NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11870 | 1s6u | 6129 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 1.259 0.082 17.909 2 2H GLY 1 2H GLY 1 2.539 0.784 18.726 3 3H GLY 1 3H GLY 1 1.397 1.710 17.941 4 1HA GLY 1 1HA GLY 1 3.280 1.686 16.565 5 2HA GLY 1 2HA GLY 1 3.318 -0.093 16.667 6 H GLU 2 H GLU 2 3.150 1.167 14.235 7 HA GLU 2 HA GLU 2 0.479 1.428 13.225 8 1HB GLU 2 2HB GLU 2 3.249 1.184 11.954 9 2HB GLU 2 3HB GLU 2 1.785 1.639 11.076 10 1HG GLU 2 2HG GLU 2 3.107 3.588 11.639 11 2HG GLU 2 3HG GLU 2 1.512 3.646 12.425 12 H VAL 3 H VAL 3 0.163 0.134 10.939 13 HA VAL 3 HA VAL 3 0.695 -2.763 11.423 14 HB VAL 3 HB VAL 3 -1.860 -1.455 10.485 15 1HG1 VAL 3 1HG1 VAL 3 -2.774 -3.753 10.407 16 2HG1 VAL 3 2HG1 VAL 3 -1.502 -3.487 9.212 17 3HG1 VAL 3 3HG1 VAL 3 -1.141 -4.403 10.691 18 1HG2 VAL 3 1HG2 VAL 3 -2.830 -2.575 12.504 19 2HG2 VAL 3 2HG2 VAL 3 -1.220 -3.183 12.934 20 3HG2 VAL 3 3HG2 VAL 3 -1.550 -1.444 12.977 21 H VAL 4 H VAL 4 1.338 -3.833 9.755 22 HA VAL 4 HA VAL 4 2.017 -2.495 7.207 23 HB VAL 4 HB VAL 4 3.422 -4.296 8.902 24 1HG1 VAL 4 1HG1 VAL 4 2.293 -6.209 7.845 25 2HG1 VAL 4 2HG1 VAL 4 2.761 -5.594 6.237 26 3HG1 VAL 4 3HG1 VAL 4 3.995 -6.135 7.398 27 1HG2 VAL 4 1HG2 VAL 4 5.140 -4.128 7.097 28 2HG2 VAL 4 2HG2 VAL 4 3.930 -3.314 6.084 29 3HG2 VAL 4 3HG2 VAL 4 4.476 -2.580 7.619 30 H LEU 5 H LEU 5 0.872 -2.937 5.405 31 HA LEU 5 HA LEU 5 -0.825 -5.379 5.328 32 1HB LEU 5 2HB LEU 5 -1.268 -2.601 4.262 33 2HB LEU 5 3HB LEU 5 -1.805 -3.967 3.294 34 HG LEU 5 HG LEU 5 -3.586 -3.127 4.606 35 1HD1 LEU 5 1HD1 LEU 5 -2.925 -5.782 5.911 36 2HD1 LEU 5 2HD1 LEU 5 -4.491 -5.174 5.379 37 3HD1 LEU 5 3HD1 LEU 5 -3.274 -5.683 4.189 38 1HD2 LEU 5 1HD2 LEU 5 -3.696 -3.131 7.015 39 2HD2 LEU 5 2HD2 LEU 5 -2.169 -4.009 7.143 40 3HD2 LEU 5 3HD2 LEU 5 -2.165 -2.327 6.587 41 H LYS 6 H LYS 6 -0.277 -6.834 3.696 42 HA LYS 6 HA LYS 6 1.765 -5.929 1.717 43 1HB LYS 6 2HB LYS 6 2.158 -7.948 3.506 44 2HB LYS 6 3HB LYS 6 1.336 -8.829 2.200 45 1HG LYS 6 2HG LYS 6 3.580 -9.047 1.648 46 2HG LYS 6 3HG LYS 6 3.072 -7.690 0.636 47 1HD LYS 6 2HD LYS 6 4.003 -6.099 2.292 48 2HD LYS 6 3HD LYS 6 4.400 -7.443 3.384 49 1HE LYS 6 2HE LYS 6 5.955 -8.393 1.705 50 2HE LYS 6 3HE LYS 6 5.545 -7.091 0.570 51 1HZ LYS 6 1HZ LYS 6 6.859 -6.679 3.164 52 2HZ LYS 6 2HZ LYS 6 7.587 -6.693 1.685 53 3HZ LYS 6 3HZ LYS 6 6.493 -5.521 2.033 54 H MET 7 H MET 7 0.907 -5.676 -0.245 55 HA MET 7 HA MET 7 -1.407 -7.304 -1.059 56 1HB MET 7 2HB MET 7 -1.800 -5.180 -2.536 57 2HB MET 7 3HB MET 7 -2.365 -5.261 -0.876 58 1HG MET 7 2HG MET 7 -0.543 -3.945 -0.048 59 2HG MET 7 3HG MET 7 0.171 -3.934 -1.663 60 1HE MET 7 1HE MET 7 -3.619 -2.972 -0.383 61 2HE MET 7 2HE MET 7 -2.351 -2.541 0.794 62 3HE MET 7 3HE MET 7 -3.213 -1.278 -0.112 63 H LYS 8 H LYS 8 -1.017 -8.572 -2.754 64 HA LYS 8 HA LYS 8 1.539 -8.334 -4.227 65 1HB LYS 8 2HB LYS 8 -0.846 -10.158 -4.739 66 2HB LYS 8 3HB LYS 8 0.607 -10.052 -5.723 67 1HG LYS 8 2HG LYS 8 1.098 -11.787 -4.409 68 2HG LYS 8 3HG LYS 8 1.953 -10.450 -3.604 69 1HD LYS 8 2HD LYS 8 0.273 -10.375 -1.825 70 2HD LYS 8 3HD LYS 8 -0.814 -11.395 -2.776 71 1HE LYS 8 2HE LYS 8 0.168 -12.817 -1.074 72 2HE LYS 8 3HE LYS 8 0.867 -13.275 -2.634 73 1HZ LYS 8 1HZ LYS 8 2.150 -11.655 -0.524 74 2HZ LYS 8 2HZ LYS 8 2.664 -13.105 -1.131 75 3HZ LYS 8 3HZ LYS 8 2.763 -11.671 -1.936 76 H VAL 9 H VAL 9 1.774 -7.331 -6.296 77 HA VAL 9 HA VAL 9 -0.690 -6.040 -7.398 78 HB VAL 9 HB VAL 9 0.862 -4.246 -8.179 79 1HG1 VAL 9 1HG1 VAL 9 0.440 -4.584 -5.177 80 2HG1 VAL 9 2HG1 VAL 9 0.892 -3.058 -5.955 81 3HG1 VAL 9 3HG1 VAL 9 -0.656 -3.823 -6.347 82 1HG2 VAL 9 1HG2 VAL 9 3.006 -5.450 -7.841 83 2HG2 VAL 9 2HG2 VAL 9 2.994 -3.875 -7.044 84 3HG2 VAL 9 3HG2 VAL 9 2.772 -5.330 -6.078 85 H GLU 10 H GLU 10 -0.740 -5.979 -9.656 86 HA GLU 10 HA GLU 10 1.179 -7.832 -11.035 87 1HB GLU 10 2HB GLU 10 -1.686 -7.234 -11.787 88 2HB GLU 10 3HB GLU 10 -0.590 -8.358 -12.590 89 1HG GLU 10 2HG GLU 10 -1.546 -8.671 -9.699 90 2HG GLU 10 3HG GLU 10 -2.242 -9.492 -11.099 91 H GLY 11 H GLY 11 2.038 -7.043 -12.978 92 1HA GLY 11 1HA GLY 11 2.179 -5.722 -14.882 93 2HA GLY 11 2HA GLY 11 0.836 -4.723 -14.321 94 H MET 12 H MET 12 2.056 -4.030 -11.717 95 HA MET 12 HA MET 12 3.651 -1.803 -12.559 96 1HB MET 12 2HB MET 12 3.161 -2.943 -9.782 97 2HB MET 12 3HB MET 12 4.164 -1.526 -10.156 98 1HG MET 12 2HG MET 12 2.155 -0.588 -11.435 99 2HG MET 12 3HG MET 12 1.187 -1.809 -10.606 100 1HE MET 12 1HE MET 12 0.573 -1.651 -8.054 101 2HE MET 12 2HE MET 12 2.308 -1.854 -7.682 102 3HE MET 12 3HE MET 12 1.378 -0.556 -6.904 103 H THR 13 H THR 13 5.178 -2.798 -13.852 104 HA THR 13 HA THR 13 7.649 -3.667 -12.421 105 HB THR 13 HB THR 13 6.889 -4.168 -15.305 106 HG1 THR 13 1HG THR 13 6.357 -5.687 -12.977 107 1HG2 THR 13 1HG2 THR 13 8.862 -5.522 -13.412 108 2HG2 THR 13 2HG2 THR 13 8.496 -6.041 -15.074 109 3HG2 THR 13 3HG2 THR 13 9.289 -4.485 -14.790 110 H CYS 14 HN CYS 14 7.189 -0.950 -12.304 111 HA CYS 14 HA CYS 14 9.629 -0.175 -13.488 112 1HB CYS 14 2HB CYS 14 9.036 1.663 -14.830 113 2HB CYS 14 3HB CYS 14 8.061 0.334 -15.433 114 H HIS 15 H HIS 15 10.140 2.125 -12.773 115 HA HIS 15 HA HIS 15 9.499 2.198 -9.967 116 1HB HIS 15 2HB HIS 15 11.754 2.714 -11.149 117 2HB HIS 15 3HB HIS 15 11.104 4.355 -11.302 118 HD1 HIS 15 1HD HIS 15 9.575 4.180 -8.387 119 HD2 HIS 15 2HD HIS 15 13.532 3.058 -9.251 120 HE1 HIS 15 1HE HIS 15 10.843 4.163 -6.150 121 H SER 16 H SER 16 8.251 3.786 -12.838 122 HA SER 16 HA SER 16 7.425 6.227 -11.671 123 1HB SER 16 2HB SER 16 6.219 4.795 -14.073 124 2HB SER 16 3HB SER 16 6.066 6.508 -13.649 125 HG SER 16 HG SER 16 7.767 6.119 -15.162 126 H CYS 17 HN CYS 17 5.354 3.341 -12.492 127 HA CYS 17 HA CYS 17 2.996 4.294 -11.362 128 1HB CYS 17 2HB CYS 17 3.931 1.390 -11.300 129 2HB CYS 17 3HB CYS 17 2.281 2.003 -11.283 130 H THR 18 H THR 18 5.533 2.312 -9.876 131 HA THR 18 HA THR 18 4.412 2.036 -7.318 132 HB THR 18 HB THR 18 6.817 1.450 -6.730 133 HG1 THR 18 1HG THR 18 7.498 1.427 -9.421 134 1HG2 THR 18 1HG2 THR 18 5.859 0.124 -9.322 135 2HG2 THR 18 2HG2 THR 18 6.776 -0.599 -7.986 136 3HG2 THR 18 3HG2 THR 18 5.072 -0.169 -7.773 137 H SER 19 H SER 19 6.961 4.365 -8.415 138 HA SER 19 HA SER 19 7.107 5.870 -6.018 139 1HB SER 19 2HB SER 19 8.704 6.093 -7.868 140 2HB SER 19 3HB SER 19 7.452 6.837 -8.890 141 HG SER 19 HG SER 19 8.856 8.346 -7.801 142 H THR 20 H THR 20 4.930 6.412 -8.858 143 HA THR 20 HA THR 20 3.640 8.724 -7.924 144 HB THR 20 HB THR 20 2.675 6.413 -9.666 145 HG1 THR 20 1HG THR 20 3.700 9.012 -10.138 146 1HG2 THR 20 1HG2 THR 20 1.314 9.083 -9.118 147 2HG2 THR 20 2HG2 THR 20 0.938 8.009 -10.485 148 3HG2 THR 20 3HG2 THR 20 0.651 7.455 -8.832 149 H ILE 21 H ILE 21 2.728 5.236 -7.357 150 HA ILE 21 HA ILE 21 0.538 5.921 -5.642 151 HB ILE 21 HB ILE 21 2.060 3.491 -6.502 152 1HG1 ILE 21 2HG1 ILE 21 -0.879 3.914 -5.910 153 2HG1 ILE 21 3HG1 ILE 21 -0.116 4.538 -7.367 154 1HG2 ILE 21 1HG2 ILE 21 0.412 3.515 -3.986 155 2HG2 ILE 21 2HG2 ILE 21 1.044 2.073 -4.821 156 3HG2 ILE 21 3HG2 ILE 21 2.177 3.222 -4.103 157 1HD1 ILE 21 1HD1 ILE 21 -0.034 1.589 -6.650 158 2HD1 ILE 21 2HD1 ILE 21 -1.262 2.362 -7.665 159 3HD1 ILE 21 3HD1 ILE 21 0.448 2.370 -8.171 160 H GLU 22 H GLU 22 3.995 5.237 -4.997 161 HA GLU 22 HA GLU 22 3.798 5.348 -2.220 162 1HB GLU 22 2HB GLU 22 5.936 5.290 -4.195 163 2HB GLU 22 3HB GLU 22 6.388 6.378 -2.901 164 1HG GLU 22 2HG GLU 22 5.877 4.641 -1.248 165 2HG GLU 22 3HG GLU 22 5.225 3.577 -2.518 166 H GLY 23 H GLY 23 4.357 8.068 -4.452 167 1HA GLY 23 1HA GLY 23 4.347 10.154 -2.555 168 2HA GLY 23 2HA GLY 23 3.840 10.284 -4.245 169 H LYS 24 H LYS 24 1.611 8.833 -4.513 170 HA LYS 24 HA LYS 24 -0.331 10.584 -3.503 171 1HB LYS 24 2HB LYS 24 -0.366 8.752 -5.481 172 2HB LYS 24 3HB LYS 24 -1.134 7.774 -4.240 173 1HG LYS 24 2HG LYS 24 -2.982 8.753 -5.186 174 2HG LYS 24 3HG LYS 24 -2.678 9.929 -3.910 175 1HD LYS 24 2HD LYS 24 -1.449 11.377 -5.519 176 2HD LYS 24 3HD LYS 24 -1.607 10.136 -6.773 177 1HE LYS 24 2HE LYS 24 -4.138 10.363 -6.580 178 2HE LYS 24 3HE LYS 24 -3.872 11.755 -5.520 179 1HZ LYS 24 1HZ LYS 24 -2.967 11.497 -8.321 180 2HZ LYS 24 2HZ LYS 24 -4.228 12.405 -7.797 181 3HZ LYS 24 3HZ LYS 24 -2.693 12.805 -7.363 182 H ILE 25 H ILE 25 0.551 7.351 -2.404 183 HA ILE 25 HA ILE 25 -1.344 7.208 -0.247 184 HB ILE 25 HB ILE 25 1.140 5.612 -0.820 185 1HG1 ILE 25 2HG1 ILE 25 -0.775 5.445 -2.482 186 2HG1 ILE 25 3HG1 ILE 25 -0.161 3.958 -1.748 187 1HG2 ILE 25 1HG2 ILE 25 0.091 3.982 0.823 188 2HG2 ILE 25 2HG2 ILE 25 0.755 5.466 1.525 189 3HG2 ILE 25 3HG2 ILE 25 -1.000 5.295 1.279 190 1HD1 ILE 25 1HD1 ILE 25 -2.550 5.439 -0.634 191 2HD1 ILE 25 2HD1 ILE 25 -2.677 4.169 -1.859 192 3HD1 ILE 25 3HD1 ILE 25 -1.986 3.791 -0.269 193 H GLY 26 H GLY 26 2.150 8.047 -0.381 194 1HA GLY 26 1HA GLY 26 2.615 8.648 2.292 195 2HA GLY 26 2HA GLY 26 3.346 9.486 0.911 196 H LYS 27 H LYS 27 1.010 10.709 -0.197 197 HA LYS 27 HA LYS 27 0.793 13.030 1.320 198 1HB LYS 27 2HB LYS 27 0.389 12.650 -1.144 199 2HB LYS 27 3HB LYS 27 -1.240 12.080 -0.713 200 1HG LYS 27 2HG LYS 27 -1.556 14.285 0.493 201 2HG LYS 27 3HG LYS 27 0.010 14.788 -0.173 202 1HD LYS 27 2HD LYS 27 -0.869 14.589 -2.459 203 2HD LYS 27 3HD LYS 27 -2.381 13.879 -1.845 204 1HE LYS 27 2HE LYS 27 -2.858 15.991 -0.585 205 2HE LYS 27 3HE LYS 27 -1.385 16.716 -1.251 206 1HZ LYS 27 1HZ LYS 27 -3.714 15.812 -2.818 207 2HZ LYS 27 2HZ LYS 27 -3.354 17.367 -2.441 208 3HZ LYS 27 3HZ LYS 27 -2.358 16.521 -3.436 209 H LEU 28 H LEU 28 -1.113 9.990 1.663 210 HA LEU 28 HA LEU 28 -3.478 11.323 2.592 211 1HB LEU 28 2HB LEU 28 -2.671 8.465 2.948 212 2HB LEU 28 3HB LEU 28 -4.250 9.186 3.148 213 HG LEU 28 HG LEU 28 -2.877 8.506 0.588 214 1HD1 LEU 28 1HD1 LEU 28 -4.756 7.193 1.670 215 2HD1 LEU 28 2HD1 LEU 28 -5.786 8.615 1.459 216 3HD1 LEU 28 3HD1 LEU 28 -5.149 7.758 0.036 217 1HD2 LEU 28 1HD2 LEU 28 -4.906 10.779 0.770 218 2HD2 LEU 28 2HD2 LEU 28 -3.235 10.910 0.172 219 3HD2 LEU 28 3HD2 LEU 28 -4.411 9.948 -0.716 220 H GLN 29 H GLN 29 -4.123 11.815 4.558 221 HA GLN 29 HA GLN 29 -2.271 11.879 6.678 222 1HB GLN 29 2HB GLN 29 -4.057 13.032 7.909 223 2HB GLN 29 3HB GLN 29 -3.913 13.620 6.248 224 1HG GLN 29 2HG GLN 29 -5.789 11.649 5.904 225 2HG GLN 29 3HG GLN 29 -6.137 12.114 7.564 226 1HE2 GLN 29 2HE2 GLN 29 -7.401 12.588 4.667 227 2HE2 GLN 29 1HE2 GLN 29 -7.814 14.290 4.756 228 H GLY 30 H GLY 30 -1.648 9.761 7.156 229 1HA GLY 30 1HA GLY 30 -2.663 8.446 9.346 230 2HA GLY 30 2HA GLY 30 -3.680 7.832 8.086 231 H VAL 31 H VAL 31 -1.060 8.095 6.257 232 HA VAL 31 HA VAL 31 -0.106 5.438 7.001 233 HB VAL 31 HB VAL 31 0.595 7.280 4.653 234 1HG1 VAL 31 1HG1 VAL 31 2.339 5.571 5.025 235 2HG1 VAL 31 2HG1 VAL 31 1.090 4.299 5.075 236 3HG1 VAL 31 3HG1 VAL 31 1.415 5.188 3.583 237 1HG2 VAL 31 1HG2 VAL 31 -1.811 6.655 4.621 238 2HG2 VAL 31 2HG2 VAL 31 -0.917 5.840 3.352 239 3HG2 VAL 31 3HG2 VAL 31 -1.361 4.944 4.814 240 H GLN 32 H GLN 32 2.080 4.972 7.395 241 HA GLN 32 HA GLN 32 3.673 7.252 8.533 242 1HB GLN 32 2HB GLN 32 2.977 4.495 9.531 243 2HB GLN 32 3HB GLN 32 4.400 5.340 10.138 244 1HG GLN 32 2HG GLN 32 1.819 6.810 10.143 245 2HG GLN 32 3HG GLN 32 2.091 5.592 11.379 246 1HE2 GLN 32 2HE2 GLN 32 2.417 6.826 13.228 247 2HE2 GLN 32 1HE2 GLN 32 3.648 8.069 13.338 248 H ARG 33 H ARG 33 3.754 4.134 6.699 249 HA ARG 33 HA ARG 33 6.197 4.977 5.425 250 1HB ARG 33 2HB ARG 33 6.894 3.952 7.695 251 2HB ARG 33 3HB ARG 33 6.344 2.412 7.080 252 1HG ARG 33 2HG ARG 33 8.159 2.139 5.753 253 2HG ARG 33 3HG ARG 33 8.154 3.815 5.181 254 1HD ARG 33 2HD ARG 33 9.117 2.974 7.935 255 2HD ARG 33 3HD ARG 33 10.168 3.242 6.525 256 HE ARG 33 HE ARG 33 8.468 5.518 6.919 257 1HH1 ARG 33 1HH2 ARG 33 11.118 3.923 8.583 258 2HH1 ARG 33 2HH2 ARG 33 11.893 5.381 9.119 259 1HH2 ARG 33 1HH1 ARG 33 9.487 7.496 7.541 260 2HH2 ARG 33 2HH1 ARG 33 10.929 7.477 8.503 261 H ILE 34 H ILE 34 6.774 3.322 3.696 262 HA ILE 34 HA ILE 34 4.648 1.610 2.865 263 HB ILE 34 HB ILE 34 3.629 3.651 2.319 264 1HG1 ILE 34 2HG1 ILE 34 5.072 2.846 -0.210 265 2HG1 ILE 34 3HG1 ILE 34 3.910 1.797 0.565 266 1HG2 ILE 34 1HG2 ILE 34 6.196 4.691 1.072 267 2HG2 ILE 34 2HG2 ILE 34 4.613 5.504 1.032 268 3HG2 ILE 34 3HG2 ILE 34 5.432 5.279 2.562 269 1HD1 ILE 34 1HD1 ILE 34 3.184 4.615 -0.300 270 2HD1 ILE 34 2HD1 ILE 34 2.866 3.156 -1.260 271 3HD1 ILE 34 3HD1 ILE 34 2.125 3.361 0.337 272 H LYS 35 H LYS 35 5.477 0.222 1.393 273 HA LYS 35 HA LYS 35 8.018 0.711 0.212 274 1HB LYS 35 2HB LYS 35 7.700 -1.301 2.413 275 2HB LYS 35 3HB LYS 35 8.631 -1.794 1.007 276 1HG LYS 35 2HG LYS 35 9.113 0.629 2.785 277 2HG LYS 35 3HG LYS 35 9.979 -0.901 2.876 278 1HD LYS 35 2HD LYS 35 10.951 -0.623 0.677 279 2HD LYS 35 3HD LYS 35 10.020 0.852 0.370 280 1HE LYS 35 2HE LYS 35 11.919 0.720 2.707 281 2HE LYS 35 3HE LYS 35 12.446 1.163 1.077 282 1HZ LYS 35 1HZ LYS 35 10.241 2.527 2.478 283 2HZ LYS 35 2HZ LYS 35 11.797 3.089 2.390 284 3HZ LYS 35 3HZ LYS 35 10.884 2.929 1.031 285 H VAL 36 H VAL 36 6.945 0.914 -1.696 286 HA VAL 36 HA VAL 36 5.374 -1.383 -2.641 287 HB VAL 36 HB VAL 36 5.987 1.297 -3.893 288 1HG1 VAL 36 1HG1 VAL 36 4.135 -0.966 -4.775 289 2HG1 VAL 36 2HG1 VAL 36 4.182 0.657 -5.483 290 3HG1 VAL 36 3HG1 VAL 36 5.591 -0.419 -5.613 291 1HG2 VAL 36 1HG2 VAL 36 3.459 0.138 -2.609 292 2HG2 VAL 36 2HG2 VAL 36 4.506 1.364 -1.880 293 3HG2 VAL 36 3HG2 VAL 36 3.623 1.735 -3.362 294 H SER 37 H SER 37 6.489 -3.173 -3.483 295 HA SER 37 HA SER 37 9.162 -2.733 -4.646 296 1HB SER 37 2HB SER 37 7.800 -5.347 -4.376 297 2HB SER 37 3HB SER 37 9.523 -4.985 -4.386 298 HG SER 37 HG SER 37 8.480 -5.494 -2.274 299 H LEU 38 H LEU 38 9.495 -4.063 -6.679 300 HA LEU 38 HA LEU 38 7.142 -4.102 -8.506 301 1HB LEU 38 2HB LEU 38 8.747 -3.322 -10.283 302 2HB LEU 38 3HB LEU 38 8.046 -2.132 -9.205 303 HG LEU 38 HG LEU 38 10.860 -3.189 -8.832 304 1HD1 LEU 38 1HD1 LEU 38 11.590 -1.132 -9.946 305 2HD1 LEU 38 2HD1 LEU 38 10.587 -2.103 -11.036 306 3HD1 LEU 38 3HD1 LEU 38 9.897 -0.675 -10.231 307 1HD2 LEU 38 1HD2 LEU 38 10.277 -2.110 -6.780 308 2HD2 LEU 38 2HD2 LEU 38 11.003 -0.813 -7.705 309 3HD2 LEU 38 3HD2 LEU 38 9.237 -0.928 -7.602 310 H ASP 39 H ASP 39 10.563 -5.088 -7.998 311 HA ASP 39 HA ASP 39 10.931 -6.996 -9.852 312 1HB ASP 39 2HB ASP 39 11.740 -7.508 -6.943 313 2HB ASP 39 3HB ASP 39 12.601 -7.892 -8.411 314 H ASN 40 H ASN 40 9.759 -7.609 -6.572 315 HA ASN 40 HA ASN 40 8.917 -10.277 -7.334 316 1HB ASN 40 2HB ASN 40 10.252 -9.639 -5.278 317 2HB ASN 40 3HB ASN 40 8.676 -9.228 -4.580 318 1HD2 ASN 40 2HD2 ASN 40 6.967 -11.095 -4.909 319 2HD2 ASN 40 1HD2 ASN 40 7.592 -12.717 -4.582 320 H GLN 41 H GLN 41 7.508 -7.687 -8.144 321 HA GLN 41 HA GLN 41 5.674 -6.469 -7.919 322 1HB GLN 41 2HB GLN 41 5.596 -8.824 -9.464 323 2HB GLN 41 3HB GLN 41 3.970 -8.679 -8.854 324 1HG GLN 41 2HG GLN 41 3.677 -6.550 -9.924 325 2HG GLN 41 3HG GLN 41 5.410 -6.260 -10.051 326 1HE2 GLN 41 2HE2 GLN 41 6.695 -7.824 -11.401 327 2HE2 GLN 41 1HE2 GLN 41 5.946 -8.254 -12.937 328 H GLU 42 H GLU 42 5.806 -6.215 -5.543 329 HA GLU 42 HA GLU 42 3.271 -6.983 -4.335 330 1HB GLU 42 2HB GLU 42 4.861 -8.867 -3.816 331 2HB GLU 42 3HB GLU 42 5.927 -7.707 -3.005 332 1HG GLU 42 2HG GLU 42 4.205 -7.206 -1.360 333 2HG GLU 42 3HG GLU 42 2.999 -8.136 -2.262 334 H ALA 43 H ALA 43 2.674 -5.563 -2.723 335 HA ALA 43 HA ALA 43 4.362 -3.150 -2.442 336 1HB ALA 43 1HB ALA 43 2.746 -2.555 -4.035 337 2HB ALA 43 2HB ALA 43 1.458 -3.415 -3.228 338 3HB ALA 43 3HB ALA 43 2.096 -1.917 -2.507 339 H THR 44 H THR 44 4.811 -2.591 -0.455 340 HA THR 44 HA THR 44 3.359 -3.748 1.851 341 HB THR 44 HB THR 44 5.874 -2.035 1.780 342 HG1 THR 44 1HG THR 44 6.380 -3.661 0.497 343 1HG2 THR 44 1HG2 THR 44 4.788 -4.096 3.759 344 2HG2 THR 44 2HG2 THR 44 6.374 -3.296 3.891 345 3HG2 THR 44 3HG2 THR 44 4.888 -2.339 3.988 346 H ILE 45 H ILE 45 1.948 -2.358 2.939 347 HA ILE 45 HA ILE 45 2.355 0.610 2.614 348 HB ILE 45 HB ILE 45 -0.270 -0.913 2.749 349 1HG1 ILE 45 2HG1 ILE 45 0.883 -1.265 0.530 350 2HG1 ILE 45 3HG1 ILE 45 -0.700 -0.480 0.488 351 1HG2 ILE 45 1HG2 ILE 45 -1.190 1.302 2.082 352 2HG2 ILE 45 2HG2 ILE 45 -0.494 1.280 3.716 353 3HG2 ILE 45 3HG2 ILE 45 0.399 2.036 2.386 354 1HD1 ILE 45 1HD1 ILE 45 1.934 0.975 0.261 355 2HD1 ILE 45 2HD1 ILE 45 0.913 0.497 -1.099 356 3HD1 ILE 45 3HD1 ILE 45 0.313 1.686 0.065 357 H VAL 46 H VAL 46 2.750 1.521 4.638 358 HA VAL 46 HA VAL 46 1.978 -0.135 6.997 359 HB VAL 46 HB VAL 46 4.282 1.770 7.045 360 1HG1 VAL 46 1HG1 VAL 46 3.567 -0.771 8.537 361 2HG1 VAL 46 2HG1 VAL 46 5.036 0.192 8.787 362 3HG1 VAL 46 3HG1 VAL 46 3.446 0.889 9.148 363 1HG2 VAL 46 1HG2 VAL 46 4.301 -1.047 5.931 364 2HG2 VAL 46 2HG2 VAL 46 4.917 0.416 5.153 365 3HG2 VAL 46 3HG2 VAL 46 5.758 -0.247 6.559 366 H TYR 47 H TYR 47 0.231 0.758 7.956 367 HA TYR 47 HA TYR 47 0.165 3.716 8.228 368 1HB TYR 47 2HB TYR 47 -1.997 3.905 7.312 369 2HB TYR 47 3HB TYR 47 -1.095 2.960 6.143 370 HD1 TYR 47 1HD TYR 47 -3.694 2.808 8.825 371 HD2 TYR 47 2HD TYR 47 -1.887 0.761 5.492 372 HE1 TYR 47 1HE TYR 47 -5.432 1.078 8.950 373 HE2 TYR 47 2HE TYR 47 -3.787 -0.833 5.477 374 HH TYR 47 HH TYR 47 -6.096 -0.986 8.193 375 H GLN 48 H GLN 48 -1.636 4.489 9.555 376 HA GLN 48 HA GLN 48 -1.429 2.981 12.049 377 1HB GLN 48 2HB GLN 48 -0.700 5.360 11.625 378 2HB GLN 48 3HB GLN 48 -2.381 5.819 11.596 379 1HG GLN 48 2HG GLN 48 -2.726 5.045 13.899 380 2HG GLN 48 3HG GLN 48 -1.179 4.180 13.897 381 1HE2 GLN 48 2HE2 GLN 48 -1.048 5.406 16.014 382 2HE2 GLN 48 1HE2 GLN 48 -0.254 6.967 15.912 383 HA PRO 49 HA PRO 49 -5.668 1.731 11.070 384 1HB PRO 49 2HB PRO 49 -6.116 -0.104 13.025 385 2HB PRO 49 3HB PRO 49 -4.915 -0.380 11.732 386 1HG PRO 49 2HG PRO 49 -4.381 0.755 14.500 387 2HG PRO 49 3HG PRO 49 -3.594 -0.654 13.749 388 1HD PRO 49 2HD PRO 49 -2.463 1.790 13.627 389 2HD PRO 49 3HD PRO 49 -2.444 0.751 12.167 390 H HIS 50 H HIS 50 -6.216 3.925 11.504 391 HA HIS 50 HA HIS 50 -8.358 4.341 13.368 392 1HB HIS 50 2HB HIS 50 -6.821 4.538 15.149 393 2HB HIS 50 3HB HIS 50 -5.565 5.234 14.121 394 HD1 HIS 50 1HD HIS 50 -5.094 7.451 15.325 395 HD2 HIS 50 2HD HIS 50 -9.175 6.703 14.606 396 HE1 HIS 50 1HE HIS 50 -6.350 9.579 15.956 397 H LEU 51 H LEU 51 -5.599 5.907 11.660 398 HA LEU 51 HA LEU 51 -7.247 8.225 10.972 399 1HB LEU 51 2HB LEU 51 -4.472 7.399 10.322 400 2HB LEU 51 3HB LEU 51 -5.183 8.926 9.807 401 HG LEU 51 HG LEU 51 -5.701 8.638 12.640 402 1HD1 LEU 51 1HD1 LEU 51 -3.760 7.193 12.786 403 2HD1 LEU 51 2HD1 LEU 51 -2.764 8.371 11.891 404 3HD1 LEU 51 3HD1 LEU 51 -3.390 8.768 13.505 405 1HD2 LEU 51 1HD2 LEU 51 -5.680 10.744 11.375 406 2HD2 LEU 51 2HD2 LEU 51 -4.571 10.799 12.757 407 3HD2 LEU 51 3HD2 LEU 51 -3.928 10.580 11.114 408 H ILE 52 H ILE 52 -5.769 5.482 9.167 409 HA ILE 52 HA ILE 52 -7.615 5.950 6.933 410 HB ILE 52 HB ILE 52 -4.945 6.686 6.987 411 1HG1 ILE 52 2HG1 ILE 52 -5.161 6.457 4.401 412 2HG1 ILE 52 3HG1 ILE 52 -6.859 6.136 4.860 413 1HG2 ILE 52 1HG2 ILE 52 -4.837 4.066 5.504 414 2HG2 ILE 52 2HG2 ILE 52 -3.563 5.294 5.789 415 3HG2 ILE 52 3HG2 ILE 52 -4.199 4.409 7.163 416 1HD1 ILE 52 1HD1 ILE 52 -5.118 8.555 5.546 417 2HD1 ILE 52 2HD1 ILE 52 -6.494 8.551 4.431 418 3HD1 ILE 52 3HD1 ILE 52 -6.766 8.324 6.174 419 H SER 53 H SER 53 -7.517 3.863 5.459 420 HA SER 53 HA SER 53 -7.415 1.428 7.174 421 1HB SER 53 2HB SER 53 -9.709 0.923 6.387 422 2HB SER 53 3HB SER 53 -9.659 2.446 7.294 423 HG SER 53 HG SER 53 -10.792 2.836 5.405 424 H VAL 54 H VAL 54 -7.489 -0.562 5.970 425 HA VAL 54 HA VAL 54 -6.011 -0.946 3.732 426 HB VAL 54 HB VAL 54 -8.545 -2.446 4.471 427 1HG1 VAL 54 1HG1 VAL 54 -6.331 -3.044 2.502 428 2HG1 VAL 54 2HG1 VAL 54 -7.405 -4.317 3.131 429 3HG1 VAL 54 3HG1 VAL 54 -8.073 -2.996 2.177 430 1HG2 VAL 54 1HG2 VAL 54 -5.633 -2.793 5.209 431 2HG2 VAL 54 2HG2 VAL 54 -7.053 -2.747 6.280 432 3HG2 VAL 54 3HG2 VAL 54 -6.752 -4.157 5.260 433 H GLU 55 H GLU 55 -9.534 -0.201 3.714 434 HA GLU 55 HA GLU 55 -9.778 -0.551 0.911 435 1HB GLU 55 2HB GLU 55 -11.658 -0.596 2.551 436 2HB GLU 55 3HB GLU 55 -11.483 1.163 2.673 437 1HG GLU 55 2HG GLU 55 -13.079 1.153 1.024 438 2HG GLU 55 3HG GLU 55 -11.711 0.739 -0.017 439 H GLU 56 H GLU 56 -9.125 2.471 2.819 440 HA GLU 56 HA GLU 56 -9.131 4.279 0.640 441 1HB GLU 56 2HB GLU 56 -8.050 4.176 3.418 442 2HB GLU 56 3HB GLU 56 -7.099 5.166 2.317 443 1HG GLU 56 2HG GLU 56 -10.112 5.463 2.633 444 2HG GLU 56 3HG GLU 56 -8.923 6.403 3.546 445 H MET 57 H MET 57 -6.337 2.437 2.111 446 HA MET 57 HA MET 57 -4.426 2.974 0.249 447 1HB MET 57 2HB MET 57 -4.863 0.353 1.541 448 2HB MET 57 3HB MET 57 -3.407 0.996 0.813 449 1HG MET 57 2HG MET 57 -4.756 2.128 3.259 450 2HG MET 57 3HG MET 57 -3.341 1.105 3.210 451 1HE MET 57 1HE MET 57 -3.482 5.631 2.695 452 2HE MET 57 2HE MET 57 -4.353 4.747 1.436 453 3HE MET 57 3HE MET 57 -4.839 4.569 3.136 454 H LYS 58 H LYS 58 -6.553 0.052 0.014 455 HA LYS 58 HA LYS 58 -5.666 -0.619 -2.621 456 1HB LYS 58 2HB LYS 58 -6.360 -2.317 -1.787 457 2HB LYS 58 3HB LYS 58 -7.768 -1.666 -0.819 458 1HG LYS 58 2HG LYS 58 -7.713 -2.003 -3.888 459 2HG LYS 58 3HG LYS 58 -7.962 -3.344 -2.822 460 1HD LYS 58 2HD LYS 58 -9.772 -1.313 -1.887 461 2HD LYS 58 3HD LYS 58 -9.850 -1.300 -3.661 462 1HE LYS 58 2HE LYS 58 -10.251 -3.763 -3.652 463 2HE LYS 58 3HE LYS 58 -10.199 -3.750 -1.874 464 1HZ LYS 58 1HZ LYS 58 -12.147 -2.312 -3.542 465 2HZ LYS 58 2HZ LYS 58 -12.445 -3.669 -2.652 466 3HZ LYS 58 3HZ LYS 58 -12.087 -2.266 -1.897 467 H LYS 59 H LYS 59 -8.804 0.880 -1.712 468 HA LYS 59 HA LYS 59 -9.838 1.205 -4.252 469 1HB LYS 59 2HB LYS 59 -10.786 1.823 -1.922 470 2HB LYS 59 3HB LYS 59 -10.003 3.370 -2.158 471 1HG LYS 59 2HG LYS 59 -11.429 3.007 -4.549 472 2HG LYS 59 3HG LYS 59 -12.441 2.175 -3.352 473 1HD LYS 59 2HD LYS 59 -12.127 4.348 -1.909 474 2HD LYS 59 3HD LYS 59 -11.525 5.068 -3.412 475 1HE LYS 59 2HE LYS 59 -13.768 4.178 -4.472 476 2HE LYS 59 3HE LYS 59 -14.289 3.914 -2.799 477 1HZ LYS 59 1HZ LYS 59 -13.524 6.480 -4.021 478 2HZ LYS 59 2HZ LYS 59 -15.030 6.022 -3.550 479 3HZ LYS 59 3HZ LYS 59 -13.862 6.290 -2.421 480 H GLN 60 H GLN 60 -7.551 3.418 -2.486 481 HA GLN 60 HA GLN 60 -7.356 5.218 -4.767 482 1HB GLN 60 2HB GLN 60 -5.507 4.725 -2.446 483 2HB GLN 60 3HB GLN 60 -5.309 6.031 -3.603 484 1HG GLN 60 2HG GLN 60 -6.833 6.084 -1.197 485 2HG GLN 60 3HG GLN 60 -6.581 7.370 -2.352 486 1HE2 GLN 60 2HE2 GLN 60 -8.142 7.532 -4.213 487 2HE2 GLN 60 1HE2 GLN 60 -9.796 7.039 -3.893 488 H ILE 61 H ILE 61 -5.419 2.362 -3.800 489 HA ILE 61 HA ILE 61 -3.455 2.720 -5.887 490 HB ILE 61 HB ILE 61 -4.179 0.388 -4.113 491 1HG1 ILE 61 2HG1 ILE 61 -1.861 2.370 -4.321 492 2HG1 ILE 61 3HG1 ILE 61 -3.154 2.488 -3.183 493 1HG2 ILE 61 1HG2 ILE 61 -2.061 0.611 -6.286 494 2HG2 ILE 61 2HG2 ILE 61 -2.032 -0.628 -5.010 495 3HG2 ILE 61 3HG2 ILE 61 -3.342 -0.602 -6.177 496 1HD1 ILE 61 1HD1 ILE 61 -1.089 0.287 -3.240 497 2HD1 ILE 61 2HD1 ILE 61 -1.306 1.563 -2.031 498 3HD1 ILE 61 3HD1 ILE 61 -2.545 0.301 -2.202 499 H GLU 62 H GLU 62 -6.064 0.163 -5.628 500 HA GLU 62 HA GLU 62 -6.059 -0.652 -8.258 501 1HB GLU 62 2HB GLU 62 -7.767 -0.820 -5.901 502 2HB GLU 62 3HB GLU 62 -8.764 -0.366 -7.234 503 1HG GLU 62 2HG GLU 62 -7.860 -2.356 -8.492 504 2HG GLU 62 3HG GLU 62 -6.856 -2.746 -7.083 505 H ALA 63 H ALA 63 -7.649 2.363 -6.984 506 HA ALA 63 HA ALA 63 -9.049 3.010 -9.324 507 1HB ALA 63 1HB ALA 63 -9.381 4.308 -7.331 508 2HB ALA 63 2HB ALA 63 -7.668 4.820 -7.328 509 3HB ALA 63 3HB ALA 63 -8.778 5.394 -8.588 510 H MET 64 H MET 64 -5.514 3.325 -8.757 511 HA MET 64 HA MET 64 -4.966 5.036 -10.981 512 1HB MET 64 2HB MET 64 -3.286 2.802 -9.789 513 2HB MET 64 3HB MET 64 -2.748 4.112 -10.843 514 1HG MET 64 2HG MET 64 -3.670 4.321 -7.970 515 2HG MET 64 3HG MET 64 -2.085 4.644 -8.661 516 1HE MET 64 1HE MET 64 -1.769 6.883 -7.450 517 2HE MET 64 2HE MET 64 -3.004 8.164 -7.439 518 3HE MET 64 3HE MET 64 -3.334 6.603 -6.639 519 H GLY 65 H GLY 65 -5.460 1.520 -10.628 520 1HA GLY 65 1HA GLY 65 -6.597 0.653 -12.744 521 2HA GLY 65 2HA GLY 65 -5.082 1.080 -13.562 522 H PHE 66 H PHE 66 -3.776 0.347 -10.782 523 HA PHE 66 HA PHE 66 -2.892 -2.220 -11.759 524 1HB PHE 66 2HB PHE 66 -2.202 -0.665 -9.272 525 2HB PHE 66 3HB PHE 66 -1.230 -1.969 -9.982 526 HD1 PHE 66 1HD PHE 66 -0.685 -1.448 -12.668 527 HD2 PHE 66 2HD PHE 66 -1.479 1.472 -9.610 528 HE1 PHE 66 1HE PHE 66 0.289 0.339 -14.099 529 HE2 PHE 66 2HE PHE 66 -0.498 3.247 -11.036 530 HZ PHE 66 HZ PHE 66 0.276 2.694 -13.323 531 HA PRO 67 HA PRO 67 -5.958 -4.097 -8.892 532 1HB PRO 67 2HB PRO 67 -5.671 -6.723 -9.562 533 2HB PRO 67 3HB PRO 67 -6.538 -5.557 -10.607 534 1HG PRO 67 2HG PRO 67 -3.660 -6.461 -10.839 535 2HG PRO 67 3HG PRO 67 -4.886 -6.407 -12.139 536 1HD PRO 67 2HD PRO 67 -3.062 -4.422 -11.766 537 2HD PRO 67 3HD PRO 67 -4.732 -4.043 -12.291 538 H ALA 68 H ALA 68 -5.594 -4.926 -6.785 539 HA ALA 68 HA ALA 68 -2.889 -5.915 -6.188 540 1HB ALA 68 1HB ALA 68 -2.535 -4.418 -4.424 541 2HB ALA 68 2HB ALA 68 -2.913 -3.435 -5.857 542 3HB ALA 68 3HB ALA 68 -4.145 -3.670 -4.593 543 H PHE 69 H PHE 69 -2.791 -7.418 -4.576 544 HA PHE 69 HA PHE 69 -5.418 -8.367 -3.468 545 1HB PHE 69 2HB PHE 69 -2.940 -9.701 -4.372 546 2HB PHE 69 3HB PHE 69 -3.968 -10.506 -3.197 547 HD1 PHE 69 1HD PHE 69 -3.501 -9.873 -6.729 548 HD2 PHE 69 2HD PHE 69 -6.444 -10.838 -3.718 549 HE1 PHE 69 1HE PHE 69 -4.926 -10.934 -8.451 550 HE2 PHE 69 2HE PHE 69 -7.864 -11.899 -5.451 551 HZ PHE 69 HZ PHE 69 -7.101 -11.963 -7.817 552 H VAL 70 H VAL 70 -5.182 -6.739 -1.814 553 HA VAL 70 HA VAL 70 -3.196 -6.805 0.263 554 HB VAL 70 HB VAL 70 -4.480 -4.914 -0.365 555 1HG1 VAL 70 1HG1 VAL 70 -6.667 -6.042 -0.568 556 2HG1 VAL 70 2HG1 VAL 70 -6.764 -6.051 1.208 557 3HG1 VAL 70 3HG1 VAL 70 -6.669 -4.507 0.332 558 1HG2 VAL 70 1HG2 VAL 70 -4.819 -5.623 2.561 559 2HG2 VAL 70 2HG2 VAL 70 -3.238 -5.235 1.834 560 3HG2 VAL 70 3HG2 VAL 70 -4.511 -4.021 1.853 561 H LYS 71 H LYS 71 -2.739 -8.783 1.210 562 HA LYS 71 HA LYS 71 -4.788 -9.750 3.029 563 1HB LYS 71 2HB LYS 71 -4.799 -11.999 2.238 564 2HB LYS 71 3HB LYS 71 -5.551 -10.858 1.110 565 1HG LYS 71 2HG LYS 71 -3.493 -10.772 -0.181 566 2HG LYS 71 3HG LYS 71 -2.727 -11.907 0.917 567 1HD LYS 71 2HD LYS 71 -4.706 -13.510 0.400 568 2HD LYS 71 3HD LYS 71 -5.126 -12.405 -0.923 569 1HE LYS 71 2HE LYS 71 -2.866 -12.802 -1.935 570 2HE LYS 71 3HE LYS 71 -2.465 -13.884 -0.587 571 1HZ LYS 71 1HZ LYS 71 -4.600 -14.332 -2.570 572 2HZ LYS 71 2HZ LYS 71 -3.169 -15.132 -2.484 573 3HZ LYS 71 3HZ LYS 71 -4.279 -15.313 -1.288 574 H LYS 72 H LYS 72 -2.581 -8.596 3.990 575 HA LYS 72 HA LYS 72 -1.657 -10.829 5.567 576 1HB LYS 72 2HB LYS 72 0.017 -10.613 3.553 577 2HB LYS 72 3HB LYS 72 0.468 -9.086 4.309 578 1HG LYS 72 2HG LYS 72 1.912 -10.204 5.635 579 2HG LYS 72 3HG LYS 72 0.545 -10.967 6.433 580 1HD LYS 72 2HD LYS 72 1.797 -12.785 5.728 581 2HD LYS 72 3HD LYS 72 0.554 -12.673 4.482 582 1HE LYS 72 2HE LYS 72 2.211 -11.406 3.034 583 2HE LYS 72 3HE LYS 72 3.400 -11.511 4.344 584 1HZ LYS 72 1HZ LYS 72 2.261 -13.810 2.916 585 2HZ LYS 72 2HZ LYS 72 3.789 -13.207 2.741 586 3HZ LYS 72 3HZ LYS 72 3.330 -13.887 4.165 587 H ILE 73 H ILE 73 -1.591 -9.995 7.675 588 HA ILE 73 HA ILE 73 -1.421 -7.025 8.034 589 HB ILE 73 HB ILE 73 -3.144 -9.016 9.544 590 1HG1 ILE 73 2HG1 ILE 73 -3.984 -6.788 7.629 591 2HG1 ILE 73 3HG1 ILE 73 -3.940 -8.495 7.174 592 1HG2 ILE 73 1HG2 ILE 73 -3.200 -5.970 9.683 593 2HG2 ILE 73 2HG2 ILE 73 -4.042 -7.119 10.739 594 3HG2 ILE 73 3HG2 ILE 73 -2.305 -6.934 10.858 595 1HD1 ILE 73 1HD1 ILE 73 -5.734 -7.297 9.305 596 2HD1 ILE 73 2HD1 ILE 73 -6.185 -7.856 7.690 597 3HD1 ILE 73 3HD1 ILE 73 -5.608 -9.027 8.895 598 H GLU 74 H GLU 74 0.915 -7.855 7.999 599 HA GLU 74 HA GLU 74 1.720 -9.354 10.432 600 1HB GLU 74 2HB GLU 74 2.386 -9.677 7.806 601 2HB GLU 74 3HB GLU 74 3.726 -8.674 8.319 602 1HG GLU 74 2HG GLU 74 4.573 -10.762 8.789 603 2HG GLU 74 3HG GLU 74 3.791 -10.471 10.345 604 H GLY 75 H GLY 75 0.977 -7.135 11.461 605 1HA GLY 75 1HA GLY 75 2.797 -4.873 11.245 606 2HA GLY 75 2HA GLY 75 1.546 -5.110 12.476 607 H ARG 76 H ARG 76 4.058 -3.988 13.214 608 HA ARG 76 HA ARG 76 4.876 -5.786 15.260 609 1HB ARG 76 2HB ARG 76 6.244 -6.525 13.245 610 2HB ARG 76 3HB ARG 76 6.946 -4.909 13.171 611 1HG ARG 76 2HG ARG 76 7.062 -6.507 15.750 612 2HG ARG 76 3HG ARG 76 8.119 -6.956 14.402 613 1HD ARG 76 2HD ARG 76 9.067 -4.693 14.333 614 2HD ARG 76 3HD ARG 76 8.060 -4.214 15.718 615 HE ARG 76 HE ARG 76 9.405 -6.516 16.525 616 1HH1 ARG 76 1HH2 ARG 76 10.188 -3.220 15.618 617 2HH1 ARG 76 2HH2 ARG 76 11.706 -3.146 16.463 618 1HH2 ARG 76 1HH1 ARG 76 11.399 -6.483 17.704 619 2HH2 ARG 76 2HH1 ARG 76 12.391 -5.062 17.717 Start of MODEL 2 1 1H GLY 1 1H GLY 1 2.316 4.477 16.107 2 2H GLY 1 2H GLY 1 3.211 3.872 17.401 3 3H GLY 1 3H GLY 1 3.652 3.564 15.813 4 1HA GLY 1 1HA GLY 1 2.703 1.630 16.550 5 2HA GLY 1 2HA GLY 1 1.231 2.513 17.035 6 H GLU 2 H GLU 2 1.841 0.427 14.757 7 HA GLU 2 HA GLU 2 0.431 1.675 12.583 8 1HB GLU 2 2HB GLU 2 2.464 1.407 11.066 9 2HB GLU 2 3HB GLU 2 2.454 2.823 12.095 10 1HG GLU 2 2HG GLU 2 3.871 0.517 13.340 11 2HG GLU 2 3HG GLU 2 4.556 1.070 11.820 12 H VAL 3 H VAL 3 0.102 0.118 10.887 13 HA VAL 3 HA VAL 3 0.817 -2.704 11.543 14 HB VAL 3 HB VAL 3 -1.765 -1.553 10.459 15 1HG1 VAL 3 1HG1 VAL 3 -2.691 -3.800 10.570 16 2HG1 VAL 3 2HG1 VAL 3 -1.363 -3.707 9.411 17 3HG1 VAL 3 3HG1 VAL 3 -1.088 -4.453 11.010 18 1HG2 VAL 3 1HG2 VAL 3 -1.657 -1.210 12.884 19 2HG2 VAL 3 2HG2 VAL 3 -2.709 -2.608 12.612 20 3HG2 VAL 3 3HG2 VAL 3 -1.038 -2.854 13.131 21 H VAL 4 H VAL 4 1.561 -3.799 9.865 22 HA VAL 4 HA VAL 4 2.100 -2.444 7.273 23 HB VAL 4 HB VAL 4 3.620 -4.247 8.947 24 1HG1 VAL 4 1HG1 VAL 4 4.375 -5.887 7.272 25 2HG1 VAL 4 2HG1 VAL 4 2.671 -6.140 7.646 26 3HG1 VAL 4 3HG1 VAL 4 3.139 -5.336 6.130 27 1HG2 VAL 4 1HG2 VAL 4 4.268 -3.135 6.224 28 2HG2 VAL 4 2HG2 VAL 4 4.556 -2.317 7.789 29 3HG2 VAL 4 3HG2 VAL 4 5.421 -3.800 7.393 30 H LEU 5 H LEU 5 0.913 -3.072 5.500 31 HA LEU 5 HA LEU 5 -0.408 -5.752 5.578 32 1HB LEU 5 2HB LEU 5 -1.250 -3.243 4.072 33 2HB LEU 5 3HB LEU 5 -1.967 -4.849 3.927 34 HG LEU 5 HG LEU 5 -2.026 -3.052 6.391 35 1HD1 LEU 5 1HD1 LEU 5 -4.242 -4.142 4.612 36 2HD1 LEU 5 2HD1 LEU 5 -4.379 -2.942 5.912 37 3HD1 LEU 5 3HD1 LEU 5 -3.522 -2.545 4.387 38 1HD2 LEU 5 1HD2 LEU 5 -1.987 -5.444 7.128 39 2HD2 LEU 5 2HD2 LEU 5 -3.587 -4.739 7.345 40 3HD2 LEU 5 3HD2 LEU 5 -3.278 -5.806 5.961 41 H LYS 6 H LYS 6 -0.152 -6.961 3.719 42 HA LYS 6 HA LYS 6 1.908 -6.011 1.798 43 1HB LYS 6 2HB LYS 6 2.322 -8.058 3.601 44 2HB LYS 6 3HB LYS 6 1.612 -8.925 2.224 45 1HG LYS 6 2HG LYS 6 3.910 -9.007 1.864 46 2HG LYS 6 3HG LYS 6 3.355 -7.719 0.779 47 1HD LYS 6 2HD LYS 6 4.085 -6.024 2.477 48 2HD LYS 6 3HD LYS 6 4.574 -7.347 3.564 49 1HE LYS 6 2HE LYS 6 6.186 -8.159 1.832 50 2HE LYS 6 3HE LYS 6 5.706 -6.813 0.774 51 1HZ LYS 6 1HZ LYS 6 6.915 -6.437 3.420 52 2HZ LYS 6 2HZ LYS 6 7.725 -6.413 1.981 53 3HZ LYS 6 3HZ LYS 6 6.570 -5.281 2.270 54 H MET 7 H MET 7 0.971 -5.701 -0.091 55 HA MET 7 HA MET 7 -1.332 -7.340 -0.927 56 1HB MET 7 2HB MET 7 -1.647 -5.166 -2.388 57 2HB MET 7 3HB MET 7 -2.335 -5.321 -0.773 58 1HG MET 7 2HG MET 7 -0.560 -4.004 0.212 59 2HG MET 7 3HG MET 7 0.248 -3.937 -1.359 60 1HE MET 7 1HE MET 7 -2.272 -2.393 1.039 61 2HE MET 7 2HE MET 7 -3.316 -1.400 -0.008 62 3HE MET 7 3HE MET 7 -3.462 -3.164 -0.031 63 H LYS 8 H LYS 8 -0.892 -8.589 -2.616 64 HA LYS 8 HA LYS 8 1.660 -8.334 -4.099 65 1HB LYS 8 2HB LYS 8 -0.774 -10.126 -4.439 66 2HB LYS 8 3HB LYS 8 0.536 -10.049 -5.606 67 1HG LYS 8 2HG LYS 8 0.788 -11.893 -4.126 68 2HG LYS 8 3HG LYS 8 2.143 -10.744 -4.003 69 1HD LYS 8 2HD LYS 8 1.321 -9.899 -1.887 70 2HD LYS 8 3HD LYS 8 -0.159 -10.870 -1.993 71 1HE LYS 8 2HE LYS 8 0.907 -12.762 -1.231 72 2HE LYS 8 3HE LYS 8 2.326 -12.481 -2.254 73 1HZ LYS 8 1HZ LYS 8 1.854 -11.108 0.307 74 2HZ LYS 8 2HZ LYS 8 2.950 -12.313 0.018 75 3HZ LYS 8 3HZ LYS 8 3.119 -10.875 -0.696 76 H VAL 9 H VAL 9 1.828 -7.378 -6.263 77 HA VAL 9 HA VAL 9 -0.669 -6.174 -7.321 78 HB VAL 9 HB VAL 9 0.701 -4.266 -8.026 79 1HG1 VAL 9 1HG1 VAL 9 0.422 -4.577 -5.009 80 2HG1 VAL 9 2HG1 VAL 9 0.594 -3.036 -5.875 81 3HG1 VAL 9 3HG1 VAL 9 -0.836 -4.044 -6.146 82 1HG2 VAL 9 1HG2 VAL 9 2.760 -5.206 -6.001 83 2HG2 VAL 9 2HG2 VAL 9 2.961 -5.173 -7.770 84 3HG2 VAL 9 3HG2 VAL 9 2.778 -3.664 -6.870 85 H GLU 10 H GLU 10 -0.723 -6.122 -9.542 86 HA GLU 10 HA GLU 10 1.225 -7.961 -10.850 87 1HB GLU 10 2HB GLU 10 -1.504 -7.250 -11.873 88 2HB GLU 10 3HB GLU 10 -0.429 -8.562 -12.379 89 1HG GLU 10 2HG GLU 10 -1.755 -8.307 -9.650 90 2HG GLU 10 3HG GLU 10 -2.257 -9.397 -10.951 91 H GLY 11 H GLY 11 2.267 -7.221 -12.804 92 1HA GLY 11 1HA GLY 11 2.591 -5.937 -14.694 93 2HA GLY 11 2HA GLY 11 1.210 -4.925 -14.263 94 H MET 12 H MET 12 2.291 -4.233 -11.587 95 HA MET 12 HA MET 12 3.739 -1.892 -12.245 96 1HB MET 12 2HB MET 12 3.418 -3.354 -9.599 97 2HB MET 12 3HB MET 12 4.167 -1.755 -9.812 98 1HG MET 12 2HG MET 12 2.106 -0.820 -10.670 99 2HG MET 12 3HG MET 12 1.343 -2.399 -10.768 100 1HE MET 12 1HE MET 12 2.127 -0.344 -6.711 101 2HE MET 12 2HE MET 12 3.438 -1.092 -7.648 102 3HE MET 12 3HE MET 12 2.631 0.382 -8.258 103 H THR 13 H THR 13 5.441 -2.525 -13.562 104 HA THR 13 HA THR 13 7.896 -3.551 -12.233 105 HB THR 13 HB THR 13 6.747 -4.374 -14.903 106 HG1 THR 13 1HG THR 13 6.510 -5.346 -12.287 107 1HG2 THR 13 1HG2 THR 13 9.095 -5.382 -13.248 108 2HG2 THR 13 2HG2 THR 13 8.368 -6.279 -14.602 109 3HG2 THR 13 3HG2 THR 13 9.148 -4.723 -14.902 110 H CYS 14 HN CYS 14 7.498 -0.805 -12.418 111 HA CYS 14 HA CYS 14 9.918 -0.185 -13.785 112 1HB CYS 14 2HB CYS 14 9.102 1.548 -15.266 113 2HB CYS 14 3HB CYS 14 8.354 0.025 -15.729 114 H HIS 15 H HIS 15 10.606 2.018 -13.156 115 HA HIS 15 HA HIS 15 9.664 2.741 -10.482 116 1HB HIS 15 2HB HIS 15 11.840 3.843 -12.295 117 2HB HIS 15 3HB HIS 15 11.485 4.478 -10.689 118 HD1 HIS 15 1HD HIS 15 12.534 3.295 -8.660 119 HD2 HIS 15 2HD HIS 15 12.772 1.161 -12.280 120 HE1 HIS 15 1HE HIS 15 14.073 1.302 -8.236 121 H SER 16 H SER 16 7.559 3.024 -12.212 122 HA SER 16 HA SER 16 7.058 5.961 -12.037 123 1HB SER 16 2HB SER 16 6.531 4.213 -14.452 124 2HB SER 16 3HB SER 16 5.530 5.624 -14.085 125 HG SER 16 HG SER 16 7.303 6.167 -15.420 126 H CYS 17 HN CYS 17 5.364 2.801 -12.702 127 HA CYS 17 HA CYS 17 2.945 3.591 -11.592 128 1HB CYS 17 2HB CYS 17 4.082 0.766 -11.444 129 2HB CYS 17 3HB CYS 17 2.394 1.281 -11.449 130 H THR 18 H THR 18 5.490 1.676 -9.929 131 HA THR 18 HA THR 18 4.395 1.742 -7.347 132 HB THR 18 HB THR 18 6.222 0.267 -7.790 133 HG1 THR 18 1HG THR 18 7.304 0.692 -5.879 134 1HG2 THR 18 1HG2 THR 18 8.188 2.591 -7.940 135 2HG2 THR 18 2HG2 THR 18 8.467 0.885 -8.255 136 3HG2 THR 18 3HG2 THR 18 7.515 1.835 -9.401 137 H SER 19 H SER 19 6.800 3.988 -8.729 138 HA SER 19 HA SER 19 7.101 5.597 -6.445 139 1HB SER 19 2HB SER 19 8.586 5.516 -8.485 140 2HB SER 19 3HB SER 19 7.370 6.462 -9.372 141 HG SER 19 HG SER 19 9.092 7.706 -8.396 142 H THR 20 H THR 20 4.740 5.872 -9.123 143 HA THR 20 HA THR 20 3.622 8.364 -8.293 144 HB THR 20 HB THR 20 2.339 6.064 -9.830 145 HG1 THR 20 1HG THR 20 4.154 6.872 -10.844 146 1HG2 THR 20 1HG2 THR 20 1.597 9.020 -9.601 147 2HG2 THR 20 2HG2 THR 20 0.880 7.868 -10.745 148 3HG2 THR 20 3HG2 THR 20 0.622 7.653 -9.005 149 H ILE 21 H ILE 21 2.746 4.919 -7.471 150 HA ILE 21 HA ILE 21 0.559 5.659 -5.762 151 HB ILE 21 HB ILE 21 2.158 3.220 -6.410 152 1HG1 ILE 21 2HG1 ILE 21 -0.210 2.213 -6.077 153 2HG1 ILE 21 3HG1 ILE 21 -0.767 3.889 -6.007 154 1HG2 ILE 21 1HG2 ILE 21 1.384 1.909 -4.565 155 2HG2 ILE 21 2HG2 ILE 21 2.529 3.161 -4.094 156 3HG2 ILE 21 3HG2 ILE 21 0.788 3.377 -3.737 157 1HD1 ILE 21 1HD1 ILE 21 0.890 2.583 -8.194 158 2HD1 ILE 21 2HD1 ILE 21 -0.858 2.890 -8.272 159 3HD1 ILE 21 3HD1 ILE 21 0.288 4.263 -8.246 160 H GLU 22 H GLU 22 4.002 4.939 -5.091 161 HA GLU 22 HA GLU 22 3.894 5.303 -2.361 162 1HB GLU 22 2HB GLU 22 5.942 4.874 -4.346 163 2HB GLU 22 3HB GLU 22 6.511 6.168 -3.313 164 1HG GLU 22 2HG GLU 22 5.981 4.743 -1.320 165 2HG GLU 22 3HG GLU 22 5.334 3.499 -2.418 166 H GLY 23 H GLY 23 4.680 7.778 -4.803 167 1HA GLY 23 1HA GLY 23 4.846 10.024 -3.125 168 2HA GLY 23 2HA GLY 23 4.321 10.031 -4.818 169 H LYS 24 H LYS 24 1.890 8.651 -4.798 170 HA LYS 24 HA LYS 24 0.205 10.724 -3.883 171 1HB LYS 24 2HB LYS 24 -0.099 8.794 -5.728 172 2HB LYS 24 3HB LYS 24 -0.885 7.958 -4.408 173 1HG LYS 24 2HG LYS 24 -2.733 9.045 -5.082 174 2HG LYS 24 3HG LYS 24 -2.096 10.458 -4.257 175 1HD LYS 24 2HD LYS 24 -1.655 9.705 -7.196 176 2HD LYS 24 3HD LYS 24 -2.820 10.904 -6.614 177 1HE LYS 24 2HE LYS 24 -0.991 12.342 -5.822 178 2HE LYS 24 3HE LYS 24 0.215 11.111 -6.237 179 1HZ LYS 24 1HZ LYS 24 -1.510 12.465 -8.196 180 2HZ LYS 24 2HZ LYS 24 0.077 12.796 -7.917 181 3HZ LYS 24 3HZ LYS 24 -0.357 11.339 -8.526 182 H ILE 25 H ILE 25 0.527 7.410 -2.684 183 HA ILE 25 HA ILE 25 -1.207 7.677 -0.442 184 HB ILE 25 HB ILE 25 1.052 5.748 -0.912 185 1HG1 ILE 25 2HG1 ILE 25 -0.724 5.633 -2.634 186 2HG1 ILE 25 3HG1 ILE 25 -0.436 4.162 -1.702 187 1HG2 ILE 25 1HG2 ILE 25 -0.209 4.328 0.784 188 2HG2 ILE 25 2HG2 ILE 25 0.650 5.726 1.443 189 3HG2 ILE 25 3HG2 ILE 25 -1.106 5.796 1.215 190 1HD1 ILE 25 1HD1 ILE 25 -2.640 6.148 -1.117 191 2HD1 ILE 25 2HD1 ILE 25 -2.837 4.640 -2.028 192 3HD1 ILE 25 3HD1 ILE 25 -2.364 4.580 -0.318 193 H GLY 26 H GLY 26 2.301 8.250 -0.821 194 1HA GLY 26 1HA GLY 26 3.131 8.785 1.726 195 2HA GLY 26 2HA GLY 26 3.636 9.701 0.296 196 H LYS 27 H LYS 27 0.960 10.915 -0.242 197 HA LYS 27 HA LYS 27 1.265 13.101 1.629 198 1HB LYS 27 2HB LYS 27 1.125 13.307 -0.841 199 2HB LYS 27 3HB LYS 27 -0.549 12.715 -0.792 200 1HG LYS 27 2HG LYS 27 -1.319 14.630 0.330 201 2HG LYS 27 3HG LYS 27 0.295 15.011 0.947 202 1HD LYS 27 2HD LYS 27 -0.177 16.669 -0.706 203 2HD LYS 27 3HD LYS 27 1.057 15.575 -1.345 204 1HE LYS 27 2HE LYS 27 -1.064 14.314 -2.403 205 2HE LYS 27 3HE LYS 27 -1.879 15.852 -2.099 206 1HZ LYS 27 1HZ LYS 27 0.530 15.421 -3.738 207 2HZ LYS 27 2HZ LYS 27 -0.976 15.798 -4.289 208 3HZ LYS 27 3HZ LYS 27 -0.116 16.904 -3.426 209 H LEU 28 H LEU 28 -0.577 10.214 1.810 210 HA LEU 28 HA LEU 28 -3.120 11.367 2.627 211 1HB LEU 28 2HB LEU 28 -2.062 8.602 2.775 212 2HB LEU 28 3HB LEU 28 -3.693 9.154 3.130 213 HG LEU 28 HG LEU 28 -2.298 9.342 0.416 214 1HD1 LEU 28 1HD1 LEU 28 -3.272 7.185 1.180 215 2HD1 LEU 28 2HD1 LEU 28 -4.807 8.050 1.478 216 3HD1 LEU 28 3HD1 LEU 28 -4.187 7.870 -0.190 217 1HD2 LEU 28 1HD2 LEU 28 -4.983 10.520 1.247 218 2HD2 LEU 28 2HD2 LEU 28 -3.609 11.378 0.496 219 3HD2 LEU 28 3HD2 LEU 28 -4.517 10.188 -0.431 220 H GLN 29 H GLN 29 -3.991 11.274 4.660 221 HA GLN 29 HA GLN 29 -2.074 11.505 6.884 222 1HB GLN 29 2HB GLN 29 -3.905 12.538 8.126 223 2HB GLN 29 3HB GLN 29 -3.528 13.375 6.613 224 1HG GLN 29 2HG GLN 29 -5.487 12.246 5.533 225 2HG GLN 29 3HG GLN 29 -5.858 11.477 7.088 226 1HE2 GLN 29 2HE2 GLN 29 -7.995 12.561 6.802 227 2HE2 GLN 29 1HE2 GLN 29 -8.123 14.250 7.266 228 H GLY 30 H GLY 30 -1.786 9.840 8.264 229 1HA GLY 30 1HA GLY 30 -3.056 8.252 9.803 230 2HA GLY 30 2HA GLY 30 -3.832 7.638 8.357 231 H VAL 31 H VAL 31 -1.145 8.241 6.915 232 HA VAL 31 HA VAL 31 -0.227 5.524 7.311 233 HB VAL 31 HB VAL 31 0.457 7.766 5.327 234 1HG1 VAL 31 1HG1 VAL 31 2.322 6.126 5.327 235 2HG1 VAL 31 2HG1 VAL 31 1.160 4.792 5.120 236 3HG1 VAL 31 3HG1 VAL 31 1.393 5.992 3.837 237 1HG2 VAL 31 1HG2 VAL 31 -1.378 5.355 4.988 238 2HG2 VAL 31 2HG2 VAL 31 -1.875 7.057 5.079 239 3HG2 VAL 31 3HG2 VAL 31 -0.929 6.492 3.703 240 H GLN 32 H GLN 32 1.962 4.916 7.560 241 HA GLN 32 HA GLN 32 3.666 6.896 9.039 242 1HB GLN 32 2HB GLN 32 3.050 3.984 9.561 243 2HB GLN 32 3HB GLN 32 4.458 4.799 10.241 244 1HG GLN 32 2HG GLN 32 2.074 6.434 10.657 245 2HG GLN 32 3HG GLN 32 1.817 4.811 11.283 246 1HE2 GLN 32 2HE2 GLN 32 2.485 4.584 13.448 247 2HE2 GLN 32 1HE2 GLN 32 3.964 5.337 14.023 248 H ARG 33 H ARG 33 3.600 4.056 6.781 249 HA ARG 33 HA ARG 33 5.930 5.037 5.411 250 1HB ARG 33 2HB ARG 33 6.636 3.626 7.654 251 2HB ARG 33 3HB ARG 33 6.443 2.295 6.509 252 1HG ARG 33 2HG ARG 33 8.056 3.403 4.964 253 2HG ARG 33 3HG ARG 33 8.132 4.798 6.064 254 1HD ARG 33 2HD ARG 33 9.001 3.291 7.850 255 2HD ARG 33 3HD ARG 33 9.039 1.956 6.667 256 HE ARG 33 HE ARG 33 10.417 4.182 5.570 257 1HH1 ARG 33 1HH2 ARG 33 10.794 1.879 8.203 258 2HH1 ARG 33 2HH2 ARG 33 12.521 2.014 8.312 259 1HH2 ARG 33 1HH1 ARG 33 12.713 4.442 5.700 260 2HH2 ARG 33 2HH1 ARG 33 13.639 3.512 6.831 261 H ILE 34 H ILE 34 6.542 3.388 3.678 262 HA ILE 34 HA ILE 34 4.417 1.690 2.787 263 HB ILE 34 HB ILE 34 3.450 3.810 2.260 264 1HG1 ILE 34 2HG1 ILE 34 4.837 2.927 -0.252 265 2HG1 ILE 34 3HG1 ILE 34 3.648 1.919 0.534 266 1HG2 ILE 34 1HG2 ILE 34 5.341 5.344 2.481 267 2HG2 ILE 34 2HG2 ILE 34 6.099 4.671 1.027 268 3HG2 ILE 34 3HG2 ILE 34 4.579 5.578 0.921 269 1HD1 ILE 34 1HD1 ILE 34 3.069 4.756 -0.413 270 2HD1 ILE 34 2HD1 ILE 34 2.588 3.273 -1.263 271 3HD1 ILE 34 3HD1 ILE 34 1.929 3.637 0.343 272 H LYS 35 H LYS 35 5.316 0.295 1.315 273 HA LYS 35 HA LYS 35 7.922 0.821 0.224 274 1HB LYS 35 2HB LYS 35 7.582 -1.109 2.477 275 2HB LYS 35 3HB LYS 35 8.517 -1.658 1.085 276 1HG LYS 35 2HG LYS 35 9.094 0.830 2.728 277 2HG LYS 35 3HG LYS 35 9.871 -0.750 2.910 278 1HD LYS 35 2HD LYS 35 10.568 -0.613 0.471 279 2HD LYS 35 3HD LYS 35 9.960 1.060 0.476 280 1HE LYS 35 2HE LYS 35 11.545 1.670 2.258 281 2HE LYS 35 3HE LYS 35 12.160 0.006 2.308 282 1HZ LYS 35 1HZ LYS 35 12.305 1.806 -0.025 283 2HZ LYS 35 2HZ LYS 35 13.555 1.442 0.981 284 3HZ LYS 35 3HZ LYS 35 12.893 0.272 0.038 285 H VAL 36 H VAL 36 6.957 0.917 -1.743 286 HA VAL 36 HA VAL 36 5.329 -1.387 -2.601 287 HB VAL 36 HB VAL 36 5.743 1.356 -3.765 288 1HG1 VAL 36 1HG1 VAL 36 5.141 -0.357 -5.538 289 2HG1 VAL 36 2HG1 VAL 36 3.747 -0.819 -4.564 290 3HG1 VAL 36 3HG1 VAL 36 3.850 0.819 -5.227 291 1HG2 VAL 36 1HG2 VAL 36 4.463 1.097 -1.545 292 2HG2 VAL 36 2HG2 VAL 36 3.554 1.796 -2.870 293 3HG2 VAL 36 3HG2 VAL 36 3.295 0.107 -2.420 294 H SER 37 H SER 37 6.549 -3.139 -3.417 295 HA SER 37 HA SER 37 9.136 -2.579 -4.657 296 1HB SER 37 2HB SER 37 7.791 -5.217 -4.488 297 2HB SER 37 3HB SER 37 9.514 -4.858 -4.541 298 HG SER 37 HG SER 37 8.551 -5.446 -2.414 299 H LEU 38 H LEU 38 9.433 -3.964 -6.739 300 HA LEU 38 HA LEU 38 7.081 -3.907 -8.515 301 1HB LEU 38 2HB LEU 38 8.441 -2.870 -10.263 302 2HB LEU 38 3HB LEU 38 7.931 -1.800 -8.972 303 HG LEU 38 HG LEU 38 10.736 -2.922 -9.238 304 1HD1 LEU 38 1HD1 LEU 38 11.297 -0.676 -10.062 305 2HD1 LEU 38 2HD1 LEU 38 10.142 -1.492 -11.126 306 3HD1 LEU 38 3HD1 LEU 38 9.579 -0.227 -10.013 307 1HD2 LEU 38 1HD2 LEU 38 10.588 -2.275 -6.972 308 2HD2 LEU 38 2HD2 LEU 38 11.111 -0.777 -7.728 309 3HD2 LEU 38 3HD2 LEU 38 9.398 -1.004 -7.311 310 H ASP 39 H ASP 39 10.577 -4.730 -8.176 311 HA ASP 39 HA ASP 39 10.876 -6.584 -10.110 312 1HB ASP 39 2HB ASP 39 11.924 -7.122 -7.280 313 2HB ASP 39 3HB ASP 39 12.693 -7.443 -8.813 314 H ASN 40 H ASN 40 9.976 -7.319 -6.764 315 HA ASN 40 HA ASN 40 9.170 -9.982 -7.560 316 1HB ASN 40 2HB ASN 40 10.582 -9.532 -5.557 317 2HB ASN 40 3HB ASN 40 9.119 -8.872 -4.805 318 1HD2 ASN 40 2HD2 ASN 40 9.620 -10.661 -3.176 319 2HD2 ASN 40 1HD2 ASN 40 9.034 -12.271 -3.560 320 H GLN 41 H GLN 41 7.610 -7.420 -8.223 321 HA GLN 41 HA GLN 41 5.646 -6.411 -7.996 322 1HB GLN 41 2HB GLN 41 5.689 -9.005 -9.293 323 2HB GLN 41 3HB GLN 41 4.047 -8.673 -8.811 324 1HG GLN 41 2HG GLN 41 3.960 -6.661 -10.088 325 2HG GLN 41 3HG GLN 41 5.712 -6.558 -10.238 326 1HE2 GLN 41 2HE2 GLN 41 6.831 -8.396 -11.394 327 2HE2 GLN 41 1HE2 GLN 41 6.019 -8.972 -12.843 328 H GLU 42 H GLU 42 5.853 -6.109 -5.602 329 HA GLU 42 HA GLU 42 3.425 -7.056 -4.296 330 1HB GLU 42 2HB GLU 42 5.196 -8.789 -3.742 331 2HB GLU 42 3HB GLU 42 6.167 -7.493 -3.024 332 1HG GLU 42 2HG GLU 42 4.309 -7.039 -1.404 333 2HG GLU 42 3HG GLU 42 3.375 -8.351 -2.139 334 H ALA 43 H ALA 43 2.809 -5.644 -2.634 335 HA ALA 43 HA ALA 43 4.401 -3.175 -2.398 336 1HB ALA 43 1HB ALA 43 2.187 -1.939 -2.499 337 2HB ALA 43 2HB ALA 43 2.694 -2.717 -4.018 338 3HB ALA 43 3HB ALA 43 1.446 -3.461 -3.039 339 H THR 44 H THR 44 4.734 -2.468 -0.413 340 HA THR 44 HA THR 44 3.337 -3.713 1.881 341 HB THR 44 HB THR 44 5.767 -1.883 1.824 342 HG1 THR 44 1HG THR 44 6.370 -3.516 0.587 343 1HG2 THR 44 1HG2 THR 44 4.765 -3.966 3.819 344 2HG2 THR 44 2HG2 THR 44 6.293 -3.062 3.963 345 3HG2 THR 44 3HG2 THR 44 4.745 -2.202 4.012 346 H ILE 45 H ILE 45 1.816 -2.359 2.957 347 HA ILE 45 HA ILE 45 2.203 0.615 2.664 348 HB ILE 45 HB ILE 45 -0.410 -0.895 2.847 349 1HG1 ILE 45 2HG1 ILE 45 0.674 -1.118 0.583 350 2HG1 ILE 45 3HG1 ILE 45 -0.913 -0.328 0.597 351 1HG2 ILE 45 1HG2 ILE 45 -0.178 1.496 3.880 352 2HG2 ILE 45 2HG2 ILE 45 -0.149 2.075 2.239 353 3HG2 ILE 45 3HG2 ILE 45 -1.538 1.128 2.808 354 1HD1 ILE 45 1HD1 ILE 45 1.633 1.265 0.555 355 2HD1 ILE 45 2HD1 ILE 45 0.903 0.634 -0.927 356 3HD1 ILE 45 3HD1 ILE 45 0.006 1.784 0.073 357 H VAL 46 H VAL 46 2.577 1.538 4.633 358 HA VAL 46 HA VAL 46 1.941 -0.110 7.039 359 HB VAL 46 HB VAL 46 4.217 1.856 6.950 360 1HG1 VAL 46 1HG1 VAL 46 5.056 0.344 8.728 361 2HG1 VAL 46 2HG1 VAL 46 3.523 1.142 9.108 362 3HG1 VAL 46 3HG1 VAL 46 3.530 -0.564 8.633 363 1HG2 VAL 46 1HG2 VAL 46 4.827 0.464 5.113 364 2HG2 VAL 46 2HG2 VAL 46 5.691 -0.185 6.512 365 3HG2 VAL 46 3HG2 VAL 46 4.211 -0.977 5.924 366 H TYR 47 H TYR 47 0.208 0.790 8.096 367 HA TYR 47 HA TYR 47 0.229 3.718 8.509 368 1HB TYR 47 2HB TYR 47 -1.957 4.087 7.529 369 2HB TYR 47 3HB TYR 47 -0.917 3.375 6.304 370 HD1 TYR 47 1HD TYR 47 -1.232 0.991 5.647 371 HD2 TYR 47 2HD TYR 47 -3.885 2.880 8.456 372 HE1 TYR 47 1HE TYR 47 -3.018 -0.553 4.988 373 HE2 TYR 47 2HE TYR 47 -5.586 1.130 7.992 374 HH TYR 47 HH TYR 47 -5.224 -1.197 5.358 375 H GLN 48 H GLN 48 -1.741 4.418 9.683 376 HA GLN 48 HA GLN 48 -1.934 2.710 12.049 377 1HB GLN 48 2HB GLN 48 -1.074 5.067 12.034 378 2HB GLN 48 3HB GLN 48 -2.674 5.629 11.635 379 1HG GLN 48 2HG GLN 48 -3.615 4.776 13.715 380 2HG GLN 48 3HG GLN 48 -2.211 3.746 14.015 381 1HE2 GLN 48 2HE2 GLN 48 -3.172 7.205 13.868 382 2HE2 GLN 48 1HE2 GLN 48 -1.986 7.709 15.058 383 HA PRO 49 HA PRO 49 -5.966 1.765 10.102 384 1HB PRO 49 2HB PRO 49 -6.889 -0.064 11.963 385 2HB PRO 49 3HB PRO 49 -5.839 -0.406 10.562 386 1HG PRO 49 2HG PRO 49 -5.021 0.043 13.429 387 2HG PRO 49 3HG PRO 49 -4.414 -1.176 12.270 388 1HD PRO 49 2HD PRO 49 -3.050 1.076 12.817 389 2HD PRO 49 3HD PRO 49 -3.075 0.423 11.153 390 H HIS 50 H HIS 50 -5.397 2.874 13.380 391 HA HIS 50 HA HIS 50 -8.035 3.585 14.110 392 1HB HIS 50 2HB HIS 50 -5.379 3.894 15.169 393 2HB HIS 50 3HB HIS 50 -6.101 5.496 15.130 394 HD1 HIS 50 1HD HIS 50 -7.899 5.975 17.000 395 HD2 HIS 50 2HD HIS 50 -6.765 1.941 16.581 396 HE1 HIS 50 1HE HIS 50 -8.902 4.718 18.988 397 H LEU 51 H LEU 51 -5.960 5.038 11.673 398 HA LEU 51 HA LEU 51 -7.636 7.511 11.655 399 1HB LEU 51 2HB LEU 51 -4.885 6.991 10.671 400 2HB LEU 51 3HB LEU 51 -5.751 8.480 10.356 401 HG LEU 51 HG LEU 51 -5.144 7.450 13.162 402 1HD1 LEU 51 1HD1 LEU 51 -3.501 9.327 13.255 403 2HD1 LEU 51 2HD1 LEU 51 -3.066 8.138 12.015 404 3HD1 LEU 51 3HD1 LEU 51 -3.822 9.682 11.549 405 1HD2 LEU 51 1HD2 LEU 51 -5.745 9.765 13.865 406 2HD2 LEU 51 2HD2 LEU 51 -6.260 10.124 12.207 407 3HD2 LEU 51 3HD2 LEU 51 -7.124 8.919 13.186 408 H ILE 52 H ILE 52 -5.880 5.425 9.251 409 HA ILE 52 HA ILE 52 -8.113 5.907 7.376 410 HB ILE 52 HB ILE 52 -5.603 6.942 7.184 411 1HG1 ILE 52 2HG1 ILE 52 -5.895 6.902 4.718 412 2HG1 ILE 52 3HG1 ILE 52 -7.324 5.871 5.020 413 1HG2 ILE 52 1HG2 ILE 52 -5.339 4.303 5.666 414 2HG2 ILE 52 2HG2 ILE 52 -4.177 5.644 5.738 415 3HG2 ILE 52 3HG2 ILE 52 -4.504 4.719 7.202 416 1HD1 ILE 52 1HD1 ILE 52 -6.913 8.683 6.162 417 2HD1 ILE 52 2HD1 ILE 52 -7.804 8.354 4.673 418 3HD1 ILE 52 3HD1 ILE 52 -8.416 7.742 6.217 419 H SER 53 H SER 53 -8.349 4.061 5.753 420 HA SER 53 HA SER 53 -7.930 1.469 7.189 421 1HB SER 53 2HB SER 53 -10.249 0.973 6.496 422 2HB SER 53 3HB SER 53 -10.162 2.427 7.508 423 HG SER 53 HG SER 53 -11.430 2.880 5.696 424 H VAL 54 H VAL 54 -8.208 -0.439 5.850 425 HA VAL 54 HA VAL 54 -6.641 -0.683 3.613 426 HB VAL 54 HB VAL 54 -9.148 -2.249 4.288 427 1HG1 VAL 54 1HG1 VAL 54 -8.090 -4.014 2.775 428 2HG1 VAL 54 2HG1 VAL 54 -8.714 -2.612 1.907 429 3HG1 VAL 54 3HG1 VAL 54 -6.967 -2.750 2.218 430 1HG2 VAL 54 1HG2 VAL 54 -6.221 -2.983 4.564 431 2HG2 VAL 54 2HG2 VAL 54 -7.250 -2.474 5.940 432 3HG2 VAL 54 3HG2 VAL 54 -7.583 -3.980 5.066 433 H GLU 55 H GLU 55 -10.132 0.147 3.667 434 HA GLU 55 HA GLU 55 -10.464 -0.035 0.874 435 1HB GLU 55 2HB GLU 55 -12.304 0.073 2.612 436 2HB GLU 55 3HB GLU 55 -11.942 1.798 2.721 437 1HG GLU 55 2HG GLU 55 -13.887 1.419 1.316 438 2HG GLU 55 3HG GLU 55 -12.502 1.911 0.343 439 H GLU 56 H GLU 56 -9.107 2.668 2.816 440 HA GLU 56 HA GLU 56 -9.461 4.582 0.658 441 1HB GLU 56 2HB GLU 56 -8.799 4.707 3.443 442 2HB GLU 56 3HB GLU 56 -7.378 5.303 2.569 443 1HG GLU 56 2HG GLU 56 -10.219 6.292 2.082 444 2HG GLU 56 3HG GLU 56 -9.043 7.067 3.143 445 H MET 57 H MET 57 -6.712 2.759 2.162 446 HA MET 57 HA MET 57 -4.693 3.230 0.403 447 1HB MET 57 2HB MET 57 -5.393 0.624 1.613 448 2HB MET 57 3HB MET 57 -3.849 1.137 0.957 449 1HG MET 57 2HG MET 57 -5.215 2.317 3.377 450 2HG MET 57 3HG MET 57 -3.854 1.224 3.330 451 1HE MET 57 1HE MET 57 -5.145 4.761 3.402 452 2HE MET 57 2HE MET 57 -3.752 5.776 2.997 453 3HE MET 57 3HE MET 57 -4.660 4.975 1.707 454 H LYS 58 H LYS 58 -7.077 0.548 0.058 455 HA LYS 58 HA LYS 58 -6.144 -0.201 -2.532 456 1HB LYS 58 2HB LYS 58 -6.954 -1.861 -1.606 457 2HB LYS 58 3HB LYS 58 -8.374 -1.096 -0.769 458 1HG LYS 58 2HG LYS 58 -8.347 -1.404 -3.787 459 2HG LYS 58 3HG LYS 58 -8.421 -2.871 -2.872 460 1HD LYS 58 2HD LYS 58 -10.371 -0.573 -2.396 461 2HD LYS 58 3HD LYS 58 -10.629 -1.859 -3.585 462 1HE LYS 58 2HE LYS 58 -10.398 -3.574 -1.732 463 2HE LYS 58 3HE LYS 58 -10.331 -2.236 -0.569 464 1HZ LYS 58 1HZ LYS 58 -12.605 -2.968 -2.287 465 2HZ LYS 58 2HZ LYS 58 -12.544 -2.838 -0.618 466 3HZ LYS 58 3HZ LYS 58 -12.485 -1.525 -1.506 467 H LYS 59 H LYS 59 -9.183 1.718 -1.703 468 HA LYS 59 HA LYS 59 -9.990 1.979 -4.324 469 1HB LYS 59 2HB LYS 59 -11.020 2.792 -2.031 470 2HB LYS 59 3HB LYS 59 -10.154 4.286 -2.385 471 1HG LYS 59 2HG LYS 59 -12.152 4.719 -3.431 472 2HG LYS 59 3HG LYS 59 -11.317 3.883 -4.755 473 1HD LYS 59 2HD LYS 59 -13.406 2.770 -4.696 474 2HD LYS 59 3HD LYS 59 -12.365 1.704 -3.734 475 1HE LYS 59 2HE LYS 59 -13.219 3.031 -1.659 476 2HE LYS 59 3HE LYS 59 -14.415 3.756 -2.741 477 1HZ LYS 59 1HZ LYS 59 -14.055 0.911 -2.110 478 2HZ LYS 59 2HZ LYS 59 -15.271 1.850 -1.579 479 3HZ LYS 59 3HZ LYS 59 -15.187 1.463 -3.185 480 H GLN 60 H GLN 60 -7.596 3.924 -2.440 481 HA GLN 60 HA GLN 60 -7.015 5.765 -4.580 482 1HB GLN 60 2HB GLN 60 -5.407 4.739 -2.256 483 2HB GLN 60 3HB GLN 60 -4.796 6.004 -3.327 484 1HG GLN 60 2HG GLN 60 -7.455 6.265 -1.839 485 2HG GLN 60 3HG GLN 60 -5.927 6.845 -1.201 486 1HE2 GLN 60 2HE2 GLN 60 -8.617 7.778 -2.935 487 2HE2 GLN 60 1HE2 GLN 60 -7.934 9.141 -3.816 488 H ILE 61 H ILE 61 -5.434 2.649 -3.682 489 HA ILE 61 HA ILE 61 -3.483 2.818 -5.802 490 HB ILE 61 HB ILE 61 -4.334 0.550 -4.004 491 1HG1 ILE 61 2HG1 ILE 61 -1.963 2.490 -4.130 492 2HG1 ILE 61 3HG1 ILE 61 -3.257 2.576 -2.982 493 1HG2 ILE 61 1HG2 ILE 61 -2.024 0.697 -6.001 494 2HG2 ILE 61 2HG2 ILE 61 -2.282 -0.601 -4.812 495 3HG2 ILE 61 3HG2 ILE 61 -3.422 -0.385 -6.126 496 1HD1 ILE 61 1HD1 ILE 61 -1.190 0.388 -3.148 497 2HD1 ILE 61 2HD1 ILE 61 -1.454 1.575 -1.859 498 3HD1 ILE 61 3HD1 ILE 61 -2.663 0.301 -2.136 499 H GLU 62 H GLU 62 -6.290 0.468 -5.467 500 HA GLU 62 HA GLU 62 -6.209 -0.439 -8.074 501 1HB GLU 62 2HB GLU 62 -7.911 -0.645 -5.784 502 2HB GLU 62 3HB GLU 62 -8.940 -0.095 -7.077 503 1HG GLU 62 2HG GLU 62 -8.012 -2.017 -8.445 504 2HG GLU 62 3HG GLU 62 -7.106 -2.544 -7.020 505 H ALA 63 H ALA 63 -7.623 2.716 -6.929 506 HA ALA 63 HA ALA 63 -9.029 3.308 -9.304 507 1HB ALA 63 1HB ALA 63 -8.570 5.713 -8.727 508 2HB ALA 63 2HB ALA 63 -9.275 4.761 -7.418 509 3HB ALA 63 3HB ALA 63 -7.523 5.137 -7.415 510 H MET 64 H MET 64 -5.481 3.408 -8.747 511 HA MET 64 HA MET 64 -4.840 4.933 -11.079 512 1HB MET 64 2HB MET 64 -3.217 2.747 -9.709 513 2HB MET 64 3HB MET 64 -2.647 4.003 -10.807 514 1HG MET 64 2HG MET 64 -3.635 4.319 -7.968 515 2HG MET 64 3HG MET 64 -2.054 4.690 -8.640 516 1HE MET 64 1HE MET 64 -3.221 8.094 -7.319 517 2HE MET 64 2HE MET 64 -3.352 6.471 -6.620 518 3HE MET 64 3HE MET 64 -1.828 6.983 -7.390 519 H GLY 65 H GLY 65 -5.766 1.566 -10.543 520 1HA GLY 65 1HA GLY 65 -6.942 0.568 -12.450 521 2HA GLY 65 2HA GLY 65 -5.556 0.972 -13.477 522 H PHE 66 H PHE 66 -4.026 0.328 -10.735 523 HA PHE 66 HA PHE 66 -3.096 -2.212 -11.712 524 1HB PHE 66 2HB PHE 66 -2.446 -0.576 -9.269 525 2HB PHE 66 3HB PHE 66 -1.424 -1.879 -9.922 526 HD1 PHE 66 1HD PHE 66 -0.442 0.860 -9.292 527 HD2 PHE 66 2HD PHE 66 -2.049 -0.722 -12.967 528 HE1 PHE 66 1HE PHE 66 0.409 2.848 -10.545 529 HE2 PHE 66 2HE PHE 66 -1.207 1.242 -14.183 530 HZ PHE 66 HZ PHE 66 -0.046 3.064 -12.968 531 HA PRO 67 HA PRO 67 -5.965 -4.321 -8.861 532 1HB PRO 67 2HB PRO 67 -5.411 -6.918 -9.494 533 2HB PRO 67 3HB PRO 67 -6.344 -5.852 -10.585 534 1HG PRO 67 2HG PRO 67 -3.384 -6.470 -10.695 535 2HG PRO 67 3HG PRO 67 -4.558 -6.565 -12.039 536 1HD PRO 67 2HD PRO 67 -2.966 -4.401 -11.651 537 2HD PRO 67 3HD PRO 67 -4.653 -4.190 -12.218 538 H ALA 68 H ALA 68 -5.615 -5.171 -6.760 539 HA ALA 68 HA ALA 68 -2.862 -5.931 -6.045 540 1HB ALA 68 1HB ALA 68 -3.073 -3.499 -5.596 541 2HB ALA 68 2HB ALA 68 -4.469 -3.833 -4.545 542 3HB ALA 68 3HB ALA 68 -2.865 -4.479 -4.124 543 H PHE 69 H PHE 69 -2.738 -7.460 -4.405 544 HA PHE 69 HA PHE 69 -5.341 -8.519 -3.317 545 1HB PHE 69 2HB PHE 69 -2.808 -9.777 -4.172 546 2HB PHE 69 3HB PHE 69 -3.886 -10.603 -3.064 547 HD1 PHE 69 1HD PHE 69 -6.364 -10.913 -3.792 548 HD2 PHE 69 2HD PHE 69 -3.146 -10.020 -6.544 549 HE1 PHE 69 1HE PHE 69 -7.609 -12.022 -5.625 550 HE2 PHE 69 2HE PHE 69 -4.405 -11.114 -8.359 551 HZ PHE 69 HZ PHE 69 -6.633 -12.133 -7.907 552 H VAL 70 H VAL 70 -5.087 -6.841 -1.634 553 HA VAL 70 HA VAL 70 -3.116 -6.940 0.440 554 HB VAL 70 HB VAL 70 -4.446 -5.081 0.020 555 1HG1 VAL 70 1HG1 VAL 70 -6.761 -6.485 1.323 556 2HG1 VAL 70 2HG1 VAL 70 -6.690 -4.836 0.666 557 3HG1 VAL 70 3HG1 VAL 70 -6.584 -6.233 -0.428 558 1HG2 VAL 70 1HG2 VAL 70 -4.586 -4.393 2.261 559 2HG2 VAL 70 2HG2 VAL 70 -4.974 -6.024 2.852 560 3HG2 VAL 70 3HG2 VAL 70 -3.340 -5.652 2.272 561 H LYS 71 H LYS 71 -2.568 -8.957 1.302 562 HA LYS 71 HA LYS 71 -4.602 -10.234 2.950 563 1HB LYS 71 2HB LYS 71 -4.499 -12.358 1.997 564 2HB LYS 71 3HB LYS 71 -5.185 -11.177 0.878 565 1HG LYS 71 2HG LYS 71 -2.740 -10.981 0.026 566 2HG LYS 71 3HG LYS 71 -2.520 -12.520 0.864 567 1HD LYS 71 2HD LYS 71 -4.507 -13.444 -0.449 568 2HD LYS 71 3HD LYS 71 -4.557 -11.918 -1.339 569 1HE LYS 71 2HE LYS 71 -2.100 -12.425 -2.026 570 2HE LYS 71 3HE LYS 71 -2.360 -14.041 -1.349 571 1HZ LYS 71 1HZ LYS 71 -3.817 -12.835 -3.625 572 2HZ LYS 71 2HZ LYS 71 -2.739 -14.065 -3.681 573 3HZ LYS 71 3HZ LYS 71 -4.191 -14.289 -2.952 574 H LYS 72 H LYS 72 -2.665 -8.937 4.123 575 HA LYS 72 HA LYS 72 -1.357 -11.041 5.547 576 1HB LYS 72 2HB LYS 72 0.211 -10.365 3.464 577 2HB LYS 72 3HB LYS 72 0.418 -8.886 4.390 578 1HG LYS 72 2HG LYS 72 2.163 -9.882 5.363 579 2HG LYS 72 3HG LYS 72 1.023 -10.826 6.302 580 1HD LYS 72 2HD LYS 72 2.389 -11.608 3.700 581 2HD LYS 72 3HD LYS 72 2.674 -12.249 5.320 582 1HE LYS 72 2HE LYS 72 0.074 -12.888 5.206 583 2HE LYS 72 3HE LYS 72 0.302 -12.712 3.461 584 1HZ LYS 72 1HZ LYS 72 1.771 -14.537 5.241 585 2HZ LYS 72 2HZ LYS 72 0.605 -14.954 4.163 586 3HZ LYS 72 3HZ LYS 72 2.053 -14.383 3.627 587 H ILE 73 H ILE 73 -0.454 -10.176 7.579 588 HA ILE 73 HA ILE 73 -0.855 -7.358 8.177 589 HB ILE 73 HB ILE 73 -3.081 -8.110 8.382 590 1HG1 ILE 73 2HG1 ILE 73 -2.306 -8.030 11.285 591 2HG1 ILE 73 3HG1 ILE 73 -1.845 -6.669 10.248 592 1HG2 ILE 73 1HG2 ILE 73 -3.860 -9.872 9.890 593 2HG2 ILE 73 2HG2 ILE 73 -2.792 -10.537 8.656 594 3HG2 ILE 73 3HG2 ILE 73 -2.196 -10.299 10.310 595 1HD1 ILE 73 1HD1 ILE 73 -4.675 -7.755 10.472 596 2HD1 ILE 