LYS 13 1HD LYS 13 -7.055 -6.654 4.324 98 2HD LYS 13 2HD LYS 13 -8.582 -6.251 3.504 99 1HE LYS 13 1HE LYS 13 -6.788 -6.751 1.412 100 2HE LYS 13 2HE LYS 13 -6.390 -7.985 2.627 101 1HZ LYS 13 1HZ LYS 13 -8.340 -8.969 2.348 102 2HZ LYS 13 2HZ LYS 13 -9.183 -7.568 2.137 103 3HZ LYS 13 3HZ LYS 13 -8.338 -8.219 0.879 104 H LEU 14 H LEU 14 -6.820 -4.218 -1.673 105 HA LEU 14 HA LEU 14 -5.365 -6.773 -1.549 106 1HB LEU 14 1HB LEU 14 -5.968 -6.783 -4.028 107 2HB LEU 14 2HB LEU 14 -7.341 -6.798 -2.895 108 HG LEU 14 HG LEU 14 -7.591 -5.155 -4.803 109 1HD1 LEU 14 1HD1 LEU 14 -7.480 -3.293 -2.560 110 2HD1 LEU 14 2HD1 LEU 14 -8.899 -3.975 -3.390 111 3HD1 LEU 14 3HD1 LEU 14 -8.138 -4.867 -2.051 112 1HD2 LEU 14 1HD2 LEU 14 -5.790 -3.209 -3.502 113 2HD2 LEU 14 2HD2 LEU 14 -4.938 -4.583 -4.246 114 3HD2 LEU 14 3HD2 LEU 14 -6.021 -3.570 -5.230 115 H LEU 15 H LEU 15 -5.048 -3.466 -2.861 116 HA LEU 15 HA LEU 15 -2.535 -4.066 -4.194 117 1HB LEU 15 1HB LEU 15 -3.092 -2.173 -5.260 118 2HB LEU 15 2HB LEU 15 -4.482 -1.966 -4.167 119 HG LEU 15 HG LEU 15 -2.824 -0.986 -2.474 120 1HD1 LEU 15 1HD1 LEU 15 -0.848 -1.967 -3.848 121 2HD1 LEU 15 2HD1 LEU 15 -1.078 -0.562 -4.916 122 3HD1 LEU 15 3HD1 LEU 15 -0.671 -0.318 -3.201 123 1HD2 LEU 15 1HD2 LEU 15 -4.096 0.708 -3.360 124 2HD2 LEU 15 2HD2 LEU 15 -2.554 1.146 -4.133 125 3HD2 LEU 15 3HD2 LEU 15 -3.771 0.215 -5.039 126 H LYS 16 H LYS 16 -3.504 -3.508 -0.972 127 HA LYS 16 HA LYS 16 -1.631 -1.900 0.202 128 1HB LYS 16 1HB LYS 16 -2.920 -2.793 1.840 129 2HB LYS 16 2HB LYS 16 -3.116 -4.338 0.978 130 1HG LYS 16 1HG LYS 16 -0.439 -3.606 2.172 131 2HG LYS 16 2HG LYS 16 -1.722 -4.272 3.210 132 1HD LYS 16 1HD LYS 16 -0.336 -5.553 0.842 133 2HD LYS 16 2HD LYS 16 -0.562 -6.195 2.486 134 1HE LYS 16 1HE LYS 16 -3.121 -6.013 1.910 135 2HE LYS 16 2HE LYS 16 -2.553 -5.989 0.226 136 1HZ LYS 16 1HZ LYS 16 -1.196 -8.013 1.130 137 2HZ LYS 16 2HZ LYS 16 -2.477 -8.121 2.163 138 3HZ LYS 16 3HZ LYS 16 -2.724 -8.176 0.533 139 H LYS 17 H LYS 17 -1.141 -5.381 -0.618 140 HA LYS 17 HA LYS 17 1.489 -5.647 0.241 141 1HB LYS 17 1HB LYS 17 0.504 -7.623 -0.486 142 2HB LYS 17 2HB LYS 17 -0.148 -6.878 -1.966 143 1HG LYS 17 1HG LYS 17 1.625 -7.821 -3.023 144 2HG LYS 17 2HG LYS 17 2.597 -6.542 -2.257 145 1HD LYS 17 1HD LYS 17 2.618 -8.200 -0.199 146 2HD LYS 17 2HD LYS 17 2.236 -9.423 -1.434 147 1HE LYS 17 1HE LYS 17 4.250 -7.984 -2.653 148 2HE LYS 17 2HE LYS 17 4.746 -7.935 -0.947 149 1HZ LYS 17 1HZ LYS 17 5.489 -9.870 -2.338 150 2HZ LYS 17 2HZ LYS 17 4.836 -10.213 -0.863 151 3HZ LYS 17 3HZ LYS 17 3.942 -10.430 -2.231 152 H TRP 18 H TRP 18 0.206 -3.926 -2.559 153 HA TRP 18 HA TRP 18 2.998 -3.380 -3.443 154 1HB TRP 18 1HB TRP 18 1.456 -2.442 -5.449 155 2HB TRP 18 2HB TRP 18 2.080 -4.095 -5.376 156 HD1 TRP 18 HD TRP 18 -1.017 -2.239 -5.861 157 HE1 TRP 18 1HE TRP 18 -3.080 -3.720 -5.666 158 HE3 TRP 18 3HE TRP 18 1.142 -6.352 -3.712 159 HZ2 TRP 18 2HZ TRP 18 -3.726 -6.369 -4.695 160 HZ3 TRP 18 3HZ TRP 18 -0.227 -8.331 -3.168 161 HH2 TRP 18 HH TRP 18 -2.656 -8.356 -3.651 162 H LYS 19 H LYS 19 0.308 -2.100 -1.784 163 HA LYS 19 HA LYS 19 0.850 0.682 -2.576 164 1HB LYS 19 1HB LYS 19 -1.419 -0.692 -1.762 165 2HB LYS 19 2HB LYS 19 -0.951 0.211 -0.301 166 1HG LYS 19 1HG LYS 19 -0.683 1.830 -2.731 167 2HG LYS 19 2HG LYS 19 -2.345 1.236 -2.503 168 1HD LYS 19 1HD LYS 19 -2.184 2.037 -0.091 169 2HD LYS 19 2HD LYS 19 -0.656 2.832 -0.538 170 1HE LYS 19 1HE LYS 19 -2.108 4.575 -0.954 171 2HE LYS 19 2HE LYS 19 -2.166 3.772 -2.538 172 1HZ LYS 19 1HZ LYS 19 -4.100 3.555 -0.350 173 2HZ LYS 19 2HZ LYS 19 -4.346 4.157 -1.866 174 3HZ LYS 19 3HZ LYS 19 -4.098 2.541 -1.650 175 H MET 20 H MET 20 2.159 -1.594 -0.468 176 HA MET 20 HA MET 20 3.001 0.538 1.438 177 1HB MET 20 1HB MET 20 2.676 -2.466 1.770 178 2HB MET 20 2HB MET 20 3.498 -1.428 2.960 179 1HG MET 20 1HG MET 20 0.644 -1.079 1.971 180 2HG MET 20 2HG MET 20 1.110 -1.797 3.522 181 1HE MET 20 1HE MET 20 0.238 0.897 1.436 182 2HE MET 20 2HE MET 20 -0.763 1.417 2.813 183 3HE MET 20 3HE MET 20 0.574 2.447 2.246 184 H ARG 21 H ARG 21 5.210 0.642 2.029 185 HA ARG 21 HA ARG 21 7.472 0.456 1.714 186 1HB ARG 21 1HB ARG 21 6.675 -2.104 1.711 187 2HB ARG 21 2HB ARG 21 7.210 -1.998 0.016 188 1HG ARG 21 1HG ARG 21 9.401 -1.873 0.601 189 2HG ARG 21 2HG ARG 21 9.072 -0.727 1.922 190 1HD ARG 21 1HD ARG 21 8.541 -2.455 3.447 191 2HD ARG 21 2HD ARG 21 8.306 -3.648 2.151 192 HE ARG 21 HE ARG 21 10.838 -2.830 3.372 193 1HH1 ARG 21 2HH2 ARG 21 9.212 -4.344 0.622 194 2HH1 ARG 21 1HH2 ARG 21 10.616 -5.259 0.121 195 1HH2 ARG 21 2HH1 ARG 