73 2HD1 ILE 73 -4.050 -6.313 11.308 597 3HD1 ILE 73 3HD1 ILE 73 -4.142 -6.344 9.531 598 H GLU 74 H GLU 74 1.491 -7.963 8.140 599 HA GLU 74 HA GLU 74 2.521 -9.341 10.545 600 1HB GLU 74 2HB GLU 74 3.787 -7.994 8.143 601 2HB GLU 74 3HB GLU 74 4.729 -8.429 9.565 602 1HG GLU 74 2HG GLU 74 4.264 -10.749 9.302 603 2HG GLU 74 3HG GLU 74 2.966 -10.452 8.131 604 H GLY 75 H GLY 75 1.627 -8.103 12.222 605 1HA GLY 75 1HA GLY 75 2.298 -5.249 12.533 606 2HA GLY 75 2HA GLY 75 1.627 -6.334 13.759 607 H ARG 76 H ARG 76 2.996 -7.203 15.244 608 HA ARG 76 HA ARG 76 4.824 -7.927 16.320 609 1HB ARG 76 2HB ARG 76 5.599 -8.660 13.889 610 2HB ARG 76 3HB ARG 76 6.716 -7.293 14.059 611 1HG ARG 76 2HG ARG 76 7.426 -8.359 16.300 612 2HG ARG 76 3HG ARG 76 6.446 -9.762 15.817 613 1HD ARG 76 2HD ARG 76 7.818 -9.713 13.612 614 2HD ARG 76 3HD ARG 76 8.885 -8.566 14.463 615 HE ARG 76 HE ARG 76 8.430 -10.947 16.026 616 1HH1 ARG 76 1HH2 ARG 76 10.278 -9.728 13.297 617 2HH1 ARG 76 2HH2 ARG 76 11.487 -10.974 13.321 618 1HH2 ARG 76 1HH1 ARG 76 9.966 -12.687 16.061 619 2HH2 ARG 76 2HH1 ARG 76 11.293 -12.708 14.946 Start of MODEL 3 1 1H GLY 1 1H GLY 1 2.120 -2.675 16.541 2 2H GLY 1 2H GLY 1 1.815 -2.150 18.043 3 3H GLY 1 3H GLY 1 0.640 -2.046 16.867 4 1HA GLY 1 1HA GLY 1 1.744 0.103 17.507 5 2HA GLY 1 2HA GLY 1 3.099 -0.539 16.552 6 H GLU 2 H GLU 2 2.894 0.756 14.750 7 HA GLU 2 HA GLU 2 0.646 1.202 13.038 8 1HB GLU 2 2HB GLU 2 2.426 1.299 11.303 9 2HB GLU 2 3HB GLU 2 2.752 2.360 12.673 10 1HG GLU 2 2HG GLU 2 4.005 -0.413 12.608 11 2HG GLU 2 3HG GLU 2 4.665 0.878 11.619 12 H VAL 3 H VAL 3 0.187 -0.119 10.976 13 HA VAL 3 HA VAL 3 0.820 -2.985 11.341 14 HB VAL 3 HB VAL 3 -1.260 -3.521 10.591 15 1HG1 VAL 3 1HG1 VAL 3 -1.546 -1.551 12.887 16 2HG1 VAL 3 2HG1 VAL 3 -2.631 -2.907 12.523 17 3HG1 VAL 3 3HG1 VAL 3 -0.962 -3.219 13.025 18 1HG2 VAL 3 1HG2 VAL 3 -1.870 -0.604 10.384 19 2HG2 VAL 3 2HG2 VAL 3 -1.834 -1.836 9.108 20 3HG2 VAL 3 3HG2 VAL 3 -3.108 -1.884 10.343 21 H VAL 4 H VAL 4 1.846 -3.896 9.663 22 HA VAL 4 HA VAL 4 2.147 -2.396 7.145 23 HB VAL 4 HB VAL 4 3.456 -4.777 8.316 24 1HG1 VAL 4 1HG1 VAL 4 3.248 -5.353 5.997 25 2HG1 VAL 4 2HG1 VAL 4 3.608 -3.682 5.507 26 3HG1 VAL 4 3HG1 VAL 4 4.886 -4.718 6.200 27 1HG2 VAL 4 1HG2 VAL 4 4.252 -2.587 9.102 28 2HG2 VAL 4 2HG2 VAL 4 5.485 -3.459 8.175 29 3HG2 VAL 4 3HG2 VAL 4 4.575 -2.150 7.404 30 H LEU 5 H LEU 5 0.687 -2.773 5.573 31 HA LEU 5 HA LEU 5 -0.826 -5.323 5.482 32 1HB LEU 5 2HB LEU 5 -1.996 -3.118 5.653 33 2HB LEU 5 3HB LEU 5 -1.208 -2.582 4.184 34 HG LEU 5 HG LEU 5 -3.528 -3.241 3.878 35 1HD1 LEU 5 1HD1 LEU 5 -1.937 -5.266 2.322 36 2HD1 LEU 5 2HD1 LEU 5 -3.296 -4.255 1.822 37 3HD1 LEU 5 3HD1 LEU 5 -1.707 -3.516 2.103 38 1HD2 LEU 5 1HD2 LEU 5 -2.741 -6.122 4.364 39 2HD2 LEU 5 2HD2 LEU 5 -3.309 -5.090 5.693 40 3HD2 LEU 5 3HD2 LEU 5 -4.371 -5.411 4.323 41 H LYS 6 H LYS 6 -0.373 -6.677 3.670 42 HA LYS 6 HA LYS 6 1.672 -5.699 1.754 43 1HB LYS 6 2HB LYS 6 2.099 -7.707 3.638 44 2HB LYS 6 3HB LYS 6 1.565 -8.595 2.196 45 1HG LYS 6 2HG LYS 6 3.845 -8.537 1.984 46 2HG LYS 6 3HG LYS 6 3.285 -7.261 0.891 47 1HD LYS 6 2HD LYS 6 3.889 -5.549 2.571 48 2HD LYS 6 3HD LYS 6 4.318 -6.824 3.738 49 1HE LYS 6 2HE LYS 6 6.075 -7.671 2.171 50 2HE LYS 6 3HE LYS 6 5.640 -6.400 1.013 51 1HZ LYS 6 1HZ LYS 6 6.656 -5.814 3.700 52 2HZ LYS 6 2HZ LYS 6 7.571 -5.893 2.327 53 3HZ LYS 6 3HZ LYS 6 6.382 -4.768 2.430 54 H MET 7 H MET 7 0.707 -5.466 -0.156 55 HA MET 7 HA MET 7 -1.452 -7.317 -0.966 56 1HB MET 7 2HB MET 7 -1.963 -5.268 -2.517 57 2HB MET 7 3HB MET 7 -2.581 -5.303 -0.861 58 1HG MET 7 2HG MET 7 -0.982 -3.812 -0.053 59 2HG MET 7 3HG MET 7 -0.022 -3.938 -1.523 60 1HE MET 7 1HE MET 7 -3.925 -3.273 -1.003 61 2HE MET 7 2HE MET 7 -3.084 -2.288 0.226 62 3HE MET 7 3HE MET 7 -3.921 -1.500 -1.128 63 H LYS 8 H LYS 8 -1.017 -8.485 -2.745 64 HA LYS 8 HA LYS 8 1.516 -8.043 -4.250 65 1HB LYS 8 2HB LYS 8 -0.780 -9.996 -4.458 66 2HB LYS 8 3HB LYS 8 0.299 -9.738 -5.830 67 1HG LYS 8 2HG LYS 8 0.933 -11.627 -4.472 68 2HG LYS 8 3HG LYS 8 2.200 -10.380 -4.555 69 1HD LYS 8 2HD LYS 8 1.640 -9.584 -2.319 70 2HD LYS 8 3HD LYS 8 0.249 -10.682 -2.221 71 1HE LYS 8 2HE LYS 8 1.777 -12.623 -2.172 72 2HE LYS 8 3HE LYS 8 3.154 -11.595 -2.619 73 1HZ LYS 8 1HZ LYS 8 1.729 -11.346 -0.055 74 2HZ LYS 8 2HZ LYS 8 3.192 -12.087 -0.301 75 3HZ LYS 8 3HZ LYS 8 3.047 -10.503 -0.564 76 H VAL 9 H VAL 9 1.603 -6.968 -6.313 77 HA VAL 9 HA VAL 9 -0.944 -5.823 -7.315 78 HB VAL 9 HB VAL 9 0.346 -3.771 -7.822 79 1HG1 VAL 9 1HG1 VAL 9 0.141 -2.758 -5.586 80 2HG1 VAL 9 2HG1 VAL 9 -1.226 -3.827 -5.938 81 3HG1 VAL 9 3HG1 VAL 9 0.066 -4.375 -4.849 82 1HG2 VAL 9 1HG2 VAL 9 2.433 -4.908 -5.922 83 2HG2 VAL 9 2HG2 VAL 9 2.616 -4.551 -7.659 84 3HG2 VAL 9 3HG2 VAL 9 2.379 -3.239 -6.493 85 H GLU 10 H GLU 10 -0.975 -5.723 -9.518 86 HA GLU 10 HA GLU 10 1.106 -7.383 -10.886 87 1HB GLU 10 2HB GLU 10 -1.727 -6.665 -11.699 88 2HB GLU 10 3HB GLU 10 -0.632 -7.718 -12.600 89 1HG GLU 10 2HG GLU 10 -1.552 -8.309 -9.738 90 2HG GLU 10 3HG GLU 10 -2.325 -8.941 -11.193 91 H GLY 11 H GLY 11 1.889 -6.715 -12.957 92 1HA GLY 11 1HA GLY 11 1.981 -5.419 -14.870 93 2HA GLY 11 2HA GLY 11 0.804 -4.304 -14.179 94 H MET 12 H MET 12 2.325 -3.547 -11.816 95 HA MET 12 HA MET 12 3.925 -1.460 -12.943 96 1HB MET 12 2HB MET 12 3.839 -2.539 -10.096 97 2HB MET 12 3HB MET 12 4.702 -1.079 -10.612 98 1HG MET 12 2HG MET 12 2.468 -0.283 -11.608 99 2HG MET 12 3HG MET 12 1.703 -1.570 -10.675 100 1HE MET 12 1HE MET 12 2.338 -0.396 -7.011 101 2HE MET 12 2HE MET 12 1.579 -1.599 -8.077 102 3HE MET 12 3HE MET 12 3.359 -1.529 -7.935 103 H THR 13 H THR 13 5.565 -2.117 -14.280 104 HA THR 13 HA THR 13 7.866 -3.567 -13.071 105 HB THR 13 HB THR 13 6.718 -3.799 -15.865 106 HG1 THR 13 1HG THR 13 6.528 -5.486 -13.597 107 1HG2 THR 13 1HG2 THR 13 8.919 -5.319 -14.416 108 2HG2 THR 13 2HG2 THR 13 8.085 -5.938 -15.862 109 3HG2 THR 13 3HG2 THR 13 9.033 -4.458 -15.971 110 H CYS 14 HN CYS 14 7.462 -0.656 -13.102 111 HA CYS 14 HA CYS 14 10.087 -0.112 -14.131 112 1HB CYS 14 2HB CYS 14 9.591 1.856 -15.368 113 2HB CYS 14 3HB CYS 14 8.587 0.586 -16.060 114 H HIS 15 H HIS 15 10.781 2.024 -13.110 115 HA HIS 15 HA HIS 15 9.964 1.901 -10.369 116 1HB HIS 15 2HB HIS 15 12.287 2.433 -11.335 117 2HB HIS 15 3HB HIS 15 11.702 4.097 -11.480 118 HD1 HIS 15 1HD HIS 15 12.018 1.335 -8.753 119 HD2 HIS 15 2HD HIS 15 11.851 5.516 -9.228 120 HE1 HIS 15 1HE HIS 15 12.386 2.348 -6.441 121 H SER 16 H SER 16 8.992 3.878 -13.117 122 HA SER 16 HA SER 16 8.147 6.186 -11.833 123 1HB SER 16 2HB SER 16 6.838 4.929 -14.273 124 2HB SER 16 3HB SER 16 6.921 6.643 -13.835 125 HG SER 16 HG SER 16 8.551 5.947 -15.376 126 H CYS 17 HN CYS 17 6.073 3.294 -12.670 127 HA CYS 17 HA CYS 17 3.732 4.379 -11.573 128 1HB CYS 17 2HB CYS 17 4.412 1.415 -11.660 129 2HB CYS 17 3HB CYS 17 2.822 2.184 -11.617 130 H THR 18 H THR 18 5.955 2.019 -10.076 131 HA THR 18 HA THR 18 4.804 1.869 -7.546 132 HB THR 18 HB THR 18 6.449 0.290 -8.071 133 HG1 THR 18 1HG THR 18 7.751 0.425 -6.237 134 1HG2 THR 18 1HG2 THR 18 8.629 2.401 -8.177 135 2HG2 THR 18 2HG2 THR 18 8.755 0.670 -8.505 136 3HG2 THR 18 3HG2 THR 18 7.850 1.694 -9.620 137 H SER 19 H SER 19 7.452 4.157 -8.504 138 HA SER 19 HA SER 19 7.476 5.548 -6.010 139 1HB SER 19 2HB SER 19 9.254 5.606 -7.747 140 2HB SER 19 3HB SER 19 8.185 6.553 -8.808 141 HG SER 19 HG SER 19 9.730 7.757 -7.446 142 H THR 20 H THR 20 5.524 6.129 -8.986 143 HA THR 20 HA THR 20 4.373 8.589 -8.134 144 HB THR 20 HB THR 20 3.257 6.414 -9.955 145 HG1 THR 20 1HG THR 20 5.147 7.341 -10.691 146 1HG2 THR 20 1HG2 THR 20 2.371 9.307 -9.564 147 2HG2 THR 20 2HG2 THR 20 1.859 8.245 -10.893 148 3HG2 THR 20 3HG2 THR 20 1.399 7.852 -9.230 149 H ILE 21 H ILE 21 3.271 5.157 -7.629 150 HA ILE 21 HA ILE 21 0.924 5.963 -6.177 151 HB ILE 21 HB ILE 21 2.365 3.457 -6.958 152 1HG1 ILE 21 2HG1 ILE 21 -0.610 3.933 -6.792 153 2HG1 ILE 21 3HG1 ILE 21 0.341 4.792 -8.003 154 1HG2 ILE 21 1HG2 ILE 21 0.902 2.078 -5.563 155 2HG2 ILE 21 2HG2 ILE 21 2.127 2.973 -4.642 156 3HG2 ILE 21 3HG2 ILE 21 0.424 3.540 -4.662 157 1HD1 ILE 21 1HD1 ILE 21 0.252 1.768 -7.759 158 2HD1 ILE 21 2HD1 ILE 21 -0.597 2.783 -8.945 159 3HD1 ILE 21 3HD1 ILE 21 1.170 2.727 -8.954 160 H GLU 22 H GLU 22 4.147 4.784 -5.135 161 HA GLU 22 HA GLU 22 3.858 4.949 -2.376 162 1HB GLU 22 2HB GLU 22 6.079 5.069 -4.341 163 2HB GLU 22 3HB GLU 22 6.450 6.016 -2.946 164 1HG GLU 22 2HG GLU 22 5.855 3.973 -1.523 165 2HG GLU 22 3HG GLU 22 5.646 3.076 -3.039 166 H GLY 23 H GLY 23 4.784 7.606 -4.592 167 1HA GLY 23 1HA GLY 23 4.813 9.727 -2.759 168 2HA GLY 23 2HA GLY 23 4.477 9.858 -4.494 169 H LYS 24 H LYS 24 2.059 8.745 -4.946 170 HA LYS 24 HA LYS 24 0.374 10.804 -4.050 171 1HB LYS 24 2HB LYS 24 0.186 8.918 -6.047 172 2HB LYS 24 3HB LYS 24 -0.930 8.226 -4.880 173 1HG LYS 24 2HG LYS 24 -2.355 9.610 -6.071 174 2HG LYS 24 3HG LYS 24 -1.895 10.698 -4.761 175 1HD LYS 24 2HD LYS 24 0.004 11.530 -6.285 176 2HD LYS 24 3HD LYS 24 -0.688 10.524 -7.570 177 1HE LYS 24 2HE LYS 24 -2.854 11.801 -7.349 178 2HE LYS 24 3HE LYS 24 -2.084 12.837 -6.134 179 1HZ LYS 24 1HZ LYS 24 -1.260 12.567 -8.953 180 2HZ LYS 24 2HZ LYS 24 -2.028 13.855 -8.284 181 3HZ LYS 24 3HZ LYS 24 -0.488 13.493 -7.834 182 H ILE 25 H ILE 25 0.521 7.410 -3.078 183 HA ILE 25 HA ILE 25 -1.638 7.669 -1.231 184 HB ILE 25 HB ILE 25 0.416 5.494 -1.577 185 1HG1 ILE 25 2HG1 ILE 25 -0.865 5.881 -3.602 186 2HG1 ILE 25 3HG1 ILE 25 -1.068 4.291 -2.870 187 1HG2 ILE 25 1HG2 ILE 25 -0.524 5.254 0.638 188 2HG2 ILE 25 2HG2 ILE 25 -2.168 5.427 0.013 189 3HG2 ILE 25 3HG2 ILE 25 -1.184 4.010 -0.430 190 1HD1 ILE 25 1HD1 ILE 25 -2.978 6.628 -2.622 191 2HD1 ILE 25 2HD1 ILE 25 -3.184 5.215 -3.681 192 3HD1 ILE 25 3HD1 ILE 25 -3.203 5.009 -1.912 193 H GLY 26 H GLY 26 1.930 7.784 -0.942 194 1HA GLY 26 1HA GLY 26 2.316 7.883 1.795 195 2HA GLY 26 2HA GLY 26 3.206 8.845 0.600 196 H LYS 27 H LYS 27 0.744 10.391 -0.272 197 HA LYS 27 HA LYS 27 1.043 12.436 1.667 198 1HB LYS 27 2HB LYS 27 0.900 12.667 -0.819 199 2HB LYS 27 3HB LYS 27 -0.836 12.305 -0.732 200 1HG LYS 27 2HG LYS 27 -1.286 14.248 0.522 201 2HG LYS 27 3HG LYS 27 0.423 14.455 0.958 202 1HD LYS 27 2HD LYS 27 0.989 15.001 -1.377 203 2HD LYS 27 3HD LYS 27 -0.718 14.817 -1.849 204 1HE LYS 27 2HE LYS 27 -1.370 16.675 -0.361 205 2HE LYS 27 3HE LYS 27 0.277 16.789 0.280 206 1HZ LYS 27 1HZ LYS 27 -0.496 17.372 -2.499 207 2HZ LYS 27 2HZ LYS 27 -0.149 18.477 -1.333 208 3HZ LYS 27 3HZ LYS 27 1.029 17.474 -1.881 209 H LEU 28 H LEU 28 -1.248 9.738 1.647 210 HA LEU 28 HA LEU 28 -3.485 11.191 2.621 211 1HB LEU 28 2HB LEU 28 -2.643 8.354 2.826 212 2HB LEU 28 3HB LEU 28 -4.123 8.925 3.545 213 HG LEU 28 HG LEU 28 -3.938 9.998 0.805 214 1HD1 LEU 28 1HD1 LEU 28 -4.329 7.976 -0.405 215 2HD1 LEU 28 2HD1 LEU 28 -2.749 8.165 0.381 216 3HD1 LEU 28 3HD1 LEU 28 -3.918 7.016 1.050 217 1HD2 LEU 28 1HD2 LEU 28 -5.974 9.993 2.245 218 2HD2 LEU 28 2HD2 LEU 28 -6.242 9.098 0.730 219 3HD2 LEU 28 3HD2 LEU 28 -5.947 8.214 2.248 220 H GLN 29 H GLN 29 -4.272 11.434 4.680 221 HA GLN 29 HA GLN 29 -2.295 11.596 6.746 222 1HB GLN 29 2HB GLN 29 -4.010 12.810 8.024 223 2HB GLN 29 3HB GLN 29 -3.888 13.394 6.360 224 1HG GLN 29 2HG GLN 29 -5.841 11.594 5.970 225 2HG GLN 29 3HG GLN 29 -6.104 11.855 7.695 226 1HE2 GLN 29 2HE2 GLN 29 -7.814 12.560 5.309 227 2HE2 GLN 29 1HE2 GLN 29 -8.059 14.292 5.450 228 H GLY 30 H GLY 30 -1.667 9.668 7.565 229 1HA GLY 30 1HA GLY 30 -2.677 8.271 9.538 230 2HA GLY 30 2HA GLY 30 -3.731 7.623 8.290 231 H VAL 31 H VAL 31 -1.038 8.083 6.548 232 HA VAL 31 HA VAL 31 -0.009 5.395 7.133 233 HB VAL 31 HB VAL 31 0.453 7.356 4.814 234 1HG1 VAL 31 1HG1 VAL 31 1.397 5.417 3.607 235 2HG1 VAL 31 2HG1 VAL 31 2.349 5.810 5.040 236 3HG1 VAL 31 3HG1 VAL 31 1.227 4.424 5.069 237 1HG2 VAL 31 1HG2 VAL 31 -1.872 6.553 4.803 238 2HG2 VAL 31 2HG2 VAL 31 -0.963 5.806 3.488 239 3HG2 VAL 31 3HG2 VAL 31 -1.308 4.874 4.962 240 H GLN 32 H GLN 32 2.092 5.067 7.860 241 HA GLN 32 HA GLN 32 3.668 7.518 8.557 242 1HB GLN 32 2HB GLN 32 4.828 6.161 10.131 243 2HB GLN 32 3HB GLN 32 3.090 6.173 10.453 244 1HG GLN 32 2HG GLN 32 2.864 3.939 10.174 245 2HG GLN 32 3HG GLN 32 3.961 3.862 8.806 246 1HE2 GLN 32 2HE2 GLN 32 4.166 4.491 12.363 247 2HE2 GLN 32 1HE2 GLN 32 5.499 3.356 12.554 248 H ARG 33 H ARG 33 3.674 4.482 6.718 249 HA ARG 33 HA ARG 33 6.079 5.285 5.267 250 1HB ARG 33 2HB ARG 33 6.135 3.309 7.463 251 2HB ARG 33 3HB ARG 33 6.504 2.557 5.908 252 1HG ARG 33 2HG ARG 33 8.289 4.282 5.547 253 2HG ARG 33 3HG ARG 33 7.958 4.887 7.193 254 1HD ARG 33 2HD ARG 33 8.331 2.569 8.073 255 2HD ARG 33 3HD ARG 33 8.728 2.030 6.419 256 HE ARG 33 HE ARG 33 10.396 4.231 7.148 257 1HH1 ARG 33 1HH2 ARG 33 9.862 0.839 7.915 258 2HH1 ARG 33 2HH2 ARG 33 11.497 0.493 8.383 259 1HH2 ARG 33 1HH1 ARG 33 12.600 3.839 7.812 260 2HH2 ARG 33 2HH1 ARG 33 13.089 2.260 8.332 261 H ILE 34 H ILE 34 6.356 3.822 3.373 262 HA ILE 34 HA ILE 34 4.236 2.060 2.663 263 HB ILE 34 HB ILE 34 3.145 4.199 2.268 264 1HG1 ILE 34 2HG1 ILE 34 4.102 3.045 -0.369 265 2HG1 ILE 34 3HG1 ILE 34 2.960 2.250 0.685 266 1HG2 ILE 34 1HG2 ILE 34 4.012 5.924 0.753 267 2HG2 ILE 34 2HG2 ILE 34 5.118 5.689 2.094 268 3HG2 ILE 34 3HG2 ILE 34 5.502 5.002 0.507 269 1HD1 ILE 34 1HD1 ILE 34 2.512 4.989 -0.574 270 2HD1 ILE 34 2HD1 ILE 34 1.738 3.463 -1.041 271 3HD1 ILE 34 3HD1 ILE 34 1.428 4.171 0.561 272 H LYS 35 H LYS 35 5.078 0.745 1.040 273 HA LYS 35 HA LYS 35 7.572 1.431 -0.236 274 1HB LYS 35 2HB LYS 35 7.424 -0.539 1.989 275 2HB LYS 35 3HB LYS 35 8.318 -1.035 0.546 276 1HG LYS 35 2HG LYS 35 8.852 1.488 2.178 277 2HG LYS 35 3HG LYS 35 9.673 -0.069 2.364 278 1HD LYS 35 2HD LYS 35 10.279 0.051 -0.097 279 2HD LYS 35 3HD LYS 35 9.662 1.714 -0.101 280 1HE LYS 35 2HE LYS 35 11.413 2.554 1.137 281 2HE LYS 35 3HE LYS 35 11.673 1.053 2.036 282 1HZ LYS 35 1HZ LYS 35 12.420 1.449 -0.779 283 2HZ LYS 35 2HZ LYS 35 13.454 1.492 0.502 284 3HZ LYS 35 3HZ LYS 35 12.683 0.093 0.118 285 H VAL 36 H VAL 36 7.647 0.688 -2.371 286 HA VAL 36 HA VAL 36 5.858 -1.671 -2.943 287 HB VAL 36 HB VAL 36 6.109 0.909 -4.448 288 1HG1 VAL 36 1HG1 VAL 36 4.537 -1.643 -5.130 289 2HG1 VAL 36 2HG1 VAL 36 4.483 -0.114 -6.034 290 3HG1 VAL 36 3HG1 VAL 36 5.954 -1.085 -6.031 291 1HG2 VAL 36 1HG2 VAL 36 3.756 -0.381 -3.058 292 2HG2 VAL 36 2HG2 VAL 36 4.593 1.096 -2.567 293 3HG2 VAL 36 3HG2 VAL 36 3.690 1.063 -4.084 294 H SER 37 H SER 37 7.010 -3.330 -3.310 295 HA SER 37 HA SER 37 9.693 -3.287 -4.464 296 1HB SER 37 2HB SER 37 7.982 -5.562 -3.587 297 2HB SER 37 3HB SER 37 9.732 -5.584 -3.849 298 HG SER 37 HG SER 37 9.044 -5.365 -1.610 299 H LEU 38 H LEU 38 9.650 -3.017 -6.703 300 HA LEU 38 HA LEU 38 7.546 -3.973 -8.398 301 1HB LEU 38 2HB LEU 38 9.233 -3.718 -10.241 302 2HB LEU 38 3HB LEU 38 8.687 -2.277 -9.400 303 HG LEU 38 HG LEU 38 11.208 -3.520 -8.343 304 1HD1 LEU 38 1HD1 LEU 38 11.560 -3.742 -10.752 305 2HD1 LEU 38 2HD1 LEU 38 11.067 -2.053 -11.005 306 3HD1 LEU 38 3HD1 LEU 38 12.556 -2.425 -10.105 307 1HD2 LEU 38 1HD2 LEU 38 10.530 -0.650 -9.085 308 2HD2 LEU 38 2HD2 LEU 38 10.073 -1.343 -7.524 309 3HD2 LEU 38 3HD2 LEU 38 11.791 -1.213 -7.968 310 H ASP 39 H ASP 39 10.751 -5.342 -7.472 311 HA ASP 39 HA ASP 39 11.026 -7.383 -9.208 312 1HB ASP 39 2HB ASP 39 11.558 -7.725 -6.215 313 2HB ASP 39 3HB ASP 39 12.422 -8.448 -7.560 314 H ASN 40 H ASN 40 9.447 -7.642 -6.047 315 HA ASN 40 HA ASN 40 8.517 -10.321 -6.670 316 1HB ASN 40 2HB ASN 40 9.521 -9.440 -4.473 317 2HB ASN 40 3HB ASN 40 7.838 -9.021 -4.116 318 1HD2 ASN 40 2HD2 ASN 40 10.222 -11.562 -4.430 319 2HD2 ASN 40 1HD2 ASN 40 9.165 -12.890 -3.986 320 H GLN 41 H GLN 41 7.427 -7.570 -7.789 321 HA GLN 41 HA GLN 41 5.732 -6.201 -7.745 322 1HB GLN 41 2HB GLN 41 5.409 -8.453 -9.369 323 2HB GLN 41 3HB GLN 41 3.795 -8.195 -8.733 324 1HG GLN 41 2HG GLN 41 3.964 -5.805 -9.498 325 2HG GLN 41 3HG GLN 41 5.646 -6.082 -9.957 326 1HE2 GLN 41 2HE2 GLN 41 5.134 -5.282 -12.006 327 2HE2 GLN 41 1HE2 GLN 41 4.453 -6.349 -13.228 328 H GLU 42 H GLU 42 5.873 -5.988 -5.423 329 HA GLU 42 HA GLU 42 3.314 -6.702 -4.074 330 1HB GLU 42 2HB GLU 42 5.169 -8.354 -3.541 331 2HB GLU 42 3HB GLU 42 6.059 -7.010 -2.803 332 1HG GLU 42 2HG GLU 42 4.137 -6.632 -1.248 333 2HG GLU 42 3HG GLU 42 3.283 -7.982 -2.005 334 H ALA 43 H ALA 43 2.496 -5.168 -2.804 335 HA ALA 43 HA ALA 43 4.018 -2.662 -2.351 336 1HB ALA 43 1HB ALA 43 1.122 -3.099 -3.067 337 2HB ALA 43 2HB ALA 43 1.699 -1.606 -2.289 338 3HB ALA 43 3HB ALA 43 2.330 -2.116 -3.869 339 H THR 44 H THR 44 4.109 -1.881 -0.436 340 HA THR 44 HA THR 44 3.255 -3.330 2.011 341 HB THR 44 HB THR 44 5.676 -1.501 1.417 342 HG1 THR 44 1HG THR 44 5.820 -3.513 0.397 343 1HG2 THR 44 1HG2 THR 44 5.008 -3.192 3.855 344 2HG2 THR 44 2HG2 THR 44 6.522 -2.305 3.587 345 3HG2 THR 44 3HG2 THR 44 5.005 -1.419 3.771 346 H ILE 45 H ILE 45 1.832 -2.092 3.205 347 HA ILE 45 HA ILE 45 1.957 0.899 2.895 348 HB ILE 45 HB ILE 45 -0.504 -0.864 3.134 349 1HG1 ILE 45 2HG1 ILE 45 0.534 -0.674 0.796 350 2HG1 ILE 45 3HG1 ILE 45 -1.169 -0.281 0.989 351 1HG2 ILE 45 1HG2 ILE 45 -1.632 1.391 2.849 352 2HG2 ILE 45 2HG2 ILE 45 -0.948 1.048 4.445 353 3HG2 ILE 45 3HG2 ILE 45 -0.102 2.139 3.326 354 1HD1 ILE 45 1HD1 ILE 45 0.877 1.924 1.144 355 2HD1 ILE 45 2HD1 ILE 45 0.315 1.312 -0.423 356 3HD1 ILE 45 3HD1 ILE 45 -0.839 2.017 0.731 357 H VAL 46 H VAL 46 2.634 1.718 4.816 358 HA VAL 46 HA VAL 46 2.203 0.021 7.241 359 HB VAL 46 HB VAL 46 4.269 2.184 6.986 360 1HG1 VAL 46 1HG1 VAL 46 3.750 1.354 9.219 361 2HG1 VAL 46 2HG1 VAL 46 3.985 -0.314 8.686 362 3HG1 VAL 46 3HG1 VAL 46 5.362 0.801 8.723 363 1HG2 VAL 46 1HG2 VAL 46 4.372 -0.648 5.948 364 2HG2 VAL 46 2HG2 VAL 46 4.890 0.833 5.142 365 3HG2 VAL 46 3HG2 VAL 46 5.847 0.188 6.489 366 H TYR 47 H TYR 47 0.261 0.716 8.011 367 HA TYR 47 HA TYR 47 -0.114 3.665 8.281 368 1HB TYR 47 2HB TYR 47 -2.232 3.633 7.398 369 2HB TYR 47 3HB TYR 47 -1.352 2.595 6.298 370 HD1 TYR 47 1HD TYR 47 -4.097 2.862 8.685 371 HD2 TYR 47 2HD TYR 47 -1.657 0.038 6.514 372 HE1 TYR 47 1HE TYR 47 -5.760 1.096 9.108 373 HE2 TYR 47 2HE TYR 47 -3.334 -1.734 6.975 374 HH TYR 47 HH TYR 47 -6.116 -1.175 9.141 375 H GLN 48 H GLN 48 -1.922 4.265 9.647 376 HA GLN 48 HA GLN 48 -1.544 2.845 12.203 377 1HB GLN 48 2HB GLN 48 -0.829 5.247 11.659 378 2HB GLN 48 3HB GLN 48 -2.532 5.668 11.789 379 1HG GLN 48 2HG GLN 48 -2.605 4.638 14.094 380 2HG GLN 48 3HG GLN 48 -0.900 4.197 13.935 381 1HE2 GLN 48 2HE2 GLN 48 -3.120 6.796 14.710 382 2HE2 GLN 48 1HE2 GLN 48 -1.863 7.953 15.106 383 HA PRO 49 HA PRO 49 -5.816 1.656 11.267 384 1HB PRO 49 2HB PRO 49 -6.242 -0.233 13.177 385 2HB PRO 49 3HB PRO 49 -5.127 -0.486 11.805 386 1HG PRO 49 2HG PRO 49 -4.401 0.473 14.590 387 2HG PRO 49 3HG PRO 49 -3.693 -0.903 13.700 388 1HD PRO 49 2HD PRO 49 -2.500 1.503 13.674 389 2HD PRO 49 3HD PRO 49 -2.598 0.577 12.158 390 H HIS 50 H HIS 50 -6.322 3.818 11.768 391 HA HIS 50 HA HIS 50 -8.617 4.147 13.324 392 1HB HIS 50 2HB HIS 50 -6.055 4.965 14.725 393 2HB HIS 50 3HB HIS 50 -7.407 6.087 14.778 394 HD1 HIS 50 1HD HIS 50 -6.815 5.373 17.498 395 HD2 HIS 50 2HD HIS 50 -9.177 2.887 15.052 396 HE1 HIS 50 1HE HIS 50 -8.254 3.951 19.051 397 H LEU 51 H LEU 51 -5.714 5.670 11.883 398 HA LEU 51 HA LEU 51 -7.173 8.138 11.349 399 1HB LEU 51 2HB LEU 51 -4.515 7.180 10.461 400 2HB LEU 51 3HB LEU 51 -5.142 8.804 10.146 401 HG LEU 51 HG LEU 51 -4.765 7.649 12.946 402 1HD1 LEU 51 1HD1 LEU 51 -2.832 9.199 13.125 403 2HD1 LEU 51 2HD1 LEU 51 -2.569 8.000 11.852 404 3HD1 LEU 51 3HD1 LEU 51 -3.043 9.663 11.430 405 1HD2 LEU 51 1HD2 LEU 51 -4.978 10.050 13.648 406 2HD2 LEU 51 2HD2 LEU 51 -5.443 10.461 11.987 407 3HD2 LEU 51 3HD2 LEU 51 -6.468 9.397 12.978 408 H ILE 52 H ILE 52 -6.019 5.351 9.348 409 HA ILE 52 HA ILE 52 -7.963 6.013 7.288 410 HB ILE 52 HB ILE 52 -5.372 6.912 7.081 411 1HG1 ILE 52 2HG1 ILE 52 -5.729 6.656 4.570 412 2HG1 ILE 52 3HG1 ILE 52 -7.295 5.941 5.072 413 1HG2 ILE 52 1HG2 ILE 52 -4.436 4.609 7.203 414 2HG2 ILE 52 2HG2 ILE 52 -5.267 4.225 5.652 415 3HG2 ILE 52 3HG2 ILE 52 -4.014 5.485 5.735 416 1HD1 ILE 52 1HD1 ILE 52 -6.198 8.735 5.659 417 2HD1 ILE 52 2HD1 ILE 52 -7.535 8.350 4.568 418 3HD1 ILE 52 3HD1 ILE 52 -7.730 8.126 6.319 419 H SER 53 H SER 53 -7.905 3.992 5.657 420 HA SER 53 HA SER 53 -7.702 1.506 7.299 421 1HB SER 53 2HB SER 53 -9.895 0.890 6.436 422 2HB SER 53 3HB SER 53 -10.009 2.474 7.227 423 HG SER 53 HG SER 53 -11.021 2.622 5.221 424 H VAL 54 H VAL 54 -7.464 -0.442 6.110 425 HA VAL 54 HA VAL 54 -5.933 -0.616 3.794 426 HB VAL 54 HB VAL 54 -8.099 -2.450 4.856 427 1HG1 VAL 54 1HG1 VAL 54 -7.132 -4.216 3.452 428 2HG1 VAL 54 2HG1 VAL 54 -7.850 -2.966 2.459 429 3HG1 VAL 54 3HG1 VAL 54 -6.081 -3.011 2.652 430 1HG2 VAL 54 1HG2 VAL 54 -5.074 -2.362 5.097 431 2HG2 VAL 54 2HG2 VAL 54 -6.293 -2.428 6.386 432 3HG2 VAL 54 3HG2 VAL 54 -5.979 -3.855 5.383 433 H GLU 55 H GLU 55 -9.495 -0.291 4.076 434 HA GLU 55 HA GLU 55 -9.996 -0.800 1.326 435 1HB GLU 55 2HB GLU 55 -11.640 -0.786 3.312 436 2HB GLU 55 3HB GLU 55 -11.708 0.958 3.021 437 1HG GLU 55 2HG GLU 55 -12.417 -1.226 1.049 438 2HG GLU 55 3HG GLU 55 -13.570 -0.256 1.961 439 H GLU 56 H GLU 56 -9.273 2.278 3.047 440 HA GLU 56 HA GLU 56 -9.651 3.999 0.835 441 1HB GLU 56 2HB GLU 56 -8.861 4.243 3.612 442 2HB GLU 56 3HB GLU 56 -7.543 4.890 2.653 443 1HG GLU 56 2HG GLU 56 -10.451 5.724 2.293 444 2HG GLU 56 3HG GLU 56 -9.243 6.609 3.239 445 H MET 57 H MET 57 -6.685 2.455 2.300 446 HA MET 57 HA MET 57 -4.817 3.187 0.450 447 1HB MET 57 2HB MET 57 -5.082 0.552 1.783 448 2HB MET 57 3HB MET 57 -3.648 1.230 1.042 449 1HG MET 57 2HG MET 57 -5.064 2.427 3.438 450 2HG MET 57 3HG MET 57 -3.649 1.442 3.483 451 1HE MET 57 1HE MET 57 -5.276 4.716 3.400 452 2HE MET 57 2HE MET 57 -4.050 5.904 2.936 453 3HE MET 57 3HE MET 57 -4.912 4.978 1.687 454 H LYS 58 H LYS 58 -6.793 0.158 0.160 455 HA LYS 58 HA LYS 58 -5.865 -0.407 -2.490 456 1HB LYS 58 2HB LYS 58 -6.688 -2.131 -1.491 457 2HB LYS 58 3HB LYS 58 -8.212 -1.384 -0.847 458 1HG LYS 58 2HG LYS 58 -8.560 -1.429 -3.664 459 2HG LYS 58 3HG LYS 58 -7.433 -2.737 -3.439 460 1HD LYS 58 2HD LYS 58 -9.382 -3.849 -3.331 461 2HD LYS 58 3HD LYS 58 -9.211 -3.538 -1.603 462 1HE LYS 58 2HE LYS 58 -10.815 -1.872 -3.643 463 2HE LYS 58 3HE LYS 58 -11.517 -3.079 -2.569 464 1HZ LYS 58 1HZ LYS 58 -10.164 -0.611 -1.620 465 2HZ LYS 58 2HZ LYS 58 -11.765 -0.792 -1.667 466 3HZ LYS 58 3HZ LYS 58 -10.909 -1.735 -0.687 467 H LYS 59 H LYS 59 -8.798 1.370 -1.401 468 HA LYS 59 HA LYS 59 -10.033 1.453 -3.949 469 1HB LYS 59 2HB LYS 59 -10.954 2.040 -1.644 470 2HB LYS 59 3HB LYS 59 -10.246 3.633 -1.851 471 1HG LYS 59 2HG LYS 59 -12.198 2.302 -3.793 472 2HG LYS 59 3HG LYS 59 -12.696 3.208 -2.355 473 1HD LYS 59 2HD LYS 59 -11.604 5.259 -3.204 474 2HD LYS 59 3HD LYS 59 -10.992 4.390 -4.614 475 1HE LYS 59 2HE LYS 59 -12.976 5.708 -5.198 476 2HE LYS 59 3HE LYS 59 -13.215 3.977 -5.473 477 1HZ LYS 59 1HZ LYS 59 -14.190 5.463 -3.119 478 2HZ LYS 59 2HZ LYS 59 -15.109 4.999 -4.405 479 3HZ LYS 59 3HZ LYS 59 -14.441 3.867 -3.420 480 H GLN 60 H GLN 60 -7.780 3.660 -2.250 481 HA GLN 60 HA GLN 60 -7.524 5.536 -4.431 482 1HB GLN 60 2HB GLN 60 -5.628 4.753 -2.241 483 2HB GLN 60 3HB GLN 60 -5.401 6.164 -3.296 484 1HG GLN 60 2HG GLN 60 -7.819 5.776 -1.464 485 2HG GLN 60 3HG GLN 60 -6.380 6.727 -1.087 486 1HE2 GLN 60 2HE2 GLN 60 -9.058 7.720 -1.084 487 2HE2 GLN 60 1HE2 GLN 60 -9.137 8.949 -2.348 488 H ILE 61 H ILE 61 -5.551 2.638 -3.528 489 HA ILE 61 HA ILE 61 -3.695 2.984 -5.689 490 HB ILE 61 HB ILE 61 -4.259 0.609 -3.909 491 1HG1 ILE 61 2HG1 ILE 61 -2.088 2.743 -4.112 492 2HG1 ILE 61 3HG1 ILE 61 -3.354 2.771 -2.925 493 1HG2 ILE 61 1HG2 ILE 61 -3.311 -0.201 -6.061 494 2HG2 ILE 61 2HG2 ILE 61 -2.077 1.074 -6.005 495 3HG2 ILE 61 3HG2 ILE 61 -2.078 -0.256 -4.821 496 1HD1 ILE 61 1HD1 ILE 61 -1.138 0.726 -3.092 497 2HD1 ILE 61 2HD1 ILE 61 -1.449 1.937 -1.837 498 3HD1 ILE 61 3HD1 ILE 61 -2.571 0.573 -2.034 499 H GLU 62 H GLU 62 -6.189 0.291 -5.347 500 HA GLU 62 HA GLU 62 -5.994 -0.493 -8.004 501 1HB GLU 62 2HB GLU 62 -7.632 -1.022 -5.656 502 2HB GLU 62 3HB GLU 62 -8.711 -0.727 -6.983 503 1HG GLU 62 2HG GLU 62 -7.550 -2.463 -8.270 504 2HG GLU 62 3HG GLU 62 -6.297 -2.593 -7.019 505 H ALA 63 H ALA 63 -7.817 2.380 -6.755 506 HA ALA 63 HA ALA 63 -9.325 2.816 -9.111 507 1HB ALA 63 1HB ALA 63 -9.161 5.248 -8.507 508 2HB ALA 63 2HB ALA 63 -9.719 4.201 -7.200 509 3HB ALA 63 3HB ALA 63 -8.028 4.791 -7.219 510 H MET 64 H MET 64 -5.816 3.314 -8.586 511 HA MET 64 HA MET 64 -5.246 4.909 -10.859 512 1HB MET 64 2HB MET 64 -3.634 2.683 -9.587 513 2HB MET 64 3HB MET 64 -3.052 3.868 -10.745 514 1HG MET 64 2HG MET 64 -4.051 4.509 -7.944 515 2HG MET 64 3HG MET 64 -2.389 4.409 -8.505 516 1HE MET 64 1HE MET 64 -1.562 6.668 -7.639 517 2HE MET 64 2HE MET 64 -2.466 8.174 -7.874 518 3HE MET 64 3HE MET 64 -3.160 6.872 -6.873 519 H GLY 65 H GLY 65 -5.758 1.378 -10.435 520 1HA GLY 65 1HA GLY 65 -6.999 0.522 -12.501 521 2HA GLY 65 2HA GLY 65 -5.505 0.903 -13.377 522 H PHE 66 H PHE 66 -3.953 0.183 -10.831 523 HA PHE 66 HA PHE 66 -3.237 -2.417 -11.755 524 1HB PHE 66 2HB PHE 66 -2.481 -0.880 -9.266 525 2HB PHE 66 3HB PHE 66 -1.590 -2.275 -9.903 526 HD1 PHE 66 1HD PHE 66 -1.954 1.283 -9.946 527 HD2 PHE 66 2HD PHE 66 -0.645 -2.032 -12.359 528 HE1 PHE 66 1HE PHE 66 -0.892 2.869 -11.538 529 HE2 PHE 66 2HE PHE 66 0.444 -0.445 -13.934 530 HZ PHE 66 HZ PHE 66 0.257 2.004 -13.552 531 HA PRO 67 HA PRO 67 -6.332 -4.327 -8.927 532 1HB PRO 67 2HB PRO 67 -5.969 -6.952 -9.556 533 2HB PRO 67 3HB PRO 67 -6.837 -5.818 -10.633 534 1HG PRO 67 2HG PRO 67 -3.932 -6.655 -10.789 535 2HG PRO 67 3HG PRO 67 -5.129 -6.647 -12.117 536 1HD PRO 67 2HD PRO 67 -3.373 -4.611 -11.744 537 2HD PRO 67 3HD PRO 67 -5.048 -4.272 -12.278 538 H ALA 68 H ALA 68 -6.050 -5.175 -6.802 539 HA ALA 68 HA ALA 68 -3.248 -5.930 -6.107 540 1HB ALA 68 1HB ALA 68 -4.977 -4.009 -4.538 541 2HB ALA 68 2HB ALA 68 -3.343 -4.614 -4.147 542 3HB ALA 68 3HB ALA 68 -3.591 -3.564 -5.569 543 H PHE 69 H PHE 69 -2.982 -7.555 -4.744 544 HA PHE 69 HA PHE 69 -5.394 -8.856 -3.493 545 1HB PHE 69 2HB PHE 69 -2.825 -9.947 -4.478 546 2HB PHE 69 3HB PHE 69 -3.842 -10.820 -3.353 547 HD1 PHE 69 1HD PHE 69 -5.668 -12.141 -4.109 548 HD2 PHE 69 2HD PHE 69 -3.910 -9.221 -6.768 549 HE1 PHE 69 1HE PHE 69 -6.933 -13.097 -6.007 550 HE2 PHE 69 2HE PHE 69 -5.256 -10.126 -8.633 551 HZ PHE 69 HZ PHE 69 -6.749 -12.080 -8.266 552 H VAL 70 H VAL 70 -5.171 -7.116 -1.960 553 HA VAL 70 HA VAL 70 -3.300 -6.978 0.222 554 HB VAL 70 HB VAL 70 -4.730 -5.302 0.174 555 1HG1 VAL 70 1HG1 VAL 70 -7.217 -5.562 0.322 556 2HG1 VAL 70 2HG1 VAL 70 -6.482 -5.953 -1.238 557 3HG1 VAL 70 3HG1 VAL 70 -6.988 -7.267 -0.146 558 1HG2 VAL 70 1HG2 VAL 70 -4.326 -6.534 2.389 559 2HG2 VAL 70 2HG2 VAL 70 -5.626 -5.335 2.318 560 3HG2 VAL 70 3HG2 VAL 70 -6.020 -7.063 2.278 561 H LYS 71 H LYS 71 -2.486 -8.927 1.077 562 HA LYS 71 HA LYS 71 -4.400 -10.523 2.555 563 1HB LYS 71 2HB LYS 71 -3.850 -12.611 1.659 564 2HB LYS 71 3HB LYS 71 -4.673 -11.566 0.491 565 1HG LYS 71 2HG LYS 71 -2.321 -10.943 -0.298 566 2HG LYS 71 3HG LYS 71 -1.780 -12.338 0.635 567 1HD LYS 71 2HD LYS 71 -3.516 -13.756 -0.606 568 2HD LYS 71 3HD LYS 71 -3.842 -12.351 -1.630 569 1HE LYS 71 2HE LYS 71 -1.383 -12.406 -2.323 570 2HE LYS 71 3HE LYS 71 -1.227 -13.919 -1.408 571 1HZ LYS 71 1HZ LYS 71 -2.953 -13.459 -3.760 572 2HZ LYS 71 2HZ LYS 71 -1.599 -14.379 -3.701 573 3HZ LYS 71 3HZ LYS 71 -2.938 -14.848 -2.877 574 H LYS 72 H LYS 72 -2.886 -8.997 3.928 575 HA LYS 72 HA LYS 72 -1.343 -10.891 5.409 576 1HB LYS 72 2HB LYS 72 0.187 -9.623 3.513 577 2HB LYS 72 3HB LYS 72 0.248 -8.428 4.812 578 1HG LYS 72 2HG LYS 72 2.162 -9.784 5.088 579 2HG LYS 72 3HG LYS 72 1.067 -10.343 6.338 580 1HD LYS 72 2HD LYS 72 0.374 -12.241 4.809 581 2HD LYS 72 3HD LYS 72 1.521 -11.631 3.601 582 1HE LYS 72 2HE LYS 72 3.392 -11.916 5.235 583 2HE LYS 72 3HE LYS 72 2.246 -12.509 6.448 584 1HZ LYS 72 1HZ LYS 72 2.898 -13.822 3.899 585 2HZ LYS 72 2HZ LYS 72 3.374 -14.282 5.403 586 3HZ LYS 72 3HZ LYS 72 1.785 -14.367 4.991 587 H ILE 73 H ILE 73 -0.610 -9.814 7.447 588 HA ILE 73 HA ILE 73 -1.679 -7.200 8.065 589 HB ILE 73 HB ILE 73 -3.667 -8.625 8.372 590 1HG1 ILE 73 2HG1 ILE 73 -4.187 -8.112 10.759 591 2HG1 ILE 73 3HG1 ILE 73 -2.532 -7.537 10.977 592 1HG2 ILE 73 1HG2 ILE 73 -2.313 -10.146 10.615 593 2HG2 ILE 73 2HG2 ILE 73 -3.887 -10.409 9.868 594 3HG2 ILE 73 3HG2 ILE 73 -2.418 -10.768 8.956 595 1HD1 ILE 73 1HD1 ILE 73 -4.535 -6.442 8.945 596 2HD1 ILE 73 2HD1 ILE 73 -4.163 -5.712 10.517 597 3HD1 ILE 73 3HD1 ILE 73 -2.915 -5.780 9.266 598 H GLU 74 H GLU 74 0.726 -7.176 7.948 599 HA GLU 74 HA GLU 74 2.154 -8.810 9.942 600 1HB GLU 74 2HB GLU 74 2.766 -8.163 7.379 601 2HB GLU 74 3HB GLU 74 3.592 -6.850 8.195 602 1HG GLU 74 2HG GLU 74 5.187 -8.561 7.980 603 2HG GLU 74 3HG GLU 74 4.690 -8.641 9.677 604 H GLY 75 H GLY 75 0.657 -7.553 11.458 605 1HA GLY 75 1HA GLY 75 1.919 -5.010 12.442 606 2HA GLY 75 2HA GLY 75 0.236 -5.500 12.717 607 H ARG 76 H ARG 76 2.461 -4.996 14.722 608 HA ARG 76 HA ARG 76 2.030 -7.291 16.349 609 1HB ARG 76 2HB ARG 76 4.266 -7.563 14.719 610 2HB ARG 76 3HB ARG 76 4.939 -6.637 16.057 611 1HG ARG 76 2HG ARG 76 5.311 -8.791 16.795 612 2HG ARG 76 3HG ARG 76 3.742 -8.482 17.543 613 1HD ARG 76 2HD ARG 76 2.772 -9.586 15.315 614 2HD ARG 76 3HD ARG 76 4.426 -10.072 15.023 615 HE ARG 76 HE ARG 76 4.336 -11.668 16.662 616 1HH1 ARG 76 1HH2 ARG 76 1.549 -9.557 16.942 617 2HH1 ARG 76 2HH2 ARG 76 0.662 -10.557 18.052 618 1HH2 ARG 76 1HH1 ARG 76 3.235 -13.032 18.196 619 2HH2 ARG 76 2HH1 ARG 76 1.676 -12.580 18.802 Start of MODEL 4 1 1H GLY 1 1H GLY 1 0.335 -0.886 17.395 2 2H GLY 1 2H GLY 1 -0.085 0.096 18.673 3 3H GLY 1 3H GLY 1 -1.097 -0.099 17.353 4 1HA GLY 1 1HA GLY 1 0.058 2.032 17.327 5 2HA GLY 1 2HA GLY 1 1.539 1.080 17.047 6 H GLU 2 H GLU 2 1.729 1.881 14.809 7 HA GLU 2 HA GLU 2 -0.257 1.487 12.850 8 1HB GLU 2 2HB GLU 2 1.693 1.624 11.293 9 2HB GLU 2 3HB GLU 2 1.586 2.908 12.499 10 1HG GLU 2 2HG GLU 2 3.291 0.536 13.248 11 2HG GLU 2 3HG GLU 2 3.877 1.559 11.936 12 H VAL 3 H VAL 3 0.138 0.047 10.920 13 HA VAL 3 HA VAL 3 0.768 -2.760 11.640 14 HB VAL 3 HB VAL 3 -1.836 -1.599 10.600 15 1HG1 VAL 3 1HG1 VAL 3 -2.699 -3.864 10.353 16 2HG1 VAL 3 2HG1 VAL 3 -1.422 -3.515 9.192 17 3HG1 VAL 3 3HG1 VAL 3 -1.060 -4.525 10.618 18 1HG2 VAL 3 1HG2 VAL 3 -1.182 -3.407 12.981 19 2HG2 VAL 3 2HG2 VAL 3 -1.664 -1.704 13.076 20 3HG2 VAL 3 3HG2 VAL 3 -2.818 -2.916 12.506 21 H VAL 4 H VAL 4 1.368 -3.960 9.872 22 HA VAL 4 HA VAL 4 2.117 -2.479 7.412 23 HB VAL 4 HB VAL 4 3.529 -4.347 9.088 24 1HG1 VAL 4 1HG1 VAL 4 4.308 -5.991 7.479 25 2HG1 VAL 4 2HG1 VAL 4 2.562 -6.143 7.697 26 3HG1 VAL 4 3HG1 VAL 4 3.201 -5.368 6.233 27 1HG2 VAL 4 1HG2 VAL 4 5.385 -3.859 7.573 28 2HG2 VAL 4 2HG2 VAL 4 4.252 -3.141 6.412 29 3HG2 VAL 4 3HG2 VAL 4 4.510 -2.390 8.015 30 H LEU 5 H LEU 5 1.062 -2.922 5.555 31 HA LEU 5 HA LEU 5 -0.829 -5.193 5.432 32 1HB LEU 5 2HB LEU 5 -1.679 -2.828 5.646 33 2HB LEU 5 3HB LEU 5 -0.841 -2.392 4.172 34 HG LEU 5 HG LEU 5 -3.216 -2.717 3.852 35 1HD1 LEU 5 1HD1 LEU 5 -3.114 -3.895 1.821 36 2HD1 LEU 5 2HD1 LEU 5 -1.473 -3.263 2.068 37 3HD1 LEU 5 3HD1 LEU 5 -1.827 -4.975 2.378 38 1HD2 LEU 5 1HD2 LEU 5 -4.372 -4.740 4.297 39 2HD2 LEU 5 2HD2 LEU 5 -2.872 -5.678 4.359 40 3HD2 LEU 5 3HD2 LEU 5 -3.287 -4.570 5.681 41 H LYS 6 H LYS 6 -0.149 -6.664 3.812 42 HA LYS 6 HA LYS 6 1.820 -5.675 1.789 43 1HB LYS 6 2HB LYS 6 2.254 -7.604 3.706 44 2HB LYS 6 3HB LYS 6 1.645 -8.553 2.366 45 1HG LYS 6 2HG LYS 6 3.751 -8.681 1.768 46 2HG LYS 6 3HG LYS 6 3.490 -7.109 1.006 47 1HD LYS 6 2HD LYS 6 4.325 -5.957 3.017 48 2HD LYS 6 3HD LYS 6 4.457 -7.481 3.902 49 1HE LYS 6 2HE LYS 6 6.093 -6.693 1.450 50 2HE LYS 6 3HE LYS 6 6.657 -6.727 3.131 51 1HZ LYS 6 1HZ LYS 6 5.894 -8.968 1.407 52 2HZ LYS 6 2HZ LYS 6 7.347 -8.699 2.069 53 3HZ LYS 6 3HZ LYS 6 6.096 -9.173 3.044 54 H MET 7 H MET 7 0.855 -5.499 -0.148 55 HA MET 7 HA MET 7 -1.283 -7.411 -0.874 56 1HB MET 7 2HB MET 7 -2.010 -5.580 -2.485 57 2HB MET 7 3HB MET 7 -2.362 -5.324 -0.772 58 1HG MET 7 2HG MET 7 -0.713 -3.817 -0.412 59 2HG MET 7 3HG MET 7 0.025 -4.127 -1.990 60 1HE MET 7 1HE MET 7 -2.460 -1.957 0.009 61 2HE MET 7 2HE MET 7 -3.706 -1.541 -1.187 62 3HE MET 7 3HE MET 7 -3.566 -3.207 -0.616 63 H LYS 8 H LYS 8 -0.955 -8.621 -2.590 64 HA LYS 8 HA LYS 8 1.613 -8.453 -4.072 65 1HB LYS 8 2HB LYS 8 0.669 -10.599 -3.421 66 2HB LYS 8 3HB LYS 8 -0.810 -10.290 -4.325 67 1HG LYS 8 2HG LYS 8 1.967 -10.561 -5.523 68 2HG LYS 8 3HG LYS 8 0.754 -11.845 -5.394 69 1HD LYS 8 2HD LYS 8 -0.695 -9.936 -6.781 70 2HD LYS 8 3HD LYS 8 0.955 -9.571 -7.280 71 1HE LYS 8 2HE LYS 8 0.584 -11.096 -8.881 72 2HE LYS 8 3HE LYS 8 1.013 -12.273 -7.647 73 1HZ LYS 8 1HZ LYS 8 -1.689 -11.330 -8.367 74 2HZ LYS 8 2HZ LYS 8 -1.071 -12.785 -8.780 75 3HZ LYS 8 3HZ LYS 8 -1.413 -12.447 -7.197 76 H VAL 9 H VAL 9 1.782 -7.253 -6.030 77 HA VAL 9 HA VAL 9 -0.775 -6.183 -7.190 78 HB VAL 9 HB VAL 9 0.686 -4.300 -7.997 79 1HG1 VAL 9 1HG1 VAL 9 0.144 -4.596 -5.020 80 2HG1 VAL 9 2HG1 VAL 9 0.542 -3.059 -5.825 81 3HG1 VAL 9 3HG1 VAL 9 -0.930 -3.934 -6.270 82 1HG2 VAL 9 1HG2 VAL 9 2.900 -5.330 -7.550 83 2HG2 VAL 9 2HG2 VAL 9 2.722 -3.743 -6.794 84 3HG2 VAL 9 3HG2 VAL 9 2.590 -5.196 -5.800 85 H GLU 10 H GLU 10 -0.767 -5.964 -9.495 86 HA GLU 10 HA GLU 10 1.280 -7.680 -10.858 87 1HB GLU 10 2HB GLU 10 -1.647 -7.389 -11.509 88 2HB GLU 10 3HB GLU 10 -0.467 -8.200 -12.524 89 1HG GLU 10 2HG GLU 10 -0.743 -10.068 -11.353 90 2HG GLU 10 3HG GLU 10 -0.192 -9.233 -9.893 91 H GLY 11 H GLY 11 2.002 -7.006 -12.860 92 1HA GLY 11 1HA GLY 11 2.194 -5.660 -14.736 93 2HA GLY 11 2HA GLY 11 0.954 -4.568 -14.109 94 H MET 12 H MET 12 2.018 -3.815 -11.658 95 HA MET 12 HA MET 12 3.843 -1.774 -12.461 96 1HB MET 12 2HB MET 12 3.172 -2.721 -9.650 97 2HB MET 12 3HB MET 12 4.090 -1.270 -10.114 98 1HG MET 12 2HG MET 12 2.027 -0.592 -11.496 99 2HG MET 12 3HG MET 12 1.150 -1.846 -10.620 100 1HE MET 12 1HE MET 12 2.469 -1.583 -7.666 101 2HE MET 12 2HE MET 12 1.294 -0.468 -6.938 102 3HE MET 12 3HE MET 12 0.726 -1.771 -8.010 103 H THR 13 H THR 13 5.509 -2.961 -13.501 104 HA THR 13 HA THR 13 7.717 -3.672 -11.658 105 HB THR 13 HB THR 13 6.831 -5.126 -14.142 106 HG1 THR 13 1HG THR 13 7.098 -5.796 -11.381 107 1HG2 THR 13 1HG2 THR 13 9.328 -5.434 -12.435 108 2HG2 THR 13 2HG2 THR 13 8.627 -6.780 -13.366 109 3HG2 THR 13 3HG2 THR 13 9.208 -5.348 -14.212 110 H CYS 14 HN CYS 14 7.443 -1.047 -12.368 111 HA CYS 14 HA CYS 14 10.042 -0.706 -13.401 112 1HB CYS 14 2HB CYS 14 9.617 0.738 -15.285 113 2HB CYS 14 3HB CYS 14 8.882 -0.825 -15.594 114 H HIS 15 H HIS 15 10.539 1.734 -13.289 115 HA HIS 15 HA HIS 15 9.433 2.855 -10.841 116 1HB HIS 15 2HB HIS 15 11.548 3.635 -12.838 117 2HB HIS 15 3HB HIS 15 10.797 4.945 -11.951 118 HD1 HIS 15 1HD HIS 15 13.876 3.744 -11.599 119 HD2 HIS 15 2HD HIS 15 10.548 3.775 -9.028 120 HE1 HIS 15 1HE HIS 15 14.783 3.734 -9.213 121 H SER 16 H SER 16 8.813 5.344 -11.083 122 HA SER 16 HA SER 16 7.165 6.776 -11.628 123 1HB SER 16 2HB SER 16 7.829 6.284 -14.086 124 2HB SER 16 3HB SER 16 6.369 5.277 -14.142 125 HG SER 16 HG SER 16 5.911 7.416 -14.735 126 H CYS 17 HN CYS 17 5.990 3.496 -12.708 127 HA CYS 17 HA CYS 17 3.409 3.642 -11.687 128 1HB CYS 17 2HB CYS 17 5.300 1.253 -11.778 129 2HB CYS 17 3HB CYS 17 3.556 1.158 -11.527 130 H THR 18 H THR 18 6.126 2.051 -9.960 131 HA THR 18 HA THR 18 4.800 1.871 -7.479 132 HB THR 18 HB THR 18 6.670 0.499 -7.707 133 HG1 THR 18 1HG THR 18 7.648 0.950 -5.822 134 1HG2 THR 18 1HG2 THR 18 8.429 2.917 -8.290 135 2HG2 THR 18 2HG2 THR 18 8.998 1.278 -7.992 136 3HG2 THR 18 3HG2 THR 18 8.004 1.598 -9.408 137 H SER 19 H SER 19 7.073 4.385 -8.580 138 HA SER 19 HA SER 19 7.215 5.787 -6.146 139 1HB SER 19 2HB SER 19 8.805 5.961 -8.053 140 2HB SER 19 3HB SER 19 7.593 6.901 -8.963 141 HG SER 19 HG SER 19 9.204 8.138 -7.746 142 H THR 20 H THR 20 5.032 6.417 -8.953 143 HA THR 20 HA THR 20 3.735 8.702 -7.945 144 HB THR 20 HB THR 20 2.765 6.413 -9.719 145 HG1 THR 20 1HG THR 20 3.835 9.004 -10.177 146 1HG2 THR 20 1HG2 THR 20 1.468 9.123 -9.179 147 2HG2 THR 20 2HG2 THR 20 1.051 8.038 -10.525 148 3HG2 THR 20 3HG2 THR 20 0.765 7.519 -8.859 149 H ILE 21 H ILE 21 2.967 5.204 -7.455 150 HA ILE 21 HA ILE 21 0.695 5.824 -5.766 151 HB ILE 21 HB ILE 21 1.894 3.483 -6.980 152 1HG1 ILE 21 2HG1 ILE 21 -0.727 3.747 -5.496 153 2HG1 ILE 21 3HG1 ILE 21 -0.413 4.463 -7.072 154 1HG2 ILE 21 1HG2 ILE 21 1.108 3.099 -4.085 155 2HG2 ILE 21 2HG2 ILE 21 1.456 1.820 -5.265 156 3HG2 ILE 21 3HG2 ILE 21 2.755 2.908 -4.779 157 1HD1 ILE 21 1HD1 ILE 21 -0.290 1.487 -6.515 158 2HD1 ILE 21 2HD1 ILE 21 -1.551 2.379 -7.387 159 3HD1 ILE 21 3HD1 ILE 21 0.096 2.291 -8.052 160 H GLU 22 H GLU 22 4.084 5.000 -5.074 161 HA GLU 22 HA GLU 22 3.901 5.008 -2.305 162 1HB GLU 22 2HB GLU 22 6.029 5.014 -4.272 163 2HB GLU 22 3HB GLU 22 6.454 6.166 -3.020 164 1HG GLU 22 2HG GLU 22 5.897 4.411 -1.317 165 2HG GLU 22 3HG GLU 22 5.508 3.286 -2.631 166 H GLY 23 H GLY 23 4.538 7.783 -4.444 167 1HA GLY 23 1HA GLY 23 4.485 9.866 -2.562 168 2HA GLY 23 2HA GLY 23 3.999 9.987 -4.261 169 H LYS 24 H LYS 24 1.724 8.537 -4.518 170 HA LYS 24 HA LYS 24 -0.120 10.392 -3.502 171 1HB LYS 24 2HB LYS 24 -0.263 8.622 -5.546 172 2HB LYS 24 3HB LYS 24 -1.116 7.667 -4.334 173 1HG LYS 24 2HG LYS 24 -2.863 8.886 -5.301 174 2HG LYS 24 3HG LYS 24 -2.465 9.902 -3.913 175 1HD LYS 24 2HD LYS 24 -0.800 11.109 -5.558 176 2HD LYS 24 3HD LYS 24 -1.656 10.238 -6.837 177 1HE LYS 24 2HE LYS 24 -3.820 11.285 -5.996 178 2HE LYS 24 3HE LYS 24 -2.859 12.210 -4.828 179 1HZ LYS 24 1HZ LYS 24 -2.663 12.382 -7.764 180 2HZ LYS 24 2HZ LYS 24 -3.299 13.513 -6.758 181 3HZ LYS 24 3HZ LYS 24 -1.687 13.192 -6.717 182 H ILE 25 H ILE 25 0.398 7.026 -2.538 183 HA ILE 25 HA ILE 25 -1.571 7.123 -0.420 184 HB ILE 25 HB ILE 25 0.657 5.200 -1.063 185 1HG1 ILE 25 2HG1 ILE 25 -1.018 5.214 -2.762 186 2HG1 ILE 25 3HG1 ILE 25 -1.023 3.707 -1.841 187 1HG2 ILE 25 1HG2 ILE 25 0.357 4.926 1.271 188 2HG2 ILE 25 2HG2 ILE 25 -1.398 5.109 1.130 189 3HG2 ILE 25 3HG2 ILE 25 -0.601 3.640 0.513 190 1HD1 ILE 25 1HD1 ILE 25 -2.961 6.025 -1.591 191 2HD1 ILE 25 2HD1 ILE 25 -3.308 4.397 -2.173 192 3HD1 ILE 25 3HD1 ILE 25 -2.898 4.647 -0.464 193 H GLY 26 H GLY 26 1.989 7.560 -0.505 194 1HA GLY 26 1HA GLY 26 2.494 7.941 2.202 195 2HA GLY 26 2HA GLY 26 3.329 8.748 0.868 196 H LYS 27 H LYS 27 0.619 10.101 0.054 197 HA LYS 27 HA LYS 27 0.973 12.402 1.814 198 1HB LYS 27 2HB LYS 27 0.895 12.863 -0.462 199 2HB LYS 27 3HB LYS 27 -0.526 11.863 -0.754 200 1HG LYS 27 2HG LYS 27 -2.002 13.324 0.227 201 2HG LYS 27 3HG LYS 27 -0.753 14.247 1.076 202 1HD LYS 27 2HD LYS 27 -0.744 14.153 -1.951 203 2HD LYS 27 3HD LYS 27 -1.884 15.220 -1.104 204 1HE LYS 27 2HE LYS 27 -0.061 16.313 0.126 205 2HE LYS 27 3HE LYS 27 1.138 15.240 -0.612 206 1HZ LYS 27 1HZ LYS 27 -0.539 17.171 -2.080 207 2HZ LYS 27 2HZ LYS 27 1.030 17.400 -1.651 208 3HZ LYS 27 3HZ LYS 27 0.647 16.221 -2.727 209 H LEU 28 H LEU 28 -1.205 9.571 1.900 210 HA LEU 28 HA LEU 28 -3.456 11.115 2.844 211 1HB LEU 28 2HB LEU 28 -2.859 8.200 3.173 212 2HB LEU 28 3HB LEU 28 -4.364 9.025 3.474 213 HG LEU 28 HG LEU 28 -3.281 8.193 0.839 214 1HD1 LEU 28 1HD1 LEU 28 -6.103 8.699 1.888 215 2HD1 LEU 28 2HD1 LEU 28 -5.667 7.766 0.441 216 3HD1 LEU 28 3HD1 LEU 28 -5.258 7.156 2.052 217 1HD2 LEU 28 1HD2 LEU 28 -4.691 9.837 -0.382 218 2HD2 LEU 28 2HD2 LEU 28 -4.964 10.728 1.122 219 3HD2 LEU 28 3HD2 LEU 28 -3.332 10.625 0.414 220 H GLN 29 H GLN 29 -3.935 11.763 4.802 221 HA GLN 29 HA GLN 29 -1.982 11.680 6.784 222 1HB GLN 29 2HB GLN 29 -3.523 13.100 8.084 223 2HB GLN 29 3HB GLN 29 -3.473 13.566 6.382 224 1HG GLN 29 2HG GLN 29 -5.582 11.950 6.189 225 2HG GLN 29 3HG GLN 29 -5.669 12.192 7.935 226 1HE2 GLN 29 2HE2 GLN 29 -7.580 13.404 8.028 227 2HE2 GLN 29 1HE2 GLN 29 -7.730 14.977 7.264 228 H GLY 30 H GLY 30 -1.472 9.650 7.496 229 1HA GLY 30 1HA GLY 30 -2.515 8.253 9.581 230 2HA GLY 30 2HA GLY 30 -3.625 7.808 8.321 231 H VAL 31 H VAL 31 -1.164 8.064 6.341 232 HA VAL 31 HA VAL 31 -0.179 5.376 6.894 233 HB VAL 31 HB VAL 31 0.404 7.455 4.709 234 1HG1 VAL 31 1HG1 VAL 31 1.513 5.660 3.433 235 2HG1 VAL 31 2HG1 VAL 31 2.402 6.030 4.910 236 3HG1 VAL 31 3HG1 VAL 31 1.380 4.572 4.826 237 1HG2 VAL 31 1HG2 VAL 31 -0.876 5.885 3.276 238 2HG2 VAL 31 2HG2 VAL 31 -1.169 4.843 4.683 239 3HG2 VAL 31 3HG2 VAL 31 -1.861 6.479 4.613 240 H GLN 32 H GLN 32 1.925 4.830 7.345 241 HA GLN 32 HA GLN 32 3.562 6.880 8.784 242 1HB GLN 32 2HB GLN 32 3.145 3.899 9.068 243 2HB GLN 32 3HB GLN 32 4.520 4.707 9.802 244 1HG GLN 32 2HG GLN 32 1.815 5.793 10.347 245 2HG GLN 32 3HG GLN 32 2.346 4.324 11.160 246 1HE2 GLN 32 2HE2 GLN 32 3.270 4.710 13.238 247 2HE2 GLN 32 1HE2 GLN 32 4.175 6.149 13.570 248 H ARG 33 H ARG 33 3.668 4.095 6.488 249 HA ARG 33 HA ARG 33 6.034 5.084 5.126 250 1HB ARG 33 2HB ARG 33 6.449 3.387 7.419 251 2HB ARG 33 3HB ARG 33 6.546 2.339 6.014 252 1HG ARG 33 2HG ARG 33 8.728 3.079 6.500 253 2HG ARG 33 3HG ARG 33 8.252 3.903 5.003 254 1HD ARG 33 2HD ARG 33 7.881 5.987 6.185 255 2HD ARG 33 3HD ARG 33 7.931 5.160 7.758 256 HE ARG 33 HE ARG 33 10.408 4.754 6.412 257 1HH1 ARG 33 1HH2 ARG 33 8.551 7.295 7.982 258 2HH1 ARG 33 2HH2 ARG 33 9.920 8.133 8.649 259 1HH2 ARG 33 1HH1 ARG 33 12.276 5.805 7.302 260 2HH2 ARG 33 2HH1 ARG 33 12.103 7.258 8.229 261 H ILE 34 H ILE 34 6.605 3.459 3.375 262 HA ILE 34 HA ILE 34 4.559 1.621 2.633 263 HB ILE 34 HB ILE 34 3.425 3.643 2.072 264 1HG1 ILE 34 2HG1 ILE 34 4.645 2.667 -0.500 265 2HG1 ILE 34 3HG1 ILE 34 3.516 1.707 0.439 266 1HG2 ILE 34 1HG2 ILE 34 5.047 5.347 2.125 267 2HG2 ILE 34 2HG2 ILE 34 6.021 4.607 0.851 268 3HG2 ILE 34 3HG2 ILE 34 4.458 5.354 0.470 269 1HD1 ILE 34 1HD1 ILE 34 2.755 4.453 -0.558 270 2HD1 ILE 34 2HD1 ILE 34 2.369 2.926 -1.382 271 3HD1 ILE 34 3HD1 ILE 34 1.748 3.246 0.247 272 H LYS 35 H LYS 35 5.471 0.217 1.221 273 HA LYS 35 HA LYS 35 7.985 0.781 -0.002 274 1HB LYS 35 2HB LYS 35 7.710 -1.206 2.207 275 2HB LYS 35 3HB LYS 35 8.664 -1.690 0.809 276 1HG LYS 35 2HG LYS 35 9.076 0.823 2.494 277 2HG LYS 35 3HG LYS 35 9.957 -0.699 2.683 278 1HD LYS 35 2HD LYS 35 10.818 -0.517 0.365 279 2HD LYS 35 3HD LYS 35 9.986 1.035 0.170 280 1HE LYS 35 2HE LYS 35 11.689 1.012 2.569 281 2HE LYS 35 3HE LYS 35 12.593 0.682 1.087 282 1HZ LYS 35 1HZ LYS 35 10.778 2.976 1.444 283 2HZ LYS 35 2HZ LYS 35 12.427 3.039 1.537 284 3HZ LYS 35 3HZ LYS 35 11.688 2.661 0.117 285 H VAL 36 H VAL 36 7.058 0.913 -1.950 286 HA VAL 36 HA VAL 36 5.452 -1.395 -2.874 287 HB VAL 36 HB VAL 36 5.856 1.354 -4.007 288 1HG1 VAL 36 1HG1 VAL 36 4.027 0.689 -5.589 289 2HG1 VAL 36 2HG1 VAL 36 5.498 -0.260 -5.867 290 3HG1 VAL 36 3HG1 VAL 36 4.142 -0.980 -5.005 291 1HG2 VAL 36 1HG2 VAL 36 3.285 0.064 -3.013 292 2HG2 VAL 36 2HG2 VAL 36 4.370 0.864 -1.876 293 3HG2 VAL 36 3HG2 VAL 36 3.673 1.781 -3.201 294 H SER 37 H SER 37 6.756 -3.099 -3.394 295 HA SER 37 HA SER 37 9.312 -2.679 -4.738 296 1HB SER 37 2HB SER 37 7.846 -5.211 -4.197 297 2HB SER 37 3HB SER 37 9.550 -5.037 -4.624 298 HG SER 37 HG SER 37 9.147 -5.299 -2.324 299 H LEU 38 H LEU 38 9.648 -3.893 -6.802 300 HA LEU 38 HA LEU 38 7.284 -3.778 -8.613 301 1HB LEU 38 2HB LEU 38 8.950 -2.809 -10.266 302 2HB LEU 38 3HB LEU 38 8.214 -1.754 -9.076 303 HG LEU 38 HG LEU 38 11.020 -2.882 -8.869 304 1HD1 LEU 38 1HD1 LEU 38 11.746 -0.661 -9.677 305 2HD1 LEU 38 2HD1 LEU 38 10.775 -1.515 -10.883 306 3HD1 LEU 38 3HD1 LEU 38 10.045 -0.205 -9.928 307 1HD2 LEU 38 1HD2 LEU 38 11.137 -0.606 -7.437 308 2HD2 LEU 38 2HD2 LEU 38 9.400 -0.912 -7.236 309 3HD2 LEU 38 3HD2 LEU 38 10.605 -2.099 -6.687 310 H ASP 39 H ASP 39 10.687 -4.876 -8.206 311 HA ASP 39 HA ASP 39 10.785 -6.775 -10.179 312 1HB ASP 39 2HB ASP 39 11.949 -7.239 -7.379 313 2HB ASP 39 3HB ASP 39 12.613 -7.714 -8.928 314 H ASN 40 H ASN 40 9.936 -7.204 -6.774 315 HA ASN 40 HA ASN 40 9.065 -9.918 -7.219 316 1HB ASN 40 2HB ASN 40 10.406 -9.018 -5.275 317 2HB ASN 40 3HB ASN 40 8.838 -8.490 -4.634 318 1HD2 ASN 40 2HD2 ASN 40 10.232 -10.187 -3.059 319 2HD2 ASN 40 1HD2 ASN 40 9.608 -11.823 -3.177 320 H GLN 41 H GLN 41 7.541 -7.331 -8.147 321 HA GLN 41 HA GLN 41 5.621 -6.260 -7.986 322 1HB GLN 41 2HB GLN 41 5.637 -8.735 -9.374 323 2HB GLN 41 3HB GLN 41 4.055 -8.718 -8.625 324 1HG GLN 41 2HG GLN 41 3.615 -6.528 -9.717 325 2HG GLN 41 3HG GLN 41 5.280 -6.485 -10.286 326 1HE2 GLN 41 2HE2 GLN 41 5.067 -6.667 -12.513 327 2HE2 GLN 41 1HE2 GLN 41 4.221 -7.984 -13.313 328 H GLU 42 H GLU 42 5.880 -6.001 -5.571 329 HA GLU 42 HA GLU 42 3.426 -6.893 -4.215 330 1HB GLU 42 2HB GLU 42 5.090 -8.660 -3.689 331 2HB GLU 42 3HB GLU 42 6.162 -7.437 -2.983 332 1HG GLU 42 2HG GLU 42 4.569 -6.943 -1.234 333 2HG GLU 42 3HG GLU 42 3.280 -7.832 -2.064 334 H ALA 43 H ALA 43 2.702 -5.459 -2.749 335 HA ALA 43 HA ALA 43 4.214 -2.931 -2.467 336 1HB ALA 43 1HB ALA 43 1.398 -3.415 -3.371 337 2HB ALA 43 2HB ALA 43 1.838 -1.892 -2.561 338 3HB ALA 43 3HB ALA 43 2.636 -2.395 -4.062 339 H THR 44 H THR 44 4.834 -2.662 -0.499 340 HA THR 44 HA THR 44 3.294 -3.631 1.827 341 HB THR 44 HB THR 44 5.899 -2.022 1.598 342 HG1 THR 44 1HG THR 44 6.185 -3.988 0.621 343 1HG2 THR 44 1HG2 THR 44 4.665 -3.621 3.897 344 2HG2 THR 44 2HG2 THR 44 6.313 -2.958 3.899 345 3HG2 THR 44 3HG2 THR 44 4.922 -1.867 3.836 346 H ILE 45 H ILE 45 1.821 -2.244 2.759 347 HA ILE 45 HA ILE 45 2.373 0.693 2.588 348 HB ILE 45 HB ILE 45 -0.299 -0.776 2.540 349 1HG1 ILE 45 2HG1 ILE 45 -0.580 0.690 0.479 350 2HG1 ILE 45 3HG1 ILE 45 1.167 0.978 0.520 351 1HG2 ILE 45 1HG2 ILE 45 -0.457 1.178 3.998 352 2HG2 ILE 45 2HG2 ILE 45 0.380 2.187 2.788 353 3HG2 ILE 45 3HG2 ILE 45 -1.213 1.496 2.438 354 1HD1 ILE 45 1HD1 ILE 45 0.086 -1.836 0.415 355 2HD1 ILE 45 2HD1 ILE 45 0.108 -0.813 -1.042 356 3HD1 ILE 45 3HD1 ILE 45 1.614 -1.183 -0.231 357 H VAL 46 H VAL 46 2.734 1.549 4.584 358 HA VAL 46 HA VAL 46 2.079 -0.161 6.958 359 HB VAL 46 HB VAL 46 4.279 1.917 6.867 360 1HG1 VAL 46 1HG1 VAL 46 3.641 -0.473 8.625 361 2HG1 VAL 46 2HG1 VAL 46 5.118 0.507 8.743 362 3HG1 VAL 46 3HG1 VAL 46 3.534 1.238 9.071 363 1HG2 VAL 46 1HG2 VAL 46 4.400 -0.986 6.042 364 2HG2 VAL 46 2HG2 VAL 46 4.946 0.420 5.117 365 3HG2 VAL 46 3HG2 VAL 46 5.832 -0.077 6.566 366 H TYR 47 H TYR 47 0.342 0.669 8.052 367 HA TYR 47 HA TYR 47 0.028 3.616 8.102 368 1HB TYR 47 2HB TYR 47 -2.102 3.610 7.119 369 2HB TYR 47 3HB TYR 47 -1.190 2.551 6.061 370 HD1 TYR 47 1HD TYR 47 -1.534 0.010 6.258 371 HD2 TYR 47 2HD TYR 47 -3.975 2.821 8.440 372 HE1 TYR 47 1HE TYR 47 -3.139 -1.797 6.853 373 HE2 TYR 47 2HE TYR 47 -5.627 1.043 8.872 374 HH TYR 47 HH TYR 47 -4.979 -2.370 8.101 375 H GLN 48 H GLN 48 -1.813 4.332 9.406 376 HA GLN 48 HA GLN 48 -1.649 2.863 11.932 377 1HB GLN 48 2HB GLN 48 -0.807 5.170 11.590 378 2HB GLN 48 3HB GLN 48 -2.454 5.725 11.424 379 1HG GLN 48 2HG GLN 48 -3.051 5.002 13.678 380 2HG GLN 48 3HG GLN 48 -1.612 3.995 13.829 381 1HE2 GLN 48 2HE2 GLN 48 0.585 5.252 13.633 382 2HE2 GLN 48 1HE2 GLN 48 0.614 6.714 14.592 383 HA PRO 49 HA PRO 49 -5.934 1.735 10.931 384 1HB PRO 49 2HB PRO 49 -6.371 -0.184 12.783 385 2HB PRO 49 3HB PRO 49 -5.248 -0.417 11.415 386 1HG PRO 49 2HG PRO 49 -4.536 0.480 14.228 387 2HG PRO 49 3HG PRO 49 -3.836 -0.882 13.314 388 1HD PRO 49 2HD PRO 49 -2.659 1.547 13.367 389 2HD PRO 49 3HD PRO 49 -2.681 0.607 11.840 390 H HIS 50 H HIS 50 -6.331 3.956 11.564 391 HA HIS 50 HA HIS 50 -8.522 4.288 13.309 392 1HB HIS 50 2HB HIS 50 -5.814 4.930 14.499 393 2HB HIS 50 3HB HIS 50 -7.067 6.149 14.678 394 HD1 HIS 50 1HD HIS 50 -6.377 5.430 17.327 395 HD2 HIS 50 2HD HIS 50 -8.986 3.018 15.066 396 HE1 HIS 50 1HE HIS 50 -7.767 4.077 18.986 397 H LEU 51 H LEU 51 -5.680 5.805 11.734 398 HA LEU 51 HA LEU 51 -7.225 8.259 11.215 399 1HB LEU 51 2HB LEU 51 -4.467 7.419 10.497 400 2HB LEU 51 3HB LEU 51 -5.218 8.922 9.982 401 HG LEU 51 HG LEU 51 -5.676 9.454 12.448 402 1HD1 LEU 51 1HD1 LEU 51 -3.972 8.536 14.030 403 2HD1 LEU 51 2HD1 LEU 51 -5.110 7.297 13.505 404 3HD1 LEU 51 3HD1 LEU 51 -3.486 7.370 12.785 405 1HD2 LEU 51 1HD2 LEU 51 -4.029 10.643 11.033 406 2HD2 LEU 51 2HD2 LEU 51 -3.496 10.504 12.715 407 3HD2 LEU 51 3HD2 LEU 51 -2.791 9.448 11.481 408 H ILE 52 H ILE 52 -5.786 5.580 9.273 409 HA ILE 52 HA ILE 52 -7.674 6.134 7.093 410 HB ILE 52 HB ILE 52 -4.964 6.822 7.135 411 1HG1 ILE 52 2HG1 ILE 52 -5.272 6.761 4.548 412 2HG1 ILE 52 3HG1 ILE 52 -6.963 6.464 5.036 413 1HG2 ILE 52 1HG2 ILE 52 -5.014 4.249 5.545 414 2HG2 ILE 52 2HG2 ILE 52 -3.702 5.449 5.709 415 3HG2 ILE 52 3HG2 ILE 52 -4.209 4.569 7.133 416 1HD1 ILE 52 1HD1 ILE 52 -5.140 8.784 5.815 417 2HD1 ILE 52 2HD1 ILE 52 -6.568 8.890 4.773 418 3HD1 ILE 52 3HD1 ILE 52 -6.759 8.546 6.507 419 H SER 53 H SER 53 -7.939 4.189 5.692 420 HA SER 53 HA SER 53 -7.583 1.647 7.257 421 1HB SER 53 2HB SER 53 -9.767 1.025 6.418 422 2HB SER 53 3HB SER 53 -9.894 2.637 7.143 423 HG SER 53 HG SER 53 -9.818 3.541 5.105 424 H VAL 54 H VAL 54 -7.612 -0.336 6.015 425 HA VAL 54 HA VAL 54 -5.966 -0.599 3.769 426 HB VAL 54 HB VAL 54 -8.308 -2.259 4.733 427 1HG1 VAL 54 1HG1 VAL 54 -6.354 -2.849 2.480 428 2HG1 VAL 54 2HG1 VAL 54 -7.363 -4.085 3.278 429 3HG1 VAL 54 3HG1 VAL 54 -8.126 -2.788 2.368 430 1HG2 VAL 54 1HG2 VAL 54 -6.463 -3.817 5.422 431 2HG2 VAL 54 2HG2 VAL 54 -5.283 -2.608 4.885 432 3HG2 VAL 54 3HG2 VAL 54 -6.384 -2.244 6.234 433 H GLU 55 H GLU 55 -9.491 0.136 3.900 434 HA GLU 55 HA GLU 55 -9.856 -0.327 1.100 435 1HB GLU 55 2HB GLU 55 -11.666 -0.389 2.799 436 2HB GLU 55 3HB GLU 55 -11.514 1.369 2.923 437 1HG GLU 55 2HG GLU 55 -12.944 1.544 1.184 438 2HG GLU 55 3HG GLU 55 -11.797 0.666 0.156 439 H GLU 56 H GLU 56 -9.089 2.684 2.982 440 HA GLU 56 HA GLU 56 -9.136 4.451 0.777 441 1HB GLU 56 2HB GLU 56 -7.858 4.343 3.491 442 2HB GLU 56 3HB GLU 56 -7.134 5.435 2.367 443 1HG GLU 56 2HG GLU 56 -8.673 6.964 2.917 444 2HG GLU 56 3HG GLU 56 -9.875 5.922 2.149 445 H MET 57 H MET 57 -6.415 2.451 2.178 446 HA MET 57 HA MET 57 -4.534 3.020 0.275 447 1HB MET 57 2HB MET 57 -4.926 0.385 1.546 448 2HB MET 57 3HB MET 57 -3.494 1.054 0.799 449 1HG MET 57 2HG MET 57 -4.810 2.128 3.290 450 2HG MET 57 3HG MET 57 -3.363 1.164 3.196 451 1HE MET 57 1HE MET 57 -4.567 4.789 1.520 452 2HE MET 57 2HE MET 57 -4.986 4.615 3.243 453 3HE MET 57 3HE MET 57 -3.668 5.698 2.741 454 H LYS 58 H LYS 58 -6.660 0.078 0.040 455 HA LYS 58 HA LYS 58 -5.940 -0.533 -2.629 456 1HB LYS 58 2HB LYS 58 -6.773 -2.268 -1.861 457 2HB LYS 58 3HB LYS 58 -7.990 -1.486 -0.743 458 1HG LYS 58 2HG LYS 58 -9.442 -1.184 -2.681 459 2HG LYS 58 3HG LYS 58 -8.283 -1.935 -3.776 460 1HD LYS 58 2HD LYS 58 -9.069 -3.508 -1.331 461 2HD LYS 58 3HD LYS 58 -10.338 -3.271 -2.522 462 1HE LYS 58 2HE LYS 58 -7.640 -4.192 -3.535 463 2HE LYS 58 3HE LYS 58 -8.622 -5.368 -2.655 464 1HZ LYS 58 1HZ LYS 58 -9.787 -3.811 -4.848 465 2HZ LYS 58 2HZ LYS 58 -8.892 -5.044 -5.224 466 3HZ LYS 58 3HZ LYS 58 -10.258 -5.295 -4.295 467 H LYS 59 H LYS 59 -8.885 1.193 -1.566 468 HA LYS 59 HA LYS 59 -10.013 1.526 -4.074 469 1HB LYS 59 2HB LYS 59 -10.889 2.079 -1.786 470 2HB LYS 59 3HB LYS 59 -10.073 3.627 -1.888 471 1HG LYS 59 2HG LYS 59 -12.010 2.704 -4.059 472 2HG LYS 59 3HG LYS 59 -12.613 3.292 -2.505 473 1HD LYS 59 2HD LYS 59 -11.346 5.400 -2.775 474 2HD LYS 59 3HD LYS 59 -10.815 4.881 -4.390 475 1HE LYS 59 2HE LYS 59 -13.153 4.779 -5.163 476 2HE LYS 59 3HE LYS 59 -13.747 5.133 -3.530 477 1HZ LYS 59 1HZ LYS 59 -12.134 6.970 -5.166 478 2HZ LYS 59 2HZ LYS 59 -13.758 7.077 -4.908 479 3HZ LYS 59 3HZ LYS 59 -12.709 7.276 -3.656 480 H GLN 60 H GLN 60 -7.628 3.644 -2.380 481 HA GLN 60 HA GLN 60 -7.384 5.407 -4.718 482 1HB GLN 60 2HB GLN 60 -5.754 4.930 -2.269 483 2HB GLN 60 3HB GLN 60 -5.082 5.902 -3.566 484 1HG GLN 60 2HG GLN 60 -6.240 7.300 -1.840 485 2HG GLN 60 3HG GLN 60 -6.745 7.546 -3.508 486 1HE2 GLN 60 2HE2 GLN 60 -7.753 5.987 -0.447 487 2HE2 GLN 60 1HE2 GLN 60 -9.465 6.210 -0.739 488 H ILE 61 H ILE 61 -5.532 2.484 -3.734 489 HA ILE 61 HA ILE 61 -3.597 2.727 -5.856 490 HB ILE 61 HB ILE 61 -4.425 0.430 -4.075 491 1HG1 ILE 61 2HG1 ILE 61 -2.029 2.315 -4.289 492 2HG1 ILE 61 3HG1 ILE 61 -3.288 2.419 -3.104 493 1HG2 ILE 61 1HG2 ILE 61 -2.352 -0.709 -4.998 494 2HG2 ILE 61 2HG2 ILE 61 -3.677 -0.611 -6.140 495 3HG2 ILE 61 3HG2 ILE 61 -2.333 0.526 -6.279 496 1HD1 ILE 61 1HD1 ILE 61 -1.275 0.182 -3.309 497 2HD1 ILE 61 2HD1 ILE 61 -1.423 1.412 -2.045 498 3HD1 ILE 61 3HD1 ILE 61 -2.700 0.197 -2.228 499 H GLU 62 H GLU 62 -6.310 0.278 -5.606 500 HA GLU 62 HA GLU 62 -6.238 -0.438 -8.280 501 1HB GLU 62 2HB GLU 62 -7.902 -0.847 -5.921 502 2HB GLU 62 3HB GLU 62 -8.952 -0.376 -7.216 503 1HG GLU 62 2HG GLU 62 -8.072 -2.192 -8.593 504 2HG GLU 62 3HG GLU 62 -6.796 -2.532 -7.411 505 H ALA 63 H ALA 63 -7.762 2.559 -6.887 506 HA ALA 63 HA ALA 63 -9.250 3.213 -9.197 507 1HB ALA 63 1HB ALA 63 -8.878 5.594 -8.511 508 2HB ALA 63 2HB ALA 63 -9.487 4.552 -7.221 509 3HB ALA 63 3HB ALA 63 -7.759 5.007 -7.268 510 H MET 64 H MET 64 -5.698 3.399 -8.718 511 HA MET 64 HA MET 64 -5.107 5.017 -10.998 512 1HB MET 64 2HB MET 64 -3.534 2.721 -9.776 513 2HB MET 64 3HB MET 64 -2.945 3.960 -10.887 514 1HG MET 64 2HG MET 64 -3.763 4.301 -7.995 515 2HG MET 64 3HG MET 64 -2.187 4.514 -8.747 516 1HE MET 64 1HE MET 64 -2.845 8.117 -7.575 517 2HE MET 64 2HE MET 64 -3.212 6.590 -6.730 518 3HE MET 64 3HE MET 64 -1.676 6.778 -7.619 519 H GLY 65 H GLY 65 -5.733 1.531 -10.541 520 1HA GLY 65 1HA GLY 65 -6.947 0.571 -12.547 521 2HA GLY 65 2HA GLY 65 -5.511 1.020 -13.485 522 H PHE 66 H PHE 66 -3.935 0.409 -10.845 523 HA PHE 66 HA PHE 66 -3.033 -2.135 -11.765 524 1HB PHE 66 2HB PHE 66 -2.439 -0.618 -9.228 525 2HB PHE 66 3HB PHE 66 -1.414 -1.883 -9.935 526 HD1 PHE 66 1HD PHE 66 -1.652 1.516 -9.456 527 HD2 PHE 66 2HD PHE 66 -0.901 -1.281 -12.643 528 HE1 PHE 66 1HE PHE 66 -0.534 3.307 -10.755 529 HE2 PHE 66 2HE PHE 66 0.170 0.532 -13.965 530 HZ PHE 66 HZ PHE 66 0.275 2.836 -13.049 531 HA PRO 67 HA PRO 67 -6.009 -4.251 -8.985 532 1HB PRO 67 2HB PRO 67 -5.510 -6.847 -9.671 533 2HB PRO 67 3HB PRO 67 -6.431 -5.735 -10.730 534 1HG PRO 67 2HG PRO 67 -3.496 -6.413 -10.854 535 2HG PRO 67 3HG PRO 67 -4.661 -6.459 -12.207 536 1HD PRO 67 2HD PRO 67 -3.007 -4.345 -11.766 537 2HD PRO 67 3HD PRO 67 -4.681 -4.075 -12.342 538 H ALA 68 H ALA 68 -5.702 -5.170 -6.911 539 HA ALA 68 HA ALA 68 -2.962 -6.001 -6.165 540 1HB ALA 68 1HB ALA 68 -3.126 -3.533 -5.781 541 2HB ALA 68 2HB ALA 68 -4.458 -3.843 -4.646 542 3HB ALA 68 3HB ALA 68 -2.842 -4.527 -4.331 543 H PHE 69 H PHE 69 -2.881 -7.514 -4.711 544 HA PHE 69 HA PHE 69 -5.379 -8.575 -3.422 545 1HB PHE 69 2HB PHE 69 -2.904 -9.828 -4.459 546 2HB PHE 69 3HB PHE 69 -3.909 -10.657 -3.271 547 HD1 PHE 69 1HD PHE 69 -6.168 -11.443 -3.821 548 HD2 PHE 69 2HD PHE 69 -3.688 -9.530 -6.801 549 HE1 PHE 69 1HE PHE 69 -7.538 -12.452 -5.619 550 HE2 PHE 69 2HE PHE 69 -5.047 -10.546 -8.585 551 HZ PHE 69 HZ PHE 69 -6.976 -12.024 -8.005 552 H VAL 70 H VAL 70 -5.063 -6.892 -1.894 553 HA VAL 70 HA VAL 70 -3.162 -6.871 0.265 554 HB VAL 70 HB VAL 70 -4.425 -5.054 0.202 555 1HG1 VAL 70 1HG1 VAL 70 -6.929 -5.046 0.278 556 2HG1 VAL 70 2HG1 VAL 70 -6.179 -5.514 -1.253 557 3HG1 VAL 70 3HG1 VAL 70 -6.857 -6.769 -0.181 558 1HG2 VAL 70 1HG2 VAL 70 -5.938 -6.621 2.300 559 2HG2 VAL 70 2HG2 VAL 70 -4.214 -6.207 2.459 560 3HG2 VAL 70 3HG2 VAL 70 -5.428 -4.926 2.292 561 H LYS 71 H LYS 71 -2.553 -8.812 1.212 562 HA LYS 71 HA LYS 71 -4.629 -10.115 2.781 563 1HB LYS 71 2HB LYS 71 -4.201 -12.326 1.996 564 2HB LYS 71 3HB LYS 71 -4.956 -11.292 0.773 565 1HG LYS 71 2HG LYS 71 -2.693 -10.842 -0.145 566 2HG LYS 71 3HG LYS 71 -2.040 -12.027 0.985 567 1HD LYS 71 2HD LYS 71 -3.856 -13.654 -0.014 568 2HD LYS 71 3HD LYS 71 -3.972 -12.504 -1.344 569 1HE LYS 71 2HE LYS 71 -1.504 -14.065 -0.413 570 2HE LYS 71 3HE LYS 71 -2.436 -14.365 -1.885 571 1HZ LYS 71 1HZ LYS 71 -0.896 -11.908 -1.325 572 2HZ LYS 71 2HZ LYS 71 -0.414 -13.136 -2.305 573 3HZ LYS 71 3HZ LYS 71 -1.727 -12.228 -2.707 574 H LYS 72 H LYS 72 -2.783 -8.615 3.965 575 HA LYS 72 HA LYS 72 -1.331 -10.579 5.552 576 1HB LYS 72 2HB LYS 72 -0.020 -9.131 3.440 577 2HB LYS 72 3HB LYS 72 0.485 -8.397 4.956 578 1HG LYS 72 2HG LYS 72 2.126 -9.921 4.799 579 2HG LYS 72 3HG LYS 72 0.979 -10.855 5.719 580 1HD LYS 72 2HD LYS 72 0.484 -11.230 2.835 581 2HD LYS 72 3HD LYS 72 2.208 -11.370 3.151 582 1HE LYS 72 2HE LYS 72 1.139 -13.558 3.269 583 2HE LYS 72 3HE LYS 72 1.836 -13.109 4.838 584 1HZ LYS 72 1HZ LYS 72 -1.000 -12.669 4.163 585 2HZ LYS 72 2HZ LYS 72 -0.453 -14.057 4.894 586 3HZ LYS 72 3HZ LYS 72 -0.282 -12.607 5.645 587 H ILE 73 H ILE 73 -1.222 -9.838 7.642 588 HA ILE 73 HA ILE 73 -1.444 -6.945 8.184 589 HB ILE 73 HB ILE 73 -3.200 -9.107 9.459 590 1HG1 ILE 73 2HG1 ILE 73 -4.884 -7.071 8.857 591 2HG1 ILE 73 3HG1 ILE 73 -3.695 -6.766 7.605 592 1HG2 ILE 73 1HG2 ILE 73 -2.807 -6.205 10.275 593 2HG2 ILE 73 2HG2 ILE 73 -4.046 -7.298 10.925 594 3HG2 ILE 73 3HG2 ILE 73 -2.350 -7.618 11.243 595 1HD1 ILE 73 1HD1 ILE 73 -5.295 -9.323 8.096 596 2HD1 ILE 73 2HD1 ILE 73 -5.522 -8.156 6.779 597 3HD1 ILE 73 3HD1 ILE 73 -4.078 -9.175 6.818 598 H GLU 74 H GLU 74 0.835 -7.299 8.241 599 HA GLU 74 HA GLU 74 1.831 -8.809 10.651 600 1HB GLU 74 2HB GLU 74 3.082 -8.141 7.985 601 2HB GLU 74 3HB GLU 74 4.099 -8.456 9.384 602 1HG GLU 74 2HG GLU 74 3.498 -10.689 9.475 603 2HG GLU 74 3HG GLU 74 1.896 -10.413 8.780 604 H GLY 75 H GLY 75 3.873 -7.653 11.589 605 1HA GLY 75 1HA GLY 75 3.833 -4.738 11.546 606 2HA GLY 75 2HA GLY 75 3.238 -5.479 13.050 607 H ARG 76 H ARG 76 5.890 -3.975 12.277 608 HA ARG 76 HA ARG 76 7.765 -5.134 13.878 609 1HB ARG 76 2HB ARG 76 9.361 -6.038 12.218 610 2HB ARG 76 3HB ARG 76 7.954 -7.043 12.361 611 1HG ARG 76 2HG ARG 76 7.526 -6.922 10.158 612 2HG ARG 76 3HG ARG 76 7.377 -5.165 10.249 613 1HD ARG 76 2HD ARG 76 9.967 -6.713 9.833 614 2HD ARG 76 3HD ARG 76 9.093 -5.728 8.622 615 HE ARG 76 HE ARG 76 9.574 -4.238 11.004 616 1HH1 ARG 76 1HH2 ARG 76 11.489 -5.289 8.277 617 2HH1 ARG 76 2HH2 ARG 76 12.672 -4.022 8.458 618 1HH2 ARG 76 1HH1 ARG 76 10.873 -2.751 11.340 619 2HH2 ARG 76 2HH1 ARG 76 12.299 -2.411 10.346 Start of MODEL 5 1 1H GLY 1 1H GLY 1 2.713 4.220 16.042 2 2H GLY 1 2H GLY 1 4.268 3.726 16.407 3 3H GLY 1 3H GLY 1 3.620 3.589 14.882 4 1HA GLY 1 1HA GLY 1 3.697 1.448 16.143 5 2HA GLY 1 2HA GLY 1 2.463 2.182 17.186 6 H GLU 2 H GLU 2 3.215 0.922 13.985 7 HA GLU 2 HA GLU 2 0.418 1.200 13.028 8 1HB GLU 2 2HB GLU 2 3.028 2.123 11.751 9 2HB GLU 2 3HB GLU 2 1.603 1.785 10.788 10 1HG GLU 2 2HG GLU 2 1.433 4.106 11.130 11 2HG GLU 2 3HG GLU 2 0.299 3.390 12.265 12 H VAL 3 H VAL 3 0.382 0.002 10.825 13 HA VAL 3 HA VAL 3 1.548 -2.720 11.210 14 HB VAL 3 HB VAL 3 -1.223 -1.781 10.443 15 1HG1 VAL 3 1HG1 VAL 3 -1.970 -4.021 10.371 16 2HG1 VAL 3 2HG1 VAL 3 -0.662 -3.838 9.205 17 3HG1 VAL 3 3HG1 VAL 3 -0.336 -4.653 10.754 18 1HG2 VAL 3 1HG2 VAL 3 -0.937 -1.608 12.868 19 2HG2 VAL 3 2HG2 VAL 3 -1.901 -3.058 12.551 20 3HG2 VAL 3 3HG2 VAL 3 -0.180 -3.212 12.932 21 H VAL 4 H VAL 4 2.176 -3.710 9.356 22 HA VAL 4 HA VAL 4 2.340 -2.148 6.847 23 HB VAL 4 HB VAL 4 3.614 -4.627 7.843 24 1HG1 VAL 4 1HG1 VAL 4 3.502 -3.527 5.049 25 2HG1 VAL 4 2HG1 VAL 4 4.885 -4.518 5.592 26 3HG1 VAL 4 3HG1 VAL 4 3.249 -5.189 5.597 27 1HG2 VAL 4 1HG2 VAL 4 4.597 -2.508 8.628 28 2HG2 VAL 4 2HG2 VAL 4 5.705 -3.406 7.575 29 3HG2 VAL 4 3HG2 VAL 4 4.810 -2.023 6.928 30 H LEU 5 H LEU 5 0.728 -2.406 5.435 31 HA LEU 5 HA LEU 5 -0.733 -5.005 5.257 32 1HB LEU 5 2HB LEU 5 -1.288 -2.155 4.398 33 2HB LEU 5 3HB LEU 5 -1.988 -3.474 3.467 34 HG LEU 5 HG LEU 5 -3.378 -2.447 5.371 35 1HD1 LEU 5 1HD1 LEU 5 -2.980 -5.370 4.770 36 2HD1 LEU 5 2HD1 LEU 5 -4.111 -4.920 6.062 37 3HD1 LEU 5 3HD1 LEU 5 -4.342 -4.323 4.418 38 1HD2 LEU 5 1HD2 LEU 5 -1.738 -4.309 7.127 39 2HD2 LEU 5 2HD2 LEU 5 -1.645 -2.529 7.146 40 3HD2 LEU 5 3HD2 LEU 5 -3.152 -3.368 7.576 41 H LYS 6 H LYS 6 -0.088 -6.367 3.695 42 HA LYS 6 HA LYS 6 1.943 -5.432 1.734 43 1HB LYS 6 2HB LYS 6 2.099 -7.511 3.576 44 2HB LYS 6 3HB LYS 6 1.614 -8.323 2.089 45 1HG LYS 6 2HG LYS 6 3.864 -8.461 2.038 46 2HG LYS 6 3HG LYS 6 3.595 -7.077 0.977 47 1HD LYS 6 2HD LYS 6 4.336 -5.523 2.648 48 2HD LYS 6 3HD LYS 6 4.105 -6.697 3.951 49 1HE LYS 6 2HE LYS 6 5.995 -7.876 2.133 50 2HE LYS 6 3HE LYS 6 6.496 -6.207 2.371 51 1HZ LYS 6 1HZ LYS 6 5.829 -8.042 4.599 52 2HZ LYS 6 2HZ LYS 6 7.356 -7.854 4.010 53 3HZ LYS 6 3HZ LYS 6 6.555 -6.597 4.715 54 H MET 7 H MET 7 1.078 -5.214 -0.297 55 HA MET 7 HA MET 7 -1.287 -6.836 -1.048 56 1HB MET 7 2HB MET 7 -0.690 -4.287 -2.490 57 2HB MET 7 3HB MET 7 -2.212 -5.072 -2.074 58 1HG MET 7 2HG MET 7 -1.907 -4.314 0.288 59 2HG MET 7 3HG MET 7 -0.456 -3.441 -0.217 60 1HE MET 7 1HE MET 7 -1.717 -1.514 1.121 61 2HE MET 7 2HE MET 7 -3.201 -0.732 0.532 62 3HE MET 7 3HE MET 7 -3.274 -2.360 1.238 63 H LYS 8 H LYS 8 -0.933 -8.205 -2.779 64 HA LYS 8 HA LYS 8 1.604 -7.932 -4.312 65 1HB LYS 8 2HB LYS 8 -0.714 -9.885 -4.574 66 2HB LYS 8 3HB LYS 8 0.630 -9.733 -5.704 67 1HG LYS 8 2HG LYS 8 1.279 -11.382 -4.375 68 2HG LYS 8 3HG LYS 8 2.200 -9.987 -3.742 69 1HD LYS 8 2HD LYS 8 0.620 -9.788 -1.836 70 2HD LYS 8 3HD LYS 8 -0.354 -11.092 -2.508 71 1HE LYS 8 2HE LYS 8 2.356 -11.140 -1.137 72 2HE LYS 8 3HE LYS 8 0.925 -12.093 -0.758 73 1HZ LYS 8 1HZ LYS 8 2.760 -12.400 -3.038 74 2HZ LYS 8 2HZ LYS 8 2.583 -13.443 -1.789 75 3HZ LYS 8 3HZ LYS 8 1.365 -13.275 -2.892 76 H VAL 9 H VAL 9 1.692 -6.787 -6.300 77 HA VAL 9 HA VAL 9 -0.908 -5.771 -7.358 78 HB VAL 9 HB VAL 9 0.242 -3.703 -7.867 79 1HG1 VAL 9 1HG1 VAL 9 0.286 -2.711 -5.652 80 2HG1 VAL 9 2HG1 VAL 9 -1.020 -3.901 -5.748 81 3HG1 VAL 9 3HG1 VAL 9 0.484 -4.306 -4.892 82 1HG2 VAL 9 1HG2 VAL 9 2.512 -4.291 -8.085 83 2HG2 VAL 9 2HG2 VAL 9 2.433 -3.195 -6.691 84 3HG2 VAL 9 3HG2 VAL 9 2.620 -4.922 -6.422 85 H GLU 10 H GLU 10 -1.085 -5.970 -9.508 86 HA GLU 10 HA GLU 10 1.167 -7.298 -10.951 87 1HB GLU 10 2HB GLU 10 -1.757 -7.194 -11.634 88 2HB GLU 10 3HB GLU 10 -0.513 -8.095 -12.505 89 1HG GLU 10 2HG GLU 10 -0.972 -9.838 -11.132 90 2HG GLU 10 3HG GLU 10 -0.282 -8.878 -9.820 91 H GLY 11 H GLY 11 1.918 -6.534 -12.855 92 1HA GLY 11 1HA GLY 11 1.754 -5.318 -14.886 93 2HA GLY 11 2HA GLY 11 0.637 -4.171 -14.151 94 H MET 12 H MET 12 2.291 -3.646 -11.779 95 HA MET 12 HA MET 12 3.915 -1.507 -12.811 96 1HB MET 12 2HB MET 12 3.603 -2.795 -10.086 97 2HB MET 12 3HB MET 12 4.678 -1.421 -10.392 98 1HG MET 12 2HG MET 12 2.977 0.070 -10.612 99 2HG MET 12 3HG MET 12 1.926 -1.060 -11.458 100 1HE MET 12 1HE MET 12 2.300 -0.867 -6.870 101 2HE MET 12 2HE MET 12 3.556 -1.623 -7.887 102 3HE MET 12 3HE MET 12 3.260 0.121 -7.990 103 H THR 13 H THR 13 5.427 -2.335 -14.233 104 HA THR 13 HA THR 13 7.626 -4.018 -13.123 105 HB THR 13 HB THR 13 6.712 -3.720 -15.983 106 HG1 THR 13 1HG THR 13 5.624 -5.616 -15.648 107 1HG2 THR 13 1HG2 THR 13 8.514 -5.756 -14.591 108 2HG2 THR 13 2HG2 THR 13 7.974 -5.852 -16.281 109 3HG2 THR 13 3HG2 THR 13 9.046 -4.541 -15.774 110 H CYS 14 HN CYS 14 7.840 -1.432 -12.356 111 HA CYS 14 HA CYS 14 10.039 -0.279 -13.850 112 1HB CYS 14 2HB CYS 14 8.650 1.809 -14.354 113 2HB CYS 14 3HB CYS 14 8.279 0.411 -15.358 114 H HIS 15 H HIS 15 10.826 1.610 -12.765 115 HA HIS 15 HA HIS 15 10.184 1.857 -9.913 116 1HB HIS 15 2HB HIS 15 11.791 3.888 -10.183 117 2HB HIS 15 3HB HIS 15 12.373 2.230 -10.124 118 HD1 HIS 15 1HD HIS 15 13.984 1.548 -11.973 119 HD2 HIS 15 2HD HIS 15 11.534 4.828 -12.958 120 HE1 HIS 15 1HE HIS 15 14.741 2.361 -14.271 121 H SER 16 H SER 16 9.280 3.437 -12.967 122 HA SER 16 HA SER 16 8.436 5.874 -12.030 123 1HB SER 16 2HB SER 16 7.101 4.289 -14.265 124 2HB SER 16 3HB SER 16 7.202 6.052 -14.070 125 HG SER 16 HG SER 16 8.850 5.341 -15.459 126 H CYS 17 HN CYS 17 6.063 3.188 -12.720 127 HA CYS 17 HA CYS 17 3.933 4.554 -11.529 128 1HB CYS 17 2HB CYS 17 4.290 1.562 -11.936 129 2HB CYS 17 3HB CYS 17 2.772 2.401 -11.582 130 H THR 18 H THR 18 6.071 2.034 -10.137 131 HA THR 18 HA THR 18 4.919 1.783 -7.596 132 HB THR 18 HB THR 18 7.258 1.117 -6.920 133 HG1 THR 18 1HG THR 18 8.142 1.128 -9.516 134 1HG2 THR 18 1HG2 THR 18 6.375 -0.091 -9.592 135 2HG2 THR 18 2HG2 THR 18 7.380 -0.859 -8.351 136 3HG2 THR 18 3HG2 THR 18 5.672 -0.530 -8.033 137 H SER 19 H SER 19 7.618 4.000 -8.540 138 HA SER 19 HA SER 19 7.697 5.472 -6.104 139 1HB SER 19 2HB SER 19 9.430 5.510 -7.862 140 2HB SER 19 3HB SER 19 8.336 6.421 -8.929 141 HG SER 19 HG SER 19 9.835 7.728 -7.706 142 H THR 20 H THR 20 5.770 6.172 -9.104 143 HA THR 20 HA THR 20 4.612 8.574 -8.203 144 HB THR 20 HB THR 20 3.547 6.404 -10.060 145 HG1 THR 20 1HG THR 20 4.969 8.829 -10.412 146 1HG2 THR 20 1HG2 THR 20 2.533 9.245 -9.632 147 2HG2 THR 20 2HG2 THR 20 2.127 8.212 -11.020 148 3HG2 THR 20 3HG2 THR 20 1.625 7.733 -9.394 149 H ILE 21 H ILE 21 3.438 5.158 -7.712 150 HA ILE 21 HA ILE 21 1.090 5.877 -6.300 151 HB ILE 21 HB ILE 21 2.902 3.455 -6.684 152 1HG1 ILE 21 2HG1 ILE 21 -0.025 3.715 -7.398 153 2HG1 ILE 21 3HG1 ILE 21 1.241 4.374 -8.427 154 1HG2 ILE 21 1HG2 ILE 21 1.262 2.067 -5.584 155 2HG2 ILE 21 2HG2 ILE 21 2.115 3.162 -4.487 156 3HG2 ILE 21 3HG2 ILE 21 0.434 3.544 -5.004 157 1HD1 ILE 21 1HD1 ILE 21 0.864 1.456 -7.686 158 2HD1 ILE 21 2HD1 ILE 21 0.811 2.201 -9.290 159 3HD1 ILE 21 3HD1 ILE 21 2.343 2.098 -8.444 160 H GLU 22 H GLU 22 4.403 4.910 -5.253 161 HA GLU 22 HA GLU 22 4.117 5.143 -2.501 162 1HB GLU 22 2HB GLU 22 6.335 5.220 -4.450 163 2HB GLU 22 3HB GLU 22 6.697 6.221 -3.086 164 1HG GLU 22 2HG GLU 22 6.030 4.188 -1.624 165 2HG GLU 22 3HG GLU 22 5.938 3.283 -3.143 166 H GLY 23 H GLY 23 4.871 7.783 -4.806 167 1HA GLY 23 1HA GLY 23 4.863 9.939 -3.005 168 2HA GLY 23 2HA GLY 23 4.450 10.026 -4.725 169 H LYS 24 H LYS 24 2.134 8.817 -5.099 170 HA LYS 24 HA LYS 24 0.294 10.719 -4.176 171 1HB LYS 24 2HB LYS 24 0.215 8.993 -6.193 172 2HB LYS 24 3HB LYS 24 -0.636 7.964 -5.068 173 1HG LYS 24 2HG LYS 24 -1.474 10.827 -5.745 174 2HG LYS 24 3HG LYS 24 -2.076 9.394 -6.562 175 1HD LYS 24 2HD LYS 24 -2.874 8.556 -4.236 176 2HD LYS 24 3HD LYS 24 -2.504 10.186 -3.666 177 1HE LYS 24 2HE LYS 24 -4.787 10.297 -4.120 178 2HE LYS 24 3HE LYS 24 -4.042 11.076 -5.518 179 1HZ LYS 24 1HZ LYS 24 -5.111 8.317 -5.375 180 2HZ LYS 24 2HZ LYS 24 -5.770 9.581 -6.174 181 3HZ LYS 24 3HZ LYS 24 -4.355 8.935 -6.701 182 H ILE 25 H ILE 25 0.637 7.334 -3.214 183 HA ILE 25 HA ILE 25 -1.426 7.504 -1.230 184 HB ILE 25 HB ILE 25 0.613 5.373 -1.749 185 1HG1 ILE 25 2HG1 ILE 25 -0.722 5.735 -3.676 186 2HG1 ILE 25 3HG1 ILE 25 -1.024 4.167 -2.923 187 1HG2 ILE 25 1HG2 ILE 25 -0.242 5.151 0.551 188 2HG2 ILE 25 2HG2 ILE 25 -1.899 5.171 -0.046 189 3HG2 ILE 25 3HG2 ILE 25 -0.805 3.841 -0.490 190 1HD1 ILE 25 1HD1 ILE 25 -2.740 6.658 -2.704 191 2HD1 ILE 25 2HD1 ILE 25 -3.106 5.218 -3.668 192 3HD1 ILE 25 3HD1 ILE 25 -3.073 5.108 -1.892 193 H GLY 26 H GLY 26 2.132 7.839 -1.180 194 1HA GLY 26 1HA GLY 26 2.671 7.911 1.540 195 2HA GLY 26 2HA GLY 26 3.429 8.941 0.312 196 H LYS 27 H LYS 27 0.879 10.341 -0.439 197 HA LYS 27 HA LYS 27 0.910 12.280 1.742 198 1HB LYS 27 2HB LYS 27 1.317 12.950 -0.527 199 2HB LYS 27 3HB LYS 27 -0.207 12.266 -1.086 200 1HG LYS 27 2HG LYS 27 -1.489 13.877 -0.177 201 2HG LYS 27 3HG LYS 27 -0.358 14.278 1.121 202 1HD LYS 27 2HD LYS 27 0.304 14.899 -1.779 203 2HD LYS 27 3HD LYS 27 -0.682 16.003 -0.799 204 1HE LYS 27 2HE LYS 27 1.075 16.205 0.896 205 2HE LYS 27 3HE LYS 27 2.095 15.031 0.053 206 1HZ LYS 27 1HZ LYS 27 1.290 17.656 -1.017 207 2HZ LYS 27 2HZ LYS 27 2.756 17.281 -0.374 208 3HZ LYS 27 3HZ LYS 27 2.271 16.564 -1.770 209 H LEU 28 H LEU 28 -0.878 9.406 1.495 210 HA LEU 28 HA LEU 28 -3.484 10.498 2.077 211 1HB LEU 28 2HB LEU 28 -2.225 7.811 2.743 212 2HB LEU 28 3HB LEU 28 -3.891 8.274 2.993 213 HG LEU 28 HG LEU 28 -2.584 7.336 0.573 214 1HD1 LEU 28 1HD1 LEU 28 -4.788 6.478 0.103 215 2HD1 LEU 28 2HD1 LEU 28 -4.411 6.237 1.820 216 3HD1 LEU 28 3HD1 LEU 28 -5.500 7.548 1.335 217 1HD2 LEU 28 1HD2 LEU 28 -4.574 9.621 0.233 218 2HD2 LEU 28 2HD2 LEU 28 -2.876 9.623 -0.309 219 3HD2 LEU 28 3HD2 LEU 28 -4.033 8.516 -1.041 220 H GLN 29 H GLN 29 -4.486 10.514 4.130 221 HA GLN 29 HA GLN 29 -2.709 11.092 6.411 222 1HB GLN 29 2HB GLN 29 -4.594 12.538 5.904 223 2HB GLN 29 3HB GLN 29 -5.739 11.209 6.109 224 1HG GLN 29 2HG GLN 29 -5.660 11.271 8.382 225 2HG GLN 29 3HG GLN 29 -3.914 11.534 8.427 226 1HE2 GLN 29 2HE2 GLN 29 -4.848 12.909 10.331 227 2HE2 GLN 29 1HE2 GLN 29 -5.089 14.595 9.909 228 H GLY 30 H GLY 30 -2.336 9.612 7.993 229 1HA GLY 30 1HA GLY 30 -3.080 7.962 9.522 230 2HA GLY 30 2HA GLY 30 -4.107 7.219 8.296 231 H VAL 31 H VAL 31 -0.888 8.214 7.354 232 HA VAL 31 HA VAL 31 0.067 5.424 7.432 233 HB VAL 31 HB VAL 31 0.348 7.686 5.361 234 1HG1 VAL 31 1HG1 VAL 31 2.464 6.433 5.376 235 2HG1 VAL 31 2HG1 VAL 31 1.564 4.893 5.311 236 3HG1 VAL 31 3HG1 VAL 31 1.545 6.012 3.932 237 1HG2 VAL 31 1HG2 VAL 31 -0.805 6.062 3.841 238 2HG2 VAL 31 2HG2 VAL 31 -1.001 4.977 5.237 239 3HG2 VAL 31 3HG2 VAL 31 -1.803 6.574 5.210 240 H GLN 32 H GLN 32 2.200 5.070 7.992 241 HA GLN 32 HA GLN 32 3.741 7.450 8.928 242 1HB GLN 32 2HB GLN 32 4.876 6.083 10.388 243 2HB GLN 32 3HB GLN 32 3.150 5.762 10.609 244 1HG GLN 32 2HG GLN 32 3.343 3.599 10.047 245 2HG GLN 32 3HG GLN 32 4.419 3.872 8.722 246 1HE2 GLN 32 2HE2 GLN 32 4.537 3.816 12.330 247 2HE2 GLN 32 1HE2 GLN 32 6.222 3.298 12.361 248 H ARG 33 H ARG 33 3.744 4.702 6.680 249 HA ARG 33 HA ARG 33 6.048 5.671 5.232 250 1HB ARG 33 2HB ARG 33 6.322 3.440 7.247 251 2HB ARG 33 3HB ARG 33 6.890 3.074 5.625 252 1HG ARG 33 2HG ARG 33 8.243 5.219 5.690 253 2HG ARG 33 3HG ARG 33 7.853 5.309 7.419 254 1HD ARG 33 2HD ARG 33 8.886 3.031 7.728 255 2HD ARG 33 3HD ARG 33 9.175 2.943 5.996 256 HE ARG 33 HE ARG 33 10.992 4.286 6.134 257 1HH1 ARG 33 1HH2 ARG 33 9.184 4.557 9.146 258 2HH1 ARG 33 2HH2 ARG 33 10.388 5.487 9.984 259 1HH2 ARG 33 1HH1 ARG 33 12.591 5.582 7.170 260 2HH2 ARG 33 2HH1 ARG 33 12.376 6.101 8.809 261 H ILE 34 H ILE 34 6.527 4.120 3.430 262 HA ILE 34 HA ILE 34 4.498 2.286 2.681 263 HB ILE 34 HB ILE 34 3.411 4.402 2.090 264 1HG1 ILE 34 2HG1 ILE 34 4.432 3.072 -0.440 265 2HG1 ILE 34 3HG1 ILE 34 3.265 2.340 0.656 266 1HG2 ILE 34 1HG2 ILE 34 5.364 5.881 1.909 267 2HG2 ILE 34 2HG2 ILE 34 5.892 5.054 0.438 268 3HG2 ILE 34 3HG2 ILE 34 4.387 5.984 0.454 269 1HD1 ILE 34 1HD1 ILE 34 2.784 5.006 -0.706 270 2HD1 ILE 34 2HD1 ILE 34 2.098 3.437 -1.176 271 3HD1 ILE 34 3HD1 ILE 34 1.713 4.141 0.408 272 H LYS 35 H LYS 35 5.463 0.935 1.150 273 HA LYS 35 HA LYS 35 7.951 1.601 -0.044 274 1HB LYS 35 2HB LYS 35 7.751 -0.460 2.117 275 2HB LYS 35 3HB LYS 35 8.697 -0.876 0.684 276 1HG LYS 35 2HG LYS 35 9.129 1.552 2.469 277 2HG LYS 35 3HG LYS 35 10.023 0.025 2.569 278 1HD LYS 35 2HD LYS 35 10.753 0.336 0.173 279 2HD LYS 35 3HD LYS 35 9.968 1.927 0.187 280 1HE LYS 35 2HE LYS 35 11.419 2.535 2.186 281 2HE LYS 35 3HE LYS 35 12.342 1.054 1.866 282 1HZ LYS 35 1HZ LYS 35 11.915 3.285 -0.023 283 2HZ LYS 35 2HZ LYS 35 13.314 2.970 0.787 284 3HZ LYS 35 3HZ LYS 35 12.767 1.921 -0.358 285 H VAL 36 H VAL 36 8.321 0.500 -2.047 286 HA VAL 36 HA VAL 36 6.351 -1.654 -2.651 287 HB VAL 36 HB VAL 36 6.983 0.757 -4.401 288 1HG1 VAL 36 1HG1 VAL 36 5.260 -1.720 -4.900 289 2HG1 VAL 36 2HG1 VAL 36 5.191 -0.241 -5.870 290 3HG1 VAL 36 3HG1 VAL 36 6.685 -1.196 -5.829 291 1HG2 VAL 36 1HG2 VAL 36 5.312 1.272 -2.606 292 2HG2 VAL 36 2HG2 VAL 36 4.577 1.267 -4.203 293 3HG2 VAL 36 3HG2 VAL 36 4.349 -0.120 -3.119 294 H SER 37 H SER 37 7.012 -3.242 -3.991 295 HA SER 37 HA SER 37 9.916 -3.444 -4.627 296 1HB SER 37 2HB SER 37 7.950 -5.633 -4.178 297 2HB SER 37 3HB SER 37 9.709 -5.790 -4.298 298 HG SER 37 HG SER 37 8.768 -5.791 -2.103 299 H LEU 38 H LEU 38 10.279 -4.915 -6.540 300 HA LEU 38 HA LEU 38 8.188 -4.602 -8.669 301 1HB LEU 38 2HB LEU 38 9.699 -3.125 -9.341 302 2HB LEU 38 3HB LEU 38 11.067 -3.888 -8.524 303 HG LEU 38 HG LEU 38 11.361 -5.469 -10.300 304 1HD1 LEU 38 1HD1 LEU 38 9.290 -6.084 -11.244 305 2HD1 LEU 38 2HD1 LEU 38 8.722 -4.402 -11.285 306 3HD1 LEU 38 3HD1 LEU 38 9.914 -4.993 -12.472 307 1HD2 LEU 38 1HD2 LEU 38 10.910 -2.683 -11.438 308 2HD2 LEU 38 2HD2 LEU 38 12.331 -3.192 -10.501 309 3HD2 LEU 38 3HD2 LEU 38 12.005 -3.928 -12.079 310 H ASP 39 H ASP 39 11.183 -6.491 -7.850 311 HA ASP 39 HA ASP 39 10.937 -8.539 -9.536 312 1HB ASP 39 2HB ASP 39 11.591 -8.948 -6.575 313 2HB ASP 39 3HB ASP 39 12.180 -9.873 -7.942 314 H ASN 40 H ASN 40 9.576 -8.586 -6.257 315 HA ASN 40 HA ASN 40 8.059 -10.959 -6.917 316 1HB ASN 40 2HB ASN 40 9.384 -10.577 -4.794 317 2HB ASN 40 3HB ASN 40 7.958 -9.670 -4.254 318 1HD2 ASN 40 2HD2 ASN 40 6.703 -11.064 -2.887 319 2HD2 ASN 40 1HD2 ASN 40 6.588 -12.790 -3.177 320 H GLN 41 H GLN 41 7.462 -8.066 -7.843 321 HA GLN 41 HA GLN 41 6.067 -6.378 -7.748 322 1HB GLN 41 2HB GLN 41 5.454 -8.491 -9.403 323 2HB GLN 41 3HB GLN 41 3.872 -8.179 -8.712 324 1HG GLN 41 2HG GLN 41 4.108 -5.792 -9.444 325 2HG GLN 41 3HG GLN 41 5.759 -6.132 -9.975 326 1HE2 GLN 41 2HE2 GLN 41 5.298 -5.418 -12.068 327 2HE2 GLN 41 1HE2 GLN 41 4.481 -6.451 -13.219 328 H GLU 42 H GLU 42 6.026 -6.054 -5.407 329 HA GLU 42 HA GLU 42 3.424 -6.631 -4.116 330 1HB GLU 42 2HB GLU 42 5.124 -8.425 -3.641 331 2HB GLU 42 3HB GLU 42 6.134 -7.211 -2.842 332 1HG GLU 42 2HG GLU 42 4.484 -6.885 -1.125 333 2HG GLU 42 3HG GLU 42 3.253 -7.789 -2.028 334 H ALA 43 H ALA 43 2.853 -5.192 -2.487 335 HA ALA 43 HA ALA 43 4.334 -2.605 -2.399 336 1HB ALA 43 1HB ALA 43 2.411 -2.528 -3.943 337 2HB ALA 43 2HB ALA 43 1.341 -3.082 -2.638 338 3HB ALA 43 3HB ALA 43 2.148 -1.505 -2.518 339 H THR 44 H THR 44 4.539 -1.730 -0.454 340 HA THR 44 HA THR 44 3.468 -3.021 2.015 341 HB THR 44 HB THR 44 6.065 -1.480 1.329 342 HG1 THR 44 1HG THR 44 7.007 -3.439 1.547 343 1HG2 THR 44 1HG2 THR 44 5.116 -2.532 4.011 344 2HG2 THR 44 2HG2 THR 44 6.789 -2.085 3.654 345 3HG2 THR 44 3HG2 THR 44 5.517 -0.859 3.577 346 H ILE 45 H ILE 45 1.863 -1.798 2.889 347 HA ILE 45 HA ILE 45 2.162 1.204 2.733 348 HB ILE 45 HB ILE 45 -0.332 -0.526 2.649 349 1HG1 ILE 45 2HG1 ILE 45 -0.723 0.806 0.534 350 2HG1 ILE 45 3HG1 ILE 45 0.930 1.425 0.663 351 1HG2 ILE 45 1HG2 ILE 45 -1.522 1.654 2.496 352 2HG2 ILE 45 2HG2 ILE 45 -0.738 1.425 4.059 353 3HG2 ILE 45 3HG2 ILE 45 -0.004 2.500 2.846 354 1HD1 ILE 45 1HD1 ILE 45 0.591 -1.550 0.581 355 2HD1 ILE 45 2HD1 ILE 45 0.244 -0.624 -0.897 356 3HD1 ILE 45 3HD1 ILE 45 1.832 -0.504 -0.155 357 H VAL 46 H VAL 46 2.793 1.953 4.715 358 HA VAL 46 HA VAL 46 2.349 0.136 7.018 359 HB VAL 46 HB VAL 46 4.243 2.465 6.960 360 1HG1 VAL 46 1HG1 VAL 46 3.658 1.386 9.132 361 2HG1 VAL 46 2HG1 VAL 46 4.179 -0.172 8.483 362 3HG1 VAL 46 3HG1 VAL 46 5.358 1.136 8.694 363 1HG2 VAL 46 1HG2 VAL 46 4.596 -0.281 5.765 364 2HG2 VAL 46 2HG2 VAL 46 5.020 1.279 5.071 365 3HG2 VAL 46 3HG2 VAL 46 5.980 0.634 6.410 366 H TYR 47 H TYR 47 0.313 0.615 7.719 367 HA TYR 47 HA TYR 47 -0.387 3.486 8.048 368 1HB TYR 47 2HB TYR 47 -2.404 3.189 7.067 369 2HB TYR 47 3HB TYR 47 -1.516 1.966 6.170 370 HD1 TYR 47 1HD TYR 47 -1.559 -0.288 8.291 371 HD2 TYR 47 2HD TYR 47 -4.614 2.388 6.854 372 HE1 TYR 47 1HE TYR 47 -3.299 -1.764 9.217 373 HE2 TYR 47 2HE TYR 47 -6.339 0.796 7.599 374 HH TYR 47 HH TYR 47 -5.552 -2.288 9.198 375 H GLN 48 H GLN 48 -2.191 3.959 9.465 376 HA GLN 48 HA GLN 48 -1.825 2.422 11.976 377 1HB GLN 48 2HB GLN 48 -1.344 4.921 11.752 378 2HB GLN 48 3HB GLN 48 -3.095 5.134 11.735 379 1HG GLN 48 2HG GLN 48 -3.274 3.793 13.863 380 2HG GLN 48 3HG GLN 48 -1.515 3.629 13.909 381 1HE2 GLN 48 2HE2 GLN 48 -0.189 5.674 14.140 382 2HE2 GLN 48 1HE2 GLN 48 -0.961 7.014 14.983 383 HA PRO 49 HA PRO 49 -6.006 0.925 10.814 384 1HB PRO 49 2HB PRO 49 -6.250 -1.103 12.610 385 2HB PRO 49 3HB PRO 49 -5.150 -1.198 11.218 386 1HG PRO 49 2HG PRO 49 -4.423 -0.388 14.034 387 2HG PRO 49 3HG PRO 49 -3.640 -1.627 13.011 388 1HD PRO 49 2HD PRO 49 -2.671 0.878 13.198 389 2HD PRO 49 3HD PRO 49 -2.652 0.030 11.619 390 H HIS 50 H HIS 50 -6.385 3.208 11.723 391 HA HIS 50 HA HIS 50 -8.368 3.264 13.775 392 1HB HIS 50 2HB HIS 50 -5.792 3.190 14.882 393 2HB HIS 50 3HB HIS 50 -6.077 4.914 14.753 394 HD1 HIS 50 1HD HIS 50 -7.017 5.750 17.020 395 HD2 HIS 50 2HD HIS 50 -8.203 1.841 16.003 396 HE1 HIS 50 1HE HIS 50 -8.441 4.882 18.957 397 H LEU 51 H LEU 51 -5.788 5.084 12.072 398 HA LEU 51 HA LEU 51 -7.374 7.532 11.952 399 1HB LEU 51 2HB LEU 51 -4.858 6.726 10.596 400 2HB LEU 51 3HB LEU 51 -5.549 8.346 10.503 401 HG LEU 51 HG LEU 51 -4.768 7.035 13.140 402 1HD1 LEU 51 1HD1 LEU 51 -2.737 7.394 11.744 403 2HD1 LEU 51 2HD1 LEU 51 -3.188 9.104 11.558 404 3HD1 LEU 51 3HD1 LEU 51 -2.776 8.454 13.154 405 1HD2 LEU 51 1HD2 LEU 51 -5.441 9.920 12.414 406 2HD2 LEU 51 2HD2 LEU 51 -6.414 8.838 13.436 407 3HD2 LEU 51 3HD2 LEU 51 -4.830 9.381 13.989 408 H ILE 52 H ILE 52 -6.553 4.847 9.648 409 HA ILE 52 HA ILE 52 -8.797 5.608 7.989 410 HB ILE 52 HB ILE 52 -6.364 6.755 7.462 411 1HG1 ILE 52 2HG1 ILE 52 -7.085 6.615 4.993 412 2HG1 ILE 52 3HG1 ILE 52 -8.468 5.700 5.663 413 1HG2 ILE 52 1HG2 ILE 52 -5.121 5.587 5.817 414 2HG2 ILE 52 2HG2 ILE 52 -5.225 4.543 7.243 415 3HG2 ILE 52 3HG2 ILE 52 -6.241 4.211 5.797 416 1HD1 ILE 52 1HD1 ILE 52 -7.613 8.533 6.454 417 2HD1 ILE 52 2HD1 ILE 52 -8.959 8.148 5.364 418 3HD1 ILE 52 3HD1 ILE 52 -9.045 7.686 7.073 419 H SER 53 H SER 53 -9.073 3.822 6.241 420 HA SER 53 HA SER 53 -8.654 1.212 7.585 421 1HB SER 53 2HB SER 53 -10.748 0.663 6.299 422 2HB SER 53 3HB SER 53 -10.927 1.961 7.494 423 HG SER 53 HG SER 53 -11.842 2.614 5.523 424 H VAL 54 H VAL 54 -8.373 -0.665 6.277 425 HA VAL 54 HA VAL 54 -6.497 -0.647 4.215 426 HB VAL 54 HB VAL 54 -8.604 -2.621 5.111 427 1HG1 VAL 54 1HG1 VAL 54 -8.502 -3.153 2.755 428 2HG1 VAL 54 2HG1 VAL 54 -6.737 -2.951 2.739 429 3HG1 VAL 54 3HG1 VAL 54 -7.481 -4.318 3.598 430 1HG2 VAL 54 1HG2 VAL 54 -6.550 -3.919 5.711 431 2HG2 VAL 54 2HG2 VAL 54 -5.572 -2.605 5.033 432 3HG2 VAL 54 3HG2 VAL 54 -6.564 -2.314 6.477 433 H GLU 55 H GLU 55 -10.081 -0.650 3.926 434 HA GLU 55 HA GLU 55 -10.067 -0.950 1.115 435 1HB GLU 55 2HB GLU 55 -12.040 -1.342 2.500 436 2HB GLU 55 3HB GLU 55 -12.151 0.410 2.758 437 1HG GLU 55 2HG GLU 55 -13.493 0.401 0.908 438 2HG GLU 55 3HG GLU 55 -12.017 0.076 -0.008 439 H GLU 56 H GLU 56 -9.643 2.050 3.100 440 HA GLU 56 HA GLU 56 -10.059 3.864 0.968 441 1HB GLU 56 2HB GLU 56 -9.491 4.064 3.710 442 2HB GLU 56 3HB GLU 56 -8.009 4.660 2.952 443 1HG GLU 56 2HG GLU 56 -10.849 5.640 2.386 444 2HG GLU 56 3HG GLU 56 -9.637 6.455 3.380 445 H MET 57 H MET 57 -7.041 2.281 2.309 446 HA MET 57 HA MET 57 -5.260 3.148 0.431 447 1HB MET 57 2HB MET 57 -5.341 0.413 1.606 448 2HB MET 57 3HB MET 57 -4.004 1.268 0.853 449 1HG MET 57 2HG MET 57 -5.369 2.145 3.375 450 2HG MET 57 3HG MET 57 -3.799 1.349 3.264 451 1HE MET 57 1HE MET 57 -4.228 3.586 4.904 452 2HE MET 57 2HE MET 57 -2.495 3.347 4.609 453 3HE MET 57 3HE MET 57 -3.220 4.981 4.475 454 H LYS 58 H LYS 58 -7.097 0.022 0.180 455 HA LYS 58 HA LYS 58 -6.166 -0.440 -2.487 456 1HB LYS 58 2HB LYS 58 -6.671 -2.246 -1.766 457 2HB LYS 58 3HB LYS 58 -8.050 -1.792 -0.696 458 1HG LYS 58 2HG LYS 58 -8.346 -1.878 -3.747 459 2HG LYS 58 3HG LYS 58 -8.180 -3.359 -2.849 460 1HD LYS 58 2HD LYS 58 -10.099 -2.730 -1.368 461 2HD LYS 58 3HD LYS 58 -10.311 -1.237 -2.289 462 1HE LYS 58 2HE LYS 58 -10.651 -2.640 -4.361 463 2HE LYS 58 3HE LYS 58 -10.574 -4.089 -3.350 464 1HZ LYS 58 1HZ LYS 58 -12.562 -1.929 -3.324 465 2HZ LYS 58 2HZ LYS 58 -12.825 -3.533 -3.603 466 3HZ LYS 58 3HZ LYS 58 -12.450 -2.959 -2.082 467 H LYS 59 H LYS 59 -9.374 0.828 -1.518 468 HA LYS 59 HA LYS 59 -10.456 1.312 -4.005 469 1HB LYS 59 2HB LYS 59 -11.331 1.732 -1.610 470 2HB LYS 59 3HB LYS 59 -10.686 3.360 -1.789 471 1HG LYS 59 2HG LYS 59 -12.736 1.935 -3.559 472 2HG LYS 59 3HG LYS 59 -13.123 3.020 -2.218 473 1HD LYS 59 2HD LYS 59 -11.985 4.895 -3.364 474 2HD LYS 59 3HD LYS 59 -11.622 3.827 -4.743 475 1HE LYS 59 2HE LYS 59 -14.077 3.380 -5.017 476 2HE LYS 59 3HE LYS 59 -14.417 4.537 -3.719 477 1HZ LYS 59 1HZ LYS 59 -13.072 5.163 -6.266 478 2HZ LYS 59 2HZ LYS 59 -14.637 5.509 -5.896 479 3HZ LYS 59 3HZ LYS 59 -13.418 6.246 -5.072 480 H GLN 60 H GLN 60 -8.219 3.519 -2.156 481 HA GLN 60 HA GLN 60 -8.063 5.419 -4.328 482 1HB GLN 60 2HB GLN 60 -6.149 4.788 -2.094 483 2HB GLN 60 3HB GLN 60 -5.949 6.152 -3.192 484 1HG GLN 60 2HG GLN 60 -8.344 5.758 -1.354 485 2HG GLN 60 3HG GLN 60 -6.985 6.850 -1.068 486 1HE2 GLN 60 2HE2 GLN 60 -9.737 7.523 -1.118 487 2HE2 GLN 60 1HE2 GLN 60 -9.992 8.660 -2.458 488 H ILE 61 H ILE 61 -6.049 2.541 -3.567 489 HA ILE 61 HA ILE 61 -4.100 3.126 -5.623 490 HB ILE 61 HB ILE 61 -4.606 0.644 -3.984 491 1HG1 ILE 61 2HG1 ILE 61 -2.510 2.865 -4.026 492 2HG1 ILE 61 3HG1 ILE 61 -3.795 2.763 -2.853 493 1HG2 ILE 61 1HG2 ILE 61 -3.603 -0.009 -6.161 494 2HG2 ILE 61 2HG2 ILE 61 -2.410 1.297 -6.014 495 3HG2 ILE 61 3HG2 ILE 61 -2.385 -0.096 -4.903 496 1HD1 ILE 61 1HD1 ILE 61 -1.467 0.860 -3.135 497 2HD1 ILE 61 2HD1 ILE 61 -1.865 1.935 -1.785 498 3HD1 ILE 61 3HD1 ILE 61 -2.901 0.530 -2.122 499 H GLU 62 H GLU 62 -6.569 0.418 -5.451 500 HA GLU 62 HA GLU 62 -6.549 -0.331 -8.093 501 1HB GLU 62 2HB GLU 62 -8.225 -0.645 -5.749 502 2HB GLU 62 3HB GLU 62 -9.265 -0.086 -7.021 503 1HG GLU 62 2HG GLU 62 -8.403 -2.008 -8.409 504 2HG GLU 62 3HG GLU 62 -7.381 -2.489 -7.047 505 H ALA 63 H ALA 63 -8.226 2.604 -6.749 506 HA ALA 63 HA ALA 63 -9.638 3.269 -9.076 507 1HB ALA 63 1HB ALA 63 -9.454 5.630 -8.291 508 2HB ALA 63 2HB ALA 63 -9.960 4.504 -7.023 509 3HB ALA 63 3HB ALA 63 -8.275 5.092 -7.079 510 H MET 64 H MET 64 -6.122 3.609 -8.523 511 HA MET 64 HA MET 64 -5.542 5.365 -10.704 512 1HB MET 64 2HB MET 64 -3.912 3.107 -9.521 513 2HB MET 64 3HB MET 64 -3.340 4.389 -10.580 514 1HG MET 64 2HG MET 64 -4.418 4.807 -7.764 515 2HG MET 64 3HG MET 64 -2.747 4.792 -8.289 516 1HE MET 64 1HE MET 64 -2.056 7.079 -7.284 517 2HE MET 64 2HE MET 64 -1.397 6.689 -8.891 518 3HE MET 64 3HE MET 64 -1.972 8.330 -8.559 519 H GLY 65 H GLY 65 -6.031 1.833 -10.406 520 1HA GLY 65 1HA GLY 65 -7.073 0.893 -12.522 521 2HA GLY 65 2HA GLY 65 -5.589 1.419 -13.338 522 H PHE 66 H PHE 66 -4.233 0.761 -10.556 523 HA PHE 66 HA PHE 66 -3.199 -1.758 -11.496 524 1HB PHE 66 2HB PHE 66 -2.705 -0.179 -8.970 525 2HB PHE 66 3HB PHE 66 -1.662 -1.475 -9.583 526 HD1 PHE 66 1HD PHE 66 -1.966 1.994 -9.317 527 HD2 PHE 66 2HD PHE 66 -0.922 -1.035 -12.204 528 HE1 PHE 66 1HE PHE 66 -1.059 3.741 -10.828 529 HE2 PHE 66 2HE PHE 66 0.045 0.717 -13.676 530 HZ PHE 66 HZ PHE 66 -0.133 3.108 -13.033 531 HA PRO 67 HA PRO 67 -6.164 -3.914 -8.693 532 1HB PRO 67 2HB PRO 67 -5.503 -6.504 -9.315 533 2HB PRO 67 3HB PRO 67 -6.566 -5.494 -10.341 534 1HG PRO 67 2HG PRO 67 -3.610 -6.017 -10.665 535 2HG PRO 67 3HG PRO 67 -4.875 -6.096 -11.925 536 1HD PRO 67 2HD PRO 67 -3.252 -3.936 -11.567 537 2HD PRO 67 3HD PRO 67 -4.954 -3.731 -12.087 538 H ALA 68 H ALA 68 -5.755 -4.909 -6.630 539 HA ALA 68 HA ALA 68 -2.963 -5.561 -5.984 540 1HB ALA 68 1HB ALA 68 -2.904 -4.186 -4.047 541 2HB ALA 68 2HB ALA 68 -3.193 -3.137 -5.461 542 3HB ALA 68 3HB ALA 68 -4.534 -3.533 -4.358 543 H PHE 69 H PHE 69 -2.783 -7.168 -4.478 544 HA PHE 69 HA PHE 69 -5.324 -8.262 -3.311 545 1HB PHE 69 2HB PHE 69 -2.799 -9.470 -4.268 546 2HB PHE 69 3HB PHE 69 -3.790 -10.317 -3.092 547 HD1 PHE 69 1HD PHE 69 -6.259 -10.743 -3.636 548 HD2 PHE 69 2HD PHE 69 -3.392 -9.533 -6.639 549 HE1 PHE 69 1HE PHE 69 -7.676 -11.743 -5.405 550 HE2 PHE 69 2HE PHE 69 -4.788 -10.569 -8.381 551 HZ PHE 69 HZ PHE 69 -6.925 -11.693 -7.778 552 H VAL 70 H VAL 70 -5.052 -6.488 -1.782 553 HA VAL 70 HA VAL 70 -3.062 -6.456 0.296 554 HB VAL 70 HB VAL 70 -4.173 -4.532 -0.049 555 1HG1 VAL 70 1HG1 VAL 70 -6.579 -4.227 0.412 556 2HG1 VAL 70 2HG1 VAL 70 -6.204 -5.141 -1.057 557 3HG1 VAL 70 3HG1 VAL 70 -6.762 -5.998 0.398 558 1HG2 VAL 70 1HG2 VAL 70 -3.563 -5.235 2.289 559 2HG2 VAL 70 2HG2 VAL 70 -4.818 -3.993 2.169 560 3HG2 VAL 70 3HG2 VAL 70 -5.271 -5.670 2.543 561 H LYS 71 H LYS 71 -2.588 -8.436 1.294 562 HA LYS 71 HA LYS 71 -4.711 -9.553 2.962 563 1HB LYS 71 2HB LYS 71 -4.579 -11.758 2.141 564 2HB LYS 71 3HB LYS 71 -5.220 -10.647 0.920 565 1HG LYS 71 2HG LYS 71 -2.871 -10.487 0.026 566 2HG LYS 71 3HG LYS 71 -2.436 -11.795 1.099 567 1HD LYS 71 2HD LYS 71 -4.660 -12.913 -0.081 568 2HD LYS 71 3HD LYS 71 -4.153 -11.834 -1.372 569 1HE LYS 71 2HE LYS 71 -3.094 -13.922 -1.836 570 2HE LYS 71 3HE LYS 71 -1.815 -12.884 -1.189 571 1HZ LYS 71 1HZ LYS 71 -3.332 -14.936 0.303 572 2HZ LYS 71 2HZ LYS 71 -1.773 -15.068 -0.188 573 3HZ LYS 71 3HZ LYS 71 -2.184 -13.969 0.969 574 H LYS 72 H LYS 72 -2.713 -8.227 4.073 575 HA LYS 72 HA LYS 72 -1.376 -10.316 5.554 576 1HB LYS 72 2HB LYS 72 -0.015 -8.933 3.381 577 2HB LYS 72 3HB LYS 72 0.726 -8.475 4.920 578 1HG LYS 72 2HG LYS 72 0.303 -11.353 4.032 579 2HG LYS 72 3HG LYS 72 1.783 -10.412 3.749 580 1HD LYS 72 2HD LYS 72 2.031 -10.045 6.216 581 2HD LYS 72 3HD LYS 72 0.577 -10.999 6.498 582 1HE LYS 72 2HE LYS 72 2.377 -12.444 6.934 583 2HE LYS 72 3HE LYS 72 1.688 -12.979 5.390 584 1HZ LYS 72 1HZ LYS 72 4.078 -11.324 5.832 585 2HZ LYS 72 2HZ LYS 72 4.103 -12.888 5.363 586 3HZ LYS 72 3HZ LYS 72 3.541 -11.722 4.329 587 H ILE 73 H ILE 73 -0.648 -9.522 7.554 588 HA ILE 73 HA ILE 73 -0.961 -6.639 8.155 589 HB ILE 73 HB ILE 73 -2.256 -9.016 9.596 590 1HG1 ILE 73 2HG1 ILE 73 -4.177 -7.063 9.434 591 2HG1 ILE 73 3HG1 ILE 73 -3.269 -6.690 7.980 592 1HG2 ILE 73 1HG2 ILE 73 -2.140 -6.175 10.631 593 2HG2 ILE 73 2HG2 ILE 73 -3.021 -7.527 11.347 594 3HG2 ILE 73 3HG2 ILE 73 -1.265 -7.539 11.348 595 1HD1 ILE 73 1HD1 ILE 73 -4.569 -9.349 8.739 596 2HD1 ILE 73 2HD1 ILE 73 -5.129 -8.200 7.509 597 3HD1 ILE 73 3HD1 ILE 73 -3.634 -9.108 7.253 598 H GLU 74 H GLU 74 1.360 -6.707 7.881 599 HA GLU 74 HA GLU 74 2.915 -8.329 9.840 600 1HB GLU 74 2HB GLU 74 3.585 -6.831 7.391 601 2HB GLU 74 3HB GLU 74 4.572 -6.338 8.773 602 1HG GLU 74 2HG GLU 74 5.938 -7.914 8.137 603 2HG GLU 74 3HG GLU 74 4.896 -8.976 9.071 604 H GLY 75 H GLY 75 1.884 -7.574 11.790 605 1HA GLY 75 1HA GLY 75 3.152 -5.600 13.205 606 2HA GLY 75 2HA GLY 75 1.805 -4.746 12.418 607 H ARG 76 H ARG 76 1.246 -4.509 14.756 608 HA ARG 76 HA ARG 76 -0.393 -4.783 16.278 609 1HB ARG 76 2HB ARG 76 -1.592 -6.249 14.511 610 2HB ARG 76 3HB ARG 76 -0.952 -7.639 15.414 611 1HG ARG 76 2HG ARG 76 -2.153 -6.994 17.403 612 2HG ARG 76 3HG ARG 76 -2.586 -5.418 16.702 613 1HD ARG 76 2HD ARG 76 -3.854 -6.555 14.921 614 2HD ARG 76 3HD ARG 76 -3.486 -8.137 15.657 615 HE ARG 76 HE ARG 76 -4.588 -6.770 17.737 616 1HH1 ARG 76 1HH2 ARG 76 -5.684 -7.475 14.468 617 2HH1 ARG 76 2HH2 ARG 76 -7.376 -7.261 14.793 618 1HH2 ARG 76 1HH1 ARG 76 -6.835 -6.506 18.240 619 2HH2 ARG 76 2HH1 ARG 76 -8.044 -6.735 17.019 Start of MODEL 6 1 1H GLY 1 1H GLY 1 1.431 2.849 16.740 2 2H GLY 1 2H GLY 1 2.815 2.507 17.625 3 3H GLY 1 3H GLY 1 2.718 2.627 15.949 4 1HA GLY 1 1HA GLY 1 2.819 0.254 16.694 5 2HA GLY 1 2HA GLY 1 1.259 0.580 17.480 6 H GLU 2 H GLU 2 2.980 0.346 14.398 7 HA GLU 2 HA GLU 2 0.568 1.132 12.859 8 1HB GLU 2 2HB GLU 2 3.450 1.108 11.926 9 2HB GLU 2 3HB GLU 2 2.066 2.027 11.306 10 1HG GLU 2 2HG GLU 2 3.582 2.500 13.939 11 2HG GLU 2 3HG GLU 2 3.556 3.531 12.533 12 H VAL 3 H VAL 3 0.005 -0.195 10.966 13 HA VAL 3 HA VAL 3 0.883 -3.001 11.340 14 HB VAL 3 HB VAL 3 -1.212 -3.650 10.628 15 1HG1 VAL 3 1HG1 VAL 3 -1.447 -1.588 12.851 16 2HG1 VAL 3 2HG1 VAL 3 -2.517 -2.975 12.578 17 3HG1 VAL 3 3HG1 VAL 3 -0.826 -3.240 13.034 18 1HG2 VAL 3 1HG2 VAL 3 -3.089 -2.098 10.340 19 2HG2 VAL 3 2HG2 VAL 3 -1.937 -0.747 10.427 20 3HG2 VAL 3 3HG2 VAL 3 -1.823 -1.921 9.109 21 H VAL 4 H VAL 4 1.819 -4.089 9.666 22 HA VAL 4 HA VAL 4 2.283 -2.566 7.168 23 HB VAL 4 HB VAL 4 3.853 -4.396 8.752 24 1HG1 VAL 4 1HG1 VAL 4 3.523 -5.311 5.859 25 2HG1 VAL 4 2HG1 VAL 4 4.741 -5.877 7.025 26 3HG1 VAL 4 3HG1 VAL 4 3.039 -6.220 7.302 27 1HG2 VAL 4 1HG2 VAL 4 4.445 -3.019 6.112 28 2HG2 VAL 4 2HG2 VAL 4 4.689 -2.316 7.733 29 3HG2 VAL 4 3HG2 VAL 4 5.645 -3.704 7.219 30 H LEU 5 H LEU 5 0.986 -2.893 5.474 31 HA LEU 5 HA LEU 5 -0.540 -5.463 5.266 32 1HB LEU 5 2HB LEU 5 -1.110 -2.620 4.523 33 2HB LEU 5 3HB LEU 5 -1.698 -3.873 3.430 34 HG LEU 5 HG LEU 5 -3.324 -3.124 5.148 35 1HD1 LEU 5 1HD1 LEU 5 -3.382 -5.863 5.959 36 2HD1 LEU 5 2HD1 LEU 5 -4.331 -5.053 4.714 37 3HD1 LEU 5 3HD1 LEU 5 -2.784 -5.798 4.288 38 1HD2 LEU 5 1HD2 LEU 5 -1.701 -2.905 7.020 39 2HD2 LEU 5 2HD2 LEU 5 -3.170 -3.821 7.444 40 3HD2 LEU 5 3HD2 LEU 5 -1.659 -4.678 7.151 41 H LYS 6 H LYS 6 -0.023 -6.781 3.565 42 HA LYS 6 HA LYS 6 2.025 -5.766 1.658 43 1HB LYS 6 2HB LYS 6 2.461 -7.703 3.562 44 2HB LYS 6 3HB LYS 6 1.832 -8.669 2.227 45 1HG LYS 6 2HG LYS 6 4.010 -8.747 1.705 46 2HG LYS 6 3HG LYS 6 3.579 -7.278 0.805 47 1HD LYS 6 2HD LYS 6 4.299 -5.892 2.754 48 2HD LYS 6 3HD LYS 6 4.749 -7.353 3.642 49 1HE LYS 6 2HE LYS 6 5.969 -6.357 1.024 50 2HE LYS 6 3HE LYS 6 6.717 -6.261 2.630 51 1HZ LYS 6 1HZ LYS 6 6.164 -8.644 1.004 52 2HZ LYS 6 2HZ LYS 6 7.613 -8.094 1.464 53 3HZ LYS 6 3HZ LYS 6 6.613 -8.762 2.597 54 H MET 7 H MET 7 1.160 -5.641 -0.323 55 HA MET 7 HA MET 7 -1.154 -7.331 -1.054 56 1HB MET 7 2HB MET 7 -1.686 -5.180 -2.457 57 2HB MET 7 3HB MET 7 -2.153 -5.289 -0.761 58 1HG MET 7 2HG MET 7 -0.355 -3.982 -0.010 59 2HG MET 7 3HG MET 7 0.341 -3.937 -1.645 60 1HE MET 7 1HE MET 7 -3.231 -3.225 -0.016 61 2HE MET 7 2HE MET 7 -1.986 -2.404 0.944 62 3HE MET 7 3HE MET 7 -3.156 -1.457 -0.015 63 H LYS 8 H LYS 8 -0.830 -8.488 -2.819 64 HA LYS 8 HA LYS 8 1.635 -8.156 -4.412 65 1HB LYS 8 2HB LYS 8 -0.794 -9.940 -4.843 66 2HB LYS 8 3HB LYS 8 0.609 -9.836 -5.900 67 1HG LYS 8 2HG LYS 8 1.001 -11.669 -4.609 68 2HG LYS 8 3HG LYS 8 2.079 -10.418 -3.950 69 1HD LYS 8 2HD LYS 8 0.520 -10.116 -2.015 70 2HD LYS 8 3HD LYS 8 -0.623 -11.209 -2.795 71 1HE LYS 8 2HE LYS 8 0.371 -12.746 -1.381 72 2HE LYS 8 3HE LYS 8 1.539 -12.870 -2.702 73 1HZ LYS 8 1HZ LYS 8 1.799 -11.236 -0.256 74 2HZ LYS 8 2HZ LYS 8 2.704 -12.547 -0.668 75 3HZ LYS 8 3HZ LYS 8 2.842 -11.117 -1.454 76 H VAL 9 H VAL 9 1.693 -7.040 -6.474 77 HA VAL 9 HA VAL 9 -0.879 -5.918 -7.451 78 HB VAL 9 HB VAL 9 0.407 -3.926 -8.122 79 1HG1 VAL 9 1HG1 VAL 9 -1.079 -3.855 -6.178 80 2HG1 VAL 9 2HG1 VAL 9 0.250 -4.353 -5.109 81 3HG1 VAL 9 3HG1 VAL 9 0.312 -2.783 -5.941 82 1HG2 VAL 9 1HG2 VAL 9 2.491 -3.312 -7.003 83 2HG2 VAL 9 2HG2 VAL 9 2.560 -4.896 -6.208 84 3HG2 VAL 9 3HG2 VAL 9 2.687 -4.771 -7.981 85 H GLU 10 H GLU 10 -1.009 -5.880 -9.652 86 HA GLU 10 HA GLU 10 0.940 -7.640 -11.067 87 1HB GLU 10 2HB GLU 10 -1.809 -6.655 -11.893 88 2HB GLU 10 3HB GLU 10 -0.794 -7.782 -12.797 89 1HG GLU 10 2HG GLU 10 -1.865 -8.334 -9.983 90 2HG GLU 10 3HG GLU 10 -2.581 -8.928 -11.485 91 H GLY 11 H GLY 11 1.936 -6.946 -12.968 92 1HA GLY 11 1HA GLY 11 2.407 -5.609 -14.796 93 2HA GLY 11 2HA GLY 11 1.141 -4.489 -14.293 94 H MET 12 H MET 12 2.239 -3.855 -11.679 95 HA MET 12 HA MET 12 4.004 -1.730 -12.441 96 1HB MET 12 2HB MET 12 3.286 -2.831 -9.709 97 2HB MET 12 3HB MET 12 4.208 -1.346 -10.057 98 1HG MET 12 2HG MET 12 2.302 -0.232 -10.908 99 2HG MET 12 3HG MET 12 1.450 -1.732 -11.268 100 1HE MET 12 1HE MET 12 2.592 0.653 -8.325 101 2HE MET 12 2HE MET 12 1.859 -0.192 -6.939 102 3HE MET 12 3HE MET 12 3.204 -0.945 -7.821 103 H THR 13 H THR 13 5.612 -3.015 -13.498 104 HA THR 13 HA THR 13 7.617 -4.359 -11.750 105 HB THR 13 HB THR 13 7.656 -4.490 -14.750 106 HG1 THR 13 1HG THR 13 6.065 -5.958 -14.753 107 1HG2 THR 13 1HG2 THR 13 8.147 -6.541 -12.527 108 2HG2 THR 13 2HG2 THR 13 8.370 -6.822 -14.265 109 3HG2 THR 13 3HG2 THR 13 9.423 -5.683 -13.413 110 H CYS 14 HN CYS 14 7.468 -1.262 -12.184 111 HA CYS 14 HA CYS 14 10.304 -0.901 -12.742 112 1HB CYS 14 2HB CYS 14 9.772 0.689 -14.677 113 2HB CYS 14 3HB CYS 14 9.642 -1.036 -14.994 114 H HIS 15 H HIS 15 10.897 1.379 -12.731 115 HA HIS 15 HA HIS 15 9.726 2.859 -10.533 116 1HB HIS 15 2HB HIS 15 11.787 3.575 -12.647 117 2HB HIS 15 3HB HIS 15 11.291 4.656 -11.343 118 HD1 HIS 15 1HD HIS 15 11.939 3.884 -8.798 119 HD2 HIS 15 2HD HIS 15 13.455 1.557 -11.964 120 HE1 HIS 15 1HE HIS 15 13.756 2.395 -7.808 121 H SER 16 H SER 16 9.058 5.173 -10.964 122 HA SER 16 HA SER 16 7.626 6.671 -11.827 123 1HB SER 16 2HB SER 16 6.948 5.044 -14.297 124 2HB SER 16 3HB SER 16 6.874 6.784 -14.028 125 HG SER 16 HG SER 16 9.129 5.121 -14.353 126 H CYS 17 HN CYS 17 6.344 3.377 -12.752 127 HA CYS 17 HA CYS 17 3.688 4.037 -12.016 128 1HB CYS 17 2HB CYS 17 4.909 1.243 -11.934 129 2HB CYS 17 3HB CYS 17 3.218 1.702 -12.166 130 H THR 18 H THR 18 6.077 2.079 -10.247 131 HA THR 18 HA THR 18 4.837 1.820 -7.732 132 HB THR 18 HB THR 18 7.300 1.723 -6.996 133 HG1 THR 18 1HG THR 18 8.024 1.628 -9.699 134 1HG2 THR 18 1HG2 THR 18 6.843 -0.044 -9.438 135 2HG2 THR 18 2HG2 THR 18 7.633 -0.383 -7.876 136 3HG2 THR 18 3HG2 THR 18 5.872 -0.249 -7.995 137 H SER 19 H SER 19 7.366 4.079 -8.639 138 HA SER 19 HA SER 19 7.416 5.637 -6.389 139 1HB SER 19 2HB SER 19 9.054 5.705 -8.256 140 2HB SER 19 3HB SER 19 7.901 6.664 -9.221 141 HG SER 19 HG SER 19 9.473 7.939 -8.072 142 H THR 20 H THR 20 5.215 6.140 -9.196 143 HA THR 20 HA THR 20 4.096 8.612 -8.301 144 HB THR 20 HB THR 20 2.922 6.403 -10.047 145 HG1 THR 20 1HG THR 20 4.697 7.399 -10.929 146 1HG2 THR 20 1HG2 THR 20 1.964 9.262 -9.578 147 2HG2 THR 20 2HG2 THR 20 1.395 8.186 -10.871 148 3HG2 THR 20 3HG2 THR 20 1.067 7.774 -9.182 149 H ILE 21 H ILE 21 3.121 5.174 -7.736 150 HA ILE 21 HA ILE 21 0.874 5.915 -6.101 151 HB ILE 21 HB ILE 21 2.090 3.465 -7.050 152 1HG1 ILE 21 2HG1 ILE 21 -0.514 3.840 -5.554 153 2HG1 ILE 21 3HG1 ILE 21 -0.238 4.378 -7.208 154 1HG2 ILE 21 1HG2 ILE 21 1.322 3.355 -4.120 155 2HG2 ILE 21 2HG2 ILE 21 1.686 1.975 -5.170 156 3HG2 ILE 21 3HG2 ILE 21 2.976 3.097 -4.758 157 1HD1 ILE 21 1HD1 ILE 21 -0.121 1.489 -6.296 158 2HD1 ILE 21 2HD1 ILE 21 -1.362 2.284 -7.273 159 3HD1 ILE 21 3HD1 ILE 21 0.278 2.082 -7.927 160 H GLU 22 H GLU 22 4.244 5.097 -5.310 161 HA GLU 22 HA GLU 22 4.090 5.370 -2.541 162 1HB GLU 22 2HB GLU 22 6.168 5.226 -4.554 163 2HB GLU 22 3HB GLU 22 6.634 6.437 -3.367 164 1HG GLU 22 2HG GLU 22 6.305 4.804 -1.555 165 2HG GLU 22 3HG GLU 22 5.641 3.633 -2.709 166 H GLY 23 H GLY 23 4.837 7.952 -4.893 167 1HA GLY 23 1HA GLY 23 4.955 10.131 -3.129 168 2HA GLY 23 2HA GLY 23 4.501 10.206 -4.841 169 H LYS 24 H LYS 24 2.108 8.891 -5.008 170 HA LYS 24 HA LYS 24 0.352 10.907 -4.120 171 1HB LYS 24 2HB LYS 24 0.134 9.036 -6.034 172 2HB LYS 24 3HB LYS 24 -0.693 8.146 -4.768 173 1HG LYS 24 2HG LYS 24 -2.495 9.253 -5.649 174 2HG LYS 24 3HG LYS 24 -2.016 10.477 -4.476 175 1HD LYS 24 2HD LYS 24 -0.646 11.602 -6.276 176 2HD LYS 24 3HD LYS 24 -1.182 10.357 -7.419 177 1HE LYS 24 2HE LYS 24 -3.579 11.062 -6.974 178 2HE LYS 24 3HE LYS 24 -2.954 12.395 -5.988 179 1HZ LYS 24 1HZ LYS 24 -2.441 11.971 -8.863 180 2HZ LYS 24 2HZ LYS 24 -3.435 13.104 -8.211 181 3HZ LYS 24 3HZ LYS 24 -1.811 13.201 -7.968 182 H ILE 25 H ILE 25 0.687 7.559 -3.008 183 HA ILE 25 HA ILE 25 -1.244 7.852 -0.923 184 HB ILE 25 HB ILE 25 0.836 5.723 -1.347 185 1HG1 ILE 25 2HG1 ILE 25 -0.686 5.903 -3.226 186 2HG1 ILE 25 3HG1 ILE 25 -0.776 4.366 -2.359 187 1HG2 ILE 25 1HG2 ILE 25 -1.527 5.761 0.558 188 2HG2 ILE 25 2HG2 ILE 25 -0.632 4.307 0.098 189 3HG2 ILE 25 3HG2 ILE 25 0.184 5.606 0.974 190 1HD1 ILE 25 1HD1 ILE 25 -2.692 6.695 -2.095 191 2HD1 ILE 25 2HD1 ILE 25 -2.984 5.170 -2.962 192 3HD1 ILE 25 3HD1 ILE 25 -2.789 5.160 -1.195 193 H GLY 26 H GLY 26 2.271 8.332 -1.082 194 1HA GLY 26 1HA GLY 26 3.014 8.646 1.545 195 2HA GLY 26 2HA GLY 26 3.556 9.673 0.208 196 H LYS 27 H LYS 27 0.758 10.788 -0.289 197 HA LYS 27 HA LYS 27 0.897 12.838 1.800 198 1HB LYS 27 2HB LYS 27 1.047 13.443 -0.515 199 2HB LYS 27 3HB LYS 27 -0.474 12.640 -0.905 200 1HG LYS 27 2HG LYS 27 -1.771 14.191 0.092 201 2HG LYS 27 3HG LYS 27 -0.537 14.728 1.237 202 1HD LYS 27 2HD LYS 27 -0.338 15.295 -1.753 203 2HD LYS 27 3HD LYS 27 -1.196 16.364 -0.624 204 1HE LYS 27 2HE LYS 27 0.896 16.540 0.772 205 2HE LYS 27 3HE LYS 27 1.769 15.609 -0.453 206 1HZ LYS 27 1HZ LYS 27 0.468 18.218 -0.878 207 2HZ LYS 27 2HZ LYS 27 2.080 17.955 -0.709 208 3HZ LYS 27 3HZ LYS 27 1.289 17.364 -2.024 209 H LEU 28 H LEU 28 -0.639 9.868 1.880 210 HA LEU 28 HA LEU 28 -3.316 10.709 2.582 211 1HB LEU 28 2HB LEU 28 -1.740 8.213 3.224 212 2HB LEU 28 3HB LEU 28 -3.408 8.521 3.648 213 HG LEU 28 HG LEU 28 -2.276 7.865 0.980 214 1HD1 LEU 28 1HD1 LEU 28 -4.320 6.501 0.910 215 2HD1 LEU 28 2HD1 LEU 28 -3.451 6.250 2.443 216 3HD1 LEU 28 3HD1 LEU 28 -4.882 7.307 2.395 217 1HD2 LEU 28 1HD2 LEU 28 -4.278 8.655 -0.215 218 2HD2 LEU 28 2HD2 LEU 28 -4.808 9.535 1.229 219 3HD2 LEU 28 3HD2 LEU 28 -3.310 10.005 0.377 220 H GLN 29 H GLN 29 -4.242 10.759 4.575 221 HA GLN 29 HA GLN 29 -2.530 11.618 6.829 222 1HB GLN 29 2HB GLN 29 -4.509 12.666 7.715 223 2HB GLN 29 3HB GLN 29 -4.205 13.161 6.048 224 1HG GLN 29 2HG GLN 29 -5.902 11.030 5.649 225 2HG GLN 29 3HG GLN 29 -6.474 11.618 7.205 226 1HE2 GLN 29 2HE2 GLN 29 -7.393 11.740 4.147 227 2HE2 GLN 29 1HE2 GLN 29 -7.892 13.416 4.010 228 H GLY 30 H GLY 30 -1.790 9.576 7.503 229 1HA GLY 30 1HA GLY 30 -2.863 8.102 9.426 230 2HA GLY 30 2HA GLY 30 -3.826 7.465 8.106 231 H VAL 31 H VAL 31 -0.906 8.040 6.651 232 HA VAL 31 HA VAL 31 0.022 5.304 7.219 233 HB VAL 31 HB VAL 31 0.274 7.186 4.812 234 1HG1 VAL 31 1HG1 VAL 31 1.426 5.364 3.617 235 2HG1 VAL 31 2HG1 VAL 31 2.384 5.937 4.984 236 3HG1 VAL 31 3HG1 VAL 31 1.472 4.411 5.112 237 1HG2 VAL 31 1HG2 VAL 31 -1.919 6.019 5.006 238 2HG2 VAL 31 2HG2 VAL 31 -0.997 5.449 3.608 239 3HG2 VAL 31 3HG2 VAL 31 -1.069 4.460 5.079 240 H GLN 32 H GLN 32 2.066 4.961 7.980 241 HA GLN 32 HA GLN 32 3.642 7.402 8.663 242 1HB GLN 32 2HB GLN 32 4.881 6.079 10.132 243 2HB GLN 32 3HB GLN 32 3.161 5.925 10.500 244 1HG GLN 32 2HG GLN 32 3.149 3.722 10.203 245 2HG GLN 32 3HG GLN 32 4.078 3.771 8.728 246 1HE2 GLN 32 2HE2 GLN 32 5.278 1.912 9.326 247 2HE2 GLN 32 1HE2 GLN 32 6.484 1.985 10.607 248 H ARG 33 H ARG 33 3.717 4.429 6.685 249 HA ARG 33 HA ARG 33 5.939 5.416 5.147 250 1HB ARG 33 2HB ARG 33 6.782 4.084 7.444 251 2HB ARG 33 3HB ARG 33 6.578 2.749 6.296 252 1HG ARG 33 2HG ARG 33 7.923 4.371 4.668 253 2HG ARG 33 3HG ARG 33 8.401 5.186 6.147 254 1HD ARG 33 2HD ARG 33 8.783 2.162 5.794 255 2HD ARG 33 3HD ARG 33 9.849 3.313 5.018 256 HE ARG 33 HE ARG 33 10.844 3.927 6.941 257 1HH1 ARG 33 1HH2 ARG 33 7.961 2.157 7.854 258 2HH1 ARG 33 2HH2 ARG 33 8.578 1.588 9.376 259 1HH2 ARG 33 1HH1 ARG 33 11.716 3.225 8.960 260 2HH2 ARG 33 2HH1 ARG 33 10.748 2.293 10.050 261 H ILE 34 H ILE 34 6.503 3.737 3.460 262 HA ILE 34 HA ILE 34 4.421 1.932 2.707 263 HB ILE 34 HB ILE 34 3.371 4.055 2.164 264 1HG1 ILE 34 2HG1 ILE 34 4.646 2.965 -0.344 265 2HG1 ILE 34 3HG1 ILE 34 3.396 2.131 0.532 266 1HG2 ILE 34 1HG2 ILE 34 5.952 4.857 0.742 267 2HG2 ILE 34 2HG2 ILE 34 4.441 5.780 0.730 268 3HG2 ILE 34 3HG2 ILE 34 5.317 5.575 2.232 269 1HD1 ILE 34 1HD1 ILE 34 3.034 4.903 -0.680 270 2HD1 ILE 34 2HD1 ILE 34 2.395 3.383 -1.329 271 3HD1 ILE 34 3HD1 ILE 34 1.831 3.996 0.240 272 H LYS 35 H LYS 35 5.324 0.643 1.065 273 HA LYS 35 HA LYS 35 7.899 1.263 -0.048 274 1HB LYS 35 2HB LYS 35 7.560 -0.880 2.017 275 2HB LYS 35 3HB LYS 35 8.511 -1.264 0.578 276 1HG LYS 35 2HG LYS 35 9.040 1.058 2.468 277 2HG LYS 35 3HG LYS 35 9.787 -0.544 2.561 278 1HD LYS 35 2HD LYS 35 10.570 -0.169 0.112 279 2HD LYS 35 3HD LYS 35 9.996 1.486 0.306 280 1HE LYS 35 2HE LYS 35 12.346 1.528 0.699 281 2HE LYS 35 3HE LYS 35 11.552 1.784 2.258 282 1HZ LYS 35 1HZ LYS 35 12.674 -0.772 1.283 283 2HZ LYS 35 2HZ LYS 35 13.379 0.218 2.388 284 3HZ LYS 35 3HZ LYS 35 11.971 -0.547 2.753 285 H VAL 36 H VAL 36 8.367 0.119 -2.045 286 HA VAL 36 HA VAL 36 6.197 -1.678 -2.933 287 HB VAL 36 HB VAL 36 7.045 0.748 -4.571 288 1HG1 VAL 36 1HG1 VAL 36 4.963 -1.480 -4.936 289 2HG1 VAL 36 2HG1 VAL 36 5.093 -0.042 -5.954 290 3HG1 VAL 36 3HG1 VAL 36 6.413 -1.239 -5.924 291 1HG2 VAL 36 1HG2 VAL 36 4.767 1.553 -4.231 292 2HG2 VAL 36 2HG2 VAL 36 4.407 0.198 -3.141 293 3HG2 VAL 36 3HG2 VAL 36 5.593 1.436 -2.679 294 H SER 37 H SER 37 7.181 -3.510 -3.313 295 HA SER 37 HA SER 37 9.933 -3.614 -4.404 296 1HB SER 37 2HB SER 37 8.200 -5.752 -3.275 297 2HB SER 37 3HB SER 37 9.915 -5.882 -3.705 298 HG SER 37 HG SER 37 9.649 -5.491 -1.460 299 H LEU 38 H LEU 38 9.149 -2.847 -6.508 300 HA LEU 38 HA LEU 38 7.316 -4.072 -8.232 301 1HB LEU 38 2HB LEU 38 8.684 -3.352 -10.050 302 2HB LEU 38 3HB LEU 38 8.302 -2.125 -8.872 303 HG LEU 38 HG LEU 38 10.812 -3.059 -7.992 304 1HD1 LEU 38 1HD1 LEU 38 10.874 -4.382 -10.133 305 2HD1 LEU 38 2HD1 LEU 38 10.800 -2.856 -11.028 306 3HD1 LEU 38 3HD1 LEU 38 12.197 -3.199 -9.979 307 1HD2 LEU 38 1HD2 LEU 38 10.060 -0.761 -9.832 308 2HD2 LEU 38 2HD2 LEU 38 10.040 -0.758 -8.058 309 3HD2 LEU 38 3HD2 LEU 38 11.592 -0.888 -8.924 310 H ASP 39 H ASP 39 10.623 -5.058 -7.442 311 HA ASP 39 HA ASP 39 11.229 -6.947 -9.247 312 1HB ASP 39 2HB ASP 39 11.594 -7.497 -6.260 313 2HB ASP 39 3HB ASP 39 12.645 -7.960 -7.581 314 H ASN 40 H ASN 40 9.442 -7.524 -6.251 315 HA ASN 40 HA ASN 40 8.775 -10.224 -7.172 316 1HB ASN 40 2HB ASN 40 9.916 -9.925 -4.988 317 2HB ASN 40 3HB ASN 40 8.421 -9.162 -4.423 318 1HD2 ASN 40 2HD2 ASN 40 7.483 -10.721 -3.035 319 2HD2 ASN 40 1HD2 ASN 40 7.299 -12.411 -3.488 320 H GLN 41 H GLN 41 7.526 -7.628 -8.053 321 HA GLN 41 HA GLN 41 5.770 -6.333 -7.990 322 1HB GLN 41 2HB GLN 41 5.418 -8.801 -9.392 323 2HB GLN 41 3HB GLN 41 3.838 -8.406 -8.757 324 1HG GLN 41 2HG GLN 41 4.041 -6.154 -9.838 325 2HG GLN 41 3HG GLN 41 5.669 -6.583 -10.390 326 1HE2 GLN 41 2HE2 GLN 41 5.063 -6.372 -12.690 327 2HE2 GLN 41 1HE2 GLN 41 4.076 -7.633 -13.397 328 H GLU 42 H GLU 42 6.070 -6.229 -5.575 329 HA GLU 42 HA GLU 42 3.412 -6.717 -4.303 330 1HB GLU 42 2HB GLU 42 4.920 -8.592 -3.741 331 2HB GLU 42 3HB GLU 42 6.060 -7.444 -3.007 332 1HG GLU 42 2HG GLU 42 4.394 -6.798 -1.343 333 2HG GLU 42 3HG GLU 42 3.149 -7.759 -2.155 334 H ALA 43 H ALA 43 2.670 -5.138 -3.138 335 HA ALA 43 HA ALA 43 4.369 -2.759 -2.578 336 1HB ALA 43 1HB ALA 43 1.420 -2.963 -3.232 337 2HB ALA 43 2HB ALA 43 2.185 -1.514 -2.539 338 3HB ALA 43 3HB ALA 43 2.693 -2.131 -4.122 339 H THR 44 H THR 44 4.213 -1.774 -0.612 340 HA THR 44 HA THR 44 3.265 -3.362 1.718 341 HB THR 44 HB THR 44 5.819 -1.715 1.254 342 HG1 THR 44 1HG THR 44 5.722 -3.818 0.289 343 1HG2 THR 44 1HG2 THR 44 4.798 -3.275 3.683 344 2HG2 THR 44 2HG2 THR 44 6.455 -2.660 3.508 345 3HG2 THR 44 3HG2 THR 44 5.097 -1.527 3.594 346 H ILE 45 H ILE 45 1.741 -2.092 2.804 347 HA ILE 45 HA ILE 45 2.087 0.909 2.680 348 HB ILE 45 HB ILE 45 -0.471 -0.694 2.843 349 1HG1 ILE 45 2HG1 ILE 45 0.677 -0.731 0.537 350 2HG1 ILE 45 3HG1 ILE 45 -0.992 -0.170 0.609 351 1HG2 ILE 45 1HG2 ILE 45 0.105 2.303 2.764 352 2HG2 ILE 45 2HG2 ILE 45 -1.494 1.619 2.446 353 3HG2 ILE 45 3HG2 ILE 45 -0.735 1.386 4.027 354 1HD1 ILE 45 1HD1 ILE 45 1.313 1.752 0.643 355 2HD1 ILE 45 2HD1 ILE 45 0.575 1.163 -0.860 356 3HD1 ILE 45 3HD1 ILE 45 -0.395 2.084 0.307 357 H VAL 46 H VAL 46 2.579 1.737 4.698 358 HA VAL 46 HA VAL 46 1.896 -0.052 6.996 359 HB VAL 46 HB VAL 46 4.146 1.938 7.133 360 1HG1 VAL 46 1HG1 VAL 46 4.911 0.103 8.730 361 2HG1 VAL 46 2HG1 VAL 46 3.391 0.905 9.211 362 3HG1 VAL 46 3HG1 VAL 46 3.369 -0.699 8.470 363 1HG2 VAL 46 1HG2 VAL 46 4.172 -0.821 5.894 364 2HG2 VAL 46 2HG2 VAL 46 4.748 0.688 5.162 365 3HG2 VAL 46 3HG2 VAL 46 5.635 -0.022 6.519 366 H TYR 47 H TYR 47 0.031 0.626 7.790 367 HA TYR 47 HA TYR 47 -0.351 3.554 8.156 368 1HB TYR 47 2HB TYR 47 -2.485 3.493 7.349 369 2HB TYR 47 3HB TYR 47 -1.679 2.389 6.254 370 HD1 TYR 47 1HD TYR 47 -2.028 -0.113 6.536 371 HD2 TYR 47 2HD TYR 47 -4.281 2.796 8.787 372 HE1 TYR 47 1HE TYR 47 -3.847 -1.756 6.900 373 HE2 TYR 47 2HE TYR 47 -6.009 1.088 9.252 374 HH TYR 47 HH TYR 47 -5.694 -2.289 8.192 375 H GLN 48 H GLN 48 -2.080 4.154 9.615 376 HA GLN 48 HA GLN 48 -1.651 2.678 12.123 377 1HB GLN 48 2HB GLN 48 -0.979 5.106 11.695 378 2HB GLN 48 3HB GLN 48 -2.688 5.504 11.824 379 1HG GLN 48 2HG GLN 48 -2.846 4.413 14.048 380 2HG GLN 48 3HG GLN 48 -1.182 3.842 13.927 381 1HE2 GLN 48 2HE2 GLN 48 0.161 4.920 15.267 382 2HE2 GLN 48 1HE2 GLN 48 -0.127 6.585 15.797 383 HA PRO 49 HA PRO 49 -5.971 1.493 11.430 384 1HB PRO 49 2HB PRO 49 -6.304 -0.351 13.401 385 2HB PRO 49 3HB PRO 49 -5.268 -0.637 11.976 386 1HG PRO 49 2HG PRO 49 -4.386 0.365 14.701 387 2HG PRO 49 3HG PRO 49 -3.726 -1.025 13.792 388 1HD PRO 49 2HD PRO 49 -2.534 1.380 13.671 389 2HD PRO 49 3HD PRO 49 -2.708 0.425 12.182 390 H HIS 50 H HIS 50 -6.370 3.707 11.927 391 HA HIS 50 HA HIS 50 -8.633 3.989 13.569 392 1HB HIS 50 2HB HIS 50 -6.056 4.979 14.810 393 2HB HIS 50 3HB HIS 50 -7.471 6.024 14.907 394 HD1 HIS 50 1HD HIS 50 -5.943 3.514 16.972 395 HD2 HIS 50 2HD HIS 50 -9.850 4.546 15.807 396 HE1 HIS 50 1HE HIS 50 -7.513 2.591 18.766 397 H LEU 51 H LEU 51 -5.841 5.629 12.034 398 HA LEU 51 HA LEU 51 -7.354 8.019 11.456 399 1HB LEU 51 2HB LEU 51 -4.743 7.059 10.432 400 2HB LEU 51 3HB LEU 51 -5.400 8.667 10.118 401 HG LEU 51 HG LEU 51 -4.846 7.569 12.912 402 1HD1 LEU 51 1HD1 LEU 51 -2.926 9.148 12.939 403 2HD1 LEU 51 2HD1 LEU 51 -2.732 7.917 11.687 404 3HD1 LEU 51 3HD1 LEU 51 -3.246 9.566 11.247 405 1HD2 LEU 51 1HD2 LEU 51 -6.564 9.295 13.031 406 2HD2 LEU 51 2HD2 LEU 51 -5.041 9.975 13.593 407 3HD2 LEU 51 3HD2 LEU 51 -5.620 10.357 11.959 408 H ILE 52 H ILE 52 -6.275 5.204 9.476 409 HA ILE 52 HA ILE 52 -8.284 5.818 7.461 410 HB ILE 52 HB ILE 52 -5.686 6.703 7.174 411 1HG1 ILE 52 2HG1 ILE 52 -6.210 6.372 4.626 412 2HG1 ILE 52 3HG1 ILE 52 -7.780 5.846 5.296 413 1HG2 ILE 52 1HG2 ILE 52 -5.627 4.067 5.670 414 2HG2 ILE 52 2HG2 ILE 52 -4.379 5.322 5.776 415 3HG2 ILE 52 3HG2 ILE 52 -4.770 4.385 7.216 416 1HD1 ILE 52 1HD1 ILE 52 -6.355 8.514 5.743 417 2HD1 ILE 52 2HD1 ILE 52 -7.808 8.275 4.763 418 3HD1 ILE 52 3HD1 ILE 52 -7.886 8.064 6.525 419 H SER 53 H SER 53 -8.095 3.736 5.789 420 HA SER 53 HA SER 53 -7.638 1.275 7.372 421 1HB SER 53 2HB SER 53 -9.910 0.501 6.933 422 2HB SER 53 3HB SER 53 -9.970 2.039 7.811 423 HG SER 53 HG SER 53 -11.388 2.131 6.043 424 H VAL 54 H VAL 54 -7.898 -0.681 6.025 425 HA VAL 54 HA VAL 54 -6.407 -0.589 3.675 426 HB VAL 54 HB VAL 54 -8.388 -2.711 4.521 427 1HG1 VAL 54 1HG1 VAL 54 -7.932 -3.017 2.156 428 2HG1 VAL 54 2HG1 VAL 54 -6.221 -2.597 2.389 429 3HG1 VAL 54 3HG1 VAL 54 -6.874 -4.140 3.008 430 1HG2 VAL 54 1HG2 VAL 54 -6.308 -3.905 5.241 431 2HG2 VAL 54 2HG2 VAL 54 -5.370 -2.459 4.821 432 3HG2 VAL 54 3HG2 VAL 54 -6.553 -2.403 6.154 433 H GLU 55 H GLU 55 -9.924 -0.157 4.044 434 HA GLU 55 HA GLU 55 -10.490 -0.579 1.264 435 1HB GLU 55 2HB GLU 55 -12.130 -0.565 3.210 436 2HB GLU 55 3HB GLU 55 -12.025 1.197 3.112 437 1HG GLU 55 2HG GLU 55 -12.833 -0.573 0.791 438 2HG GLU 55 3HG GLU 55 -13.994 0.119 1.928 439 H GLU 56 H GLU 56 -9.380 2.317 3.089 440 HA GLU 56 HA GLU 56 -9.804 4.171 0.975 441 1HB GLU 56 2HB GLU 56 -9.231 4.363 3.671 442 2HB GLU 56 3HB GLU 56 -7.622 4.615 2.998 443 1HG GLU 56 2HG GLU 56 -10.147 6.155 2.220 444 2HG GLU 56 3HG GLU 56 -8.903 6.709 3.343 445 H MET 57 H MET 57 -6.964 2.337 2.287 446 HA MET 57 HA MET 57 -5.015 2.991 0.470 447 1HB MET 57 2HB MET 57 -5.655 0.351 1.691 448 2HB MET 57 3HB MET 57 -4.139 0.794 0.936 449 1HG MET 57 2HG MET 57 -3.660 2.421 2.613 450 2HG MET 57 3HG MET 57 -5.261 2.285 3.333 451 1HE MET 57 1HE MET 57 -4.181 -1.263 2.474 452 2HE MET 57 2HE MET 57 -2.650 -0.399 2.225 453 3HE MET 57 3HE MET 57 -2.822 -1.541 3.568 454 H LYS 58 H LYS 58 -7.278 0.186 0.124 455 HA LYS 58 HA LYS 58 -6.352 -0.446 -2.512 456 1HB LYS 58 2HB LYS 58 -7.187 -2.138 -1.585 457 2HB LYS 58 3HB LYS 58 -8.630 -1.364 -0.776 458 1HG LYS 58 2HG LYS 58 -9.677 -1.393 -3.108 459 2HG LYS 58 3HG LYS 58 -8.215 -2.215 -3.692 460 1HD LYS 58 2HD LYS 58 -8.703 -3.879 -1.673 461 2HD LYS 58 3HD LYS 58 -10.345 -3.242 -1.763 462 1HE LYS 58 2HE LYS 58 -8.759 -4.511 -4.063 463 2HE LYS 58 3HE LYS 58 -9.912 -5.397 -3.061 464 1HZ LYS 58 1HZ LYS 58 -10.704 -3.024 -4.632 465 2HZ LYS 58 2HZ LYS 58 -10.582 -4.426 -5.307 466 3HZ LYS 58 3HZ LYS 58 -11.691 -4.232 -4.059 467 H LYS 59 H LYS 59 -9.317 1.299 -1.462 468 HA LYS 59 HA LYS 59 -10.377 1.775 -3.973 469 1HB LYS 59 2HB LYS 59 -11.240 2.321 -1.651 470 2HB LYS 59 3HB LYS 59 -10.381 3.847 -1.759 471 1HG LYS 59 2HG LYS 59 -12.370 2.878 -3.866 472 2HG LYS 59 3HG LYS 59 -12.911 3.616 -2.357 473 1HD LYS 59 2HD LYS 59 -11.739 5.671 -2.800 474 2HD LYS 59 3HD LYS 59 -10.959 5.004 -4.251 475 1HE LYS 59 2HE LYS 59 -13.103 4.746 -5.385 476 2HE LYS 59 3HE LYS 59 -13.987 5.246 -3.931 477 1HZ LYS 59 1HZ LYS 59 -12.121 6.956 -5.437 478 2HZ LYS 59 2HZ LYS 59 -13.764 7.020 -5.535 479 3HZ LYS 59 3HZ LYS 59 -13.008 7.405 -4.124 480 H GLN 60 H GLN 60 -7.910 3.708 -2.191 481 HA GLN 60 HA GLN 60 -7.482 5.574 -4.359 482 1HB GLN 60 2HB GLN 60 -5.647 4.636 -2.149 483 2HB GLN 60 3HB GLN 60 -5.263 5.956 -3.255 484 1HG GLN 60 2HG GLN 60 -7.638 5.917 -1.363 485 2HG GLN 60 3HG GLN 60 -6.130 6.800 -1.117 486 1HE2 GLN 60 2HE2 GLN 60 -8.718 7.928 -1.101 487 2HE2 GLN 60 1HE2 GLN 60 -8.846 9.048 -2.471 488 H ILE 61 H ILE 61 -5.758 2.529 -3.523 489 HA ILE 61 HA ILE 61 -3.847 2.814 -5.654 490 HB ILE 61 HB ILE 61 -4.580 0.494 -3.866 491 1HG1 ILE 61 2HG1 ILE 61 -2.277 2.508 -4.049 492 2HG1 ILE 61 3HG1 ILE 61 -3.543 2.553 -2.861 493 1HG2 ILE 61 1HG2 ILE 61 -2.401 0.734 -5.980 494 2HG2 ILE 61 2HG2 ILE 61 -2.472 -0.554 -4.752 495 3HG2 ILE 61 3HG2 ILE 61 -3.725 -0.441 -5.976 496 1HD1 ILE 61 1HD1 ILE 61 -1.392 0.448 -3.093 497 2HD1 ILE 61 2HD1 ILE 61 -1.683 1.612 -1.789 498 3HD1 ILE 61 3HD1 ILE 61 -2.836 0.285 -2.051 499 H GLU 62 H GLU 62 -6.560 0.349 -5.368 500 HA GLU 62 HA GLU 62 -6.530 -0.455 -8.017 501 1HB GLU 62 2HB GLU 62 -8.210 -0.712 -5.686 502 2HB GLU 62 3HB GLU 62 -9.235 -0.088 -6.951 503 1HG GLU 62 2HG GLU 62 -8.457 -2.011 -8.366 504 2HG GLU 62 3HG GLU 62 -7.460 -2.576 -7.021 505 H ALA 63 H ALA 63 -8.016 2.616 -6.723 506 HA ALA 63 HA ALA 63 -9.419 3.283 -9.068 507 1HB ALA 63 1HB ALA 63 -9.038 5.669 -8.375 508 2HB ALA 63 2HB ALA 63 -9.706 4.629 -7.112 509 3HB ALA 63 3HB ALA 63 -7.968 5.059 -7.097 510 H MET 64 H MET 64 -5.880 3.444 -8.517 511 HA MET 64 HA MET 64 -5.199 5.060 -10.761 512 1HB MET 64 2HB MET 64 -3.741 2.677 -9.561 513 2HB MET 64 3HB MET 64 -3.093 3.871 -10.679 514 1HG MET 64 2HG MET 64 -3.973 4.404 -7.824 515 2HG MET 64 3HG MET 64 -2.342 4.339 -8.478 516 1HE MET 64 1HE MET 64 -2.451 8.084 -7.647 517 2HE MET 64 2HE MET 64 -3.106 6.732 -6.686 518 3HE MET 64 3HE MET 64 -1.528 6.575 -7.504 519 H GLY 65 H GLY 65 -6.060 1.627 -10.400 520 1HA GLY 65 1HA GLY 65 -7.268 0.738 -12.413 521 2HA GLY 65 2HA GLY 65 -5.812 1.136 -13.344 522 H PHE 66 H PHE 66 -4.321 0.431 -10.648 523 HA PHE 66 HA PHE 66 -3.481 -2.117 -11.634 524 1HB PHE 66 2HB PHE 66 -2.816 -0.607 -9.107 525 2HB PHE 66 3HB PHE 66 -1.846 -1.929 -9.788 526 HD1 PHE 66 1HD PHE 66 -1.751 1.430 -9.301 527 HD2 PHE 66 2HD PHE 66 -1.458 -1.352 -12.579 528 HE1 PHE 66 1HE PHE 66 -0.668 3.177 -10.683 529 HE2 PHE 66 2HE PHE 66 -0.457 0.427 -13.987 530 HZ PHE 66 HZ PHE 66 -0.152 2.714 -13.064 531 HA PRO 67 HA PRO 67 -6.382 -4.247 -8.771 532 1HB PRO 67 2HB PRO 67 -5.899 -6.831 -9.499 533 2HB PRO 67 3HB PRO 67 -6.876 -5.722 -10.509 534 1HG PRO 67 2HG PRO 67 -3.942 -6.400 -10.811 535 2HG PRO 67 3HG PRO 67 -5.195 -6.406 -12.085 536 1HD PRO 67 2HD PRO 67 -3.508 -4.305 -11.688 537 2HD PRO 67 3HD PRO 67 -5.204 -4.034 -12.197 538 H ALA 68 H ALA 68 -5.903 -5.057 -6.695 539 HA ALA 68 HA ALA 68 -3.114 -5.897 -6.169 540 1HB ALA 68 1HB ALA 68 -4.607 -3.854 -4.491 541 2HB ALA 68 2HB ALA 68 -2.969 -4.504 -4.234 542 3HB ALA 68 3HB ALA 68 -3.309 -3.470 -5.645 543 H PHE 69 H PHE 69 -2.879 -7.473 -4.652 544 HA PHE 69 HA PHE 69 -5.379 -8.578 -3.385 545 1HB PHE 69 2HB PHE 69 -2.918 -9.856 -4.414 546 2HB PHE 69 3HB PHE 69 -3.903 -10.649 -3.198 547 HD1 PHE 69 1HD PHE 69 -3.941 -9.321 -6.699 548 HD2 PHE 69 2HD PHE 69 -5.988 -11.706 -3.738 549 HE1 PHE 69 1HE PHE 69 -5.408 -10.260 -8.457 550 HE2 PHE 69 2HE PHE 69 -7.425 -12.667 -5.511 551 HZ PHE 69 HZ PHE 69 -7.142 -11.945 -7.872 552 H VAL 70 H VAL 70 -5.084 -6.890 -1.804 553 HA VAL 70 HA VAL 70 -3.023 -6.885 0.228 554 HB VAL 70 HB VAL 70 -4.412 -5.029 -0.325 555 1HG1 VAL 70 1HG1 VAL 70 -6.620 -4.780 0.380 556 2HG1 VAL 70 2HG1 VAL 70 -6.550 -6.318 -0.511 557 3HG1 VAL 70 3HG1 VAL 70 -6.605 -6.318 1.268 558 1HG2 VAL 70 1HG2 VAL 70 -3.137 -5.232 1.812 559 2HG2 VAL 70 2HG2 VAL 70 -4.619 -4.287 2.002 560 3HG2 VAL 70 3HG2 VAL 70 -4.569 -5.972 2.564 561 H LYS 71 H LYS 71 -2.530 -8.893 1.179 562 HA LYS 71 HA LYS 71 -4.590 -9.955 2.926 563 1HB LYS 71 2HB LYS 71 -4.425 -12.213 2.134 564 2HB LYS 71 3HB LYS 71 -5.256 -11.115 1.016 565 1HG LYS 71 2HG LYS 71 -3.365 -10.919 -0.375 566 2HG LYS 71 3HG LYS 71 -2.323 -11.743 0.778 567 1HD LYS 71 2HD LYS 71 -3.871 -13.793 0.561 568 2HD LYS 71 3HD LYS 71 -4.693 -12.949 -0.766 569 1HE LYS 71 2HE LYS 71 -2.538 -12.926 -2.044 570 2HE LYS 71 3HE LYS 71 -1.743 -13.750 -0.686 571 1HZ LYS 71 1HZ LYS 71 -3.936 -14.866 -2.306 572 2HZ LYS 71 2HZ LYS 71 -2.357 -15.302 -2.391 573 3HZ LYS 71 3HZ LYS 71 -3.219 -15.615 -1.030 574 H LYS 72 H LYS 72 -2.573 -8.704 3.975 575 HA LYS 72 HA LYS 72 -1.174 -10.816 5.400 576 1HB LYS 72 2HB LYS 72 0.131 -9.676 3.194 577 2HB LYS 72 3HB LYS 72 0.629 -8.627 4.513 578 1HG LYS 72 2HG LYS 72 2.310 -10.077 4.749 579 2HG LYS 72 3HG LYS 72 1.155 -11.043 5.664 580 1HD LYS 72 2HD LYS 72 0.638 -12.363 3.611 581 2HD LYS 72 3HD LYS 72 1.610 -11.254 2.640 582 1HE LYS 72 2HE LYS 72 2.880 -13.296 2.997 583 2HE LYS 72 3HE LYS 72 3.675 -11.907 3.760 584 1HZ LYS 72 1HZ LYS 72 2.021 -13.840 5.254 585 2HZ LYS 72 2HZ LYS 72 3.677 -13.838 5.172 586 3HZ LYS 72 3HZ LYS 72 2.917 -12.575 5.837 587 H ILE 73 H ILE 73 -1.143 -10.033 7.553 588 HA ILE 73 HA ILE 73 -1.445 -7.108 7.992 589 HB ILE 73 HB ILE 73 -3.668 -8.038 8.085 590 1HG1 ILE 73 2HG1 ILE 73 -4.378 -7.530 10.385 591 2HG1 ILE 73 3HG1 ILE 73 -2.704 -7.466 10.922 592 1HG2 ILE 73 1HG2 ILE 73 -3.194 -10.412 8.499 593 2HG2 ILE 73 2HG2 ILE 73 -2.751 -10.046 10.179 594 3HG2 ILE 73 3HG2 ILE 73 -4.400 -9.769 9.611 595 1HD1 ILE 73 1HD1 ILE 73 -3.957 -5.688 8.786 596 2HD1 ILE 73 2HD1 ILE 73 -3.656 -5.229 10.474 597 3HD1 ILE 73 3HD1 ILE 73 -2.288 -5.553 9.401 598 H GLU 74 H GLU 74 0.948 -7.608 8.092 599 HA GLU 74 HA GLU 74 1.719 -9.146 10.503 600 1HB GLU 74 2HB GLU 74 3.395 -8.033 8.260 601 2HB GLU 74 3HB GLU 74 4.050 -8.773 9.718 602 1HG GLU 74 2HG GLU 74 2.913 -10.861 9.268 603 2HG GLU 74 3HG GLU 74 1.980 -10.143 7.945 604 H GLY 75 H GLY 75 2.187 -8.314 12.343 605 1HA GLY 75 1HA GLY 75 3.042 -5.766 13.153 606 2HA GLY 75 2HA GLY 75 1.275 -5.703 12.968 607 H ARG 76 H ARG 76 3.966 -7.289 14.638 608 HA ARG 76 HA ARG 76 2.361 -7.731 16.993 609 1HB ARG 76 2HB ARG 76 4.121 -9.858 15.654 610 2HB ARG 76 3HB ARG 76 4.042 -9.689 17.405 611 1HG ARG 76 2HG ARG 76 2.538 -11.364 16.991 612 2HG ARG 76 3HG ARG 76 1.544 -9.940 17.301 613 1HD ARG 76 2HD ARG 76 1.189 -9.732 14.791 614 2HD ARG 76 3HD ARG 76 2.260 -11.102 14.560 615 HE ARG 76 HE ARG 76 0.593 -12.549 15.104 616 1HH1 ARG 76 1HH2 ARG 76 -0.369 -9.311 16.116 617 2HH1 ARG 76 2HH2 ARG 76 -1.903 -9.787 16.780 618 1HH2 ARG 76 1HH1 ARG 76 -1.436 -13.236 15.966 619 2HH2 ARG 76 2HH1 ARG 76 -2.534 -12.091 16.659 Start of MODEL 7 1 1H GLY 1 1H GLY 1 3.613 -0.488 15.942 2 2H GLY 1 2H GLY 1 3.527 -0.927 17.534 3 3H GLY 1 3H GLY 1 2.798 -1.880 16.439 4 1HA GLY 1 1HA GLY 1 1.112 -0.686 17.504 5 2HA GLY 1 2HA GLY 1 1.987 0.832 17.220 6 H GLU 2 H GLU 2 2.739 0.872 14.759 7 HA GLU 2 HA GLU 2 0.598 1.194 12.920 8 1HB GLU 2 2HB GLU 2 2.476 1.210 11.292 9 2HB GLU 2 3HB GLU 2 2.741 2.310 12.645 10 1HG GLU 2 2HG GLU 2 3.958 -0.490 12.678 11 2HG GLU 2 3HG GLU 2 4.707 0.812 11.777 12 H VAL 3 H VAL 3 0.201 -0.176 10.935 13 HA VAL 3 HA VAL 3 0.980 -2.993 11.239 14 HB VAL 3 HB VAL 3 -1.089 -3.646 10.543 15 1HG1 VAL 3 1HG1 VAL 3 -0.777 -3.340 12.981 16 2HG1 VAL 3 2HG1 VAL 3 -1.473 -1.713 12.859 17 3HG1 VAL 3 3HG1 VAL 3 -2.469 -3.134 12.499 18 1HG2 VAL 3 1HG2 VAL 3 -3.036 -2.087 10.361 19 2HG2 VAL 3 2HG2 VAL 3 -1.844 -0.761 10.352 20 3HG2 VAL 3 3HG2 VAL 3 -1.797 -2.008 9.089 21 H VAL 4 H VAL 4 1.840 -3.872 9.519 22 HA VAL 4 HA VAL 4 2.217 -2.377 7.018 23 HB VAL 4 HB VAL 4 3.650 -4.477 8.446 24 1HG1 VAL 4 1HG1 VAL 4 3.157 -5.053 5.494 25 2HG1 VAL 4 2HG1 VAL 4 4.398 -5.801 6.517 26 3HG1 VAL 4 3HG1 VAL 4 2.704 -6.105 6.855 27 1HG2 VAL 4 1HG2 VAL 4 5.488 -3.772 7.047 28 2HG2 VAL 4 2HG2 VAL 4 4.368 -2.898 5.988 29 3HG2 VAL 4 3HG2 VAL 4 4.622 -2.365 7.673 30 H LEU 5 H LEU 5 0.783 -2.579 5.430 31 HA LEU 5 HA LEU 5 -0.852 -5.062 5.172 32 1HB LEU 5 2HB LEU 5 -0.885 -2.316 3.919 33 2HB LEU 5 3HB LEU 5 -1.650 -3.664 3.075 34 HG LEU 5 HG LEU 5 -2.323 -2.995 5.946 35 1HD1 LEU 5 1HD1 LEU 5 -2.684 -0.966 4.570 36 2HD1 LEU 5 2HD1 LEU 5 -3.562 -1.921 3.362 37 3HD1 LEU 5 3HD1 LEU 5 -4.257 -1.684 4.981 38 1HD2 LEU 5 1HD2 LEU 5 -4.154 -4.445 5.607 39 2HD2 LEU 5 2HD2 LEU 5 -4.171 -4.123 3.859 40 3HD2 LEU 5 3HD2 LEU 5 -2.972 -5.195 4.509 41 H LYS 6 H LYS 6 -0.057 -6.533 3.769 42 HA LYS 6 HA LYS 6 2.109 -5.767 1.882 43 1HB LYS 6 2HB LYS 6 2.283 -7.595 3.834 44 2HB LYS 6 3HB LYS 6 1.497 -8.602 2.615 45 1HG LYS 6 2HG LYS 6 3.535 -9.001 1.760 46 2HG LYS 6 3HG LYS 6 3.577 -7.335 1.173 47 1HD LYS 6 2HD LYS 6 4.562 -6.567 3.280 48 2HD LYS 6 3HD LYS 6 4.355 -8.170 4.002 49 1HE LYS 6 2HE LYS 6 5.855 -9.086 2.098 50 2HE LYS 6 3HE LYS 6 6.273 -7.402 1.758 51 1HZ LYS 6 1HZ LYS 6 6.669 -8.789 4.342 52 2HZ LYS 6 2HZ LYS 6 7.834 -8.491 3.218 53 3HZ LYS 6 3HZ LYS 6 7.112 -7.240 4.007 54 H MET 7 H MET 7 1.332 -5.797 -0.247 55 HA MET 7 HA MET 7 -0.960 -7.518 -0.840 56 1HB MET 7 2HB MET 7 -2.089 -5.674 -1.883 57 2HB MET 7 3HB MET 7 -1.666 -5.261 -0.195 58 1HG MET 7 2HG MET 7 0.294 -4.110 -1.095 59 2HG MET 7 3HG MET 7 -0.547 -4.171 -2.673 60 1HE MET 7 1HE MET 7 -3.446 -3.615 -2.154 61 2HE MET 7 2HE MET 7 -3.660 -1.880 -1.844 62 3HE MET 7 3HE MET 7 -2.638 -2.425 -3.199 63 H LYS 8 H LYS 8 -0.926 -8.373 -2.751 64 HA LYS 8 HA LYS 8 1.622 -8.171 -4.333 65 1HB LYS 8 2HB LYS 8 -0.801 -9.982 -4.617 66 2HB LYS 8 3HB LYS 8 0.449 -9.830 -5.848 67 1HG LYS 8 2HG LYS 8 0.928 -11.728 -4.554 68 2HG LYS 8 3HG LYS 8 2.174 -10.494 -4.272 69 1HD LYS 8 2HD LYS 8 1.221 -9.984 -2.055 70 2HD LYS 8 3HD LYS 8 -0.198 -10.981 -2.403 71 1HE LYS 8 2HE LYS 8 1.287 -12.192 -0.910 72 2HE LYS 8 3HE LYS 8 1.269 -13.012 -2.480 73 1HZ LYS 8 1HZ LYS 8 3.354 -11.166 -1.494 74 2HZ LYS 8 2HZ LYS 8 3.505 -12.785 -1.600 75 3HZ LYS 8 3HZ LYS 8 3.380 -11.873 -2.965 76 H VAL 9 H VAL 9 1.724 -7.111 -6.373 77 HA VAL 9 HA VAL 9 -0.777 -5.879 -7.408 78 HB VAL 9 HB VAL 9 0.676 -3.999 -8.159 79 1HG1 VAL 9 1HG1 VAL 9 0.341 -4.272 -5.145 80 2HG1 VAL 9 2HG1 VAL 9 0.616 -2.749 -6.020 81 3HG1 VAL 9 3HG1 VAL 9 -0.862 -3.675 -6.312 82 1HG2 VAL 9 1HG2 VAL 9 2.755 -3.462 -7.017 83 2HG2 VAL 9 2HG2 VAL 9 2.678 -4.966 -6.084 84 3HG2 VAL 9 3HG2 VAL 9 2.900 -5.012 -7.851 85 H GLU 10 H GLU 10 -0.757 -5.808 -9.726 86 HA GLU 10 HA GLU 10 1.392 -7.497 -10.953 87 1HB GLU 10 2HB GLU 10 -1.503 -7.204 -11.793 88 2HB GLU 10 3HB GLU 10 -0.286 -8.181 -12.623 89 1HG GLU 10 2HG GLU 10 -1.069 -8.701 -9.713 90 2HG GLU 10 3HG GLU 10 -1.887 -9.425 -11.095 91 H GLY 11 H GLY 11 2.228 -6.956 -12.916 92 1HA GLY 11 1HA GLY 11 2.698 -5.671 -14.764 93 2HA GLY 11 2HA GLY 11 1.288 -4.664 -14.423 94 H MET 12 H MET 12 2.181 -3.890 -11.722 95 HA MET 12 HA MET 12 3.714 -1.582 -12.352 96 1HB MET 12 2HB MET 12 3.144 -2.891 -9.666 97 2HB MET 12 3HB MET 12 3.865 -1.289 -9.974 98 1HG MET 12 2HG MET 12 1.813 -0.484 -10.962 99 2HG MET 12 3HG MET 12 1.091 -2.092 -10.948 100 1HE MET 12 1HE MET 12 2.664 0.617 -8.514 101 2HE MET 12 2HE MET 12 2.015 0.052 -6.954 102 3HE MET 12 3HE MET 12 3.196 -0.938 -7.820 103 H THR 13 H THR 13 5.461 -2.705 -13.445 104 HA THR 13 HA THR 13 7.690 -3.572 -11.661 105 HB THR 13 HB THR 13 7.196 -4.630 -14.438 106 HG1 THR 13 1HG THR 13 6.133 -6.383 -13.006 107 1HG2 THR 13 1HG2 THR 13 8.371 -5.832 -11.889 108 2HG2 THR 13 2HG2 THR 13 8.336 -6.601 -13.493 109 3HG2 THR 13 3HG2 THR 13 9.330 -5.156 -13.225 110 H CYS 14 HN CYS 14 7.447 -0.846 -12.325 111 HA CYS 14 HA CYS 14 9.977 -0.379 -13.664 112 1HB CYS 14 2HB CYS 14 8.778 1.268 -15.277 113 2HB CYS 14 3HB CYS 14 8.777 -0.453 -15.655 114 H HIS 15 H HIS 15 10.707 1.763 -13.279 115 HA HIS 15 HA HIS 15 9.788 2.892 -10.764 116 1HB HIS 15 2HB HIS 15 12.075 3.469 -12.656 117 2HB HIS 15 3HB HIS 15 11.679 4.579 -11.346 118 HD1 HIS 15 1HD HIS 15 13.016 4.227 -9.261 119 HD2 HIS 15 2HD HIS 15 12.226 0.692 -11.407 120 HE1 HIS 15 1HE HIS 15 14.101 2.321 -7.955 121 H SER 16 H SER 16 7.643 3.090 -12.155 122 HA SER 16 HA SER 16 7.287 6.029 -12.360 123 1HB SER 16 2HB SER 16 6.130 4.039 -14.384 124 2HB SER 16 3HB SER 16 5.725 5.762 -14.261 125 HG SER 16 HG SER 16 7.372 5.282 -15.833 126 H CYS 17 HN CYS 17 5.452 2.946 -12.591 127 HA CYS 17 HA CYS 17 3.124 3.961 -11.406 128 1HB CYS 17 2HB CYS 17 3.986 1.046 -11.343 129 2HB CYS 17 3HB CYS 17 2.355 1.722 -11.406 130 H THR 18 H THR 18 5.658 1.874 -10.024 131 HA THR 18 HA THR 18 4.876 1.702 -7.372 132 HB THR 18 HB THR 18 6.702 0.460 -8.302 133 HG1 THR 18 1HG THR 18 7.503 2.078 -6.087 134 1HG2 THR 18 1HG2 THR 18 8.618 2.790 -8.190 135 2HG2 THR 18 2HG2 THR 18 8.804 1.184 -8.899 136 3HG2 THR 18 3HG2 THR 18 7.746 2.368 -9.687 137 H SER 19 H SER 19 7.105 4.182 -8.688 138 HA SER 19 HA SER 19 7.321 5.561 -6.235 139 1HB SER 19 2HB SER 19 8.947 5.657 -8.134 140 2HB SER 19 3HB SER 19 7.773 6.597 -9.087 141 HG SER 19 HG SER 19 9.341 7.898 -7.980 142 H THR 20 H THR 20 5.128 6.015 -9.055 143 HA THR 20 HA THR 20 3.949 8.465 -8.199 144 HB THR 20 HB THR 20 2.782 6.195 -9.864 145 HG1 THR 20 1HG THR 20 4.595 7.122 -10.772 146 1HG2 THR 20 1HG2 THR 20 1.889 9.095 -9.528 147 2HG2 THR 20 2HG2 THR 20 1.287 7.975 -10.767 148 3HG2 THR 20 3HG2 THR 20 0.959 7.652 -9.056 149 H ILE 21 H ILE 21 3.028 4.994 -7.518 150 HA ILE 21 HA ILE 21 0.771 5.747 -5.913 151 HB ILE 21 HB ILE 21 2.258 3.276 -6.693 152 1HG1 ILE 21 2HG1 ILE 21 -0.683 3.711 -6.142 153 2HG1 ILE 21 3HG1 ILE 21 0.094 4.349 -7.586 154 1HG2 ILE 21 1HG2 ILE 21 0.640 3.392 -4.159 155 2HG2 ILE 21 2HG2 ILE 21 1.112 1.906 -5.013 156 3HG2 ILE 21 3HG2 ILE 21 2.369 2.940 -4.324 157 1HD1 ILE 21 1HD1 ILE 21 0.069 1.396 -6.874 158 2HD1 ILE 21 2HD1 ILE 21 -1.015 2.220 -7.994 159 3HD1 ILE 21 3HD1 ILE 21 0.723 2.148 -8.352 160 H GLU 22 H GLU 22 4.103 4.768 -5.072 161 HA GLU 22 HA GLU 22 4.089 5.087 -2.325 162 1HB GLU 22 2HB GLU 22 6.041 5.385 -4.568 163 2HB GLU 22 3HB GLU 22 6.605 6.058 -3.080 164 1HG GLU 22 2HG GLU 22 6.291 3.908 -1.938 165 2HG GLU 22 3HG GLU 22 5.446 3.251 -3.353 166 H GLY 23 H GLY 23 4.699 7.706 -4.713 167 1HA GLY 23 1HA GLY 23 4.804 9.856 -2.908 168 2HA GLY 23 2HA GLY 23 4.338 9.953 -4.613 169 H LYS 24 H LYS 24 1.965 8.731 -4.876 170 HA LYS 24 HA LYS 24 0.233 10.725 -3.933 171 1HB LYS 24 2HB LYS 24 0.052 8.853 -5.890 172 2HB LYS 24 3HB LYS 24 -0.907 8.034 -4.674 173 1HG LYS 24 2HG LYS 24 -2.605 9.234 -5.565 174 2HG LYS 24 3HG LYS 24 -2.027 10.538 -4.532 175 1HD LYS 24 2HD LYS 24 -0.581 11.362 -6.411 176 2HD LYS 24 3HD LYS 24 -1.144 10.020 -7.421 177 1HE LYS 24 2HE LYS 24 -3.519 10.895 -7.141 178 2HE LYS 24 3HE LYS 24 -2.836 12.321 -6.343 179 1HZ LYS 24 1HZ LYS 24 -2.288 11.438 -9.108 180 2HZ LYS 24 2HZ LYS 24 -3.221 12.713 -8.664 181 3HZ LYS 24 3HZ LYS 24 -1.601 12.749 -8.389 182 H ILE 25 H ILE 25 0.567 7.359 -2.917 183 HA ILE 25 HA ILE 25 -1.454 7.524 -0.900 184 HB ILE 25 HB ILE 25 0.627 5.417 -1.402 185 1HG1 ILE 25 2HG1 ILE 25 -0.824 5.736 -3.320 186 2HG1 ILE 25 3HG1 ILE 25 -0.948 4.148 -2.551 187 1HG2 ILE 25 1HG2 ILE 25 -1.779 5.417 0.438 188 2HG2 ILE 25 2HG2 ILE 25 -0.940 3.949 -0.105 189 3HG2 ILE 25 3HG2 ILE 25 -0.077 5.154 0.860 190 1HD1 ILE 25 1HD1 ILE 25 -2.868 6.457 -2.199 191 2HD1 ILE 25 2HD1 ILE 25 -3.121 4.999 -3.188 192 3HD1 ILE 25 3HD1 ILE 25 -2.994 4.858 -1.416 193 H GLY 26 H GLY 26 2.133 7.745 -0.865 194 1HA GLY 26 1HA GLY 26 2.665 7.767 1.856 195 2HA GLY 26 2HA GLY 26 3.502 8.750 0.641 196 H LYS 27 H LYS 27 1.072 10.335 -0.104 197 HA LYS 27 HA LYS 27 1.366 12.351 1.871 198 1HB LYS 27 2HB LYS 27 1.175 12.631 -0.581 199 2HB LYS 27 3HB LYS 27 -0.533 12.153 -0.517 200 1HG LYS 27 2HG LYS 27 -1.116 14.056 0.789 201 2HG LYS 27 3HG LYS 27 0.584 14.369 1.176 202 1HD LYS 27 2HD LYS 27 0.706 14.604 -1.539 203 2HD LYS 27 3HD LYS 27 -0.992 15.058 -1.294 204 1HE LYS 27 2HE LYS 27 -0.241 16.774 0.397 205 2HE LYS 27 3HE LYS 27 1.440 16.278 0.132 206 1HZ LYS 27 1HZ LYS 27 -0.308 17.520 -1.880 207 2HZ LYS 27 2HZ LYS 27 0.954 18.225 -1.097 208 3HZ LYS 27 3HZ LYS 27 1.233 16.997 -2.150 209 H LEU 28 H LEU 28 -0.817 9.583 1.890 210 HA LEU 28 HA LEU 28 -3.141 11.029 2.657 211 1HB LEU 28 2HB LEU 28 -2.483 8.148 3.198 212 2HB LEU 28 3HB LEU 28 -4.045 8.930 3.248 213 HG LEU 28 HG LEU 28 -2.584 7.936 0.897 214 1HD1 LEU 28 1HD1 LEU 28 -4.682 6.988 1.857 215 2HD1 LEU 28 2HD1 LEU 28 -5.511 8.479 1.382 216 3HD1 LEU 28 3HD1 LEU 28 -4.788 7.423 0.145 217 1HD2 LEU 28 1HD2 LEU 28 -2.550 10.320 0.207 218 2HD2 LEU 28 2HD2 LEU 28 -3.767 9.431 -0.696 219 3HD2 LEU 28 3HD2 LEU 28 -4.268 10.473 0.647 220 H GLN 29 H GLN 29 -4.030 11.463 4.569 221 HA GLN 29 HA GLN 29 -2.383 11.647 6.852 222 1HB GLN 29 2HB GLN 29 -4.318 12.670 7.930 223 2HB GLN 29 3HB GLN 29 -4.051 13.294 6.295 224 1HG GLN 29 2HG GLN 29 -5.800 11.365 5.647 225 2HG GLN 29 3HG GLN 29 -6.287 11.544 7.327 226 1HE2 GLN 29 2HE2 GLN 29 -7.396 13.474 7.974 227 2HE2 GLN 29 1HE2 GLN 29 -7.919 14.657 6.787 228 H GLY 30 H GLY 30 -1.707 9.513 7.179 229 1HA GLY 30 1HA GLY 30 -2.793 8.123 9.328 230 2HA GLY 30 2HA GLY 30 -3.644 7.447 7.950 231 H VAL 31 H VAL 31 -0.999 7.894 6.317 232 HA VAL 31 HA VAL 31 0.055 5.269 7.077 233 HB VAL 31 HB VAL 31 0.465 7.099 4.643 234 1HG1 VAL 31 1HG1 VAL 31 1.320 4.203 5.006 235 2HG1 VAL 31 2HG1 VAL 31 1.452 5.151 3.513 236 3HG1 VAL 31 3HG1 VAL 31 2.411 5.612 4.922 237 1HG2 VAL 31 1HG2 VAL 31 -1.204 4.564 4.962 238 2HG2 VAL 31 2HG2 VAL 31 -1.840 6.209 4.754 239 3HG2 VAL 31 3HG2 VAL 31 -0.943 5.443 3.440 240 H GLN 32 H GLN 32 2.071 4.927 7.871 241 HA GLN 32 HA GLN 32 3.655 7.352 8.611 242 1HB GLN 32 2HB GLN 32 4.772 5.956 10.191 243 2HB GLN 32 3HB GLN 32 3.019 5.931 10.437 244 1HG GLN 32 2HG GLN 32 2.833 3.711 10.073 245 2HG GLN 32 3HG GLN 32 3.987 3.686 8.753 246 1HE2 GLN 32 2HE2 GLN 32 4.145 4.404 12.295 247 2HE2 GLN 32 1HE2 GLN 32 5.400 3.210 12.589 248 H ARG 33 H ARG 33 3.741 4.398 6.663 249 HA ARG 33 HA ARG 33 6.186 5.238 5.331 250 1HB ARG 33 2HB ARG 33 6.249 3.267 7.519 251 2HB ARG 33 3HB ARG 33 6.628 2.492 5.981 252 1HG ARG 33 2HG ARG 33 8.372 4.225 5.550 253 2HG ARG 33 3HG ARG 33 8.028 4.920 7.153 254 1HD ARG 33 2HD ARG 33 8.549 2.712 8.191 255 2HD ARG 33 3HD ARG 33 8.925 2.057 6.575 256 HE ARG 33 HE ARG 33 10.477 4.408 7.051 257 1HH1 ARG 33 1HH2 ARG 33 10.216 1.071 8.134 258 2HH1 ARG 33 2HH2 ARG 33 11.891 0.883 8.549 259 1HH2 ARG 33 1HH1 ARG 33 12.723 4.228 7.624 260 2HH2 ARG 33 2HH1 ARG 33 13.349 2.742 8.257 261 H ILE 34 H ILE 34 6.574 3.775 3.452 262 HA ILE 34 HA ILE 34 4.462 2.041 2.644 263 HB ILE 34 HB ILE 34 3.424 4.171 2.177 264 1HG1 ILE 34 2HG1 ILE 34 4.584 3.174 -0.430 265 2HG1 ILE 34 3HG1 ILE 34 3.498 2.204 0.517 266 1HG2 ILE 34 1HG2 ILE 34 5.884 4.989 0.568 267 2HG2 ILE 34 2HG2 ILE 34 4.379 5.907 0.735 268 3HG2 ILE 34 3HG2 ILE 34 5.412 5.668 2.139 269 1HD1 ILE 34 1HD1 ILE 34 2.780 4.988 -0.498 270 2HD1 ILE 34 2HD1 ILE 34 2.270 3.456 -1.236 271 3HD1 ILE 34 3HD1 ILE 34 1.741 3.877 0.407 272 H LYS 35 H LYS 35 5.364 0.658 1.143 273 HA LYS 35 HA LYS 35 7.798 1.339 -0.162 274 1HB LYS 35 2HB LYS 35 7.676 -0.805 1.949 275 2HB LYS 35 3HB LYS 35 8.626 -1.098 0.500 276 1HG LYS 35 2HG LYS 35 8.943 1.241 2.431 277 2HG LYS 35 3HG LYS 35 9.921 -0.230 2.438 278 1HD LYS 35 2HD LYS 35 10.760 0.269 0.163 279 2HD LYS 35 3HD LYS 35 9.793 1.755 0.116 280 1HE LYS 35 2HE LYS 35 10.991 2.549 2.190 281 2HE LYS 35 3HE LYS 35 12.110 1.186 1.988 282 1HZ LYS 35 1HZ LYS 35 11.582 3.317 0.009 283 2HZ LYS 35 2HZ LYS 35 12.925 3.202 0.953 284 3HZ LYS 35 3HZ LYS 35 12.632 2.072 -0.206 285 H VAL 36 H VAL 36 8.275 0.101 -2.069 286 HA VAL 36 HA VAL 36 6.144 -1.798 -2.810 287 HB VAL 36 HB VAL 36 6.900 0.655 -4.404 288 1HG1 VAL 36 1HG1 VAL 36 5.232 -1.827 -5.147 289 2HG1 VAL 36 2HG1 VAL 36 5.276 -0.341 -6.107 290 3HG1 VAL 36 3HG1 VAL 36 6.738 -1.317 -5.938 291 1HG2 VAL 36 1HG2 VAL 36 5.149 1.084 -2.751 292 2HG2 VAL 36 2HG2 VAL 36 4.480 1.092 -4.383 293 3HG2 VAL 36 3HG2 VAL 36 4.226 -0.316 -3.332 294 H SER 37 H SER 37 7.058 -3.627 -3.232 295 HA SER 37 HA SER 37 9.891 -3.828 -4.072 296 1HB SER 37 2HB SER 37 7.939 -5.935 -3.291 297 2HB SER 37 3HB SER 37 9.687 -6.121 -3.485 298 HG SER 37 HG SER 37 8.912 -5.854 -1.259 299 H LEU 38 H LEU 38 8.977 -2.690 -6.086 300 HA LEU 38 HA LEU 38 7.092 -3.737 -7.819 301 1HB LEU 38 2HB LEU 38 8.346 -2.813 -9.680 302 2HB LEU 38 3HB LEU 38 7.930 -1.678 -8.417 303 HG LEU 38 HG LEU 38 10.687 -2.928 -8.496 304 1HD1 LEU 38 1HD1 LEU 38 9.770 -0.539 -10.110 305 2HD1 LEU 38 2HD1 LEU 38 11.448 -1.102 -9.899 306 3HD1 LEU 38 3HD1 LEU 38 10.273 -2.120 -10.741 307 1HD2 LEU 38 1HD2 LEU 38 10.799 -0.220 -7.747 308 2HD2 LEU 38 2HD2 LEU 38 9.336 -0.826 -6.953 309 3HD2 LEU 38 3HD2 LEU 38 10.893 -1.624 -6.670 310 H ASP 39 H ASP 39 10.497 -4.675 -7.455 311 HA ASP 39 HA ASP 39 11.001 -6.341 -9.506 312 1HB ASP 39 2HB ASP 39 11.676 -7.109 -6.616 313 2HB ASP 39 3HB ASP 39 12.621 -7.422 -8.058 314 H ASN 40 H ASN 40 9.500 -7.284 -6.434 315 HA ASN 40 HA ASN 40 8.980 -9.950 -7.552 316 1HB ASN 40 2HB ASN 40 10.226 -9.753 -5.414 317 2HB ASN 40 3HB ASN 40 8.717 -9.154 -4.705 318 1HD2 ASN 40 2HD2 ASN 40 8.213 -10.939 -3.329 319 2HD2 ASN 40 1HD2 ASN 40 8.008 -12.570 -3.954 320 H GLN 41 H GLN 41 7.471 -7.366 -8.104 321 HA GLN 41 HA GLN 41 5.547 -6.398 -8.044 322 1HB GLN 41 2HB GLN 41 5.444 -9.046 -9.244 323 2HB GLN 41 3HB GLN 41 3.825 -8.633 -8.737 324 1HG GLN 41 2HG GLN 41 3.838 -6.651 -10.116 325 2HG GLN 41 3HG GLN 41 5.593 -6.692 -10.266 326 1HE2 GLN 41 2HE2 GLN 41 2.794 -9.057 -11.095 327 2HE2 GLN 41 1HE2 GLN 41 3.559 -9.412 -12.613 328 H GLU 42 H GLU 42 6.032 -6.256 -5.655 329 HA GLU 42 HA GLU 42 3.473 -6.850 -4.256 330 1HB GLU 42 2HB GLU 42 5.412 -8.536 -3.681 331 2HB GLU 42 3HB GLU 42 6.050 -7.193 -2.721 332 1HG GLU 42 2HG GLU 42 3.839 -7.068 -1.518 333 2HG GLU 42 3HG GLU 42 3.280 -8.445 -2.477 334 H ALA 43 H ALA 43 2.881 -5.404 -2.674 335 HA ALA 43 HA ALA 43 4.409 -2.879 -2.450 336 1HB ALA 43 1HB ALA 43 1.457 -3.224 -3.001 337 2HB ALA 43 2HB ALA 43 2.200 -1.698 -2.481 338 3HB ALA 43 3HB ALA 43 2.660 -2.440 -4.029 339 H THR 44 H THR 44 4.175 -1.782 -0.531 340 HA THR 44 HA THR 44 3.337 -3.309 1.878 341 HB THR 44 HB THR 44 5.894 -1.704 1.272 342 HG1 THR 44 1HG THR 44 5.623 -3.944 0.459 343 1HG2 THR 44 1HG2 THR 44 4.946 -3.182 3.771 344 2HG2 THR 44 2HG2 THR 44 6.585 -2.539 3.532 345 3HG2 THR 44 3HG2 THR 44 5.208 -1.427 3.624 346 H ILE 45 H ILE 45 1.777 -2.028 2.871 347 HA ILE 45 HA ILE 45 2.053 0.973 2.628 348 HB ILE 45 HB ILE 45 -0.484 -0.681 2.703 349 1HG1 ILE 45 2HG1 ILE 45 0.781 -0.941 0.522 350 2HG1 ILE 45 3HG1 ILE 45 -0.875 -0.325 0.448 351 1HG2 ILE 45 1HG2 ILE 45 0.003 2.297 2.410 352 2HG2 ILE 45 2HG2 ILE 45 -1.525 1.465 2.052 353 3HG2 ILE 45 3HG2 ILE 45 -0.870 1.447 3.704 354 1HD1 ILE 45 1HD1 ILE 45 1.551 1.450 0.394 355 2HD1 ILE 45 2HD1 ILE 45 0.770 0.821 -1.064 356 3HD1 ILE 45 3HD1 ILE 45 -0.121 1.902 0.026 357 H VAL 46 H VAL 46 2.745 1.708 4.619 358 HA VAL 46 HA VAL 46 2.102 -0.054 6.938 359 HB VAL 46 HB VAL 46 4.192 2.110 6.952 360 1HG1 VAL 46 1HG1 VAL 46 5.127 0.604 8.686 361 2HG1 VAL 46 2HG1 VAL 46 3.498 1.166 9.103 362 3HG1 VAL 46 3HG1 VAL 46 3.737 -0.477 8.491 363 1HG2 VAL 46 1HG2 VAL 46 4.855 0.764 5.063 364 2HG2 VAL 46 2HG2 VAL 46 5.790 0.180 6.450 365 3HG2 VAL 46 3HG2 VAL 46 4.364 -0.718 5.892 366 H TYR 47 H TYR 47 0.142 0.536 7.698 367 HA TYR 47 HA TYR 47 -0.416 3.457 7.960 368 1HB TYR 47 2HB TYR 47 -2.514 3.249 7.220 369 2HB TYR 47 3HB TYR 47 -1.722 2.076 6.194 370 HD1 TYR 47 1HD TYR 47 -4.298 2.652 8.710 371 HD2 TYR 47 2HD TYR 47 -1.957 -0.430 6.809 372 HE1 TYR 47 1HE TYR 47 -6.064 1.010 9.203 373 HE2 TYR 47 2HE TYR 47 -3.726 -2.094 7.405 374 HH TYR 47 HH TYR 47 -6.649 -1.217 9.214 375 H GLN 48 H GLN 48 -2.067 4.033 9.515 376 HA GLN 48 HA GLN 48 -1.565 2.601 12.056 377 1HB GLN 48 2HB GLN 48 -0.774 4.914 11.698 378 2HB GLN 48 3HB GLN 48 -2.432 5.453 11.536 379 1HG GLN 48 2HG GLN 48 -3.003 4.773 13.803 380 2HG GLN 48 3HG GLN 48 -1.523 3.826 13.976 381 1HE2 GLN 48 2HE2 GLN 48 0.550 4.943 14.198 382 2HE2 GLN 48 1HE2 GLN 48 0.542 6.564 14.867 383 HA PRO 49 HA PRO 49 -5.906 1.496 11.364 384 1HB PRO 49 2HB PRO 49 -6.258 -0.373 13.308 385 2HB PRO 49 3HB PRO 49 -5.229 -0.658 11.876 386 1HG PRO 49 2HG PRO 49 -4.329 0.273 14.617 387 2HG PRO 49 3HG PRO 49 -3.683 -1.095 13.665 388 1HD PRO 49 2HD PRO 49 -2.493 1.327 13.627 389 2HD PRO 49 3HD PRO 49 -2.621 0.380 12.124 390 H HIS 50 H HIS 50 -6.255 3.696 11.885 391 HA HIS 50 HA HIS 50 -8.463 4.056 13.589 392 1HB HIS 50 2HB HIS 50 -5.816 4.923 14.759 393 2HB HIS 50 3HB HIS 50 -7.159 6.057 14.867 394 HD1 HIS 50 1HD HIS 50 -5.830 3.181 16.735 395 HD2 HIS 50 2HD HIS 50 -9.553 4.984 15.984 396 HE1 HIS 50 1HE HIS 50 -7.399 2.432 18.611 397 H LEU 51 H LEU 51 -5.643 5.585 11.961 398 HA LEU 51 HA LEU 51 -7.128 8.010 11.395 399 1HB LEU 51 2HB LEU 51 -4.526 6.996 10.396 400 2HB LEU 51 3HB LEU 51 -5.151 8.615 10.067 401 HG LEU 51 HG LEU 51 -4.657 7.537 12.884 402 1HD1 LEU 51 1HD1 LEU 51 -2.514 7.768 11.651 403 2HD1 LEU 51 2HD1 LEU 51 -2.933 9.451 11.251 404 3HD1 LEU 51 3HD1 LEU 51 -2.662 8.973 12.936 405 1HD2 LEU 51 1HD2 LEU 51 -5.257 10.347 11.860 406 2HD2 LEU 51 2HD2 LEU 51 -6.303 9.356 12.902 407 3HD2 LEU 51 3HD2 LEU 51 -4.765 9.954 13.519 408 H ILE 52 H ILE 52 -6.037 5.216 9.407 409 HA ILE 52 HA ILE 52 -8.051 5.850 7.381 410 HB ILE 52 HB ILE 52 -5.410 6.587 7.151 411 1HG1 ILE 52 2HG1 ILE 52 -5.921 6.288 4.578 412 2HG1 ILE 52 3HG1 ILE 52 -7.545 5.980 5.247 413 1HG2 ILE 52 1HG2 ILE 52 -4.151 5.155 5.759 414 2HG2 ILE 52 2HG2 ILE 52 -4.592 4.284 7.222 415 3HG2 ILE 52 3HG2 ILE 52 -5.436 3.930 5.682 416 1HD1 ILE 52 1HD1 ILE 52 -5.749 8.422 5.671 417 2HD1 ILE 52 2HD1 ILE 52 -7.241 8.381 4.717 418 3HD1 ILE 52 3HD1 ILE 52 -7.314 8.197 6.485 419 H SER 53 H SER 53 -7.940 3.766 5.725 420 HA SER 53 HA SER 53 -7.734 1.289 7.348 421 1HB SER 53 2HB SER 53 -10.067 0.736 6.729 422 2HB SER 53 3HB SER 53 -9.986 2.222 7.693 423 HG SER 53 HG SER 53 -11.292 2.634 5.921 424 H VAL 54 H VAL 54 -7.981 -0.646 6.085 425 HA VAL 54 HA VAL 54 -6.444 -0.988 3.837 426 HB VAL 54 HB VAL 54 -8.863 -2.483 4.871 427 1HG1 VAL 54 1HG1 VAL 54 -7.153 -3.202 2.454 428 2HG1 VAL 54 2HG1 VAL 54 -8.174 -4.368 3.323 429 3HG1 VAL 54 3HG1 VAL 54 -8.922 -3.009 2.490 430 1HG2 VAL 54 1HG2 VAL 54 -6.631 -2.590 6.101 431 2HG2 VAL 54 2HG2 VAL 54 -7.195 -4.165 5.492 432 3HG2 VAL 54 3HG2 VAL 54 -5.959 -3.276 4.601 433 H GLU 55 H GLU 55 -9.941 -0.188 3.906 434 HA GLU 55 HA GLU 55 -10.273 -0.696 1.146 435 1HB GLU 55 2HB GLU 55 -12.039 -0.456 3.045 436 2HB GLU 55 3HB GLU 55 -12.023 1.249 2.574 437 1HG GLU 55 2HG GLU 55 -12.346 -0.783 0.378 438 2HG GLU 55 3HG GLU 55 -13.678 -0.622 1.516 439 H GLU 56 H GLU 56 -9.814 2.489 2.787 440 HA GLU 56 HA GLU 56 -9.510 4.101 0.583 441 1HB GLU 56 2HB GLU 56 -8.844 4.198 3.436 442 2HB GLU 56 3HB GLU 56 -7.540 4.913 2.487 443 1HG GLU 56 2HG GLU 56 -10.454 5.694 2.109 444 2HG GLU 56 3HG GLU 56 -9.322 6.533 3.182 445 H MET 57 H MET 57 -6.792 2.240 2.249 446 HA MET 57 HA MET 57 -4.777 2.804 0.527 447 1HB MET 57 2HB MET 57 -5.309 0.126 1.644 448 2HB MET 57 3HB MET 57 -3.814 0.799 1.038 449 1HG MET 57 2HG MET 57 -5.299 1.737 3.465 450 2HG MET 57 3HG MET 57 -3.822 0.805 3.411 451 1HE MET 57 1HE MET 57 -4.874 4.533 1.811 452 2HE MET 57 2HE MET 57 -5.530 4.173 3.425 453 3HE MET 57 3HE MET 57 -4.195 5.330 3.238 454 H LYS 58 H LYS 58 -7.136 0.100 0.059 455 HA LYS 58 HA LYS 58 -6.113 -0.530 -2.560 456 1HB LYS 58 2HB LYS 58 -7.052 -2.247 -1.813 457 2HB LYS 58 3HB LYS 58 -8.433 -1.457 -0.927 458 1HG LYS 58 2HG LYS 58 -9.444 -1.231 -3.358 459 2HG LYS 58 3HG LYS 58 -8.016 -2.094 -3.906 460 1HD LYS 58 2HD LYS 58 -9.476 -3.808 -3.809 461 2HD LYS 58 3HD LYS 58 -8.764 -3.967 -2.206 462 1HE LYS 58 2HE LYS 58 -11.412 -2.632 -2.999 463 2HE LYS 58 3HE LYS 58 -11.235 -4.179 -2.161 464 1HZ LYS 58 1HZ LYS 58 -10.502 -1.535 -1.089 465 2HZ LYS 58 2HZ LYS 58 -11.786 -2.454 -0.631 466 3HZ LYS 58 3HZ LYS 58 -10.254 -2.963 -0.307 467 H LYS 59 H LYS 59 -9.193 1.178 -1.708 468 HA LYS 59 HA LYS 59 -10.176 1.695 -4.180 469 1HB LYS 59 2HB LYS 59 -10.759 2.415 -1.579 470 2HB LYS 59 3HB LYS 59 -10.148 3.923 -2.167 471 1HG LYS 59 2HG LYS 59 -12.486 3.885 -2.374 472 2HG LYS 59 3HG LYS 59 -11.890 3.733 -4.047 473 1HD LYS 59 2HD LYS 59 -12.579 1.434 -4.173 474 2HD LYS 59 3HD LYS 59 -12.392 1.218 -2.433 475 1HE LYS 59 2HE LYS 59 -14.709 1.091 -2.808 476 2HE LYS 59 3HE LYS 59 -14.378 2.612 -1.977 477 1HZ LYS 59 1HZ LYS 59 -14.891 2.317 -4.857 478 2HZ LYS 59 2HZ LYS 59 -15.925 2.919 -3.724 479 3HZ LYS 59 3HZ LYS 59 -14.542 3.737 -4.086 480 H GLN 60 H GLN 60 -7.752 3.633 -2.332 481 HA GLN 60 HA GLN 60 -7.339 5.574 -4.408 482 1HB GLN 60 2HB GLN 60 -5.575 4.582 -2.198 483 2HB GLN 60 3HB GLN 60 -5.218 6.028 -3.158 484 1HG GLN 60 2HG GLN 60 -7.858 5.732 -1.636 485 2HG GLN 60 3HG GLN 60 -6.408 6.380 -0.898 486 1HE2 GLN 60 2HE2 GLN 60 -8.798 7.803 -1.080 487 2HE2 GLN 60 1HE2 GLN 60 -8.555 9.172 -2.174 488 H ILE 61 H ILE 61 -5.565 2.500 -3.663 489 HA ILE 61 HA ILE 61 -3.672 2.876 -5.828 490 HB ILE 61 HB ILE 61 -4.322 0.500 -4.073 491 1HG1 ILE 61 2HG1 ILE 61 -2.105 2.603 -4.234 492 2HG1 ILE 61 3HG1 ILE 61 -3.313 2.500 -2.988 493 1HG2 ILE 61 1HG2 ILE 61 -2.148 0.852 -6.185 494 2HG2 ILE 61 2HG2 ILE 61 -2.238 -0.498 -5.028 495 3HG2 ILE 61 3HG2 ILE 61 -3.475 -0.322 -6.257 496 1HD1 ILE 61 1HD1 ILE 61 -1.065 0.532 -3.455 497 2HD1 ILE 61 2HD1 ILE 61 -1.324 1.621 -2.085 498 3HD1 ILE 61 3HD1 ILE 61 -2.427 0.252 -2.331 499 H GLU 62 H GLU 62 -6.321 0.356 -5.497 500 HA GLU 62 HA GLU 62 -6.352 -0.459 -8.128 501 1HB GLU 62 2HB GLU 62 -7.989 -0.684 -5.743 502 2HB GLU 62 3HB GLU 62 -9.050 -0.123 -6.999 503 1HG GLU 62 2HG GLU 62 -8.283 -2.043 -8.399 504 2HG GLU 62 3HG GLU 62 -7.224 -2.571 -7.086 505 H ALA 63 H ALA 63 -7.860 2.594 -6.845 506 HA ALA 63 HA ALA 63 -9.332 3.222 -9.157 507 1HB ALA 63 1HB ALA 63 -8.952 5.622 -8.477 508 2HB ALA 63 2HB ALA 63 -9.594 4.578 -7.206 509 3HB ALA 63 3HB ALA 63 -7.859 5.018 -7.214 510 H MET 64 H MET 64 -5.790 3.442 -8.683 511 HA MET 64 HA MET 64 -5.190 5.086 -10.934 512 1HB MET 64 2HB MET 64 -3.638 2.780 -9.737 513 2HB MET 64 3HB MET 64 -3.031 4.015 -10.840 514 1HG MET 64 2HG MET 64 -3.964 4.451 -7.982 515 2HG MET 64 3HG MET 64 -2.324 4.487 -8.619 516 1HE MET 64 1HE MET 64 -1.668 6.730 -7.527 517 2HE MET 64 2HE MET 64 -2.722 8.159 -7.592 518 3HE MET 64 3HE MET 64 -3.267 6.696 -6.735 519 H GLY 65 H GLY 65 -5.822 1.590 -10.514 520 1HA GLY 65 1HA GLY 65 -7.141 0.745 -12.511 521 2HA GLY 65 2HA GLY 65 -5.689 1.105 -13.463 522 H PHE 66 H PHE 66 -4.153 0.348 -10.812 523 HA PHE 66 HA PHE 66 -3.421 -2.209 -11.860 524 1HB PHE 66 2HB PHE 66 -2.633 -0.789 -9.321 525 2HB PHE 66 3HB PHE 66 -1.729 -2.123 -10.069 526 HD1 PHE 66 1HD PHE 66 -1.035 -1.626 -12.664 527 HD2 PHE 66 2HD PHE 66 -1.964 1.360 -9.710 528 HE1 PHE 66 1HE PHE 66 0.059 0.116 -14.064 529 HE2 PHE 66 2HE PHE 66 -0.834 3.090 -11.090 530 HZ PHE 66 HZ PHE 66 0.056 2.482 -13.317 531 HA PRO 67 HA PRO 67 -6.275 -4.336 -8.941 532 1HB PRO 67 2HB PRO 67 -5.713 -6.928 -9.595 533 2HB PRO 67 3HB PRO 67 -6.708 -5.873 -10.639 534 1HG PRO 67 2HG PRO 67 -3.759 -6.475 -10.920 535 2HG PRO 67 3HG PRO 67 -5.016 -6.550 -12.190 536 1HD PRO 67 2HD PRO 67 -3.392 -4.394 -11.855 537 2HD PRO 67 3HD PRO 67 -5.099 -4.179 -12.355 538 H ALA 68 H ALA 68 -5.815 -5.204 -6.849 539 HA ALA 68 HA ALA 68 -3.073 -6.099 -6.353 540 1HB ALA 68 1HB ALA 68 -3.084 -3.636 -5.880 541 2HB ALA 68 2HB ALA 68 -4.351 -3.912 -4.668 542 3HB ALA 68 3HB ALA 68 -2.745 -4.660 -4.458 543 H PHE 69 H PHE 69 -2.901 -7.626 -4.824 544 HA PHE 69 HA PHE 69 -5.409 -8.565 -3.443 545 1HB PHE 69 2HB PHE 69 -2.928 -9.963 -4.261 546 2HB PHE 69 3HB PHE 69 -4.005 -10.619 -3.042 547 HD1 PHE 69 1HD PHE 69 -6.411 -11.138 -3.613 548 HD2 PHE 69 2HD PHE 69 -3.530 -10.057 -6.643 549 HE1 PHE 69 1HE PHE 69 -7.866 -12.127 -5.357 550 HE2 PHE 69 2HE PHE 69 -4.996 -11.040 -8.377 551 HZ PHE 69 HZ PHE 69 -7.161 -12.084 -7.739 552 H VAL 70 H VAL 70 -5.222 -6.840 -1.980 553 HA VAL 70 HA VAL 70 -3.074 -6.615 -0.059 554 HB VAL 70 HB VAL 70 -4.147 -4.694 -0.440 555 1HG1 VAL 70 1HG1 VAL 70 -6.216 -5.319 -1.394 556 2HG1 VAL 70 2HG1 VAL 70 -6.762 -6.079 0.122 557 3HG1 VAL 70 3HG1 VAL 70 -6.553 -4.312 0.020 558 1HG2 VAL 70 1HG2 VAL 70 -3.516 -5.178 1.888 559 2HG2 VAL 70 2HG2 VAL 70 -4.818 -3.983 1.705 560 3HG2 VAL 70 3HG2 VAL 70 -5.207 -5.638 2.226 561 H LYS 71 H LYS 71 -2.562 -8.446 1.165 562 HA LYS 71 HA LYS 71 -4.652 -9.506 2.885 563 1HB LYS 71 2HB LYS 71 -4.507 -11.746 2.179 564 2HB LYS 71 3HB LYS 71 -5.203 -10.682 0.949 565 1HG LYS 71 2HG LYS 71 -2.895 -10.543 -0.049 566 2HG LYS 71 3HG LYS 71 -2.423 -11.835 1.058 567 1HD LYS 71 2HD LYS 71 -4.387 -13.209 0.139 568 2HD LYS 71 3HD LYS 71 -4.604 -11.948 -1.088 569 1HE LYS 71 2HE LYS 71 -2.191 -12.385 -1.817 570 2HE LYS 71 3HE LYS 71 -2.159 -13.742 -0.677 571 1HZ LYS 71 1HZ LYS 71 -3.936 -13.482 -3.021 572 2HZ LYS 71 2HZ LYS 71 -2.669 -14.512 -2.861 573 3HZ LYS 71 3HZ LYS 71 -4.004 -14.711 -1.928 574 H LYS 72 H LYS 72 -2.748 -8.166 4.013 575 HA LYS 72 HA LYS 72 -1.922 -10.220 5.836 576 1HB LYS 72 2HB LYS 72 0.158 -8.482 4.455 577 2HB LYS 72 3HB LYS 72 0.351 -8.959 6.135 578 1HG LYS 72 2HG LYS 72 0.113 -11.389 5.377 579 2HG LYS 72 3HG LYS 72 0.356 -10.785 3.723 580 1HD LYS 72 2HD LYS 72 2.480 -9.737 4.376 581 2HD LYS 72 3HD LYS 72 2.243 -10.144 6.062 582 1HE LYS 72 2HE LYS 72 2.504 -12.269 3.887 583 2HE LYS 72 3HE LYS 72 3.897 -11.517 4.687 584 1HZ LYS 72 1HZ LYS 72 1.804 -12.949 6.162 585 2HZ LYS 72 2HZ LYS 72 3.316 -13.520 5.806 586 3HZ LYS 72 3HZ LYS 72 3.149 -12.207 6.765 587 H ILE 73 H ILE 73 -1.672 -9.258 7.924 588 HA ILE 73 HA ILE 73 -1.680 -6.315 8.123 589 HB ILE 73 HB ILE 73 -3.528 -8.121 9.770 590 1HG1 ILE 73 2HG1 ILE 73 -5.155 -6.194 8.843 591 2HG1 ILE 73 3HG1 ILE 73 -3.989 -6.138 7.530 592 1HG2 ILE 73 1HG2 ILE 73 -2.477 -6.319 11.147 593 2HG2 ILE 73 2HG2 ILE 73 -3.013 -5.120 9.952 594 3HG2 ILE 73 3HG2 ILE 73 -4.197 -6.043 10.901 595 1HD1 ILE 73 1HD1 ILE 73 -5.616 -8.551 8.494 596 2HD1 ILE 73 2HD1 ILE 73 -5.900 -7.609 7.019 597 3HD1 ILE 73 3HD1 ILE 73 -4.462 -8.626 7.152 598 H GLU 74 H GLU 74 0.580 -6.770 8.271 599 HA GLU 74 HA GLU 74 1.473 -8.574 10.480 600 1HB GLU 74 2HB GLU 74 2.377 -8.223 7.862 601 2HB GLU 74 3HB GLU 74 3.554 -7.301 8.802 602 1HG GLU 74 2HG GLU 74 4.178 -9.257 10.057 603 2HG GLU 74 3HG GLU 74 2.759 -10.155 9.497 604 H GLY 75 H GLY 75 1.752 -7.545 12.471 605 1HA GLY 75 1HA GLY 75 3.084 -5.057 12.839 606 2HA GLY 75 2HA GLY 75 1.321 -4.797 12.758 607 H ARG 76 H ARG 76 1.544 -4.200 15.044 608 HA ARG 76 HA ARG 76 0.006 -5.352 16.610 609 1HB ARG 76 2HB ARG 76 1.063 -7.562 16.581 610 2HB ARG 76 3HB ARG 76 2.565 -6.891 17.246 611 1HG ARG 76 2HG ARG 76 1.226 -8.200 18.811 612 2HG ARG 76 3HG ARG 76 1.369 -6.542 19.395 613 1HD ARG 76 2HD ARG 76 -0.990 -7.508 17.725 614 2HD ARG 76 3HD ARG 76 -0.953 -7.720 19.492 615 HE ARG 76 HE ARG 76 -0.317 -5.037 19.024 616 1HH1 ARG 76 1HH2 ARG 76 -3.007 -7.118 18.126 617 2HH1 ARG 76 2HH2 ARG 76 -4.233 -5.892 18.222 618 1HH2 ARG 76 1HH1 ARG 76 -1.940 -3.418 19.381 619 2HH2 ARG 76 2HH1 ARG 76 -3.610 -3.722 18.991 Start of MODEL 8 1 1H GLY 1 1H GLY 1 0.940 3.899 15.841 2 2H GLY 1 2H GLY 1 0.783 3.616 17.461 3 3H GLY 1 3H GLY 1 2.265 3.511 16.737 4 1HA GLY 1 1HA GLY 1 1.389 1.350 17.235 5 2HA GLY 1 2HA GLY 1 0.023 1.700 16.162 6 H GLU 2 H GLU 2 0.466 2.005 13.883 7 HA GLU 2 HA GLU 2 1.505 1.863 11.914 8 1HB GLU 2 2HB GLU 2 3.625 2.802 12.917 9 2HB GLU 2 3HB GLU 2 4.158 1.141 13.239 10 1HG GLU 2 2HG GLU 2 4.078 0.565 10.923 11 2HG GLU 2 3HG GLU 2 3.341 2.127 10.505 12 H VAL 3 H VAL 3 0.468 0.103 10.943 13 HA VAL 3 HA VAL 3 1.485 -2.601 11.587 14 HB VAL 3 HB VAL 3 -0.588 -3.452 11.127 15 1HG1 VAL 3 1HG1 VAL 3 -0.121 -2.681 13.460 16 2HG1 VAL 3 2HG1 VAL 3 -0.982 -1.168 13.104 17 3HG1 VAL 3 3HG1 VAL 3 -1.850 -2.714 13.075 18 1HG2 VAL 3 1HG2 VAL 3 -1.477 -0.659 10.539 19 2HG2 VAL 3 2HG2 VAL 3 -1.481 -2.063 9.472 20 3HG2 VAL 3 3HG2 VAL 3 -2.618 -1.998 10.830 21 H VAL 4 H VAL 4 2.218 -3.795 9.852 22 HA VAL 4 HA VAL 4 2.416 -2.490 7.231 23 HB VAL 4 HB VAL 4 4.251 -3.795 8.800 24 1HG1 VAL 4 1HG1 VAL 4 3.362 -5.731 6.650 25 2HG1 VAL 4 2HG1 VAL 4 4.781 -5.894 7.712 26 3HG1 VAL 4 3HG1 VAL 4 3.150 -5.957 8.409 27 1HG2 VAL 4 1HG2 VAL 4 5.566 -3.979 6.659 28 2HG2 VAL 4 2HG2 VAL 4 4.104 -3.418 5.806 29 3HG2 VAL 4 3HG2 VAL 4 4.895 -2.398 7.046 30 H LEU 5 H LEU 5 1.195 -3.133 5.482 31 HA LEU 5 HA LEU 5 0.050 -5.868 5.630 32 1HB LEU 5 2HB LEU 5 -1.196 -3.382 4.364 33 2HB LEU 5 3HB LEU 5 -1.674 -5.046 4.061 34 HG LEU 5 HG LEU 5 -1.965 -5.248 6.666 35 1HD1 LEU 5 1HD1 LEU 5 -2.865 -2.928 7.475 36 2HD1 LEU 5 2HD1 LEU 5 -1.137 -3.276 7.555 37 3HD1 LEU 5 3HD1 LEU 5 -1.753 -2.280 6.236 38 1HD2 LEU 5 1HD2 LEU 5 -3.803 -3.742 4.795 39 2HD2 LEU 5 2HD2 LEU 5 -3.729 -5.496 5.068 40 3HD2 LEU 5 3HD2 LEU 5 -4.312 -4.435 6.365 41 H LYS 6 H LYS 6 -0.039 -6.971 3.665 42 HA LYS 6 HA LYS 6 2.008 -6.084 1.704 43 1HB LYS 6 2HB LYS 6 2.351 -8.098 3.499 44 2HB LYS 6 3HB LYS 6 1.456 -8.965 2.272 45 1HG LYS 6 2HG LYS 6 3.546 -9.356 1.472 46 2HG LYS 6 3HG LYS 6 3.294 -7.815 0.642 47 1HD LYS 6 2HD LYS 6 4.404 -6.620 2.512 48 2HD LYS 6 3HD LYS 6 4.549 -8.143 3.412 49 1HE LYS 6 2HE LYS 6 5.850 -9.072 1.374 50 2HE LYS 6 3HE LYS 6 5.952 -7.397 0.807 51 1HZ LYS 6 1HZ LYS 6 6.995 -8.440 3.361 52 2HZ LYS 6 2HZ LYS 6 7.873 -8.094 2.017 53 3HZ LYS 6 3HZ LYS 6 7.126 -6.878 2.841 54 H MET 7 H MET 7 1.063 -5.854 -0.256 55 HA MET 7 HA MET 7 -1.371 -7.373 -0.930 56 1HB MET 7 2HB MET 7 -1.744 -5.229 -2.389 57 2HB MET 7 3HB MET 7 -2.246 -5.263 -0.693 58 1HG MET 7 2HG MET 7 -0.473 -3.987 0.060 59 2HG MET 7 3HG MET 7 0.370 -4.116 -1.491 60 1HE MET 7 1HE MET 7 -3.462 -3.046 -0.670 61 2HE MET 7 2HE MET 7 -2.379 -2.429 0.604 62 3HE MET 7 3HE MET 7 -3.158 -1.312 -0.541 63 H LYS 8 H LYS 8 -1.226 -8.481 -2.797 64 HA LYS 8 HA LYS 8 1.316 -8.221 -4.338 65 1HB LYS 8 2HB LYS 8 -0.864 -10.324 -4.482 66 2HB LYS 8 3HB LYS 8 0.505 -10.170 -5.598 67 1HG LYS 8 2HG LYS 8 1.678 -11.393 -4.144 68 2HG LYS 8 3HG LYS 8 1.846 -9.915 -3.242 69 1HD LYS 8 2HD LYS 8 1.069 -11.015 -1.516 70 2HD LYS 8 3HD LYS 8 -0.509 -10.657 -2.210 71 1HE LYS 8 2HE LYS 8 1.188 -13.204 -2.483 72 2HE LYS 8 3HE LYS 8 -0.373 -13.080 -1.666 73 1HZ LYS 8 1HZ LYS 8 0.092 -12.737 -4.568 74 2HZ LYS 8 2HZ LYS 8 -0.532 -14.083 -3.872 75 3HZ LYS 8 3HZ LYS 8 -1.374 -12.663 -3.843 76 H VAL 9 H VAL 9 1.371 -6.972 -6.162 77 HA VAL 9 HA VAL 9 -1.199 -6.289 -7.435 78 HB VAL 9 HB VAL 9 -0.775 -4.655 -5.622 79 1HG1 VAL 9 1HG1 VAL 9 0.966 -3.024 -5.772 80 2HG1 VAL 9 2HG1 VAL 9 1.744 -4.619 -5.741 81 3HG1 VAL 9 3HG1 VAL 9 1.600 -3.712 -7.272 82 1HG2 VAL 9 1HG2 VAL 9 -0.569 -3.563 -8.437 83 2HG2 VAL 9 2HG2 VAL 9 -2.067 -4.034 -7.607 84 3HG2 VAL 9 3HG2 VAL 9 -1.131 -2.655 -7.013 85 H GLU 10 H GLU 10 -1.078 -6.389 -9.534 86 HA GLU 10 HA GLU 10 1.506 -7.027 -10.765 87 1HB GLU 10 2HB GLU 10 -1.313 -6.958 -11.889 88 2HB GLU 10 3HB GLU 10 0.106 -7.660 -12.682 89 1HG GLU 10 2HG GLU 10 -0.904 -8.669 -9.967 90 2HG GLU 10 3HG GLU 10 -1.472 -9.283 -11.515 91 H GLY 11 H GLY 11 2.356 -5.874 -12.591 92 1HA GLY 11 1HA GLY 11 2.164 -4.322 -14.357 93 2HA GLY 11 2HA GLY 11 1.002 -3.357 -13.449 94 H MET 12 H MET 12 2.388 -3.043 -10.997 95 HA MET 12 HA MET 12 4.016 -0.802 -11.739 96 1HB MET 12 2HB MET 12 3.492 -2.113 -9.062 97 2HB MET 12 3HB MET 12 4.444 -0.636 -9.340 98 1HG MET 12 2HG MET 12 2.603 0.646 -9.551 99 2HG MET 12 3HG MET 12 1.874 -0.446 -10.723 100 1HE MET 12 1HE MET 12 2.386 0.371 -6.973 101 2HE MET 12 2HE MET 12 1.220 -0.704 -6.170 102 3HE MET 12 3HE MET 12 2.692 -1.384 -6.902 103 H THR 13 H THR 13 5.496 -1.900 -13.046 104 HA THR 13 HA THR 13 7.928 -2.909 -11.644 105 HB THR 13 HB THR 13 6.693 -3.772 -14.261 106 HG1 THR 13 1HG THR 13 6.737 -4.813 -11.631 107 1HG2 THR 13 1HG2 THR 13 9.089 -4.865 -12.728 108 2HG2 THR 13 2HG2 THR 13 8.254 -5.714 -14.048 109 3HG2 THR 13 3HG2 THR 13 9.083 -4.183 -14.372 110 H CYS 14 HN CYS 14 6.769 -0.396 -13.515 111 HA CYS 14 HA CYS 14 9.084 0.098 -15.192 112 1HB CYS 14 2HB CYS 14 7.802 2.189 -15.699 113 2HB CYS 14 3HB CYS 14 6.874 0.702 -15.948 114 H HIS 15 H HIS 15 8.309 0.880 -11.921 115 HA HIS 15 HA HIS 15 9.522 1.884 -10.308 116 1HB HIS 15 2HB HIS 15 11.308 3.339 -12.250 117 2HB HIS 15 3HB HIS 15 11.521 3.087 -10.526 118 HD1 HIS 15 1HD HIS 15 11.745 1.212 -13.819 119 HD2 HIS 15 2HD HIS 15 12.638 0.756 -9.741 120 HE1 HIS 15 1HE HIS 15 13.242 -0.886 -13.618 121 H SER 16 H SER 16 8.453 3.761 -13.141 122 HA SER 16 HA SER 16 8.067 6.229 -11.786 123 1HB SER 16 2HB SER 16 6.463 5.031 -14.099 124 2HB SER 16 3HB SER 16 6.489 6.735 -13.599 125 HG SER 16 HG SER 16 7.983 6.293 -15.299 126 H CYS 17 HN CYS 17 5.515 3.815 -12.586 127 HA CYS 17 HA CYS 17 3.496 4.824 -11.060 128 1HB CYS 17 2HB CYS 17 4.046 1.918 -11.740 129 2HB CYS 17 3HB CYS 17 2.529 2.571 -11.112 130 H THR 18 H THR 18 5.961 2.430 -9.933 131 HA THR 18 HA THR 18 4.951 1.897 -7.381 132 HB THR 18 HB THR 18 7.315 1.490 -6.731 133 HG1 THR 18 1HG THR 18 8.945 2.044 -8.036 134 1HG2 THR 18 1HG2 THR 18 6.816 0.495 -9.583 135 2HG2 THR 18 2HG2 THR 18 7.939 -0.192 -8.396 136 3HG2 THR 18 3HG2 THR 18 6.204 -0.280 -8.114 137 H SER 19 H SER 19 7.414 4.327 -8.198 138 HA SER 19 HA SER 19 7.447 5.672 -5.716 139 1HB SER 19 2HB SER 19 9.169 5.802 -7.521 140 2HB SER 19 3HB SER 19 8.070 6.797 -8.494 141 HG SER 19 HG SER 19 9.611 7.997 -7.205 142 H THR 20 H THR 20 5.577 6.501 -8.700 143 HA THR 20 HA THR 20 4.291 8.812 -7.802 144 HB THR 20 HB THR 20 3.347 6.568 -9.622 145 HG1 THR 20 1HG THR 20 4.171 7.884 -11.185 146 1HG2 THR 20 1HG2 THR 20 2.160 9.345 -9.246 147 2HG2 THR 20 2HG2 THR 20 1.803 8.262 -10.609 148 3HG2 THR 20 3HG2 THR 20 1.343 7.788 -8.971 149 H ILE 21 H ILE 21 3.241 5.357 -7.349 150 HA ILE 21 HA ILE 21 0.854 6.062 -5.926 151 HB ILE 21 HB ILE 21 2.470 3.612 -6.646 152 1HG1 ILE 21 2HG1 ILE 21 -0.524 3.886 -6.761 153 2HG1 ILE 21 3HG1 ILE 21 0.446 4.880 -7.849 154 1HG2 ILE 21 1HG2 ILE 21 0.370 3.601 -4.517 155 2HG2 ILE 21 2HG2 ILE 21 0.947 2.169 -5.414 156 3HG2 ILE 21 3HG2 ILE 21 2.086 3.082 -4.407 157 1HD1 ILE 21 1HD1 ILE 21 0.663 1.867 -7.697 158 2HD1 ILE 21 2HD1 ILE 21 -0.241 2.779 -8.917 159 3HD1 ILE 21 3HD1 ILE 21 1.514 2.942 -8.830 160 H GLU 22 H GLU 22 4.124 4.986 -4.909 161 HA GLU 22 HA GLU 22 3.838 5.080 -2.153 162 1HB GLU 22 2HB GLU 22 6.028 5.282 -4.103 163 2HB GLU 22 3HB GLU 22 6.407 6.190 -2.675 164 1HG GLU 22 2HG GLU 22 5.971 4.180 -1.289 165 2HG GLU 22 3HG GLU 22 5.421 3.301 -2.726 166 H GLY 23 H GLY 23 4.599 7.871 -4.281 167 1HA GLY 23 1HA GLY 23 4.447 9.906 -2.345 168 2HA GLY 23 2HA GLY 23 4.137 10.094 -4.076 169 H LYS 24 H LYS 24 1.856 8.909 -4.681 170 HA LYS 24 HA LYS 24 -0.001 10.791 -3.813 171 1HB LYS 24 2HB LYS 24 0.075 9.183 -5.900 172 2HB LYS 24 3HB LYS 24 -0.889 8.093 -4.922 173 1HG LYS 24 2HG LYS 24 -1.628 11.012 -5.431 174 2HG LYS 24 3HG LYS 24 -2.092 9.710 -6.527 175 1HD LYS 24 2HD LYS 24 -3.387 8.590 -4.756 176 2HD LYS 24 3HD LYS 24 -2.884 9.802 -3.585 177 1HE LYS 24 2HE LYS 24 -4.656 11.026 -4.053 178 2HE LYS 24 3HE LYS 24 -3.957 11.381 -5.633 179 1HZ LYS 24 1HZ LYS 24 -5.797 9.156 -4.990 180 2HZ LYS 24 2HZ LYS 24 -6.166 10.518 -5.817 181 3HZ LYS 24 3HZ LYS 24 -5.134 9.421 -6.477 182 H ILE 25 H ILE 25 0.350 7.407 -2.879 183 HA ILE 25 HA ILE 25 -1.865 7.462 -1.016 184 HB ILE 25 HB ILE 25 0.365 5.484 -1.380 185 1HG1 ILE 25 2HG1 ILE 25 -0.940 5.731 -3.397 186 2HG1 ILE 25 3HG1 ILE 25 -1.063 4.139 -2.640 187 1HG2 ILE 25 1HG2 ILE 25 -1.188 3.907 -0.203 188 2HG2 ILE 25 2HG2 ILE 25 -0.519 5.176 0.836 189 3HG2 ILE 25 3HG2 ILE 25 -2.181 5.315 0.239 190 1HD1 ILE 25 1HD1 ILE 25 -3.086 6.382 -2.446 191 2HD1 ILE 25 2HD1 ILE 25 -3.213 4.926 -3.458 192 3HD1 ILE 25 3HD1 ILE 25 -3.225 4.775 -1.682 193 H GLY 26 H GLY 26 1.722 7.765 -0.716 194 1HA GLY 26 1HA GLY 26 2.025 7.914 2.035 195 2HA GLY 26 2HA GLY 26 2.950 8.848 0.847 196 H LYS 27 H LYS 27 0.692 10.416 -0.183 197 HA LYS 27 HA LYS 27 0.711 12.518 1.733 198 1HB LYS 27 2HB LYS 27 0.855 12.894 -0.618 199 2HB LYS 27 3HB LYS 27 -0.677 12.076 -0.933 200 1HG LYS 27 2HG LYS 27 -1.951 13.752 0.028 201 2HG LYS 27 3HG LYS 27 -0.534 14.516 0.807 202 1HD LYS 27 2HD LYS 27 0.330 15.274 -1.334 203 2HD LYS 27 3HD LYS 27 -0.790 14.245 -2.225 204 1HE LYS 27 2HE LYS 27 -1.450 16.634 -2.316 205 2HE LYS 27 3HE LYS 27 -2.701 15.592 -1.627 206 1HZ LYS 27 1HZ LYS 27 -0.846 17.272 -0.065 207 2HZ LYS 27 2HZ LYS 27 -2.425 17.610 -0.373 208 3HZ LYS 27 3HZ LYS 27 -2.035 16.312 0.556 209 H LEU 28 H LEU 28 -1.338 9.695 1.779 210 HA LEU 28 HA LEU 28 -3.750 11.067 2.556 211 1HB LEU 28 2HB LEU 28 -2.859 8.247 3.126 212 2HB LEU 28 3HB LEU 28 -4.445 8.932 3.355 213 HG LEU 28 HG LEU 28 -3.253 7.912 0.870 214 1HD1 LEU 28 1HD1 LEU 28 -5.502 7.204 0.497 215 2HD1 LEU 28 2HD1 LEU 28 -5.203 6.989 2.223 216 3HD1 LEU 28 3HD1 LEU 28 -6.147 8.377 1.667 217 1HD2 LEU 28 1HD2 LEU 28 -3.375 10.245 0.107 218 2HD2 LEU 28 2HD2 LEU 28 -4.664 9.290 -0.618 219 3HD2 LEU 28 3HD2 LEU 28 -5.039 10.380 0.729 220 H GLN 29 H GLN 29 -4.586 11.391 4.570 221 HA GLN 29 HA GLN 29 -2.625 11.939 6.568 222 1HB GLN 29 2HB GLN 29 -4.407 13.121 7.676 223 2HB GLN 29 3HB GLN 29 -4.359 13.480 5.940 224 1HG GLN 29 2HG GLN 29 -6.119 11.291 6.112 225 2HG GLN 29 3HG GLN 29 -6.486 12.184 7.580 226 1HE2 GLN 29 2HE2 GLN 29 -8.315 11.752 5.396 227 2HE2 GLN 29 1HE2 GLN 29 -8.668 13.327 4.709 228 H GLY 30 H GLY 30 -2.271 9.555 6.660 229 1HA GLY 30 1HA GLY 30 -2.778 8.615 9.367 230 2HA GLY 30 2HA GLY 30 -3.961 7.917 8.340 231 H VAL 31 H VAL 31 -0.690 8.462 7.094 232 HA VAL 31 HA VAL 31 -0.243 5.541 7.147 233 HB VAL 31 HB VAL 31 0.463 7.721 5.107 234 1HG1 VAL 31 1HG1 VAL 31 1.293 4.794 5.058 235 2HG1 VAL 31 2HG1 VAL 31 1.456 5.934 3.710 236 3HG1 VAL 31 3HG1 VAL 31 2.375 6.204 5.190 237 1HG2 VAL 31 1HG2 VAL 31 -1.252 5.213 4.860 238 2HG2 VAL 31 2HG2 VAL 31 -1.858 6.881 4.943 239 3HG2 VAL 31 3HG2 VAL 31 -0.890 6.363 3.555 240 H GLN 32 H GLN 32 1.914 4.873 7.495 241 HA GLN 32 HA GLN 32 3.649 6.871 8.920 242 1HB GLN 32 2HB GLN 32 3.211 3.920 9.305 243 2HB GLN 32 3HB GLN 32 4.506 4.834 10.084 244 1HG GLN 32 2HG GLN 32 1.806 5.960 10.463 245 2HG GLN 32 3HG GLN 32 2.064 4.383 11.213 246 1HE2 GLN 32 2HE2 GLN 32 2.056 7.564 12.035 247 2HE2 GLN 32 1HE2 GLN 32 3.321 7.519 13.253 248 H ARG 33 H ARG 33 3.516 4.040 6.612 249 HA ARG 33 HA ARG 33 5.762 5.093 5.149 250 1HB ARG 33 2HB ARG 33 6.818 3.982 7.155 251 2HB ARG 33 3HB ARG 33 6.152 2.449 6.644 252 1HG ARG 33 2HG ARG 33 7.525 2.313 4.738 253 2HG ARG 33 3HG ARG 33 7.857 4.058 4.709 254 1HD ARG 33 2HD ARG 33 8.728 2.194 6.937 255 2HD ARG 33 3HD ARG 33 9.775 2.656 5.570 256 HE ARG 33 HE ARG 33 8.911 5.075 6.506 257 1HH1 ARG 33 1HH2 ARG 33 10.384 2.352 8.190 258 2HH1 ARG 33 2HH2 ARG 33 11.179 3.317 9.391 259 1HH2 ARG 33 1HH1 ARG 33 9.961 6.389 8.056 260 2HH2 ARG 33 2HH1 ARG 33 10.947 5.683 9.293 261 H ILE 34 H ILE 34 6.226 3.608 3.266 262 HA ILE 34 HA ILE 34 4.161 1.788 2.496 263 HB ILE 34 HB ILE 34 2.993 3.849 2.149 264 1HG1 ILE 34 2HG1 ILE 34 4.136 3.038 -0.534 265 2HG1 ILE 34 3HG1 ILE 34 3.035 2.031 0.373 266 1HG2 ILE 34 1HG2 ILE 34 4.752 5.507 2.250 267 2HG2 ILE 34 2HG2 ILE 34 5.456 4.938 0.733 268 3HG2 ILE 34 3HG2 ILE 34 3.875 5.728 0.751 269 1HD1 ILE 34 1HD1 ILE 34 2.380 4.860 -0.562 270 2HD1 ILE 34 2HD1 ILE 34 1.797 3.353 -1.290 271 3HD1 ILE 34 3HD1 ILE 34 1.322 3.802 0.365 272 H LYS 35 H LYS 35 5.023 0.555 0.853 273 HA LYS 35 HA LYS 35 7.485 1.304 -0.419 274 1HB LYS 35 2HB LYS 35 7.378 -0.797 1.682 275 2HB LYS 35 3HB LYS 35 8.257 -1.182 0.187 276 1HG LYS 35 2HG LYS 35 8.792 1.203 1.986 277 2HG LYS 35 3HG LYS 35 9.620 -0.358 2.055 278 1HD LYS 35 2HD LYS 35 10.175 0.012 -0.476 279 2HD LYS 35 3HD LYS 35 9.569 1.645 -0.230 280 1HE LYS 35 2HE LYS 35 11.940 1.774 -0.018 281 2HE LYS 35 3HE LYS 35 11.272 1.971 1.607 282 1HZ LYS 35 1HZ LYS 35 12.402 -0.516 0.481 283 2HZ LYS 35 2HZ LYS 35 13.143 0.466 1.571 284 3HZ LYS 35 3HZ LYS 35 11.792 -0.366 2.001 285 H VAL 36 H VAL 36 7.615 0.551 -2.553 286 HA VAL 36 HA VAL 36 5.803 -1.766 -3.177 287 HB VAL 36 HB VAL 36 6.486 0.599 -4.928 288 1HG1 VAL 36 1HG1 VAL 36 4.748 -0.410 -6.412 289 2HG1 VAL 36 2HG1 VAL 36 6.107 -1.534 -6.213 290 3HG1 VAL 36 3HG1 VAL 36 4.603 -1.794 -5.314 291 1HG2 VAL 36 1HG2 VAL 36 4.893 1.198 -3.126 292 2HG2 VAL 36 2HG2 VAL 36 4.095 1.163 -4.697 293 3HG2 VAL 36 3HG2 VAL 36 3.873 -0.181 -3.558 294 H SER 37 H SER 37 6.558 -3.507 -4.152 295 HA SER 37 HA SER 37 9.497 -3.720 -4.589 296 1HB SER 37 2HB SER 37 7.586 -5.871 -3.827 297 2HB SER 37 3HB SER 37 9.348 -5.916 -3.784 298 HG SER 37 HG SER 37 8.193 -5.535 -1.728 299 H LEU 38 H LEU 38 9.537 -3.347 -6.877 300 HA LEU 38 HA LEU 38 7.559 -4.367 -8.637 301 1HB LEU 38 2HB LEU 38 9.307 -4.095 -10.416 302 2HB LEU 38 3HB LEU 38 8.696 -2.664 -9.581 303 HG LEU 38 HG LEU 38 11.212 -3.811 -8.444 304 1HD1 LEU 38 1HD1 LEU 38 12.594 -2.811 -10.223 305 2HD1 LEU 38 2HD1 LEU 38 11.607 -4.139 -10.854 306 3HD1 LEU 38 3HD1 LEU 38 11.130 -2.458 -11.172 307 1HD2 LEU 38 1HD2 LEU 38 10.044 -1.670 -7.709 308 2HD2 LEU 38 2HD2 LEU 38 11.718 -1.415 -8.262 309 3HD2 LEU 38 3HD2 LEU 38 10.344 -1.009 -9.318 310 H ASP 39 H ASP 39 10.761 -5.740 -7.690 311 HA ASP 39 HA ASP 39 11.090 -7.621 -9.566 312 1HB ASP 39 2HB ASP 39 11.580 -8.209 -6.601 313 2HB ASP 39 3HB ASP 39 12.476 -8.815 -7.980 314 H ASN 40 H ASN 40 9.455 -8.185 -6.480 315 HA ASN 40 HA ASN 40 8.587 -10.804 -7.414 316 1HB ASN 40 2HB ASN 40 9.678 -10.270 -5.177 317 2HB ASN 40 3HB ASN 40 8.042 -9.827 -4.680 318 1HD2 ASN 40 2HD2 ASN 40 6.539 -11.584 -4.317 319 2HD2 ASN 40 1HD2 ASN 40 7.048 -13.265 -4.442 320 H GLN 41 H GLN 41 7.399 -8.126 -8.331 321 HA GLN 41 HA GLN 41 5.700 -6.759 -8.174 322 1HB GLN 41 2HB GLN 41 5.076 -9.191 -9.625 323 2HB GLN 41 3HB GLN 41 3.584 -8.397 -9.117 324 1HG GLN 41 2HG GLN 41 4.298 -6.305 -10.088 325 2HG GLN 41 3HG GLN 41 5.895 -6.968 -10.496 326 1HE2 GLN 41 2HE2 GLN 41 4.966 -5.929 -12.650 327 2HE2 GLN 41 1HE2 GLN 41 4.147 -7.101 -13.679 328 H GLU 42 H GLU 42 5.868 -6.479 -5.902 329 HA GLU 42 HA GLU 42 3.384 -7.225 -4.448 330 1HB GLU 42 2HB GLU 42 6.038 -8.216 -3.879 331 2HB GLU 42 3HB GLU 42 5.645 -7.032 -2.633 332 1HG GLU 42 2HG GLU 42 3.435 -8.250 -2.311 333 2HG GLU 42 3HG GLU 42 4.038 -9.469 -3.462 334 H ALA 43 H ALA 43 2.819 -5.760 -2.751 335 HA ALA 43 HA ALA 43 4.287 -3.206 -2.638 336 1HB ALA 43 1HB ALA 43 2.599 -2.575 -4.131 337 2HB ALA 43 2HB ALA 43 1.358 -3.543 -3.327 338 3HB ALA 43 3HB ALA 43 1.980 -2.063 -2.553 339 H THR 44 H THR 44 4.052 -2.096 -0.763 340 HA THR 44 HA THR 44 3.375 -3.658 1.675 341 HB THR 44 HB THR 44 5.783 -1.888 0.958 342 HG1 THR 44 1HG THR 44 6.844 -3.747 0.759 343 1HG2 THR 44 1HG2 THR 44 5.035 -3.372 3.523 344 2HG2 THR 44 2HG2 THR 44 6.646 -2.699 3.195 345 3HG2 THR 44 3HG2 THR 44 5.250 -1.618 3.319 346 H ILE 45 H ILE 45 1.912 -2.479 2.882 347 HA ILE 45 HA ILE 45 1.905 0.519 2.577 348 HB ILE 45 HB ILE 45 -0.358 -1.509 2.469 349 1HG1 ILE 45 2HG1 ILE 45 0.811 -0.892 0.302 350 2HG1 ILE 45 3HG1 ILE 45 -0.921 -0.563 0.379 351 1HG2 ILE 45 1HG2 ILE 45 -1.818 0.544 2.283 352 2HG2 ILE 45 2HG2 ILE 45 -1.260 0.081 3.886 353 3HG2 ILE 45 3HG2 ILE 45 -0.492 1.458 3.051 354 1HD1 ILE 45 1HD1 ILE 45 0.970 1.665 1.012 355 2HD1 ILE 45 2HD1 ILE 45 0.582 1.231 -0.665 356 3HD1 ILE 45 3HD1 ILE 45 -0.704 1.721 0.457 357 H VAL 46 H VAL 46 2.382 1.468 4.493 358 HA VAL 46 HA VAL 46 1.863 -0.170 6.915 359 HB VAL 46 HB VAL 46 4.102 1.786 6.809 360 1HG1 VAL 46 1HG1 VAL 46 3.306 0.654 8.846 361 2HG1 VAL 46 2HG1 VAL 46 3.761 -0.901 8.174 362 3HG1 VAL 46 3HG1 VAL 46 5.015 0.318 8.475 363 1HG2 VAL 46 1HG2 VAL 46 4.641 0.575 4.793 364 2HG2 VAL 46 2HG2 VAL 46 5.617 -0.125 6.089 365 3HG2 VAL 46 3HG2 VAL 46 4.154 -0.963 5.516 366 H TYR 47 H TYR 47 0.210 0.726 8.058 367 HA TYR 47 HA TYR 47 0.101 3.698 8.239 368 1HB TYR 47 2HB TYR 47 -2.113 3.846 7.409 369 2HB TYR 47 3HB TYR 47 -1.204 2.948 6.222 370 HD1 TYR 47 1HD TYR 47 -3.909 2.800 8.746 371 HD2 TYR 47 2HD TYR 47 -1.632 0.549 5.888 372 HE1 TYR 47 1HE TYR 47 -5.585 0.984 8.830 373 HE2 TYR 47 2HE TYR 47 -3.525 -1.083 5.699 374 HH TYR 47 HH TYR 47 -5.999 -1.203 8.273 375 H GLN 48 H GLN 48 -1.913 4.359 9.526 376 HA GLN 48 HA GLN 48 -1.615 2.897 12.084 377 1HB GLN 48 2HB GLN 48 -0.817 5.222 11.834 378 2HB GLN 48 3HB GLN 48 -2.467 5.759 11.610 379 1HG GLN 48 2HG GLN 48 -3.094 5.294 13.827 380 2HG GLN 48 3HG GLN 48 -1.973 3.949 13.993 381 1HE2 GLN 48 2HE2 GLN 48 0.514 4.900 13.523 382 2HE2 GLN 48 1HE2 GLN 48 0.866 6.194 14.654 383 HA PRO 49 HA PRO 49 -5.832 1.763 10.834 384 1HB PRO 49 2HB PRO 49 -6.266 -0.343 12.491 385 2HB PRO 49 3HB PRO 49 -5.058 -0.415 11.180 386 1HG PRO 49 2HG PRO 49 -4.556 0.232 14.097 387 2HG PRO 49 3HG PRO 49 -3.708 -0.974 13.085 388 1HD PRO 49 2HD PRO 49 -2.727 1.531 13.487 389 2HD PRO 49 3HD PRO 49 -2.539 0.715 11.908 390 H HIS 50 H HIS 50 -6.223 3.903 11.611 391 HA HIS 50 HA HIS 50 -8.413 4.073 13.423 392 1HB HIS 50 2HB HIS 50 -6.328 3.954 15.014 393 2HB HIS 50 3HB HIS 50 -5.951 5.567 14.418 394 HD1 HIS 50 1HD HIS 50 -7.834 7.493 15.120 395 HD2 HIS 50 2HD HIS 50 -8.365 3.612 16.659 396 HE1 HIS 50 1HE HIS 50 -9.552 7.677 17.003 397 H LEU 51 H LEU 51 -5.701 5.684 11.670 398 HA LEU 51 HA LEU 51 -7.304 8.120 11.257 399 1HB LEU 51 2HB LEU 51 -4.558 7.303 10.487 400 2HB LEU 51 3HB LEU 51 -5.260 8.882 10.121 401 HG LEU 51 HG LEU 51 -4.965 7.822 12.966 402 1HD1 LEU 51 1HD1 LEU 51 -3.174 9.781 11.468 403 2HD1 LEU 51 2HD1 LEU 51 -3.034 9.321 13.178 404 3HD1 LEU 51 3HD1 LEU 51 -2.736 8.117 11.915 405 1HD2 LEU 51 1HD2 LEU 51 -5.243 10.246 13.548 406 2HD2 LEU 51 2HD2 LEU 51 -5.577 10.594 11.840 407 3HD2 LEU 51 3HD2 LEU 51 -6.684 9.574 12.785 408 H ILE 52 H ILE 52 -5.979 5.362 9.336 409 HA ILE 52 HA ILE 52 -7.817 5.992 7.155 410 HB ILE 52 HB ILE 52 -5.161 6.776 7.192 411 1HG1 ILE 52 2HG1 ILE 52 -5.453 6.597 4.570 412 2HG1 ILE 52 3HG1 ILE 52 -7.132 6.348 5.114 413 1HG2 ILE 52 1HG2 ILE 52 -4.324 4.518 7.228 414 2HG2 ILE 52 2HG2 ILE 52 -5.016 4.233 5.584 415 3HG2 ILE 52 3HG2 ILE 52 -3.766 5.485 5.877 416 1HD1 ILE 52 1HD1 ILE 52 -5.262 8.668 5.796 417 2HD1 ILE 52 2HD1 ILE 52 -6.668 8.757 4.720 418 3HD1 ILE 52 3HD1 ILE 52 -6.899 8.486 6.462 419 H SER 53 H SER 53 -8.072 4.073 5.716 420 HA SER 53 HA SER 53 -7.743 1.525 7.272 421 1HB SER 53 2HB SER 53 -9.875 0.894 6.326 422 2HB SER 53 3HB SER 53 -10.046 2.520 7.011 423 HG SER 53 HG SER 53 -9.900 3.388 4.988 424 H VAL 54 H VAL 54 -7.849 -0.481 5.953 425 HA VAL 54 HA VAL 54 -6.064 -0.752 3.809 426 HB VAL 54 HB VAL 54 -8.578 -2.340 4.421 427 1HG1 VAL 54 1HG1 VAL 54 -7.980 -2.769 2.103 428 2HG1 VAL 54 2HG1 VAL 54 -6.263 -2.893 2.542 429 3HG1 VAL 54 3HG1 VAL 54 -7.429 -4.135 3.065 430 1HG2 VAL 54 1HG2 VAL 54 -7.110 -2.648 6.255 431 2HG2 VAL 54 2HG2 VAL 54 -6.765 -4.031 5.207 432 3HG2 VAL 54 3HG2 VAL 54 -5.671 -2.641 5.200 433 H GLU 55 H GLU 55 -9.551 0.149 3.793 434 HA GLU 55 HA GLU 55 -9.785 -0.329 0.983 435 1HB GLU 55 2HB GLU 55 -11.652 -0.302 2.739 436 2HB GLU 55 3HB GLU 55 -11.593 1.459 2.538 437 1HG GLU 55 2HG GLU 55 -13.183 0.953 0.937 438 2HG GLU 55 3HG GLU 55 -11.739 0.595 -0.020 439 H GLU 56 H GLU 56 -9.253 2.713 2.876 440 HA GLU 56 HA GLU 56 -9.147 4.559 0.776 441 1HB GLU 56 2HB GLU 56 -7.913 4.240 3.493 442 2HB GLU 56 3HB GLU 56 -7.089 5.339 2.449 443 1HG GLU 56 2HG GLU 56 -8.520 6.906 3.200 444 2HG GLU 56 3HG GLU 56 -9.696 6.111 2.156 445 H MET 57 H MET 57 -6.418 2.608 2.152 446 HA MET 57 HA MET 57 -4.481 3.180 0.283 447 1HB MET 57 2HB MET 57 -5.002 0.601 1.645 448 2HB MET 57 3HB MET 57 -3.521 1.124 0.882 449 1HG MET 57 2HG MET 57 -4.781 2.552 3.264 450 2HG MET 57 3HG MET 57 -3.578 1.308 3.364 451 1HE MET 57 1HE MET 57 -4.363 4.924 3.346 452 2HE MET 57 2HE MET 57 -3.009 5.746 2.546 453 3HE MET 57 3HE MET 57 -4.211 4.877 1.580 454 H LYS 58 H LYS 58 -6.600 0.239 0.058 455 HA LYS 58 HA LYS 58 -5.678 -0.352 -2.571 456 1HB LYS 58 2HB LYS 58 -6.428 -2.132 -1.699 457 2HB LYS 58 3HB LYS 58 -7.823 -1.394 -0.803 458 1HG LYS 58 2HG LYS 58 -8.870 -1.376 -3.297 459 2HG LYS 58 3HG LYS 58 -7.520 -2.441 -3.667 460 1HD LYS 58 2HD LYS 58 -9.328 -3.861 -3.166 461 2HD LYS 58 3HD LYS 58 -8.340 -3.887 -1.691 462 1HE LYS 58 2HE LYS 58 -9.874 -2.023 -0.779 463 2HE LYS 58 3HE LYS 58 -10.866 -2.204 -2.225 464 1HZ LYS 58 1HZ LYS 58 -10.364 -4.334 -0.258 465 2HZ LYS 58 2HZ LYS 58 -11.620 -3.292 -0.239 466 3HZ LYS 58 3HZ LYS 58 -11.468 -4.364 -1.501 467 H LYS 59 H LYS 59 -8.871 1.048 -1.658 468 HA LYS 59 HA LYS 59 -9.962 1.443 -4.154 469 1HB LYS 59 2HB LYS 59 -10.802 2.023 -1.791 470 2HB LYS 59 3HB LYS 59 -10.056 3.600 -2.033 471 1HG LYS 59 2HG LYS 59 -12.270 2.257 -3.656 472 2HG LYS 59 3HG LYS 59 -12.466 3.505 -2.424 473 1HD LYS 59 2HD LYS 59 -11.003 5.031 -3.945 474 2HD LYS 59 3HD LYS 59 -11.170 3.766 -5.171 475 1HE LYS 59 2HE LYS 59 -12.884 5.325 -5.679 476 2HE LYS 59 3HE LYS 59 -13.691 3.939 -4.937 477 1HZ LYS 59 1HZ LYS 59 -13.042 6.502 -3.626 478 2HZ LYS 59 2HZ LYS 59 -14.534 5.968 -4.051 479 3HZ LYS 59 3HZ LYS 59 -13.709 5.214 -2.850 480 H GLN 60 H GLN 60 -7.606 3.621 -2.439 481 HA GLN 60 HA GLN 60 -7.386 5.406 -4.724 482 1HB GLN 60 2HB GLN 60 -5.569 4.822 -2.430 483 2HB GLN 60 3HB GLN 60 -5.273 6.135 -3.576 484 1HG GLN 60 2HG GLN 60 -7.887 5.932 -2.013 485 2HG GLN 60 3HG GLN 60 -6.461 6.757 -1.392 486 1HE2 GLN 60 2HE2 GLN 60 -8.886 8.080 -1.724 487 2HE2 GLN 60 1HE2 GLN 60 -8.700 9.276 -2.989 488 H ILE 61 H ILE 61 -5.438 2.502 -3.773 489 HA ILE 61 HA ILE 61 -3.518 2.879 -5.917 490 HB ILE 61 HB ILE 61 -4.089 0.477 -4.180 491 1HG1 ILE 61 2HG1 ILE 61 -1.935 2.646 -4.292 492 2HG1 ILE 61 3HG1 ILE 61 -3.187 2.543 -3.086 493 1HG2 ILE 61 1HG2 ILE 61 -3.160 -0.273 -6.356 494 2HG2 ILE 61 2HG2 ILE 61 -1.927 0.999 -6.283 495 3HG2 ILE 61 3HG2 ILE 61 -1.910 -0.363 -5.137 496 1HD1 ILE 61 1HD1 ILE 61 -0.909 0.597 -3.437 497 2HD1 ILE 61 2HD1 ILE 61 -1.251 1.686 -2.082 498 3HD1 ILE 61 3HD1 ILE 61 -2.328 0.306 -2.388 499 H GLU 62 H GLU 62 -6.101 0.301 -5.536 500 HA GLU 62 HA GLU 62 -6.115 -0.657 -8.088 501 1HB GLU 62 2HB GLU 62 -7.762 -0.779 -5.753 502 2HB GLU 62 3HB GLU 62 -8.828 -0.169 -7.003 503 1HG GLU 62 2HG GLU 62 -8.114 -2.104 -8.411 504 2HG GLU 62 3HG GLU 62 -7.097 -2.681 -7.078 505 H ALA 63 H ALA 63 -7.617 2.482 -7.036 506 HA ALA 63 HA ALA 63 -8.999 3.030 -9.416 507 1HB ALA 63 1HB ALA 63 -9.201 4.441 -7.456 508 2HB ALA 63 2HB ALA 63 -7.492 4.929 -7.601 509 3HB ALA 63 3HB ALA 63 -8.672 5.423 -8.832 510 H MET 64 H MET 64 -5.475 3.161 -8.900 511 HA MET 64 HA MET 64 -4.727 4.687 -11.178 512 1HB MET 64 2HB MET 64 -3.315 2.392 -9.792 513 2HB MET 64 3HB MET 64 -2.611 3.507 -10.954 514 1HG MET 64 2HG MET 64 -3.814 4.425 -8.313 515 2HG MET 64 3HG MET 64 -2.135 4.012 -8.568 516 1HE MET 64 1HE MET 64 -1.933 7.886 -8.172 517 2HE MET 64 2HE MET 64 -3.090 6.807 -7.350 518 3HE MET 64 3HE MET 64 -1.384 6.331 -7.527 519 H GLY 65 H GLY 65 -5.592 1.249 -10.687 520 1HA GLY 65 1HA GLY 65 -6.815 0.368 -12.716 521 2HA GLY 65 2HA GLY 65 -5.312 0.655 -13.609 522 H PHE 66 H PHE 66 -3.971 -0.062 -10.843 523 HA PHE 66 HA PHE 66 -3.265 -2.704 -11.749 524 1HB PHE 66 2HB PHE 66 -2.396 -1.055 -9.380 525 2HB PHE 66 3HB PHE 66 -1.500 -2.436 -10.054 526 HD1 PHE 66 1HD PHE 66 -1.278 -2.058 -12.863 527 HD2 PHE 66 2HD PHE 66 -1.336 0.959 -9.784 528 HE1 PHE 66 1HE PHE 66 -0.370 -0.393 -14.467 529 HE2 PHE 66 2HE PHE 66 -0.349 2.596 -11.378 530 HZ PHE 66 HZ PHE 66 0.035 1.947 -13.728 531 HA PRO 67 HA