21 12.693 -4.038 2.709 196 2HH2 ARG 21 1HH1 ARG 21 12.600 -5.084 1.310 197 H ARG 22 H ARG 22 5.221 1.094 -0.565 198 HA ARG 22 HA ARG 22 6.931 1.079 -2.932 199 1HB ARG 22 1HB ARG 22 5.012 1.854 -4.079 200 2HB ARG 22 2HB ARG 22 4.368 0.765 -2.827 201 1HG ARG 22 1HG ARG 22 4.581 3.798 -2.594 202 2HG ARG 22 2HG ARG 22 3.087 2.891 -2.934 203 1HD ARG 22 1HD ARG 22 2.932 3.140 -0.627 204 2HD ARG 22 2HD ARG 22 3.754 1.569 -0.743 205 HE ARG 22 HE ARG 22 5.623 2.508 0.232 206 1HH1 ARG 22 2HH2 ARG 22 3.520 5.047 -1.045 207 2HH1 ARG 22 1HH2 ARG 22 4.459 6.357 -0.366 208 1HH2 ARG 22 2HH1 ARG 22 6.864 4.239 1.130 209 2HH2 ARG 22 1HH1 ARG 22 6.366 5.896 0.874 210 H ASN 23 H ASN 23 8.589 2.353 -1.517 211 HA ASN 23 HA ASN 23 7.992 5.263 -1.774 212 1HB ASN 23 1HB ASN 23 8.424 4.325 0.540 213 2HB ASN 23 2HB ASN 23 10.069 3.931 -0.003 214 1HD2 ASN 23 1HD2 ASN 23 9.255 6.595 -1.767 215 2HD2 ASN 23 2HD2 ASN 23 9.870 7.859 -0.724 216 H GLN 24 H GLN 24 11.004 3.314 -1.487 217 HA GLN 24 HA GLN 24 11.803 3.815 -4.209 218 1HB GLN 24 1HB GLN 24 12.440 5.805 -2.146 219 2HB GLN 24 2HB GLN 24 13.890 5.155 -2.949 220 1HG GLN 24 1HG GLN 24 12.711 5.565 -5.165 221 2HG GLN 24 2HG GLN 24 11.463 6.442 -4.253 222 1HE2 GLN 24 1HE2 GLN 24 11.771 8.558 -4.761 223 2HE2 GLN 24 2HE2 GLN 24 13.290 9.413 -4.597 224 H PHE 25 H PHE 25 14.101 4.031 -1.538 225 HA PHE 25 HA PHE 25 15.277 1.489 -2.362 226 1HB PHE 25 1HB PHE 25 17.141 2.288 -1.383 227 2HB PHE 25 2HB PHE 25 16.277 3.834 -1.388 228 HD1 PHE 25 1HD PHE 25 14.437 3.811 0.749 229 HD2 PHE 25 2HD PHE 25 18.303 1.945 0.582 230 HE1 PHE 25 1HE PHE 25 14.590 3.907 3.222 231 HE2 PHE 25 2HE PHE 25 18.455 2.041 3.055 232 HZ PHE 25 HZ PHE 25 16.599 3.021 4.376 233 H TRP 26 H TRP 26 13.058 2.673 0.060 234 HA TRP 26 HA TRP 26 13.434 0.871 2.154 235 1HB TRP 26 1HB TRP 26 10.900 2.024 0.958 236 2HB TRP 26 2HB TRP 26 10.947 1.132 2.485 237 HD1 TRP 26 HD TRP 26 11.696 2.389 4.605 238 HE1 TRP 26 1HE TRP 26 12.290 4.801 5.167 239 HE3 TRP 26 3HE TRP 26 12.108 4.248 -0.146 240 HZ2 TRP 26 2HZ TRP 26 12.874 7.249 3.737 241 HZ3 TRP 26 3HZ TRP 26 12.684 6.621 -0.505 242 HH2 TRP 26 HH TRP 26 13.069 8.131 1.420 243 H VAL 27 H VAL 27 12.417 0.274 -1.113 244 HA VAL 27 HA VAL 27 11.030 -2.212 -0.544 245 HB VAL 27 HB VAL 27 11.628 -0.504 -2.847 246 1HG1 VAL 27 1HG1 VAL 27 11.760 -2.259 -4.522 247 2HG1 VAL 27 2HG1 VAL 27 13.084 -2.504 -3.358 248 3HG1 VAL 27 3HG1 VAL 27 11.625 -3.521 -3.274 249 1HG2 VAL 27 1HG2 VAL 27 9.412 -0.874 -3.209 250 2HG2 VAL 27 2HG2 VAL 27 9.586 -2.637 -3.034 251 3HG2 VAL 27 3HG2 VAL 27 9.431 -1.610 -1.588 252 H LYS 28 H LYS 28 14.099 -1.459 0.060 253 HA LYS 28 HA LYS 28 14.997 -4.216 -0.353 254 1HB LYS 28 1HB LYS 28 15.854 -1.977 -2.051 255 2HB LYS 28 2HB LYS 28 17.213 -2.797 -1.245 256 1HG LYS 28 1HG LYS 28 16.599 -4.922 -2.156 257 2HG LYS 28 2HG LYS 28 15.007 -4.320 -2.677 258 1HD LYS 28 1HD LYS 28 16.420 -4.415 -4.637 259 2HD LYS 28 2HD LYS 28 16.227 -2.700 -4.203 260 1HE LYS 28 1HE LYS 28 18.392 -2.769 -2.999 261 2HE LYS 28 2HE LYS 28 18.586 -4.475 -3.454 262 1HZ LYS 28 1HZ LYS 28 18.291 -3.561 -5.798 263 2HZ LYS 28 2HZ LYS 28 18.697 -2.105 -5.137 264 3HZ LYS 28 3HZ LYS 28 19.747 -3.374 -5.045 265 H VAL 29 H VAL 29 14.297 -2.732 1.973 266 HA VAL 29 HA VAL 29 16.978 -2.268 3.193 267 HB VAL 29 HB VAL 29 14.234 -1.168 3.919 268 1HG1 VAL 29 1HG1 VAL 29 16.150 0.215 5.366 269 2HG1 VAL 29 2HG1 VAL 29 15.114 -1.081 6.011 270 3HG1 VAL 29 3HG1 VAL 29 16.754 -1.458 5.431 271 1HG2 VAL 29 1HG2 VAL 29 16.789 0.194 2.962 272 2HG2 VAL 29 2HG2 VAL 29 15.373 -0.147 1.938 273 3HG2 VAL 29 3HG2 VAL 29 15.231 0.984 3.305 274 H GLN 30 H GLN 30 15.568 -4.863 2.733 275 HA GLN 30 HA GLN 30 14.217 -5.914 4.880 276 1HB GLN 30 1HB GLN 30 15.439 -8.063 4.338 277 2HB GLN 30 2HB GLN 30 14.704 -7.250 2.935 278 1HG GLN 30 1HG GLN 30 16.715 -7.045 1.948 279 2HG GLN 30 2HG GLN 30 17.365 -6.208 3.374 280 1HE2 GLN 30 1HE2 GLN 30 17.850 -8.808 1.391 281 2HE2 GLN 30 2HE2 GLN 30 18.660 -9.894 2.500 282 H ARG 31 H ARG 31 14.631 -6.482 6.968 283 HA ARG 31 HA ARG 31 17.293 -6.855 7.990 284 1HB ARG 31 1HB ARG 31 17.253 -4.873 9.527 285 2HB ARG 31 2HB ARG 31 17.428 -4.436 7.810 286 1HG ARG 31 1HG ARG 31 14.974 -4.024 7.687 287 2HG ARG 31 2HG ARG 31 14.839 -4.404 9.421 288 1HD ARG 31 1HD ARG 31 14.977 -1.948 8.975 289 2HD ARG 31 2HD ARG 31 16.309 -2.543 9.989 290 HE ARG 31 HE ARG 31 16.484 -1.547 7.223 291 1HH1 ARG 31 2HH2 ARG 31 18.022 -3.207 9.940 292 2HH1 ARG 31 1HH2 ARG 31 19.651 -2.925 9.367 293 1HH2 ARG 31 2HH1 ARG 31 18.635 -1.175 6.467 294 2HH2 