PRO 67 -6.258 -4.359 -8.708 532 1HB PRO 67 2HB PRO 67 -6.157 -7.014 -9.343 533 2HB PRO 67 3HB PRO 67 -7.009 -5.788 -10.319 534 1HG PRO 67 2HG PRO 67 -4.228 -6.916 -10.771 535 2HG PRO 67 3HG PRO 67 -5.533 -6.733 -11.976 536 1HD PRO 67 2HD PRO 67 -3.511 -4.917 -11.686 537 2HD PRO 67 3HD PRO 67 -5.166 -4.406 -12.137 538 H ALA 68 H ALA 68 -5.767 -4.788 -6.618 539 HA ALA 68 HA ALA 68 -3.077 -5.920 -5.977 540 1HB ALA 68 1HB ALA 68 -3.020 -4.494 -4.066 541 2HB ALA 68 2HB ALA 68 -3.184 -3.508 -5.539 542 3HB ALA 68 3HB ALA 68 -4.592 -3.766 -4.481 543 H PHE 69 H PHE 69 -2.949 -7.484 -4.401 544 HA PHE 69 HA PHE 69 -5.537 -8.439 -3.186 545 1HB PHE 69 2HB PHE 69 -3.138 -9.784 -4.252 546 2HB PHE 69 3HB PHE 69 -4.051 -10.572 -2.970 547 HD1 PHE 69 1HD PHE 69 -4.268 -9.356 -6.491 548 HD2 PHE 69 2HD PHE 69 -6.279 -11.450 -3.294 549 HE1 PHE 69 1HE PHE 69 -5.917 -10.265 -8.106 550 HE2 PHE 69 2HE PHE 69 -7.902 -12.371 -4.919 551 HZ PHE 69 HZ PHE 69 -7.721 -11.789 -7.328 552 H VAL 70 H VAL 70 -5.192 -6.758 -1.594 553 HA VAL 70 HA VAL 70 -3.121 -6.862 0.432 554 HB VAL 70 HB VAL 70 -4.411 -4.921 -0.264 555 1HG1 VAL 70 1HG1 VAL 70 -6.501 -5.842 1.664 556 2HG1 VAL 70 2HG1 VAL 70 -6.505 -4.426 0.585 557 3HG1 VAL 70 3HG1 VAL 70 -6.633 -6.063 -0.100 558 1HG2 VAL 70 1HG2 VAL 70 -4.260 -5.577 2.705 559 2HG2 VAL 70 2HG2 VAL 70 -2.917 -4.979 1.709 560 3HG2 VAL 70 3HG2 VAL 70 -4.322 -3.950 1.994 561 H LYS 71 H LYS 71 -2.826 -8.879 1.418 562 HA LYS 71 HA LYS 71 -4.961 -9.648 3.261 563 1HB LYS 71 2HB LYS 71 -5.107 -11.915 2.524 564 2HB LYS 71 3HB LYS 71 -5.764 -10.756 1.355 565 1HG LYS 71 2HG LYS 71 -3.592 -10.818 0.162 566 2HG LYS 71 3HG LYS 71 -3.050 -12.077 1.254 567 1HD LYS 71 2HD LYS 71 -5.401 -13.234 0.509 568 2HD LYS 71 3HD LYS 71 -5.229 -12.152 -0.866 569 1HE LYS 71 2HE LYS 71 -4.184 -14.056 -1.697 570 2HE LYS 71 3HE LYS 71 -2.791 -13.191 -1.030 571 1HZ LYS 71 1HZ LYS 71 -4.298 -15.387 0.250 572 2HZ LYS 71 2HZ LYS 71 -2.777 -15.483 -0.347 573 3HZ LYS 71 3HZ LYS 71 -3.080 -14.567 0.986 574 H LYS 72 H LYS 72 -2.784 -8.592 4.242 575 HA LYS 72 HA LYS 72 -1.514 -10.780 5.672 576 1HB LYS 72 2HB LYS 72 -0.324 -9.638 3.303 577 2HB LYS 72 3HB LYS 72 0.594 -9.027 4.673 578 1HG LYS 72 2HG LYS 72 0.039 -11.997 4.577 579 2HG LYS 72 3HG LYS 72 1.104 -11.323 3.341 580 1HD LYS 72 2HD LYS 72 2.501 -10.249 5.108 581 2HD LYS 72 3HD LYS 72 1.498 -11.032 6.342 582 1HE LYS 72 2HE LYS 72 2.170 -13.255 5.537 583 2HE LYS 72 3HE LYS 72 3.000 -12.544 4.136 584 1HZ LYS 72 1HZ LYS 72 3.798 -12.282 6.968 585 2HZ LYS 72 2HZ LYS 72 4.606 -13.093 5.805 586 3HZ LYS 72 3HZ LYS 72 4.496 -11.458 5.785 587 H ILE 73 H ILE 73 -0.921 -9.969 7.706 588 HA ILE 73 HA ILE 73 -0.829 -7.045 8.140 589 HB ILE 73 HB ILE 73 -2.560 -8.933 9.805 590 1HG1 ILE 73 2HG1 ILE 73 -4.268 -6.996 9.091 591 2HG1 ILE 73 3HG1 ILE 73 -3.230 -6.893 7.682 592 1HG2 ILE 73 1HG2 ILE 73 -3.151 -6.895 11.053 593 2HG2 ILE 73 2HG2 ILE 73 -1.419 -7.171 11.160 594 3HG2 ILE 73 3HG2 ILE 73 -2.042 -5.936 10.050 595 1HD1 ILE 73 1HD1 ILE 73 -4.742 -9.345 8.723 596 2HD1 ILE 73 2HD1 ILE 73 -5.161 -8.373 7.300 597 3HD1 ILE 73 3HD1 ILE 73 -3.708 -9.380 7.286 598 H GLU 74 H GLU 74 1.471 -7.538 8.156 599 HA GLU 74 HA GLU 74 2.392 -9.280 10.382 600 1HB GLU 74 2HB GLU 74 3.570 -8.662 7.903 601 2HB GLU 74 3HB GLU 74 4.503 -7.738 9.081 602 1HG GLU 74 2HG GLU 74 5.657 -9.687 9.128 603 2HG GLU 74 3HG GLU 74 4.548 -10.015 10.457 604 H GLY 75 H GLY 75 4.344 -8.240 11.587 605 1HA GLY 75 1HA GLY 75 3.412 -5.705 12.879 606 2HA GLY 75 2HA GLY 75 4.485 -6.915 13.587 607 H ARG 76 H ARG 76 6.624 -7.236 12.494 608 HA ARG 76 HA ARG 76 7.794 -4.619 11.723 609 1HB ARG 76 2HB ARG 76 8.629 -5.785 13.769 610 2HB ARG 76 3HB ARG 76 9.147 -7.154 12.777 611 1HG ARG 76 2HG ARG 76 10.065 -4.350 12.108 612 2HG ARG 76 3HG ARG 76 10.816 -5.172 13.471 613 1HD ARG 76 2HD ARG 76 10.651 -6.618 10.820 614 2HD ARG 76 3HD ARG 76 11.824 -5.310 11.024 615 HE ARG 76 HE ARG 76 12.108 -6.999 13.254 616 1HH1 ARG 76 1HH2 ARG 76 12.382 -7.263 9.767 617 2HH1 ARG 76 2HH2 ARG 76 13.759 -8.324 9.759 618 1HH2 ARG 76 1HH1 ARG 76 13.973 -8.405 13.325 619 2HH2 ARG 76 2HH1 ARG 76 14.670 -9.004 11.856 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -0.942 1.531 17.750 2 2H GLY 1 2H GLY 1 -0.030 2.591 18.653 3 3H GLY 1 3H GLY 1 -0.820 3.089 17.267 4 1HA GLY 1 1HA GLY 1 1.532 2.840 16.889 5 2HA GLY 1 2HA GLY 1 1.314 1.107 17.236 6 H GLU 2 H GLU 2 2.033 0.868 15.017 7 HA GLU 2 HA GLU 2 0.082 1.483 12.862 8 1HB GLU 2 2HB GLU 2 2.228 1.218 11.467 9 2HB GLU 2 3HB GLU 2 2.119 2.638 12.511 10 1HG GLU 2 2HG GLU 2 3.473 0.125 13.559 11 2HG GLU 2 3HG GLU 2 4.332 1.202 12.478 12 H VAL 3 H VAL 3 0.263 0.014 10.967 13 HA VAL 3 HA VAL 3 0.906 -2.807 11.574 14 HB VAL 3 HB VAL 3 -1.683 -1.706 10.469 15 1HG1 VAL 3 1HG1 VAL 3 -0.753 -4.589 10.432 16 2HG1 VAL 3 2HG1 VAL 3 -2.424 -4.035 10.154 17 3HG1 VAL 3 3HG1 VAL 3 -1.154 -3.559 9.033 18 1HG2 VAL 3 1HG2 VAL 3 -1.106 -3.606 12.799 19 2HG2 VAL 3 2HG2 VAL 3 -1.548 -1.900 12.966 20 3HG2 VAL 3 3HG2 VAL 3 -2.717 -3.049 12.299 21 H VAL 4 H VAL 4 1.715 -3.837 9.851 22 HA VAL 4 HA VAL 4 2.323 -2.352 7.356 23 HB VAL 4 HB VAL 4 3.820 -4.216 8.930 24 1HG1 VAL 4 1HG1 VAL 4 3.284 -5.234 6.099 25 2HG1 VAL 4 2HG1 VAL 4 4.542 -5.825 7.201 26 3HG1 VAL 4 3HG1 VAL 4 2.847 -6.075 7.606 27 1HG2 VAL 4 1HG2 VAL 4 4.751 -2.273 7.834 28 2HG2 VAL 4 2HG2 VAL 4 5.593 -3.737 7.329 29 3HG2 VAL 4 3HG2 VAL 4 4.407 -2.997 6.236 30 H LEU 5 H LEU 5 1.159 -2.760 5.580 31 HA LEU 5 HA LEU 5 -0.549 -5.209 5.442 32 1HB LEU 5 2HB LEU 5 -1.942 -3.303 5.518 33 2HB LEU 5 3HB LEU 5 -0.950 -2.369 4.395 34 HG LEU 5 HG LEU 5 -2.120 -4.988 3.458 35 1HD1 LEU 5 1HD1 LEU 5 -4.061 -4.122 4.374 36 2HD1 LEU 5 2HD1 LEU 5 -3.635 -2.433 4.016 37 3HD1 LEU 5 3HD1 LEU 5 -4.126 -3.508 2.700 38 1HD2 LEU 5 1HD2 LEU 5 -2.101 -2.423 1.875 39 2HD2 LEU 5 2HD2 LEU 5 -0.563 -3.246 2.090 40 3HD2 LEU 5 3HD2 LEU 5 -1.922 -4.103 1.344 41 H LYS 6 H LYS 6 -0.244 -6.424 3.526 42 HA LYS 6 HA LYS 6 1.874 -5.515 1.658 43 1HB LYS 6 2HB LYS 6 2.248 -7.553 3.564 44 2HB LYS 6 3HB LYS 6 1.731 -8.414 2.105 45 1HG LYS 6 2HG LYS 6 3.954 -8.450 1.873 46 2HG LYS 6 3HG LYS 6 3.548 -7.008 0.916 47 1HD LYS 6 2HD LYS 6 4.124 -5.570 2.816 48 2HD LYS 6 3HD LYS 6 4.475 -6.964 3.842 49 1HE LYS 6 2HE LYS 6 5.974 -6.175 1.296 50 2HE LYS 6 3HE LYS 6 6.541 -5.930 2.959 51 1HZ LYS 6 1HZ LYS 6 6.187 -8.435 1.479 52 2HZ LYS 6 2HZ LYS 6 7.559 -7.842 2.104 53 3HZ LYS 6 3HZ LYS 6 6.406 -8.432 3.129 54 H MET 7 H MET 7 0.825 -5.294 -0.249 55 HA MET 7 HA MET 7 -1.287 -7.258 -0.927 56 1HB MET 7 2HB MET 7 -1.979 -5.449 -2.596 57 2HB MET 7 3HB MET 7 -2.399 -5.186 -0.898 58 1HG MET 7 2HG MET 7 -0.758 -3.625 -0.520 59 2HG MET 7 3HG MET 7 0.069 -4.017 -2.023 60 1HE MET 7 1HE MET 7 -3.762 -3.329 -1.347 61 2HE MET 7 2HE MET 7 -2.948 -2.068 -0.384 62 3HE MET 7 3HE MET 7 -3.889 -1.628 -1.826 63 H LYS 8 H LYS 8 -0.988 -8.487 -2.679 64 HA LYS 8 HA LYS 8 1.518 -8.275 -4.266 65 1HB LYS 8 2HB LYS 8 -0.963 -10.011 -4.355 66 2HB LYS 8 3HB LYS 8 0.037 -9.842 -5.800 67 1HG LYS 8 2HG LYS 8 0.582 -11.783 -4.524 68 2HG LYS 8 3HG LYS 8 1.954 -10.653 -4.654 69 1HD LYS 8 2HD LYS 8 1.586 -9.858 -2.374 70 2HD LYS 8 3HD LYS 8 0.096 -10.825 -2.233 71 1HE LYS 8 2HE LYS 8 1.439 -12.906 -2.339 72 2HE LYS 8 3HE LYS 8 2.890 -11.979 -2.767 73 1HZ LYS 8 1HZ LYS 8 1.522 -11.745 -0.176 74 2HZ LYS 8 2HZ LYS 8 2.935 -12.569 -0.479 75 3HZ LYS 8 3HZ LYS 8 2.872 -10.952 -0.671 76 H VAL 9 H VAL 9 1.647 -7.174 -6.260 77 HA VAL 9 HA VAL 9 -0.876 -5.993 -7.314 78 HB VAL 9 HB VAL 9 0.546 -4.152 -8.142 79 1HG1 VAL 9 1HG1 VAL 9 0.145 -4.376 -5.124 80 2HG1 VAL 9 2HG1 VAL 9 0.468 -2.853 -5.972 81 3HG1 VAL 9 3HG1 VAL 9 -1.012 -3.761 -6.324 82 1HG2 VAL 9 1HG2 VAL 9 2.786 -5.147 -7.736 83 2HG2 VAL 9 2HG2 VAL 9 2.631 -3.543 -7.013 84 3HG2 VAL 9 3HG2 VAL 9 2.536 -4.981 -5.983 85 H GLU 10 H GLU 10 -0.904 -5.926 -9.582 86 HA GLU 10 HA GLU 10 1.106 -7.725 -10.885 87 1HB GLU 10 2HB GLU 10 -1.751 -7.410 -11.742 88 2HB GLU 10 3HB GLU 10 -0.555 -8.574 -12.311 89 1HG GLU 10 2HG GLU 10 -1.662 -8.482 -9.470 90 2HG GLU 10 3HG GLU 10 -2.206 -9.581 -10.743 91 H GLY 11 H GLY 11 1.987 -6.929 -12.799 92 1HA GLY 11 1HA GLY 11 1.828 -5.800 -14.878 93 2HA GLY 11 2HA GLY 11 0.653 -4.661 -14.216 94 H MET 12 H MET 12 2.113 -3.944 -11.812 95 HA MET 12 HA MET 12 3.705 -1.824 -12.810 96 1HB MET 12 2HB MET 12 3.633 -3.136 -10.059 97 2HB MET 12 3HB MET 12 4.638 -1.734 -10.456 98 1HG MET 12 2HG MET 12 2.555 -0.538 -11.241 99 2HG MET 12 3HG MET 12 1.616 -1.855 -10.544 100 1HE MET 12 1HE MET 12 1.060 -2.094 -8.240 101 2HE MET 12 2HE MET 12 1.070 -0.741 -7.102 102 3HE MET 12 3HE MET 12 0.292 -0.565 -8.699 103 H THR 13 H THR 13 5.547 -2.034 -13.966 104 HA THR 13 HA THR 13 7.794 -3.550 -12.839 105 HB THR 13 HB THR 13 6.446 -4.068 -15.493 106 HG1 THR 13 1HG THR 13 6.207 -5.229 -13.249 107 1HG2 THR 13 1HG2 THR 13 9.271 -4.800 -14.684 108 2HG2 THR 13 2HG2 THR 13 8.327 -5.765 -15.844 109 3HG2 THR 13 3HG2 THR 13 8.696 -4.084 -16.216 110 H CYS 14 HN CYS 14 7.241 -0.745 -12.754 111 HA CYS 14 HA CYS 14 9.791 0.008 -13.800 112 1HB CYS 14 2HB CYS 14 9.189 1.909 -15.081 113 2HB CYS 14 3HB CYS 14 8.262 0.570 -15.746 114 H HIS 15 H HIS 15 10.504 1.967 -12.760 115 HA HIS 15 HA HIS 15 9.618 2.184 -10.070 116 1HB HIS 15 2HB HIS 15 11.294 3.817 -9.782 117 2HB HIS 15 3HB HIS 15 11.948 2.588 -10.861 118 HD1 HIS 15 1HD HIS 15 11.811 3.449 -13.640 119 HD2 HIS 15 2HD HIS 15 11.615 6.266 -10.517 120 HE1 HIS 15 1HE HIS 15 12.363 5.712 -14.662 121 H SER 16 H SER 16 8.442 3.657 -12.961 122 HA SER 16 HA SER 16 7.662 6.198 -11.955 123 1HB SER 16 2HB SER 16 7.719 5.181 -14.437 124 2HB SER 16 3HB SER 16 6.006 4.874 -14.099 125 HG SER 16 HG SER 16 6.413 6.952 -15.008 126 H CYS 17 HN CYS 17 5.708 3.171 -12.433 127 HA CYS 17 HA CYS 17 3.369 4.106 -11.219 128 1HB CYS 17 2HB CYS 17 4.410 1.244 -11.178 129 2HB CYS 17 3HB CYS 17 2.745 1.805 -10.979 130 H THR 18 H THR 18 6.066 2.234 -9.739 131 HA THR 18 HA THR 18 4.973 2.042 -7.182 132 HB THR 18 HB THR 18 7.252 1.575 -6.414 133 HG1 THR 18 1HG THR 18 8.981 1.979 -7.652 134 1HG2 THR 18 1HG2 THR 18 6.999 0.391 -9.217 135 2HG2 THR 18 2HG2 THR 18 7.726 -0.341 -7.779 136 3HG2 THR 18 3HG2 THR 18 5.963 -0.133 -7.886 137 H SER 19 H SER 19 7.364 4.434 -8.374 138 HA SER 19 HA SER 19 7.405 6.055 -6.090 139 1HB SER 19 2HB SER 19 8.984 6.183 -8.002 140 2HB SER 19 3HB SER 19 7.716 6.914 -9.010 141 HG SER 19 HG SER 19 9.148 8.451 -8.011 142 H THR 20 H THR 20 5.177 6.317 -8.949 143 HA THR 20 HA THR 20 3.758 8.604 -8.105 144 HB THR 20 HB THR 20 2.969 6.175 -9.761 145 HG1 THR 20 1HG THR 20 3.643 8.875 -10.306 146 1HG2 THR 20 1HG2 THR 20 1.307 8.667 -9.216 147 2HG2 THR 20 2HG2 THR 20 1.044 7.539 -10.567 148 3HG2 THR 20 3HG2 THR 20 0.853 6.973 -8.905 149 H ILE 21 H ILE 21 3.113 5.112 -7.299 150 HA ILE 21 HA ILE 21 0.816 5.698 -5.691 151 HB ILE 21 HB ILE 21 2.701 3.420 -6.296 152 1HG1 ILE 21 2HG1 ILE 21 -0.299 3.243 -6.150 153 2HG1 ILE 21 3HG1 ILE 21 0.411 4.201 -7.449 154 1HG2 ILE 21 1HG2 ILE 21 2.510 3.195 -3.935 155 2HG2 ILE 21 2HG2 ILE 21 0.725 3.320 -4.032 156 3HG2 ILE 21 3HG2 ILE 21 1.590 1.934 -4.760 157 1HD1 ILE 21 1HD1 ILE 21 1.454 1.429 -6.912 158 2HD1 ILE 21 2HD1 ILE 21 -0.013 1.676 -7.871 159 3HD1 ILE 21 3HD1 ILE 21 1.530 2.378 -8.406 160 H GLU 22 H GLU 22 4.260 5.139 -4.904 161 HA GLU 22 HA GLU 22 4.250 5.485 -2.150 162 1HB GLU 22 2HB GLU 22 6.185 5.755 -4.358 163 2HB GLU 22 3HB GLU 22 6.603 6.774 -3.016 164 1HG GLU 22 2HG GLU 22 6.435 4.783 -1.496 165 2HG GLU 22 3HG GLU 22 5.991 3.790 -2.901 166 H GLY 23 H GLY 23 4.541 8.043 -4.624 167 1HA GLY 23 1HA GLY 23 4.392 10.314 -2.988 168 2HA GLY 23 2HA GLY 23 3.813 10.205 -4.660 169 H LYS 24 H LYS 24 1.653 8.677 -4.714 170 HA LYS 24 HA LYS 24 -0.303 10.399 -3.721 171 1HB LYS 24 2HB LYS 24 -0.511 8.634 -5.621 172 2HB LYS 24 3HB LYS 24 -0.811 7.465 -4.363 173 1HG LYS 24 2HG LYS 24 -2.975 8.100 -4.989 174 2HG LYS 24 3HG LYS 24 -2.694 9.029 -3.515 175 1HD LYS 24 2HD LYS 24 -1.870 10.933 -5.148 176 2HD LYS 24 3HD LYS 24 -2.649 10.000 -6.411 177 1HE LYS 24 2HE LYS 24 -3.949 11.173 -3.896 178 2HE LYS 24 3HE LYS 24 -4.101 11.789 -5.546 179 1HZ LYS 24 1HZ LYS 24 -5.180 9.225 -4.537 180 2HZ LYS 24 2HZ LYS 24 -6.014 10.541 -4.989 181 3HZ LYS 24 3HZ LYS 24 -5.199 9.675 -6.118 182 H ILE 25 H ILE 25 0.388 7.129 -2.560 183 HA ILE 25 HA ILE 25 -1.404 7.242 -0.326 184 HB ILE 25 HB ILE 25 0.891 5.402 -1.044 185 1HG1 ILE 25 2HG1 ILE 25 -0.779 3.769 -1.397 186 2HG1 ILE 25 3HG1 ILE 25 -2.048 4.786 -0.679 187 1HG2 ILE 25 1HG2 ILE 25 -1.042 5.384 1.284 188 2HG2 ILE 25 2HG2 ILE 25 -0.127 3.964 0.765 189 3HG2 ILE 25 3HG2 ILE 25 0.751 5.374 1.405 190 1HD1 ILE 25 1HD1 ILE 25 -0.659 5.332 -3.279 191 2HD1 ILE 25 2HD1 ILE 25 -2.255 4.567 -3.087 192 3HD1 ILE 25 3HD1 ILE 25 -2.033 6.241 -2.549 193 H GLY 26 H GLY 26 2.144 7.710 -0.573 194 1HA GLY 26 1HA GLY 26 2.748 8.266 2.097 195 2HA GLY 26 2HA GLY 26 3.556 9.001 0.705 196 H LYS 27 H LYS 27 1.382 10.500 -0.395 197 HA LYS 27 HA LYS 27 1.423 12.775 1.313 198 1HB LYS 27 2HB LYS 27 1.636 12.845 -1.091 199 2HB LYS 27 3HB LYS 27 0.016 12.163 -1.322 200 1HG LYS 27 2HG LYS 27 -1.042 14.075 -0.549 201 2HG LYS 27 3HG LYS 27 0.420 14.680 0.267 202 1HD LYS 27 2HD LYS 27 1.537 15.070 -1.872 203 2HD LYS 27 3HD LYS 27 0.156 14.454 -2.780 204 1HE LYS 27 2HE LYS 27 0.049 16.867 -0.885 205 2HE LYS 27 3HE LYS 27 0.404 17.011 -2.611 206 1HZ LYS 27 1HZ LYS 27 -2.082 15.881 -1.511 207 2HZ LYS 27 2HZ LYS 27 -1.908 17.397 -2.122 208 3HZ LYS 27 3HZ LYS 27 -1.731 16.095 -3.106 209 H LEU 28 H LEU 28 -0.687 10.013 1.497 210 HA LEU 28 HA LEU 28 -3.053 11.547 2.342 211 1HB LEU 28 2HB LEU 28 -2.471 8.613 2.426 212 2HB LEU 28 3HB LEU 28 -3.957 9.453 2.793 213 HG LEU 28 HG LEU 28 -2.697 9.045 0.084 214 1HD1 LEU 28 1HD1 LEU 28 -5.496 8.876 1.213 215 2HD1 LEU 28 2HD1 LEU 28 -5.000 8.345 -0.411 216 3HD1 LEU 28 3HD1 LEU 28 -4.376 7.501 1.027 217 1HD2 LEU 28 1HD2 LEU 28 -4.768 11.200 0.712 218 2HD2 LEU 28 2HD2 LEU 28 -3.150 11.463 0.007 219 3HD2 LEU 28 3HD2 LEU 28 -4.381 10.595 -0.910 220 H GLN 29 H GLN 29 -3.414 12.067 4.433 221 HA GLN 29 HA GLN 29 -1.589 11.372 6.552 222 1HB GLN 29 2HB GLN 29 -2.883 13.402 6.709 223 2HB GLN 29 3HB GLN 29 -4.415 12.535 6.487 224 1HG GLN 29 2HG GLN 29 -4.231 11.463 8.651 225 2HG GLN 29 3HG GLN 29 -2.581 12.082 8.870 226 1HE2 GLN 29 2HE2 GLN 29 -4.023 12.707 10.961 227 2HE2 GLN 29 1HE2 GLN 29 -4.621 14.355 10.881 228 H GLY 30 H GLY 30 -1.643 9.610 7.891 229 1HA GLY 30 1HA GLY 30 -3.283 7.951 8.993 230 2HA GLY 30 2HA GLY 30 -3.695 7.526 7.331 231 H VAL 31 H VAL 31 -0.781 8.117 6.616 232 HA VAL 31 HA VAL 31 0.131 5.377 7.158 233 HB VAL 31 HB VAL 31 0.339 7.401 4.897 234 1HG1 VAL 31 1HG1 VAL 31 1.906 5.919 3.674 235 2HG1 VAL 31 2HG1 VAL 31 2.660 6.680 5.078 236 3HG1 VAL 31 3HG1 VAL 31 2.139 4.979 5.160 237 1HG2 VAL 31 1HG2 VAL 31 -0.348 4.427 4.945 238 2HG2 VAL 31 2HG2 VAL 31 -1.538 5.745 4.988 239 3HG2 VAL 31 3HG2 VAL 31 -0.509 5.534 3.569 240 H GLN 32 H GLN 32 2.178 4.898 7.876 241 HA GLN 32 HA GLN 32 3.799 7.185 8.873 242 1HB GLN 32 2HB GLN 32 4.745 5.813 10.440 243 2HB GLN 32 3HB GLN 32 2.988 5.706 10.556 244 1HG GLN 32 2HG GLN 32 3.171 3.532 10.554 245 2HG GLN 32 3HG GLN 32 3.818 3.573 8.923 246 1HE2 GLN 32 2HE2 GLN 32 4.851 3.504 12.456 247 2HE2 GLN 32 1HE2 GLN 32 6.437 2.947 12.045 248 H ARG 33 H ARG 33 3.797 4.344 6.733 249 HA ARG 33 HA ARG 33 6.133 5.239 5.298 250 1HB ARG 33 2HB ARG 33 6.885 4.044 7.538 251 2HB ARG 33 3HB ARG 33 6.540 2.562 6.649 252 1HG ARG 33 2HG ARG 33 8.195 3.293 4.911 253 2HG ARG 33 3HG ARG 33 8.426 4.811 5.796 254 1HD ARG 33 2HD ARG 33 9.043 1.983 6.760 255 2HD ARG 33 3HD ARG 33 10.244 3.195 6.334 256 HE ARG 33 HE ARG 33 8.671 2.928 8.802 257 1HH1 ARG 33 1HH2 ARG 33 10.347 5.299 6.820 258 2HH1 ARG 33 2HH2 ARG 33 10.704 6.393 8.122 259 1HH2 ARG 33 1HH1 ARG 33 9.131 4.323 10.565 260 2HH2 ARG 33 2HH1 ARG 33 9.992 5.809 10.319 261 H ILE 34 H ILE 34 6.677 3.550 3.593 262 HA ILE 34 HA ILE 34 4.594 1.765 2.801 263 HB ILE 34 HB ILE 34 3.529 3.763 2.214 264 1HG1 ILE 34 2HG1 ILE 34 5.040 3.056 -0.282 265 2HG1 ILE 34 3HG1 ILE 34 3.860 1.972 0.419 266 1HG2 ILE 34 1HG2 ILE 34 6.149 5.001 1.908 267 2HG2 ILE 34 2HG2 ILE 34 5.166 5.301 0.484 268 3HG2 ILE 34 3HG2 ILE 34 4.536 5.730 2.069 269 1HD1 ILE 34 1HD1 ILE 34 3.143 4.830 -0.350 270 2HD1 ILE 34 2HD1 ILE 34 2.892 3.418 -1.403 271 3HD1 ILE 34 3HD1 ILE 34 2.068 3.531 0.164 272 H LYS 35 H LYS 35 5.479 0.395 1.266 273 HA LYS 35 HA LYS 35 8.112 0.930 0.199 274 1HB LYS 35 2HB LYS 35 7.722 -1.049 2.402 275 2HB LYS 35 3HB LYS 35 8.687 -1.550 1.015 276 1HG LYS 35 2HG LYS 35 9.236 0.888 2.725 277 2HG LYS 35 3HG LYS 35 9.980 -0.706 2.906 278 1HD LYS 35 2HD LYS 35 10.735 -0.485 0.425 279 2HD LYS 35 3HD LYS 35 10.176 1.180 0.537 280 1HE LYS 35 2HE LYS 35 12.485 1.331 0.930 281 2HE LYS 35 3HE LYS 35 11.743 1.504 2.524 282 1HZ LYS 35 1HZ LYS 35 12.957 -0.949 1.407 283 2HZ LYS 35 2HZ LYS 35 13.612 0.010 2.568 284 3HZ LYS 35 3HZ LYS 35 12.250 -0.853 2.890 285 H VAL 36 H VAL 36 7.416 0.914 -1.879 286 HA VAL 36 HA VAL 36 5.728 -1.303 -2.773 287 HB VAL 36 HB VAL 36 6.552 1.234 -4.229 288 1HG1 VAL 36 1HG1 VAL 36 4.520 0.615 -5.591 289 2HG1 VAL 36 2HG1 VAL 36 5.797 -0.617 -5.717 290 3HG1 VAL 36 3HG1 VAL 36 4.389 -0.893 -4.689 291 1HG2 VAL 36 1HG2 VAL 36 4.357 2.049 -3.640 292 2HG2 VAL 36 2HG2 VAL 36 3.985 0.582 -2.706 293 3HG2 VAL 36 3HG2 VAL 36 5.237 1.710 -2.155 294 H SER 37 H SER 37 6.812 -3.185 -3.295 295 HA SER 37 HA SER 37 9.491 -3.051 -4.523 296 1HB SER 37 2HB SER 37 7.981 -5.462 -3.674 297 2HB SER 37 3HB SER 37 9.721 -5.290 -3.909 298 HG SER 37 HG SER 37 8.363 -4.969 -1.678 299 H LEU 38 H LEU 38 9.760 -3.355 -6.709 300 HA LEU 38 HA LEU 38 7.462 -4.110 -8.357 301 1HB LEU 38 2HB LEU 38 8.447 -3.017 -10.017 302 2HB LEU 38 3HB LEU 38 9.434 -2.333 -8.737 303 HG LEU 38 HG LEU 38 11.106 -4.257 -9.310 304 1HD1 LEU 38 1HD1 LEU 38 9.236 -5.287 -10.982 305 2HD1 LEU 38 2HD1 LEU 38 9.884 -4.064 -12.071 306 3HD1 LEU 38 3HD1 LEU 38 10.955 -5.306 -11.408 307 1HD2 LEU 38 1HD2 LEU 38 10.578 -1.935 -11.191 308 2HD2 LEU 38 2HD2 LEU 38 11.586 -1.927 -9.728 309 3HD2 LEU 38 3HD2 LEU 38 12.076 -2.890 -11.133 310 H ASP 39 H ASP 39 10.681 -5.448 -7.516 311 HA ASP 39 HA ASP 39 10.989 -7.466 -9.242 312 1HB ASP 39 2HB ASP 39 11.542 -7.807 -6.253 313 2HB ASP 39 3HB ASP 39 12.374 -8.547 -7.600 314 H ASN 40 H ASN 40 9.555 -7.894 -6.030 315 HA ASN 40 HA ASN 40 8.511 -10.482 -6.813 316 1HB ASN 40 2HB ASN 40 9.742 -9.915 -4.663 317 2HB ASN 40 3HB ASN 40 8.146 -9.401 -4.089 318 1HD2 ASN 40 2HD2 ASN 40 10.084 -11.782 -3.492 319 2HD2 ASN 40 1HD2 ASN 40 9.040 -13.185 -3.636 320 H GLN 41 H GLN 41 7.448 -7.757 -7.742 321 HA GLN 41 HA GLN 41 5.758 -6.312 -7.606 322 1HB GLN 41 2HB GLN 41 5.535 -8.556 -9.209 323 2HB GLN 41 3HB GLN 41 3.912 -8.429 -8.578 324 1HG GLN 41 2HG GLN 41 3.632 -6.260 -9.597 325 2HG GLN 41 3HG GLN 41 5.366 -5.972 -9.690 326 1HE2 GLN 41 2HE2 GLN 41 6.665 -7.428 -11.105 327 2HE2 GLN 41 1HE2 GLN 41 5.943 -7.805 -12.663 328 H GLU 42 H GLU 42 5.902 -6.090 -5.291 329 HA GLU 42 HA GLU 42 3.362 -6.794 -3.953 330 1HB GLU 42 2HB GLU 42 4.822 -8.627 -3.390 331 2HB GLU 42 3HB GLU 42 6.085 -7.506 -2.826 332 1HG GLU 42 2HG GLU 42 4.676 -6.727 -1.028 333 2HG GLU 42 3HG GLU 42 3.280 -7.628 -1.648 334 H ALA 43 H ALA 43 2.601 -5.170 -2.958 335 HA ALA 43 HA ALA 43 4.237 -2.728 -2.491 336 1HB ALA 43 1HB ALA 43 1.865 -1.654 -2.451 337 2HB ALA 43 2HB ALA 43 2.628 -2.086 -3.994 338 3HB ALA 43 3HB ALA 43 1.393 -3.126 -3.336 339 H THR 44 H THR 44 4.916 -2.544 -0.481 340 HA THR 44 HA THR 44 3.412 -3.515 1.849 341 HB THR 44 HB THR 44 5.867 -1.724 1.743 342 HG1 THR 44 1HG THR 44 6.500 -3.371 0.562 343 1HG2 THR 44 1HG2 THR 44 4.852 -3.706 3.823 344 2HG2 THR 44 2HG2 THR 44 6.402 -2.848 3.901 345 3HG2 THR 44 3HG2 THR 44 4.881 -1.941 3.949 346 H ILE 45 H ILE 45 2.033 -2.111 2.975 347 HA ILE 45 HA ILE 45 2.467 0.827 2.635 348 HB ILE 45 HB ILE 45 -0.263 -0.444 2.842 349 1HG1 ILE 45 2HG1 ILE 45 0.832 -1.074 0.616 350 2HG1 ILE 45 3HG1 ILE 45 -0.734 -0.268 0.580 351 1HG2 ILE 45 1HG2 ILE 45 -0.133 1.838 3.654 352 2HG2 ILE 45 2HG2 ILE 45 0.760 2.362 2.224 353 3HG2 ILE 45 3HG2 ILE 45 -0.943 1.887 2.075 354 1HD1 ILE 45 1HD1 ILE 45 1.913 1.108 0.101 355 2HD1 ILE 45 2HD1 ILE 45 0.827 0.516 -1.162 356 3HD1 ILE 45 3HD1 ILE 45 0.297 1.823 -0.099 357 H VAL 46 H VAL 46 2.824 1.699 4.655 358 HA VAL 46 HA VAL 46 2.120 -0.034 6.991 359 HB VAL 46 HB VAL 46 4.294 2.043 7.069 360 1HG1 VAL 46 1HG1 VAL 46 3.466 1.135 9.186 361 2HG1 VAL 46 2HG1 VAL 46 3.692 -0.514 8.598 362 3HG1 VAL 46 3HG1 VAL 46 5.101 0.533 8.855 363 1HG2 VAL 46 1HG2 VAL 46 5.868 0.085 6.633 364 2HG2 VAL 46 2HG2 VAL 46 4.453 -0.789 6.008 365 3HG2 VAL 46 3HG2 VAL 46 5.008 0.686 5.209 366 H TYR 47 H TYR 47 0.413 0.662 8.118 367 HA TYR 47 HA TYR 47 -0.194 3.581 8.109 368 1HB TYR 47 2HB TYR 47 -2.361 3.238 7.394 369 2HB TYR 47 3HB TYR 47 -1.400 2.222 6.342 370 HD1 TYR 47 1HD TYR 47 -1.207 -0.358 7.114 371 HD2 TYR 47 2HD TYR 47 -4.219 2.367 8.576 372 HE1 TYR 47 1HE TYR 47 -2.710 -2.257 7.571 373 HE2 TYR 47 2HE TYR 47 -5.748 0.463 8.950 374 HH TYR 47 HH TYR 47 -4.814 -2.912 8.249 375 H GLN 48 H GLN 48 -1.909 4.232 9.516 376 HA GLN 48 HA GLN 48 -1.600 2.972 12.167 377 1HB GLN 48 2HB GLN 48 -0.941 5.241 11.879 378 2HB GLN 48 3HB GLN 48 -2.518 5.695 11.247 379 1HG GLN 48 2HG GLN 48 -3.622 5.206 13.363 380 2HG GLN 48 3HG GLN 48 -2.186 4.380 13.997 381 1HE2 GLN 48 2HE2 GLN 48 -3.524 6.386 15.460 382 2HE2 GLN 48 1HE2 GLN 48 -2.420 7.745 15.581 383 HA PRO 49 HA PRO 49 -5.801 1.435 11.115 384 1HB PRO 49 2HB PRO 49 -6.094 -0.450 13.042 385 2HB PRO 49 3HB PRO 49 -4.992 -0.668 11.653 386 1HG PRO 49 2HG PRO 49 -4.264 0.358 14.417 387 2HG PRO 49 3HG PRO 49 -3.517 -0.995 13.535 388 1HD PRO 49 2HD PRO 49 -2.465 1.486 13.475 389 2HD PRO 49 3HD PRO 49 -2.484 0.514 11.971 390 H HIS 50 H HIS 50 -6.434 3.575 11.658 391 HA HIS 50 HA HIS 50 -8.568 3.829 13.443 392 1HB HIS 50 2HB HIS 50 -5.927 4.646 14.642 393 2HB HIS 50 3HB HIS 50 -7.232 5.818 14.771 394 HD1 HIS 50 1HD HIS 50 -5.945 3.047 16.711 395 HD2 HIS 50 2HD HIS 50 -9.712 4.646 15.744 396 HE1 HIS 50 1HE HIS 50 -7.554 2.303 18.556 397 H LEU 51 H LEU 51 -5.825 5.449 11.831 398 HA LEU 51 HA LEU 51 -7.414 7.837 11.231 399 1HB LEU 51 2HB LEU 51 -4.709 6.934 10.417 400 2HB LEU 51 3HB LEU 51 -5.420 8.473 9.892 401 HG LEU 51 HG LEU 51 -4.954 7.678 12.801 402 1HD1 LEU 51 1HD1 LEU 51 -3.357 9.584 11.028 403 2HD1 LEU 51 2HD1 LEU 51 -3.057 9.251 12.746 404 3HD1 LEU 51 3HD1 LEU 51 -2.815 7.977 11.543 405 1HD2 LEU 51 1HD2 LEU 51 -6.730 9.352 12.658 406 2HD2 LEU 51 2HD2 LEU 51 -5.255 10.139 13.213 407 3HD2 LEU 51 3HD2 LEU 51 -5.768 10.327 11.524 408 H ILE 52 H ILE 52 -5.876 5.214 9.270 409 HA ILE 52 HA ILE 52 -8.024 5.484 7.271 410 HB ILE 52 HB ILE 52 -5.314 6.229 7.053 411 1HG1 ILE 52 2HG1 ILE 52 -5.884 6.360 4.579 412 2HG1 ILE 52 3HG1 ILE 52 -7.422 5.599 5.066 413 1HG2 ILE 52 1HG2 ILE 52 -4.225 4.847 5.490 414 2HG2 ILE 52 2HG2 ILE 52 -4.634 3.851 6.885 415 3HG2 ILE 52 3HG2 ILE 52 -5.586 3.720 5.376 416 1HD1 ILE 52 1HD1 ILE 52 -6.404 8.187 6.310 417 2HD1 ILE 52 2HD1 ILE 52 -7.410 8.167 4.852 418 3HD1 ILE 52 3HD1 ILE 52 -8.051 7.536 6.374 419 H SER 53 H SER 53 -8.070 3.517 5.798 420 HA SER 53 HA SER 53 -7.736 1.015 7.376 421 1HB SER 53 2HB SER 53 -9.988 0.379 6.604 422 2HB SER 53 3HB SER 53 -10.059 1.890 7.528 423 HG SER 53 HG SER 53 -11.234 2.108 5.592 424 H VAL 54 H VAL 54 -7.918 -0.894 5.980 425 HA VAL 54 HA VAL 54 -6.245 -1.076 3.782 426 HB VAL 54 HB VAL 54 -8.717 -2.673 4.514 427 1HG1 VAL 54 1HG1 VAL 54 -8.317 -3.147 2.191 428 2HG1 VAL 54 2HG1 VAL 54 -6.567 -3.250 2.460 429 3HG1 VAL 54 3HG1 VAL 54 -7.669 -4.492 3.121 430 1HG2 VAL 54 1HG2 VAL 54 -7.119 -2.857 6.279 431 2HG2 VAL 54 2HG2 VAL 54 -6.888 -4.313 5.295 432 3HG2 VAL 54 3HG2 VAL 54 -5.766 -2.951 5.145 433 H GLU 55 H GLU 55 -9.767 -0.416 3.797 434 HA GLU 55 HA GLU 55 -10.143 -0.738 1.034 435 1HB GLU 55 2HB GLU 55 -11.943 -0.717 2.715 436 2HB GLU 55 3HB GLU 55 -11.710 1.032 2.855 437 1HG GLU 55 2HG GLU 55 -13.082 1.309 1.090 438 2HG GLU 55 3HG GLU 55 -12.022 0.318 0.072 439 H GLU 56 H GLU 56 -9.019 2.163 2.833 440 HA GLU 56 HA GLU 56 -9.499 4.029 0.753 441 1HB GLU 56 2HB GLU 56 -9.027 4.246 3.379 442 2HB GLU 56 3HB GLU 56 -7.343 4.365 2.848 443 1HG GLU 56 2HG GLU 56 -9.684 6.101 1.890 444 2HG GLU 56 3HG GLU 56 -8.510 6.549 3.130 445 H MET 57 H MET 57 -6.639 2.052 1.843 446 HA MET 57 HA MET 57 -4.820 2.773 -0.110 447 1HB MET 57 2HB MET 57 -5.204 -0.014 0.881 448 2HB MET 57 3HB MET 57 -3.776 0.780 0.275 449 1HG MET 57 2HG MET 57 -3.788 2.305 2.229 450 2HG MET 57 3HG MET 57 -5.119 1.355 2.926 451 1HE MET 57 1HE MET 57 -3.668 0.897 5.122 452 2HE MET 57 2HE MET 57 -1.952 0.401 4.970 453 3HE MET 57 3HE MET 57 -2.490 1.973 4.323 454 H LYS 58 H LYS 58 -7.123 -0.059 -0.278 455 HA LYS 58 HA LYS 58 -6.451 -0.594 -2.996 456 1HB LYS 58 2HB LYS 58 -7.370 -2.330 -2.269 457 2HB LYS 58 3HB LYS 58 -8.560 -1.564 -1.157 458 1HG LYS 58 2HG LYS 58 -9.961 -1.024 -3.118 459 2HG LYS 58 3HG LYS 58 -8.776 -1.729 -4.221 460 1HD LYS 58 2HD LYS 58 -10.299 -3.281 -2.084 461 2HD LYS 58 3HD LYS 58 -10.754 -3.125 -3.788 462 1HE LYS 58 2HE LYS 58 -8.087 -3.946 -3.981 463 2HE LYS 58 3HE LYS 58 -8.648 -4.835 -2.555 464 1HZ LYS 58 1HZ LYS 58 -9.806 -4.793 -5.259 465 2HZ LYS 58 2HZ LYS 58 -8.980 -6.033 -4.609 466 3HZ LYS 58 3HZ LYS 58 -10.478 -5.643 -4.011 467 H LYS 59 H LYS 59 -9.266 1.251 -1.787 468 HA LYS 59 HA LYS 59 -10.379 1.956 -4.196 469 1HB LYS 59 2HB LYS 59 -11.064 2.480 -1.758 470 2HB LYS 59 3HB LYS 59 -10.156 3.977 -1.948 471 1HG LYS 59 2HG LYS 59 -12.373 2.997 -3.799 472 2HG LYS 59 3HG LYS 59 -12.689 3.946 -2.338 473 1HD LYS 59 2HD LYS 59 -11.670 5.906 -3.186 474 2HD LYS 59 3HD LYS 59 -10.765 5.038 -4.418 475 1HE LYS 59 2HE LYS 59 -12.561 6.241 -5.496 476 2HE LYS 59 3HE LYS 59 -12.770 4.497 -5.681 477 1HZ LYS 59 1HZ LYS 59 -14.207 6.209 -3.756 478 2HZ LYS 59 2HZ LYS 59 -14.829 5.547 -5.128 479 3HZ LYS 59 3HZ LYS 59 -14.382 4.577 -3.881 480 H GLN 60 H GLN 60 -7.743 3.723 -2.457 481 HA GLN 60 HA GLN 60 -7.308 5.654 -4.548 482 1HB GLN 60 2HB GLN 60 -5.460 4.456 -2.489 483 2HB GLN 60 3HB GLN 60 -4.981 5.795 -3.529 484 1HG GLN 60 2HG GLN 60 -7.461 5.927 -1.758 485 2HG GLN 60 3HG GLN 60 -5.846 6.369 -1.204 486 1HE2 GLN 60 2HE2 GLN 60 -7.864 8.153 -1.065 487 2HE2 GLN 60 1HE2 GLN 60 -7.669 9.462 -2.234 488 H ILE 61 H ILE 61 -5.768 2.466 -3.975 489 HA ILE 61 HA ILE 61 -3.872 2.794 -6.109 490 HB ILE 61 HB ILE 61 -4.547 0.442 -4.361 491 1HG1 ILE 61 2HG1 ILE 61 -2.226 2.446 -4.531 492 2HG1 ILE 61 3HG1 ILE 61 -3.538 2.574 -3.379 493 1HG2 ILE 61 1HG2 ILE 61 -3.664 -0.388 -6.520 494 2HG2 ILE 61 2HG2 ILE 61 -2.357 0.813 -6.463 495 3HG2 ILE 61 3HG2 ILE 61 -2.420 -0.524 -5.289 496 1HD1 ILE 61 1HD1 ILE 61 -1.511 0.341 -3.473 497 2HD1 ILE 61 2HD1 ILE 61 -1.665 1.632 -2.270 498 3HD1 ILE 61 3HD1 ILE 61 -2.941 0.406 -2.402 499 H GLU 62 H GLU 62 -6.650 0.391 -5.806 500 HA GLU 62 HA GLU 62 -6.668 -0.399 -8.467 501 1HB GLU 62 2HB GLU 62 -8.363 -0.581 -6.095 502 2HB GLU 62 3HB GLU 62 -9.347 -0.069 -7.419 503 1HG GLU 62 2HG GLU 62 -8.481 -2.078 -8.704 504 2HG GLU 62 3HG GLU 62 -7.532 -2.521 -7.281 505 H ALA 63 H ALA 63 -8.019 2.685 -7.059 506 HA ALA 63 HA ALA 63 -9.459 3.443 -9.363 507 1HB ALA 63 1HB ALA 63 -9.053 5.789 -8.646 508 2HB ALA 63 2HB ALA 63 -9.653 4.753 -7.350 509 3HB ALA 63 3HB ALA 63 -7.921 5.192 -7.423 510 H MET 64 H MET 64 -5.902 3.514 -8.857 511 HA MET 64 HA MET 64 -5.259 5.106 -11.154 512 1HB MET 64 2HB MET 64 -3.733 2.799 -9.915 513 2HB MET 64 3HB MET 64 -3.130 4.016 -11.028 514 1HG MET 64 2HG MET 64 -4.025 4.503 -8.171 515 2HG MET 64 3HG MET 64 -2.395 4.517 -8.830 516 1HE MET 64 1HE MET 64 -3.248 6.817 -7.023 517 2HE MET 64 2HE MET 64 -1.675 6.753 -7.860 518 3HE MET 64 3HE MET 64 -2.663 8.226 -7.952 519 H GLY 65 H GLY 65 -5.896 1.650 -10.575 520 1HA GLY 65 1HA GLY 65 -7.128 0.586 -12.518 521 2HA GLY 65 2HA GLY 65 -5.706 1.001 -13.493 522 H PHE 66 H PHE 66 -4.142 0.507 -10.780 523 HA PHE 66 HA PHE 66 -3.161 -2.022 -11.629 524 1HB PHE 66 2HB PHE 66 -2.721 -0.517 -9.048 525 2HB PHE 66 3HB PHE 66 -1.656 -1.772 -9.711 526 HD1 PHE 66 1HD PHE 66 -1.862 1.624 -9.188 527 HD2 PHE 66 2HD PHE 66 -1.074 -1.130 -12.418 528 HE1 PHE 66 1HE PHE 66 -0.674 3.409 -10.428 529 HE2 PHE 66 2HE PHE 66 0.023 0.698 -13.690 530 HZ PHE 66 HZ PHE 66 0.165 2.973 -12.719 531 HA PRO 67 HA PRO 67 -6.178 -4.240 -8.981 532 1HB PRO 67 2HB PRO 67 -5.601 -6.810 -9.680 533 2HB PRO 67 3HB PRO 67 -6.509 -5.709 -10.759 534 1HG PRO 67 2HG PRO 67 -3.551 -6.341 -10.819 535 2HG PRO 67 3HG PRO 67 -4.690 -6.361 -12.197 536 1HD PRO 67 2HD PRO 67 -3.067 -4.238 -11.641 537 2HD PRO 67 3HD PRO 67 -4.712 -3.993 -12.304 538 H ALA 68 H ALA 68 -5.848 -4.969 -6.880 539 HA ALA 68 HA ALA 68 -3.104 -5.805 -6.115 540 1HB ALA 68 1HB ALA 68 -3.195 -4.412 -4.163 541 2HB ALA 68 2HB ALA 68 -3.299 -3.408 -5.628 542 3HB ALA 68 3HB ALA 68 -4.760 -3.721 -4.657 543 H PHE 69 H PHE 69 -2.964 -7.368 -4.612 544 HA PHE 69 HA PHE 69 -5.443 -8.432 -3.285 545 1HB PHE 69 2HB PHE 69 -2.990 -9.738 -4.318 546 2HB PHE 69 3HB PHE 69 -4.044 -10.525 -3.166 547 HD1 PHE 69 1HD PHE 69 -6.388 -11.105 -3.748 548 HD2 PHE 69 2HD PHE 69 -3.569 -9.695 -6.704 549 HE1 PHE 69 1HE PHE 69 -7.688 -12.231 -5.532 550 HE2 PHE 69 2HE PHE 69 -4.886 -10.804 -8.478 551 HZ PHE 69 HZ PHE 69 -6.936 -12.093 -7.898 552 H VAL 70 H VAL 70 -5.024 -6.710 -1.753 553 HA VAL 70 HA VAL 70 -3.050 -6.754 0.321 554 HB VAL 70 HB VAL 70 -4.382 -5.005 0.541 555 1HG1 VAL 70 1HG1 VAL 70 -6.761 -6.782 0.010 556 2HG1 VAL 70 2HG1 VAL 70 -6.890 -5.111 0.615 557 3HG1 VAL 70 3HG1 VAL 70 -6.146 -5.413 -0.957 558 1HG2 VAL 70 1HG2 VAL 70 -4.097 -6.276 2.691 559 2HG2 VAL 70 2HG2 VAL 70 -5.521 -5.230 2.647 560 3HG2 VAL 70 3HG2 VAL 70 -5.725 -6.957 2.461 561 H LYS 71 H LYS 71 -2.340 -8.727 1.168 562 HA LYS 71 HA LYS 71 -4.299 -10.157 2.741 563 1HB LYS 71 2HB LYS 71 -3.887 -12.306 1.928 564 2HB LYS 71 3HB LYS 71 -4.687 -11.272 0.734 565 1HG LYS 71 2HG LYS 71 -2.380 -10.830 -0.202 566 2HG LYS 71 3HG LYS 71 -1.825 -12.153 0.831 567 1HD LYS 71 2HD LYS 71 -3.882 -13.472 -0.242 568 2HD LYS 71 3HD LYS 71 -3.753 -12.259 -1.524 569 1HE LYS 71 2HE LYS 71 -1.337 -12.968 -1.847 570 2HE LYS 71 3HE LYS 71 -1.575 -14.200 -0.591 571 1HZ LYS 71 1HZ LYS 71 -2.975 -14.081 -3.183 572 2HZ LYS 71 2HZ LYS 71 -1.828 -15.166 -2.737 573 3HZ LYS 71 3HZ LYS 71 -3.291 -15.177 -1.997 574 H LYS 72 H LYS 72 -2.639 -8.667 4.023 575 HA LYS 72 HA LYS 72 -1.075 -10.599 5.473 576 1HB LYS 72 2HB LYS 72 0.365 -9.422 3.473 577 2HB LYS 72 3HB LYS 72 0.470 -8.159 4.706 578 1HG LYS 72 2HG LYS 72 2.398 -9.412 5.075 579 2HG LYS 72 3HG LYS 72 1.316 -10.038 6.295 580 1HD LYS 72 2HD LYS 72 1.638 -12.092 5.504 581 2HD LYS 72 3HD LYS 72 0.834 -11.661 3.987 582 1HE LYS 72 2HE LYS 72 2.939 -11.059 2.936 583 2HE LYS 72 3HE LYS 72 3.793 -11.055 4.466 584 1HZ LYS 72 1HZ LYS 72 2.767 -13.465 3.188 585 2HZ LYS 72 2HZ LYS 72 4.341 -12.998 3.367 586 3HZ LYS 72 3HZ LYS 72 3.455 -13.383 4.684 587 H ILE 73 H ILE 73 -0.439 -9.630 7.575 588 HA ILE 73 HA ILE 73 -1.229 -6.884 8.168 589 HB ILE 73 HB ILE 73 -3.336 -8.111 8.333 590 1HG1 ILE 73 2HG1 ILE 73 -3.347 -7.696 11.126 591 2HG1 ILE 73 3HG1 ILE 73 -2.155 -6.560 10.493 592 1HG2 ILE 73 1HG2 ILE 73 -3.818 -9.800 9.951 593 2HG2 ILE 73 2HG2 ILE 73 -2.527 -10.364 8.887 594 3HG2 ILE 73 3HG2 ILE 73 -2.151 -9.826 10.537 595 1HD1 ILE 73 1HD1 ILE 73 -5.024 -6.879 9.506 596 2HD1 ILE 73 2HD1 ILE 73 -4.398 -5.557 10.509 597 3HD1 ILE 73 3HD1 ILE 73 -3.830 -5.743 8.834 598 H GLU 74 H GLU 74 1.219 -7.494 8.019 599 HA GLU 74 HA GLU 74 2.284 -9.001 10.313 600 1HB GLU 74 2HB GLU 74 3.111 -8.489 7.618 601 2HB GLU 74 3HB GLU 74 4.362 -7.820 8.660 602 1HG GLU 74 2HG GLU 74 4.656 -9.934 9.788 603 2HG GLU 74 3HG GLU 74 3.278 -10.645 8.923 604 H GLY 75 H GLY 75 1.191 -7.340 11.723 605 1HA GLY 75 1HA GLY 75 2.119 -4.669 11.866 606 2HA GLY 75 2HA GLY 75 1.334 -5.549 13.187 607 H ARG 76 H ARG 76 3.434 -3.581 13.324 608 HA ARG 76 HA ARG 76 4.769 -3.156 15.033 609 1HB ARG 76 2HB ARG 76 4.198 -5.607 15.912 610 2HB ARG 76 3HB ARG 76 5.833 -5.948 15.339 611 1HG ARG 76 2HG ARG 76 6.105 -3.544 16.795 612 2HG ARG 76 3HG ARG 76 4.844 -4.411 17.679 613 1HD ARG 76 2HD ARG 76 6.890 -5.146 18.691 614 2HD ARG 76 3HD ARG 76 6.433 -6.452 17.609 615 HE ARG 76 HE ARG 76 8.116 -5.861 16.076 616 1HH1 ARG 76 1HH2 ARG 76 7.779 -3.291 18.399 617 2HH1 ARG 76 2HH2 ARG 76 9.290 -2.515 18.034 618 1HH2 ARG 76 1HH1 ARG 76 10.119 -4.912 15.544 619 2HH2 ARG 76 2HH1 ARG 76 10.691 -3.505 16.383 Start of MODEL 10 1 1H GLY 1 1H GLY 1 2.119 -1.049 16.025 2 2H GLY 1 2H GLY 1 2.256 -0.789 17.665 3 3H GLY 1 3H GLY 1 0.789 -0.649 16.896 4 1HA GLY 1 1HA GLY 1 1.625 1.521 17.355 5 2HA GLY 1 2HA GLY 1 3.090 1.099 16.440 6 H GLU 2 H GLU 2 3.027 1.048 14.253 7 HA GLU 2 HA GLU 2 0.709 1.838 12.676 8 1HB GLU 2 2HB GLU 2 2.191 0.995 10.779 9 2HB GLU 2 3HB GLU 2 2.830 2.320 11.737 10 1HG GLU 2 2HG GLU 2 3.647 -0.472 12.503 11 2HG GLU 2 3HG GLU 2 4.413 0.330 11.133 12 H VAL 3 H VAL 3 0.055 0.313 10.887 13 HA VAL 3 HA VAL 3 0.004 -2.564 11.571 14 HB VAL 3 HB VAL 3 -1.983 -1.096 9.787 15 1HG1 VAL 3 1HG1 VAL 3 -1.668 -3.553 9.536 16 2HG1 VAL 3 2HG1 VAL 3 -2.149 -3.760 11.234 17 3HG1 VAL 3 3HG1 VAL 3 -3.305 -3.102 10.048 18 1HG2 VAL 3 1HG2 VAL 3 -2.574 -0.084 11.769 19 2HG2 VAL 3 2HG2 VAL 3 -3.602 -1.518 11.789 20 3HG2 VAL 3 3HG2 VAL 3 -2.130 -1.484 12.785 21 H VAL 4 H VAL 4 1.025 -3.747 9.973 22 HA VAL 4 HA VAL 4 1.836 -2.463 7.413 23 HB VAL 4 HB VAL 4 3.198 -4.204 9.259 24 1HG1 VAL 4 1HG1 VAL 4 4.080 -5.908 7.701 25 2HG1 VAL 4 2HG1 VAL 4 2.359 -6.155 7.966 26 3HG1 VAL 4 3HG1 VAL 4 2.924 -5.401 6.455 27 1HG2 VAL 4 1HG2 VAL 4 4.191 -2.309 8.083 28 2HG2 VAL 4 2HG2 VAL 4 5.117 -3.793 7.864 29 3HG2 VAL 4 3HG2 VAL 4 4.072 -3.220 6.549 30 H LEU 5 H LEU 5 0.748 -3.070 5.609 31 HA LEU 5 HA LEU 5 -0.843 -5.619 5.629 32 1HB LEU 5 2HB LEU 5 -1.457 -2.840 4.676 33 2HB LEU 5 3HB LEU 5 -1.990 -4.177 3.652 34 HG LEU 5 HG LEU 5 -3.700 -3.295 5.270 35 1HD1 LEU 5 1HD1 LEU 5 -4.616 -5.186 4.672 36 2HD1 LEU 5 2HD1 LEU 5 -3.076 -6.074 4.688 37 3HD1 LEU 5 3HD1 LEU 5 -4.030 -5.878 6.180 38 1HD2 LEU 5 1HD2 LEU 5 -3.648 -3.738 7.549 39 2HD2 LEU 5 2HD2 LEU 5 -2.279 -4.853 7.406 40 3HD2 LEU 5 3HD2 LEU 5 -2.027 -3.103 7.180 41 H LYS 6 H LYS 6 -0.540 -6.872 3.758 42 HA LYS 6 HA LYS 6 1.613 -6.010 1.899 43 1HB LYS 6 2HB LYS 6 1.891 -8.011 3.846 44 2HB LYS 6 3HB LYS 6 1.340 -8.900 2.419 45 1HG LYS 6 2HG LYS 6 3.548 -9.031 2.113 46 2HG LYS 6 3HG LYS 6 3.247 -7.535 1.211 47 1HD LYS 6 2HD LYS 6 3.889 -6.195 3.185 48 2HD LYS 6 3HD LYS 6 4.133 -7.654 4.150 49 1HE LYS 6 2HE LYS 6 5.706 -6.878 1.651 50 2HE LYS 6 3HE LYS 6 6.272 -6.714 3.327 51 1HZ LYS 6 1HZ LYS 6 5.760 -9.124 1.745 52 2HZ LYS 6 2HZ LYS 6 7.173 -8.657 2.389 53 3HZ LYS 6 3HZ LYS 6 5.984 -9.218 3.394 54 H MET 7 H MET 7 0.643 -5.824 -0.057 55 HA MET 7 HA MET 7 -1.527 -7.702 -0.758 56 1HB MET 7 2HB MET 7 -2.392 -5.772 -2.176 57 2HB MET 7 3HB MET 7 -2.593 -5.619 -0.429 58 1HG MET 7 2HG MET 7 -0.841 -4.184 -0.119 59 2HG MET 7 3HG MET 7 -0.410 -4.254 -1.850 60 1HE MET 7 1HE MET 7 -3.522 -3.607 0.510 61 2HE MET 7 2HE MET 7 -2.300 -2.391 0.919 62 3HE MET 7 3HE MET 7 -3.820 -1.899 0.134 63 H LYS 8 H LYS 8 -1.339 -8.713 -2.666 64 HA LYS 8 HA LYS 8 1.259 -8.397 -4.112 65 1HB LYS 8 2HB LYS 8 -0.967 -10.475 -4.331 66 2HB LYS 8 3HB LYS 8 0.354 -10.284 -5.483 67 1HG LYS 8 2HG LYS 8 1.184 -11.862 -4.182 68 2HG LYS 8 3HG LYS 8 1.938 -10.405 -3.500 69 1HD LYS 8 2HD LYS 8 0.541 -10.470 -1.544 70 2HD LYS 8 3HD LYS 8 -0.615 -11.570 -2.311 71 1HE LYS 8 2HE LYS 8 0.783 -12.764 -0.650 72 2HE LYS 8 3HE LYS 8 0.997 -13.411 -2.287 73 1HZ LYS 8 1HZ LYS 8 2.830 -11.508 -0.967 74 2HZ LYS 8 2HZ LYS 8 3.117 -13.114 -1.151 75 3HZ LYS 8 3HZ LYS 8 3.035 -12.110 -2.451 76 H VAL 9 H VAL 9 1.303 -6.999 -5.770 77 HA VAL 9 HA VAL 9 -1.220 -6.422 -7.209 78 HB VAL 9 HB VAL 9 -0.719 -4.683 -5.421 79 1HG1 VAL 9 1HG1 VAL 9 1.752 -4.675 -5.544 80 2HG1 VAL 9 2HG1 VAL 9 1.673 -4.050 -7.202 81 3HG1 VAL 9 3HG1 VAL 9 1.076 -3.063 -5.863 82 1HG2 VAL 9 1HG2 VAL 9 -2.090 -4.167 -7.342 83 2HG2 VAL 9 2HG2 VAL 9 -1.084 -2.769 -6.937 84 3HG2 VAL 9 3HG2 VAL 9 -0.647 -3.811 -8.310 85 H GLU 10 H GLU 10 -0.927 -6.107 -9.438 86 HA GLU 10 HA GLU 10 1.337 -7.381 -10.492 87 1HB GLU 10 2HB GLU 10 -0.557 -5.394 -11.837 88 2HB GLU 10 3HB GLU 10 0.671 -6.308 -12.716 89 1HG GLU 10 2HG GLU 10 -1.600 -7.582 -11.140 90 2HG GLU 10 3HG GLU 10 -1.537 -7.375 -12.897 91 H GLY 11 H GLY 11 3.110 -6.724 -11.680 92 1HA GLY 11 1HA GLY 11 4.563 -4.692 -10.257 93 2HA GLY 11 2HA GLY 11 5.181 -5.741 -11.539 94 H MET 12 H MET 12 2.514 -3.415 -11.655 95 HA MET 12 HA MET 12 2.021 -1.752 -13.126 96 1HB MET 12 2HB MET 12 4.667 -0.669 -12.117 97 2HB MET 12 3HB MET 12 3.142 0.166 -12.496 98 1HG MET 12 2HG MET 12 3.128 0.144 -10.194 99 2HG MET 12 3HG MET 12 2.118 -1.249 -10.587 100 1HE MET 12 1HE MET 12 3.287 -0.732 -7.675 101 2HE MET 12 2HE MET 12 2.280 -2.104 -8.194 102 3HE MET 12 3HE MET 12 3.788 -2.399 -7.285 103 H THR 13 H THR 13 4.244 0.026 -14.156 104 HA THR 13 HA THR 13 5.116 -1.540 -16.539 105 HB THR 13 HB THR 13 4.226 1.351 -16.393 106 HG1 THR 13 1HG THR 13 2.991 -1.072 -17.043 107 1HG2 THR 13 1HG2 THR 13 5.066 -0.406 -18.736 108 2HG2 THR 13 2HG2 THR 13 4.315 1.201 -18.873 109 3HG2 THR 13 3HG2 THR 13 5.913 1.035 -18.126 110 H CYS 14 HN CYS 14 5.893 1.163 -14.233 111 HA CYS 14 HA CYS 14 8.749 0.687 -14.545 112 1HB CYS 14 2HB CYS 14 8.942 3.173 -15.310 113 2HB CYS 14 3HB CYS 14 8.517 1.964 -16.518 114 H HIS 15 H HIS 15 9.946 2.219 -13.176 115 HA HIS 15 HA HIS 15 8.983 2.298 -10.604 116 1HB HIS 15 2HB HIS 15 10.893 3.511 -9.995 117 2HB HIS 15 3HB HIS 15 11.387 2.511 -11.361 118 HD1 HIS 15 1HD HIS 15 11.036 4.172 -13.852 119 HD2 HIS 15 2HD HIS 15 11.706 5.942 -10.091 120 HE1 HIS 15 1HE HIS 15 11.800 6.559 -14.293 121 H SER 16 H SER 16 8.411 4.712 -13.125 122 HA SER 16 HA SER 16 7.555 6.906 -11.626 123 1HB SER 16 2HB SER 16 6.327 5.744 -14.168 124 2HB SER 16 3HB SER 16 6.116 7.392 -13.553 125 HG SER 16 HG SER 16 7.803 7.301 -15.088 126 H CYS 17 HN CYS 17 5.862 3.798 -12.331 127 HA CYS 17 HA CYS 17 3.300 4.663 -11.361 128 1HB CYS 17 2HB CYS 17 4.463 1.879 -11.659 129 2HB CYS 17 3HB CYS 17 2.748 2.305 -11.578 130 H THR 18 H THR 18 5.886 2.556 -9.987 131 HA THR 18 HA THR 18 4.677 2.063 -7.488 132 HB THR 18 HB THR 18 6.986 1.582 -6.697 133 HG1 THR 18 1HG THR 18 8.696 1.915 -8.057 134 1HG2 THR 18 1HG2 THR 18 6.483 0.486 -9.511 135 2HG2 THR 18 2HG2 THR 18 7.505 -0.235 -8.250 136 3HG2 THR 18 3HG2 THR 18 5.755 -0.130 -8.014 137 H SER 19 H SER 19 7.128 4.490 -8.407 138 HA SER 19 HA SER 19 7.222 5.871 -5.969 139 1HB SER 19 2HB SER 19 8.818 6.128 -7.879 140 2HB SER 19 3HB SER 19 7.574 6.994 -8.804 141 HG SER 19 HG SER 19 9.041 8.394 -7.696 142 H THR 20 H THR 20 5.020 6.505 -8.798 143 HA THR 20 HA THR 20 3.759 8.780 -7.658 144 HB THR 20 HB THR 20 2.616 6.706 -9.577 145 HG1 THR 20 1HG THR 20 4.372 7.859 -10.380 146 1HG2 THR 20 1HG2 THR 20 1.636 9.513 -8.868 147 2HG2 THR 20 2HG2 THR 20 1.016 8.501 -10.188 148 3HG2 THR 20 3HG2 THR 20 0.775 8.001 -8.508 149 H ILE 21 H ILE 21 2.922 5.238 -7.347 150 HA ILE 21 HA ILE 21 0.689 5.640 -5.591 151 HB ILE 21 HB ILE 21 2.528 3.421 -6.471 152 1HG1 ILE 21 2HG1 ILE 21 -0.474 3.464 -6.119 153 2HG1 ILE 21 3HG1 ILE 21 0.342 4.207 -7.494 154 1HG2 ILE 21 1HG2 ILE 21 1.537 1.868 -4.894 155 2HG2 ILE 21 2HG2 ILE 21 2.520 3.111 -4.114 156 3HG2 ILE 21 3HG2 ILE 21 0.734 3.232 -4.061 157 1HD1 ILE 21 1HD1 ILE 21 0.641 1.260 -6.796 158 2HD1 ILE 21 2HD1 ILE 21 -0.472 1.935 -7.988 159 3HD1 ILE 21 3HD1 ILE 21 1.282 2.109 -8.221 160 H GLU 22 H GLU 22 4.180 5.173 -4.957 161 HA GLU 22 HA GLU 22 3.946 5.144 -2.191 162 1HB GLU 22 2HB GLU 22 6.097 5.143 -4.131 163 2HB GLU 22 3HB GLU 22 6.550 6.201 -2.816 164 1HG GLU 22 2HG GLU 22 6.040 4.420 -1.203 165 2HG GLU 22 3HG GLU 22 5.355 3.403 -2.491 166 H GLY 23 H GLY 23 4.586 7.978 -4.258 167 1HA GLY 23 1HA GLY 23 4.493 9.958 -2.251 168 2HA GLY 23 2HA GLY 23 4.070 10.184 -3.955 169 H LYS 24 H LYS 24 1.844 8.749 -4.379 170 HA LYS 24 HA LYS 24 -0.195 10.428 -3.488 171 1HB LYS 24 2HB LYS 24 -0.117 8.721 -5.459 172 2HB LYS 24 3HB LYS 24 -0.650 7.533 -4.289 173 1HG LYS 24 2HG LYS 24 -2.690 8.129 -5.030 174 2HG LYS 24 3HG LYS 24 -2.550 9.432 -3.848 175 1HD LYS 24 2HD LYS 24 -1.783 10.993 -5.553 176 2HD LYS 24 3HD LYS 24 -1.650 9.730 -6.771 177 1HE LYS 24 2HE LYS 24 -4.299 10.447 -5.429 178 2HE LYS 24 3HE LYS 24 -3.718 11.243 -6.901 179 1HZ LYS 24 1HZ LYS 24 -4.255 8.355 -6.628 180 2HZ LYS 24 2HZ LYS 24 -5.200 9.446 -7.400 181 3HZ LYS 24 3HZ LYS 24 -3.713 9.112 -7.998 182 H ILE 25 H ILE 25 0.648 7.185 -2.384 183 HA ILE 25 HA ILE 25 -1.289 7.030 -0.280 184 HB ILE 25 HB ILE 25 1.229 5.488 -0.748 185 1HG1 ILE 25 2HG1 ILE 25 -0.608 5.210 -2.434 186 2HG1 ILE 25 3HG1 ILE 25 -0.019 3.757 -1.618 187 1HG2 ILE 25 1HG2 ILE 25 -0.862 5.251 1.420 188 2HG2 ILE 25 2HG2 ILE 25 0.122 3.872 0.921 189 3HG2 ILE 25 3HG2 ILE 25 0.909 5.308 1.583 190 1HD1 ILE 25 1HD1 ILE 25 -2.507 5.292 -0.812 191 2HD1 ILE 25 2HD1 ILE 25 -2.473 3.807 -1.787 192 3HD1 ILE 25 3HD1 ILE 25 -1.907 3.771 -0.109 193 H GLY 26 H GLY 26 2.221 7.895 -0.246 194 1HA GLY 26 1HA GLY 26 2.547 8.582 2.427 195 2HA GLY 26 2HA GLY 26 3.297 9.425 1.060 196 H LYS 27 H LYS 27 0.890 10.442 -0.141 197 HA LYS 27 HA LYS 27 0.613 12.821 1.329 198 1HB LYS 27 2HB LYS 27 0.347 12.297 -1.167 199 2HB LYS 27 3HB LYS 27 -1.377 12.107 -0.782 200 1HG LYS 27 2HG LYS 27 -0.751 14.504 0.488 201 2HG LYS 27 3HG LYS 27 0.443 14.490 -0.807 202 1HD LYS 27 2HD LYS 27 -1.306 15.611 -1.821 203 2HD LYS 27 3HD LYS 27 -1.618 13.953 -2.369 204 1HE LYS 27 2HE LYS 27 -3.256 13.676 -0.464 205 2HE LYS 27 3HE LYS 27 -2.890 15.321 0.074 206 1HZ LYS 27 1HZ LYS 27 -4.168 14.607 -2.475 207 2HZ LYS 27 2HZ LYS 27 -4.884 15.301 -1.167 208 3HZ LYS 27 3HZ LYS 27 -3.756 16.137 -2.019 209 H LEU 28 H LEU 28 -1.137 9.805 1.841 210 HA LEU 28 HA LEU 28 -3.701 10.971 2.515 211 1HB LEU 28 2HB LEU 28 -2.604 8.279 3.170 212 2HB LEU 28 3HB LEU 28 -4.255 8.857 3.275 213 HG LEU 28 HG LEU 28 -2.700 8.163 0.818 214 1HD1 LEU 28 1HD1 LEU 28 -4.342 6.697 2.153 215 2HD1 LEU 28 2HD1 LEU 28 -5.602 7.805 1.566 216 3HD1 LEU 28 3HD1 LEU 28 -4.651 6.825 0.416 217 1HD2 LEU 28 1HD2 LEU 28 -4.454 9.169 -0.620 218 2HD2 LEU 28 2HD2 LEU 28 -5.100 10.040 0.784 219 3HD2 LEU 28 3HD2 LEU 28 -3.466 10.395 0.173 220 H GLN 29 H GLN 29 -4.540 11.316 4.519 221 HA GLN 29 HA GLN 29 -2.684 12.011 6.569 222 1HB GLN 29 2HB GLN 29 -4.604 12.973 7.670 223 2HB GLN 29 3HB GLN 29 -4.490 13.410 5.958 224 1HG GLN 29 2HG GLN 29 -6.112 11.134 5.871 225 2HG GLN 29 3HG GLN 29 -6.556 11.820 7.428 226 1HE2 GLN 29 2HE2 GLN 29 -8.729 12.018 6.431 227 2HE2 GLN 29 1HE2 GLN 29 -9.048 13.400 5.397 228 H GLY 30 H GLY 30 -2.034 9.709 6.687 229 1HA GLY 30 1HA GLY 30 -2.862 8.357 9.232 230 2HA GLY 30 2HA GLY 30 -3.676 7.796 7.845 231 H VAL 31 H VAL 31 -0.405 8.627 6.980 232 HA VAL 31 HA VAL 31 0.113 5.713 6.920 233 HB VAL 31 HB VAL 31 0.803 7.945 4.989 234 1HG1 VAL 31 1HG1 VAL 31 1.599 5.002 4.892 235 2HG1 VAL 31 2HG1 VAL 31 1.802 6.183 3.580 236 3HG1 VAL 31 3HG1 VAL 31 2.707 6.385 5.078 237 1HG2 VAL 31 1HG2 VAL 31 -0.945 5.436 4.822 238 2HG2 VAL 31 2HG2 VAL 31 -1.521 7.114 4.861 239 3HG2 VAL 31 3HG2 VAL 31 -0.603 6.524 3.472 240 H GLN 32 H GLN 32 2.095 4.915 7.400 241 HA GLN 32 HA GLN 32 3.905 6.656 9.032 242 1HB GLN 32 2HB GLN 32 3.179 3.721 9.125 243 2HB GLN 32 3HB GLN 32 4.553 4.396 9.992 244 1HG GLN 32 2HG GLN 32 1.956 5.761 10.371 245 2HG GLN 32 3HG GLN 32 2.085 4.181 11.103 246 1HE2 GLN 32 2HE2 GLN 32 4.584 3.935 12.318 247 2HE2 GLN 32 1HE2 GLN 32 4.839 5.342 13.312 248 H ARG 33 H ARG 33 3.741 3.997 6.584 249 HA ARG 33 HA ARG 33 6.163 4.789 5.238 250 1HB ARG 33 2HB ARG 33 6.545 3.189 7.559 251 2HB ARG 33 3HB ARG 33 6.586 2.045 6.216 252 1HG ARG 33 2HG ARG 33 8.339 3.387 5.100 253 2HG ARG 33 3HG ARG 33 8.187 4.625 6.369 254 1HD ARG 33 2HD ARG 33 8.744 2.756 8.039 255 2HD ARG 33 3HD ARG 33 9.281 1.800 6.635 256 HE ARG 33 HE ARG 33 10.520 4.287 6.380 257 1HH1 ARG 33 1HH2 ARG 33 10.529 1.694 8.761 258 2HH1 ARG 33 2HH2 ARG 33 11.997 2.183 9.548 259 1HH2 ARG 33 1HH1 ARG 33 12.458 5.011 7.418 260 2HH2 ARG 33 2HH1 ARG 33 13.136 4.112 8.734 261 H ILE 34 H ILE 34 6.677 3.045 3.559 262 HA ILE 34 HA ILE 34 4.473 1.432 2.756 263 HB ILE 34 HB ILE 34 3.557 3.510 2.151 264 1HG1 ILE 34 2HG1 ILE 34 4.965 2.610 -0.349 265 2HG1 ILE 34 3HG1 ILE 34 3.795 1.583 0.446 266 1HG2 ILE 34 1HG2 ILE 34 4.721 5.244 0.759 267 2HG2 ILE 34 2HG2 ILE 34 5.355 5.082 2.383 268 3HG2 ILE 34 3HG2 ILE 34 6.244 4.361 1.030 269 1HD1 ILE 34 1HD1 ILE 34 3.106 4.405 -0.398 270 2HD1 ILE 34 2HD1 ILE 34 2.750 2.967 -1.382 271 3HD1 ILE 34 3HD1 ILE 34 2.035 3.161 0.227 272 H LYS 35 H LYS 35 5.213 0.026 1.218 273 HA LYS 35 HA LYS 35 7.941 0.272 0.231 274 1HB LYS 35 2HB LYS 35 7.219 -1.565 2.437 275 2HB LYS 35 3HB LYS 35 8.150 -2.274 1.098 276 1HG LYS 35 2HG LYS 35 8.913 0.143 2.782 277 2HG LYS 35 3HG LYS 35 9.427 -1.529 3.054 278 1HD LYS 35 2HD LYS 35 10.324 -1.536 0.662 279 2HD LYS 35 3HD LYS 35 10.012 0.219 0.661 280 1HE LYS 35 2HE LYS 35 11.571 0.562 2.506 281 2HE LYS 35 3HE LYS 35 11.769 -1.187 2.734 282 1HZ LYS 35 1HZ LYS 35 12.601 0.295 0.328 283 2HZ LYS 35 2HZ LYS 35 13.600 -0.232 1.525 284 3HZ LYS 35 3HZ LYS 35 12.798 -1.319 0.589 285 H VAL 36 H VAL 36 7.047 0.600 -1.810 286 HA VAL 36 HA VAL 36 5.317 -1.555 -2.870 287 HB VAL 36 HB VAL 36 6.002 1.224 -3.881 288 1HG1 VAL 36 1HG1 VAL 36 5.503 -0.263 -5.783 289 2HG1 VAL 36 2HG1 VAL 36 4.048 -0.863 -4.965 290 3HG1 VAL 36 3HG1 VAL 36 4.148 0.836 -5.473 291 1HG2 VAL 36 1HG2 VAL 36 4.502 0.896 -1.780 292 2HG2 VAL 36 2HG2 VAL 36 3.807 1.764 -3.138 293 3HG2 VAL 36 3HG2 VAL 36 3.360 0.076 -2.848 294 H SER 37 H SER 37 6.420 -3.336 -3.650 295 HA SER 37 HA SER 37 8.923 -2.886 -5.204 296 1HB SER 37 2HB SER 37 7.863 -5.338 -3.901 297 2HB SER 37 3HB SER 37 9.421 -5.177 -4.728 298 HG SER 37 HG SER 37 9.512 -4.940 -2.387 299 H LEU 38 H LEU 38 8.989 -3.486 -7.343 300 HA LEU 38 HA LEU 38 6.506 -4.580 -8.539 301 1HB LEU 38 2HB LEU 38 6.883 -3.403 -10.350 302 2HB LEU 38 3HB LEU 38 7.884 -2.442 -9.279 303 HG LEU 38 HG LEU 38 9.850 -3.933 -10.187 304 1HD1 LEU 38 1HD1 LEU 38 9.516 -4.825 -12.421 305 2HD1 LEU 38 2HD1 LEU 38 8.229 -5.541 -11.444 306 3HD1 LEU 38 3HD1 LEU 38 7.873 -4.175 -12.504 307 1HD2 LEU 38 1HD2 LEU 38 9.652 -1.561 -10.628 308 2HD2 LEU 38 2HD2 LEU 38 10.068 -2.398 -12.132 309 3HD2 LEU 38 3HD2 LEU 38 8.400 -1.849 -11.857 310 H ASP 39 H ASP 39 10.071 -5.177 -8.494 311 HA ASP 39 HA ASP 39 10.268 -7.420 -10.015 312 1HB ASP 39 2HB ASP 39 11.691 -7.140 -7.327 313 2HB ASP 39 3HB ASP 39 12.268 -7.916 -8.792 314 H ASN 40 H ASN 40 9.715 -7.305 -6.532 315 HA ASN 40 HA ASN 40 9.259 -10.134 -6.323 316 1HB ASN 40 2HB ASN 40 9.844 -8.053 -4.517 317 2HB ASN 40 3HB ASN 40 8.444 -8.970 -3.941 318 1HD2 ASN 40 2HD2 ASN 40 11.738 -8.859 -3.633 319 2HD2 ASN 40 1HD2 ASN 40 12.010 -10.560 -3.303 320 H GLN 41 H GLN 41 7.298 -7.810 -7.581 321 HA GLN 41 HA GLN 41 5.164 -7.287 -7.715 322 1HB GLN 41 2HB GLN 41 5.707 -9.573 -8.851 323 2HB GLN 41 3HB GLN 41 4.652 -10.275 -7.641 324 1HG GLN 41 2HG GLN 41 3.523 -7.923 -9.116 325 2HG GLN 41 3HG GLN 41 3.999 -9.252 -10.155 326 1HE2 GLN 41 2HE2 GLN 41 1.672 -9.508 -10.813 327 2HE2 GLN 41 1HE2 GLN 41 0.670 -10.399 -9.719 328 H GLU 42 H GLU 42 5.485 -6.444 -5.450 329 HA GLU 42 HA GLU 42 3.205 -7.244 -3.872 330 1HB GLU 42 2HB GLU 42 4.802 -8.992 -3.179 331 2HB GLU 42 3HB GLU 42 5.927 -7.746 -2.607 332 1HG GLU 42 2HG GLU 42 4.432 -7.066 -0.867 333 2HG GLU 42 3HG GLU 42 3.055 -7.895 -1.610 334 H ALA 43 H ALA 43 2.409 -5.630 -2.796 335 HA ALA 43 HA ALA 43 4.011 -3.155 -2.399 336 1HB ALA 43 1HB ALA 43 2.396 -2.598 -3.979 337 2HB ALA 43 2HB ALA 43 1.124 -3.537 -3.188 338 3HB ALA 43 3HB ALA 43 1.717 -2.033 -2.442 339 H THR 44 H THR 44 4.561 -2.918 -0.402 340 HA THR 44 HA THR 44 2.980 -3.943 1.895 341 HB THR 44 HB THR 44 5.582 -2.398 1.646 342 HG1 THR 44 1HG THR 44 5.744 -4.431 0.739 343 1HG2 THR 44 1HG2 THR 44 4.293 -3.860 4.017 344 2HG2 THR 44 2HG2 THR 44 5.973 -3.284 4.010 345 3HG2 THR 44 3HG2 THR 44 4.643 -2.126 3.899 346 H ILE 45 H ILE 45 1.662 -2.445 3.025 347 HA ILE 45 HA ILE 45 2.305 0.455 2.635 348 HB ILE 45 HB ILE 45 -0.486 -0.654 2.891 349 1HG1 ILE 45 2HG1 ILE 45 0.508 -1.319 0.662 350 2HG1 ILE 45 3HG1 ILE 45 -0.954 -0.335 0.608 351 1HG2 ILE 45 1HG2 ILE 45 -1.007 1.756 2.116 352 2HG2 ILE 45 2HG2 ILE 45 -0.275 1.617 3.726 353 3HG2 ILE 45 3HG2 ILE 45 0.712 2.106 2.343 354 1HD1 ILE 45 1HD1 ILE 45 1.825 0.791 0.284 355 2HD1 ILE 45 2HD1 ILE 45 0.817 0.267 -1.063 356 3HD1 ILE 45 3HD1 ILE 45 0.285 1.617 -0.040 357 H VAL 46 H VAL 46 2.645 1.453 4.562 358 HA VAL 46 HA VAL 46 1.966 -0.106 7.014 359 HB VAL 46 HB VAL 46 4.306 1.785 6.796 360 1HG1 VAL 46 1HG1 VAL 46 5.105 0.274 8.646 361 2HG1 VAL 46 2HG1 VAL 46 3.735 1.338 9.006 362 3HG1 VAL 46 3HG1 VAL 46 3.454 -0.382 8.704 363 1HG2 VAL 46 1HG2 VAL 46 5.694 -0.336 6.494 364 2HG2 VAL 46 2HG2 VAL 46 4.178 -1.121 6.002 365 3HG2 VAL 46 3HG2 VAL 46 4.823 0.231 5.064 366 H TYR 47 H TYR 47 0.272 0.868 8.030 367 HA TYR 47 HA TYR 47 0.133 3.859 7.933 368 1HB TYR 47 2HB TYR 47 -2.178 3.773 7.433 369 2HB TYR 47 3HB TYR 47 -1.343 2.838 6.208 370 HD1 TYR 47 1HD TYR 47 -3.740 2.736 9.007 371 HD2 TYR 47 2HD TYR 47 -1.531 0.354 6.179 372 HE1 TYR 47 1HE TYR 47 -5.343 0.895 9.324 373 HE2 TYR 47 2HE TYR 47 -3.240 -1.412 6.367 374 HH TYR 47 HH TYR 47 -5.960 -1.229 8.677 375 H GLN 48 H GLN 48 -1.463 4.762 9.469 376 HA GLN 48 HA GLN 48 -0.968 3.452 12.060 377 1HB GLN 48 2HB GLN 48 -0.962 6.183 11.163 378 2HB GLN 48 3HB GLN 48 -2.274 5.979 12.332 379 1HG GLN 48 2HG GLN 48 -0.455 4.678 13.755 380 2HG GLN 48 3HG GLN 48 0.675 5.597 12.753 381 1HE2 GLN 48 2HE2 GLN 48 0.544 8.009 12.931 382 2HE2 GLN 48 1HE2 GLN 48 -0.173 8.697 14.381 383 HA PRO 49 HA PRO 49 -5.182 1.984 11.687 384 1HB PRO 49 2HB PRO 49 -5.591 1.061 14.261 385 2HB PRO 49 3HB PRO 49 -4.656 0.184 13.028 386 1HG PRO 49 2HG PRO 49 -3.641 1.881 15.297 387 2HG PRO 49 3HG PRO 49 -2.951 0.359 14.657 388 1HD PRO 49 2HD PRO 49 -2.032 2.907 14.078 389 2HD PRO 49 3HD PRO 49 -1.773 1.509 13.009 390 H HIS 50 H HIS 50 -7.188 2.863 12.140 391 HA HIS 50 HA HIS 50 -8.787 4.121 13.047 392 1HB HIS 50 2HB HIS 50 -7.472 3.980 15.258 393 2HB HIS 50 3HB HIS 50 -6.866 5.596 14.872 394 HD1 HIS 50 1HD HIS 50 -8.093 6.030 17.313 395 HD2 HIS 50 2HD HIS 50 -10.551 5.253 13.984 396 HE1 HIS 50 1HE HIS 50 -10.461 6.715 17.970 397 H LEU 51 H LEU 51 -5.770 5.478 11.702 398 HA LEU 51 HA LEU 51 -7.037 8.060 11.176 399 1HB LEU 51 2HB LEU 51 -4.373 6.903 10.551 400 2HB LEU 51 3HB LEU 51 -4.922 8.486 10.027 401 HG LEU 51 HG LEU 51 -5.240 9.258 12.319 402 1HD1 LEU 51 1HD1 LEU 51 -4.060 7.902 14.170 403 2HD1 LEU 51 2HD1 LEU 51 -5.668 7.378 13.681 404 3HD1 LEU 51 3HD1 LEU 51 -4.240 6.505 13.098 405 1HD2 LEU 51 1HD2 LEU 51 -2.831 9.426 12.900 406 2HD2 LEU 51 2HD2 LEU 51 -2.467 8.176 11.696 407 3HD2 LEU 51 3HD2 LEU 51 -3.151 9.731 11.187 408 H ILE 52 H ILE 52 -5.926 5.175 9.244 409 HA ILE 52 HA ILE 52 -7.657 5.999 7.015 410 HB ILE 52 HB ILE 52 -4.962 6.475 7.153 411 1HG1 ILE 52 2HG1 ILE 52 -5.009 6.389 4.585 412 2HG1 ILE 52 3HG1 ILE 52 -6.704 5.930 4.879 413 1HG2 ILE 52 1HG2 ILE 52 -3.634 5.020 5.967 414 2HG2 ILE 52 2HG2 ILE 52 -4.412 4.096 7.249 415 3HG2 ILE 52 3HG2 ILE 52 -4.989 3.926 5.550 416 1HD1 ILE 52 1HD1 ILE 52 -5.274 8.475 5.812 417 2HD1 ILE 52 2HD1 ILE 52 -6.479 8.391 4.512 418 3HD1 ILE 52 3HD1 ILE 52 -6.967 8.092 6.190 419 H SER 53 H SER 53 -8.136 4.139 5.576 420 HA SER 53 HA SER 53 -8.144 1.568 7.128 421 1HB SER 53 2HB SER 53 -10.263 1.135 6.096 422 2HB SER 53 3HB SER 53 -10.325 2.792 6.719 423 HG SER 53 HG SER 53 -9.939 3.559 4.653 424 H VAL 54 H VAL 54 -8.391 -0.390 5.721 425 HA VAL 54 HA VAL 54 -6.377 -0.747 3.792 426 HB VAL 54 HB VAL 54 -8.921 -2.229 4.449 427 1HG1 VAL 54 1HG1 VAL 54 -8.650 -2.698 2.079 428 2HG1 VAL 54 2HG1 VAL 54 -6.906 -2.978 2.292 429 3HG1 VAL 54 3HG1 VAL 54 -8.091 -4.099 2.995 430 1HG2 VAL 54 1HG2 VAL 54 -6.904 -2.359 5.990 431 2HG2 VAL 54 2HG2 VAL 54 -7.408 -3.921 5.318 432 3HG2 VAL 54 3HG2 VAL 54 -6.005 -3.093 4.639 433 H GLU 55 H GLU 55 -9.736 0.393 3.388 434 HA GLU 55 HA GLU 55 -9.804 -0.190 0.607 435 1HB GLU 55 2HB GLU 55 -11.652 0.299 2.421 436 2HB GLU 55 3HB GLU 55 -11.579 1.905 1.704 437 1HG GLU 55 2HG GLU 55 -11.936 -0.626 0.064 438 2HG GLU 55 3HG GLU 55 -13.301 0.132 0.875 439 H GLU 56 H GLU 56 -9.296 2.930 2.351 440 HA GLU 56 HA GLU 56 -8.611 4.687 0.393 441 1HB GLU 56 2HB GLU 56 -7.776 4.141 3.220 442 2HB GLU 56 3HB GLU 56 -6.799 5.277 2.371 443 1HG GLU 56 2HG GLU 56 -8.464 6.764 2.183 444 2HG GLU 56 3HG GLU 56 -9.796 5.591 2.137 445 H MET 57 H MET 57 -6.120 2.484 1.942 446 HA MET 57 HA MET 57 -4.119 2.870 0.105 447 1HB MET 57 2HB MET 57 -4.748 0.136 1.047 448 2HB MET 57 3HB MET 57 -3.204 0.922 0.822 449 1HG MET 57 2HG MET 57 -3.806 2.419 2.803 450 2HG MET 57 3HG MET 57 -5.098 1.240 3.121 451 1HE MET 57 1HE MET 57 -2.991 -2.037 3.353 452 2HE MET 57 2HE MET 57 -4.406 -1.447 4.247 453 3HE MET 57 3HE MET 57 -4.351 -1.365 2.474 454 H LYS 58 H LYS 58 -6.563 0.211 -0.148 455 HA LYS 58 HA LYS 58 -5.546 -0.646 -2.692 456 1HB LYS 58 2HB LYS 58 -6.361 -2.226 -1.754 457 2HB LYS 58 3HB LYS 58 -7.824 -1.470 -0.989 458 1HG LYS 58 2HG LYS 58 -7.443 -2.155 -3.977 459 2HG LYS 58 3HG LYS 58 -7.918 -3.312 -2.757 460 1HD LYS 58 2HD LYS 58 -9.818 -1.433 -2.224 461 2HD LYS 58 3HD LYS 58 -9.485 -1.038 -3.923 462 1HE LYS 58 2HE LYS 58 -9.678 -3.721 -4.182 463 2HE LYS 58 3HE LYS 58 -10.639 -3.569 -2.709 464 1HZ LYS 58 1HZ LYS 58 -11.079 -2.154 -5.254 465 2HZ LYS 58 2HZ LYS 58 -11.894 -3.471 -4.791 466 3HZ LYS 58 3HZ LYS 58 -12.080 -2.052 -3.940 467 H LYS 59 H LYS 59 -8.646 1.110 -2.062 468 HA LYS 59 HA LYS 59 -9.440 1.723 -4.565 469 1HB LYS 59 2HB LYS 59 -10.229 2.418 -2.144 470 2HB LYS 59 3HB LYS 59 -9.246 3.846 -2.419 471 1HG LYS 59 2HG LYS 59 -11.502 4.246 -2.909 472 2HG LYS 59 3HG LYS 59 -10.642 4.294 -4.471 473 1HD LYS 59 2HD LYS 59 -11.629 2.257 -5.202 474 2HD LYS 59 3HD LYS 59 -11.775 1.670 -3.546 475 1HE LYS 59 2HE LYS 59 -13.566 3.633 -3.305 476 2HE LYS 59 3HE LYS 59 -13.669 3.456 -5.068 477 1HZ LYS 59 1HZ LYS 59 -13.979 1.361 -3.014 478 2HZ LYS 59 2HZ LYS 59 -15.229 2.065 -3.821 479 3HZ LYS 59 3HZ LYS 59 -14.159 1.098 -4.628 480 H GLN 60 H GLN 60 -6.880 3.597 -2.694 481 HA GLN 60 HA GLN 60 -6.356 5.320 -4.952 482 1HB GLN 60 2HB GLN 60 -4.683 4.420 -2.634 483 2HB GLN 60 3HB GLN 60 -4.092 5.622 -3.780 484 1HG GLN 60 2HG GLN 60 -6.718 5.964 -2.266 485 2HG GLN 60 3HG GLN 60 -5.158 6.527 -1.662 486 1HE2 GLN 60 2HE2 GLN 60 -7.115 8.340 -1.885 487 2HE2 GLN 60 1HE2 GLN 60 -6.810 9.426 -3.225 488 H ILE 61 H ILE 61 -4.910 2.180 -4.016 489 HA ILE 61 HA ILE 61 -2.872 2.234 -6.069 490 HB ILE 61 HB ILE 61 -3.876 0.041 -4.270 491 1HG1 ILE 61 2HG1 ILE 61 -1.351 1.774 -4.332 492 2HG1 ILE 61 3HG1 ILE 61 -2.728 2.140 -3.336 493 1HG2 ILE 61 1HG2 ILE 61 -2.931 -0.970 -6.321 494 2HG2 ILE 61 2HG2 ILE 61 -1.533 0.117 -6.230 495 3HG2 ILE 61 3HG2 ILE 61 -1.782 -1.145 -5.002 496 1HD1 ILE 61 1HD1 ILE 61 -1.007 -0.317 -3.084 497 2HD1 ILE 61 2HD1 ILE 61 -1.193 1.048 -1.959 498 3HD1 ILE 61 3HD1 ILE 61 -2.556 -0.057 -2.228 499 H GLU 62 H GLU 62 -5.724 -0.033 -5.727 500 HA GLU 62 HA GLU 62 -5.945 -0.981 -8.269 501 1HB GLU 62 2HB GLU 62 -7.561 -0.790 -5.922 502 2HB GLU 62 3HB GLU 62 -8.499 0.051 -7.139 503 1HG GLU 62 2HG GLU 62 -8.211 -2.020 -8.557 504 2HG GLU 62 3HG GLU 62 -7.384 -2.776 -7.184 505 H ALA 63 H ALA 63 -7.055 2.317 -7.192 506 HA ALA 63 HA ALA 63 -8.401 3.002 -9.552 507 1HB ALA 63 1HB ALA 63 -7.834 5.377 -8.909 508 2HB ALA 63 2HB ALA 63 -8.573 4.410 -7.627 509 3HB ALA 