ARG 31 1HH1 ARG 31 20.000 -1.766 7.387 295 H GLY 32 H GLY 32 15.047 -8.472 7.999 296 1HA GLY 32 1HA GLY 32 13.925 -9.816 9.495 297 2HA GLY 32 2HA GLY 32 14.717 -8.936 10.823 Start of MODEL 19 1 HA PRO 1 HA PRO 1 -15.277 9.313 -10.335 2 1HB PRO 1 1HB PRO 1 -17.044 8.097 -8.655 3 2HB PRO 1 2HB PRO 1 -17.591 9.116 -10.026 4 1HG PRO 1 1HG PRO 1 -17.298 6.099 -9.981 5 2HG PRO 1 2HG PRO 1 -18.739 7.045 -10.478 6 1HD PRO 1 1HD PRO 1 -16.937 6.132 -12.308 7 2HD PRO 1 2HD PRO 1 -17.660 7.760 -12.481 8 HA PRO 2 HA PRO 2 -12.515 6.891 -7.907 9 1HB PRO 2 1HB PRO 2 -12.898 7.747 -5.348 10 2HB PRO 2 2HB PRO 2 -12.286 8.842 -6.630 11 1HG PRO 2 1HG PRO 2 -15.153 8.530 -5.693 12 2HG PRO 2 2HG PRO 2 -14.217 10.053 -5.843 13 1HD PRO 2 1HD PRO 2 -15.890 9.210 -7.824 14 2HD PRO 2 2HD PRO 2 -14.311 9.952 -8.224 15 H LEU 3 H LEU 3 -12.362 5.271 -6.075 16 HA LEU 3 HA LEU 3 -14.970 4.022 -5.425 17 1HB LEU 3 1HB LEU 3 -13.361 1.840 -5.907 18 2HB LEU 3 2HB LEU 3 -14.567 2.488 -7.044 19 HG LEU 3 HG LEU 3 -11.910 3.839 -7.053 20 1HD1 LEU 3 1HD1 LEU 3 -11.682 1.184 -6.860 21 2HD1 LEU 3 2HD1 LEU 3 -12.121 1.261 -8.583 22 3HD1 LEU 3 3HD1 LEU 3 -10.676 2.116 -7.994 23 1HD2 LEU 3 1HD2 LEU 3 -13.969 2.892 -9.076 24 2HD2 LEU 3 2HD2 LEU 3 -13.532 4.564 -8.649 25 3HD2 LEU 3 3HD2 LEU 3 -12.390 3.552 -9.565 26 H SER 4 H SER 4 -14.712 4.722 -3.276 27 HA SER 4 HA SER 4 -13.362 2.972 -1.541 28 1HB SER 4 1HB SER 4 -11.518 4.630 -2.767 29 2HB SER 4 2HB SER 4 -11.872 5.497 -1.253 30 HG SER 4 HG SER 4 -10.968 3.948 -0.154 31 H GLN 5 H GLN 5 -15.074 3.069 -0.171 32 HA GLN 5 HA GLN 5 -15.370 5.439 1.464 33 1HB GLN 5 1HB GLN 5 -17.046 5.126 -0.879 34 2HB GLN 5 2HB GLN 5 -18.032 5.019 0.599 35 1HG GLN 5 1HG GLN 5 -15.986 7.129 0.727 36 2HG GLN 5 2HG GLN 5 -17.143 7.367 -0.600 37 1HE2 GLN 5 1HE2 GLN 5 -19.220 8.026 -0.157 38 2HE2 GLN 5 2HE2 GLN 5 -19.835 8.299 1.459 39 H GLU 6 H GLU 6 -18.013 3.212 0.649 40 HA GLU 6 HA GLU 6 -17.526 1.840 3.253 41 1HB GLU 6 1HB GLU 6 -19.923 1.703 3.542 42 2HB GLU 6 2HB GLU 6 -19.504 3.400 3.203 43 1HG GLU 6 1HG GLU 6 -20.767 3.401 1.340 44 2HG GLU 6 2HG GLU 6 -19.939 1.955 0.723 45 H THR 7 H THR 7 -16.298 0.920 0.914 46 HA THR 7 HA THR 7 -17.303 -1.759 0.816 47 HB THR 7 HB THR 7 -18.203 0.170 -1.259 48 HG1 THR 7 1HG THR 7 -19.601 -1.020 0.087 49 1HG2 THR 7 1HG2 THR 7 -16.513 -2.138 -1.900 50 2HG2 THR 7 2HG2 THR 7 -18.130 -2.270 -2.633 51 3HG2 THR 7 3HG2 THR 7 -17.117 -0.845 -2.965 52 H PHE 8 H PHE 8 -16.017 -0.172 -2.069 53 HA PHE 8 HA PHE 8 -13.821 -1.854 -2.359 54 1HB PHE 8 1HB PHE 8 -12.930 0.491 -3.454 55 2HB PHE 8 2HB PHE 8 -14.013 -0.659 -4.256 56 HD1 PHE 8 1HD PHE 8 -14.882 1.594 -1.415 57 HD2 PHE 8 2HD PHE 8 -15.285 0.801 -5.618 58 HE1 PHE 8 1HE PHE 8 -16.627 3.349 -1.579 59 HE2 PHE 8 2HE PHE 8 -17.030 2.556 -5.781 60 HZ PHE 8 HZ PHE 8 -17.701 3.830 -3.762 61 H SER 9 H SER 9 -14.328 0.671 -0.048 62 HA SER 9 HA SER 9 -11.516 1.232 0.416 63 1HB SER 9 1HB SER 9 -14.033 2.340 1.146 64 2HB SER 9 2HB SER 9 -13.212 1.880 2.657 65 HG SER 9 HG SER 9 -11.318 2.949 1.667 66 H ASP 10 H ASP 10 -13.889 -1.121 1.480 67 HA ASP 10 HA ASP 10 -12.660 -1.870 3.939 68 1HB ASP 10 1HB ASP 10 -14.946 -2.541 2.538 69 2HB ASP 10 2HB ASP 10 -13.969 -4.020 2.408 70 H LEU 11 H LEU 11 -11.873 -2.462 0.579 71 HA LEU 11 HA LEU 11 -10.119 -4.727 1.225 72 1HB LEU 11 1HB LEU 11 -9.604 -3.946 -1.389 73 2HB LEU 11 2HB LEU 11 -10.783 -5.180 -0.885 74 HG LEU 11 HG LEU 11 -12.128 -3.750 -2.153 75 1HD1 LEU 11 1HD1 LEU 11 -12.403 -2.114 0.342 76 2HD1 LEU 11 2HD1 LEU 11 -13.651 -2.936 -0.624 77 3HD1 LEU 11 3HD1 LEU 11 -12.629 -3.873 0.493 78 1HD2 LEU 11 1HD2 LEU 11 -10.694 -1.365 -0.911 79 2HD2 LEU 11 2HD2 LEU 11 -10.272 -2.078 -2.486 80 3HD2 LEU 11 3HD2 LEU 11 -11.870 -1.331 -2.247 81 H TRP 12 H TRP 12 -9.013 -2.465 -1.165 82 HA TRP 12 HA TRP 12 -6.653 -1.896 -1.121 83 1HB TRP 12 1HB TRP 12 -7.845 0.320 0.504 84 2HB TRP 12 2HB TRP 12 -6.791 0.401 -0.914 85 HD1 TRP 12 HD TRP 12 -9.927 1.584 -0.159 86 HE1 TRP 12 1HE TRP 12 -11.616 1.530 -2.065 87 HE3 TRP 12 3HE TRP 12 -7.599 -1.808 -3.204 88 HZ2 TRP 12 2HZ TRP 12 -11.929 0.181 -4.606 89 HZ3 TRP 12 3HZ TRP 12 -8.622 -2.452 -5.355 90 HH2 TRP 12 HH TRP 12 -10.781 -1.470 -6.070 91 H LYS 13 H LYS 13 -8.281 -1.821 2.060 92 HA LYS 13 HA LYS 13 -6.146 -1.183 3.714 93 1HB LYS 13 1HB LYS 13 -8.639 -1.758 4.231 94 2HB LYS 13 2HB LYS 13 -8.048 -3.429 4.398 95 1HG LYS 13 1HG LYS 13 -6.431 -2.727 6.095 96 2HG LYS 13 2HG LYS 13 -6.896 -1.024 5.875 97 1HD LYS 13 1HD LYS 13 -9.222 -1.601 6.579 98 2HD LYS 13 2HD LYS 13 -8.693 -3.274 6.875 99 1HE LYS 13 1HE LYS 13 -7.957 -2.688 8.915 100 2HE LYS 13 2HE LYS 13 -6.842 -1.517 8.178 101 1HZ LYS 13 1HZ LYS 13 -9.247 -1.061 9.561 102 2HZ LYS 13 2HZ LYS 13 -8.069 0.007 9.122 103 3HZ LYS 13 3HZ LYS 13 -9.287 -0.355 8.071 104 H LEU 14 H LEU 14 -6.249 -3.686 1.460 105 HA LEU 14 HA LEU 14 -4.504 -5.486 3.016 106 1HB LEU 14 1HB LEU 14 -4.683 -6.894 0.928 107 2HB LEU 14 2HB LEU 14 -6.239 -6.557 1.724 108 HG LEU 14 HG LEU 14 -6.256 -6.252 -0.794 109 1HD1 LEU 14 1HD1 LEU 14 -6.783 -3.513 0.094 110 2HD1 LEU 14 2HD1 LEU 14 -7.925 -4.766 -0.449 111 3HD1 LEU 14 3HD1 LEU 14 -7.405 -4.713 1.253 112 1HD2 LEU 14 1HD2 LEU 14 -4.826 -4.819 -1.837 113 2HD2 LEU 14 2HD2 LEU 14 -4.943 -3.608 -0.538 114 3HD2 LEU 14 3HD2 LEU 14 -3.842 -4.996 -0.365 115 H LEU 15 H LEU 15 -4.440 -3.120 0.384 116 HA LEU 15 HA LEU 15 -1.575 -3.725 -0.093 117 1HB LEU 15 1HB LEU 15 -1.963 -2.053 -2.006 118 2HB LEU 15 2HB LEU 15 -2.797 -3.621 -2.128 119 HG LEU 15 HG LEU 15 -4.845 -2.597 -1.172 120 1HD1 LEU 15 1HD1 LEU 15 -4.131 0.180 -1.552 121 2HD1 LEU 15 2HD1 LEU 15 -4.752 -0.622 -0.090 122 3HD1 LEU 15 3HD1 LEU 15 -3.000 -0.569 -0.399 123 1HD2 LEU 15 1HD2 LEU 15 -4.800 -2.608 -3.548 124 2HD2 LEU 15 2HD2 LEU 15 -5.230 -0.935 -3.119 125 3HD2 LEU 15 3HD2 LEU 15 -3.566 -1.328 -3.613 126 H LYS 16 H LYS 16 -3.762 -1.460 1.412 127 HA LYS 16 HA LYS 16 -2.533 0.961 1.387 128 1HB LYS 16 1HB LYS 16 -4.059 1.274 3.000 129 2HB LYS 16 2HB LYS 16 -4.250 -0.487 3.172 130 1HG LYS 16 1HG LYS 16 -1.970 1.058 4.464 131 2HG LYS 16 2HG LYS 16 -3.523 0.764 5.284 132 1HD LYS 16 1HD LYS 16 -2.162 -1.588 4.016 133 2HD LYS 16 2HD LYS 16 -1.449 -0.934 5.510 134 1HE LYS 16 1HE LYS 16 -4.415 -1.524 5.269 135 2HE LYS 16 2HE LYS 16 -3.248 -2.771 5.760 136 1HZ LYS 16 1HZ LYS 16 -4.402 -1.301 7.498 137 2HZ LYS 16 2HZ LYS 16 -2.811 -1.695 7.679 138 3HZ LYS 16 3HZ LYS 16 -3.232 -0.205 7.113 139 H LYS 17 H LYS 17 -1.146 -2.019 2.509 140 HA LYS 17 HA LYS 17 0.964 -0.644 4.035 141 1HB LYS 17 1HB LYS 17 1.621 -2.820 4.734 142 2HB LYS 17 2HB LYS 17 -0.159 -2.852 4.712 143 1HG LYS 17 1HG LYS 17 -0.200 -4.012 2.608 144 2HG LYS 17 2HG LYS 17 1.541 -3.741 2.351 145 1HD LYS 17 1HD LYS 17 2.103 -5.199 4.210 146 2HD LYS 17 2HD LYS 17 0.389 -5.349 4.668 147 1HE LYS 17 1HE LYS 17 -0.004 -6.929 3.095 148 2HE LYS 17 2HE LYS 17 0.893 -6.031 1.851 149 1HZ LYS 17 1HZ LYS 17 1.808 -8.070 3.666 150 2HZ LYS 17 2HZ LYS 17 2.250 -7.761 2.108 151 3HZ LYS 17 3HZ LYS 17 2.867 -6.849 3.336 152 H TRP 18 H TRP 18 0.283 -1.521 0.813 153 HA TRP 18 HA TRP 18 2.921 -2.277 -0.033 154 1HB TRP 18 1HB TRP 18 2.025 -1.772 -2.293 155 2HB TRP 18 2HB TRP 18 0.997 -2.861 -1.351 156 HD1 TRP 18 HD TRP 18 -0.616 -1.795 -3.497 157 HE1 TRP 18 1HE TRP 18 -2.371 0.041 -3.308 158 HE3 TRP 18 3HE TRP 18 1.030 0.456 0.795 159 HZ2 TRP 18 2HZ TRP 18 -2.993 2.228 -1.517 160 HZ3 TRP 18 3HZ TRP 18 -0.167 2.410 1.710 161 HH2 TRP 18 HH TRP 18 -2.175 3.306 0.569 162 H LYS 19 H LYS 19 1.086 0.815 -0.020 163 HA LYS 19 HA LYS 19 3.283 2.307 -1.164 164 1HB LYS 19 1HB LYS 19 0.654 2.757 -1.040 165 2HB LYS 19 2HB LYS 19 1.119 3.615 0.448 166 1HG LYS 19 1HG LYS 19 2.710 4.992 -0.782 167 2HG LYS 19 2HG LYS 19 2.420 4.060 -2.271 168 1HD LYS 19 1HD LYS 19 0.109 4.821 -2.362 169 2HD LYS 19 2HD LYS 19 0.269 5.620 -0.779 170 1HE LYS 19 1HE LYS 19 1.653 7.310 -1.625 171 2HE LYS 19 2HE LYS 19 2.150 6.339 -3.028 172 1HZ LYS 19 1HZ LYS 19 -0.631 6.806 -2.980 173 2HZ LYS 19 2HZ LYS 19 0.217 8.220 -2.981 174 3HZ LYS 19 3HZ LYS 19 0.467 7.108 -4.173 175 H MET 20 H MET 20 2.904 0.832 1.805 176 HA MET 20 HA MET 20 4.251 2.989 3.318 177 1HB MET 20 1HB MET 20 2.992 0.335 4.093 178 2HB MET 20 2HB MET 20 3.909 1.349 5.232 179 1HG MET 20 1HG MET 20 1.601 2.415 3.582 180 2HG MET 20 2HG MET 20 1.362 1.670 5.172 181 1HE MET 20 1HE MET 20 3.369 5.315 3.729 182 2HE MET 20 2HE MET 20 2.103 4.291 3.010 183 3HE MET 20 3HE MET 20 1.653 5.675 4.034 184 H ARG 21 H ARG 21 6.041 2.141 4.851 185 HA ARG 21 HA ARG 21 8.170 1.328 5.048 186 1HB ARG 21 1HB ARG 21 6.600 -0.842 4.671 187 2HB ARG 21 2HB ARG 21 7.650 -0.989 3.241 188 1HG ARG 21 1HG ARG 21 9.619 -1.107 4.557 189 2HG ARG 21 2HG ARG 21 8.799 -0.460 5.998 190 1HD ARG 21 1HD ARG 21 7.474 -2.867 5.024 191 2HD ARG 21 2HD ARG 21 9.195 -3.173 5.344 192 HE ARG 21 HE ARG 21 8.337 -1.766 7.561 193 1HH1 ARG 21 2HH2 ARG 21 7.322 -4.704 5.876 194 2HH1 ARG 21 1HH2 ARG 21 6.716 -5.486 7.319 195 1HH2 ARG 21 2HH1 ARG 21 7.535 -2.799 9.467 196 2HH2 ARG 21 1HH1 ARG 21 6.837 -4.400 9.366 197 H ARG 22 H ARG 22 7.055 2.784 2.464 198 HA ARG 22 HA ARG 22 9.274 2.089 0.629 199 1HB ARG 22 1HB ARG 22 6.575 3.315 0.391 200 2HB ARG 22 2HB ARG 22 7.836 4.009 -0.656 201 1HG ARG 22 1HG ARG 22 6.999 2.239 -1.961 202 2HG ARG 22 2HG ARG 22 8.425 1.511 -1.184 203 1HD ARG 22 1HD ARG 22 5.811 1.356 0.275 204 2HD ARG 22 2HD ARG 22 6.018 0.318 -1.153 205 HE ARG 22 HE ARG 22 8.228 0.241 0.772 206 1HH1 ARG 22 2HH2 ARG 22 5.148 -1.129 -0.296 207 2HH1 ARG 22 1HH2 ARG 22 5.414 -2.677 0.473 208 1HH2 ARG 22 2HH1 ARG 22 8.578 -1.804 1.788 209 2HH2 ARG 22 1HH1 ARG 22 7.370 -3.062 1.662 210 H ASN 23 H ASN 23 10.625 3.066 2.538 211 HA ASN 23 HA ASN 23 10.611 5.995 2.592 212 1HB ASN 23 1HB ASN 23 11.076 4.988 4.678 213 2HB ASN 23 2HB ASN 23 12.196 3.810 3.959 214 1HD2 ASN 23 1HD2 ASN 23 14.264 4.210 4.486 215 2HD2 ASN 23 2HD2 ASN 23 14.987 5.796 4.649 216 H GLN 24 H GLN 24 13.626 4.179 2.571 217 HA GLN 24 HA GLN 24 14.235 4.948 -0.194 218 1HB GLN 24 1HB GLN 24 14.785 6.783 1.790 219 2HB GLN 24 2HB GLN 24 16.311 5.871 1.691 220 1HG GLN 24 1HG GLN 24 16.195 6.169 -0.833 221 2HG GLN 24 2HG GLN 24 14.846 7.294 -0.563 222 1HE2 GLN 24 1HE2 GLN 24 15.326 9.059 1.149 223 2HE2 GLN 24 2HE2 GLN 24 16.902 9.816 1.045 224 H PHE 25 H PHE 25 15.420 3.682 2.953 225 HA PHE 25 HA PHE 25 17.218 1.851 1.465 226 1HB PHE 25 1HB PHE 25 18.388 2.990 3.161 227 2HB PHE 25 2HB PHE 25 17.053 2.833 4.315 228 HD1 PHE 25 1HD PHE 25 16.385 0.270 4.820 229 HD2 PHE 25 2HD PHE 25 20.232 1.635 3.482 230 HE1 PHE 25 1HE PHE 25 17.436 -1.770 5.760 231 HE2 PHE 25 2HE PHE 25 21.283 -0.405 4.422 232 HZ PHE 25 HZ PHE 25 19.885 -2.108 5.561 233 H TRP 26 H TRP 26 14.508 1.955 3.796 234 HA TRP 26 HA TRP 26 14.347 -0.997 3.720 235 1HB TRP 26 1HB TRP 26 12.508 -0.549 5.419 236 2HB TRP 26 2HB TRP 26 14.161 -0.147 5.906 237 HD1 TRP 26 HD TRP 26 10.757 1.339 5.383 238 HE1 TRP 26 1HE TRP 26 10.724 3.795 6.055 239 HE3 TRP 26 3HE TRP 26 15.788 2.085 5.960 240 HZ2 TRP 26 2HZ TRP 26 12.642 5.845 6.759 241 HZ3 TRP 26 3HZ TRP 26 16.645 4.299 6.631 242 HH2 TRP 26 HH TRP 26 15.091 6.185 7.033 243 H VAL 27 H VAL 27 13.808 0.512 1.299 244 HA VAL 27 HA VAL 27 10.878 0.522 1.053 245 HB VAL 27 HB VAL 27 11.353 1.356 -1.224 246 1HG1 VAL 27 1HG1 VAL 27 11.258 3.191 0.172 247 2HG1 VAL 27 2HG1 VAL 27 12.545 2.579 1.238 248 3HG1 VAL 27 3HG1 VAL 27 12.962 3.322 -0.325 249 1HG2 VAL 27 1HG2 VAL 27 13.364 1.079 -2.224 250 2HG2 VAL 27 2HG2 VAL 27 14.232 1.723 -0.810 251 3HG2 VAL 27 3HG2 VAL 27 13.780 0.003 -0.869 252 H LYS 28 H LYS 28 11.615 -0.266 -1.925 253 HA LYS 28 HA LYS 28 10.940 -3.091 -1.522 254 1HB LYS 28 1HB LYS 28 11.163 -1.277 -3.946 255 2HB LYS 28 2HB LYS 28 10.820 -3.019 -4.067 256 1HG LYS 28 1HG LYS 28 8.668 -2.723 -3.437 257 2HG LYS 28 2HG LYS 28 9.144 -1.718 -2.048 258 1HD LYS 28 1HD LYS 28 8.944 0.254 -3.230 259 2HD LYS 28 2HD LYS 28 9.399 -0.503 -4.776 260 1HE LYS 28 1HE LYS 28 7.092 -1.816 -4.349 261 2HE LYS 28 2HE LYS 28 6.725 -0.339 -3.432 262 1HZ LYS 28 1HZ LYS 28 7.734 0.654 -5.653 263 2HZ LYS 28 2HZ LYS 28 7.034 -0.714 -6.253 264 3HZ LYS 28 3HZ LYS 28 6.124 0.381 -5.420 265 H VAL 29 H VAL 29 13.481 -2.517 -0.511 266 HA VAL 29 HA VAL 29 15.505 -3.099 -2.507 267 HB VAL 29 HB VAL 29 16.901 -3.424 -0.356 268 1HG1 VAL 29 1HG1 VAL 29 15.498 -0.746 -0.470 269 2HG1 VAL 29 2HG1 VAL 29 17.222 -1.097 -0.204 270 3HG1 VAL 29 3HG1 VAL 29 16.514 -1.290 -1.826 271 1HG2 VAL 29 1HG2 VAL 29 14.764 -1.935 1.090 272 2HG2 VAL 29 2HG2 VAL 29 14.461 -3.671 0.839 273 3HG2 VAL 29 3HG2 VAL 29 15.927 -3.138 1.696 274 H GLN 30 H GLN 30 14.155 -5.033 -3.291 275 HA GLN 30 HA GLN 30 14.563 -7.417 -1.580 276 1HB GLN 30 1HB GLN 30 12.436 -6.572 -3.148 277 2HB GLN 30 2HB GLN 30 13.239 -7.778 -4.181 278 1HG GLN 30 1HG GLN 30 13.257 -9.346 -2.205 279 2HG GLN 30 2HG GLN 30 12.280 -8.158 -1.317 280 1HE2 GLN 30 1HE2 GLN 30 11.803 -11.009 -2.450 281 2HE2 GLN 30 2HE2 GLN 30 10.282 -10.860 -3.304 282 H ARG 31 H ARG 31 15.336 -9.423 -2.696 283 HA ARG 31 HA ARG 31 16.890 -9.117 -5.124 284 1HB ARG 31 1HB ARG 31 18.147 -8.330 -2.750 285 2HB ARG 31 2HB ARG 31 18.718 -9.994 -3.017 286 1HG ARG 31 1HG ARG 31 20.136 -9.202 -4.580 287 2HG ARG 31 2HG ARG 31 18.727 -8.737 -5.563 288 1HD ARG 31 1HD ARG 31 18.662 -6.649 -3.948 289 2HD ARG 31 2HD ARG 31 20.363 -7.070 -3.655 290 HE ARG 31 HE ARG 31 19.617 -6.914 -6.480 291 1HH1 ARG 31 2HH2 ARG 31 20.806 -5.205 -3.622 292 2HH1 ARG 31 1HH2 ARG 31 21.585 -3.934 -4.538 293 1HH2 ARG 31 2HH1 ARG 31 20.646 -5.236 -7.689 294 2HH2 ARG 31 1HH1 ARG 31 21.494 -3.952 -6.857 295 H GLY 32 H GLY 32 16.750 -11.044 -2.067 296 1HA GLY 32 1HA GLY 32 16.398 -13.462 -3.786 297 2HA GLY 32 2HA GLY 32 17.342 -13.457 -2.278 Start of MODEL 20 1 HA PRO 1 HA PRO 1 -10.712 14.896 3.466 2 1HB PRO 1 1HB PRO 1 -8.893 13.860 1.722 3 2HB PRO 1 2HB PRO 1 -8.412 14.988 3.032 4 1HG PRO 1 1HG PRO 1 -8.311 11.958 3.085 5 2HG PRO 1 2HG PRO 1 -6.981 13.098 3.474 6 1HD PRO 1 1HD PRO 1 -8.549 12.024 5.428 7 2HD PRO 1 2HD PRO 1 -8.037 13.737 5.515 8 HA PRO 2 HA PRO 2 -13.290 12.045 1.320 9 1HB PRO 2 1HB PRO 2 -13.280 12.943 -1.253 10 2HB PRO 2 2HB PRO 2 -13.939 13.932 0.091 11 1HG PRO 2 1HG PRO 2 -11.156 14.074 -1.103 12 2HG PRO 2 2HG PRO 2 -12.302 15.430 -0.852 13 1HD PRO 2 1HD PRO 2 -10.346 14.869 0.961 14 2HD PRO 2 2HD PRO 2 -11.979 15.352 1.510 15 H LEU 3 H LEU 3 -13.227 10.871 -1.117 16 HA LEU 3 HA LEU 3 -12.241 9.220 -2.359 17 1HB LEU 3 1HB LEU 3 -10.552 10.863 -2.959 18 2HB LEU 3 2HB LEU 3 -9.692 10.592 -1.424 19 HG LEU 3 HG LEU 3 -9.341 8.207 -2.079 20 1HD1 LEU 3 1HD1 LEU 3 -10.622 7.343 -3.719 21 2HD1 LEU 3 2HD1 LEU 3 -11.270 8.957 -4.100 22 3HD1 LEU 3 3HD1 LEU 3 -9.778 8.390 -4.887 23 1HD2 LEU 3 1HD2 LEU 3 -7.940 10.416 -2.875 24 2HD2 LEU 3 2HD2 LEU 3 -7.431 8.745 -3.217 25 3HD2 LEU 3 3HD2 LEU 3 -8.310 9.678 -4.452 26 H SER 4 H SER 4 -12.121 7.102 -1.868 27 HA SER 4 HA SER 4 -11.924 5.211 -0.590 28 1HB SER 4 1HB SER 4 -9.421 6.329 -0.869 29 2HB SER 4 2HB SER 4 -9.548 6.141 0.897 30 HG SER 4 HG SER 4 -10.175 3.958 0.504 31 H GLN 5 H GLN 5 -13.593 5.102 0.833 32 HA GLN 5 HA GLN 5 -13.046 5.845 3.596 33 1HB GLN 5 1HB GLN 5 -15.160 7.261 1.941 34 2HB GLN 5 2HB GLN 5 -15.228 7.173 3.718 35 1HG GLN 5 1HG GLN 5 -13.036 8.401 2.003 36 2HG GLN 5 2HG GLN 5 -14.124 9.240 3.130 37 1HE2 GLN 5 1HE2 GLN 5 -14.057 7.376 5.285 38 2HE2 GLN 5 2HE2 GLN 5 -12.456 7.413 5.992 39 H GLU 6 H GLU 6 -16.331 5.741 2.364 40 HA GLU 6 HA GLU 6 -16.551 2.958 3.410 41 1HB GLU 6 1HB GLU 6 -18.821 3.511 4.061 42 2HB GLU 6 2HB GLU 6 -17.726 4.746 4.726 43 1HG GLU 6 1HG GLU 6 -18.294 5.827 2.278 44 2HG GLU 6 2HG GLU 6 -19.816 4.979 2.626 45 H THR 7 H THR 7 -15.696 3.421 0.758 46 HA THR 7 HA THR 7 -17.759 1.974 -0.662 47 HB THR 7 HB THR 7 -17.433 4.912 -1.032 48 HG1 THR 7 1HG THR 7 -19.597 4.579 -1.717 49 1HG2 THR 7 1HG2 THR 7 -16.805 4.767 -3.198 50 2HG2 THR 7 2HG2 THR 7 -16.939 2.992 -3.178 51 3HG2 THR 7 3HG2 THR 7 -18.374 3.989 -3.517 52 H PHE 8 H PHE 8 -15.628 4.227 -2.329 53 HA PHE 8 HA PHE 8 -14.361 2.279 -3.877 54 1HB PHE 8 1HB PHE 8 -12.477 4.247 -3.730 55 2HB PHE 8 2HB PHE 8 -13.903 4.291 -4.781 56 HD1 PHE 8 1HD PHE 8 -13.863 4.694 -1.074 57 HD2 PHE 8 2HD PHE 8 -14.311 6.619 -4.888 58 HE1 PHE 8 1HE PHE 8 -14.637 6.760 0.059 59 HE2 PHE 8 2HE PHE 8 -15.085 8.685 -3.754 60 HZ PHE 8 HZ PHE 8 -15.248 8.755 -1.281 61 H SER 9 H SER 9 -13.923 3.049 -0.535 62 HA SER 9 HA SER 9 -11.181 2.105 -0.358 63 1HB SER 9 1HB SER 9 -13.211 3.299 1.383 64 2HB SER 9 2HB SER 9 -12.322 1.982 2.185 65 HG SER 9 HG SER 9 -11.289 4.046 2.349 66 H ASP 10 H ASP 10 -14.389 0.710 -0.341 67 HA ASP 10 HA ASP 10 -13.792 -1.681 1.100 68 1HB ASP 10 1HB ASP 10 -16.043 -0.529 0.107 69 2HB ASP 10 2HB ASP 10 -15.765 -1.781 -1.122 70 H LEU 11 H LEU 11 -13.072 -0.564 -2.140 71 HA LEU 11 HA LEU 11 -12.497 -3.269 -3.121 72 1HB LEU 11 1HB LEU 11 -11.470 -1.419 -4.936 73 2HB LEU 11 2HB LEU 11 -13.080 -2.176 -5.005 74 HG LEU 11 HG LEU 11 -13.660 0.080 -5.033 75 1HD1 LEU 11 1HD1 LEU 11 -14.803 0.408 -3.055 76 2HD1 LEU 11 2HD1 LEU 11 -14.330 -1.291 -2.815 77 3HD1 LEU 11 3HD1 LEU 11 -13.389 0.011 -2.049 78 1HD2 LEU 11 1HD2 LEU 11 -12.434 1.841 -3.882 79 2HD2 LEU 11 2HD2 LEU 11 -11.452 0.640 -3.009 80 3HD2 LEU 11 3HD2 LEU 11 -11.271 0.829 -4.770 81 H TRP 12 H TRP 12 -10.341 -0.694 -4.036 82 HA TRP 12 HA TRP 12 -7.970 -1.281 -4.113 83 1HB TRP 12 1HB TRP 12 -8.221 -0.024 -1.410 84 2HB TRP 12 2HB TRP 12 -7.148 0.388 -2.755 85 HD1 TRP 12 HD TRP 12 -9.513 2.094 -0.940 86 HE1 TRP 12 1HE TRP 12 -10.941 3.740 -2.257 87 HE3 TRP 12 3HE TRP 12 -8.685 0.287 -5.656 88 HZ2 TRP 12 2HZ TRP 12 -11.647 4.223 -5.022 89 HZ3 TRP 12 3HZ TRP 12 -9.751 1.364 -7.604 90 HH2 TRP 12 HH TRP 12 -11.231 3.328 -7.305 91 H LYS 13 H LYS 13 -9.767 -2.370 -1.246 92 HA LYS 13 HA LYS 13 -7.708 -3.603 0.187 93 1HB LYS 13 1HB LYS 13 -9.756 -3.576 1.283 94 2HB LYS 13 2HB LYS 13 -10.656 -4.098 -0.161 95 1HG LYS 13 1HG LYS 13 -9.821 -6.353 0.038 96 2HG LYS 13 2HG LYS 13 -8.662 -5.873 1.301 97 1HD LYS 13 1HD LYS 13 -10.299 -5.715 2.935 98 2HD LYS 13 2HD LYS 13 -11.578 -5.312 1.765 99 1HE LYS 13 1HE LYS 13 -11.798 -7.617 2.746 100 2HE LYS 13 2HE LYS 13 -11.661 -7.603 0.974 101 1HZ LYS 13 1HZ LYS 13 -9.252 -7.867 2.564 102 2HZ LYS 13 2HZ LYS 13 -10.237 -9.180 2.403 103 3HZ LYS 13 3HZ LYS 13 -9.596 -8.461 1.064 104 H LEU 14 H LEU 14 -8.671 -4.217 -2.998 105 HA LEU 14 HA LEU 14 -8.106 -7.088 -2.960 106 1HB LEU 14 1HB LEU 14 -8.231 -6.596 -5.545 107 2HB LEU 14 2HB LEU 14 -9.714 -6.555 -4.560 108 HG LEU 14 HG LEU 14 -9.219 -4.560 -6.187 109 1HD1 LEU 14 1HD1 LEU 14 -10.126 -4.507 -3.319 110 2HD1 LEU 14 2HD1 LEU 14 -9.969 -2.962 -4.190 111 3HD1 LEU 14 3HD1 LEU 14 -11.059 -4.226 -4.809 112 1HD2 LEU 14 1HD2 LEU 14 -6.826 -4.462 -5.034 113 2HD2 LEU 14 2HD2 LEU 14 -7.652 -2.967 -5.533 114 3HD2 LEU 14 3HD2 LEU 14 -7.690 -3.477 -3.829 115 H LEU 15 H LEU 15 -6.549 -4.046 -4.042 116 HA LEU 15 HA LEU 15 -4.277 -5.281 -5.237 117 1HB LEU 15 1HB LEU 15 -5.078 -2.560 -4.314 118 2HB LEU 15 2HB LEU 15 -3.332 -2.864 -4.475 119 HG LEU 15 HG LEU 15 -4.895 -2.089 -6.554 120 1HD1 LEU 15 1HD1 LEU 15 -3.088 -3.756 -7.825 121 2HD1 LEU 15 2HD1 LEU 15 -2.720 -2.126 -7.211 122 3HD1 LEU 15 3HD1 LEU 15 -2.352 -3.556 -6.217 123 1HD2 LEU 15 1HD2 LEU 15 -5.825 -4.671 -6.031 124 2HD2 LEU 15 2HD2 LEU 15 -6.044 -3.769 -7.549 125 3HD2 LEU 15 3HD2 LEU 15 -4.681 -4.901 -7.376 126 H LYS 16 H LYS 16 -5.260 -4.864 -1.942 127 HA LYS 16 HA LYS 16 -2.897 -4.571 -0.538 128 1HB LYS 16 1HB LYS 16 -4.679 -4.712 0.890 129 2HB LYS 16 2HB LYS 16 -5.496 -5.960 -0.081 130 1HG LYS 16 1HG LYS 16 -2.908 -6.683 1.264 131 2HG LYS 16 2HG LYS 16 -4.367 -6.545 2.274 132 1HD LYS 16 1HD LYS 16 -3.830 -8.416 -0.046 133 2HD LYS 16 2HD LYS 16 -4.393 -8.805 1.598 134 1HE LYS 16 1HE LYS 16 -6.436 -7.252 0.903 135 2HE LYS 16 2HE LYS 16 -5.925 -7.692 -0.741 136 1HZ LYS 16 1HZ LYS 16 -5.914 -10.038 0.380 137 2HZ LYS 16 2HZ LYS 16 -7.062 -9.335 1.333 138 3HZ LYS 16 3HZ LYS 16 -7.271 -9.394 -0.302 139 H LYS 17 H LYS 17 -4.358 -7.771 -1.369 140 HA LYS 17 HA LYS 17 -2.220 -9.371 -0.631 141 1HB LYS 17 1HB LYS 17 -4.221 -10.450 -1.257 142 2HB LYS 17 2HB LYS 17 -4.299 -9.599 -2.818 143 1HG LYS 17 1HG LYS 17 -3.468 -11.629 -3.549 144 2HG LYS 17 2HG LYS 17 -1.932 -10.817 -3.163 145 1HD LYS 17 1HD LYS 17 -3.305 -12.241 -0.919 146 2HD LYS 17 2HD LYS 17 -2.576 -13.255 -2.187 147 1HE LYS 17 1HE LYS 17 -0.457 -11.885 -1.924 148 2HE LYS 17 2HE LYS 17 -1.206 -11.126 -0.502 149 1HZ LYS 17 1HZ LYS 17 0.043 -12.885 0.283 150 2HZ LYS 17 2HZ LYS 17 -1.507 -13.446 0.316 151 3HZ LYS 17 3HZ LYS 17 -0.480 -13.933 -0.878 152 H TRP 18 H TRP 18 -2.512 -7.205 -3.382 153 HA TRP 18 HA TRP 18 0.087 -8.239 -4.411 154 1HB TRP 18 1HB TRP 18 -0.906 -6.588 -6.357 155 2HB TRP 18 2HB TRP 18 -1.076 -8.348 -6.324 156 HD1 TRP 18 HD TRP 18 -3.049 -5.296 -6.616 157 HE1 TRP 18 1HE TRP 18 -5.543 -5.720 -6.319 158 HE3 TRP 18 3HE TRP 18 -2.836 -10.014 -4.643 159 HZ2 TRP 18 2HZ TRP 18 -7.249 -7.845 -5.344 160 HZ3 TRP 18 3HZ TRP 18 -4.912 -11.204 -4.043 161 HH2 TRP 18 HH TRP 18 -7.122 -10.136 -4.386 162 H LYS 19 H LYS 19 -1.465 -5.710 -2.720 163 HA LYS 19 HA LYS 19 0.566 -3.719 -3.556 164 1HB LYS 19 1HB LYS 19 -1.934 -3.190 -3.443 165 2HB LYS 19 2HB LYS 19 -1.782 -3.321 -1.675 166 1HG LYS 19 1HG LYS 19 0.110 -1.631 -1.812 167 2HG LYS 19 2HG LYS 19 -0.317 -1.396 -3.524 168 1HD LYS 19 1HD LYS 19 -2.084 -0.094 -2.984 169 2HD LYS 19 2HD LYS 19 -2.679 -1.286 -1.804 170 1HE LYS 19 1HE LYS 19 -0.231 0.192 -0.996 171 2HE LYS 19 2HE LYS 19 -1.700 1.182 -1.137 172 1HZ LYS 19 1HZ LYS 19 -2.431 -1.102 0.160 173 2HZ LYS 19 2HZ LYS 19 -0.997 -0.662 0.846 174 3HZ LYS 19 3HZ LYS 19 -2.255 0.404 0.811 175 H MET 20 H MET 20 0.292 -6.215 -1.395 176 HA MET 20 HA MET 20 1.131 -5.002 1.054 177 1HB MET 20 1HB MET 20 0.289 -7.488 0.284 178 2HB MET 20 2HB MET 20 2.038 -7.765 0.471 179 1HG MET 20 1HG MET 20 1.211 -8.158 2.624 180 2HG MET 20 2HG MET 20 1.792 -6.487 2.708 181 1HE MET 20 1HE MET 20 -0.700 -4.306 2.141 182 2HE MET 20 2HE MET 20 -0.732 -4.458 3.914 183 3HE MET 20 3HE MET 20 0.801 -4.655 3.031 184 H ARG 21 H ARG 21 3.297 -5.431 2.077 185 HA ARG 21 HA ARG 21 5.560 -5.096 2.098 186 1HB ARG 21 1HB ARG 21 5.177 -7.227 0.489 187 2HB ARG 21 2HB ARG 21 5.910 -6.112 -0.689 188 1HG ARG 21 1HG ARG 21 7.886 -5.862 0.612 189 2HG ARG 21 2HG ARG 21 7.119 -6.558 2.059 190 1HD ARG 21 1HD ARG 21 8.555 -8.253 1.119 191 2HD ARG 21 2HD ARG 21 6.876 -8.728 0.782 192 HE ARG 21 HE ARG 21 8.107 -7.169 -1.352 193 1HH1 ARG 21 2HH2 ARG 21 7.630 -10.381 0.048 194 2HH1 ARG 21 1HH2 ARG 21 7.903 -11.228 -1.458 195 1HH2 ARG 21 2HH1 ARG 21 8.468 -8.289 -3.342 196 2HH2 ARG 21 1HH1 ARG 21 8.380 -10.035 -3.391 197 H ARG 22 H ARG 22 3.493 -3.313 0.459 198 HA ARG 22 HA ARG 22 5.425 -1.840 -1.214 199 1HB ARG 22 1HB ARG 22 2.435 -1.536 -0.736 200 2HB ARG 22 2HB ARG 22 3.394 -0.517 -1.837 201 1HG ARG 22 1HG ARG 22 3.471 -3.533 -2.072 202 2HG ARG 22 2HG ARG 22 2.151 -2.601 -2.819 203 1HD ARG 22 1HD ARG 22 3.646 -2.548 -4.569 204 2HD ARG 22 2HD ARG 22 4.216 -1.118 -3.682 205 HE ARG 22 HE ARG 22 5.516 -3.545 -2.789 206 1HH1 ARG 22 2HH2 ARG 22 5.463 -1.054 -5.298 207 2HH1 ARG 22 1HH2 ARG 22 7.151 -1.246 -5.716 208 1HH2 ARG 22 2HH1 ARG 22 7.746 -3.798 -3.342 209 2HH2 ARG 22 1HH1 ARG 22 8.452 -2.811 -4.601 210 H ASN 23 H ASN 23 6.590 -1.471 0.995 211 HA ASN 23 HA ASN 23 5.408 0.934 2.299 212 1HB ASN 23 1HB ASN 23 5.766 -1.025 3.775 213 2HB ASN 23 2HB ASN 23 7.487 -1.031 3.332 214 1HD2 ASN 23 1HD2 ASN 23 7.807 -0.787 5.708 215 2HD2 ASN 23 2HD2 ASN 23 7.749 0.823 6.394 216 H GLN 24 H GLN 24 8.664 0.302 3.068 217 HA GLN 24 HA GLN 24 9.918 1.650 0.853 218 1HB GLN 24 1HB GLN 24 8.882 3.233 3.140 219 2HB GLN 24 2HB GLN 24 10.577 3.552 2.698 220 1HG GLN 24 1HG GLN 24 9.959 4.643 0.826 221 2HG GLN 24 2HG GLN 24 8.908 3.301 0.324 222 1HE2 GLN 24 1HE2 GLN 24 8.989 6.536 1.293 223 2HE2 GLN 24 2HE2 GLN 24 7.306 6.732 1.734 224 H PHE 25 H PHE 25 9.857 0.313 4.091 225 HA PHE 25 HA PHE 25 12.334 0.511 5.121 226 1HB PHE 25 1HB PHE 25 12.136 -2.064 5.525 227 2HB PHE 25 2HB PHE 25 10.944 -0.964 6.238 228 HD1 PHE 25 1HD PHE 25 10.189 -0.869 2.881 229 HD2 PHE 25 2HD PHE 25 10.000 -3.564 6.221 230 HE1 PHE 25 1HE PHE 25 8.361 -2.122 1.767 231 HE2 PHE 25 2HE PHE 25 8.173 -4.817 5.106 232 HZ PHE 25 HZ PHE 25 7.354 -4.096 2.879 233 H TRP 26 H TRP 26 11.516 -1.062 2.059 234 HA TRP 26 HA TRP 26 14.292 -2.027 1.760 235 1HB TRP 26 1HB TRP 26 13.197 -2.779 -0.509 236 2HB TRP 26 2HB TRP 26 12.888 -3.668 0.989 237 HD1 TRP 26 HD TRP 26 10.497 -4.431 0.998 238 HE1 TRP 26 1HE TRP 26 8.211 -3.473 0.412 239 HE3 TRP 26 3HE TRP 26 11.968 0.139 -0.776 240 HZ2 TRP 26 2HZ TRP 26 7.139 -1.022 -0.693 241 HZ3 TRP 26 3HZ TRP 26 10.289 1.756 -1.586 242 HH2 TRP 26 HH TRP 26 7.877 1.192 -1.552 243 H VAL 27 H VAL 27 13.988 0.792 1.938 244 HA VAL 27 HA VAL 27 14.387 1.644 -0.887 245 HB VAL 27 HB VAL 27 13.996 3.941 0.035 246 1HG1 VAL 27 1HG1 VAL 27 12.042 1.700 0.008 247 2HG1 VAL 27 2HG1 VAL 27 11.506 3.163 0.868 248 3HG1 VAL 27 3HG1 VAL 27 11.996 3.265 -0.840 249 1HG2 VAL 27 1HG2 VAL 27 12.661 3.288 2.449 250 2HG2 VAL 27 2HG2 VAL 27 14.233 2.456 2.521 251 3HG2 VAL 27 3HG2 VAL 27 14.169 4.217 2.267 252 H LYS 28 H LYS 28 15.617 4.160 0.382 253 HA LYS 28 HA LYS 28 18.361 3.093 0.403 254 1HB LYS 28 1HB LYS 28 17.171 5.885 0.277 255 2HB LYS 28 2HB LYS 28 18.920 5.573 0.391 256 1HG LYS 28 1HG LYS 28 18.578 4.006 -1.645 257 2HG LYS 28 2HG LYS 28 17.003 4.812 -1.835 258 1HD LYS 28 1HD LYS 28 18.512 6.049 -3.210 259 2HD LYS 28 2HD LYS 28 18.306 7.030 -1.740 260 1HE LYS 28 1HE LYS 28 20.379 5.750 -0.844 261 2HE LYS 28 2HE LYS 28 20.645 5.277 -2.537 262 1HZ LYS 28 1HZ LYS 28 20.199 7.924 -2.650 263 2HZ LYS 28 2HZ LYS 28 21.088 7.767 -1.270 264 3HZ LYS 28 3HZ LYS 28 21.675 7.190 -2.699 265 H VAL 29 H VAL 29 16.806 2.335 2.649 266 HA VAL 29 HA VAL 29 17.686 4.147 4.815 267 HB VAL 29 HB VAL 29 16.306 2.563 6.223 268 1HG1 VAL 29 1HG1 VAL 29 15.162 4.072 3.855 269 2HG1 VAL 29 2HG1 VAL 29 14.100 3.271 5.037 270 3HG1 VAL 29 3HG1 VAL 29 15.211 4.557 5.567 271 1HG2 VAL 29 1HG2 VAL 29 15.607 0.607 5.349 272 2HG2 VAL 29 2HG2 VAL 29 14.795 1.462 4.015 273 3HG2 VAL 29 3HG2 VAL 29 16.503 0.987 3.858 274 H GLN 30 H GLN 30 19.986 3.567 4.241 275 HA GLN 30 HA GLN 30 20.782 1.250 5.890 276 1HB GLN 30 1HB GLN 30 22.380 0.513 4.132 277 2HB GLN 30 2HB GLN 30 20.685 0.356 3.612 278 1HG GLN 30 1HG GLN 30 20.819 2.378 2.306 279 2HG GLN 30 2HG GLN 30 22.407 2.784 2.991 280 1HE2 GLN 30 1HE2 GLN 30 22.689 2.898 0.471 281 2HE2 GLN 30 2HE2 GLN 30 23.300 1.436 -0.274 282 H ARG 31 H ARG 31 23.357 1.277 5.938 283 HA ARG 31 HA ARG 31 24.046 4.011 6.781 284 1HB ARG 31 1HB ARG 31 26.078 2.855 7.699 285 2HB ARG 31 2HB ARG 31 24.543 2.204 8.322 286 1HG ARG 31 1HG ARG 31 25.484 0.921 5.825 287 2HG ARG 31 2HG ARG 31 26.562 0.682 7.221 288 1HD ARG 31 1HD ARG 31 23.909 0.374 8.189 289 2HD ARG 31 2HD ARG 31 23.993 -0.537 6.667 290 HE ARG 31 HE ARG 31 25.449 -2.049 7.660 291 1HH1 ARG 31 2HH2 ARG 31 25.092 0.845 9.660 292 2HH1 ARG 31 1HH2 ARG 31 25.941 0.168 11.032 293 1HH2 ARG 31 2HH1 ARG 31 26.571 -2.943 9.472 294 2HH2 ARG 31 1HH1 ARG 31 26.784 -1.991 10.924 295 H GLY 32 H GLY 32 26.484 4.588 6.329 296 1HA GLY 32 1HA GLY 32 27.803 3.682 4.018 297 2HA GLY 32 2HA GLY 32 26.719 5.001 3.519
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