63 3HB ALA 63 -6.809 4.703 -7.622 510 H MET 64 H MET 64 -4.858 2.921 -9.013 511 HA MET 64 HA MET 64 -4.141 4.461 -11.321 512 1HB MET 64 2HB MET 64 -2.683 2.140 -9.979 513 2HB MET 64 3HB MET 64 -2.022 3.323 -11.109 514 1HG MET 64 2HG MET 64 -2.911 3.783 -8.254 515 2HG MET 64 3HG MET 64 -1.314 3.932 -8.980 516 1HE MET 64 1HE MET 64 -1.801 7.571 -7.917 517 2HE MET 64 2HE MET 64 -2.230 6.078 -7.035 518 3HE MET 64 3HE MET 64 -0.711 6.177 -7.961 519 H GLY 65 H GLY 65 -5.005 1.048 -10.778 520 1HA GLY 65 1HA GLY 65 -6.285 0.197 -12.789 521 2HA GLY 65 2HA GLY 65 -4.788 0.449 -13.705 522 H PHE 66 H PHE 66 -3.558 -0.328 -10.817 523 HA PHE 66 HA PHE 66 -2.894 -2.995 -11.767 524 1HB PHE 66 2HB PHE 66 -1.954 -1.415 -9.385 525 2HB PHE 66 3HB PHE 66 -1.114 -2.799 -10.143 526 HD1 PHE 66 1HD PHE 66 -0.842 -2.293 -12.914 527 HD2 PHE 66 2HD PHE 66 -0.752 0.526 -9.663 528 HE1 PHE 66 1HE PHE 66 0.011 -0.533 -14.452 529 HE2 PHE 66 2HE PHE 66 0.225 2.238 -11.168 530 HZ PHE 66 HZ PHE 66 0.504 1.739 -13.582 531 HA PRO 67 HA PRO 67 -6.057 -4.378 -8.750 532 1HB PRO 67 2HB PRO 67 -6.143 -7.045 -9.340 533 2HB PRO 67 3HB PRO 67 -6.863 -5.785 -10.384 534 1HG PRO 67 2HG PRO 67 -4.158 -7.110 -10.700 535 2HG PRO 67 3HG PRO 67 -5.412 -6.880 -11.951 536 1HD PRO 67 2HD PRO 67 -3.298 -5.187 -11.663 537 2HD PRO 67 3HD PRO 67 -4.910 -4.581 -12.153 538 H ALA 68 H ALA 68 -5.711 -4.950 -6.632 539 HA ALA 68 HA ALA 68 -3.053 -6.105 -5.921 540 1HB ALA 68 1HB ALA 68 -4.633 -4.057 -4.342 541 2HB ALA 68 2HB ALA 68 -3.007 -4.703 -4.018 542 3HB ALA 68 3HB ALA 68 -3.284 -3.660 -5.429 543 H PHE 69 H PHE 69 -2.980 -7.686 -4.347 544 HA PHE 69 HA PHE 69 -5.595 -8.697 -3.251 545 1HB PHE 69 2HB PHE 69 -3.133 -10.242 -3.812 546 2HB PHE 69 3HB PHE 69 -4.731 -10.869 -3.444 547 HD1 PHE 69 1HD PHE 69 -2.561 -11.054 -5.963 548 HD2 PHE 69 2HD PHE 69 -6.463 -9.303 -5.329 549 HE1 PHE 69 1HE PHE 69 -3.010 -11.158 -8.386 550 HE2 PHE 69 2HE PHE 69 -6.889 -9.407 -7.759 551 HZ PHE 69 HZ PHE 69 -5.166 -10.336 -9.295 552 H VAL 70 H VAL 70 -5.368 -7.172 -1.580 553 HA VAL 70 HA VAL 70 -3.367 -7.238 0.465 554 HB VAL 70 HB VAL 70 -4.804 -5.386 -0.014 555 1HG1 VAL 70 1HG1 VAL 70 -7.024 -5.239 0.706 556 2HG1 VAL 70 2HG1 VAL 70 -6.904 -6.719 -0.277 557 3HG1 VAL 70 3HG1 VAL 70 -6.962 -6.826 1.499 558 1HG2 VAL 70 1HG2 VAL 70 -3.548 -5.612 2.114 559 2HG2 VAL 70 2HG2 VAL 70 -5.090 -4.766 2.344 560 3HG2 VAL 70 3HG2 VAL 70 -4.932 -6.473 2.822 561 H LYS 71 H LYS 71 -2.820 -9.175 1.407 562 HA LYS 71 HA LYS 71 -4.868 -10.392 3.098 563 1HB LYS 71 2HB LYS 71 -4.534 -12.612 2.327 564 2HB LYS 71 3HB LYS 71 -5.353 -11.562 1.157 565 1HG LYS 71 2HG LYS 71 -3.225 -11.218 -0.008 566 2HG LYS 71 3HG LYS 71 -2.438 -12.296 1.136 567 1HD LYS 71 2HD LYS 71 -4.485 -13.919 0.431 568 2HD LYS 71 3HD LYS 71 -4.481 -12.946 -1.036 569 1HE LYS 71 2HE LYS 71 -2.516 -13.892 -1.814 570 2HE LYS 71 3HE LYS 71 -1.801 -14.016 -0.201 571 1HZ LYS 71 1HZ LYS 71 -3.875 -15.820 -1.249 572 2HZ LYS 71 2HZ LYS 71 -2.278 -16.173 -1.083 573 3HZ LYS 71 3HZ LYS 71 -3.197 -15.895 0.247 574 H LYS 72 H LYS 72 -3.108 -9.031 4.391 575 HA LYS 72 HA LYS 72 -1.561 -10.998 5.823 576 1HB LYS 72 2HB LYS 72 -0.183 -10.246 3.673 577 2HB LYS 72 3HB LYS 72 -0.067 -8.710 4.527 578 1HG LYS 72 2HG LYS 72 1.548 -9.504 5.908 579 2HG LYS 72 3HG LYS 72 0.601 -10.940 6.272 580 1HD LYS 72 2HD LYS 72 2.058 -10.879 3.633 581 2HD LYS 72 3HD LYS 72 2.924 -11.171 5.140 582 1HE LYS 72 2HE LYS 72 2.262 -13.319 4.257 583 2HE LYS 72 3HE LYS 72 1.438 -13.006 5.778 584 1HZ LYS 72 1HZ LYS 72 0.261 -12.812 3.093 585 2HZ LYS 72 2HZ LYS 72 -0.104 -13.890 4.281 586 3HZ LYS 72 3HZ LYS 72 -0.539 -12.319 4.412 587 H ILE 73 H ILE 73 -0.576 -9.966 7.815 588 HA ILE 73 HA ILE 73 -1.526 -7.287 8.398 589 HB ILE 73 HB ILE 73 -3.628 -8.557 8.568 590 1HG1 ILE 73 2HG1 ILE 73 -4.373 -7.982 10.810 591 2HG1 ILE 73 3HG1 ILE 73 -2.726 -7.638 11.323 592 1HG2 ILE 73 1HG2 ILE 73 -2.722 -10.784 9.125 593 2HG2 ILE 73 2HG2 ILE 73 -2.372 -10.228 10.772 594 3HG2 ILE 73 3HG2 ILE 73 -4.039 -10.282 10.189 595 1HD1 ILE 73 1HD1 ILE 73 -4.192 -6.223 9.049 596 2HD1 ILE 73 2HD1 ILE 73 -4.011 -5.607 10.704 597 3HD1 ILE 73 3HD1 ILE 73 -2.581 -5.808 9.681 598 H GLU 74 H GLU 74 0.941 -7.925 8.298 599 HA GLU 74 HA GLU 74 1.933 -9.077 10.802 600 1HB GLU 74 2HB GLU 74 3.147 -8.310 8.158 601 2HB GLU 74 3HB GLU 74 4.167 -8.342 9.600 602 1HG GLU 74 2HG GLU 74 4.339 -10.460 8.597 603 2HG GLU 74 3HG GLU 74 3.445 -10.662 10.096 604 H GLY 75 H GLY 75 0.687 -7.447 11.943 605 1HA GLY 75 1HA GLY 75 1.181 -4.715 12.085 606 2HA GLY 75 2HA GLY 75 0.673 -5.712 13.456 607 H ARG 76 H ARG 76 3.425 -7.271 13.085 608 HA ARG 76 HA ARG 76 5.442 -5.388 13.300 609 1HB ARG 76 2HB ARG 76 4.267 -5.813 15.799 610 2HB ARG 76 3HB ARG 76 5.510 -7.074 15.759 611 1HG ARG 76 2HG ARG 76 7.167 -5.273 15.043 612 2HG ARG 76 3HG ARG 76 5.901 -4.072 15.351 613 1HD ARG 76 2HD ARG 76 7.180 -5.996 17.333 614 2HD ARG 76 3HD ARG 76 7.384 -4.226 17.272 615 HE ARG 76 HE ARG 76 4.618 -4.824 17.532 616 1HH1 ARG 76 1HH2 ARG 76 7.580 -4.990 19.407 617 2HH1 ARG 76 2HH2 ARG 76 6.818 -4.938 20.967 618 1HH2 ARG 76 1HH1 ARG 76 3.527 -4.833 19.583 619 2HH2 ARG 76 2HH1 ARG 76 4.436 -4.823 21.058 Start of MODEL 11 1 1H GLY 1 1H GLY 1 2.871 -0.171 17.430 2 2H GLY 1 2H GLY 1 4.025 0.838 18.085 3 3H GLY 1 3H GLY 1 2.489 1.382 17.737 4 1HA GLY 1 1HA GLY 1 3.971 2.161 16.048 5 2HA GLY 1 2HA GLY 1 4.418 0.464 15.736 6 H GLU 2 H GLU 2 3.427 1.659 13.557 7 HA GLU 2 HA GLU 2 0.531 1.228 13.322 8 1HB GLU 2 2HB GLU 2 2.767 2.034 11.419 9 2HB GLU 2 3HB GLU 2 1.130 1.752 10.881 10 1HG GLU 2 2HG GLU 2 0.360 3.431 12.663 11 2HG GLU 2 3HG GLU 2 2.060 3.867 12.853 12 H VAL 3 H VAL 3 0.065 -0.039 11.100 13 HA VAL 3 HA VAL 3 1.061 -2.824 11.531 14 HB VAL 3 HB VAL 3 -1.541 -1.673 10.487 15 1HG1 VAL 3 1HG1 VAL 3 -2.347 -4.023 10.392 16 2HG1 VAL 3 2HG1 VAL 3 -1.126 -3.645 9.175 17 3HG1 VAL 3 3HG1 VAL 3 -0.656 -4.556 10.625 18 1HG2 VAL 3 1HG2 VAL 3 -2.542 -2.855 12.442 19 2HG2 VAL 3 2HG2 VAL 3 -0.924 -3.367 12.956 20 3HG2 VAL 3 3HG2 VAL 3 -1.360 -1.646 12.969 21 H VAL 4 H VAL 4 1.732 -3.932 9.723 22 HA VAL 4 HA VAL 4 2.221 -2.366 7.233 23 HB VAL 4 HB VAL 4 3.800 -4.317 8.719 24 1HG1 VAL 4 1HG1 VAL 4 4.734 -5.523 6.800 25 2HG1 VAL 4 2HG1 VAL 4 3.031 -5.917 7.002 26 3HG1 VAL 4 3HG1 VAL 4 3.517 -4.809 5.717 27 1HG2 VAL 4 1HG2 VAL 4 5.612 -3.401 7.354 28 2HG2 VAL 4 2HG2 VAL 4 4.414 -2.607 6.320 29 3HG2 VAL 4 3HG2 VAL 4 4.614 -2.107 8.024 30 H LEU 5 H LEU 5 0.905 -2.738 5.560 31 HA LEU 5 HA LEU 5 -0.706 -5.253 5.462 32 1HB LEU 5 2HB LEU 5 -0.995 -2.464 4.255 33 2HB LEU 5 3HB LEU 5 -1.781 -3.841 3.484 34 HG LEU 5 HG LEU 5 -2.211 -3.306 6.420 35 1HD1 LEU 5 1HD1 LEU 5 -3.757 -2.093 4.071 36 2HD1 LEU 5 2HD1 LEU 5 -4.232 -1.983 5.779 37 3HD1 LEU 5 3HD1 LEU 5 -2.733 -1.213 5.218 38 1HD2 LEU 5 1HD2 LEU 5 -2.961 -5.443 4.980 39 2HD2 LEU 5 2HD2 LEU 5 -4.057 -4.738 6.190 40 3HD2 LEU 5 3HD2 LEU 5 -4.250 -4.378 4.465 41 H LYS 6 H LYS 6 -0.285 -6.588 3.580 42 HA LYS 6 HA LYS 6 1.816 -5.571 1.723 43 1HB LYS 6 2HB LYS 6 2.213 -7.626 3.470 44 2HB LYS 6 3HB LYS 6 1.467 -8.486 2.128 45 1HG LYS 6 2HG LYS 6 3.648 -8.673 1.536 46 2HG LYS 6 3HG LYS 6 3.262 -7.158 0.697 47 1HD LYS 6 2HD LYS 6 4.118 -5.875 2.635 48 2HD LYS 6 3HD LYS 6 4.412 -7.387 3.527 49 1HE LYS 6 2HE LYS 6 6.038 -8.149 1.852 50 2HE LYS 6 3HE LYS 6 5.747 -6.707 0.865 51 1HZ LYS 6 1HZ LYS 6 6.821 -6.652 3.601 52 2HZ LYS 6 2HZ LYS 6 7.713 -6.526 2.218 53 3HZ LYS 6 3HZ LYS 6 6.600 -5.358 2.574 54 H MET 7 H MET 7 1.008 -5.348 -0.280 55 HA MET 7 HA MET 7 -1.391 -6.862 -1.088 56 1HB MET 7 2HB MET 7 -1.681 -4.712 -2.537 57 2HB MET 7 3HB MET 7 -2.250 -4.769 -0.883 58 1HG MET 7 2HG MET 7 -0.282 -3.578 -0.079 59 2HG MET 7 3HG MET 7 0.291 -3.503 -1.755 60 1HE MET 7 1HE MET 7 -2.971 -1.014 0.275 61 2HE MET 7 2HE MET 7 -3.040 -2.784 0.276 62 3HE MET 7 3HE MET 7 -1.692 -1.967 1.068 63 H LYS 8 H LYS 8 -1.019 -8.143 -2.723 64 HA LYS 8 HA LYS 8 1.500 -7.952 -4.246 65 1HB LYS 8 2HB LYS 8 -0.762 -9.956 -4.482 66 2HB LYS 8 3HB LYS 8 0.696 -9.902 -5.479 67 1HG LYS 8 2HG LYS 8 1.567 -11.271 -3.889 68 2HG LYS 8 3HG LYS 8 1.932 -9.739 -3.134 69 1HD LYS 8 2HD LYS 8 0.999 -10.658 -1.332 70 2HD LYS 8 3HD LYS 8 -0.498 -10.059 -2.033 71 1HE LYS 8 2HE LYS 8 0.682 -12.878 -2.199 72 2HE LYS 8 3HE LYS 8 -0.796 -12.405 -1.350 73 1HZ LYS 8 1HZ LYS 8 -0.408 -12.286 -4.276 74 2HZ LYS 8 2HZ LYS 8 -1.219 -13.476 -3.484 75 3HZ LYS 8 3HZ LYS 8 -1.801 -11.937 -3.481 76 H VAL 9 H VAL 9 1.673 -6.854 -6.170 77 HA VAL 9 HA VAL 9 -0.823 -5.692 -7.348 78 HB VAL 9 HB VAL 9 0.687 -3.921 -8.221 79 1HG1 VAL 9 1HG1 VAL 9 -0.729 -3.453 -6.317 80 2HG1 VAL 9 2HG1 VAL 9 0.482 -4.099 -5.186 81 3HG1 VAL 9 3HG1 VAL 9 0.816 -2.619 -6.113 82 1HG2 VAL 9 1HG2 VAL 9 2.849 -3.469 -7.218 83 2HG2 VAL 9 2HG2 VAL 9 2.715 -4.888 -6.173 84 3HG2 VAL 9 3HG2 VAL 9 2.886 -5.083 -7.934 85 H GLU 10 H GLU 10 -0.854 -5.686 -9.684 86 HA GLU 10 HA GLU 10 1.143 -7.557 -10.876 87 1HB GLU 10 2HB GLU 10 -1.722 -7.236 -11.749 88 2HB GLU 10 3HB GLU 10 -0.529 -8.398 -12.356 89 1HG GLU 10 2HG GLU 10 -1.639 -8.312 -9.516 90 2HG GLU 10 3HG GLU 10 -2.107 -9.452 -10.779 91 H GLY 11 H GLY 11 1.915 -7.173 -12.938 92 1HA GLY 11 1HA GLY 11 2.331 -6.011 -14.884 93 2HA GLY 11 2HA GLY 11 1.025 -4.887 -14.497 94 H MET 12 H MET 12 2.223 -4.141 -11.862 95 HA MET 12 HA MET 12 3.807 -1.938 -12.733 96 1HB MET 12 2HB MET 12 3.340 -3.105 -9.967 97 2HB MET 12 3HB MET 12 4.186 -1.583 -10.350 98 1HG MET 12 2HG MET 12 2.189 -0.600 -11.260 99 2HG MET 12 3HG MET 12 1.329 -2.136 -11.243 100 1HE MET 12 1HE MET 12 3.543 -1.036 -8.140 101 2HE MET 12 2HE MET 12 3.041 0.524 -8.843 102 3HE MET 12 3HE MET 12 2.384 -0.008 -7.277 103 H THR 13 H THR 13 5.439 -3.035 -13.927 104 HA THR 13 HA THR 13 7.677 -4.205 -12.354 105 HB THR 13 HB THR 13 7.352 -4.301 -15.345 106 HG1 THR 13 1HG THR 13 6.219 -6.298 -14.879 107 1HG2 THR 13 1HG2 THR 13 8.577 -6.204 -13.289 108 2HG2 THR 13 2HG2 THR 13 8.467 -6.516 -15.032 109 3HG2 THR 13 3HG2 THR 13 9.490 -5.208 -14.441 110 H CYS 14 HN CYS 14 6.992 -1.095 -13.239 111 HA CYS 14 HA CYS 14 9.850 -0.502 -13.848 112 1HB CYS 14 2HB CYS 14 8.921 1.400 -15.260 113 2HB CYS 14 3HB CYS 14 8.887 -0.241 -15.904 114 H HIS 15 H HIS 15 10.759 1.140 -12.874 115 HA HIS 15 HA HIS 15 9.991 1.676 -10.313 116 1HB HIS 15 2HB HIS 15 12.256 2.149 -11.798 117 2HB HIS 15 3HB HIS 15 11.738 3.785 -11.393 118 HD1 HIS 15 1HD HIS 15 11.977 4.436 -8.770 119 HD2 HIS 15 2HD HIS 15 12.803 0.428 -9.754 120 HE1 HIS 15 1HE HIS 15 12.979 3.355 -6.684 121 H SER 16 H SER 16 9.196 3.558 -13.196 122 HA SER 16 HA SER 16 8.139 5.885 -12.221 123 1HB SER 16 2HB SER 16 6.825 4.083 -14.299 124 2HB SER 16 3HB SER 16 6.771 5.855 -14.194 125 HG SER 16 HG SER 16 8.359 5.136 -15.697 126 H CYS 17 HN CYS 17 6.447 2.637 -12.302 127 HA CYS 17 HA CYS 17 3.954 3.815 -11.463 128 1HB CYS 17 2HB CYS 17 4.891 0.918 -11.376 129 2HB CYS 17 3HB CYS 17 3.234 1.498 -11.133 130 H THR 18 H THR 18 6.379 1.798 -9.771 131 HA THR 18 HA THR 18 5.179 1.938 -7.237 132 HB THR 18 HB THR 18 6.866 0.336 -7.397 133 HG1 THR 18 1HG THR 18 8.008 0.865 -5.575 134 1HG2 THR 18 1HG2 THR 18 8.885 2.479 -8.133 135 2HG2 THR 18 2HG2 THR 18 9.229 0.785 -7.839 136 3HG2 THR 18 3HG2 THR 18 8.208 1.219 -9.217 137 H SER 19 H SER 19 7.695 4.150 -8.590 138 HA SER 19 HA SER 19 7.797 5.857 -6.323 139 1HB SER 19 2HB SER 19 9.435 5.781 -8.210 140 2HB SER 19 3HB SER 19 8.235 6.540 -9.277 141 HG SER 19 HG SER 19 9.728 8.040 -8.317 142 H THR 20 H THR 20 5.669 6.112 -9.265 143 HA THR 20 HA THR 20 4.407 8.523 -8.490 144 HB THR 20 HB THR 20 3.440 6.151 -10.143 145 HG1 THR 20 1HG THR 20 4.597 8.681 -10.687 146 1HG2 THR 20 1HG2 THR 20 2.169 8.903 -9.798 147 2HG2 THR 20 2HG2 THR 20 1.784 7.756 -11.099 148 3HG2 THR 20 3HG2 THR 20 1.430 7.328 -9.421 149 H ILE 21 H ILE 21 3.475 5.074 -7.702 150 HA ILE 21 HA ILE 21 1.160 5.915 -6.235 151 HB ILE 21 HB ILE 21 2.725 3.390 -6.726 152 1HG1 ILE 21 2HG1 ILE 21 0.240 2.556 -6.870 153 2HG1 ILE 21 3HG1 ILE 21 -0.166 4.273 -6.901 154 1HG2 ILE 21 1HG2 ILE 21 2.615 3.310 -4.373 155 2HG2 ILE 21 2HG2 ILE 21 0.847 3.589 -4.393 156 3HG2 ILE 21 3HG2 ILE 21 1.552 2.106 -5.109 157 1HD1 ILE 21 1HD1 ILE 21 1.677 2.744 -8.771 158 2HD1 ILE 21 2HD1 ILE 21 0.059 3.370 -9.154 159 3HD1 ILE 21 3HD1 ILE 21 1.396 4.504 -8.882 160 H GLU 22 H GLU 22 4.545 5.203 -5.283 161 HA GLU 22 HA GLU 22 4.191 5.594 -2.537 162 1HB GLU 22 2HB GLU 22 6.423 5.199 -4.353 163 2HB GLU 22 3HB GLU 22 6.858 6.488 -3.271 164 1HG GLU 22 2HG GLU 22 6.213 5.045 -1.335 165 2HG GLU 22 3HG GLU 22 5.610 3.818 -2.467 166 H GLY 23 H GLY 23 4.983 8.006 -5.038 167 1HA GLY 23 1HA GLY 23 5.058 10.322 -3.456 168 2HA GLY 23 2HA GLY 23 4.507 10.239 -5.140 169 H LYS 24 H LYS 24 2.202 8.809 -5.098 170 HA LYS 24 HA LYS 24 0.421 10.797 -4.092 171 1HB LYS 24 2HB LYS 24 0.163 8.972 -6.070 172 2HB LYS 24 3HB LYS 24 -0.637 8.068 -4.799 173 1HG LYS 24 2HG LYS 24 -2.390 9.252 -5.795 174 2HG LYS 24 3HG LYS 24 -2.051 10.201 -4.355 175 1HD LYS 24 2HD LYS 24 -0.795 11.846 -5.666 176 2HD LYS 24 3HD LYS 24 -0.845 10.806 -7.103 177 1HE LYS 24 2HE LYS 24 -3.287 11.052 -7.256 178 2HE LYS 24 3HE LYS 24 -3.318 12.007 -5.763 179 1HZ LYS 24 1HZ LYS 24 -1.958 12.800 -8.260 180 2HZ LYS 24 2HZ LYS 24 -3.406 13.373 -7.734 181 3HZ LYS 24 3HZ LYS 24 -2.040 13.695 -6.880 182 H ILE 25 H ILE 25 0.817 7.425 -3.103 183 HA ILE 25 HA ILE 25 -1.064 7.630 -0.976 184 HB ILE 25 HB ILE 25 0.973 5.484 -1.520 185 1HG1 ILE 25 2HG1 ILE 25 -0.554 5.810 -3.393 186 2HG1 ILE 25 3HG1 ILE 25 -0.654 4.227 -2.616 187 1HG2 ILE 25 1HG2 ILE 25 -0.544 4.031 -0.173 188 2HG2 ILE 25 2HG2 ILE 25 0.289 5.260 0.790 189 3HG2 ILE 25 3HG2 ILE 25 -1.413 5.464 0.359 190 1HD1 ILE 25 1HD1 ILE 25 -2.548 6.536 -2.125 191 2HD1 ILE 25 2HD1 ILE 25 -2.867 5.141 -3.174 192 3HD1 ILE 25 3HD1 ILE 25 -2.656 4.900 -1.426 193 H GLY 26 H GLY 26 2.442 8.116 -1.134 194 1HA GLY 26 1HA GLY 26 3.142 8.302 1.537 195 2HA GLY 26 2HA GLY 26 3.729 9.364 0.246 196 H LYS 27 H LYS 27 0.922 10.490 -0.294 197 HA LYS 27 HA LYS 27 1.018 12.452 1.851 198 1HB LYS 27 2HB LYS 27 1.210 13.003 -0.563 199 2HB LYS 27 3HB LYS 27 -0.451 12.444 -0.828 200 1HG LYS 27 2HG LYS 27 -1.362 14.155 0.471 201 2HG LYS 27 3HG LYS 27 0.162 14.419 1.338 202 1HD LYS 27 2HD LYS 27 1.101 15.300 -0.905 203 2HD LYS 27 3HD LYS 27 -0.589 15.330 -1.463 204 1HE LYS 27 2HE LYS 27 -1.146 16.739 0.596 205 2HE LYS 27 3HE LYS 27 0.577 16.745 1.003 206 1HZ LYS 27 1HZ LYS 27 -0.635 17.938 -1.397 207 2HZ LYS 27 2HZ LYS 27 -0.009 18.733 -0.103 208 3HZ LYS 27 3HZ LYS 27 0.985 17.880 -1.094 209 H LEU 28 H LEU 28 -0.562 9.509 1.833 210 HA LEU 28 HA LEU 28 -3.260 10.399 2.366 211 1HB LEU 28 2HB LEU 28 -1.794 7.870 3.137 212 2HB LEU 28 3HB LEU 28 -3.488 8.209 3.391 213 HG LEU 28 HG LEU 28 -2.113 7.466 0.898 214 1HD1 LEU 28 1HD1 LEU 28 -3.588 5.964 2.199 215 2HD1 LEU 28 2HD1 LEU 28 -4.937 7.092 1.914 216 3HD1 LEU 28 3HD1 LEU 28 -4.194 6.224 0.549 217 1HD2 LEU 28 1HD2 LEU 28 -3.868 8.356 -0.582 218 2HD2 LEU 28 2HD2 LEU 28 -4.532 9.307 0.760 219 3HD2 LEU 28 3HD2 LEU 28 -2.904 9.653 0.118 220 H GLN 29 H GLN 29 -4.312 10.198 4.370 221 HA GLN 29 HA GLN 29 -2.769 11.362 6.614 222 1HB GLN 29 2HB GLN 29 -4.821 12.429 7.279 223 2HB GLN 29 3HB GLN 29 -4.431 12.750 5.588 224 1HG GLN 29 2HG GLN 29 -6.057 10.597 5.243 225 2HG GLN 29 3HG GLN 29 -6.674 11.154 6.795 226 1HE2 GLN 29 2HE2 GLN 29 -8.670 11.291 5.346 227 2HE2 GLN 29 1HE2 GLN 29 -8.900 12.798 4.474 228 H GLY 30 H GLY 30 -1.998 9.438 7.471 229 1HA GLY 30 1HA GLY 30 -3.007 7.959 9.431 230 2HA GLY 30 2HA GLY 30 -3.948 7.259 8.124 231 H VAL 31 H VAL 31 -0.726 8.034 7.065 232 HA VAL 31 HA VAL 31 0.119 5.261 7.478 233 HB VAL 31 HB VAL 31 -0.005 7.190 5.094 234 1HG1 VAL 31 1HG1 VAL 31 1.512 5.744 3.760 235 2HG1 VAL 31 2HG1 VAL 31 2.342 6.679 5.003 236 3HG1 VAL 31 3HG1 VAL 31 2.015 4.956 5.262 237 1HG2 VAL 31 1HG2 VAL 31 -1.747 5.470 5.395 238 2HG2 VAL 31 2HG2 VAL 31 -0.811 5.201 3.906 239 3HG2 VAL 31 3HG2 VAL 31 -0.480 4.218 5.356 240 H GLN 32 H GLN 32 2.002 5.101 8.599 241 HA GLN 32 HA GLN 32 3.733 7.455 8.795 242 1HB GLN 32 2HB GLN 32 4.954 6.296 10.376 243 2HB GLN 32 3HB GLN 32 3.261 5.843 10.619 244 1HG GLN 32 2HG GLN 32 3.692 3.682 9.428 245 2HG GLN 32 3HG GLN 32 5.385 4.176 9.239 246 1HE2 GLN 32 2HE2 GLN 32 5.715 2.034 10.346 247 2HE2 GLN 32 1HE2 GLN 32 5.837 2.110 12.092 248 H ARG 33 H ARG 33 3.756 4.433 6.801 249 HA ARG 33 HA ARG 33 6.085 5.339 5.320 250 1HB ARG 33 2HB ARG 33 6.301 3.232 7.474 251 2HB ARG 33 3HB ARG 33 7.001 2.839 5.915 252 1HG ARG 33 2HG ARG 33 8.359 4.835 5.890 253 2HG ARG 33 3HG ARG 33 7.707 5.361 7.455 254 1HD ARG 33 2HD ARG 33 8.665 3.524 8.611 255 2HD ARG 33 3HD ARG 33 9.061 2.665 7.099 256 HE ARG 33 HE ARG 33 10.385 5.121 6.961 257 1HH1 ARG 33 1HH2 ARG 33 10.440 2.328 9.095 258 2HH1 ARG 33 2HH2 ARG 33 12.144 2.385 9.420 259 1HH2 ARG 33 1HH1 ARG 33 12.675 5.209 7.302 260 2HH2 ARG 33 2HH1 ARG 33 13.450 4.075 8.356 261 H ILE 34 H ILE 34 6.651 3.649 3.669 262 HA ILE 34 HA ILE 34 4.542 1.920 2.827 263 HB ILE 34 HB ILE 34 3.561 4.000 2.219 264 1HG1 ILE 34 2HG1 ILE 34 5.056 3.098 -0.218 265 2HG1 ILE 34 3HG1 ILE 34 3.862 2.088 0.528 266 1HG2 ILE 34 1HG2 ILE 34 4.665 5.758 0.861 267 2HG2 ILE 34 2HG2 ILE 34 5.419 5.583 2.435 268 3HG2 ILE 34 3HG2 ILE 34 6.209 4.891 1.005 269 1HD1 ILE 34 1HD1 ILE 34 3.313 4.866 -0.624 270 2HD1 ILE 34 2HD1 ILE 34 2.769 3.321 -1.296 271 3HD1 ILE 34 3HD1 ILE 34 2.138 3.883 0.261 272 H LYS 35 H LYS 35 5.448 0.505 1.365 273 HA LYS 35 HA LYS 35 8.101 0.970 0.328 274 1HB LYS 35 2HB LYS 35 7.629 -0.990 2.519 275 2HB LYS 35 3HB LYS 35 8.594 -1.523 1.130 276 1HG LYS 35 2HG LYS 35 9.174 0.897 2.854 277 2HG LYS 35 3HG LYS 35 9.864 -0.721 3.060 278 1HD LYS 35 2HD LYS 35 10.641 -0.514 0.563 279 2HD LYS 35 3HD LYS 35 10.173 1.175 0.718 280 1HE LYS 35 2HE LYS 35 12.500 1.166 1.140 281 2HE LYS 35 3HE LYS 35 11.746 1.347 2.730 282 1HZ LYS 35 1HZ LYS 35 12.802 -1.154 1.559 283 2HZ LYS 35 2HZ LYS 35 13.509 -0.277 2.755 284 3HZ LYS 35 3HZ LYS 35 12.083 -1.049 3.035 285 H VAL 36 H VAL 36 7.097 1.180 -1.665 286 HA VAL 36 HA VAL 36 5.414 -1.048 -2.611 287 HB VAL 36 HB VAL 36 6.121 1.638 -3.786 288 1HG1 VAL 36 1HG1 VAL 36 4.103 -0.449 -4.744 289 2HG1 VAL 36 2HG1 VAL 36 4.257 1.197 -5.358 290 3HG1 VAL 36 3HG1 VAL 36 5.566 0.017 -5.599 291 1HG2 VAL 36 1HG2 VAL 36 4.597 1.445 -1.678 292 2HG2 VAL 36 2HG2 VAL 36 3.983 2.323 -3.073 293 3HG2 VAL 36 3HG2 VAL 36 3.425 0.676 -2.749 294 H SER 37 H SER 37 6.360 -2.844 -3.746 295 HA SER 37 HA SER 37 9.111 -2.432 -4.784 296 1HB SER 37 2HB SER 37 7.709 -5.019 -4.434 297 2HB SER 37 3HB SER 37 9.440 -4.699 -4.531 298 HG SER 37 HG SER 37 8.508 -5.125 -2.362 299 H LEU 38 H LEU 38 9.277 -4.151 -6.736 300 HA LEU 38 HA LEU 38 6.958 -4.056 -8.520 301 1HB LEU 38 2HB LEU 38 8.303 -3.220 -10.335 302 2HB LEU 38 3HB LEU 38 7.965 -2.018 -9.098 303 HG LEU 38 HG LEU 38 10.630 -3.415 -9.505 304 1HD1 LEU 38 1HD1 LEU 38 11.327 -1.259 -10.423 305 2HD1 LEU 38 2HD1 LEU 38 9.968 -1.919 -11.338 306 3HD1 LEU 38 3HD1 LEU 38 9.684 -0.615 -10.168 307 1HD2 LEU 38 1HD2 LEU 38 11.338 -1.336 -8.040 308 2HD2 LEU 38 2HD2 LEU 38 9.635 -1.350 -7.521 309 3HD2 LEU 38 3HD2 LEU 38 10.677 -2.744 -7.219 310 H ASP 39 H ASP 39 10.422 -5.019 -8.110 311 HA ASP 39 HA ASP 39 10.686 -7.006 -9.891 312 1HB ASP 39 2HB ASP 39 11.556 -7.381 -6.977 313 2HB ASP 39 3HB ASP 39 12.380 -7.913 -8.430 314 H ASN 40 H ASN 40 9.468 -7.390 -6.598 315 HA ASN 40 HA ASN 40 8.674 -10.130 -7.165 316 1HB ASN 40 2HB ASN 40 9.929 -9.232 -5.123 317 2HB ASN 40 3HB ASN 40 8.296 -8.951 -4.492 318 1HD2 ASN 40 2HD2 ASN 40 10.641 -10.971 -3.942 319 2HD2 ASN 40 1HD2 ASN 40 9.823 -12.524 -3.962 320 H GLN 41 H GLN 41 7.240 -7.611 -8.206 321 HA GLN 41 HA GLN 41 5.352 -6.465 -8.147 322 1HB GLN 41 2HB GLN 41 5.227 -9.113 -9.273 323 2HB GLN 41 3HB GLN 41 3.611 -8.755 -8.712 324 1HG GLN 41 2HG GLN 41 3.528 -6.766 -10.119 325 2HG GLN 41 3HG GLN 41 5.267 -6.823 -10.390 326 1HE2 GLN 41 2HE2 GLN 41 2.399 -9.202 -10.962 327 2HE2 GLN 41 1HE2 GLN 41 3.081 -9.610 -12.503 328 H GLU 42 H GLU 42 5.582 -5.921 -5.784 329 HA GLU 42 HA GLU 42 3.129 -6.580 -4.397 330 1HB GLU 42 2HB GLU 42 4.627 -8.528 -3.830 331 2HB GLU 42 3HB GLU 42 5.804 -7.393 -3.153 332 1HG GLU 42 2HG GLU 42 4.212 -6.697 -1.436 333 2HG GLU 42 3HG GLU 42 2.913 -7.633 -2.200 334 H ALA 43 H ALA 43 2.753 -5.207 -2.630 335 HA ALA 43 HA ALA 43 4.633 -2.961 -2.315 336 1HB ALA 43 1HB ALA 43 1.699 -2.792 -3.111 337 2HB ALA 43 2HB ALA 43 2.594 -1.420 -2.425 338 3HB ALA 43 3HB ALA 43 3.089 -2.175 -3.965 339 H THR 44 H THR 44 4.948 -2.368 -0.324 340 HA THR 44 HA THR 44 3.367 -3.486 1.940 341 HB THR 44 HB THR 44 5.938 -1.851 1.784 342 HG1 THR 44 1HG THR 44 6.152 -3.883 0.850 343 1HG2 THR 44 1HG2 THR 44 4.606 -3.384 4.069 344 2HG2 THR 44 2HG2 THR 44 6.264 -2.744 4.142 345 3HG2 THR 44 3HG2 THR 44 4.896 -1.636 3.986 346 H ILE 45 H ILE 45 1.955 -2.098 2.976 347 HA ILE 45 HA ILE 45 2.428 0.853 2.688 348 HB ILE 45 HB ILE 45 -0.283 -0.515 2.823 349 1HG1 ILE 45 2HG1 ILE 45 0.804 -0.873 0.573 350 2HG1 ILE 45 3HG1 ILE 45 -0.715 0.047 0.568 351 1HG2 ILE 45 1HG2 ILE 45 0.584 2.395 2.523 352 2HG2 ILE 45 2HG2 ILE 45 -1.069 1.801 2.277 353 3HG2 ILE 45 3HG2 ILE 45 -0.290 1.647 3.871 354 1HD1 ILE 45 1HD1 ILE 45 1.938 1.402 0.508 355 2HD1 ILE 45 2HD1 ILE 45 1.093 0.897 -0.965 356 3HD1 ILE 45 3HD1 ILE 45 0.349 2.078 0.127 357 H VAL 46 H VAL 46 2.807 1.733 4.721 358 HA VAL 46 HA VAL 46 2.079 -0.038 7.017 359 HB VAL 46 HB VAL 46 3.971 2.293 7.250 360 1HG1 VAL 46 1HG1 VAL 46 4.816 0.798 9.075 361 2HG1 VAL 46 2HG1 VAL 46 3.112 1.271 9.286 362 3HG1 VAL 46 3HG1 VAL 46 3.523 -0.348 8.700 363 1HG2 VAL 46 1HG2 VAL 46 4.571 -0.495 6.252 364 2HG2 VAL 46 2HG2 VAL 46 5.009 1.018 5.463 365 3HG2 VAL 46 3HG2 VAL 46 5.810 0.550 6.973 366 H TYR 47 H TYR 47 0.316 0.574 8.225 367 HA TYR 47 HA TYR 47 -0.381 3.422 8.263 368 1HB TYR 47 2HB TYR 47 -2.498 3.164 7.245 369 2HB TYR 47 3HB TYR 47 -1.549 2.041 6.285 370 HD1 TYR 47 1HD TYR 47 -1.463 -0.484 7.391 371 HD2 TYR 47 2HD TYR 47 -4.527 2.440 8.187 372 HE1 TYR 47 1HE TYR 47 -2.918 -2.239 8.347 373 HE2 TYR 47 2HE TYR 47 -6.049 0.646 8.921 374 HH TYR 47 HH TYR 47 -4.987 -2.750 9.211 375 H GLN 48 H GLN 48 -2.095 4.015 9.622 376 HA GLN 48 HA GLN 48 -1.893 2.458 12.096 377 1HB GLN 48 2HB GLN 48 -1.323 4.911 11.838 378 2HB GLN 48 3HB GLN 48 -3.033 5.226 11.748 379 1HG GLN 48 2HG GLN 48 -3.441 4.378 13.981 380 2HG GLN 48 3HG GLN 48 -1.912 3.493 14.003 381 1HE2 GLN 48 2HE2 GLN 48 -1.425 4.340 16.078 382 2HE2 GLN 48 1HE2 GLN 48 -0.823 5.985 16.208 383 HA PRO 49 HA PRO 49 -6.155 1.129 11.179 384 1HB PRO 49 2HB PRO 49 -6.501 -0.699 13.166 385 2HB PRO 49 3HB PRO 49 -5.435 -0.981 11.765 386 1HG PRO 49 2HG PRO 49 -4.626 0.035 14.505 387 2HG PRO 49 3HG PRO 49 -3.908 -1.325 13.595 388 1HD PRO 49 2HD PRO 49 -2.822 1.139 13.550 389 2HD PRO 49 3HD PRO 49 -2.859 0.151 12.055 390 H HIS 50 H HIS 50 -6.526 3.434 11.756 391 HA HIS 50 HA HIS 50 -8.690 3.708 13.555 392 1HB HIS 50 2HB HIS 50 -6.033 4.295 14.741 393 2HB HIS 50 3HB HIS 50 -7.113 5.682 14.787 394 HD1 HIS 50 1HD HIS 50 -9.786 4.824 15.682 395 HD2 HIS 50 2HD HIS 50 -6.255 2.928 16.969 396 HE1 HIS 50 1HE HIS 50 -10.340 3.656 17.886 397 H LEU 51 H LEU 51 -6.029 5.347 11.802 398 HA LEU 51 HA LEU 51 -7.661 7.750 11.378 399 1HB LEU 51 2HB LEU 51 -4.972 6.977 10.361 400 2HB LEU 51 3HB LEU 51 -5.791 8.479 9.983 401 HG LEU 51 HG LEU 51 -6.044 8.755 12.605 402 1HD1 LEU 51 1HD1 LEU 51 -4.891 6.554 13.167 403 2HD1 LEU 51 2HD1 LEU 51 -3.429 7.242 12.419 404 3HD1 LEU 51 3HD1 LEU 51 -4.119 7.980 13.869 405 1HD2 LEU 51 1HD2 LEU 51 -4.028 10.123 12.640 406 2HD2 LEU 51 2HD2 LEU 51 -3.408 9.321 11.190 407 3HD2 LEU 51 3HD2 LEU 51 -4.870 10.326 11.095 408 H ILE 52 H ILE 52 -6.554 4.929 9.410 409 HA ILE 52 HA ILE 52 -8.539 5.557 7.384 410 HB ILE 52 HB ILE 52 -5.955 6.537 7.162 411 1HG1 ILE 52 2HG1 ILE 52 -6.468 6.125 4.565 412 2HG1 ILE 52 3HG1 ILE 52 -8.059 5.768 5.280 413 1HG2 ILE 52 1HG2 ILE 52 -5.788 3.902 5.655 414 2HG2 ILE 52 2HG2 ILE 52 -4.616 5.241 5.698 415 3HG2 ILE 52 3HG2 ILE 52 -4.910 4.328 7.168 416 1HD1 ILE 52 1HD1 ILE 52 -6.377 8.294 5.538 417 2HD1 ILE 52 2HD1 ILE 52 -7.930 8.160 4.698 418 3HD1 ILE 52 3HD1 ILE 52 -7.869 8.033 6.472 419 H SER 53 H SER 53 -8.832 3.586 5.928 420 HA SER 53 HA SER 53 -8.148 1.098 7.478 421 1HB SER 53 2HB SER 53 -10.296 0.259 6.879 422 2HB SER 53 3HB SER 53 -10.541 1.895 7.511 423 HG SER 53 HG SER 53 -10.731 2.647 5.416 424 H VAL 54 H VAL 54 -8.313 -0.897 6.215 425 HA VAL 54 HA VAL 54 -6.543 -1.268 4.134 426 HB VAL 54 HB VAL 54 -9.060 -2.759 4.892 427 1HG1 VAL 54 1HG1 VAL 54 -8.025 -4.681 3.585 428 2HG1 VAL 54 2HG1 VAL 54 -8.686 -3.386 2.583 429 3HG1 VAL 54 3HG1 VAL 54 -6.937 -3.487 2.852 430 1HG2 VAL 54 1HG2 VAL 54 -6.102 -3.351 5.301 431 2HG2 VAL 54 2HG2 VAL 54 -7.191 -2.735 6.563 432 3HG2 VAL 54 3HG2 VAL 54 -7.444 -4.350 5.875 433 H GLU 55 H GLU 55 -10.079 -0.626 3.859 434 HA GLU 55 HA GLU 55 -10.088 -0.978 1.035 435 1HB GLU 55 2HB GLU 55 -12.068 -1.287 2.436 436 2HB GLU 55 3HB GLU 55 -12.106 0.473 2.681 437 1HG GLU 55 2HG GLU 55 -13.408 0.528 0.793 438 2HG GLU 55 3HG GLU 55 -11.944 0.081 -0.090 439 H GLU 56 H GLU 56 -9.789 2.047 3.050 440 HA GLU 56 HA GLU 56 -9.827 3.913 0.951 441 1HB GLU 56 2HB GLU 56 -8.605 3.714 3.692 442 2HB GLU 56 3HB GLU 56 -7.905 4.894 2.647 443 1HG GLU 56 2HG GLU 56 -9.532 6.212 3.575 444 2HG GLU 56 3HG GLU 56 -10.504 5.456 2.317 445 H MET 57 H MET 57 -7.058 2.003 2.311 446 HA MET 57 HA MET 57 -5.185 2.924 0.492 447 1HB MET 57 2HB MET 57 -4.934 0.114 1.328 448 2HB MET 57 3HB MET 57 -3.785 1.446 1.271 449 1HG MET 57 2HG MET 57 -5.369 2.372 3.282 450 2HG MET 57 3HG MET 57 -5.647 0.624 3.392 451 1HE MET 57 1HE MET 57 -3.648 3.657 4.242 452 2HE MET 57 2HE MET 57 -1.974 3.093 4.257 453 3HE MET 57 3HE MET 57 -2.857 3.196 2.719 454 H LYS 58 H LYS 58 -7.028 -0.208 0.181 455 HA LYS 58 HA LYS 58 -6.091 -0.695 -2.476 456 1HB LYS 58 2HB LYS 58 -6.732 -2.472 -1.797 457 2HB LYS 58 3HB LYS 58 -8.101 -1.949 -0.740 458 1HG LYS 58 2HG LYS 58 -8.274 -1.963 -3.791 459 2HG LYS 58 3HG LYS 58 -8.323 -3.454 -2.913 460 1HD LYS 58 2HD LYS 58 -10.414 -3.021 -1.901 461 2HD LYS 58 3HD LYS 58 -10.160 -1.294 -1.879 462 1HE LYS 58 2HE LYS 58 -11.889 -1.691 -3.489 463 2HE LYS 58 3HE LYS 58 -10.433 -1.202 -4.367 464 1HZ LYS 58 1HZ LYS 58 -11.581 -3.908 -4.236 465 2HZ LYS 58 2HZ LYS 58 -11.157 -2.971 -5.559 466 3HZ LYS 58 3HZ LYS 58 -10.009 -3.618 -4.711 467 H LYS 59 H LYS 59 -9.262 0.706 -1.560 468 HA LYS 59 HA LYS 59 -10.218 1.130 -4.123 469 1HB LYS 59 2HB LYS 59 -11.242 1.510 -1.777 470 2HB LYS 59 3HB LYS 59 -10.669 3.158 -1.925 471 1HG LYS 59 2HG LYS 59 -12.384 1.765 -4.044 472 2HG LYS 59 3HG LYS 59 -13.121 2.449 -2.606 473 1HD LYS 59 2HD LYS 59 -11.349 4.138 -4.415 474 2HD LYS 59 3HD LYS 59 -13.070 3.887 -4.743 475 1HE LYS 59 2HE LYS 59 -13.719 4.811 -2.583 476 2HE LYS 59 3HE LYS 59 -12.034 4.967 -2.071 477 1HZ LYS 59 1HZ LYS 59 -13.234 6.417 -4.333 478 2HZ LYS 59 2HZ LYS 59 -12.968 7.034 -2.832 479 3HZ LYS 59 3HZ LYS 59 -11.691 6.591 -3.768 480 H GLN 60 H GLN 60 -8.110 3.330 -2.156 481 HA GLN 60 HA GLN 60 -7.909 5.310 -4.252 482 1HB GLN 60 2HB GLN 60 -6.053 4.578 -2.022 483 2HB GLN 60 3HB GLN 60 -5.854 6.024 -3.016 484 1HG GLN 60 2HG GLN 60 -8.479 5.536 -1.537 485 2HG GLN 60 3HG GLN 60 -7.088 6.265 -0.744 486 1HE2 GLN 60 2HE2 GLN 60 -6.823 8.468 -0.965 487 2HE2 GLN 60 1HE2 GLN 60 -7.752 9.448 -2.085 488 H ILE 61 H ILE 61 -5.879 2.429 -3.493 489 HA ILE 61 HA ILE 61 -3.918 3.021 -5.534 490 HB ILE 61 HB ILE 61 -4.449 0.567 -3.863 491 1HG1 ILE 61 2HG1 ILE 61 -2.341 2.788 -3.894 492 2HG1 ILE 61 3HG1 ILE 61 -3.673 2.728 -2.776 493 1HG2 ILE 61 1HG2 ILE 61 -2.230 -0.220 -4.704 494 2HG2 ILE 61 2HG2 ILE 61 -3.405 -0.141 -6.002 495 3HG2 ILE 61 3HG2 ILE 61 -2.194 1.147 -5.845 496 1HD1 ILE 61 1HD1 ILE 61 -1.394 0.754 -2.907 497 2HD1 ILE 61 2HD1 ILE 61 -1.771 1.919 -1.626 498 3HD1 ILE 61 3HD1 ILE 61 -2.867 0.548 -1.913 499 H GLU 62 H GLU 62 -6.343 0.265 -5.415 500 HA GLU 62 HA GLU 62 -6.223 -0.463 -8.060 501 1HB GLU 62 2HB GLU 62 -7.929 -0.872 -5.772 502 2HB GLU 62 3HB GLU 62 -8.978 -0.310 -7.044 503 1HG GLU 62 2HG GLU 62 -8.075 -2.139 -8.473 504 2HG GLU 62 3HG GLU 62 -6.996 -2.622 -7.144 505 H ALA 63 H ALA 63 -8.006 2.425 -6.750 506 HA ALA 63 HA ALA 63 -9.415 3.025 -9.104 507 1HB ALA 63 1HB ALA 63 -9.842 4.261 -7.091 508 2HB ALA 63 2HB ALA 63 -8.161 4.870 -7.059 509 3HB ALA 63 3HB ALA 63 -9.291 5.407 -8.320 510 H MET 64 H MET 64 -5.924 3.482 -8.479 511 HA MET 64 HA MET 64 -5.348 5.240 -10.646 512 1HB MET 64 2HB MET 64 -3.707 2.971 -9.444 513 2HB MET 64 3HB MET 64 -3.130 4.231 -10.530 514 1HG MET 64 2HG MET 64 -4.121 4.651 -7.690 515 2HG MET 64 3HG MET 64 -2.482 4.739 -8.325 516 1HE MET 64 1HE MET 64 -2.413 8.414 -7.897 517 2HE MET 64 2HE MET 64 -2.660 7.047 -6.767 518 3HE MET 64 3HE MET 64 -1.464 6.927 -8.087 519 H GLY 65 H GLY 65 -5.814 1.703 -10.442 520 1HA GLY 65 1HA GLY 65 -6.889 0.907 -12.628 521 2HA GLY 65 2HA GLY 65 -5.351 1.380 -13.376 522 H PHE 66 H PHE 66 -4.053 0.592 -10.662 523 HA PHE 66 HA PHE 66 -3.164 -1.954 -11.679 524 1HB PHE 66 2HB PHE 66 -2.442 -0.376 -9.209 525 2HB PHE 66 3HB PHE 66 -1.487 -1.705 -9.896 526 HD1 PHE 66 1HD PHE 66 -1.786 1.799 -9.690 527 HD2 PHE 66 2HD PHE 66 -0.859 -1.320 -12.522 528 HE1 PHE 66 1HE PHE 66 -0.992 3.503 -11.316 529 HE2 PHE 66 2HE PHE 66 0.054 0.384 -14.082 530 HZ PHE 66 HZ PHE 66 -0.127 2.797 -13.519 531 HA PRO 67 HA PRO 67 -6.110 -3.947 -8.754 532 1HB PRO 67 2HB PRO 67 -5.741 -6.558 -9.457 533 2HB PRO 67 3HB PRO 67 -6.715 -5.417 -10.428 534 1HG PRO 67 2HG PRO 67 -3.827 -6.212 -10.858 535 2HG PRO 67 3HG PRO 67 -5.136 -6.158 -12.074 536 1HD PRO 67 2HD PRO 67 -3.344 -4.137 -11.759 537 2HD PRO 67 3HD PRO 67 -5.050 -3.792 -12.177 538 H ALA 68 H ALA 68 -5.637 -4.697 -6.642 539 HA ALA 68 HA ALA 68 -2.915 -5.701 -6.137 540 1HB ALA 68 1HB ALA 68 -2.929 -3.188 -5.904 541 2HB ALA 68 2HB ALA 68 -4.044 -3.400 -4.534 542 3HB ALA 68 3HB ALA 68 -2.427 -4.153 -4.491 543 H PHE 69 H PHE 69 -2.778 -7.157 -4.521 544 HA PHE 69 HA PHE 69 -5.388 -8.038 -3.336 545 1HB PHE 69 2HB PHE 69 -2.916 -9.386 -4.194 546 2HB PHE 69 3HB PHE 69 -3.827 -10.128 -2.880 547 HD1 PHE 69 1HD PHE 69 -6.319 -10.551 -3.154 548 HD2 PHE 69 2HD PHE 69 -3.673 -9.774 -6.480 549 HE1 PHE 69 1HE PHE 69 -7.907 -11.679 -4.683 550 HE2 PHE 69 2HE PHE 69 -5.256 -10.929 -7.995 551 HZ PHE 69 HZ PHE 69 -7.372 -11.886 -7.102 552 H VAL 70 H VAL 70 -5.107 -6.186 -1.877 553 HA VAL 70 HA VAL 70 -3.250 -6.106 0.272 554 HB VAL 70 HB VAL 70 -4.480 -4.240 -0.366 555 1HG1 VAL 70 1HG1 VAL 70 -6.594 -5.202 -0.940 556 2HG1 VAL 70 2HG1 VAL 70 -6.928 -5.571 0.767 557 3HG1 VAL 70 3HG1 VAL 70 -6.777 -3.885 0.241 558 1HG2 VAL 70 1HG2 VAL 70 -3.535 -4.544 1.967 559 2HG2 VAL 70 2HG2 VAL 70 -4.879 -3.397 1.865 560 3HG2 VAL 70 3HG2 VAL 70 -5.158 -5.042 2.488 561 H LYS 71 H LYS 71 -2.709 -8.013 1.182 562 HA LYS 71 HA LYS 71 -4.494 -8.844 3.305 563 1HB LYS 71 2HB LYS 71 -5.603 -10.195 1.773 564 2HB LYS 71 3HB LYS 71 -4.127 -10.653 0.911 565 1HG LYS 71 2HG LYS 71 -3.462 -12.163 2.497 566 2HG LYS 71 3HG LYS 71 -4.325 -11.386 3.821 567 1HD LYS 71 2HD LYS 71 -5.779 -12.771 1.510 568 2HD LYS 71 3HD LYS 71 -5.124 -13.696 2.873 569 1HE LYS 71 2HE LYS 71 -6.445 -12.234 4.458 570 2HE LYS 71 3HE LYS 71 -7.222 -11.477 3.058 571 1HZ LYS 71 1HZ LYS 71 -7.336 -14.345 3.754 572 2HZ LYS 71 2HZ LYS 71 -8.533 -13.250 4.004 573 3HZ LYS 71 3HZ LYS 71 -8.094 -13.645 2.470 574 H LYS 72 H LYS 72 -2.673 -7.968 4.449 575 HA LYS 72 HA LYS 72 -1.326 -10.225 5.503 576 1HB LYS 72 2HB LYS 72 0.182 -8.532 3.751 577 2HB LYS 72 3HB LYS 72 0.761 -8.217 5.374 578 1HG LYS 72 2HG LYS 72 2.205 -9.873 4.923 579 2HG LYS 72 3HG LYS 72 0.883 -10.893 5.479 580 1HD LYS 72 2HD LYS 72 0.466 -10.445 2.654 581 2HD LYS 72 3HD LYS 72 2.183 -10.679 2.827 582 1HE LYS 72 2HE LYS 72 0.067 -12.572 3.962 583 2HE LYS 72 3HE LYS 72 0.786 -12.752 2.361 584 1HZ LYS 72 1HZ LYS 72 2.349 -12.738 4.859 585 2HZ LYS 72 2HZ LYS 72 1.911 -14.091 4.025 586 3HZ LYS 72 3HZ LYS 72 2.929 -12.992 3.345 587 H ILE 73 H ILE 73 -0.515 -9.566 7.671 588 HA ILE 73 HA ILE 73 -0.942 -6.778 8.447 589 HB ILE 73 HB ILE 73 -2.363 -9.130 9.810 590 1HG1 ILE 73 2HG1 ILE 73 -4.170 -7.078 9.758 591 2HG1 ILE 73 3HG1 ILE 73 -3.240 -6.642 8.347 592 1HG2 ILE 73 1HG2 ILE 73 -1.894 -6.364 10.966 593 2HG2 ILE 73 2HG2 ILE 73 -3.059 -7.539 11.594 594 3HG2 ILE 73 3HG2 ILE 73 -1.353 -7.900 11.664 595 1HD1 ILE 73 1HD1 ILE 73 -4.715 -9.255 8.925 596 2HD1 ILE 73 2HD1 ILE 73 -5.147 -8.018 7.727 597 3HD1 ILE 73 3HD1 ILE 73 -3.718 -9.033 7.480 598 H GLU 74 H GLU 74 1.353 -7.080 8.030 599 HA GLU 74 HA GLU 74 2.824 -8.632 10.143 600 1HB GLU 74 2HB GLU 74 3.424 -7.916 7.379 601 2HB GLU 74 3HB GLU 74 4.702 -7.362 8.479 602 1HG GLU 74 2HG GLU 74 4.937 -9.674 9.296 603 2HG GLU 74 3HG GLU 74 3.584 -10.185 8.263 604 H GLY 75 H GLY 75 4.868 -7.273 10.890 605 1HA GLY 75 1HA GLY 75 4.347 -4.442 11.390 606 2HA GLY 75 2HA GLY 75 4.351 -5.502 12.825 607 H ARG 76 H ARG 76 6.459 -3.471 12.376 608 HA ARG 76 HA ARG 76 8.834 -4.946 12.449 609 1HB ARG 76 2HB ARG 76 8.228 -5.145 9.931 610 2HB ARG 76 3HB ARG 76 8.340 -3.388 9.867 611 1HG ARG 76 2HG ARG 76 10.712 -4.526 11.152 612 2HG ARG 76 3HG ARG 76 10.412 -5.365 9.631 613 1HD ARG 76 2HD ARG 76 10.456 -3.329 8.364 614 2HD ARG 76 3HD ARG 76 10.417 -2.316 9.807 615 HE ARG 76 HE ARG 76 12.724 -3.665 8.629 616 1HH1 ARG 76 1HH2 ARG 76 11.411 -2.376 11.690 617 2HH1 ARG 76 2HH2 ARG 76 12.958 -1.969 12.342 618 1HH2 ARG 76 1HH1 ARG 76 14.793 -3.198 9.533 619 2HH2 ARG 76 2HH1 ARG 76 14.925 -2.487 11.107 Start of MODEL 12 1 1H GLY 1 1H GLY 1 2.610 -1.530 16.109 2 2H GLY 1 2H GLY 1 3.020 -1.342 17.704 3 3H GLY 1 3H GLY 1 1.441 -1.185 17.211 4 1HA GLY 1 1HA GLY 1 2.364 0.974 17.629 5 2HA GLY 1 2HA GLY 1 3.619 0.602 16.428 6 H GLU 2 H GLU 2 3.177 1.082 14.367 7 HA GLU 2 HA GLU 2 0.502 1.562 13.258 8 1HB GLU 2 2HB GLU 2 1.852 1.688 11.148 9 2HB GLU 2 3HB GLU 2 2.408 2.781 12.417 10 1HG GLU 2 2HG GLU 2 3.775 0.099 12.252 11 2HG GLU 2 3HG GLU 2 4.114 1.299 11.016 12 H VAL 3 H VAL 3 0.382 0.148 10.999 13 HA VAL 3 HA VAL 3 0.986 -2.708 11.540 14 HB VAL 3 HB VAL 3 -1.599 -1.511 10.504 15 1HG1 VAL 3 1HG1 VAL 3 -2.398 -3.827 10.199 16 2HG1 VAL 3 2HG1 VAL 3 -1.119 -3.401 9.065 17 3HG1 VAL 3 3HG1 VAL 3 -0.746 -4.426 10.474 18 1HG2 VAL 3 1HG2 VAL 3 -1.411 -1.698 12.999 19 2HG2 VAL 3 2HG2 VAL 3 -2.626 -2.820 12.355 20 3HG2 VAL 3 3HG2 VAL 3 -1.025 -3.420 12.827 21 H VAL 4 H VAL 4 1.680 -3.755 9.742 22 HA VAL 4 HA VAL 4 2.130 -2.240 7.227 23 HB VAL 4 HB VAL 4 3.637 -4.416 8.561 24 1HG1 VAL 4 1HG1 VAL 4 5.027 -4.548 6.453 25 2HG1 VAL 4 2HG1 VAL 4 3.416 -5.261 6.318 26 3HG1 VAL 4 3HG1 VAL 4 3.726 -3.647 5.635 27 1HG2 VAL 4 1HG2 VAL 4 4.454 -1.818 7.311 28 2HG2 VAL 4 2HG2 VAL 4 4.311 -2.118 9.068 29 3HG2 VAL 4 3HG2 VAL 4 5.566 -2.937 8.116 30 H LEU 5 H LEU 5 0.889 -2.913 5.560 31 HA LEU 5 HA LEU 5 -0.240 -5.668 5.602 32 1HB LEU 5 2HB LEU 5 -2.162 -4.833 4.537 33 2HB LEU 5 3HB LEU 5 -1.809 -3.612 5.767 34 HG LEU 5 HG LEU 5 -0.419 -2.560 3.849 35 1HD1 LEU 5 1HD1 LEU 5 -1.351 -4.588 2.311 36 2HD1 LEU 5 2HD1 LEU 5 -2.724 -3.489 2.155 37 3HD1 LEU 5 3HD1 LEU 5 -1.105 -2.962 1.672 38 1HD2 LEU 5 1HD2 LEU 5 -2.566 -1.235 3.194 39 2HD2 LEU 5 2HD2 LEU 5 -3.385 -2.295 4.338 40 3HD2 LEU 5 3HD2 LEU 5 -2.066 -1.254 4.893 41 H LYS 6 H LYS 6 -0.053 -6.737 3.524 42 HA LYS 6 HA LYS 6 1.857 -5.494 1.611 43 1HB LYS 6 2HB LYS 6 2.441 -7.709 3.200 44 2HB LYS 6 3HB LYS 6 1.831 -8.434 1.714 45 1HG LYS 6 2HG LYS 6 3.997 -8.329 1.208 46 2HG LYS 6 3HG LYS 6 3.489 -6.767 0.539 47 1HD LYS 6 2HD LYS 6 4.246 -5.619 2.589 48 2HD LYS 6 3HD LYS 6 4.663 -7.152 3.356 49 1HE LYS 6 2HE LYS 6 5.965 -6.019 0.836 50 2HE LYS 6 3HE LYS 6 6.651 -5.953 2.468 51 1HZ LYS 6 1HZ LYS 6 6.137 -8.386 0.886 52 2HZ LYS 6 2HZ LYS 6 7.585 -7.749 1.211 53 3HZ LYS 6 3HZ LYS 6 6.694 -8.395 2.437 54 H MET 7 H MET 7 0.791 -5.162 -0.314 55 HA MET 7 HA MET 7 -1.366 -7.039 -1.079 56 1HB MET 7 2HB MET 7 -0.780 -4.537 -2.641 57 2HB MET 7 3HB MET 7 -2.259 -5.467 -2.462 58 1HG MET 7 2HG MET 7 -2.434 -4.551 -0.110 59 2HG MET 7 3HG MET 7 -1.049 -3.514 -0.506 60 1HE MET 7 1HE MET 7 -4.079 -0.979 -0.528 61 2HE MET 7 2HE MET 7 -3.998 -2.414 0.511 62 3HE MET 7 3HE MET 7 -2.542 -1.412 0.253 63 H LYS 8 H LYS 8 -1.065 -8.291 -2.907 64 HA LYS 8 HA LYS 8 1.573 -8.117 -4.275 65 1HB LYS 8 2HB LYS 8 0.274 -10.196 -3.700 66 2HB LYS 8 3HB LYS 8 -0.603 -9.886 -5.215 67 1HG LYS 8 2HG LYS 8 1.331 -10.045 -6.548 68 2HG LYS 8 3HG LYS 8 2.467 -9.765 -5.199 69 1HD LYS 8 2HD LYS 8 1.770 -11.733 -4.063 70 2HD LYS 8 3HD LYS 8 0.529 -12.010 -5.324 71 1HE LYS 8 2HE LYS 8 2.600 -12.059 -6.983 72 2HE LYS 8 3HE LYS 8 3.623 -12.092 -5.537 73 1HZ LYS 8 1HZ LYS 8 1.669 -14.132 -6.354 74 2HZ LYS 8 2HZ LYS 8 3.306 -14.267 -6.386 75 3HZ LYS 8 3HZ LYS 8 2.530 -14.175 -4.940 76 H VAL 9 H VAL 9 1.695 -6.964 -6.368 77 HA VAL 9 HA VAL 9 -0.895 -5.932 -7.443 78 HB VAL 9 HB VAL 9 0.278 -3.923 -8.055 79 1HG1 VAL 9 1HG1 VAL 9 0.342 -4.391 -5.048 80 2HG1 VAL 9 2HG1 VAL 9 0.237 -2.819 -5.865 81 3HG1 VAL 9 3HG1 VAL 9 -1.094 -3.977 -6.009 82 1HG2 VAL 9 1HG2 VAL 9 2.602 -4.621 -8.064 83 2HG2 VAL 9 2HG2 VAL 9 2.417 -3.265 -6.941 84 3HG2 VAL 9 3HG2 VAL 9 2.570 -4.904 -6.304 85 H GLU 10 H GLU 10 -1.046 -5.912 -9.648 86 HA GLU 10 HA GLU 10 1.052 -7.519 -11.052 87 1HB GLU 10 2HB GLU 10 -1.818 -7.341 -11.838 88 2HB GLU 10 3HB GLU 10 -0.590 -8.469 -12.406 89 1HG GLU 10 2HG GLU 10 -1.657 -8.367 -9.550 90 2HG GLU 10 3HG GLU 10 -2.161 -9.517 -10.799 91 H GLY 11 H GLY 11 1.908 -6.633 -12.886 92 1HA GLY 11 1HA GLY 11 1.619 -5.609 -15.035 93 2HA GLY 11 2HA GLY 11 0.468 -4.454 -14.361 94 H MET 12 H MET 12 2.189 -3.887 -11.973 95 HA MET 12 HA MET 12 3.646 -1.689 -13.151 96 1HB MET 12 2HB MET 12 3.417 -2.778 -10.320 97 2HB MET 12 3HB MET 12 4.492 -1.441 -10.767 98 1HG MET 12 2HG MET 12 2.584 -0.207 -11.736 99 2HG MET 12 3HG MET 12 1.473 -1.433 -11.130 100 1HE MET 12 1HE MET 12 0.209 -0.871 -8.909 101 2HE MET 12 2HE MET 12 1.447 -2.121 -8.654 102 3HE MET 12 3HE MET 12 1.212 -0.833 -7.440 103 H THR 13 H THR 13 5.199 -2.540 -14.564 104 HA THR 13 HA THR 13 7.454 -4.036 -13.361 105 HB THR 13 HB THR 13 7.948 -4.423 -15.837 106 HG1 THR 13 1HG THR 13 6.053 -4.058 -17.139 107 1HG2 THR 13 1HG2 THR 13 5.288 -5.396 -14.702 108 2HG2 THR 13 2HG2 THR 13 6.212 -6.153 -16.016 109 3HG2 THR 13 3HG2 THR 13 6.886 -6.100 -14.378 110 H CYS 14 HN CYS 14 7.153 -0.983 -12.989 111 HA CYS 14 HA CYS 14 9.951 -0.523 -13.571 112 1HB CYS 14 2HB CYS 14 9.737 1.494 -14.806 113 2HB CYS 14 3HB CYS 14 8.762 0.298 -15.655 114 H HIS 15 H HIS 15 10.732 1.396 -12.396 115 HA HIS 15 HA HIS 15 9.471 1.446 -9.818 116 1HB HIS 15 2HB HIS 15 11.345 2.535 -9.012 117 2HB HIS 15 3HB HIS 15 11.971 1.455 -10.257 118 HD1 HIS 15 1HD HIS 15 11.102 5.186 -9.730 119 HD2 HIS 15 2HD HIS 15 13.405 2.656 -12.178 120 HE1 HIS 15 1HE HIS 15 12.590 6.704 -11.159 121 H SER 16 H SER 16 8.986 3.342 -12.658 122 HA SER 16 HA SER 16 8.456 5.876 -11.461 123 1HB SER 16 2HB SER 16 7.211 4.687 -13.972 124 2HB SER 16 3HB SER 16 7.274 6.391 -13.504 125 HG SER 16 HG SER 16 8.991 5.746 -14.951 126 H CYS 17 HN CYS 17 6.245 3.131 -12.367 127 HA CYS 17 HA CYS 17 3.909 4.249 -11.306 128 1HB CYS 17 2HB CYS 17 4.642 1.294 -11.328 129 2HB CYS 17 3HB CYS 17 3.034 2.036 -11.248 130 H THR 18 H THR 18 6.278 2.069 -9.709 131 HA THR 18 HA THR 18 5.012 1.832 -7.234 132 HB THR 18 HB THR 18 7.184 1.212 -6.349 133 HG1 THR 18 1HG THR 18 9.041 1.544 -7.408 134 1HG2 THR 18 1HG2 THR 18 7.131 0.225 -9.227 135 2HG2 THR 18 2HG2 THR 18 7.744 -0.617 -7.800 136 3HG2 THR 18 3HG2 THR 18 5.998 -0.359 -8.007 137 H SER 19 H SER 19 7.661 4.094 -8.054 138 HA SER 19 HA SER 19 7.559 5.649 -5.699 139 1HB SER 19 2HB SER 19 9.365 5.640 -7.416 140 2HB SER 19 3HB SER 19 8.316 6.565 -8.513 141 HG SER 19 HG SER 19 9.806 7.846 -7.213 142 H THR 20 H THR 20 5.722 6.177 -8.788 143 HA THR 20 HA THR 20 4.454 8.581 -8.021 144 HB THR 20 HB THR 20 3.577 6.306 -9.849 145 HG1 THR 20 1HG THR 20 4.772 8.853 -10.203 146 1HG2 THR 20 1HG2 THR 20 2.300 9.048 -9.479 147 2HG2 THR 20 2HG2 THR 20 2.012 7.959 -10.854 148 3HG2 THR 20 3HG2 THR 20 1.528 7.464 -9.227 149 H ILE 21 H ILE 21 3.409 5.143 -7.430 150 HA ILE 21 HA ILE 21 1.010 5.925 -6.062 151 HB ILE 21 HB ILE 21 2.669 3.464 -6.584 152 1HG1 ILE 21 2HG1 ILE 21 -0.339 3.598 -6.560 153 2HG1 ILE 21 3HG1 ILE 21 0.543 4.498 -7.797 154 1HG2 ILE 21 1HG2 ILE 21 1.283 2.074 -5.133 155 2HG2 ILE 21 2HG2 ILE 21 2.417 3.120 -4.272 156 3HG2 ILE 21 3HG2 ILE 21 0.673 3.551 -4.346 157 1HD1 ILE 21 1HD1 ILE 21 0.950 1.536 -7.279 158 2HD1 ILE 21 2HD1 ILE 21 -0.043 2.236 -8.565 159 3HD1 ILE 21 3HD1 ILE 21 1.702 2.529 -8.555 160 H GLU 22 H GLU 22 4.257 4.944 -4.906 161 HA GLU 22 HA GLU 22 3.898 5.240 -2.165 162 1HB GLU 22 2HB GLU 22 6.161 5.293 -4.085 163 2HB GLU 22 3HB GLU 22 6.521 6.178 -2.642 164 1HG GLU 22 2HG GLU 22 5.774 4.145 -1.311 165 2HG GLU 22 3HG GLU 22 5.518 3.299 -2.844 166 H GLY 23 H GLY 23 4.728 7.810 -4.513 167 1HA GLY 23 1HA GLY 23 4.654 10.021 -2.777 168 2HA GLY 23 2HA GLY 23 4.321 10.047 -4.515 169 H LYS 24 H LYS 24 1.988 8.813 -4.951 170 HA LYS 24 HA LYS 24 0.154 10.779 -4.171 171 1HB LYS 24 2HB LYS 24 0.072 9.021 -6.155 172 2HB LYS 24 3HB LYS 24 -0.655 7.968 -4.974 173 1HG LYS 24 2HG LYS 24 -2.556 8.832 -5.798 174 2HG LYS 24 3HG LYS 24 -2.333 9.994 -4.520 175 1HD LYS 24 2HD LYS 24 -1.180 10.544 -7.291 176 2HD LYS 24 3HD LYS 24 -2.922 10.669 -7.026 177 1HE LYS 24 2HE LYS 24 -2.552 12.308 -5.188 178 2HE LYS 24 3HE LYS 24 -0.809 12.272 -5.514 179 1HZ LYS 24 1HZ LYS 24 -2.876 13.101 -7.441 180 2HZ LYS 24 2HZ LYS 24 -1.902 14.111 -6.588 181 3HZ LYS 24 3HZ LYS 24 -1.251 13.101 -7.710 182 H ILE 25 H ILE 25 0.461 7.446 -3.049 183 HA ILE 25 HA ILE 25 -1.688 7.661 -1.160 184 HB ILE 25 HB ILE 25 0.411 5.555 -1.512 185 1HG1 ILE 25 2HG1 ILE 25 -0.844 5.824 -3.515 186 2HG1 ILE 25 3HG1 ILE 25 -1.144 4.280 -2.714 187 1HG2 ILE 25 1HG2 ILE 25 -0.479 5.328 0.723 188 2HG2 ILE 25 2HG2 ILE 25 -2.136 5.524 0.131 189 3HG2 ILE 25 3HG2 ILE 25 -1.197 4.074 -0.298 190 1HD1 ILE 25 1HD1 ILE 25 -2.920 6.734 -2.686 191 2HD1 ILE 25 2HD1 ILE 25 -3.205 5.227 -3.577 192 3HD1 ILE 25 3HD1 ILE 25 -3.241 5.222 -1.794 193 H GLY 26 H GLY 26 1.874 8.035 -0.978 194 1HA GLY 26 1HA GLY 26 2.297 8.234 1.749 195 2HA GLY 26 2HA GLY 26 3.093 9.222 0.513 196 H LYS 27 H LYS 27 0.518 10.550 -0.361 197 HA LYS 27 HA LYS 27 0.551 12.649 1.648 198 1HB LYS 27 2HB LYS 27 0.730 13.268 -0.599 199 2HB LYS 27 3HB LYS 27 -0.658 12.307 -1.104 200 1HG LYS 27 2HG LYS 27 -2.210 13.714 -0.199 201 2HG LYS 27 3HG LYS 27 -1.061 14.553 0.855 202 1HD LYS 27 2HD LYS 27 -0.647 14.686 -2.140 203 2HD LYS 27 3HD LYS 27 -1.946 15.657 -1.419 204 1HE LYS 27 2HE LYS 27 -0.382 16.727 0.138 205 2HE LYS 27 3HE LYS 27 0.960 15.740 -0.463 206 1HZ LYS 27 1HZ LYS 27 -0.550 17.703 -2.066 207 2HZ LYS 27 2HZ LYS 27 0.919 17.962 -1.379 208 3HZ LYS 27 3HZ LYS 27 0.765 16.840 -2.568 209 H LEU 28 H LEU 28 -1.221 9.708 1.618 210 HA LEU 28 HA LEU 28 -3.790 10.731 2.468 211 1HB LEU 28 2HB LEU 28 -2.435 8.093 2.979 212 2HB LEU 28 3HB LEU 28 -4.081 8.541 3.363 213 HG LEU 28 HG LEU 28 -2.920 7.922 0.668 214 1HD1 LEU 28 1HD1 LEU 28 -4.181 6.309 2.052 215 2HD1 LEU 28 2HD1 LEU 28 -5.555 7.436 2.056 216 3HD1 LEU 28 3HD1 LEU 28 -5.024 6.666 0.536 217 1HD2 LEU 28 1HD2 LEU 28 -3.842 10.148 0.191 218 2HD2 LEU 28 2HD2 LEU 28 -4.883 8.889 -0.474 219 3HD2 LEU 28 3HD2 LEU 28 -5.361 9.711 1.021 220 H GLN 29 H GLN 29 -4.421 11.372 4.468 221 HA GLN 29 HA GLN 29 -2.467 11.547 6.633 222 1HB GLN 29 2HB GLN 29 -3.952 13.366 6.408 223 2HB GLN 29 3HB GLN 29 -5.390 12.318 6.388 224 1HG GLN 29 2HG GLN 29 -5.126 11.747 8.718 225 2HG GLN 29 3HG GLN 29 -3.517 12.498 8.775 226 1HE2 GLN 29 2HE2 GLN 29 -4.554 13.640 10.698 227 2HE2 GLN 29 1HE2 GLN 29 -5.434 15.114 10.331 228 H GLY 30 H GLY 30 -2.012 9.824 7.776 229 1HA GLY 30 1HA GLY 30 -3.065 8.454 9.639 230 2HA GLY 30 2HA GLY 30 -4.094 7.743 8.395 231 H VAL 31 H VAL 31 -1.371 8.253 6.726 232 HA VAL 31 HA VAL 31 -0.437 5.552 7.157 233 HB VAL 31 HB VAL 31 -0.889 6.882 4.943 234 1HG1 VAL 31 1HG1 VAL 31 0.911 8.094 3.951 235 2HG1 VAL 31 2HG1 VAL 31 0.575 8.833 5.524 236 3HG1 VAL 31 3HG1 VAL 31 1.990 7.781 5.321 237 1HG2 VAL 31 1HG2 VAL 31 0.099 4.586 5.038 238 2HG2 VAL 31 2HG2 VAL 31 0.758 5.555 3.707 239 3HG2 VAL 31 3HG2 VAL 31 1.711 5.320 5.183 240 H GLN 32 H GLN 32 1.710 5.021 7.599 241 HA GLN 32 HA GLN 32 3.344 7.036 9.103 242 1HB GLN 32 2HB GLN 32 2.948 4.053 9.396 243 2HB GLN 32 3HB GLN 32 4.296 4.909 10.141 244 1HG GLN 32 2HG GLN 32 1.667 6.162 10.615 245 2HG GLN 32 3HG GLN 32 1.845 4.564 11.317 246 1HE2 GLN 32 2HE2 GLN 32 2.067 5.114 13.528 247 2HE2 GLN 32 1HE2 GLN 32 3.394 6.115 14.101 248 H ARG 33 H ARG 33 3.343 4.349 6.668 249 HA ARG 33 HA ARG 33 5.429 5.595 5.169 250 1HB ARG 33 2HB ARG 33 6.502 4.249 7.270 251 2HB ARG 33 3HB ARG 33 6.311 2.884 6.180 252 1HG ARG 33 2HG ARG 33 7.814 3.821 4.573 253 2HG ARG 33 3HG ARG 33 7.590 5.462 5.216 254 1HD ARG 33 2HD ARG 33 8.661 4.679 7.358 255 2HD ARG 33 3HD ARG 33 9.189 3.221 6.481 256 HE ARG 33 HE ARG 33 9.973 5.256 4.827 257 1HH1 ARG 33 1HH2 ARG 33 10.571 4.611 8.241 258 2HH1 ARG 33 2HH2 ARG 33 11.887 5.733 8.397 259 1HH2 ARG 33 1HH1 ARG 33 11.697 6.784 4.993 260 2HH2 ARG 33 2HH1 ARG 33 12.571 6.962 6.477 261 H ILE 34 H ILE 34 6.115 4.053 3.361 262 HA ILE 34 HA ILE 34 4.217 2.054 2.653 263 HB ILE 34 HB ILE 34 2.927 4.029 2.120 264 1HG1 ILE 34 2HG1 ILE 34 4.062 2.933 -0.468 265 2HG1 ILE 34 3HG1 ILE 34 2.987 2.039 0.596 266 1HG2 ILE 34 1HG2 ILE 34 5.371 5.069 0.643 267 2HG2 ILE 34 2HG2 ILE 34 3.751 5.758 0.479 268 3HG2 ILE 34 3HG2 ILE 34 4.554 5.775 2.038 269 1HD1 ILE 34 1HD1 ILE 34 2.246 4.677 -0.677 270 2HD1 ILE 34 2HD1 ILE 34 1.706 3.070 -1.199 271 3HD1 ILE 34 3HD1 ILE 34 1.235 3.687 0.399 272 H LYS 35 H LYS 35 5.198 0.805 1.081 273 HA LYS 35 HA LYS 35 7.619 1.625 -0.166 274 1HB LYS 35 2HB LYS 35 7.607 -0.450 1.990 275 2HB LYS 35 3HB LYS 35 8.535 -0.784 0.520 276 1HG LYS 35 2HG LYS 35 8.887 1.655 2.288 277 2HG LYS 35 3HG LYS 35 9.809 0.150 2.399 278 1HD LYS 35 2HD LYS 35 10.371 0.510 -0.138 279 2HD LYS 35 3HD LYS 35 9.675 2.112 0.077 280 1HE LYS 35 2HE LYS 35 12.045 2.343 0.304 281 2HE LYS 35 3HE LYS 35 11.339 2.570 1.911 282 1HZ LYS 35 1HZ LYS 35 12.582 0.085 0.903 283 2HZ LYS 35 2HZ LYS 35 13.280 1.144 1.948 284 3HZ LYS 35 3HZ LYS 35 11.958 0.286 2.412 285 H VAL 36 H VAL 36 7.831 0.687 -2.270 286 HA VAL 36 HA VAL 36 6.135 -1.748 -2.735 287 HB VAL 36 HB VAL 36 6.485 0.701 -4.470 288 1HG1 VAL 36 1HG1 VAL 36 6.269 -1.379 -5.867 289 2HG1 VAL 36 2HG1 VAL 36 4.829 -1.840 -4.941 290 3HG1 VAL 36 3HG1 VAL 36 4.797 -0.401 -5.970 291 1HG2 VAL 36 1HG2 VAL 36 4.892 1.136 -2.664 292 2HG2 VAL 36 2HG2 VAL 36 4.070 1.028 -4.216 293 3HG2 VAL 36 3HG2 VAL 36 3.991 -0.331 -3.081 294 H SER 37 H SER 37 6.840 -3.233 -4.191 295 HA SER 37 HA SER 37 9.753 -3.305 -4.798 296 1HB SER 37 2HB SER 37 7.960 -5.510 -3.905 297 2HB SER 37 3HB SER 37 9.691 -5.656 -4.252 298 HG SER 37 HG SER 37 9.255 -5.426 -1.996 299 H LEU 38 H LEU 38 10.292 -4.410 -6.686 300 HA LEU 38 HA LEU 38 8.227 -4.386 -8.797 301 1HB LEU 38 2HB LEU 38 10.077 -2.976 -9.090 302 2HB LEU 38 3HB LEU 38 11.236 -4.232 -8.621 303 HG LEU 38 HG LEU 38 10.767 -5.440 -10.720 304 1HD1 LEU 38 1HD1 LEU 38 9.571 -4.266 -12.536 305 2HD1 LEU 38 2HD1 LEU 38 8.476 -4.653 -11.195 306 3HD1 LEU 38 3HD1 LEU 38 9.077 -2.990 -11.398 307 1HD2 LEU 38 1HD2 LEU 38 11.957 -3.864 -12.190 308 2HD2 LEU 38 2HD2 LEU 38 11.588 -2.531 -11.073 309 3HD2 LEU 38 3HD2 LEU 38 12.644 -3.865 -10.557 310 H ASP 39 H ASP 39 11.095 -6.411 -7.881 311 HA ASP 39 HA ASP 39 10.874 -8.441 -9.632 312 1HB ASP 39 2HB ASP 39 11.528 -8.870 -6.675 313 2HB ASP 39 3HB ASP 39 12.117 -9.775 -8.055 314 H ASN 40 H ASN 40 9.548 -8.495 -6.348 315 HA ASN 40 HA ASN 40 8.002 -10.853 -6.922 316 1HB ASN 40 2HB ASN 40 9.227 -10.119 -4.755 317 2HB ASN 40 3HB ASN 40 7.613 -9.508 -4.343 318 1HD2 ASN 40 2HD2 ASN 40 9.554 -12.010 -3.717 319 2HD2 ASN 40 1HD2 ASN 40 8.411 -13.338 -3.710 320 H GLN 41 H GLN 41 7.556 -7.751 -7.746 321 HA GLN 41 HA GLN 41 6.118 -6.123 -7.795 322 1HB GLN 41 2HB GLN 41 5.702 -8.148 -9.506 323 2HB GLN 41 3HB GLN 41 4.071 -8.042 -8.880 324 1HG GLN 41 2HG GLN 41 3.887 -5.746 -9.651 325 2HG GLN 41 3HG GLN 41 5.634 -5.590 -9.859 326 1HE2 GLN 41 2HE2 GLN 41 6.660 -7.232 -11.386 327 2HE2 GLN 41 1HE2 GLN 41 5.794 -7.502 -12.897 328 H GLU 42 H GLU 42 5.931 -5.731 -5.521 329 HA GLU 42 HA GLU 42 3.423 -6.634 -4.202 330 1HB GLU 42 2HB GLU 42 5.161 -8.354 -3.840 331 2HB GLU 42 3HB GLU 42 6.232 -7.146 -3.112 332 1HG GLU 42 2HG GLU 42 4.857 -6.914 -1.221 333 2HG GLU 42 3HG GLU 42 3.439 -7.622 -2.024 334 H ALA 43 H ALA 43 2.777 -5.294 -2.506 335 HA ALA 43 HA ALA 43 4.059 -2.600 -2.431 336 1HB ALA 43 1HB ALA 43 1.800 -1.670 -2.591 337 2HB ALA 43 2HB ALA 43 2.192 -2.662 -4.006 338 3HB ALA 43 3HB ALA 43 1.126 -3.304 -2.741 339 H THR 44 H THR 44 4.679 -2.206 -0.467 340 HA THR 44 HA THR 44 3.476 -3.302 1.989 341 HB THR 44 HB THR 44 5.899 -1.463 1.427 342 HG1 THR 44 1HG THR 44 7.106 -3.277 1.345 343 1HG2 THR 44 1HG2 THR 44 5.172 -3.165 3.862 344 2HG2 THR 44 2HG2 THR 44 6.708 -2.304 3.643 345 3HG2 THR 44 3HG2 THR 44 5.202 -1.390 3.780 346 H ILE 45 H ILE 45 1.883 -2.119 3.010 347 HA ILE 45 HA ILE 45 2.036 0.866 2.767 348 HB ILE 45 HB ILE 45 -0.393 -0.949 2.671 349 1HG1 ILE 45 2HG1 ILE 45 -0.863 0.471 0.682 350 2HG1 ILE 45 3HG1 ILE 45 0.799 1.089 0.786 351 1HG2 ILE 45 1HG2 ILE 45 -0.817 0.928 4.224 352 2HG2 ILE 45 2HG2 ILE 45 -0.241 2.065 2.981 353 3HG2 ILE 45 3HG2 ILE 45 -1.693 1.074 2.706 354 1HD1 ILE 45 1HD1 ILE 45 0.409 -1.866 0.525 355 2HD1 ILE 45 2HD1 ILE 45 0.058 -0.839 -0.877 356 3HD1 ILE 45 3HD1 ILE 45 1.661 -0.802 -0.157 357 H VAL 46 H VAL 46 2.386 1.782 4.674 358 HA VAL 46 HA VAL 46 2.110 0.083 7.100 359 HB VAL 46 HB VAL 46 4.134 2.287 6.696 360 1HG1 VAL 46 1HG1 VAL 46 3.833 1.782 8.915 361 2HG1 VAL 46 2HG1 VAL 46 3.818 0.032 8.648 362 3HG1 VAL 46 3HG1 VAL 46 5.326 0.954 8.437 363 1HG2 VAL 46 1HG2 VAL 46 5.721 0.272 6.246 364 2HG2 VAL 46 2HG2 VAL 46 4.233 -0.540 5.693 365 3HG2 VAL 46 3HG2 VAL 46 4.770 0.944 4.915 366 H TYR 47 H TYR 47 0.326 0.828 8.232 367 HA TYR 47 HA TYR 47 -0.119 3.768 8.336 368 1HB TYR 47 2HB TYR 47 -2.305 3.652 7.496 369 2HB TYR 47 3HB TYR 47 -1.367 2.688 6.364 370 HD1 TYR 47 1HD TYR 47 -1.355 0.095 6.734 371 HD2 TYR 47 2HD TYR 47 -4.164 2.723 8.685 372 HE1 TYR 47 1HE TYR 47 -2.819 -1.833 7.241 373 HE2 TYR 47 2HE TYR 47 -5.653 0.802 9.119 374 HH TYR 47 HH TYR 47 -4.793 -2.537 8.216 375 H GLN 48 H GLN 48 -1.906 4.389 9.753 376 HA GLN 48 HA GLN 48 -1.546 2.917 12.254 377 1HB GLN 48 2HB GLN 48 -0.968 5.375 11.747 378 2HB GLN 48 3HB GLN 48 -2.687 5.683 11.839 379 1HG GLN 48 2HG GLN 48 -1.573 6.084 14.011 380 2HG GLN 48 3HG GLN 48 -2.761 4.780 14.144 381 1HE2 GLN 48 2HE2 GLN 48 -2.012 3.065 15.373 382 2HE2 GLN 48 1HE2 GLN 48 -0.362 2.489 15.392 383 HA PRO 49 HA PRO 49 -5.780 1.568 11.259 384 1HB PRO 49 2HB PRO 49 -6.111 -0.401 13.115 385 2HB PRO 49 3HB PRO 49 -5.014 -0.583 11.715 386 1HG PRO 49 2HG PRO 49 -4.261 0.324 14.515 387 2HG PRO 49 3HG PRO 49 -3.541 -1.011 13.584 388 1HD PRO 49 2HD PRO 49 -2.416 1.428 13.595 389 2HD PRO 49 3HD PRO 49 -2.507 0.531 12.052 390 H HIS 50 H HIS 50 -6.425 3.634 11.821 391 HA HIS 50 HA HIS 50 -8.613 3.807 13.550 392 1HB HIS 50 2HB HIS 50 -6.033 4.734 14.800 393 2HB HIS 50 3HB HIS 50 -7.396 5.842 14.903 394 HD1 HIS 50 1HD HIS 50 -6.147 2.745 16.554 395 HD2 HIS 50 2HD HIS 50 -9.739 4.864 16.071 396 HE1 HIS 50 1HE HIS 50 -7.697 1.997 18.452 397 H LEU 51 H LEU 51 -5.879 5.566 12.019 398 HA LEU 51 HA LEU 51 -7.517 7.925 11.526 399 1HB LEU 51 2HB LEU 51 -4.828 7.117 10.567 400 2HB LEU 51 3HB LEU 51 -5.544 8.702 10.259 401 HG LEU 51 HG LEU 51 -5.063 7.559 13.063 402 1HD1 LEU 51 1HD1 LEU 51 -2.905 7.990 11.909 403 2HD1 LEU 51 2HD1 LEU 51 -3.424 9.665 11.601 404 3HD1 LEU 51 3HD1 LEU 51 -3.178 9.093 13.261 405 1HD2 LEU 51 1HD2 LEU 51 -5.860 10.344 12.116 406 2HD2 LEU 51 2HD2 LEU 51 -6.830 9.241 13.118 407 3HD2 LEU 51 3HD2 LEU 51 -5.358 9.949 13.771 408 H ILE 52 H ILE 52 -6.088 5.359 9.450 409 HA ILE 52 HA ILE 52 -8.197 5.775 7.456 410 HB ILE 52 HB ILE 52 -5.712 6.876 7.173 411 1HG1 ILE 52 2HG1 ILE 52 -6.014 6.480 4.684 412 2HG1 ILE 52 3HG1 ILE 52 -7.495 5.610 5.190 413 1HG2 ILE 52 1HG2 ILE 52 -5.321 4.248 5.715 414 2HG2 ILE 52 2HG2 ILE 52 -4.168 5.573 6.048 415 3HG2 ILE 52 3HG2 ILE 52 -4.667 4.530 7.369 416 1HD1 ILE 52 1HD1 ILE 52 -6.776 8.542 5.622 417 2HD1 ILE 52 2HD1 ILE 52 -8.066 7.921 4.600 418 3HD1 ILE 52 3HD1 ILE 52 -8.196 7.781 6.365 419 H SER 53 H SER 53 -7.815 3.714 5.788 420 HA SER 53 HA SER 53 -7.251 1.308 7.434 421 1HB SER 53 2HB SER 53 -9.350 0.320 6.931 422 2HB SER 53 3HB SER 53 -9.728 1.947 7.514 423 HG SER 53 HG SER 53 -10.875 1.656 5.627 424 H VAL 54 H VAL 54 -7.338 -0.650 6.057 425 HA VAL 54 HA VAL 54 -5.797 -0.693 3.727 426 HB VAL 54 HB VAL 54 -8.105 -2.476 4.542 427 1HG1 VAL 54 1HG1 VAL 54 -6.837 -4.160 3.072 428 2HG1 VAL 54 2HG1 VAL 54 -7.685 -2.883 2.202 429 3HG1 VAL 54 3HG1 VAL 54 -5.930 -2.747 2.447 430 1HG2 VAL 54 1HG2 VAL 54 -5.210 -3.269 4.808 431 2HG2 VAL 54 2HG2 VAL 54 -5.976 -2.319 6.099 432 3HG2 VAL 54 3HG2 VAL 54 -6.626 -3.901 5.635 433 H GLU 55 H GLU 55 -9.269 0.177 4.147 434 HA GLU 55 HA GLU 55 -9.904 -0.574 1.443 435 1HB GLU 55 2HB GLU 55 -11.406 -0.431 3.566 436 2HB GLU 55 3HB GLU 55 -11.634 1.243 3.036 437 1HG GLU 55 2HG GLU 55 -12.022 -0.983 1.034 438 2HG GLU 55 3HG GLU 55 -13.233 -0.772 2.295 439 H GLU 56 H GLU 56 -9.229 2.557 3.021 440 HA GLU 56 HA GLU 56 -9.592 4.201 0.733 441 1HB GLU 56 2HB GLU 56 -8.806 4.522 3.507 442 2HB GLU 56 3HB GLU 56 -7.543 5.244 2.523 443 1HG GLU 56 2HG GLU 56 -10.504 5.854 2.118 444 2HG GLU 56 3HG GLU 56 -9.434 6.790 3.162 445 H MET 57 H MET 57 -6.646 2.648 2.241 446 HA MET 57 HA MET 57 -4.793 3.304 0.333 447 1HB MET 57 2HB MET 57 -5.207 0.767 1.846 448 2HB MET 57 3HB MET 57 -3.738 1.179 0.984 449 1HG MET 57 2HG MET 57 -4.913 2.901 3.193 450 2HG MET 57 3HG MET 57 -3.709 1.661 3.461 451 1HE MET 57 1HE MET 57 -3.795 5.016 3.942 452 2HE MET 57 2HE MET 57 -2.566 3.944 4.673 453 3HE MET 57 3HE MET 57 -2.071 5.366 3.712 454 H LYS 58 H LYS 58 -6.870 0.322 0.154 455 HA LYS 58 HA LYS 58 -5.978 -0.319 -2.479 456 1HB LYS 58 2HB LYS 58 -6.891 -2.080 -1.649 457 2HB LYS 58 3HB LYS 58 -8.246 -1.260 -0.763 458 1HG LYS 58 2HG LYS 58 -9.320 -0.968 -3.085 459 2HG LYS 58 3HG LYS 58 -7.987 -1.924 -3.753 460 1HD LYS 58 2HD LYS 58 -9.956 -2.866 -1.617 461 2HD LYS 58 3HD LYS 58 -10.179 -3.032 -3.366 462 1HE LYS 58 2HE LYS 58 -7.607 -4.085 -2.989 463 2HE LYS 58 3HE LYS 58 -8.478 -4.645 -1.551 464 1HZ LYS 58 1HZ LYS 58 -9.204 -4.929 -4.381 465 2HZ LYS 58 2HZ LYS 58 -8.671 -6.153 -3.436 466 3HZ LYS 58 3HZ LYS 58 -10.169 -5.490 -3.158 467 H LYS 59 H LYS 59 -9.092 1.313 -1.516 468 HA LYS 59 HA LYS 59 -10.151 1.665 -3.958 469 1HB LYS 59 2HB LYS 59 -10.926 2.443 -1.514 470 2HB LYS 59 3HB LYS 59 -10.173 3.956 -1.991 471 1HG LYS 59 2HG LYS 59 -12.221 4.372 -2.842 472 2HG LYS 59 3HG LYS 59 -11.611 3.448 -4.219 473 1HD LYS 59 2HD LYS 59 -13.429 2.089 -3.938 474 2HD LYS 59 3HD LYS 59 -12.587 1.434 -2.526 475 1HE LYS 59 2HE LYS 59 -13.633 3.346 -1.158 476 2HE LYS 59 3HE LYS 59 -14.619 3.719 -2.589 477 1HZ LYS 59 1HZ LYS 59 -14.602 1.263 -0.975 478 2HZ LYS 59 2HZ LYS 59 -15.807 2.327 -1.087 479 3HZ LYS 59 3HZ LYS 59 -15.442 1.377 -2.391 480 H GLN 60 H GLN 60 -7.768 3.794 -2.311 481 HA GLN 60 HA GLN 60 -7.527 5.661 -4.499 482 1HB GLN 60 2HB GLN 60 -5.666 4.888 -2.293 483 2HB GLN 60 3HB GLN 60 -5.411 6.306 -3.327 484 1HG GLN 60 2HG GLN 60 -7.995 5.931 -1.724 485 2HG GLN 60 3HG GLN 60 -6.570 6.698 -1.050 486 1HE2 GLN 60 2HE2 GLN 60 -8.980 7.968 -1.141 487 2HE2 GLN 60 1HE2 GLN 60 -8.868 9.329 -2.269 488 H ILE 61 H ILE 61 -5.623 2.712 -3.629 489 HA ILE 61 HA ILE 61 -3.736 3.025 -5.787 490 HB ILE 61 HB ILE 61 -4.328 0.678 -4.000 491 1HG1 ILE 61 2HG1 ILE 61 -2.099 2.763 -4.169 492 2HG1 ILE 61 3HG1 ILE 61 -3.402 2.860 -3.026 493 1HG2 ILE 61 1HG2 ILE 61 -2.139 1.149 -6.089 494 2HG2 ILE 61 2HG2 ILE 61 -2.137 -0.184 -4.911 495 3HG2 ILE 61 3HG2 ILE 61 -3.372 -0.124 -6.152 496 1HD1 ILE 61 1HD1 ILE 61 -1.287 0.711 -3.096 497 2HD1 ILE 61 2HD1 ILE 61 -1.572 1.943 -1.854 498 3HD1 ILE 61 3HD1 ILE 61 -2.760 0.641 -2.089 499 H GLU 62 H GLU 62 -6.305 0.416 -5.387 500 HA GLU 62 HA GLU 62 -6.245 -0.489 -8.007 501 1HB GLU 62 2HB GLU 62 -7.929 -0.706 -5.612 502 2HB GLU 62 3HB GLU 62 -8.943 -0.414 -6.973 503 1HG GLU 62 2HG GLU 62 -7.865 -2.383 -8.124 504 2HG GLU 62 3HG GLU 62 -6.871 -2.638 -6.680 505 H ALA 63 H ALA 63 -7.925 2.504 -6.771 506 HA ALA 63 HA ALA 63 -9.430 2.976 -9.107 507 1HB ALA 63 1HB ALA 63 -9.785 4.381 -7.201 508 2HB ALA 63 2HB ALA 63 -8.079 4.936 -7.233 509 3HB ALA 63 3HB ALA 63 -9.210 5.408 -8.514 510 H MET 64 H MET 64 -5.905 3.432 -8.636 511 HA MET 64 HA MET 64 -5.368 5.059 -10.898 512 1HB MET 64 2HB MET 64 -3.777 2.780 -9.694 513 2HB MET 64 3HB MET 64 -3.199 3.950 -10.874 514 1HG MET 64 2HG MET 64 -4.058 4.607 -8.036 515 2HG MET 64 3HG MET 64 -2.424 4.475 -8.675 516 1HE MET 64 1HE MET 64 -1.475 6.708 -7.921 517 2HE MET 64 2HE MET 64 -2.378 8.229 -8.060 518 3HE MET 64 3HE MET 64 -3.007 6.908 -7.033 519 H GLY 65 H GLY 65 -5.950 1.552 -10.504 520 1HA GLY 65 1HA GLY 65 -7.167 0.635 -12.531 521 2HA GLY 65 2HA GLY 65 -5.717 1.081 -13.449 522 H PHE 66 H PHE 66 -4.192 0.409 -10.770 523 HA PHE 66 HA PHE 66 -3.306 -2.128 -11.764 524 1HB PHE 66 2HB PHE 66 -2.658 -0.628 -9.230 525 2HB PHE 66 3HB PHE 66 -1.678 -1.929 -9.940 526 HD1 PHE 66 1HD PHE 66 -1.947 1.532 -9.557 527 HD2 PHE 66 2HD PHE 66 -1.038 -1.409 -12.575 528 HE1 PHE 66 1HE PHE 66 -0.895 3.292 -10.955 529 HE2 PHE 66 2HE PHE 66 -0.012 0.366 -13.980 530 HZ PHE 66 HZ PHE 66 -0.045 2.726 -13.208 531 HA PRO 67 HA PRO 67 -6.285 -4.207 -8.958 532 1HB PRO 67 2HB PRO 67 -5.828 -6.814 -9.650 533 2HB PRO 67 3HB PRO 67 -6.771 -5.686 -10.670 534 1HG PRO 67 2HG PRO 67 -3.846 -6.424 -10.940 535 2HG PRO 67 3HG PRO 67 -5.084 -6.397 -12.230 536 1HD PRO 67 2HD PRO 67 -3.351 -4.338 -11.808 537 2HD PRO 67 3HD PRO 67 -5.036 -4.028 -12.329 538 H ALA 68 H ALA 68 -5.907 -4.862 -6.847 539 HA ALA 68 HA ALA 68 -3.139 -5.694 -6.146 540 1HB ALA 68 1HB ALA 68 -4.777 -3.683 -4.594 541 2HB ALA 68 2HB ALA 68 -3.133 -4.293 -4.266 542 3HB ALA 68 3HB ALA 68 -3.438 -3.291 -5.703 543 H PHE 69 H PHE 69 -2.948 -7.249 -4.825 544 HA PHE 69 HA PHE 69 -5.291 -8.662 -3.624 545 1HB PHE 69 2HB PHE 69 -2.598 -9.719 -4.393 546 2HB PHE 69 3HB PHE 69 -3.870 -10.607 -3.587 547 HD1 PHE 69 1HD PHE 69 -2.790 -9.163 -6.826 548 HD2 PHE 69 2HD PHE 69 -5.983 -11.201 -4.742 549 HE1 PHE 69 1HE PHE 69 -3.822 -9.771 -8.983 550 HE2 PHE 69 2HE PHE 69 -6.991 -11.827 -6.915 551 HZ PHE 69 HZ PHE 69 -5.917 -11.112 -9.039 552 H VAL 70 H VAL 70 -5.202 -6.997 -1.920 553 HA VAL 70 HA VAL 70 -3.114 -6.942 0.041 554 HB VAL 70 HB VAL 70 -4.619 -5.171 -0.139 555 1HG1 VAL 70 1HG1 VAL 70 -6.862 -5.230 0.607 556 2HG1 VAL 70 2HG1 VAL 70 -6.666 -6.525 -0.599 557 3HG1 VAL 70 3HG1 VAL 70 -6.722 -6.920 1.134 558 1HG2 VAL 70 1HG2 VAL 70 -4.851 -6.522 2.588 559 2HG2 VAL 70 2HG2 VAL 70 -3.352 -5.803 1.984 560 3HG2 VAL 70 3HG2 VAL 70 -4.778 -4.788 2.224 561 H LYS 71 H LYS 71 -2.328 -8.844 0.917 562 HA LYS 71 HA LYS 71 -4.205 -10.378 2.541 563 1HB LYS 71 2HB LYS 71 -3.732 -12.490 1.567 564 2HB LYS 71 3HB LYS 71 -4.622 -11.416 0.479 565 1HG LYS 71 2HG LYS 71 -2.408 -10.794 -0.530 566 2HG LYS 71 3HG LYS 71 -1.681 -12.084 0.425 567 1HD LYS 71 2HD LYS 71 -3.331 -13.702 -0.624 568 2HD LYS 71 3HD LYS 71 -3.896 -12.377 -1.663 569 1HE LYS 71 2HE LYS 71 -1.541 -12.157 -2.569 570 2HE LYS 71 3HE LYS 71 -1.071 -13.552 -1.581 571 1HZ LYS 71 1HZ LYS 71 -3.058 -13.563 -3.762 572 2HZ LYS 71 2HZ LYS 71 -1.563 -14.239 -3.799 573 3HZ LYS 71 3HZ LYS 71 -2.712 -14.856 -2.803 574 H LYS 72 H LYS 72 -2.375 -8.857 3.710 575 HA LYS 72 HA LYS 72 -0.855 -10.826 5.178 576 1HB LYS 72 2HB LYS 72 0.422 -8.942 3.277 577 2HB LYS 72 3HB LYS 72 1.169 -8.966 4.868 578 1HG LYS 72 2HG LYS 72 0.681 -11.627 3.551 579 2HG LYS 72 3HG LYS 72 1.922 -10.615 2.843 580 1HD LYS 72 2HD LYS 72 1.855 -11.231 5.826 581 2HD LYS 72 3HD LYS 72 2.581 -12.335 4.645 582 1HE LYS 72 2HE LYS 72 4.095 -10.516 3.844 583 2HE LYS 72 3HE LYS 72 3.432 -9.427 5.066 584 1HZ LYS 72 1HZ LYS 72 4.980 -11.891 5.575 585 2HZ LYS 72 2HZ LYS 72 5.418 -10.327 5.857 586 3HZ LYS 72 3HZ LYS 72 4.255 -10.980 6.752 587 H ILE 73 H ILE 73 -0.122 -9.886 7.177 588 HA ILE 73 HA ILE 73 -1.044 -7.190 7.891 589 HB ILE 73 HB ILE 73 -3.004 -8.693 8.091 590 1HG1 ILE 73 2HG1 ILE 73 -3.557 -8.349 10.521 591 2HG1 ILE 73 3HG1 ILE 73 -1.953 -7.645 10.742 592 1HG2 ILE 73 1HG2 ILE 73 -3.180 -10.525 9.581 593 2HG2 ILE 73 2HG2 ILE 73 -1.795 -10.834 8.536 594 3HG2 ILE 73 3HG2 ILE 73 -1.548 -10.303 10.211 595 1HD1 ILE 73 1HD1 ILE 73 -4.098 -6.682 8.787 596 2HD1 ILE 73 2HD1 ILE 73 -3.694 -5.935 10.343 597 3HD1 ILE 73 3HD1 ILE 73 -2.510 -5.921 9.020 598 H GLU 74 H GLU 74 1.452 -7.446 7.644 599 HA GLU 74 HA GLU 74 2.755 -9.025 9.778 600 1HB GLU 74 2HB GLU 74 3.534 -8.884 7.346 601 2HB GLU 74 3HB GLU 74 4.094 -7.251 7.713 602 1HG GLU 74 2HG GLU 74 5.436 -8.305 9.643 603 2HG GLU 74 3HG GLU 74 5.046 -9.878 8.947 604 H GLY 75 H GLY 75 1.362 -7.420 11.223 605 1HA GLY 75 1HA GLY 75 2.081 -4.767 11.787 606 2HA GLY 75 2HA GLY 75 1.593 -5.953 13.011 607 H ARG 76 H ARG 76 4.145 -3.988 11.936 608 HA ARG 76 HA ARG 76 6.213 -5.877 12.123 609 1HB ARG 76 2HB ARG 76 6.188 -3.822 10.641 610 2HB ARG 76 3HB ARG 76 6.458 -2.842 12.092 611 1HG ARG 76 2HG ARG 76 8.582 -3.125 11.022 612 2HG ARG 76 3HG ARG 76 8.607 -4.107 12.475 613 1HD ARG 76 2HD ARG 76 7.757 -6.030 10.703 614 2HD ARG 76 3HD ARG 76 8.465 -4.920 9.564 615 HE ARG 76 HE ARG 76 10.538 -5.582 10.231 616 1HH1 ARG 76 1HH2 ARG 76 8.454 -6.275 13.085 617 2HH1 ARG 76 2HH2 ARG 76 9.337 -7.672 13.529 618 1HH2 ARG 76 1HH1 ARG 76 11.848 -7.294 11.035 619 2HH2 ARG 76 2HH1 ARG 76 11.402 -8.129 12.490 Start of MODEL 13 1 1H GLY 1 1H GLY 1 4.553 2.534 15.722 2 2H GLY 1 2H GLY 1 6.165 2.391 15.267 3 3H GLY 1 3H GLY 1 4.946 2.740 14.170 4 1HA GLY 1 1HA GLY 1 5.494 0.476 13.894 5 2HA GLY 1 2HA GLY 1 5.139 0.198 15.622 6 H GLU 2 H GLU 2 3.650 -0.630 12.996 7 HA GLU 2 HA GLU 2 1.023 0.661 13.320 8 1HB GLU 2 2HB GLU 2 3.144 1.609 11.360 9 2HB GLU 2 3HB GLU 2 1.508 1.452 10.770 10 1HG GLU 2 2HG GLU 2 1.390 3.579 11.419 11 2HG GLU 2 3HG GLU 2 0.815 2.837 12.900 12 H VAL 3 H VAL 3 -0.291 0.056 11.000 13 HA VAL 3 HA VAL 3 -0.001 -2.797 11.116 14 HB VAL 3 HB VAL 3 -2.020 -1.930 11.705 15 1HG1 VAL 3 1HG1 VAL 3 -2.549 0.107 10.497 16 2HG1 VAL 3 2HG1 VAL 3 -2.234 -0.649 8.923 17 3HG1 VAL 3 3HG1 VAL 3 -3.651 -1.095 9.873 18 1HG2 VAL 3 1HG2 VAL 3 -3.364 -3.326 10.300 19 2HG2 VAL 3 2HG2 VAL 3 -2.071 -3.242 9.058 20 3HG2 VAL 3 3HG2 VAL 3 -1.756 -4.038 10.626 21 H VAL 4 H VAL 4 1.111 -3.705 9.731 22 HA VAL 4 HA VAL 4 1.966 -2.527 7.141 23 HB VAL 4 HB VAL 4 3.180 -4.343 8.999 24 1HG1 VAL 4 1HG1 VAL 4 2.202 -6.233 7.738 25 2HG1 VAL 4 2HG1 VAL 4 2.845 -5.567 6.220 26 3HG1 VAL 4 3HG1 VAL 4 3.941 -6.143 7.493 27 1HG2 VAL 4 1HG2 VAL 4 4.122 -3.398 6.284 28 2HG2 VAL 4 2HG2 VAL 4 4.357 -2.559 7.846 29 3HG2 VAL 4 3HG2 VAL 4 5.132 -4.116 7.551 30 H LEU 5 H LEU 5 0.834 -2.951 5.345 31 HA LEU 5 HA LEU 5 -0.800 -5.451 5.192 32 1HB LEU 5 2HB LEU 5 -1.331 -2.619 4.274 33 2HB LEU 5 3HB LEU 5 -1.799 -3.933 3.212 34 HG LEU 5 HG LEU 5 -3.655 -3.281 4.521 35 1HD1 LEU 5 1HD1 LEU 5 -3.155 -5.812 4.050 36 2HD1 LEU 5 2HD1 LEU 5 -2.842 -5.923 5.776 37 3HD1 LEU 5 3HD1 LEU 5 -4.436 -5.405 5.216 38 1HD2 LEU 5 1HD2 LEU 5 -2.211 -4.138 7.045 39 2HD2 LEU 5 2HD2 LEU 5 -2.314 -2.446 6.540 40 3HD2 LEU 5 3HD2 LEU 5 -3.791 -3.363 6.930 41 H LYS 6 H LYS 6 0.096 -6.861 3.827 42 HA LYS 6 HA LYS 6 1.993 -5.868 1.748 43 1HB LYS 6 2HB LYS 6 2.362 -7.921 3.560 44 2HB LYS 6 3HB LYS 6 1.671 -8.769 2.173 45 1HG LYS 6 2HG LYS 6 3.865 -8.936 1.707 46 2HG LYS 6 3HG LYS 6 3.467 -7.481 0.781 47 1HD LYS 6 2HD LYS 6 4.308 -6.055 2.620 48 2HD LYS 6 3HD LYS 6 4.621 -7.472 3.632 49 1HE LYS 6 2HE LYS 6 5.981 -6.809 0.981 50 2HE LYS 6 3HE LYS 6 6.680 -6.583 2.595 51 1HZ LYS 6 1HZ LYS 6 6.020 -9.099 1.244 52 2HZ LYS 6 2HZ LYS 6 7.494 -8.586 1.663 53 3HZ LYS 6 3HZ LYS 6 6.440 -9.046 2.849 54 H MET 7 H MET 7 1.009 -5.581 -0.172 55 HA MET 7 HA MET 7 -1.278 -7.282 -0.939 56 1HB MET 7 2HB MET 7 -1.703 -5.214 -2.481 57 2HB MET 7 3HB MET 7 -2.256 -5.213 -0.813 58 1HG MET 7 2HG MET 7 -0.426 -3.871 -0.064 59 2HG MET 7 3HG MET 7 0.247 -3.893 -1.701 60 1HE MET 7 1HE MET 7 -1.925 -2.139 0.834 61 2HE MET 7 2HE MET 7 -3.166 -1.296 -0.126 62 3HE MET 7 3HE MET 7 -3.222 -3.056 0.051 63 H LYS 8 H LYS 8 -0.938 -8.517 -2.700 64 HA LYS 8 HA LYS 8 1.623 -8.279 -4.148 65 1HB LYS 8 2HB LYS 8 -0.765 -10.058 -4.748 66 2HB LYS 8 3HB LYS 8 0.734 -9.961 -5.662 67 1HG LYS 8 2HG LYS 8 1.141 -11.707 -4.317 68 2HG LYS 8 3HG LYS 8 1.968 -10.378 -3.471 69 1HD LYS 8 2HD LYS 8 0.175 -10.281 -1.786 70 2HD LYS 8 3HD LYS 8 -0.835 -11.320 -2.794 71 1HE LYS 8 2HE LYS 8 0.032 -12.724 -1.038 72 2HE LYS 8 3HE LYS 8 0.909 -13.164 -2.511 73 1HZ LYS 8 1HZ LYS 8 1.894 -11.451 -0.315 74 2HZ LYS 8 2HZ LYS 8 2.475 -12.929 -0.757 75 3HZ LYS 8 3HZ LYS 8 2.702 -11.588 -1.666 76 H VAL 9 H VAL 9 1.854 -7.250 -6.251 77 HA VAL 9 HA VAL 9 -0.592 -5.977 -7.339 78 HB VAL 9 HB VAL 9 0.819 -4.022 -7.869 79 1HG1 VAL 9 1HG1 VAL 9 0.617 -2.945 -5.633 80 2HG1 VAL 9 2HG1 VAL 9 -0.815 -3.881 -6.089 81 3HG1 VAL 9 3HG1 VAL 9 0.334 -4.545 -4.910 82 1HG2 VAL 9 1HG2 VAL 9 2.786 -5.182 -5.873 83 2HG2 VAL 9 2HG2 VAL 9 3.028 -4.906 -7.618 84 3HG2 VAL 9 3HG2 VAL 9 2.834 -3.537 -6.525 85 H GLU 10 H GLU 10 -0.611 -5.976 -9.492 86 HA GLU 10 HA GLU 10 1.418 -7.718 -10.819 87 1HB GLU 10 2HB GLU 10 -1.347 -7.010 -11.806 88 2HB GLU 10 3HB GLU 10 -0.245 -8.243 -12.439 89 1HG GLU 10 2HG GLU 10 -1.492 -8.282 -9.650 90 2HG GLU 10 3HG GLU 10 -2.041 -9.225 -11.042 91 H GLY 11 H GLY 11 2.382 -6.983 -12.793 92 1HA GLY 11 1HA GLY 11 2.700 -5.664 -14.651 93 2HA GLY 11 2HA GLY 11 1.315 -4.675 -14.181 94 H MET 12 H MET 12 2.270 -3.777 -11.622 95 HA MET 12 HA MET 12 3.872 -1.552 -12.420 96 1HB MET 12 2HB MET 12 3.291 -2.609 -9.627 97 2HB MET 12 3HB MET 12 4.180 -1.125 -10.033 98 1HG MET 12 2HG MET 12 2.120 -0.420 -11.394 99 2HG MET 12 3HG MET 12 1.248 -1.699 -10.550 100 1HE MET 12 1HE MET 12 0.735 -1.616 -7.934 101 2HE MET 12 2HE MET 12 2.487 -1.537 -7.593 102 3HE MET 12 3HE MET 12 1.378 -0.372 -6.837 103 H THR 13 H THR 13 5.577 -2.582 -13.537 104 HA THR 13 HA THR 13 7.966 -2.991 -11.861 105 HB THR 13 HB THR 13 7.069 -4.752 -14.159 106 HG1 THR 13 1HG THR 13 6.675 -4.839 -11.402 107 1HG2 THR 13 1HG2 THR 13 9.379 -4.951 -12.195 108 2HG2 THR 13 2HG2 THR 13 8.836 -6.284 -13.238 109 3HG2 THR 13 3HG2 THR 13 9.476 -4.800 -13.964 110 H CYS 14 HN CYS 14 7.230 -0.660 -12.893 111 HA CYS 14 HA CYS 14 9.101 -0.141 -15.178 112 1HB CYS 14 2HB CYS 14 7.511 1.705 -15.690 113 2HB CYS 14 3HB CYS 14 6.750 0.115 -15.819 114 H HIS 15 H HIS 15 8.680 0.294 -11.859 115 HA HIS 15 HA HIS 15 9.383 1.682 -10.308 116 1HB HIS 15 2HB HIS 15 11.536 1.491 -11.446 117 2HB HIS 15 3HB HIS 15 11.190 2.956 -12.371 118 HD1 HIS 15 1HD HIS 15 12.593 4.844 -11.340 119 HD2 HIS 15 2HD HIS 15 10.956 2.195 -8.507 120 HE1 HIS 15 1HE HIS 15 13.265 5.721 -9.037 121 H SER 16 H SER 16 8.081 3.211 -13.194 122 HA SER 16 HA SER 16 7.626 5.791 -12.104 123 1HB SER 16 2HB SER 16 7.632 5.239 -14.503 124 2HB SER 16 3HB SER 16 6.117 4.342 -14.328 125 HG SER 16 HG SER 16 5.746 6.496 -14.987 126 H CYS 17 HN CYS 17 4.974 3.475 -12.837 127 HA CYS 17 HA CYS 17 2.934 4.576 -11.484 128 1HB CYS 17 2HB CYS 17 3.586 1.609 -11.766 129 2HB CYS 17 3HB CYS 17 2.012 2.280 -11.366 130 H THR 18 H THR 18 5.056 2.094 -10.082 131 HA THR 18 HA THR 18 4.064 2.051 -7.466 132 HB THR 18 HB THR 18 5.534 0.359 -8.073 133 HG1 THR 18 1HG THR 18 7.120 2.006 -6.389 134 1HG2 THR 18 1HG2 THR 18 7.712 2.384 -8.660 135 2HG2 THR 18 2HG2 THR 18 7.887 0.625 -8.654 136 3HG2 THR 18 3HG2 THR 18 6.866 1.385 -9.876 137 H SER 19 H SER 19 6.543 4.305 -8.823 138 HA SER 19 HA SER 19 7.057 5.584 -6.265 139 1HB SER 19 2HB SER 19 8.692 5.485 -8.105 140 2HB SER 19 3HB SER 19 7.641 6.498 -9.118 141 HG SER 19 HG SER 19 9.344 7.602 -7.906 142 H THR 20 H THR 20 4.993 6.373 -9.128 143 HA THR 20 HA THR 20 3.892 8.794 -8.187 144 HB THR 20 HB THR 20 2.643 6.528 -9.810 145 HG1 THR 20 1HG THR 20 3.889 8.980 -10.483 146 1HG2 THR 20 1HG2 THR 20 1.614 9.356 -9.355 147 2HG2 THR 20 2HG2 THR 20 1.061 8.253 -10.636 148 3HG2 THR 20 3HG2 THR 20 0.796 7.830 -8.942 149 H ILE 21 H ILE 21 2.751 5.423 -7.590 150 HA ILE 21 HA ILE 21 0.697 6.241 -5.779 151 HB ILE 21 HB ILE 21 1.754 3.753 -6.821 152 1HG1 ILE 21 2HG1 ILE 21 -0.780 4.120 -5.212 153 2HG1 ILE 21 3HG1 ILE 21 -0.572 4.842 -6.801 154 1HG2 ILE 21 1HG2 ILE 21 1.099 3.641 -3.870 155 2HG2 ILE 21 2HG2 ILE 21 1.331 2.257 -4.947 156 3HG2 ILE 21 3HG2 ILE 21 2.700 3.311 -4.594 157 1HD1 ILE 21 1HD1 ILE 21 -0.399 1.873 -6.242 158 2HD1 ILE 21 2HD1 ILE 21 -1.679 2.751 -7.111 159 3HD1 ILE 21 3HD1 ILE 21 -0.035 2.670 -7.787 160 H GLU 22 H GLU 22 4.100 5.317 -5.160 161 HA GLU 22 HA GLU 22 3.887 5.479 -2.396 162 1HB GLU 22 2HB GLU 22 6.008 5.161 -4.321 163 2HB GLU 22 3HB GLU 22 6.558 6.332 -3.147 164 1HG GLU 22 2HG GLU 22 5.900 4.744 -1.329 165 2HG GLU 22 3HG GLU 22 5.257 3.629 -2.564 166 H GLY 23 H GLY 23 4.701 8.090 -4.660 167 1HA GLY 23 1HA GLY 23 4.837 10.256 -2.877 168 2HA GLY 23 2HA GLY 23 4.259 10.333 -4.550 169 H LYS 24 H LYS 24 1.919 8.980 -4.618 170 HA LYS 24 HA LYS 24 0.162 10.897 -3.517 171 1HB LYS 24 2HB LYS 24 -0.111 9.147 -5.513 172 2HB LYS 24 3HB LYS 24 -0.819 8.137 -4.260 173 1HG LYS 24 2HG LYS 24 -2.677 9.205 -5.115 174 2HG LYS 24 3HG LYS 24 -2.305 10.245 -3.730 175 1HD LYS 24 2HD LYS 24 -1.101 11.827 -5.300 176 2HD LYS 24 3HD LYS 24 -1.376 10.695 -6.619 177 1HE LYS 24 2HE LYS 24 -2.979 12.413 -6.906 178 2HE LYS 24 3HE LYS 24 -3.852 10.974 -6.369 179 1HZ LYS 24 1HZ LYS 24 -3.091 13.274 -4.688 180 2HZ LYS 24 2HZ LYS 24 -4.600 12.930 -5.238 181 3HZ LYS 24 3HZ LYS 24 -3.882 11.933 -4.145 182 H ILE 25 H ILE 25 0.693 7.543 -2.552 183 HA ILE 25 HA ILE 25 -1.089 7.460 -0.356 184 HB ILE 25 HB ILE 25 1.305 5.770 -1.022 185 1HG1 ILE 25 2HG1 ILE 25 -0.675 5.717 -2.590 186 2HG1 ILE 25 3HG1 ILE 25 -0.114 4.188 -1.902 187 1HG2 ILE 25 1HG2 ILE 25 1.085 5.539 1.312 188 2HG2 ILE 25 2HG2 ILE 25 -0.695 5.518 1.215 189 3HG2 ILE 25 3HG2 ILE 25 0.242 4.143 0.632 190 1HD1 ILE 25 1HD1 ILE 25 -2.409 5.780 -0.736 191 2HD1 ILE 25 2HD1 ILE 25 -2.593 4.451 -1.897 192 3HD1 ILE 25 3HD1 ILE 25 -1.879 4.139 -0.302 193 H GLY 26 H GLY 26 2.394 8.279 -0.516 194 1HA GLY 26 1HA GLY 26 3.001 8.729 2.130 195 2HA GLY 26 2HA GLY 26 3.593 9.702 0.775 196 H LYS 27 H LYS 27 0.770 10.733 0.136 197 HA LYS 27 HA LYS 27 0.875 12.939 2.083 198 1HB LYS 27 2HB LYS 27 0.964 13.579 -0.154 199 2HB LYS 27 3HB LYS 27 -0.356 12.520 -0.647 200 1HG LYS 27 2HG LYS 27 -2.002 13.814 0.318 201 2HG LYS 27 3HG LYS 27 -0.883 14.743 1.328 202 1HD LYS 27 2HD LYS 27 -0.671 14.879 -1.695 203 2HD LYS 27 3HD LYS 27 -1.904 15.829 -0.838 204 1HE LYS 27 2HE LYS 27 -0.191 16.890 0.579 205 2HE LYS 27 3HE LYS 27 1.088 15.943 -0.197 206 1HZ LYS 27 1HZ LYS 27 -0.626 17.923 -1.555 207 2HZ LYS 27 2HZ LYS 27 0.919 18.171 -1.059 208 3HZ LYS 27 3HZ LYS 27 0.612 17.078 -2.246 209 H LEU 28 H LEU 28 -0.957 9.946 1.883 210 HA LEU 28 HA LEU 28 -3.503 11.125 2.600 211 1HB LEU 28 2HB LEU 28 -2.543 8.335 2.872 212 2HB LEU 28 3HB LEU 28 -4.185 8.931 3.004 213 HG LEU 28 HG LEU 28 -2.555 8.720 0.481 214 1HD1 LEU 28 1HD1 LEU 28 -4.664 7.705 -0.317 215 2HD1 LEU 28 2HD1 LEU 28 -4.169 6.956 1.213 216 3HD1 LEU 28 3HD1 LEU 28 -5.452 8.190 1.211 217 1HD2 LEU 28 1HD2 LEU 28 -3.286 11.036 0.305 218 2HD2 LEU 28 2HD2 LEU 28 -4.276 10.027 -0.744 219 3HD2 LEU 28 3HD2 LEU 28 -4.938 10.585 0.805 220 H GLN 29 H GLN 29 -4.246 11.644 4.506 221 HA GLN 29 HA GLN 29 -2.504 11.734 6.668 222 1HB GLN 29 2HB GLN 29 -4.311 12.937 7.831 223 2HB GLN 29 3HB GLN 29 -4.181 13.446 6.144 224 1HG GLN 29 2HG GLN 29 -6.036 11.523 5.806 225 2HG GLN 29 3HG GLN 29 -6.337 11.855 7.508 226 1HE2 GLN 29 2HE2 GLN 29 -6.703 13.068 4.228 227 2HE2 GLN 29 1HE2 GLN 29 -7.566 14.525 4.682 228 H GLY 30 H GLY 30 -1.835 9.729 7.323 229 1HA GLY 30 1HA GLY 30 -2.958 8.261 9.365 230 2HA GLY 30 2HA GLY 30 -3.785 7.644 7.949 231 H VAL 31 H VAL 31 -1.306 8.150 6.229 232 HA VAL 31 HA VAL 31 -0.214 5.529 6.832 233 HB VAL 31 HB VAL 31 0.268 7.609 4.644 234 1HG1 VAL 31 1HG1 VAL 31 2.375 6.370 4.859 235 2HG1 VAL 31 2HG1 VAL 31 1.495 4.821 4.833 236 3HG1 VAL 31 3HG1 VAL 31 1.525 5.873 3.408 237 1HG2 VAL 31 1HG2 VAL 31 -0.995 6.125 3.247 238 2HG2 VAL 31 2HG2 VAL 31 -0.993 4.840 4.470 239 3HG2 VAL 31 3HG2 VAL 31 -1.940 6.321 4.714 240 H GLN 32 H GLN 32 1.908 5.006 7.286 241 HA GLN 32 HA GLN 32 3.588 7.192 8.480 242 1HB GLN 32 2HB GLN 32 2.765 4.494 9.550 243 2HB GLN 32 3HB GLN 32 4.183 5.343 10.166 244 1HG GLN 32 2HG GLN 32 1.628 6.854 10.031 245 2HG GLN 32 3HG GLN 32 1.840 5.681 11.318 246 1HE2 GLN 32 2HE2 GLN 32 1.810 7.281 12.945 247 2HE2 GLN 32 1HE2 GLN 32 3.158 8.384 13.165 248 H ARG 33 H ARG 33 3.540 4.085 6.626 249 HA ARG 33 HA ARG 33 6.134 4.788 5.559 250 1HB ARG 33 2HB ARG 33 6.243 3.273 7.861 251 2HB ARG 33 3HB ARG 33 6.056 2.005 6.665 252 1HG ARG 33 2HG ARG 33 8.184 2.015 6.244 253 2HG ARG 33 3HG ARG 33 8.091 3.650 5.578 254 1HD ARG 33 2HD ARG 33 8.617 4.644 7.701 255 2HD ARG 33 3HD ARG 33 8.295 3.119 8.564 256 HE ARG 33 HE ARG 33 10.412 2.782 6.654 257 1HH1 ARG 33 1HH2 ARG 33 9.751 4.204 9.797 258 2HH1 ARG 33 2HH2 ARG 33 11.233 3.697 10.548 259 1HH2 ARG 33 1HH1 ARG 33 12.405 2.036 7.612 260 2HH2 ARG 33 2HH1 ARG 33 12.797 2.463 9.245 261 H ILE 34 H ILE 34 6.659 3.238 3.749 262 HA ILE 34 HA ILE 34 4.557 1.589 2.752 263 HB ILE 34 HB ILE 34 3.620 3.694 2.188 264 1HG1 ILE 34 2HG1 ILE 34 5.186 2.823 -0.238 265 2HG1 ILE 34 3HG1 ILE 34 3.914 1.845 0.429 266 1HG2 ILE 34 1HG2 ILE 34 4.764 5.520 0.995 267 2HG2 ILE 34 2HG2 ILE 34 5.526 5.220 2.540 268 3HG2 ILE 34 3HG2 ILE 34 6.293 4.616 1.058 269 1HD1 ILE 34 1HD1 ILE 34 3.431 4.706 -0.474 270 2HD1 ILE 34 2HD1 ILE 34 3.096 3.271 -1.467 271 3HD1 ILE 34 3HD1 ILE 34 2.242 3.529 0.061 272 H LYS 35 H LYS 35 5.503 0.208 1.286 273 HA LYS 35 HA LYS 35 8.038 0.819 0.163 274 1HB LYS 35 2HB LYS 35 7.830 -1.283 2.299 275 2HB LYS 35 3HB LYS 35 8.760 -1.649 0.853 276 1HG LYS 35 2HG LYS 35 9.266 0.716 2.678 277 2HG LYS 35 3HG LYS 35 10.096 -0.842 2.732 278 1HD LYS 35 2HD LYS 35 10.765 -0.453 0.267 279 2HD LYS 35 3HD LYS 35 10.090 1.161 0.434 280 1HE LYS 35 2HE LYS 35 12.396 1.455 0.774 281 2HE LYS 35 3HE LYS 35 11.661 1.580 2.377 282 1HZ LYS 35 1HZ LYS 35 13.007 -0.797 1.249 283 2HZ LYS 35 2HZ LYS 35 13.629 0.207 2.390 284 3HZ LYS 35 3HZ LYS 35 12.326 -0.732 2.745 285 H VAL 36 H VAL 36 6.934 0.908 -1.782 286 HA VAL 36 HA VAL 36 5.459 -1.475 -2.655 287 HB VAL 36 HB VAL 36 5.984 1.136 -4.069 288 1HG1 VAL 36 1HG1 VAL 36 3.979 -1.086 -4.680 289 2HG1 VAL 36 2HG1 VAL 36 4.188 0.418 -5.577 290 3HG1 VAL 36 3HG1 VAL 36 5.458 -0.824 -5.609 291 1HG2 VAL 36 1HG2 VAL 36 4.610 1.419 -2.042 292 2HG2 VAL 36 2HG2 VAL 36 3.598 1.558 -3.480 293 3HG2 VAL 36 3HG2 VAL 36 3.572 0.070 -2.520 294 H SER 37 H SER 37 6.569 -3.259 -3.594 295 HA SER 37 HA SER 37 9.305 -2.744 -4.633 296 1HB SER 37 2HB SER 37 8.090 -5.424 -4.292 297 2HB SER 37 3HB SER 37 9.785 -4.963 -4.352 298 HG SER 37 HG SER 37 7.970 -4.868 -2.232 299 H LEU 38 H LEU 38 9.787 -3.922 -6.660 300 HA LEU 38 HA LEU 38 7.426 -4.189 -8.488 301 1HB LEU 38 2HB LEU 38 9.205 -3.741 -10.255 302 2HB LEU 38 3HB LEU 38 8.422 -2.387 -9.442 303 HG LEU 38 HG LEU 38 11.052 -3.367 -8.348 304 1HD1 LEU 38 1HD1 LEU 38 10.734 -1.680 -10.858 305 2HD1 LEU 38 2HD1 LEU 38 12.251 -1.925 -9.959 306 3HD1 LEU 38 3HD1 LEU 38 11.461 -3.299 -10.750 307 1HD2 LEU 38 1HD2 LEU 38 9.692 -1.483 -7.281 308 2HD2 LEU 38 2HD2 LEU 38 11.323 -1.015 -7.791 309 3HD2 LEU 38 3HD2 LEU 38 9.919 -0.569 -8.779 310 H ASP 39 H ASP 39 10.780 -5.337 -7.775 311 HA ASP 39 HA ASP 39 11.029 -7.253 -9.648 312 1HB ASP 39 2HB ASP 39 11.886 -7.758 -6.755 313 2HB ASP 39 3HB ASP 39 12.705 -8.232 -8.232 314 H ASN 40 H ASN 40 9.780 -7.759 -6.382 315 HA ASN 40 HA ASN 40 8.986 -10.469 -7.041 316 1HB ASN 40 2HB ASN 40 10.089 -9.532 -4.891 317 2HB ASN 40 3HB ASN 40 8.399 -9.383 -4.379 318 1HD2 ASN 40 2HD2 ASN 40 11.109 -11.471 -4.731 319 2HD2 ASN 40 1HD2 ASN 40 10.274 -12.985 -4.431 320 H GLN 41 H GLN 41 7.586 -7.812 -7.997 321 HA GLN 41 HA GLN 41 5.693 -6.682 -7.932 322 1HB GLN 41 2HB GLN 41 5.472 -9.316 -9.163 323 2HB GLN 41 3HB GLN 41 3.875 -8.707 -8.772 324 1HG GLN 41 2HG GLN 41 4.392 -6.608 -9.971 325 2HG GLN 41 3HG GLN 41 6.052 -7.157 -10.246 326 1HE2 GLN 41 2HE2 GLN 41 5.689 -6.781 -12.527 327 2HE2 GLN 41 1HE2 GLN 41 4.854 -8.023 -13.460 328 H GLU 42 H GLU 42 5.947 -6.398 -5.538 329 HA GLU 42 HA GLU 42 3.453 -7.113 -4.209 330 1HB GLU 42 2HB GLU 42 4.974 -9.035 -3.712 331 2HB GLU 42 3HB GLU 42 6.140 -7.908 -2.991 332 1HG GLU 42 2HG GLU 42 4.584 -7.297 -1.246 333 2HG GLU 42 3HG GLU 42 3.239 -8.108 -2.069 334 H ALA 43 H ALA 43 2.883 -5.684 -2.654 335 HA ALA 43 HA ALA 43 4.571 -3.276 -2.441 336 1HB ALA 43 1HB ALA 43 2.390 -2.002 -2.741 337 2HB ALA 43 2HB ALA 43 2.950 -2.914 -4.168 338 3HB ALA 43 3HB ALA 43 1.649 -3.551 -3.198 339 H THR 44 H THR 44 4.952 -2.622 -0.461 340 HA THR 44 HA THR 44 3.403 -3.662 1.833 341 HB THR 44 HB THR 44 5.886 -1.894 1.770 342 HG1 THR 44 1HG THR 44 6.493 -3.614 0.656 343 1HG2 THR 44 1HG2 THR 44 4.742 -3.827 3.838 344 2HG2 THR 44 2HG2 THR 44 6.290 -2.965 3.987 345 3HG2 THR 44 3HG2 THR 44 4.770 -2.055 3.941 346 H ILE 45 H ILE 45 1.848 -2.292 2.728 347 HA ILE 45 HA ILE 45 2.287 0.671 2.485 348 HB ILE 45 HB ILE 45 -0.366 -0.813 2.477 349 1HG1 ILE 45 2HG1 ILE 45 0.878 -1.033 0.278 350 2HG1 ILE 45 3HG1 ILE 45 -0.704 -0.239 0.211 351 1HG2 ILE 45 1HG2 ILE 45 -0.612 1.319 3.561 352 2HG2 ILE 45 2HG2 ILE 45 0.351 2.144 2.321 353 3HG2 ILE 45 3HG2 ILE 45 -1.238 1.470 1.906 354 1HD1 ILE 45 1HD1 ILE 45 1.878 1.282 0.294 355 2HD1 ILE 45 2HD1 ILE 45 1.062 0.816 -1.205 356 3HD1 ILE 45 3HD1 ILE 45 0.261 1.917 -0.073 357 H VAL 46 H VAL 46 2.577 1.544 4.511 358 HA VAL 46 HA VAL 46 1.635 -0.108 6.821 359 HB VAL 46 HB VAL 46 4.003 1.696 6.983 360 1HG1 VAL 46 1HG1 VAL 46 4.576 0.193 8.851 361 2HG1 VAL 46 2HG1 VAL 46 2.993 0.953 9.061 362 3HG1 VAL 46 3HG1 VAL 46 3.096 -0.742 8.552 363 1HG2 VAL 46 1HG2 VAL 46 3.876 -1.172 6.025 364 2HG2 VAL 46 2HG2 VAL 46 4.668 0.191 5.209 365 3HG2 VAL 46 3HG2 VAL 46 5.365 -0.469 6.700 366 H TYR 47 H TYR 47 -0.014 0.833 7.860 367 HA TYR 47 HA TYR 47 0.008 3.807 8.097 368 1HB TYR 47 2HB TYR 47 -2.236 3.994 7.360 369 2HB TYR 47 3HB TYR 47 -1.358 3.126 6.115 370 HD1 TYR 47 1HD TYR 47 -1.978 0.863 5.486 371 HD2 TYR 47 2HD TYR 47 -3.853 2.782 8.860 372 HE1 TYR 47 1HE TYR 47 -3.751 -0.859 5.495 373 HE2 TYR 47 2HE TYR 47 -5.539 0.981 8.948 374 HH TYR 47 HH TYR 47 -5.367 -1.853 6.840 375 H GLN 48 H GLN 48 -1.673 4.631 9.500 376 HA GLN 48 HA GLN 48 -1.334 3.295 12.048 377 1HB GLN 48 2HB GLN 48 -0.882 5.717 11.430 378 2HB GLN 48 3HB GLN 48 -2.608 5.987 11.436 379 1HG GLN 48 2HG GLN 48 -2.801 5.301 13.782 380 2HG GLN 48 3HG GLN 48 -1.137 4.689 13.795 381 1HE2 GLN 48 2HE2 GLN 48 -1.388 6.145 15.846 382 2HE2 GLN 48 1HE2 GLN 48 -0.800 7.781 15.614 383 HA PRO 49 HA PRO 49 -5.446 1.658 11.231 384 1HB PRO 49 2HB PRO 49 -5.703 -0.155 13.264 385 2HB PRO 49 3HB PRO 49 -4.551 -0.377 11.927 386 1HG PRO 49 2HG PRO 49 -3.981 0.768 14.671 387 2HG PRO 49 3HG PRO 49 -3.076 -0.514 13.815 388 1HD PRO 49 2HD PRO 49 -2.292 2.093 13.795 389 2HD PRO 49 3HD PRO 49 -2.053 1.059 12.381 390 H HIS 50 H HIS 50 -6.120 3.834 11.644 391 HA HIS 50 HA HIS 50 -8.456 3.910 13.215 392 1HB HIS 50 2HB HIS 50 -6.032 5.178 14.491 393 2HB HIS 50 3HB HIS 50 -7.520 6.121 14.486 394 HD1 HIS 50 1HD HIS 50 -5.908 3.656 16.624 395 HD2 HIS 50 2HD HIS 50 -9.820 4.619 15.420 396 HE1 HIS 50 1HE HIS 50 -7.479 2.701 18.401 397 H LEU 51 H LEU 51 -5.812 5.877 11.743 398 HA LEU 51 HA LEU 51 -7.667 7.993 11.027 399 1HB LEU 51 2HB LEU 51 -4.862 7.409 10.254 400 2HB LEU 51 3HB LEU 51 -5.700 8.894 9.793 401 HG LEU 51 HG LEU 51 -5.360 8.058 12.712 402 1HD1 LEU 51 1HD1 LEU 51 -3.587 9.918 11.076 403 2HD1 LEU 51 2HD1 LEU 51 -3.493 9.661 12.831 404 3HD1 LEU 51 3HD1 LEU 51 -3.127 8.330 11.727 405 1HD2 LEU 51 1HD2 LEU 51 -5.871 10.801 11.472 406 2HD2 LEU 51 2HD2 LEU 51 -7.147 9.786 12.169 407 3HD2 LEU 51 3HD2 LEU 51 -5.845 10.390 13.197 408 H ILE 52 H ILE 52 -6.085 5.322 9.230 409 HA ILE 52 HA ILE 52 -7.966 5.709 7.014 410 HB ILE 52 HB ILE 52 -5.320 6.559 7.017 411 1HG1 ILE 52 2HG1 ILE 52 -5.633 6.239 4.402 412 2HG1 ILE 52 3HG1 ILE 52 -7.303 5.969 4.962 413 1HG2 ILE 52 1HG2 ILE 52 -3.933 5.165 5.726 414 2HG2 ILE 52 2HG2 ILE 52 -4.462 4.334 7.184 415 3HG2 ILE 52 3HG2 ILE 52 -5.175 3.894 5.592 416 1HD1 ILE 52 1HD1 ILE 52 -5.483 8.367 5.490 417 2HD1 ILE 52 2HD1 ILE 52 -6.909 8.356 4.439 418 3HD1 ILE 52 3HD1 ILE 52 -7.105 8.186 6.201 419 H SER 53 H SER 53 -7.801 3.607 5.551 420 HA SER 53 HA SER 53 -7.555 1.203 7.296 421 1HB SER 53 2HB SER 53 -9.808 0.547 6.599 422 2HB SER 53 3HB SER 53 -9.869 2.135 7.382 423 HG SER 53 HG SER 53 -11.035 2.237 5.451 424 H VAL 54 H VAL 54 -7.643 -0.799 6.087 425 HA VAL 54 HA VAL 54 -6.141 -1.179 3.832 426 HB VAL 54 HB VAL 54 -8.669 -2.683 4.586 427 1HG1 VAL 54 1HG1 VAL 54 -7.514 -4.558 3.255 428 2HG1 VAL 54 2HG1 VAL 54 -8.189 -3.242 2.294 429 3HG1 VAL 54 3HG1 VAL 54 -6.449 -3.280 2.624 430 1HG2 VAL 54 1HG2 VAL 54 -7.099 -2.899 6.394 431 2HG2 VAL 54 2HG2 VAL 54 -7.005 -4.388 5.457 432 3HG2 VAL 54 3HG2 VAL 54 -5.747 -3.165 5.251 433 H GLU 55 H GLU 55 -9.644 -0.419 3.912 434 HA GLU 55 HA GLU 55 -10.035 -0.775 1.130 435 1HB GLU 55 2HB GLU 55 -11.799 -0.829 2.849 436 2HB GLU 55 3HB GLU 55 -11.636 0.926 2.999 437 1HG GLU 55 2HG GLU 55 -12.174 -0.207 0.263 438 2HG GLU 55 3HG GLU 55 -13.487 -0.258 1.444 439 H GLU 56 H GLU 56 -9.312 2.287 2.988 440 HA GLU 56 HA GLU 56 -9.375 3.930 0.716 441 1HB GLU 56 2HB GLU 56 -8.358 4.118 3.515 442 2HB GLU 56 3HB GLU 56 -7.450 5.083 2.350 443 1HG GLU 56 2HG GLU 56 -10.470 5.208 2.630 444 2HG GLU 56 3HG GLU 56 -9.334 6.349 3.367 445 H MET 57 H MET 57 -6.563 2.132 2.229 446 HA MET 57 HA MET 57 -4.648 2.801 0.375 447 1HB MET 57 2HB MET 57 -5.020 0.149 1.621 448 2HB MET 57 3HB MET 57 -3.584 0.835 0.887 449 1HG MET 57 2HG MET 57 -4.940 1.862 3.364 450 2HG MET 57 3HG MET 57 -3.455 0.939 3.268 451 1HE MET 57 1HE MET 57 -3.936 5.454 2.916 452 2HE MET 57 2HE MET 57 -4.707 4.575 1.588 453 3HE MET 57 3HE MET 57 -5.215 4.269 3.264 454 H LYS 58 H LYS 58 -6.852 -0.097 0.086 455 HA LYS 58 HA LYS 58 -6.055 -0.629 -2.600 456 1HB LYS 58 2HB LYS 58 -6.866 -2.379 -1.892 457 2HB LYS 58 3HB LYS 58 -8.195 -1.694 -0.854 458 1HG LYS 58 2HG LYS 58 -9.528 -1.368 -2.846 459 2HG LYS 58 3HG LYS 58 -8.202 -1.775 -3.926 460 1HD LYS 58 2HD LYS 58 -9.530 -3.764 -2.051 461 2HD LYS 58 3HD LYS 58 -9.864 -3.541 -3.781 462 1HE LYS 58 2HE LYS 58 -7.128 -3.789 -3.868 463 2HE LYS 58 3HE LYS 58 -7.473 -4.803 -2.459 464 1HZ LYS 58 1HZ LYS 58 -8.603 -5.031 -5.169 465 2HZ LYS 58 2HZ LYS 58 -7.414 -5.972 -4.546 466 3HZ LYS 58 3HZ LYS 58 -8.964 -6.071 -3.941 467 H LYS 59 H LYS 59 -9.160 0.907 -1.642 468 HA LYS 59 HA LYS 59 -10.140 1.508 -4.088 469 1HB LYS 59 2HB LYS 59 -11.030 2.111 -1.727 470 2HB LYS 59 3HB LYS 59 -10.112 3.603 -1.909 471 1HG LYS 59 2HG LYS 59 -11.482 3.406 -4.337 472 2HG LYS 59 3HG LYS 59 -12.639 2.701 -3.214 473 1HD LYS 59 2HD LYS 59 -11.317 5.454 -2.857 474 2HD LYS 59 3HD LYS 59 -12.826 5.176 -3.721 475 1HE LYS 59 2HE LYS 59 -13.475 5.910 -1.583 476 2HE LYS 59 3HE LYS 59 -13.831 4.175 -1.628 477 1HZ LYS 59 1HZ LYS 59 -11.473 5.413 -0.293 478 2HZ LYS 59 2HZ LYS 59 -12.813 4.821 0.429 479 3HZ LYS 59 3HZ LYS 59 -11.852 3.797 -0.303 480 H GLN 60 H GLN 60 -7.730 3.507 -2.272 481 HA GLN 60 HA GLN 60 -7.477 5.439 -4.416 482 1HB GLN 60 2HB GLN 60 -5.671 4.718 -2.137 483 2HB GLN 60 3HB GLN 60 -5.439 6.147 -3.151 484 1HG GLN 60 2HG GLN 60 -8.075 5.690 -1.653 485 2HG GLN 60 3HG GLN 60 -6.703 6.503 -0.929 486 1HE2 GLN 60 2HE2 GLN 60 -6.319 8.660 -1.447 487 2HE2 GLN 60 1HE2 GLN 60 -7.300 9.549 -2.607 488 H ILE 61 H ILE 61 -5.674 2.434 -3.634 489 HA ILE 61 HA ILE 61 -3.669 2.859 -5.691 490 HB ILE 61 HB ILE 61 -4.390 0.489 -3.964 491 1HG1 ILE 61 2HG1 ILE 61 -2.062 2.468 -4.140 492 2HG1 ILE 61 3HG1 ILE 61 -3.344 2.564 -2.979 493 1HG2 ILE 61 1HG2 ILE 61 -3.599 -0.490 -6.011 494 2HG2 ILE 61 2HG2 ILE 61 -2.377 0.764 -6.223 495 3HG2 ILE 61 3HG2 ILE 61 -2.205 -0.459 -4.941 496 1HD1 ILE 61 1HD1 ILE 61 -1.268 0.379 -3.130 497 2HD1 ILE 61 2HD1 ILE 61 -1.511 1.596 -1.865 498 3HD1 ILE 61 3HD1 ILE 61 -2.727 0.319 -2.097 499 H GLU 62 H GLU 62 -6.341 0.345 -5.504 500 HA GLU 62 HA GLU 62 -6.304 -0.428 -8.127 501 1HB GLU 62 2HB GLU 62 -8.038 -0.635 -5.827 502 2HB GLU 62 3HB GLU 62 -9.018 -0.106 -7.150 503 1HG GLU 62 2HG GLU 62 -8.181 -2.021 -8.496 504 2HG GLU 62 3HG GLU 62 -7.093 -2.483 -7.179 505 H ALA 63 H ALA 63 -7.777 2.640 -6.836 506 HA ALA 63 HA ALA 63 -9.142 3.405 -9.148 507 1HB ALA 63 1HB ALA 63 -9.284 4.715 -7.114 508 2HB ALA 63 2HB ALA 63 -7.559 5.147 -7.231 509 3HB ALA 63 3HB ALA 63 -8.716 5.746 -8.431 510 H MET 64 H MET 64 -5.582 3.442 -8.654 511 HA MET 64 HA MET 64 -4.960 5.111 -10.899 512 1HB MET 64 2HB MET 64 -3.389 2.858 -9.598 513 2HB MET 64 3HB MET 64 -2.794 4.067 -10.747 514 1HG MET 64 2HG MET 64 -3.710 4.559 -7.901 515 2HG MET 64 3HG MET 64 -2.087 4.646 -8.580 516 1HE MET 64 1HE MET 64 -2.533 8.377 -7.723 517 2HE MET 64 2HE MET 64 -3.039 6.955 -6.775 518 3HE MET 64 3HE MET 64 -1.462 6.966 -7.609 519 H GLY 65 H GLY 65 -5.717 1.653 -10.510 520 1HA GLY 65 1HA GLY 65 -6.818 0.688 -12.530 521 2HA GLY 65 2HA GLY 65 -5.391 1.178 -13.458 522 H PHE 66 H PHE 66 -4.014 0.475 -10.633 523 HA PHE 66 HA PHE 66 -2.966 -2.017 -11.640 524 1HB PHE 66 2HB PHE 66 -2.446 -0.483 -9.104 525 2HB PHE 66 3HB PHE 66 -1.353 -1.690 -9.818 526 HD1 PHE 66 1HD PHE 66 -1.375 1.529 -9.111 527 HD2 PHE 66 2HD PHE 66 -1.255 -0.845 -12.697 528 HE1 PHE 66 1HE PHE 66 -0.435 3.464 -10.361 529 HE2 PHE 66 2HE PHE 66 -0.471 1.135 -13.968 530 HZ PHE 66 HZ PHE 66 -0.140 3.305 -12.822 531 HA PRO 67 HA PRO 67 -5.932 -4.181 -8.902 532 1HB PRO 67 2HB PRO 67 -5.378 -6.767 -9.580 533 2HB PRO 67 3HB PRO 67 -6.303 -5.672 -10.654 534 1HG PRO 67 2HG PRO 67 -3.351 -6.324 -10.772 535 2HG PRO 67 3HG PRO 67 -4.523 -6.345 -12.121 536 1HD PRO 67 2HD PRO 67 -2.878 -4.228 -11.626 537 2HD PRO 67 3HD PRO 67 -4.541 -3.973 -12.242 538 H ALA 68 H ALA 68 -5.591 -4.925 -6.794 539 HA ALA 68 HA ALA 68 -2.852 -5.762 -6.059 540 1HB ALA 68 1HB ALA 68 -3.066 -3.324 -5.648 541 2HB ALA 68 2HB ALA 68 -4.419 -3.651 -4.542 542 3HB ALA 68 3HB ALA 68 -2.798 -4.295 -4.183 543 H PHE 69 H PHE 69 -2.727 -7.282 -4.437 544 HA PHE 69 HA PHE 69 -5.313 -8.385 -3.367 545 1HB PHE 69 2HB PHE 69 -2.837 -9.570 -4.440 546 2HB PHE 69 3HB PHE 69 -3.663 -10.452 -3.165 547 HD1 PHE 69 1HD PHE 69 -6.089 -11.076 -3.415 548 HD2 PHE 69 2HD PHE 69 -3.678 -9.683 -6.719 549 HE1 PHE 69 1HE PHE 69 -7.635 -12.172 -5.011 550 HE2 PHE 69 2HE PHE 69 -5.233 -10.776 -8.304 551 HZ PHE 69 HZ PHE 69 -7.207 -12.032 -7.456 552 H VAL 70 H VAL 70 -5.048 -6.667 -1.789 553 HA VAL 70 HA VAL 70 -3.110 -6.713 0.324 554 HB VAL 70 HB VAL 70 -4.404 -4.814 -0.386 555 1HG1 VAL 70 1HG1 VAL 70 -6.578 -6.030 -0.557 556 2HG1 VAL 70 2HG1 VAL 70 -6.695 -5.904 1.210 557 3HG1 VAL 70 3HG1 VAL 70 -6.614 -4.428 0.226 558 1HG2 VAL 70 1HG2 VAL 70 -4.516 -3.879 1.827 559 2HG2 VAL 70 2HG2 VAL 70 -4.786 -5.479 2.551 560 3HG2 VAL 70 3HG2 VAL 70 -3.207 -5.060 1.833 561 H LYS 71 H LYS 71 -2.721 -8.670 1.375 562 HA LYS 71 HA LYS 71 -4.880 -9.506 3.154 563 1HB LYS 71 2HB LYS 71 -4.894 -11.789 2.452 564 2HB LYS 71 3HB LYS 71 -5.550 -10.694 1.228 565 1HG LYS 71 2HG LYS 71 -3.388 -10.700 0.066 566 2HG LYS 71 3HG LYS 71 -2.750 -11.800 1.276 567 1HD LYS 71 2HD LYS 71 -4.843 -13.287 0.671 568 2HD LYS 71 3HD LYS 71 -4.922 -12.327 -0.808 569 1HE LYS 71 2HE LYS 71 -3.064 -13.351 -1.732 570 2HE LYS 71 3HE LYS 71 -2.221 -13.466 -0.180 571 1HZ LYS 71 1HZ LYS 71 -4.415 -15.235 -1.009 572 2HZ LYS 71 2HZ LYS 71 -2.818 -15.622 -0.984 573 3HZ LYS 71 3HZ LYS 71 -3.604 -15.300 0.421 574 H LYS 72 H LYS 72 -2.622 -8.357 4.166 575 HA LYS 72 HA LYS 72 -1.514 -10.616 5.646 576 1HB LYS 72 2HB LYS 72 -0.243 -10.480 3.422 577 2HB LYS 72 3HB LYS 72 0.413 -8.962 4.007 578 1HG LYS 72 2HG LYS 72 1.748 -10.023 5.614 579 2HG LYS 72 3HG LYS 72 0.635 -11.388 5.790 580 1HD LYS 72 2HD LYS 72 1.229 -12.263 3.598 581 2HD LYS 72 3HD LYS 72 2.344 -10.903 3.314 582 1HE LYS 72 2HE LYS 72 3.895 -11.643 4.905 583 2HE LYS 72 3HE LYS 72 2.701 -12.611 5.794 584 1HZ LYS 72 1HZ LYS 72 3.877 -13.277 3.186 585 2HZ LYS 72 2HZ LYS 72 4.222 -13.960 4.640 586 3HZ LYS 72 3HZ LYS 72 2.732 -14.172 3.981 587 H ILE 73 H ILE 73 -2.584 -9.443 7.306 588 HA ILE 73 HA ILE 73 -1.842 -6.699 7.925 589 HB ILE 73 HB ILE 73 -3.634 -8.717 9.300 590 1HG1 ILE 73 2HG1 ILE 73 -4.789 -6.373 7.848 591 2HG1 ILE 73 3HG1 ILE 73 -4.028 -7.551 6.795 592 1HG2 ILE 73 1HG2 ILE 73 -3.166 -6.950 10.942 593 2HG2 ILE 73 2HG2 ILE 73 -3.408 -5.708 9.700 594 3HG2 ILE 73 3HG2 ILE 73 -4.768 -6.690 10.273 595 1HD1 ILE 73 1HD1 ILE 73 -6.160 -8.251 8.822 596 2HD1 ILE 73 2HD1 ILE 73 -6.375 -8.054 7.066 597 3HD1 ILE 73 3HD1 ILE 73 -5.352 -9.364 7.688 598 H GLU 74 H GLU 74 0.518 -7.674 7.974 599 HA GLU 74 HA GLU 74 1.259 -8.911 10.565 600 1HB GLU 74 2HB GLU 74 2.578 -8.460 7.942 601 2HB GLU 74 3HB GLU 74 3.647 -8.285 9.333 602 1HG GLU 74 2HG GLU 74 3.055 -10.482 10.165 603 2HG GLU 74 3HG GLU 74 1.889 -10.705 8.841 604 H GLY 75 H GLY 75 0.091 -6.963 11.576 605 1HA GLY 75 1HA GLY 75 1.315 -4.403 11.598 606 2HA GLY 75 2HA GLY 75 0.275 -5.038 12.890 607 H ARG 76 H ARG 76 3.005 -3.404 12.746 608 HA ARG 76 HA ARG 76 4.186 -4.618 15.042 609 1HB ARG 76 2HB ARG 76 4.998 -6.087 13.069 610 2HB ARG 76 3HB ARG 76 5.906 -4.675 12.520 611 1HG ARG 76 2HG ARG 76 7.187 -4.666 14.623 612 2HG ARG 76 3HG ARG 76 6.122 -5.898 15.302 613 1HD ARG 76 2HD ARG 76 6.903 -7.337 13.174 614 2HD ARG 76 3HD ARG 76 8.208 -6.166 13.115 615 HE ARG 76 HE ARG 76 9.197 -7.190 14.912 616 1HH1 ARG 76 1HH2 ARG 76 5.788 -8.051 14.876 617 2HH1 ARG 76 2HH2 ARG 76 5.900 -9.313 16.064 618 1HH2 ARG 76 1HH1 ARG 76 9.414 -8.853 16.528 619 2HH2 ARG 76 2HH1 ARG 76 8.027 -9.752 17.047 Start of MODEL 14 1 1H GLY 1 1H GLY 1 2.892 -0.031 15.825 2 2H GLY 1 2H GLY 1 2.343 -0.289 17.366 3 3H GLY 1 3H GLY 1 1.440 -0.727 16.037 4 1HA GLY 1 1HA GLY 1 0.568 1.314 17.067 5 2HA GLY 1 2HA GLY 1 2.146 2.048 16.711 6 H GLU 2 H GLU 2 2.897 1.356 14.471 7 HA GLU 2 HA GLU 2 1.110 1.882 12.242 8 1HB GLU 2 2HB GLU 2 3.117 1.399 10.973 9 2HB GLU 2 3HB GLU 2 3.529 2.534 12.254 10 1HG GLU 2 2HG GLU 2 4.168 -0.450 12.296 11 2HG GLU 2 3HG GLU 2 5.273 0.847 11.852 12 H VAL 3 H VAL 3 0.530 0.150 10.741 13 HA VAL 3 HA VAL 3 1.351 -2.617 11.402 14 HB VAL 3 HB VAL 3 -1.421 -1.609 10.693 15 1HG1 VAL 3 1HG1 VAL 3 -2.208 -3.908 10.610 16 2HG1 VAL 3 2HG1 VAL 3 -1.118 -3.527 9.286 17 3HG1 VAL 3 3HG1 VAL 3 -0.532 -4.502 10.657 18 1HG2 VAL 3 1HG2 VAL 3 -2.042 -3.014 12.750 19 2HG2 VAL 3 2HG2 VAL 3 -0.311 -3.222 13.041 20 3HG2 VAL 3 3HG2 VAL 3 -1.037 -1.600 13.104 21 H VAL 4 H VAL 4 1.751 -3.844 9.519 22 HA VAL 4 HA VAL 4 2.094 -2.291 7.020 23 HB VAL 4 HB VAL 4 3.772 -4.153 8.381 24 1HG1 VAL 4 1HG1 VAL 4 4.209 -5.846 6.718 25 2HG1 VAL 4 2HG1 VAL 4 2.487 -5.940 7.134 26 3HG1 VAL 4 3HG1 VAL 4 2.987 -5.177 5.615 27 1HG2 VAL 4 1HG2 VAL 4 5.301 -3.733 6.522 28 2HG2 VAL 4 2HG2 VAL 4 3.981 -2.942 5.632 29 3HG2 VAL 4 3HG2 VAL 4 4.586 -2.260 7.174 30 H LEU 5 H LEU 5 1.058 -2.880 5.186 31 HA LEU 5 HA LEU 5 -0.724 -5.239 5.208 32 1HB LEU 5 2HB LEU 5 -1.450 -2.459 5.154 33 2HB LEU 5 3HB LEU 5 -1.592 -2.992 3.487 34 HG LEU 5 HG LEU 5 -3.689 -3.177 4.682 35 1HD1 LEU 5 1HD1 LEU 5 -4.148 -5.613 4.248 36 2HD1 LEU 5 2HD1 LEU 5 -3.417 -4.693 2.905 37 3HD1 LEU 5 3HD1 LEU 5 -2.434 -5.813 3.842 38 1HD2 LEU 5 1HD2 LEU 5 -2.763 -3.558 6.983 39 2HD2 LEU 5 2HD2 LEU 5 -4.075 -4.671 6.544 40 3HD2 LEU 5 3HD2 LEU 5 -2.396 -5.211 6.549 41 H LYS 6 H LYS 6 -0.083 -6.651 3.616 42 HA LYS 6 HA LYS 6 1.853 -5.633 1.622 43 1HB LYS 6 2HB LYS 6 2.138 -7.721 3.356 44 2HB LYS 6 3HB LYS 6 1.428 -8.537 1.950 45 1HG LYS 6 2HG LYS 6 3.514 -8.793 1.367 46 2HG LYS 6 3HG LYS 6 3.286 -7.209 0.619 47 1HD LYS 6 2HD LYS 6 4.429 -6.122 2.478 48 2HD LYS 6 3HD LYS 6 4.399 -7.624 3.436 49 1HE LYS 6 2HE LYS 6 5.822 -8.765 1.737 50 2HE LYS 6 3HE LYS 6 5.891 -7.273 0.787 51 1HZ LYS 6 1HZ LYS 6 6.921 -7.581 3.534 52 2HZ LYS 6 2HZ LYS 6 7.828 -7.607 2.166 53 3HZ LYS 6 3HZ LYS 6 7.036 -6.227 2.589 54 H MET 7 H MET 7 1.082 -5.447 -0.466 55 HA MET 7 HA MET 7 -1.361 -6.942 -1.227 56 1HB MET 7 2HB MET 7 -0.695 -4.436 -2.677 57 2HB MET 7 3HB MET 7 -2.219 -5.172 -2.217 58 1HG MET 7 2HG MET 7 -1.917 -4.361 0.094 59 2HG MET 7 3HG MET 7 -0.396 -3.593 -0.354 60 1HE MET 7 1HE MET 7 -3.048 -0.681 0.256 61 2HE MET 7 2HE MET 7 -3.588 -2.291 0.752 62 3HE MET 7 3HE MET 7 -1.922 -1.794 1.071 63 H LYS 8 H LYS 8 -0.921 -8.415 -2.861 64 HA LYS 8 HA LYS 8 1.607 -8.173 -4.446 65 1HB LYS 8 2HB LYS 8 -0.715 -10.128 -4.517 66 2HB LYS 8 3HB LYS 8 0.429 -9.972 -5.840 67 1HG LYS 8 2HG LYS 8 1.191 -11.699 -4.629 68 2HG LYS 8 3HG LYS 8 2.297 -10.356 -4.270 69 1HD LYS 8 2HD LYS 8 1.374 -10.116 -2.021 70 2HD LYS 8 3HD LYS 8 -0.007 -11.126 -2.438 71 1HE LYS 8 2HE LYS 8 1.343 -12.554 -1.131 72 2HE LYS 8 3HE LYS 8 1.618 -13.081 -2.796 73 1HZ LYS 8 1HZ LYS 8 3.397 -11.371 -1.159 74 2HZ LYS 8 2HZ LYS 8 3.719 -12.915 -1.664 75 3HZ LYS 8 3HZ LYS 8 3.681 -11.610 -2.682 76 H VAL 9 H VAL 9 1.733 -6.908 -6.282 77 HA VAL 9 HA VAL 9 -0.833 -5.917 -7.466 78 HB VAL 9 HB VAL 9 0.506 -3.974 -8.210 79 1HG1 VAL 9 1HG1 VAL 9 0.199 -4.313 -5.197 80 2HG1 VAL 9 2HG1 VAL 9 0.390 -2.764 -6.048 81 3HG1 VAL 9 3HG1 VAL 9 -1.035 -3.767 -6.355 82 1HG2 VAL 9 1HG2 VAL 9 2.567 -3.351 -7.081 83 2HG2 VAL 9 2HG2 VAL 9 2.550 -4.843 -6.130 84 3HG2 VAL 9 3HG2 VAL 9 2.783 -4.905 -7.897 85 H GLU 10 H GLU 10 -0.877 -5.814 -9.734 86 HA GLU 10 HA GLU 10 1.216 -7.492 -11.092 87 1HB GLU 10 2HB GLU 10 -1.688 -7.171 -11.830 88 2HB GLU 10 3HB GLU 10 -0.506 -8.189 -12.647 89 1HG GLU 10 2HG GLU 10 -1.308 -8.611 -9.719 90 2HG GLU 10 3HG GLU 10 -2.076 -9.410 -11.087 91 H GLY 11 H GLY 11 2.043 -6.728 -12.966 92 1HA GLY 11 1HA GLY 11 2.124 -5.506 -14.973 93 2HA GLY 11 2HA GLY 11 0.799 -4.472 -14.432 94 H MET 12 H MET 12 2.075 -3.868 -11.833 95 HA MET 12 HA MET 12 3.361 -1.465 -12.619 96 1HB MET 12 2HB MET 12 3.179 -2.837 -9.913 97 2HB MET 12 3HB MET 12 3.801 -1.204 -10.265 98 1HG MET 12 2HG MET 12 1.638 -0.450 -11.007 99 2HG MET 12 3HG MET 12 0.972 -2.081 -10.980 100 1HE MET 12 1HE MET 12 2.723 0.551 -8.588 101 2HE MET 12 2HE MET 12 2.171 -0.052 -7.003 102 3HE MET 12 3HE MET 12 3.291 -1.023 -7.975 103 H THR 13 H THR 13 5.024 -2.523 -13.943 104 HA THR 13 HA THR 13 7.562 -3.053 -12.479 105 HB THR 13 HB THR 13 6.583 -4.560 -14.908 106 HG1 THR 13 1HG THR 13 5.997 -6.160 -13.339 107 1HG2 THR 13 1HG2 THR 13 8.607 -5.147 -12.701 108 2HG2 THR 13 2HG2 THR 13 8.220 -6.231 -14.060 109 3HG2 THR 13 3HG2 THR 13 9.015 -4.677 -14.363 110 H CYS 14 HN CYS 14 7.276 -0.541 -13.311 111 HA CYS 14 HA CYS 14 9.436 -0.407 -15.341 112 1HB CYS 14 2HB CYS 14 7.999 1.566 -16.376 113 2HB CYS 14 3HB CYS 14 7.777 -0.108 -16.851 114 H HIS 15 H HIS 15 8.992 0.123 -12.344 115 HA HIS 15 HA HIS 15 9.731 1.514 -10.764 116 1HB HIS 15 2HB HIS 15 11.226 3.026 -12.910 117 2HB HIS 15 3HB HIS 15 11.504 3.056 -11.170 118 HD1 HIS 15 1HD HIS 15 12.497 1.120 -14.197 119 HD2 HIS 15 2HD HIS 15 12.106 0.470 -10.058 120 HE1 HIS 15 1HE HIS 15 13.748 -1.050 -13.668 121 H SER 16 H SER 16 8.362 3.207 -13.530 122 HA SER 16 HA SER 16 7.757 5.639 -12.376 123 1HB SER 16 2HB SER 16 7.687 4.822 -14.809 124 2HB SER 16 3HB SER 16 6.040 4.254 -14.488 125 HG SER 16 HG SER 16 6.330 6.459 -15.344 126 H CYS 17 HN CYS 17 5.624 2.712 -12.528 127 HA CYS 17 HA CYS 17 3.401 3.929 -11.297 128 1HB CYS 17 2HB CYS 17 4.107 0.969 -11.240 129 2HB CYS 17 3HB CYS 17 2.513 1.713 -11.074 130 H THR 18 H THR 18 5.680 1.579 -9.878 131 HA THR 18 HA THR 18 4.934 1.631 -7.229 132 HB THR 18 HB THR 18 6.562 0.072 -7.965 133 HG1 THR 18 1HG THR 18 8.192 0.428 -6.373 134 1HG2 THR 18 1HG2 THR 18 8.611 2.284 -8.373 135 2HG2 THR 18 2HG2 THR 18 8.827 0.563 -8.608 136 3HG2 THR 18 3HG2 THR 18 7.737 1.440 -9.690 137 H SER 19 H SER 19 7.387 3.861 -8.695 138 HA SER 19 HA SER 19 7.725 5.268 -6.234 139 1HB SER 19 2HB SER 19 9.395 5.127 -8.070 140 2HB SER 19 3HB SER 19 8.366 6.155 -9.093 141 HG SER 19 HG SER 19 10.062 7.266 -7.890 142 H THR 20 H THR 20 5.688 5.955 -9.164 143 HA THR 20 HA THR 20 4.733 8.480 -8.307 144 HB THR 20 HB THR 20 3.390 6.330 -9.999 145 HG1 THR 20 1HG THR 20 5.151 7.136 -10.997 146 1HG2 THR 20 1HG2 THR 20 2.596 9.237 -9.524 147 2HG2 THR 20 2HG2 THR 20 1.985 8.220 -10.845 148 3HG2 THR 20 3HG2 THR 20 1.620 7.793 -9.168 149 H ILE 21 H ILE 21 3.492 5.135 -7.535 150 HA ILE 21 HA ILE 21 1.289 6.150 -6.012 151 HB ILE 21 HB ILE 21 2.658 3.517 -6.592 152 1HG1 ILE 21 2HG1 ILE 21 -0.296 4.104 -6.343 153 2HG1 ILE 21 3HG1 ILE 21 0.634 4.671 -7.729 154 1HG2 ILE 21 1HG2 ILE 21 0.868 3.910 -4.217 155 2HG2 ILE 21 2HG2 ILE 21 1.250 2.338 -4.954 156 3HG2 ILE 21 3HG2 ILE 21 2.554 3.298 -4.238 157 1HD1 ILE 21 1HD1 ILE 21 0.410 1.747 -6.919 158 2HD1 ILE 21 2HD1 ILE 21 -0.456 2.564 -8.223 159 3HD1 ILE 21 3HD1 ILE 21 1.305 2.408 -8.314 160 H GLU 22 H GLU 22 4.578 4.965 -5.109 161 HA GLU 22 HA GLU 22 4.408 5.331 -2.371 162 1HB GLU 22 2HB GLU 22 6.511 5.026 -4.344 163 2HB GLU 22 3HB GLU 22 7.028 6.256 -3.227 164 1HG GLU 22 2HG GLU 22 6.523 4.675 -1.333 165 2HG GLU 22 3HG GLU 22 6.014 3.466 -2.531 166 H GLY 23 H GLY 23 5.285 7.825 -4.799 167 1HA GLY 23 1HA GLY 23 5.427 10.042 -3.075 168 2HA GLY 23 2HA GLY 23 5.001 10.092 -4.792 169 H LYS 24 H LYS 24 2.604 8.979 -5.079 170 HA LYS 24 HA LYS 24 0.952 11.093 -4.231 171 1HB LYS 24 2HB LYS 24 0.775 9.349 -6.243 172 2HB LYS 24 3HB LYS 24 -0.234 8.441 -5.151 173 1HG LYS 24 2HG LYS 24 -0.729 11.396 -5.729 174 2HG LYS 24 3HG LYS 24 -1.324 10.117 -6.782 175 1HD LYS 24 2HD LYS 24 -2.630 9.119 -4.921 176 2HD LYS 24 3HD LYS 24 -1.974 10.310 -3.801 177 1HE LYS 24 2HE LYS 24 -4.205 10.973 -4.388 178 2HE LYS 24 3HE LYS 24 -3.046 12.157 -5.002 179 1HZ LYS 24 1HZ LYS 24 -4.354 10.046 -6.603 180 2HZ LYS 24 2HZ LYS 24 -4.750 11.639 -6.600 181 3HZ LYS 24 3HZ LYS 24 -3.292 11.165 -7.183 182 H ILE 25 H ILE 25 0.896 7.687 -3.296 183 HA ILE 25 HA ILE 25 -1.134 8.057 -1.318 184 HB ILE 25 HB ILE 25 0.726 5.745 -1.846 185 1HG1 ILE 25 2HG1 ILE 25 -0.721 6.250 -3.740 186 2HG1 ILE 25 3HG1 ILE 25 -0.940 4.653 -3.022 187 1HG2 ILE 25 1HG2 ILE 25 -0.743 4.321 -0.573 188 2HG2 ILE 25 2HG2 ILE 25 -0.030 5.561 0.460 189 3HG2 ILE 25 3HG2 ILE 25 -1.712 5.706 -0.049 190 1HD1 ILE 25 1HD1 ILE 25 -2.711 7.034 -2.452 191 2HD1 ILE 25 2HD1 ILE 25 -3.079 5.725 -3.600 192 3HD1 ILE 25 3HD1 ILE 25 -2.927 5.364 -1.868 193 H GLY 26 H GLY 26 2.423 8.182 -1.310 194 1HA GLY 26 1HA GLY 26 3.089 8.251 1.341 195 2HA GLY 26 2HA GLY 26 3.727 9.363 0.119 196 H LYS 27 H LYS 27 1.195 10.781 -0.436 197 HA LYS 27 HA LYS 27 1.282 12.511 1.889 198 1HB LYS 27 2HB LYS 27 1.632 13.275 -0.452 199 2HB LYS 27 3HB LYS 27 -0.058 12.884 -0.829 200 1HG LYS 27 2HG LYS 27 -0.863 14.502 0.692 201 2HG LYS 27 3HG LYS 27 0.706 14.605 1.519 202 1HD LYS 27 2HD LYS 27 1.618 15.685 -0.617 203 2HD LYS 27 3HD LYS 27 -0.069 15.760 -1.186 204 1HE LYS 27 2HE LYS 27 -0.618 16.955 1.043 205 2HE LYS 27 3HE LYS 27 1.123 17.025 1.346 206 1HZ LYS 27 1HZ LYS 27 -0.310 18.302 -0.887 207 2HZ LYS 27 2HZ LYS 27 0.346 19.049 0.419 208 3HZ LYS 27 3HZ LYS 27 1.328 18.331 -0.687 209 H LEU 28 H LEU 28 -0.563 9.735 1.481 210 HA LEU 28 HA LEU 28 -3.190 10.794 2.051 211 1HB LEU 28 2HB LEU 28 -1.903 8.108 2.603 212 2HB LEU 28 3HB LEU 28 -3.567 8.530 2.937 213 HG LEU 28 HG LEU 28 -2.283 7.803 0.413 214 1HD1 LEU 28 1HD1 LEU 28 -3.908 6.432 1.624 215 2HD1 LEU 28 2HD1 LEU 28 -5.138 7.695 1.385 216 3HD1 LEU 28 3HD1 LEU 28 -4.469 6.817 -0.014 217 1HD2 LEU 28 1HD2 LEU 28 -3.894 8.960 -1.050 218 2HD2 LEU 28 2HD2 LEU 28 -4.480 9.911 0.326 219 3HD2 LEU 28 3HD2 LEU 28 -2.810 10.112 -0.270 220 H GLN 29 H GLN 29 -4.248 10.742 4.059 221 HA GLN 29 HA GLN 29 -2.539 11.316 6.395 222 1HB GLN 29 2HB GLN 29 -4.317 12.857 5.860 223 2HB GLN 29 3HB GLN 29 -5.540 11.576 5.919 224 1HG GLN 29 2HG GLN 29 -5.444 11.404 8.252 225 2HG GLN 29 3HG GLN 29 -3.784 12.019 8.332 226 1HE2 GLN 29 2HE2 GLN 29 -3.976 13.784 9.701 227 2HE2 GLN 29 1HE2 GLN 29 -5.025 15.143 9.341 228 H GLY 30 H GLY 30 -2.415 9.947 8.121 229 1HA GLY 30 1HA GLY 30 -3.178 8.319 9.610 230 2HA GLY 30 2HA GLY 30 -4.261 7.634 8.395 231 H VAL 31 H VAL 31 -1.106 8.378 7.282 232 HA VAL 31 HA VAL 31 -0.412 5.519 7.201 233 HB VAL 31 HB VAL 31 0.172 7.938 5.440 234 1HG1 VAL 31 1HG1 VAL 31 1.326 5.120 5.146 235 2HG1 VAL 31 2HG1 VAL 31 1.431 6.406 3.930 236 3HG1 VAL 31 3HG1 VAL 31 2.262 6.600 5.473 237 1HG2 VAL 31 1HG2 VAL 31 -1.295 5.298 5.061 238 2HG2 VAL 31 2HG2 VAL 31 -1.999 6.926 5.047 239 3HG2 VAL 31 3HG2 VAL 31 -0.927 6.412 3.732 240 H GLN 32 H GLN 32 1.665 4.849 7.619 241 HA GLN 32 HA GLN 32 3.297 6.606 9.412 242 1HB GLN 32 2HB GLN 32 2.559 3.680 9.416 243 2HB GLN 32 3HB GLN 32 4.064 4.201 10.166 244 1HG GLN 32 2HG GLN 32 1.545 5.627 10.851 245 2HG GLN 32 3HG GLN 32 1.891 4.077 11.615 246 1HE2 GLN 32 2HE2 GLN 32 1.840 5.525 13.622 247 2HE2 GLN 32 1HE2 GLN 32 3.382 6.248 14.072 248 H ARG 33 H ARG 33 3.392 4.075 6.830 249 HA ARG 33 HA ARG 33 5.761 5.287 5.666 250 1HB ARG 33 2HB ARG 33 6.188 3.120 7.508 251 2HB ARG 33 3HB ARG 33 6.200 2.403 5.906 252 1HG ARG 33 2HG ARG 33 8.412 2.922 6.222 253 2HG ARG 33 3HG ARG 33 7.848 4.244 5.205 254 1HD ARG 33 2HD ARG 33 7.412 4.995 7.962 255 2HD ARG 33 3HD ARG 33 9.021 4.269 7.877 256 HE ARG 33 HE ARG 33 8.793 6.110 5.737 257 1HH1 ARG 33 1HH2 ARG 33 8.728 6.158 9.253 258 2HH1 ARG 33 2HH2 ARG 33 9.476 7.714 9.427 259 1HH2 ARG 33 1HH1 ARG 33 9.746 8.220 5.903 260 2HH2 ARG 33 2HH1 ARG 33 10.047 8.923 7.458 261 H ILE 34 H ILE 34 6.295 4.036 3.632 262 HA ILE 34 HA ILE 34 4.215 2.340 2.607 263 HB ILE 34 HB ILE 34 3.288 4.501 2.065 264 1HG1 ILE 34 2HG1 ILE 34 4.621 3.399 -0.427 265 2HG1 ILE 34 3HG1 ILE 34 3.349 2.542 0.421 266 1HG2 ILE 34 1HG2 ILE 34 5.255 5.953 2.233 267 2HG2 ILE 34 2HG2 ILE 34 5.956 5.227 0.781 268 3HG2 ILE 34 3HG2 ILE 34 4.476 6.187 0.675 269 1HD1 ILE 34 1HD1 ILE 34 2.984 5.357 -0.702 270 2HD1 ILE 34 2HD1 ILE 34 2.424 3.851 -1.457 271 3HD1 ILE 34 3HD1 ILE 34 1.787 4.361 0.119 272 H LYS 35 H LYS 35 5.242 0.855 1.400 273 HA LYS 35 HA LYS 35 7.797 1.419 0.220 274 1HB LYS 35 2HB LYS 35 7.360 -0.542 2.434 275 2HB LYS 35 3HB LYS 35 8.435 -1.025 1.104 276 1HG LYS 35 2HG LYS 35 8.728 1.468 2.827 277 2HG LYS 35 3HG LYS 35 9.587 -0.058 3.071 278 1HD LYS 35 2HD LYS 35 10.573 0.139 0.774 279 2HD LYS 35 3HD LYS 35 9.795 1.724 0.593 280 1HE LYS 35 2HE LYS 35 10.995 2.500 2.667 281 2HE LYS 35 3HE LYS 35 11.932 0.994 2.620 282 1HZ LYS 35 1HZ LYS 35 11.779 3.012 0.468 283 2HZ LYS 35 2HZ LYS 35 13.053 2.807 1.494 284 3HZ LYS 35 3HZ LYS 35 12.669 1.632 0.406 285 H VAL 36 H VAL 36 8.317 0.008 -1.595 286 HA VAL 36 HA VAL 36 6.143 -1.808 -2.407 287 HB VAL 36 HB VAL 36 7.088 0.525 -4.116 288 1HG1 VAL 36 1HG1 VAL 36 5.170 -1.814 -4.681 289 2HG1 VAL 36 2HG1 VAL 36 5.362 -0.411 -5.740 290 3HG1 VAL 36 3HG1 VAL 36 6.717 -1.519 -5.499 291 1HG2 VAL 36 1HG2 VAL 36 4.324 -0.063 -2.986 292 2HG2 VAL 36 2HG2 VAL 36 5.396 1.275 -2.517 293 3HG2 VAL 36 3HG2 VAL 36 4.733 1.218 -4.145 294 H SER 37 H SER 37 7.118 -3.663 -2.747 295 HA SER 37 HA SER 37 9.915 -3.885 -3.667 296 1HB SER 37 2HB SER 37 7.938 -6.005 -2.992 297 2HB SER 37 3HB SER 37 9.681 -6.191 -3.228 298 HG SER 37 HG SER 37 9.314 -6.071 -1.032 299 H LEU 38 H LEU 38 9.202 -2.723 -5.677 300 HA LEU 38 HA LEU 38 7.484 -3.698 -7.676 301 1HB LEU 38 2HB LEU 38 8.561 -1.706 -8.092 302 2HB LEU 38 3HB LEU 38 10.178 -2.325 -7.745 303 HG LEU 38 HG LEU 38 8.803 -3.617 -10.079 304 1HD1 LEU 38 1HD1 LEU 38 9.346 -1.774 -11.592 305 2HD1 LEU 38 2HD1 LEU 38 8.108 -1.283 -10.416 306 3HD1 LEU 38 3HD1 LEU 38 9.802 -0.758 -10.214 307 1HD2 LEU 38 1HD2 LEU 38 11.585 -2.415 -9.684 308 2HD2 LEU 38 2HD2 LEU 38 11.183 -4.124 -9.462 309 3HD2 LEU 38 3HD2 LEU 38 11.051 -3.391 -11.063 310 H ASP 39 H ASP 39 10.753 -4.873 -6.769 311 HA ASP 39 HA ASP 39 11.377 -6.550 -8.742 312 1HB ASP 39 2HB ASP 39 11.522 -7.390 -5.790 313 2HB ASP 39 3HB ASP 39 12.615 -7.853 -7.076 314 H ASN 40 H ASN 40 9.379 -7.436 -5.946 315 HA ASN 40 HA ASN 40 8.759 -10.000 -7.208 316 1HB ASN 40 2HB ASN 40 9.593 -9.724 -4.825 317 2HB ASN 40 3HB ASN 40 7.893 -9.374 -4.457 318 1HD2 ASN 40 2HD2 ASN 40 6.425 -11.160 -5.890 319 2HD2 ASN 40 1HD2 ASN 40 6.964 -12.819 -5.617 320 H GLN 41 H GLN 41 7.626 -7.120 -7.742 321 HA GLN 41 HA GLN 41 5.830 -5.948 -7.972 322 1HB GLN 41 2HB GLN 41 5.640 -8.403 -9.397 323 2HB GLN 41 3HB GLN 41 4.019 -8.134 -8.842 324 1HG GLN 41 2HG GLN 41 3.936 -5.996 -9.987 325 2HG GLN 41 3HG GLN 41 5.690 -5.985 -10.239 326 1HE2 GLN 41 2HE2 GLN 41 6.537 -8.086 -11.414 327 2HE2 GLN 41 1HE2 GLN 41 5.585 -8.574 -12.813 328 H GLU 42 H GLU 42 6.002 -5.832 -5.551 329 HA GLU 42 HA GLU 42 3.346 -6.485 -4.372 330 1HB GLU 42 2HB GLU 42 5.187 -8.246 -4.058 331 2HB GLU 42 3HB GLU 42 5.927 -7.121 -2.915 332 1HG GLU 42 2HG GLU 42 4.142 -7.288 -1.397 333 2HG GLU 42 3HG GLU 42 3.005 -7.851 -2.624 334 H ALA 43 H ALA 43 2.546 -5.014 -3.047 335 HA ALA 43 HA ALA 43 4.069 -2.521 -2.506 336 1HB ALA 43 1HB ALA 43 1.871 -1.509 -2.157 337 2HB ALA 43 2HB ALA 43 1.986 -2.268 -3.759 338 3HB ALA 43 3HB ALA 43 1.092 -3.075 -2.454 339 H THR 44 H THR 44 4.492 -1.919 -0.446 340 HA THR 44 HA THR 44 3.638 -3.554 1.884 341 HB THR 44 HB THR 44 6.190 -1.924 1.337 342 HG1 THR 44 1HG THR 44 6.541 -3.779 0.306 343 1HG2 THR 44 1HG2 THR 44 5.364 -3.738 3.670 344 2HG2 THR 44 2HG2 THR 44 6.980 -3.031 3.442 345 3HG2 THR 44 3HG2 THR 44 5.594 -1.980 3.761 346 H ILE 45 H ILE 45 1.692 -2.167 2.124 347 HA ILE 45 HA ILE 45 2.168 0.780 2.344 348 HB ILE 45 HB ILE 45 -0.175 -1.074 2.069 349 1HG1 ILE 45 2HG1 ILE 45 1.140 -0.061 0.091 350 2HG1 ILE 45 3HG1 ILE 45 -0.617 0.085 0.053 351 1HG2 ILE 45 1HG2 ILE 45 -0.377 1.790 3.030 352 2HG2 ILE 45 2HG2 ILE 45 -1.702 0.883 2.255 353 3HG2 ILE 45 3HG2 ILE 45 -1.026 0.319 3.785 354 1HD1 ILE 45 1HD1 ILE 45 1.168 2.317 1.088 355 2HD1 ILE 45 2HD1 ILE 45 0.619 2.175 -0.595 356 3HD1 ILE 45 3HD1 ILE 45 -0.557 2.389 0.715 357 H VAL 46 H VAL 46 2.433 1.745 4.391 358 HA VAL 46 HA VAL 46 1.844 -0.057 6.705 359 HB VAL 46 HB VAL 46 4.040 1.974 6.744 360 1HG1 VAL 46 1HG1 VAL 46 4.948 0.408 8.406 361 2HG1 VAL 46 2HG1 VAL 46 3.320 0.980 8.820 362 3HG1 VAL 46 3HG1 VAL 46 3.540 -0.649 8.177 363 1HG2 VAL 46 1HG2 VAL 46 4.154 -0.755 5.450 364 2HG2 VAL 46 2HG2 VAL 46 4.703 0.786 4.792 365 3HG2 VAL 46 3HG2 VAL 46 5.595 0.034 6.123 366 H TYR 47 H TYR 47 0.137 0.683 7.868 367 HA TYR 47 HA TYR 47 -0.174 3.630 8.135 368 1HB TYR 47 2HB TYR 47 -2.320 3.709 7.245 369 2HB TYR 47 3HB TYR 47 -1.441 2.701 6.117 370 HD1 TYR 47 1HD TYR 47 -1.816 0.160 6.195 371 HD2 TYR 47 2HD TYR 47 -4.208 2.910 8.505 372 HE1 TYR 47 1HE TYR 47 -3.537 -1.579 6.517 373 HE2 TYR 47 2HE TYR 47 -5.939 1.159 8.770 374 HH TYR 47 HH TYR 47 -5.387 -2.203 7.838 375 H GLN 48 H GLN 48 -2.125 4.153 9.524 376 HA GLN 48 HA GLN 48 -1.691 2.585 11.994 377 1HB GLN 48 2HB GLN 48 -0.969 4.917 11.824 378 2HB GLN 48 3HB GLN 48 -2.640 5.429 11.683 379 1HG GLN 48 2HG GLN 48 -3.132 4.992 13.898 380 2HG GLN 48 3HG GLN 48 -2.154 3.527 13.955 381 1HE2 GLN 48 2HE2 GLN 48 -2.293 5.610 16.002 382 2HE2 GLN 48 1HE2 GLN 48 -0.643 6.182 16.167 383 HA PRO 49 HA PRO 49 -5.965 1.366 10.940 384 1HB PRO 49 2HB PRO 49 -6.252 -0.740 12.647 385 2HB PRO 49 3HB PRO 49 -5.263 -0.796 11.165 386 1HG PRO 49 2HG PRO 49 -4.307 -0.287 13.991 387 2HG PRO 49 3HG PRO 49 -3.620 -1.409 12.776 388 1HD PRO 49 2HD PRO 49 -2.589 1.039 13.215 389 2HD PRO 49 3HD PRO 49 -2.633 0.333 11.568 390 H HIS 50 H HIS 50 -6.433 3.477 11.732 391 HA HIS 50 HA HIS 50 -8.506 3.611 13.645 392 1HB HIS 50 2HB HIS 50 -5.862 3.795 14.833 393 2HB HIS 50 3HB HIS 50 -6.506 5.423 14.785 394 HD1 HIS 50 1HD HIS 50 -6.778 5.538 17.404 395 HD2 HIS 50 2HD HIS 50 -8.816 2.358 15.542 396 HE1 HIS 50 1HE HIS 50 -8.299 4.500 19.169 397 H LEU 51 H LEU 51 -5.859 5.313 11.943 398 HA LEU 51 HA LEU 51 -7.436 7.780 11.743 399 1HB LEU 51 2HB LEU 51 -4.826 6.958 10.601 400 2HB LEU 51 3HB LEU 51 -5.513 8.573 10.409 401 HG LEU 51 HG LEU 51 -4.913 7.308 13.129 402 1HD1 LEU 51 1HD1 LEU 51 -2.812 7.738 11.861 403 2HD1 LEU 51 2HD1 LEU 51 -3.309 9.435 11.652 404 3HD1 LEU 51 3HD1 LEU 51 -2.978 8.792 13.271 405 1HD2 LEU 51 1HD2 LEU 51 -5.696 10.141 12.313 406 2HD2 LEU 51 2HD2 LEU 51 -6.631 9.032 13.340 407 3HD2 LEU 51 3HD2 LEU 51 -5.106 9.691 13.925 408 H ILE 52 H ILE 52 -6.438 5.099 9.534 409 HA ILE 52 HA ILE 52 -8.527 5.834 7.677 410 HB ILE 52 HB ILE 52 -6.048 6.884 7.266 411 1HG1 ILE 52 2HG1 ILE 52 -6.482 6.620 4.803 412 2HG1 ILE 52 3HG1 ILE 52 -7.916 5.675 5.317 413 1HG2 ILE 52 1HG2 ILE 52 -4.660 5.549 5.833 414 2HG2 ILE 52 2HG2 ILE 52 -4.913 4.663 7.336 415 3HG2 ILE 52 3HG2 ILE 52 -5.803 4.196 5.851 416 1HD1 ILE 52 1HD1 ILE 52 -7.279 8.580 6.056 417 2HD1 ILE 52 2HD1 ILE 52 -8.439 8.082 4.813 418 3HD1 ILE 52 3HD1 ILE 52 -8.759 7.715 6.516 419 H SER 53 H SER 53 -8.603 3.888 5.989 420 HA SER 53 HA SER 53 -8.299 1.375 7.568 421 1HB SER 53 2HB SER 53 -10.417 0.745 6.444 422 2HB SER 53 3HB SER 53 -10.601 2.228 7.398 423 HG SER 53 HG SER 53 -11.492 2.522 5.306 424 H VAL 54 H VAL 54 -7.880 -0.526 6.413 425 HA VAL 54 HA VAL 54 -6.307 -0.806 4.167 426 HB VAL 54 HB VAL 54 -8.572 -2.442 5.313 427 1HG1 VAL 54 1HG1 VAL 54 -8.820 -2.990 2.981 428 2HG1 VAL 54 2HG1 VAL 54 -7.055 -3.070 2.770 429 3HG1 VAL 54 3HG1 VAL 54 -7.920 -4.301 3.732 430 1HG2 VAL 54 1HG2 VAL 54 -6.909 -3.445 6.460 431 2HG2 VAL 54 2HG2 VAL 54 -6.038 -3.824 4.966 432 3HG2 VAL 54 3HG2 VAL 54 -5.759 -2.283 5.761 433 H GLU 55 H GLU 55 -9.887 -0.425 4.180 434 HA GLU 55 HA GLU 55 -10.090 -0.844 1.392 435 1HB GLU 55 2HB GLU 55 -11.954 -1.198 2.858 436 2HB GLU 55 3HB GLU 55 -11.955 0.510 3.296 437 1HG GLU 55 2HG GLU 55 -12.340 -0.338 0.421 438 2HG GLU 55 3HG GLU 55 -13.699 -0.377 1.556 439 H GLU 56 H GLU 56 -9.825 2.324 3.193 440 HA GLU 56 HA GLU 56 -10.018 3.889 0.868 441 1HB GLU 56 2HB GLU 56 -9.316 4.347 3.662 442 2HB GLU 56 3HB GLU 56 -8.085 5.099 2.646 443 1HG GLU 56 2HG GLU 56 -11.073 5.562 2.322 444 2HG GLU 56 3HG GLU 56 -9.939 6.652 3.132 445 H MET 57 H MET 57 -7.138 2.383 2.503 446 HA MET 57 HA MET 57 -5.186 3.307 0.799 447 1HB MET 57 2HB MET 57 -5.256 0.566 1.947 448 2HB MET 57 3HB MET 57 -3.885 1.556 1.532 449 1HG MET 57 2HG MET 57 -5.445 3.069 3.437 450 2HG MET 57 3HG MET 57 -5.306 1.394 3.992 451 1HE MET 57 1HE MET 57 -1.690 4.104 3.151 452 2HE MET 57 2HE MET 57 -2.838 3.586 1.907 453 3HE MET 57 3HE MET 57 -3.353 4.745 3.162 454 H LYS 58 H LYS 58 -6.929 0.172 0.483 455 HA LYS 58 HA LYS 58 -5.848 -0.468 -2.089 456 1HB LYS 58 2HB LYS 58 -6.470 -2.215 -1.281 457 2HB LYS 58 3HB LYS 58 -7.884 -1.630 -0.288 458 1HG LYS 58 2HG LYS 58 -8.097 -1.895 -3.325 459 2HG LYS 58 3HG LYS 58 -7.921 -3.337 -2.376 460 1HD LYS 58 2HD LYS 58 -9.856 -2.600 -0.918 461 2HD LYS 58 3HD LYS 58 -10.121 -1.246 -2.035 462 1HE LYS 58 2HE LYS 58 -10.490 -2.815 -3.903 463 2HE LYS 58 3HE LYS 58 -10.092 -4.191 -2.867 464 1HZ LYS 58 1HZ LYS 58 -12.402 -2.393 -2.548 465 2HZ LYS 58 2HZ LYS 58 -12.429 -3.946 -3.093 466 3HZ LYS 58 3HZ LYS 58 -12.026 -3.632 -1.528 467 H LYS 59 H LYS 59 -9.086 0.849 -1.295 468 HA LYS 59 HA LYS 59 -10.082 1.072 -3.865 469 1HB LYS 59 2HB LYS 59 -11.152 1.601 -1.606 470 2HB LYS 59 3HB LYS 59 -10.441 3.196 -1.743 471 1HG LYS 59 2HG LYS 59 -11.832 2.708 -4.221 472 2HG LYS 59 3HG LYS 59 -12.831 2.006 -2.936 473 1HD LYS 59 2HD LYS 59 -13.568 4.255 -3.121 474 2HD LYS 59 3HD LYS 59 -12.601 4.148 -1.644 475 1HE LYS 59 2HE LYS 59 -10.683 4.788 -3.614 476 2HE LYS 59 3HE LYS 59 -12.101 5.646 -4.200 477 1HZ LYS 59 1HZ LYS 59 -10.953 5.921 -1.466 478 2HZ LYS 59 2HZ LYS 59 -10.635 6.909 -2.706 479 3HZ LYS 59 3HZ LYS 59 -12.163 6.811 -2.082 480 H GLN 60 H GLN 60 -8.051 3.451 -2.045 481 HA GLN 60 HA GLN 60 -7.857 5.331 -4.223 482 1HB GLN 60 2HB GLN 60 -6.008 4.734 -1.940 483 2HB GLN 60 3HB GLN 60 -5.804 6.119 -3.015 484 1HG GLN 60 2HG GLN 60 -8.386 5.678 -1.452 485 2HG GLN 60 3HG GLN 60 -7.010 6.568 -0.811 486 1HE2 GLN 60 2HE2 GLN 60 -6.594 8.675 -1.614 487 2HE2 GLN 60 1HE2 GLN 60 -7.728 9.495 -2.675 488 H ILE 61 H ILE 61 -5.769 2.529 -3.304 489 HA ILE 61 HA ILE 61 -3.814 3.060 -5.367 490 HB ILE 61 HB ILE 61 -4.314 0.678 -3.581 491 1HG1 ILE 61 2HG1 ILE 61 -2.247 2.926 -3.709 492 2HG1 ILE 61 3HG1 ILE 61 -3.584 2.925 -2.608 493 1HG2 ILE 61 1HG2 ILE 61 -2.058 -0.085 -4.360 494 2HG2 ILE 61 2HG2 ILE 61 -3.224 -0.108 -5.669 495 3HG2 ILE 61 3HG2 ILE 61 -2.052 1.221 -5.568 496 1HD1 ILE 61 1HD1 ILE 61 -1.270 0.989 -2.583 497 2HD1 ILE 61 2HD1 ILE 61 -1.754 2.183 -1.363 498 3HD1 ILE 61 3HD1 ILE 61 -2.773 0.756 -1.647 499 H GLU 62 H GLU 62 -6.162 0.239 -5.117 500 HA GLU 62 HA GLU 62 -5.968 -0.558 -7.750 501 1HB GLU 62 2HB GLU 62 -7.667 -1.012 -5.443 502 2HB GLU 62 3HB GLU 62 -8.722 -0.621 -6.768 503 1HG GLU 62 2HG GLU 62 -7.602 -2.421 -8.088 504 2HG GLU 62 3HG GLU 62 -6.533 -2.755 -6.714 505 H ALA 63 H ALA 63 -7.897 2.270 -6.537 506 HA ALA 63 HA ALA 63 -9.307 2.745 -8.927 507 1HB ALA 63 1HB ALA 63 -9.835 4.016 -6.957 508 2HB ALA 63 2HB ALA 63 -8.176 4.693 -6.907 509 3HB ALA 63 3HB ALA 63 -9.301 5.150 -8.201 510 H MET 64 H MET 64 -5.851 3.372 -8.262 511 HA MET 64 HA MET 64 -5.251 5.138 -10.387 512 1HB MET 64 2HB MET 64 -3.675 2.798 -9.276 513 2HB MET 64 3HB MET 64 -3.074 4.027 -10.378 514 1HG MET 64 2HG MET 64 -4.045 4.600 -7.554 515 2HG MET 64 3HG MET 64 -2.388 4.389 -8.107 516 1HE MET 64 1HE MET 64 -2.475 6.755 -6.495 517 2HE MET 64 2HE MET 64 -1.115 6.436 -7.600 518 3HE MET 64 3HE MET 64 -1.851 8.042 -7.558 519 H GLY 65 H GLY 65 -5.772 1.588 -10.290 520 1HA GLY 65 1HA GLY 65 -7.016 0.919 -12.420 521 2HA GLY 65 2HA GLY 65 -5.518 1.368 -13.259 522 H PHE 66 H PHE 66 -4.107 0.409 -10.618 523 HA PHE 66 HA PHE 66 -3.334 -2.080 -11.836 524 1HB PHE 66 2HB PHE 66 -2.512 -0.767 -9.250 525 2HB PHE 66 3HB PHE 66 -1.590 -2.014 -10.118 526 HD1 PHE 66 1HD PHE 66 -1.081 -1.276 -12.727 527 HD2 PHE 66 2HD PHE 66 -1.878 1.413 -9.458 528 HE1 PHE 66 1HE PHE 66 -0.082 0.602 -14.015 529 HE2 PHE 66 2HE PHE 66 -0.850 3.280 -10.741 530 HZ PHE 66 HZ PHE 66 -0.054 2.887 -13.050 531 HA PRO 67 HA PRO 67 -6.150 -4.294 -8.953 532 1HB PRO 67 2HB PRO 67 -5.627 -6.872 -9.704 533 2HB PRO 67 3HB PRO 67 -6.661 -5.771 -10.662 534 1HG PRO 67 2HG PRO 67 -3.733 -6.390 -11.075 535 2HG PRO 67 3HG PRO 67 -5.026 -6.391 -12.309 536 1HD PRO 67 2HD PRO 67 -3.349 -4.279 -11.936 537 2HD PRO 67 3HD PRO 67 -5.068 -4.009 -12.367 538 H ALA 68 H ALA 68 -5.658 -4.982 -6.872 539 HA ALA 68 HA ALA 68 -2.885 -5.856 -6.284 540 1HB ALA 68 1HB ALA 68 -3.163 -3.419 -5.722 541 2HB ALA 68 2HB ALA 68 -4.460 -3.877 -4.601 542 3HB ALA 68 3HB ALA 68 -2.811 -4.510 -4.350 543 H PHE 69 H PHE 69 -2.764 -7.498 -4.761 544 HA PHE 69 HA PHE 69 -5.365 -8.503 -3.618 545 1HB PHE 69 2HB PHE 69 -2.814 -9.819 -4.329 546 2HB PHE 69 3HB PHE 69 -3.932 -10.509 -3.152 547 HD1 PHE 69 1HD PHE 69 -6.360 -10.940 -3.831 548 HD2 PHE 69 2HD PHE 69 -3.222 -10.178 -6.703 549 HE1 PHE 69 1HE PHE 69 -7.630 -12.180 -5.557 550 HE2 PHE 69 2HE PHE 69 -4.502 -11.416 -8.417 551 HZ PHE 69 HZ PHE 69 -6.700 -12.433 -7.847 552 H VAL 70 H VAL 70 -5.311 -6.879 -2.015 553 HA VAL 70 HA VAL 70 -3.419 -6.726 0.138 554 HB VAL 70 HB VAL 70 -6.354 -6.098 -0.320 555 1HG1 VAL 70 1HG1 VAL 70 -6.250 -5.099 2.085 556 2HG1 VAL 70 2HG1 VAL 70 -6.680 -6.797 1.888 557 3HG1 VAL 70 3HG1 VAL 70 -5.035 -6.356 2.378 558 1HG2 VAL 70 1HG2 VAL 70 -4.484 -4.579 -1.018 559 2HG2 VAL 70 2HG2 VAL 70 -5.547 -3.844 0.207 560 3HG2 VAL 70 3HG2 VAL 70 -3.982 -4.532 0.689 561 H LYS 71 H LYS 71 -2.694 -8.612 1.080 562 HA LYS 71 HA LYS 71 -4.613 -10.093 2.649 563 1HB LYS 71 2HB LYS 71 -4.141 -12.247 1.791 564 2HB LYS 71 3HB LYS 71 -5.037 -11.200 0.684 565 1HG LYS 71 2HG LYS 71 -2.751 -10.632 -0.310 566 2HG LYS 71 3HG LYS 71 -2.155 -12.011 0.595 567 1HD LYS 71 2HD LYS 71 -3.848 -13.488 -0.555 568 2HD LYS 71 3HD LYS 71 -4.515 -12.066 -1.373 569 1HE LYS 71 2HE LYS 71 -2.196 -11.767 -2.456 570 2HE LYS 71 3HE LYS 71 -1.806 -13.381 -1.849 571 1HZ LYS 71 1HZ LYS 71 -4.015 -12.714 -3.717 572 2HZ LYS 71 2HZ LYS 71 -2.609 -13.444 -4.112 573 3HZ LYS 71 3HZ LYS 71 -3.681 -14.219 -3.143 574 H LYS 72 H LYS 72 -2.799 -8.588 3.865 575 HA LYS 72 HA LYS 72 -1.384 -10.598 5.384 576 1HB LYS 72 2HB LYS 72 -0.015 -8.961 3.384 577 2HB LYS 72 3HB LYS 72 0.661 -8.658 4.981 578 1HG LYS 72 2HG LYS 72 0.379 -11.428 3.745 579 2HG LYS 72 3HG LYS 72 1.841 -10.441 3.684 580 1HD LYS 72 2HD LYS 72 2.461 -11.000 5.775 581 2HD LYS 72 3HD LYS 72 0.908 -10.507 6.426 582 1HE LYS 72 2HE LYS 72 1.124 -12.759 7.048 583 2HE LYS 72 3HE LYS 72 -0.038 -12.765 5.713 584 1HZ LYS 72 1HZ LYS 72 2.835 -13.434 5.574 585 2HZ LYS 72 2HZ LYS 72 1.584 -14.493 5.472 586 3HZ LYS 72 3HZ LYS 72 1.826 -13.397 4.268 587 H ILE 73 H ILE 73 -1.150 -9.841 7.505 588 HA ILE 73 HA ILE 73 -1.318 -6.932 8.009 589 HB ILE 73 HB ILE 73 -2.919 -9.026 9.574 590 1HG1 ILE 73 2HG1 ILE 73 -4.762 -7.202 8.803 591 2HG1 ILE 73 3HG1 ILE 73 -3.662 -7.016 7.453 592 1HG2 ILE 73 1HG2 ILE 73 -2.032 -7.162 11.017 593 2HG2 ILE 73 2HG2 ILE 73 -2.768 -6.005 9.892 594 3HG2 ILE 73 3HG2 ILE 73 -3.780 -7.110 10.841 595 1HD1 ILE 73 1HD1 ILE 73 -5.054 -9.570 8.411 596 2HD1 ILE 73 2HD1 ILE 73 -5.440 -8.641 6.951 597 3HD1 ILE 73 3HD1 ILE 73 -3.921 -9.544 7.049 598 H GLU 74 H GLU 74 1.001 -7.509 7.855 599 HA GLU 74 HA GLU 74 2.156 -8.964 10.185 600 1HB GLU 74 2HB GLU 74 3.276 -7.786 7.645 601 2HB GLU 74 3HB GLU 74 4.325 -8.078 9.030 602 1HG GLU 74 2HG GLU 74 2.481 -10.283 8.092 603 2HG GLU 74 3HG GLU 74 3.913 -9.869 7.109 604 H GLY 75 H GLY 75 1.692 -7.793 11.975 605 1HA GLY 75 1HA GLY 75 1.321 -4.963 11.995 606 2HA GLY 75 2HA GLY 75 1.448 -6.010 13.411 607 H ARG 76 H ARG 76 3.950 -6.943 13.591 608 HA ARG 76 HA ARG 76 6.045 -5.109 13.096 609 1HB ARG 76 2HB ARG 76 4.364 -4.644 15.461 610 2HB ARG 76 3HB ARG 76 5.922 -5.300 15.972 611 1HG ARG 76 2HG ARG 76 7.056 -3.514 14.582 612 2HG ARG 76 3HG ARG 76 5.447 -2.823 14.286 613 1HD ARG 76 2HD ARG 76 5.358 -3.075 17.012 614 2HD ARG 76 3HD ARG 76 7.116 -2.932 16.784 615 HE ARG 76 HE ARG 76 5.466 -0.897 15.398 616 1HH1 ARG 76 1HH2 ARG 76 6.729 -1.691 18.567 617 2HH1 ARG 76 2HH2 ARG 76 6.855 -0.039 19.098 618 1HH2 ARG 76 1HH1 ARG 76 5.948 1.231 15.874 619 2HH2 ARG 76 2HH1 ARG 76 6.318 1.717 17.515 Start of MODEL 15 1 1H GLY 1 1H GLY 1 5.192 -0.596 13.992 2 2H GLY 1 2H GLY 1 6.079 -0.469 15.389 3 3H GLY 1 3H GLY 1 4.789 -1.514 15.291 4 1HA GLY 1 1HA GLY 1 4.154 0.397 16.550 5 2HA GLY 1 2HA GLY 1 4.581 1.400 15.146 6 H GLU 2 H GLU 2 3.030 1.737 13.664 7 HA GLU 2 HA GLU 2 0.476 0.793 13.461 8 1HB GLU 2 2HB GLU 2 2.580 1.794 11.517 9 2HB GLU 2 3HB GLU 2 0.964 1.464 10.952 10 1HG GLU 2 2HG GLU 2 0.711 3.681 11.425 11 2HG GLU 2 3HG GLU 2 0.175 2.988 12.957 12 H VAL 3 H VAL 3 -0.305 -0.227 11.242 13 HA VAL 3 HA VAL 3 0.593 -3.028 11.343 14 HB VAL 3 HB VAL 3 -1.551 -3.639 10.752 15 1HG1 VAL 3 1HG1 VAL 3 -1.128 -3.301 13.146 16 2HG1 VAL 3 2HG1 VAL 3 -1.721 -1.629 13.024 17 3HG1 VAL 3 3HG1 VAL 3 -2.821 -2.987 12.729 18 1HG2 VAL 3 1HG2 VAL 3 -2.217 -1.929 9.274 19 2HG2 VAL 3 2HG2 VAL 3 -3.429 -2.060 10.566 20 3HG2 VAL 3 3HG2 VAL 3 -2.239 -0.741 10.589 21 H VAL 4 H VAL 4 1.472 -3.894 9.489 22 HA VAL 4 HA VAL 4 1.625 -2.225 7.117 23 HB VAL 4 HB VAL 4 3.655 -2.582 7.949 24 1HG1 VAL 4 1HG1 VAL 4 3.423 -4.207 9.529 25 2HG1 VAL 4 2HG1 VAL 4 2.924 -5.408 8.298 26 3HG1 VAL 4 3HG1 VAL 4 4.617 -4.834 8.373 27 1HG2 VAL 4 1HG2 VAL 4 3.228 -3.069 5.481 28 2HG2 VAL 4 2HG2 VAL 4 4.724 -3.797 6.147 29 3HG2 VAL 4 3HG2 VAL 4 3.272 -4.799 5.900 30 H LEU 5 H LEU 5 0.259 -2.718 5.477 31 HA LEU 5 HA LEU 5 -0.917 -5.453 5.361 32 1HB LEU 5 2HB LEU 5 -2.653 -4.594 4.087 33 2HB LEU 5 3HB LEU 5 -2.362 -3.335 5.287 34 HG LEU 5 HG LEU 5 -0.844 -2.315 3.560 35 1HD1 LEU 5 1HD1 LEU 5 -2.686 -3.342 1.422 36 2HD1 LEU 5 2HD1 LEU 5 -0.980 -2.859 1.329 37 3HD1 LEU 5 3HD1 LEU 5 -1.432 -4.462 1.930 38 1HD2 LEU 5 1HD2 LEU 5 -3.869 -2.260 3.158 39 2HD2 LEU 5 2HD2 LEU 5 -2.947 -1.256 4.301 40 3HD2 LEU 5 3HD2 LEU 5 -2.772 -1.027 2.552 41 H LYS 6 H LYS 6 -0.278 -6.750 3.629 42 HA LYS 6 HA LYS 6 1.796 -5.668 1.785 43 1HB LYS 6 2HB LYS 6 2.111 -7.758 3.605 44 2HB LYS 6 3HB LYS 6 1.607 -8.594 2.140 45 1HG LYS 6 2HG LYS 6 3.763 -8.625 1.668 46 2HG LYS 6 3HG LYS 6 3.524 -6.986 1.056 47 1HD LYS 6 2HD LYS 6 4.256 -6.062 3.235 48 2HD LYS 6 3HD LYS 6 4.283 -7.695 3.938 49 1HE LYS 6 2HE LYS 6 6.007 -8.325 2.136 50 2HE LYS 6 3HE LYS 6 6.145 -6.593 1.789 51 1HZ LYS 6 1HZ LYS 6 6.637 -7.883 4.404 52 2HZ LYS 6 2HZ LYS 6 7.798 -7.386 3.353 53 3HZ LYS 6 3HZ LYS 6 6.821 -6.278 4.080 54 H MET 7 H MET 7 1.037 -5.617 -0.317 55 HA MET 7 HA MET 7 -1.146 -7.422 -1.055 56 1HB MET 7 2HB MET 7 -2.270 -5.582 -2.165 57 2HB MET 7 3HB MET 7 -1.972 -5.177 -0.463 58 1HG MET 7 2HG MET 7 0.032 -4.041 -1.168 59 2HG MET 7 3HG MET 7 -0.626 -4.087 -2.831 60 1HE MET 7 1HE MET 7 -3.696 -3.390 -2.333 61 2HE MET 7 2HE MET 7 -3.708 -1.612 -2.295 62 3HE MET 7 3HE MET 7 -2.738 -2.446 -3.521 63 H LYS 8 H LYS 8 -0.958 -8.347 -2.863 64 HA LYS 8 HA LYS 8 1.606 -8.068 -4.403 65 1HB LYS 8 2HB LYS 8 -0.736 -10.012 -4.603 66 2HB LYS 8 3HB LYS 8 0.522 -9.877 -5.830 67 1HG LYS 8 2HG LYS 8 1.114 -11.618 -4.497 68 2HG LYS 8 3HG LYS 8 2.241 -10.294 -4.118 69 1HD LYS 8 2HD LYS 8 1.147 -9.907 -1.961 70 2HD LYS 8 3HD LYS 8 -0.211 -10.940 -2.426 71 1HE LYS 8 2HE LYS 8 1.097 -12.257 -0.924 72 2HE LYS 8 3HE LYS 8 1.430 -12.903 -2.541 73 1HZ LYS 8 1HZ LYS 8 3.149 -11.088 -0.952 74 2HZ LYS 8 2HZ LYS 8 3.498 -12.651 -1.369 75 3HZ LYS 8 3HZ LYS 8 3.480 -11.399 -2.449 76 H VAL 9 H VAL 9 1.709 -6.916 -6.400 77 HA VAL 9 HA VAL 9 -0.901 -5.974 -7.503 78 HB VAL 9 HB VAL 9 0.201 -3.929 -8.089 79 1HG1 VAL 9 1HG1 VAL 9 0.564 -3.979 -5.107 80 2HG1 VAL 9 2HG1 VAL 9 -0.339 -2.839 -6.127 81 3HG1 VAL 9 3HG1 VAL 9 -1.018 -4.433 -5.759 82 1HG2 VAL 9 1HG2 VAL 9 2.523 -4.801 -6.314 83 2HG2 VAL 9 2HG2 VAL 9 2.578 -4.520 -8.068 84 3HG2 VAL 9 3HG2 VAL 9 2.293 -3.172 -6.959 85 H GLU 10 H GLU 10 -0.980 -5.864 -9.747 86 HA GLU 10 HA GLU 10 1.219 -7.344 -11.147 87 1HB GLU 10 2HB GLU 10 -1.616 -6.841 -12.018 88 2HB GLU 10 3HB GLU 10 -0.428 -7.832 -12.856 89 1HG GLU 10 2HG GLU 10 -1.269 -8.544 -10.003 90 2HG GLU 10 3HG GLU 10 -2.207 -9.022 -11.414 91 H GLY 11 H GLY 11 2.196 -6.391 -12.885 92 1HA GLY 11 1HA GLY 11 2.131 -5.065 -14.852 93 2HA GLY 11 2HA GLY 11 1.071 -3.891 -14.073 94 H MET 12 H MET 12 2.808 -3.850 -11.578 95 HA MET 12 HA MET 12 4.339 -1.589 -12.516 96 1HB MET 12 2HB MET 12 4.404 -2.790 -9.735 97 2HB MET 12 3HB MET 12 4.960 -1.208 -10.324 98 1HG MET 12 2HG MET 12 2.522 -0.695 -10.903 99 2HG MET 12 3HG MET 12 2.110 -2.248 -10.161 100 1HE MET 12 1HE MET 12 0.634 -1.768 -8.341 101 2HE MET 12 2HE MET 12 0.746 -0.421 -7.205 102 3HE MET 12 3HE MET 12 0.435 -0.110 -8.941 103 H THR 13 H THR 13 5.627 -2.903 -13.978 104 HA THR 13 HA THR 13 8.041 -4.174 -12.764 105 HB THR 13 HB THR 13 7.254 -4.192 -15.674 106 HG1 THR 13 1HG THR 13 5.845 -5.740 -15.267 107 1HG2 THR 13 1HG2 THR 13 8.730 -6.208 -13.912 108 2HG2 THR 13 2HG2 THR 13 8.446 -6.352 -15.660 109 3HG2 THR 13 3HG2 THR 13 9.530 -5.096 -15.042 110 H CYS 14 HN CYS 14 7.860 -1.293 -12.526 111 HA CYS 14 HA CYS 14 10.396 -0.659 -13.670 112 1HB CYS 14 2HB CYS 14 9.792 1.228 -15.017 113 2HB CYS 14 3HB CYS 14 8.905 -0.155 -15.633 114 H HIS 15 H HIS 15 10.961 1.640 -12.970 115 HA HIS 15 HA HIS 15 10.186 1.963 -10.175 116 1HB HIS 15 2HB HIS 15 12.227 3.317 -11.928 117 2HB HIS 15 3HB HIS 15 11.845 3.860 -10.293 118 HD1 HIS 15 1HD HIS 15 13.016 0.515 -11.920 119 HD2 HIS 15 2HD HIS 15 13.028 2.681 -8.311 120 HE1 HIS 15 1HE HIS 15 14.435 -0.814 -10.270 121 H SER 16 H SER 16 8.784 3.007 -13.072 122 HA SER 16 HA SER 16 8.140 5.717 -12.279 123 1HB SER 16 2HB SER 16 8.321 4.851 -14.667 124 2HB SER 16 3HB SER 16 6.715 4.129 -14.443 125 HG SER 16 HG SER 16 6.636 6.256 -15.304 126 H CYS 17 HN CYS 17 5.986 2.827 -12.770 127 HA CYS 17 HA CYS 17 3.697 3.998 -11.732 128 1HB CYS 17 2HB CYS 17 4.347 1.036 -11.434 129 2HB CYS 17 3HB CYS 17 2.775 1.812 -11.581 130 H THR 18 H THR 18 5.935 1.817 -10.075 131 HA THR 18 HA THR 18 4.889 1.798 -7.510 132 HB THR 18 HB THR 18 6.626 0.300 -8.271 133 HG1 THR 18 1HG THR 18 8.001 0.476 -6.421 134 1HG2 THR 18 1HG2 THR 18 8.698 2.508 -7.996 135 2HG2 THR 18 2HG2 THR 18 8.892 0.858 -8.602 136 3HG2 THR 18 3HG2 THR 18 7.978 2.039 -9.557 137 H SER 19 H SER 19 7.391 4.103 -8.764 138 HA SER 19 HA SER 19 7.568 5.579 -6.328 139 1HB SER 19 2HB SER 19 9.297 5.566 -8.096 140 2HB SER 19 3HB SER 19 8.194 6.438 -9.193 141 HG SER 19 HG SER 19 9.671 7.816 -8.089 142 H THR 20 H THR 20 5.625 6.154 -9.334 143 HA THR 20 HA THR 20 4.468 8.602 -8.569 144 HB THR 20 HB THR 20 3.399 6.292 -10.244 145 HG1 THR 20 1HG THR 20 4.634 7.194 -11.673 146 1HG2 THR 20 1HG2 THR 20 2.314 9.126 -9.944 147 2HG2 THR 20 2HG2 THR 20 1.882 8.007 -11.254 148 3HG2 THR 20 3HG2 THR 20 1.450 7.610 -9.584 149 H ILE 21 H ILE 21 3.328 5.214 -7.835 150 HA ILE 21 HA ILE 21 1.067 6.094 -6.311 151 HB ILE 21 HB ILE 21 2.607 3.573 -6.875 152 1HG1 ILE 21 2HG1 ILE 21 -0.383 3.865 -6.681 153 2HG1 ILE 21 3HG1 ILE 21 0.451 4.681 -8.004 154 1HG2 ILE 21 1HG2 ILE 21 1.202 2.319 -5.271 155 2HG2 ILE 21 2HG2 ILE 21 2.447 3.338 -4.530 156 3HG2 ILE 21 3HG2 ILE 21 0.734 3.873 -4.543 157 1HD1 ILE 21 1HD1 ILE 21 0.925 1.765 -7.406 158 2HD1 ILE 21 2HD1 ILE 21 -0.358 2.327 -8.484 159 3HD1 ILE 21 3HD1 ILE 21 1.344 2.657 -8.882 160 H GLU 22 H GLU 22 4.410 5.137 -5.386 161 HA GLU 22 HA GLU 22 4.101 5.424 -2.641 162 1HB GLU 22 2HB GLU 22 6.314 5.177 -4.514 163 2HB GLU 22 3HB GLU 22 6.769 6.299 -3.267 164 1HG GLU 22 2HG GLU 22 6.121 4.601 -1.539 165 2HG GLU 22 3HG GLU 22 5.580 3.518 -2.834 166 H GLY 23 H GLY 23 4.958 7.950 -5.006 167 1HA GLY 23 1HA GLY 23 5.089 10.169 -3.284 168 2HA GLY 23 2HA GLY 23 4.650 10.204 -5.000 169 H LYS 24 H LYS 24 2.264 8.982 -5.248 170 HA LYS 24 HA LYS 24 0.509 11.001 -4.378 171 1HB LYS 24 2HB LYS 24 0.315 9.212 -6.304 172 2HB LYS 24 3HB LYS 24 -0.438 8.209 -5.085 173 1HG LYS 24 2HG LYS 24 -2.358 9.190 -5.728 174 2HG LYS 24 3HG LYS 24 -1.865 10.546 -4.724 175 1HD LYS 24 2HD LYS 24 -0.884 11.699 -6.645 176 2HD LYS 24 3HD LYS 24 -1.091 10.270 -7.674 177 1HE LYS 24 2HE LYS 24 -3.575 10.437 -7.415 178 2HE LYS 24 3HE LYS 24 -3.363 11.926 -6.481 179 1HZ LYS 24 1HZ LYS 24 -2.527 11.513 -9.283 180 2HZ LYS 24 2HZ LYS 24 -3.850 12.348 -8.790 181 3HZ LYS 24 3HZ LYS 24 -2.349 12.911 -8.431 182 H ILE 25 H ILE 25 0.805 7.664 -3.255 183 HA ILE 25 HA ILE 25 -1.182 7.949 -1.210 184 HB ILE 25 HB ILE 25 0.788 5.730 -1.683 185 1HG1 ILE 25 2HG1 ILE 25 -0.627 6.126 -3.628 186 2HG1 ILE 25 3HG1 ILE 25 -0.833 4.551 -2.859 187 1HG2 ILE 25 1HG2 ILE 25 -1.703 5.814 0.048 188 2HG2 ILE 25 2HG2 ILE 25 -0.848 4.346 -0.437 189 3HG2 ILE 25 3HG2 ILE 25 -0.051 5.540 0.603 190 1HD1 ILE 25 1HD1 ILE 25 -2.645 6.946 -2.482 191 2HD1 ILE 25 2HD1 ILE 25 -2.975 5.548 -3.530 192 3HD1 ILE 25 3HD1 ILE 25 -2.869 5.326 -1.771 193 H GLY 26 H GLY 26 2.357 8.248 -1.273 194 1HA GLY 26 1HA GLY 26 3.018 8.411 1.397 195 2HA GLY 26 2HA GLY 26 3.671 9.449 0.119 196 H LYS 27 H LYS 27 1.009 10.752 -0.484 197 HA LYS 27 HA LYS 27 1.193 12.739 1.613 198 1HB LYS 27 2HB LYS 27 1.271 13.274 -0.770 199 2HB LYS 27 3HB LYS 27 -0.365 12.633 -1.007 200 1HG LYS 27 2HG LYS 27 -1.358 14.317 0.231 201 2HG LYS 27 3HG LYS 27 0.148 14.719 1.085 202 1HD LYS 27 2HD LYS 27 1.089 15.662 -1.007 203 2HD LYS 27 3HD LYS 27 -0.434 15.302 -1.856 204 1HE LYS 27 2HE LYS 27 -1.673 16.799 -0.312 205 2HE LYS 27 3HE LYS 27 -0.204 17.082 0.634 206 1HZ LYS 27 1HZ LYS 27 -0.604 17.911 -2.162 207 2HZ LYS 27 2HZ LYS 27 -0.647 18.888 -0.841 208 3HZ LYS 27 3HZ LYS 27 0.762 18.162 -1.273 209 H LEU 28 H LEU 28 -0.636 9.817 1.568 210 HA LEU 28 HA LEU 28 -3.180 10.967 2.277 211 1HB LEU 28 2HB LEU 28 -2.004 8.214 2.807 212 2HB LEU 28 3HB LEU 28 -3.651 8.729 3.104 213 HG LEU 28 HG LEU 28 -2.380 7.858 0.631 214 1HD1 LEU 28 1HD1 LEU 28 -5.310 8.089 1.360 215 2HD1 LEU 28 2HD1 LEU 28 -4.575 7.003 0.161 216 3HD1 LEU 28 3HD1 LEU 28 -4.273 6.760 1.890 217 1HD2 LEU 28 1HD2 LEU 28 -3.841 9.107 -0.913 218 2HD2 LEU 28 2HD2 LEU 28 -4.330 10.183 0.407 219 3HD2 LEU 28 3HD2 LEU 28 -2.642 10.159 -0.168 220 H GLN 29 H GLN 29 -4.120 11.023 4.341 221 HA GLN 29 HA GLN 29 -2.253 11.464 6.597 222 1HB GLN 29 2HB GLN 29 -3.909 13.153 6.179 223 2HB GLN 29 3HB GLN 29 -5.236 11.980 6.228 224 1HG GLN 29 2HG GLN 29 -5.020 11.633 8.563 225 2HG GLN 29 3HG GLN 29 -3.381 12.303 8.608 226 1HE2 GLN 29 2HE2 GLN 29 -6.548 13.087 9.439 227 2HE2 GLN 29 1HE2 GLN 29 -6.355 14.830 9.401 228 H GLY 30 H GLY 30 -1.937 9.859 8.060 229 1HA GLY 30 1HA GLY 30 -2.902 8.245 9.589 230 2HA GLY 30 2HA GLY 30 -3.949 7.640 8.314 231 H VAL 31 H VAL 31 -0.670 8.376 7.391 232 HA VAL 31 HA VAL 31 0.045 5.508 7.485 233 HB VAL 31 HB VAL 31 0.317 7.630 5.287 234 1HG1 VAL 31 1HG1 VAL 31 2.476 6.455 5.342 235 2HG1 VAL 31 2HG1 VAL 31 1.632 4.886 5.384 236 3HG1 VAL 31 3HG1 VAL 31 1.542 5.921 3.945 237 1HG2 VAL 31 1HG2 VAL 31 -0.856 5.978 3.904 238 2HG2 VAL 31 2HG2 VAL 31 -0.923 4.843 5.269 239 3HG2 VAL 31 3HG2 VAL 31 -1.825 6.373 5.331 240 H GLN 32 H GLN 32 2.082 4.991 8.162 241 HA GLN 32 HA GLN 32 3.813 7.264 9.030 242 1HB GLN 32 2HB GLN 32 4.846 5.808 10.528 243 2HB GLN 32 3HB GLN 32 3.098 5.762 10.776 244 1HG GLN 32 2HG GLN 32 3.019 3.583 10.453 245 2HG GLN 32 3HG GLN 32 3.949 3.614 8.989 246 1HE2 GLN 32 2HE2 GLN 32 4.365 3.439 12.577 247 2HE2 GLN 32 1HE2 GLN 32 6.007 2.819 12.450 248 H ARG 33 H ARG 33 3.652 4.401 6.919 249 HA ARG 33 HA ARG 33 6.104 5.166 5.583 250 1HB ARG 33 2HB ARG 33 6.375 3.372 7.723 251 2HB ARG 33 3HB ARG 33 6.117 2.289 6.386 252 1HG ARG 33 2HG ARG 33 8.296 2.409 5.959 253 2HG ARG 33 3HG ARG 33 8.058 4.060 5.379 254 1HD ARG 33 2HD ARG 33 8.732 3.168 8.219 255 2HD ARG 33 3HD ARG 33 9.815 4.008 7.078 256 HE ARG 33 HE ARG 33 7.362 5.489 7.538 257 1HH1 ARG 33 1HH2 ARG 33 10.362 4.722 9.210 258 2HH1 ARG 33 2HH2 ARG 33 10.365 6.174 10.168 259 1HH2 ARG 33 1HH1 ARG 33 7.253 7.246 8.731 260 2HH2 ARG 33 2HH1 ARG 33 8.518 7.754 9.844 261 H ILE 34 H ILE 34 6.430 3.721 3.684 262 HA ILE 34 HA ILE 34 4.261 2.091 2.786 263 HB ILE 34 HB ILE 34 3.320 4.260 2.363 264 1HG1 ILE 34 2HG1 ILE 34 4.540 3.048 -0.130 265 2HG1 ILE 34 3HG1 ILE 34 3.118 2.454 0.682 266 1HG2 ILE 34 1HG2 ILE 34 5.803 5.086 0.813 267 2HG2 ILE 34 2HG2 ILE 34 4.337 6.049 1.112 268 3HG2 ILE 34 3HG2 ILE 34 5.404 5.657 2.445 269 1HD1 ILE 34 1HD1 ILE 34 3.358 5.200 -0.628 270 2HD1 ILE 34 2HD1 ILE 34 2.432 3.817 -1.232 271 3HD1 ILE 34 3HD1 ILE 34 1.965 4.616 0.288 272 H LYS 35 H LYS 35 5.170 0.709 1.285 273 HA LYS 35 HA LYS 35 7.769 1.253 0.164 274 1HB LYS 35 2HB LYS 35 7.337 -0.791 2.299 275 2HB LYS 35 3HB LYS 35 8.297 -1.280 0.897 276 1HG LYS 35 2HG LYS 35 8.820 1.119 2.699 277 2HG LYS 35 3HG LYS 35 9.567 -0.478 2.864 278 1HD LYS 35 2HD LYS 35 10.447 -0.262 0.505 279 2HD LYS 35 3HD LYS 35 9.834 1.405 0.486 280 1HE LYS 35 2HE LYS 35 11.226 1.902 2.521 281 2HE LYS 35 3HE LYS 35 11.930 0.279 2.396 282 1HZ LYS 35 1HZ LYS 35 12.077 2.390 0.340 283 2HZ LYS 35 2HZ LYS 35 13.305 1.931 1.336 284 3HZ LYS 35 3HZ LYS 35 12.730 0.887 0.200 285 H VAL 36 H VAL 36 7.922 0.602 -1.964 286 HA VAL 36 HA VAL 36 6.133 -1.677 -2.725 287 HB VAL 36 HB VAL 36 6.507 0.917 -4.248 288 1HG1 VAL 36 1HG1 VAL 36 6.068 -1.102 -5.720 289 2HG1 VAL 36 2HG1 VAL 36 4.657 -1.492 -4.726 290 3HG1 VAL 36 3HG1 VAL 36 4.682 -0.008 -5.697 291 1HG2 VAL 36 1HG2 VAL 36 5.077 1.343 -2.315 292 2HG2 VAL 36 2HG2 VAL 36 4.138 1.356 -3.805 293 3HG2 VAL 36 3HG2 VAL 36 4.063 -0.054 -2.731 294 H SER 37 H SER 37 6.863 -3.116 -4.171 295 HA SER 37 HA SER 37 9.728 -2.962 -5.007 296 1HB SER 37 2HB SER 37 8.185 -5.263 -3.911 297 2HB SER 37 3HB SER 37 9.870 -5.320 -4.462 298 HG SER 37 HG SER 37 9.724 -5.044 -2.181 299 H LEU 38 H LEU 38 9.995 -3.365 -7.165 300 HA LEU 38 HA LEU 38 7.650 -3.954 -8.796 301 1HB LEU 38 2HB LEU 38 9.301 -3.655 -10.691 302 2HB LEU 38 3HB LEU 38 8.818 -2.248 -9.759 303 HG LEU 38 HG LEU 38 11.314 -3.638 -8.841 304 1HD1 LEU 38 1HD1 LEU 38 11.235 -1.951 -11.363 305 2HD1 LEU 38 2HD1 LEU 38 12.689 -2.538 -10.519 306 3HD1 LEU 38 3HD1 LEU 38 11.584 -3.693 -11.275 307 1HD2 LEU 38 1HD2 LEU 38 10.298 -1.515 -7.806 308 2HD2 LEU 38 2HD2 LEU 38 11.991 -1.381 -8.320 309 3HD2 LEU 38 3HD2 LEU 38 10.693 -0.694 -9.321 310 H ASP 39 H ASP 39 10.895 -5.505 -8.249 311 HA ASP 39 HA ASP 39 10.788 -7.525 -10.055 312 1HB ASP 39 2HB ASP 39 11.795 -7.855 -7.185 313 2HB ASP 39 3HB ASP 39 12.334 -8.710 -8.618 314 H ASN 40 H ASN 40 9.821 -7.757 -6.652 315 HA ASN 40 HA ASN 40 8.560 -10.308 -7.081 316 1HB ASN 40 2HB ASN 40 9.898 -9.526 -5.062 317 2HB ASN 40 3HB ASN 40 8.348 -8.871 -4.507 318 1HD2 ASN 40 2HD2 ASN 40 6.478 -10.788 -5.060 319 2HD2 ASN 40 1HD2 ASN 40 6.955 -12.346 -4.385 320 H GLN 41 H GLN 41 7.580 -7.374 -7.984 321 HA GLN 41 HA GLN 41 5.890 -5.978 -7.820 322 1HB GLN 41 2HB GLN 41 5.730 -8.060 -9.582 323 2HB GLN 41 3HB GLN 41 4.087 -8.040 -8.972 324 1HG GLN 41 2HG GLN 41 3.719 -5.846 -9.844 325 2HG GLN 41 3HG GLN 41 5.411 -5.396 -9.747 326 1HE2 GLN 41 2HE2 GLN 41 6.985 -6.433 -11.165 327 2HE2 GLN 41 1HE2 GLN 41 6.416 -6.492 -12.852 328 H GLU 42 H GLU 42 5.888 -5.713 -5.580 329 HA GLU 42 HA GLU 42 3.354 -6.533 -4.293 330 1HB GLU 42 2HB GLU 42 5.187 -8.229 -3.918 331 2HB GLU 42 3HB GLU 42 6.082 -7.017 -3.008 332 1HG GLU 42 2HG GLU 42 4.708 -7.166 -1.168 333 2HG GLU 42 3HG GLU 42 3.244 -7.330 -2.137 334 H ALA 43 H ALA 43 2.638 -5.104 -2.776 335 HA ALA 43 HA ALA 43 4.225 -2.636 -2.280 336 1HB ALA 43 1HB ALA 43 2.048 -1.428 -2.271 337 2HB ALA 43 2HB ALA 43 2.472 -2.109 -3.857 338 3HB ALA 43 3HB ALA 43 1.264 -2.907 -2.850 339 H THR 44 H THR 44 4.004 -1.709 -0.316 340 HA THR 44 HA THR 44 3.034 -3.262 2.030 341 HB THR 44 HB THR 44 5.592 -1.591 1.609 342 HG1 THR 44 1HG THR 44 5.896 -3.482 0.537 343 1HG2 THR 44 1HG2 THR 44 4.738 -3.430 3.857 344 2HG2 THR 44 2HG2 THR 44 6.251 -2.507 3.798 345 3HG2 THR 44 3HG2 THR 44 4.709 -1.651 3.960 346 H ILE 45 H ILE 45 1.503 -1.960 2.998 347 HA ILE 45 HA ILE 45 1.945 1.029 2.905 348 HB ILE 45 HB ILE 45 -0.594 -0.577 2.613 349 1HG1 ILE 45 2HG1 ILE 45 0.823 0.079 0.565 350 2HG1 ILE 45 3HG1 ILE 45 -0.911 0.401 0.559 351 1HG2 ILE 45 1HG2 ILE 45 -1.191 1.022 4.248 352 2HG2 ILE 45 2HG2 ILE 45 -0.283 2.313 3.432 353 3HG2 ILE 45 3HG2 ILE 45 -1.745 1.618 2.680 354 1HD1 ILE 45 1HD1 ILE 45 1.074 2.534 1.405 355 2HD1 ILE 45 2HD1 ILE 45 0.560 2.291 -0.283 356 3HD1 ILE 45 3HD1 ILE 45 -0.626 2.706 0.970 357 H VAL 46 H VAL 46 2.461 1.768 4.891 358 HA VAL 46 HA VAL 46 1.723 0.012 7.199 359 HB VAL 46 HB VAL 46 3.987 1.996 7.161 360 1HG1 VAL 46 1HG1 VAL 46 3.392 -0.525 8.756 361 2HG1 VAL 46 2HG1 VAL 46 4.809 0.517 8.951 362 3HG1 VAL 46 3HG1 VAL 46 3.190 1.134 9.352 363 1HG2 VAL 46 1HG2 VAL 46 3.924 -0.920 6.312 364 2HG2 VAL 46 2HG2 VAL 46 4.489 0.455 5.332 365 3HG2 VAL 46 3HG2 VAL 46 5.418 -0.069 6.747 366 H TYR 47 H TYR 47 -0.172 0.741 7.951 367 HA TYR 47 HA TYR 47 -0.540 3.683 8.220 368 1HB TYR 47 2HB TYR 47 -2.645 3.605 7.250 369 2HB TYR 47 3HB TYR 47 -1.692 2.601 6.190 370 HD1 TYR 47 1HD TYR 47 -4.381 2.710 8.717 371 HD2 TYR 47 2HD TYR 47 -1.990 0.069 6.287 372 HE1 TYR 47 1HE TYR 47 -5.803 0.822 9.375 373 HE2 TYR 47 2HE TYR 47 -3.482 -1.815 6.892 374 HH TYR 47 HH TYR 47 -6.054 -1.460 9.350 375 H GLN 48 H GLN 48 -2.245 4.351 9.648 376 HA GLN 48 HA GLN 48 -1.944 2.791 12.133 377 1HB GLN 48 2HB GLN 48 -1.194 5.184 11.892 378 2HB GLN 48 3HB GLN 48 -2.897 5.642 11.864 379 1HG GLN 48 2HG GLN 48 -3.225 4.395 14.065 380 2HG GLN 48 3HG GLN 48 -1.500 4.034 14.083 381 1HE2 GLN 48 2HE2 GLN 48 -3.751 6.846 13.893 382 2HE2 GLN 48 1HE2 GLN 48 -2.758 7.862 14.926 383 HA PRO 49 HA PRO 49 -6.278 1.654 11.435 384 1HB PRO 49 2HB PRO 49 -6.631 -0.151 13.443 385 2HB PRO 49 3HB PRO 49 -5.588 -0.480 12.032 386 1HG PRO 49 2HG PRO 49 -4.708 0.593 14.731 387 2HG PRO 49 3HG PRO 49 -4.071 -0.843 13.876 388 1HD PRO 49 2HD PRO 49 -2.817 1.501 13.653 389 2HD PRO 49 3HD PRO 49 -3.054 0.524 12.194 390 H HIS 50 H HIS 50 -6.611 3.909 11.930 391 HA HIS 50 HA HIS 50 -8.863 4.228 13.574 392 1HB HIS 50 2HB HIS 50 -6.264 5.216 14.791 393 2HB HIS 50 3HB HIS 50 -7.689 6.244 14.923 394 HD1 HIS 50 1HD HIS 50 -6.133 4.408 17.291 395 HD2 HIS 50 2HD HIS 50 -9.987 4.198 15.616 396 HE1 HIS 50 1HE HIS 50 -7.651 3.359 19.056 397 H LEU 51 H LEU 51 -6.054 5.834 12.054 398 HA LEU 51 HA LEU 51 -7.608 8.202 11.353 399 1HB LEU 51 2HB LEU 51 -4.927 7.259 10.493 400 2HB LEU 51 3HB LEU 51 -5.596 8.837 10.074 401 HG LEU 51 HG LEU 51 -5.194 7.912 12.956 402 1HD1 LEU 51 1HD1 LEU 51 -2.997 8.125 11.845 403 2HD1 LEU 51 2HD1 LEU 51 -3.437 9.760 11.284 404 3HD1 LEU 51 3HD1 LEU 51 -3.241 9.429 13.014 405 1HD2 LEU 51 1HD2 LEU 51 -5.836 10.636 11.758 406 2HD2 LEU 51 2HD2 LEU 51 -6.882 9.662 12.819 407 3HD2 LEU 51 3HD2 LEU 51 -5.391 10.354 13.453 408 H ILE 52 H ILE 52 -6.307 5.347 9.583 409 HA ILE 52 HA ILE 52 -8.357 5.671 7.536 410 HB ILE 52 HB ILE 52 -5.843 6.761 7.199 411 1HG1 ILE 52 2HG1 ILE 52 -6.267 6.260 4.696 412 2HG1 ILE 52 3HG1 ILE 52 -7.759 5.514 5.339 413 1HG2 ILE 52 1HG2 ILE 52 -5.570 4.021 5.923 414 2HG2 ILE 52 2HG2 ILE 52 -4.411 5.370 5.926 415 3HG2 ILE 52 3HG2 ILE 52 -4.754 4.540 7.443 416 1HD1 ILE 52 1HD1 ILE 52 -6.854 8.405 5.747 417 2HD1 ILE 52 2HD1 ILE 52 -8.109 7.890 4.622 418 3HD1 ILE 52 3HD1 ILE 52 -8.365 7.713 6.370 419 H SER 53 H SER 53 -8.130 3.549 6.031 420 HA SER 53 HA SER 53 -7.539 1.173 7.718 421 1HB SER 53 2HB SER 53 -9.777 0.292 7.049 422 2HB SER 53 3HB SER 53 -9.887 1.738 8.068 423 HG SER 53 HG SER 53 -11.254 1.999 6.294 424 H VAL 54 H VAL 54 -7.354 -0.801 6.457 425 HA VAL 54 HA VAL 54 -5.903 -0.831 4.146 426 HB VAL 54 HB VAL 54 -8.001 -2.787 5.107 427 1HG1 VAL 54 1HG1 VAL 54 -6.225 -2.945 2.650 428 2HG1 VAL 54 2HG1 VAL 54 -6.920 -4.394 3.421 429 3HG1 VAL 54 3HG1 VAL 54 -7.987 -3.179 2.723 430 1HG2 VAL 54 1HG2 VAL 54 -5.847 -2.655 6.383 431 2HG2 VAL 54 2HG2 VAL 54 -6.087 -4.225 5.605 432 3HG2 VAL 54 3HG2 VAL 54 -4.967 -3.069 4.894 433 H GLU 55 H GLU 55 -9.503 -0.722 4.306 434 HA GLU 55 HA GLU 55 -9.872 -1.054 1.518 435 1HB GLU 55 2HB GLU 55 -11.634 -1.402 3.163 436 2HB GLU 55 3HB GLU 55 -11.627 0.341 3.495 437 1HG GLU 55 2HG GLU 55 -13.225 0.516 1.882 438 2HG GLU 55 3HG GLU 55 -11.982 0.051 0.712 439 H GLU 56 H GLU 56 -9.198 1.918 3.411 440 HA GLU 56 HA GLU 56 -9.897 3.760 1.306 441 1HB GLU 56 2HB GLU 56 -9.247 3.971 4.015 442 2HB GLU 56 3HB GLU 56 -7.759 4.508 3.257 443 1HG GLU 56 2HG GLU 56 -10.498 5.626 2.501 444 2HG GLU 56 3HG GLU 56 -9.504 6.278 3.800 445 H MET 57 H MET 57 -6.885 2.231 2.555 446 HA MET 57 HA MET 57 -5.104 3.215 0.753 447 1HB MET 57 2HB MET 57 -4.959 0.530 1.982 448 2HB MET 57 3HB MET 57 -3.679 1.523 1.310 449 1HG MET 57 2HG MET 57 -5.328 2.051 3.741 450 2HG MET 57 3HG MET 57 -3.623 1.794 3.704 451 1HE MET 57 1HE MET 57 -1.892 3.857 2.847 452 2HE MET 57 2HE MET 57 -2.803 3.867 1.309 453 3HE MET 57 3HE MET 57 -2.525 5.372 2.215 454 H LYS 58 H LYS 58 -6.686 -0.042 0.487 455 HA LYS 58 HA LYS 58 -5.819 -0.559 -2.162 456 1HB LYS 58 2HB LYS 58 -6.459 -2.403 -1.374 457 2HB LYS 58 3HB LYS 58 -7.797 -1.776 -0.306 458 1HG LYS 58 2HG LYS 58 -9.158 -1.637 -2.467 459 2HG LYS 58 3HG LYS 58 -7.825 -2.475 -3.286 460 1HD LYS 58 2HD LYS 58 -8.174 -4.397 -1.663 461 2HD LYS 58 3HD LYS 58 -9.467 -3.458 -0.900 462 1HE LYS 58 2HE LYS 58 -10.687 -4.846 -2.341 463 2HE LYS 58 3HE LYS 58 -10.549 -3.349 -3.263 464 1HZ LYS 58 1HZ LYS 58 -9.375 -5.931 -3.845 465 2HZ LYS 58 2HZ LYS 58 -9.757 -4.668 -4.868 466 3HZ LYS 58 3HZ LYS 58 -8.388 -4.640 -4.117 467 H LYS 59 H LYS 59 -8.997 0.759 -1.105 468 HA LYS 59 HA LYS 59 -10.102 0.834 -3.668 469 1HB LYS 59 2HB LYS 59 -11.128 1.224 -1.397 470 2HB LYS 59 3HB LYS 59 -10.674 2.909 -1.535 471 1HG LYS 59 2HG LYS 59 -12.377 1.374 -3.566 472 2HG LYS 59 3HG LYS 59 -13.049 2.158 -2.132 473 1HD LYS 59 2HD LYS 59 -12.218 4.344 -2.851 474 2HD LYS 59 3HD LYS 59 -11.517 3.625 -4.320 475 1HE LYS 59 2HE LYS 59 -13.747 2.850 -5.053 476 2HE LYS 59 3HE LYS 59 -14.486 3.493 -3.576 477 1HZ LYS 59 1HZ LYS 59 -13.140 5.111 -5.636 478 2HZ LYS 59 2HZ LYS 59 -14.767 4.952 -5.450 479 3HZ LYS 59 3HZ LYS 59 -13.879 5.687 -4.278 480 H GLN 60 H GLN 60 -8.135 3.287 -1.923 481 HA GLN 60 HA GLN 60 -8.126 5.142 -4.165 482 1HB GLN 60 2HB GLN 60 -6.240 4.752 -1.857 483 2HB GLN 60 3HB GLN 60 -6.114 6.085 -2.995 484 1HG GLN 60 2HG GLN 60 -7.599 6.052 -0.608 485 2HG GLN 60 3HG GLN 60 -7.546 7.322 -1.808 486 1HE2 GLN 60 2HE2 GLN 60 -9.240 7.421 -3.463 487 2HE2 GLN 60 1HE2 GLN 60 -10.799 6.705 -3.080 488 H ILE 61 H ILE 61 -5.882 2.459 -3.269 489 HA ILE 61 HA ILE 61 -4.007 3.115 -5.370 490 HB ILE 61 HB ILE 61 -4.313 0.670 -3.649 491 1HG1 ILE 61 2HG1 ILE 61 -2.349 2.999 -3.743 492 2HG1 ILE 61 3HG1 ILE 61 -3.686 2.953 -2.650 493 1HG2 ILE 61 1HG2 ILE 61 -3.055 -0.344 -5.271 494 2HG2 ILE 61 2HG2 ILE 61 -2.686 1.176 -6.105 495 3HG2 ILE 61 3HG2 ILE 61 -1.724 0.683 -4.728 496 1HD1 ILE 61 1HD1 ILE 61 -1.409 0.962 -2.632 497 2HD1 ILE 61 2HD1 ILE 61 -1.772 2.229 -1.449 498 3HD1 ILE 61 3HD1 ILE 61 -2.884 0.856 -1.642 499 H GLU 62 H GLU 62 -6.252 0.195 -5.111 500 HA GLU 62 HA GLU 62 -6.090 -0.497 -7.780 501 1HB GLU 62 2HB GLU 62 -7.665 -1.145 -5.411 502 2HB GLU 62 3HB GLU 62 -8.789 -0.823 -6.697 503 1HG GLU 62 2HG GLU 62 -7.753 -2.520 -8.048 504 2HG GLU 62 3HG GLU 62 -6.341 -2.616 -6.984 505 H ALA 63 H ALA 63 -8.109 2.192 -6.408 506 HA ALA 63 HA ALA 63 -9.652 2.625 -8.725 507 1HB ALA 63 1HB ALA 63 -8.489 4.594 -6.744 508 2HB ALA 63 2HB ALA 63 -9.657 5.043 -8.004 509 3HB ALA 63 3HB ALA 63 -10.137 3.890 -6.754 510 H MET 64 H MET 64 -6.191 3.368 -8.226 511 HA MET 64 HA MET 64 -5.754 5.136 -10.395 512 1HB MET 64 2HB MET 64 -4.053 2.895 -9.290 513 2HB MET 64 3HB MET 64 -3.525 4.115 -10.439 514 1HG MET 64 2HG MET 64 -4.491 4.757 -7.624 515 2HG MET 64 3HG MET 64 -2.829 4.512 -8.150 516 1HE MET 64 1HE MET 64 -2.230 8.154 -7.765 517 2HE MET 64 2HE MET 64 -2.894 6.936 -6.640 518 3HE MET 64 3HE MET 64 -1.535 6.530 -7.719 519 H GLY 65 H GLY 65 -6.053 1.557 -10.212 520 1HA GLY 65 1HA GLY 65 -7.272 0.754 -12.324 521 2HA GLY 65 2HA GLY 65 -5.809 1.283 -13.175 522 H PHE 66 H PHE 66 -4.227 0.503 -10.637 523 HA PHE 66 HA PHE 66 -3.321 -1.961 -11.762 524 1HB PHE 66 2HB PHE 66 -2.662 -0.586 -9.154 525 2HB PHE 66 3HB PHE 66 -1.666 -1.829 -9.938 526 HD1 PHE 66 1HD PHE 66 -0.784 -1.240 -12.370 527 HD2 PHE 66 2HD PHE 66 -2.287 1.663 -9.565 528 HE1 PHE 66 1HE PHE 66 0.206 0.597 -13.723 529 HE2 PHE 66 2HE PHE 66 -1.310 3.493 -10.930 530 HZ PHE 66 HZ PHE 66 -0.154 2.961 -13.051 531 HA PRO 67 HA PRO 67 -6.232 -4.262 -9.050 532 1HB PRO 67 2HB PRO 67 -5.717 -6.818 -9.878 533 2HB PRO 67 3HB PRO 67 -6.692 -5.663 -10.831 534 1HG PRO 67 2HG PRO 67 -3.753 -6.315 -11.149 535 2HG PRO 67 3HG PRO 67 -4.993 -6.254 -12.433 536 1HD PRO 67 2HD PRO 67 -3.312 -4.175 -11.918 537 2HD PRO 67 3HD PRO 67 -5.009 -3.878 -12.408 538 H ALA 68 H ALA 68 -5.839 -5.061 -6.960 539 HA ALA 68 HA ALA 68 -3.079 -5.945 -6.346 540 1HB ALA 68 1HB ALA 68 -4.667 -3.877 -4.787 541 2HB ALA 68 2HB ALA 68 -3.071 -4.568 -4.386 542 3HB ALA 68 3HB ALA 68 -3.270 -3.543 -5.832 543 H PHE 69 H PHE 69 -2.873 -7.512 -4.806 544 HA PHE 69 HA PHE 69 -5.371 -8.634 -3.573 545 1HB PHE 69 2HB PHE 69 -2.891 -9.832 -4.667 546 2HB PHE 69 3HB PHE 69 -3.844 -10.675 -3.460 547 HD1 PHE 69 1HD PHE 69 -5.403 -12.238 -4.257 548 HD2 PHE 69 2HD PHE 69 -4.297 -8.918 -6.793 549 HE1 PHE 69 1HE PHE 69 -6.809 -13.144 -6.077 550 HE2 PHE 69 2HE PHE 69 -5.785 -9.782 -8.561 551 HZ PHE 69 HZ PHE 69 -7.032 -11.906 -8.219 552 H VAL 70 H VAL 70 -5.047 -6.866 -2.053 553 HA VAL 70 HA VAL 70 -2.953 -6.849 -0.068 554 HB VAL 70 HB VAL 70 -4.115 -4.921 -0.138 555 1HG1 VAL 70 1HG1 VAL 70 -6.100 -5.485 -1.244 556 2HG1 VAL 70 2HG1 VAL 70 -6.681 -6.475 0.117 557 3HG1 VAL 70 3HG1 VAL 70 -6.518 -4.711 0.295 558 1HG2 VAL 70 1HG2 VAL 70 -5.243 -6.338 2.302 559 2HG2 VAL 70 2HG2 VAL 70 -3.527 -5.903 2.132 560 3HG2 VAL 70 3HG2 VAL 70 -4.765 -4.641 2.123 561 H LYS 71 H LYS 71 -2.476 -8.832 1.006 562 HA LYS 71 HA LYS 71 -4.679 -10.059 2.487 563 1HB LYS 71 2HB LYS 71 -4.429 -12.232 1.611 564 2HB LYS 71 3HB LYS 71 -5.010 -11.104 0.380 565 1HG LYS 71 2HG LYS 71 -2.629 -10.858 -0.364 566 2HG LYS 71 3HG LYS 71 -2.210 -12.164 0.733 567 1HD LYS 71 2HD LYS 71 -4.232 -13.434 -0.546 568 2HD LYS 71 3HD LYS 71 -3.894 -12.237 -1.786 569 1HE LYS 71 2HE LYS 71 -2.612 -14.127 -2.420 570 2HE LYS 71 3HE LYS 71 -1.437 -13.019 -1.702 571 1HZ LYS 71 1HZ LYS 71 -2.706 -15.341 -0.385 572 2HZ LYS 71 2HZ LYS 71 -1.148 -15.256 -0.891 573 3HZ LYS 71 3HZ LYS 71 -1.663 -14.315 0.362 574 H LYS 72 H LYS 72 -2.753 -8.718 3.721 575 HA LYS 72 HA LYS 72 -1.570 -10.761 5.396 576 1HB LYS 72 2HB LYS 72 0.095 -8.797 3.806 577 2HB LYS 72 3HB LYS 72 0.680 -9.477 5.311 578 1HG LYS 72 2HG LYS 72 -0.098 -11.736 3.761 579 2HG LYS 72 3HG LYS 72 0.677 -10.637 2.621 580 1HD LYS 72 2HD LYS 72 2.398 -12.043 3.502 581 2HD LYS 72 3HD LYS 72 2.583 -10.516 4.392 582 1HE LYS 72 2HE LYS 72 1.111 -11.500 6.218 583 2HE LYS 72 3HE LYS 72 1.109 -13.048 5.365 584 1HZ LYS 72 1HZ LYS 72 3.542 -11.638 6.190 585 2HZ LYS 72 2HZ LYS 72 2.750 -12.481 7.241 586 3HZ LYS 72 3HZ LYS 72 3.407 -13.288 5.912 587 H ILE 73 H ILE 73 -0.702 -9.676 7.357 588 HA ILE 73 HA ILE 73 -1.579 -6.948 7.907 589 HB ILE 73 HB ILE 73 -3.653 -8.291 7.999 590 1HG1 ILE 73 2HG1 ILE 73 -4.347 -7.811 10.382 591 2HG1 ILE 73 3HG1 ILE 73 -2.720 -7.191 10.672 592 1HG2 ILE 73 1HG2 ILE 73 -4.095 -10.056 9.478 593 2HG2 ILE 73 2HG2 ILE 73 -2.597 -10.490 8.655 594 3HG2 ILE 73 3HG2 ILE 73 -2.559 -9.893 10.325 595 1HD1 ILE 73 1HD1 ILE 73 -4.683 -6.192 8.555 596 2HD1 ILE 73 2HD1 ILE 73 -4.320 -5.400 10.099 597 3HD1 ILE 73 3HD1 ILE 73 -3.067 -5.511 8.852 598 H GLU 74 H GLU 74 0.892 -7.235 7.952 599 HA GLU 74 HA GLU 74 1.884 -8.554 10.436 600 1HB GLU 74 2HB GLU 74 3.154 -7.670 7.894 601 2HB GLU 74 3HB GLU 74 4.030 -7.181 9.342 602 1HG GLU 74 2HG GLU 74 5.015 -9.167 8.943 603 2HG GLU 74 3HG GLU 74 3.795 -9.670 10.108 604 H GLY 75 H GLY 75 3.583 -7.043 11.598 605 1HA GLY 75 1HA GLY 75 2.685 -4.231 11.796 606 2HA GLY 75 2HA GLY 75 2.757 -5.217 13.272 607 H ARG 76 H ARG 76 4.389 -2.935 12.577 608 HA ARG 76 HA ARG 76 6.495 -2.343 13.320 609 1HB ARG 76 2HB ARG 76 6.716 -4.824 14.146 610 2HB ARG 76 3HB ARG 76 7.711 -5.041 12.709 611 1HG ARG 76 2HG ARG 76 8.322 -2.758 14.623 612 2HG ARG 76 3HG ARG 76 8.615 -4.422 15.136 613 1HD ARG 76 2HD ARG 76 9.967 -4.727 12.980 614 2HD ARG 76 3HD ARG 76 9.922 -2.955 12.842 615 HE ARG 76 HE ARG 76 10.738 -3.716 15.478 616 1HH1 ARG 76 1HH2 ARG 76 11.933 -3.610 12.179 617 2HH1 ARG 76 2HH2 ARG 76 13.622 -3.614 12.598 618 1HH2 ARG 76 1HH1 ARG 76 12.960 -3.749 16.107 619 2HH2 ARG 76 2HH1 ARG 76 14.213 -3.684 14.913 Start of MODEL 16 1 1H GLY 1 1H GLY 1 0.608 4.384 16.703 2 2H GLY 1 2H GLY 1 0.908 3.970 18.298 3 3H GLY 1 3H GLY 1 2.134 4.043 17.177 4 1HA GLY 1 1HA GLY 1 1.687 1.766 17.363 5 2HA GLY 1 2HA GLY 1 -0.060 2.103 17.261 6 H GLU 2 H GLU 2 1.372 0.347 15.350 7 HA GLU 2 HA GLU 2 0.492 1.569 12.930 8 1HB GLU 2 2HB GLU 2 2.630 1.567 11.764 9 2HB GLU 2 3HB GLU 2 2.693 2.657 13.151 10 1HG GLU 2 2HG GLU 2 4.644 1.672 13.633 11 2HG GLU 2 3HG GLU 2 3.695 0.321 14.265 12 H VAL 3 H VAL 3 0.584 -0.029 11.172 13 HA VAL 3 HA VAL 3 1.200 -2.815 11.889 14 HB VAL 3 HB VAL 3 -1.508 -1.735 10.993 15 1HG1 VAL 3 1HG1 VAL 3 -1.099 -3.664 9.608 16 2HG1 VAL 3 2HG1 VAL 3 -0.622 -4.626 11.033 17 3HG1 VAL 3 3HG1 VAL 3 -2.289 -4.067 10.844 18 1HG2 VAL 3 1HG2 VAL 3 -1.263 -1.781 13.439 19 2HG2 VAL 3 2HG2 VAL 3 -2.314 -3.123 12.962 20 3HG2 VAL 3 3HG2 VAL 3 -0.623 -3.436 13.376 21 H VAL 4 H VAL 4 1.640 -4.058 10.028 22 HA VAL 4 HA VAL 4 2.332 -2.516 7.599 23 HB VAL 4 HB VAL 4 3.695 -4.487 9.098 24 1HG1 VAL 4 1HG1 VAL 4 2.908 -5.574 6.375 25 2HG1 VAL 4 2HG1 VAL 4 4.104 -6.268 7.492 26 3HG1 VAL 4 3HG1 VAL 4 2.394 -6.250 7.942 27 1HG2 VAL 4 1HG2 VAL 4 5.384 -4.226 7.321 28 2HG2 VAL 4 2HG2 VAL 4 4.181 -3.396 6.309 29 3HG2 VAL 4 3HG2 VAL 4 4.712 -2.679 7.856 30 H LEU 5 H LEU 5 1.296 -2.902 5.623 31 HA LEU 5 HA LEU 5 -0.638 -5.122 5.538 32 1HB LEU 5 2HB LEU 5 -1.639 -2.842 5.866 33 2HB LEU 5 3HB LEU 5 -0.880 -2.302 4.378 34 HG LEU 5 HG LEU 5 -3.258 -2.878 4.156 35 1HD1 LEU 5 1HD1 LEU 5 -1.771 -4.939 2.522 36 2HD1 LEU 5 2HD1 LEU 5 -3.046 -3.811 2.036 37 3HD1 LEU 5 3HD1 LEU 5 -1.406 -3.213 2.342 38 1HD2 LEU 5 1HD2 LEU 5 -4.144 -5.058 4.513 39 2HD2 LEU 5 2HD2 LEU 5 -2.534 -5.806 4.570 40 3HD2 LEU 5 3HD2 LEU 5 -3.084 -4.765 5.895 41 H LYS 6 H LYS 6 0.007 -6.541 3.958 42 HA LYS 6 HA LYS 6 1.821 -5.533 1.800 43 1HB LYS 6 2HB LYS 6 2.846 -7.114 3.367 44 2HB LYS 6 3HB LYS 6 1.630 -8.286 2.834 45 1HG LYS 6 2HG LYS 6 3.504 -6.998 0.861 46 2HG LYS 6 3HG LYS 6 3.915 -8.449 1.792 47 1HD LYS 6 2HD LYS 6 1.609 -9.397 0.935 48 2HD LYS 6 3HD LYS 6 1.704 -8.100 -0.239 49 1HE LYS 6 2HE LYS 6 2.721 -9.587 -1.519 50 2HE LYS 6 3HE LYS 6 4.121 -8.884 -0.664 51 1HZ LYS 6 1HZ LYS 6 2.845 -11.493 -0.191 52 2HZ LYS 6 2HZ LYS 6 4.330 -11.129 -0.812 53 3HZ LYS 6 3HZ LYS 6 4.036 -10.854 0.783 54 H MET 7 H MET 7 1.018 -5.478 -0.069 55 HA MET 7 HA MET 7 -1.266 -7.117 -0.890 56 1HB MET 7 2HB MET 7 -1.462 -5.065 -2.561 57 2HB MET 7 3HB MET 7 -2.266 -5.075 -0.983 58 1HG MET 7 2HG MET 7 -0.578 -3.712 0.013 59 2HG MET 7 3HG MET 7 0.372 -3.773 -1.479 60 1HE MET 7 1HE MET 7 -2.382 -2.006 0.514 61 2HE MET 7 2HE MET 7 -3.358 -1.200 -0.723 62 3HE MET 7 3HE MET 7 -3.409 -2.960 -0.590 63 H LYS 8 H LYS 8 -0.812 -8.444 -2.513 64 HA LYS 8 HA LYS 8 1.737 -8.285 -4.034 65 1HB LYS 8 2HB LYS 8 1.360 -10.460 -3.828 66 2HB LYS 8 3HB LYS 8 -0.349 -10.255 -3.511 67 1HG LYS 8 2HG LYS 8 0.186 -11.695 -5.438 68 2HG LYS 8 3HG LYS 8 -0.952 -10.388 -5.796 69 1HD LYS 8 2HD LYS 8 0.440 -9.257 -7.047 70 2HD LYS 8 3HD LYS 8 1.947 -9.830 -6.270 71 1HE LYS 8 2HE LYS 8 1.542 -12.012 -7.542 72 2HE LYS 8 3HE LYS 8 0.140 -11.218 -8.303 73 1HZ LYS 8 1HZ LYS 8 2.959 -10.397 -8.503 74 2HZ LYS 8 2HZ LYS 8 1.983 -10.914 -9.738 75 3HZ LYS 8 3HZ LYS 8 1.721 -9.458 -8.993 76 H VAL 9 H VAL 9 1.840 -7.389 -6.142 77 HA VAL 9 HA VAL 9 -0.696 -6.245 -7.246 78 HB VAL 9 HB VAL 9 0.732 -4.408 -8.132 79 1HG1 VAL 9 1HG1 VAL 9 0.667 -3.067 -6.046 80 2HG1 VAL 9 2HG1 VAL 9 -0.801 -4.033 -6.267 81 3HG1 VAL 9 3HG1 VAL 9 0.437 -4.554 -5.102 82 1HG2 VAL 9 1HG2 VAL 9 2.972 -5.400 -7.778 83 2HG2 VAL 9 2HG2 VAL 9 2.819 -3.802 -7.040 84 3HG2 VAL 9 3HG2 VAL 9 2.740 -5.239 -6.017 85 H GLU 10 H GLU 10 -0.752 -6.087 -9.545 86 HA GLU 10 HA GLU 10 1.275 -7.815 -10.940 87 1HB GLU 10 2HB GLU 10 -1.654 -7.491 -11.603 88 2HB GLU 10 3HB GLU 10 -0.464 -8.355 -12.575 89 1HG GLU 10 2HG GLU 10 -1.490 -10.058 -11.373 90 2HG GLU 10 3HG GLU 10 -0.088 -9.640 -10.386 91 H GLY 11 H GLY 11 2.001 -7.184 -12.955 92 1HA GLY 11 1HA GLY 11 2.200 -5.904 -14.874 93 2HA GLY 11 2HA GLY 11 0.908 -4.832 -14.319 94 H MET 12 H MET 12 2.044 -4.098 -11.804 95 HA MET 12 HA MET 12 3.702 -1.916 -12.458 96 1HB MET 12 2HB MET 12 3.291 -3.381 -9.823 97 2HB MET 12 3HB MET 12 4.160 -1.842 -10.034 98 1HG MET 12 2HG MET 12 2.174 -0.729 -10.821 99 2HG MET 12 3HG MET 12 1.272 -2.240 -10.927 100 1HE MET 12 1HE MET 12 3.577 -1.576 -7.781 101 2HE MET 12 2HE MET 12 3.193 0.056 -8.383 102 3HE MET 12 3HE MET 12 2.511 -0.519 -6.837 103 H THR 13 H THR 13 5.395 -2.687 -13.776 104 HA THR 13 HA THR 13 7.743 -3.746 -12.301 105 HB THR 13 HB THR 13 6.770 -4.597 -15.037 106 HG1 THR 13 1HG THR 13 6.292 -5.475 -12.439 107 1HG2 THR 13 1HG2 THR 13 8.959 -5.630 -13.191 108 2HG2 THR 13 2HG2 THR 13 8.363 -6.487 -14.636 109 3HG2 THR 13 3HG2 THR 13 9.179 -4.927 -14.812 110 H CYS 14 HN CYS 14 7.312 -1.039 -12.516 111 HA CYS 14 HA CYS 14 9.830 -0.434 -13.676 112 1HB CYS 14 2HB CYS 14 9.231 1.386 -15.094 113 2HB CYS 14 3HB CYS 14 8.315 -0.007 -15.658 114 H HIS 15 H HIS 15 10.514 1.703 -12.817 115 HA HIS 15 HA HIS 15 9.602 1.967 -10.104 116 1HB HIS 15 2HB HIS 15 11.854 2.938 -11.700 117 2HB HIS 15 3HB HIS 15 11.178 4.236 -10.724 118 HD1 HIS 15 1HD HIS 15 13.588 1.501 -10.367 119 HD2 HIS 15 2HD HIS 15 10.706 3.419 -7.971 120 HE1 HIS 15 1HE HIS 15 14.182 0.975 -7.940 121 H SER 16 H SER 16 8.660 3.543 -13.104 122 HA SER 16 HA SER 16 7.752 5.976 -12.084 123 1HB SER 16 2HB SER 16 6.474 4.391 -14.345 124 2HB SER 16 3HB SER 16 6.439 6.141 -14.086 125 HG SER 16 HG SER 16 8.089 5.447 -15.583 126 H CYS 17 HN CYS 17 5.841 2.901 -12.524 127 HA CYS 17 HA CYS 17 3.453 3.890 -11.416 128 1HB CYS 17 2HB CYS 17 4.510 1.033 -11.239 129 2HB CYS 17 3HB CYS 17 2.844 1.586 -11.044 130 H THR 18 H THR 18 6.063 2.005 -9.797 131 HA THR 18 HA THR 18 4.871 1.945 -7.276 132 HB THR 18 HB THR 18 7.092 1.362 -6.421 133 HG1 THR 18 1HG THR 18 8.860 1.440 -7.810 134 1HG2 THR 18 1HG2 THR 18 6.817 0.112 -9.194 135 2HG2 THR 18 2HG2 THR 18 7.444 -0.604 -7.696 136 3HG2 THR 18 3HG2 THR 18 5.713 -0.288 -7.871 137 H SER 19 H SER 19 7.398 4.193 -8.460 138 HA SER 19 HA SER 19 7.439 5.854 -6.148 139 1HB SER 19 2HB SER 19 9.155 5.755 -7.972 140 2HB SER 19 3HB SER 19 8.041 6.635 -9.039 141 HG SER 19 HG SER 19 9.607 7.955 -7.876 142 H THR 20 H THR 20 5.352 6.072 -9.103 143 HA THR 20 HA THR 20 4.165 8.581 -8.408 144 HB THR 20 HB THR 20 3.092 6.233 -10.030 145 HG1 THR 20 1HG THR 20 4.878 7.198 -10.912 146 1HG2 THR 20 1HG2 THR 20 2.049 9.090 -9.809 147 2HG2 THR 20 2HG2 THR 20 1.559 7.906 -11.038 148 3HG2 THR 20 3HG2 THR 20 1.174 7.609 -9.338 149 H ILE 21 H ILE 21 3.206 5.164 -7.620 150 HA ILE 21 HA ILE 21 0.890 5.810 -6.115 151 HB ILE 21 HB ILE 21 2.810 3.496 -6.474 152 1HG1 ILE 21 2HG1 ILE 21 -0.196 3.560 -6.808 153 2HG1 ILE 21 3HG1 ILE 21 0.875 4.203 -8.050 154 1HG2 ILE 21 1HG2 ILE 21 1.448 2.137 -5.032 155 2HG2 ILE 21 2HG2 ILE 21 2.248 3.442 -4.148 156 3HG2 ILE 21 3HG2 ILE 21 0.508 3.586 -4.553 157 1HD1 ILE 21 1HD1 ILE 21 0.932 1.340 -7.016 158 2HD1 ILE 21 2HD1 ILE 21 0.329 1.898 -8.575 159 3HD1 ILE 21 3HD1 ILE 21 2.048 2.042 -8.215 160 H GLU 22 H GLU 22 4.312 5.185 -5.143 161 HA GLU 22 HA GLU 22 3.923 5.623 -2.424 162 1HB GLU 22 2HB GLU 22 6.199 5.220 -4.188 163 2HB GLU 22 3HB GLU 22 6.603 6.506 -3.080 164 1HG GLU 22 2HG GLU 22 5.848 5.049 -1.186 165 2HG GLU 22 3HG GLU 22 5.401 3.792 -2.360 166 H GLY 23 H GLY 23 4.746 8.021 -4.912 167 1HA GLY 23 1HA GLY 23 4.813 10.341 -3.336 168 2HA GLY 23 2HA GLY 23 4.319 10.256 -5.036 169 H LYS 24 H LYS 24 1.972 8.749 -4.935 170 HA LYS 24 HA LYS 24 0.116 10.756 -4.024 171 1HB LYS 24 2HB LYS 24 -0.162 8.817 -5.899 172 2HB LYS 24 3HB LYS 24 -0.769 7.921 -4.537 173 1HG LYS 24 2HG LYS 24 -2.745 8.839 -5.041 174 2HG LYS 24 3HG LYS 24 -2.176 10.243 -4.160 175 1HD LYS 24 2HD LYS 24 -2.184 9.789 -7.187 176 2HD LYS 24 3HD LYS 24 -3.192 10.873 -6.260 177 1HE LYS 24 2HE LYS 24 -1.595 12.212 -7.377 178 2HE LYS 24 3HE LYS 24 -1.172 12.244 -5.661 179 1HZ LYS 24 1HZ LYS 24 0.128 10.552 -7.716 180 2HZ LYS 24 2HZ LYS 24 0.732 11.967 -7.144 181 3HZ LYS 24 3HZ LYS 24 0.590 10.672 -6.147 182 H ILE 25 H ILE 25 0.732 7.474 -2.868 183 HA ILE 25 HA ILE 25 -1.072 7.623 -0.710 184 HB ILE 25 HB ILE 25 1.210 5.715 -1.211 185 1HG1 ILE 25 2HG1 ILE 25 -0.508 5.739 -3.003 186 2HG1 ILE 25 3HG1 ILE 25 -0.237 4.199 -2.188 187 1HG2 ILE 25 1HG2 ILE 25 -0.052 4.152 0.296 188 2HG2 ILE 25 2HG2 ILE 25 0.700 5.522 1.128 189 3HG2 ILE 25 3HG2 ILE 25 -1.043 5.518 0.810 190 1HD1 ILE 25 1HD1 ILE 25 -2.469 6.112 -1.470 191 2HD1 ILE 25 2HD1 ILE 25 -2.634 4.733 -2.576 192 3HD1 ILE 25 3HD1 ILE 25 -2.218 4.454 -0.870 193 H GLY 26 H GLY 26 2.353 8.461 -0.920 194 1HA GLY 26 1HA GLY 26 3.105 8.872 1.692 195 2HA GLY 26 2HA GLY 26 3.482 9.963 0.348 196 H LYS 27 H LYS 27 0.592 10.717 -0.117 197 HA LYS 27 HA LYS 27 0.505 12.817 1.919 198 1HB LYS 27 2HB LYS 27 0.620 13.357 -0.409 199 2HB LYS 27 3HB LYS 27 -0.784 12.355 -0.794 200 1HG LYS 27 2HG LYS 27 -2.282 13.784 0.226 201 2HG LYS 27 3HG LYS 27 -1.013 14.696 1.081 202 1HD LYS 27 2HD LYS 27 -0.176 15.633 -0.987 203 2HD LYS 27 3HD LYS 27 -1.177 14.537 -1.964 204 1HE LYS 27 2HE LYS 27 -3.235 15.633 -1.173 205 2HE LYS 27 3HE LYS 27 -2.299 16.698 -0.111 206 1HZ LYS 27 1HZ LYS 27 -2.113 16.652 -3.055 207 2HZ LYS 27 2HZ LYS 27 -2.932 17.765 -2.168 208 3HZ LYS 27 3HZ LYS 27 -1.296 17.671 -2.052 209 H LEU 28 H LEU 28 -0.807 9.677 1.971 210 HA LEU 28 HA LEU 28 -3.556 10.309 2.573 211 1HB LEU 28 2HB LEU 28 -1.862 7.959 3.391 212 2HB LEU 28 3HB LEU 28 -3.585 8.150 3.593 213 HG LEU 28 HG LEU 28 -2.089 7.464 1.142 214 1HD1 LEU 28 1HD1 LEU 28 -3.379 5.840 2.460 215 2HD1 LEU 28 2HD1 LEU 28 -4.837 6.824 2.197 216 3HD1 LEU 28 3HD1 LEU 28 -4.054 6.014 0.822 217 1HD2 LEU 28 1HD2 LEU 28 -3.118 9.544 0.311 218 2HD2 LEU 28 2HD2 LEU 28 -3.932 8.133 -0.363 219 3HD2 LEU 28 3HD2 LEU 28 -4.697 9.027 0.960 220 H GLN 29 H GLN 29 -4.424 11.011 4.424 221 HA GLN 29 HA GLN 29 -2.752 11.666 6.679 222 1HB GLN 29 2HB GLN 29 -4.742 12.583 7.647 223 2HB GLN 29 3HB GLN 29 -4.501 13.134 5.979 224 1HG GLN 29 2HG GLN 29 -6.105 10.755 5.847 225 2HG GLN 29 3HG GLN 29 -6.770 11.716 7.162 226 1HE2 GLN 29 2HE2 GLN 29 -8.441 13.021 6.430 227 2HE2 GLN 29 1HE2 GLN 29 -8.515 13.721 4.823 228 H GLY 30 H GLY 30 -2.142 9.343 6.775 229 1HA GLY 30 1HA GLY 30 -2.844 8.317 9.340 230 2HA GLY 30 2HA GLY 30 -3.875 7.489 8.227 231 H VAL 31 H VAL 31 -0.548 8.272 7.223 232 HA VAL 31 HA VAL 31 -0.028 5.393 7.319 233 HB VAL 31 HB VAL 31 -0.433 6.725 5.113 234 1HG1 VAL 31 1HG1 VAL 31 1.048 8.674 5.694 235 2HG1 VAL 31 2HG1 VAL 31 2.455 7.598 5.550 236 3HG1 VAL 31 3HG1 VAL 31 1.430 7.913 4.141 237 1HG2 VAL 31 1HG2 VAL 31 1.150 5.410 3.875 238 2HG2 VAL 31 2HG2 VAL 31 2.111 5.113 5.340 239 3HG2 VAL 31 3HG2 VAL 31 0.458 4.458 5.205 240 H GLN 32 H GLN 32 2.141 4.726 7.592 241 HA GLN 32 HA GLN 32 3.752 6.495 9.401 242 1HB GLN 32 2HB GLN 32 3.136 3.535 9.412 243 2HB GLN 32 3HB GLN 32 4.431 4.237 10.373 244 1HG GLN 32 2HG GLN 32 1.721 5.443 10.601 245 2HG GLN 32 3HG GLN 32 2.008 3.898 11.389 246 1HE2 GLN 32 2HE2 GLN 32 1.475 5.358 13.415 247 2HE2 GLN 32 1HE2 GLN 32 2.875 6.168 14.082 248 H ARG 33 H ARG 33 3.840 3.964 6.813 249 HA ARG 33 HA ARG 33 6.181 5.069 5.554 250 1HB ARG 33 2HB ARG 33 7.013 3.637 7.687 251 2HB ARG 33 3HB ARG 33 6.604 2.293 6.622 252 1HG ARG 33 2HG ARG 33 8.112 4.075 4.999 253 2HG ARG 33 3HG ARG 33 8.858 4.230 6.564 254 1HD ARG 33 2HD ARG 33 8.373 1.375 5.713 255 2HD ARG 33 3HD ARG 33 9.376 2.314 4.634 256 HE ARG 33 HE ARG 33 11.094 2.228 6.065 257 1HH1 ARG 33 1HH2 ARG 33 8.180 1.761 7.973 258 2HH1 ARG 33 2HH2 ARG 33 8.992 1.340 9.445 259 1HH2 ARG 33 1HH1 ARG 33 12.241 1.688 7.980 260 2HH2 ARG 33 2HH1 ARG 33 11.383 1.324 9.440 261 H ILE 34 H ILE 34 6.797 3.497 3.698 262 HA ILE 34 HA ILE 34 4.683 1.783 2.847 263 HB ILE 34 HB ILE 34 3.648 3.856 2.352 264 1HG1 ILE 34 2HG1 ILE 34 5.070 3.003 -0.172 265 2HG1 ILE 34 3HG1 ILE 34 3.850 2.020 0.611 266 1HG2 ILE 34 1HG2 ILE 34 6.229 4.859 1.094 267 2HG2 ILE 34 2HG2 ILE 34 4.660 5.698 1.047 268 3HG2 ILE 34 3HG2 ILE 34 5.471 5.461 2.581 269 1HD1 ILE 34 1HD1 ILE 34 3.314 4.827 -0.429 270 2HD1 ILE 34 2HD1 ILE 34 2.840 3.317 -1.227 271 3HD1 ILE 34 3HD1 ILE 34 2.166 3.732 0.360 272 H LYS 35 H LYS 35 5.505 0.436 1.320 273 HA LYS 35 HA LYS 35 8.012 0.997 0.128 274 1HB LYS 35 2HB LYS 35 7.813 -1.008 2.315 275 2HB LYS 35 3HB LYS 35 8.692 -1.513 0.881 276 1HG LYS 35 2HG LYS 35 9.244 0.938 2.609 277 2HG LYS 35 3HG LYS 35 10.126 -0.588 2.661 278 1HD LYS 35 2HD LYS 35 10.944 -0.291 0.388 279 2HD LYS 35 3HD LYS 35 9.999 1.197 0.190 280 1HE LYS 35 2HE LYS 35 11.887 1.191 2.489 281 2HE LYS 35 3HE LYS 35 12.589 1.236 0.868 282 1HZ LYS 35 1HZ LYS 35 10.487 3.098 1.762 283 2HZ LYS 35 2HZ LYS 35 12.104 3.449 1.717 284 3HZ LYS 35 3HZ LYS 35 11.281 3.128 0.333 285 H VAL 36 H VAL 36 7.040 1.164 -1.819 286 HA VAL 36 HA VAL 36 5.478 -1.164 -2.753 287 HB VAL 36 HB VAL 36 5.977 1.521 -4.041 288 1HG1 VAL 36 1HG1 VAL 36 4.053 0.858 -5.461 289 2HG1 VAL 36 2HG1 VAL 36 5.402 -0.281 -5.671 290 3HG1 VAL 36 3HG1 VAL 36 4.009 -0.732 -4.682 291 1HG2 VAL 36 1HG2 VAL 36 3.564 0.383 -2.532 292 2HG2 VAL 36 2HG2 VAL 36 4.663 1.619 -1.905 293 3HG2 VAL 36 3HG2 VAL 36 3.667 1.972 -3.316 294 H SER 37 H SER 37 6.514 -2.891 -3.737 295 HA SER 37 HA SER 37 9.240 -2.510 -4.780 296 1HB SER 37 2HB SER 37 7.773 -5.073 -4.488 297 2HB SER 37 3HB SER 37 9.516 -4.793 -4.485 298 HG SER 37 HG SER 37 8.520 -5.191 -2.366 299 H LEU 38 H LEU 38 9.596 -4.015 -6.766 300 HA LEU 38 HA LEU 38 7.329 -4.001 -8.662 301 1HB LEU 38 2HB LEU 38 8.812 -3.185 -10.412 302 2HB LEU 38 3HB LEU 38 8.294 -1.990 -9.243 303 HG LEU 38 HG LEU 38 11.061 -3.220 -9.375 304 1HD1 LEU 38 1HD1 LEU 38 10.443 -1.749 -11.278 305 2HD1 LEU 38 2HD1 LEU 38 9.995 -0.476 -10.121 306 3HD1 LEU 38 3HD1 LEU 38 11.687 -1.005 -10.256 307 1HD2 LEU 38 1HD2 LEU 38 11.554 -1.113 -7.902 308 2HD2 LEU 38 2HD2 LEU 38 9.814 -1.138 -7.539 309 3HD2 LEU 38 3HD2 LEU 38 10.858 -2.510 -7.099 310 H ASP 39 H ASP 39 10.742 -4.993 -8.068 311 HA ASP 39 HA ASP 39 11.111 -6.908 -9.920 312 1HB ASP 39 2HB ASP 39 11.865 -7.389 -6.994 313 2HB ASP 39 3HB ASP 39 12.748 -7.837 -8.437 314 H ASN 40 H ASN 40 9.833 -7.503 -6.663 315 HA ASN 40 HA ASN 40 9.028 -10.165 -7.426 316 1HB ASN 40 2HB ASN 40 10.127 -9.428 -5.257 317 2HB ASN 40 3HB ASN 40 8.468 -9.072 -4.738 318 1HD2 ASN 40 2HD2 ASN 40 10.213 -11.034 -3.538 319 2HD2 ASN 40 1HD2 ASN 40 9.548 -12.624 -3.871 320 H GLN 41 H GLN 41 7.661 -7.415 -8.240 321 HA GLN 41 HA GLN 41 5.739 -6.353 -8.333 322 1HB GLN 41 2HB GLN 41 5.676 -8.930 -9.544 323 2HB GLN 41 3HB GLN 41 4.054 -8.661 -8.944 324 1HG GLN 41 2HG GLN 41 3.846 -6.627 -10.214 325 2HG GLN 41 3HG GLN 41 5.583 -6.595 -10.569 326 1HE2 GLN 41 2HE2 GLN 41 6.507 -8.373 -11.877 327 2HE2 GLN 41 1HE2 GLN 41 5.500 -9.058 -13.137 328 H GLU 42 H GLU 42 5.872 -5.816 -5.993 329 HA GLU 42 HA GLU 42 3.691 -6.947 -4.371 330 1HB GLU 42 2HB GLU 42 6.614 -7.560 -4.141 331 2HB GLU 42 3HB GLU 42 5.904 -6.941 -2.646 332 1HG GLU 42 2HG GLU 42 4.098 -8.574 -2.829 333 2HG GLU 42 3HG GLU 42 4.787 -9.238 -4.298 334 H ALA 43 H ALA 43 3.109 -5.596 -2.630 335 HA ALA 43 HA ALA 43 4.522 -3.006 -2.467 336 1HB ALA 43 1HB ALA 43 2.227 -1.916 -2.584 337 2HB ALA 43 2HB ALA 43 2.838 -2.627 -4.099 338 3HB ALA 43 3HB ALA 43 1.621 -3.490 -3.179 339 H THR 44 H THR 44 4.980 -2.505 -0.482 340 HA THR 44 HA THR 44 3.458 -3.564 1.834 341 HB THR 44 HB THR 44 6.043 -1.927 1.664 342 HG1 THR 44 1HG THR 44 5.539 -4.589 1.180 343 1HG2 THR 44 1HG2 THR 44 4.851 -3.733 3.833 344 2HG2 THR 44 2HG2 THR 44 6.425 -2.916 3.924 345 3HG2 THR 44 3HG2 THR 44 4.932 -1.955 3.892 346 H ILE 45 H ILE 45 2.075 -2.135 2.891 347 HA ILE 45 HA ILE 45 2.614 0.787 2.653 348 HB ILE 45 HB ILE 45 -0.157 -0.390 2.842 349 1HG1 ILE 45 2HG1 ILE 45 0.867 -1.069 0.611 350 2HG1 ILE 45 3HG1 ILE 45 -0.654 -0.178 0.600 351 1HG2 ILE 45 1HG2 ILE 45 0.908 2.385 2.151 352 2HG2 ILE 45 2HG2 ILE 45 -0.804 1.923 2.125 353 3HG2 ILE 45 3HG2 ILE 45 0.107 1.899 3.648 354 1HD1 ILE 45 1HD1 ILE 45 2.059 1.015 0.006 355 2HD1 ILE 45 2HD1 ILE 45 0.861 0.514 -1.187 356 3HD1 ILE 45 3HD1 ILE 45 0.494 1.860 -0.102 357 H VAL 46 H VAL 46 2.903 1.598 4.741 358 HA VAL 46 HA VAL 46 2.173 -0.231 7.009 359 HB VAL 46 HB VAL 46 4.416 1.785 7.074 360 1HG1 VAL 46 1HG1 VAL 46 3.580 0.946 9.219 361 2HG1 VAL 46 2HG1 VAL 46 3.808 -0.724 8.674 362 3HG1 VAL 46 3HG1 VAL 46 5.211 0.338 8.896 363 1HG2 VAL 46 1HG2 VAL 46 5.958 -0.183 6.662 364 2HG2 VAL 46 2HG2 VAL 46 4.534 -1.082 6.097 365 3HG2 VAL 46 3HG2 VAL 46 5.073 0.371 5.235 366 H TYR 47 H TYR 47 0.639 0.595 8.378 367 HA TYR 47 HA TYR 47 0.172 3.532 8.329 368 1HB TYR 47 2HB TYR 47 -2.002 3.363 7.510 369 2HB TYR 47 3HB TYR 47 -1.084 2.315 6.458 370 HD1 TYR 47 1HD TYR 47 -3.983 2.613 8.526 371 HD2 TYR 47 2HD TYR 47 -1.060 -0.311 7.277 372 HE1 TYR 47 1HE TYR 47 -5.655 0.826 8.780 373 HE2 TYR 47 2HE TYR 47 -2.694 -2.114 7.751 374 HH TYR 47 HH TYR 47 -6.048 -1.430 8.769 375 H GLN 48 H GLN 48 -1.817 4.081 9.651 376 HA GLN 48 HA GLN 48 -1.506 2.653 12.233 377 1HB GLN 48 2HB GLN 48 -0.745 4.960 12.000 378 2HB GLN 48 3HB GLN 48 -2.392 5.486 11.708 379 1HG GLN 48 2HG GLN 48 -3.124 4.915 13.901 380 2HG GLN 48 3HG GLN 48 -1.840 3.725 14.136 381 1HE2 GLN 48 2HE2 GLN 48 -2.391 5.467 16.180 382 2HE2 GLN 48 1HE2 GLN 48 -1.079 6.623 16.315 383 HA PRO 49 HA PRO 49 -5.705 1.401 11.006 384 1HB PRO 49 2HB PRO 49 -6.137 -0.596 12.802 385 2HB PRO 49 3HB PRO 49 -4.988 -0.756 11.445 386 1HG PRO 49 2HG PRO 49 -4.346 0.045 14.297 387 2HG PRO 49 3HG PRO 49 -3.583 -1.243 13.325 388 1HD PRO 49 2HD PRO 49 -2.485 1.209 13.525 389 2HD PRO 49 3HD PRO 49 -2.453 0.352 11.953 390 H HIS 50 H HIS 50 -6.189 3.536 11.631 391 HA HIS 50 HA HIS 50 -8.532 3.733 13.149 392 1HB HIS 50 2HB HIS 50 -6.020 4.699 14.565 393 2HB HIS 50 3HB HIS 50 -7.491 5.662 14.686 394 HD1 HIS 50 1HD HIS 50 -5.999 3.784 17.039 395 HD2 HIS 50 2HD HIS 50 -9.725 3.452 15.114 396 HE1 HIS 50 1HE HIS 50 -7.554 2.557 18.648 397 H LEU 51 H LEU 51 -5.641 5.393 11.771 398 HA LEU 51 HA LEU 51 -7.155 7.820 11.272 399 1HB LEU 51 2HB LEU 51 -4.485 6.890 10.382 400 2HB LEU 51 3HB LEU 51 -5.133 8.501 10.063 401 HG LEU 51 HG LEU 51 -4.746 7.341 12.862 402 1HD1 LEU 51 1HD1 LEU 51 -2.561 7.743 11.686 403 2HD1 LEU 51 2HD1 LEU 51 -3.044 9.433 11.438 404 3HD1 LEU 51 3HD1 LEU 51 -2.802 8.805 13.080 405 1HD2 LEU 51 1HD2 LEU 51 -6.461 9.073 12.910 406 2HD2 LEU 51 2HD2 LEU 51 -4.974 9.748 13.568 407 3HD2 LEU 51 3HD2 LEU 51 -5.457 10.147 11.908 408 H ILE 52 H ILE 52 -5.951 5.086 9.234 409 HA ILE 52 HA ILE 52 -7.854 5.815 7.143 410 HB ILE 52 HB ILE 52 -5.259 6.624 7.000 411 1HG1 ILE 52 2HG1 ILE 52 -5.531 6.289 4.469 412 2HG1 ILE 52 3HG1 ILE 52 -7.173 5.771 4.965 413 1HG2 ILE 52 1HG2 ILE 52 -4.358 4.326 7.162 414 2HG2 ILE 52 2HG2 ILE 52 -5.122 3.961 5.557 415 3HG2 ILE 52 3HG2 ILE 52 -3.861 5.218 5.737 416 1HD1 ILE 52 1HD1 ILE 52 -5.755 8.418 5.570 417 2HD1 ILE 52 2HD1 ILE 52 -7.083 8.210 4.415 418 3HD1 ILE 52 3HD1 ILE 52 -7.382 8.008 6.158 419 H SER 53 H SER 53 -8.118 3.876 5.643 420 HA SER 53 HA SER 53 -7.879 1.346 7.214 421 1HB SER 53 2HB SER 53 -10.156 0.859 6.402 422 2HB SER 53 3HB SER 53 -10.118 2.367 7.335 423 HG SER 53 HG SER 53 -11.237 2.774 5.436 424 H VAL 54 H VAL 54 -8.070 -0.586 5.959 425 HA VAL 54 HA VAL 54 -6.442 -0.879 3.720 426 HB VAL 54 HB VAL 54 -8.743 -2.503 4.820 427 1HG1 VAL 54 1HG1 VAL 54 -7.813 -4.367 3.323 428 2HG1 VAL 54 2HG1 VAL 54 -8.780 -3.128 2.516 429 3HG1 VAL 54 3HG1 VAL 54 -7.011 -3.065 2.403 430 1HG2 VAL 54 1HG2 VAL 54 -6.930 -4.007 5.534 431 2HG2 VAL 54 2HG2 VAL 54 -5.729 -2.967 4.743 432 3HG2 VAL 54 3HG2 VAL 54 -6.633 -2.375 6.151 433 H GLU 55 H GLU 55 -10.022 -0.195 3.793 434 HA GLU 55 HA GLU 55 -10.275 -0.643 1.001 435 1HB GLU 55 2HB GLU 55 -11.992 -0.452 3.007 436 2HB GLU 55 3HB GLU 55 -12.195 1.147 2.305 437 1HG GLU 55 2HG GLU 55 -12.400 -1.508 0.828 438 2HG GLU 55 3HG GLU 55 -13.776 -0.694 1.554 439 H GLU 56 H GLU 56 -9.349 2.243 2.939 440 HA GLU 56 HA GLU 56 -9.547 4.164 0.857 441 1HB GLU 56 2HB GLU 56 -8.762 4.151 3.617 442 2HB GLU 56 3HB GLU 56 -7.350 4.690 2.715 443 1HG GLU 56 2HG GLU 56 -10.134 5.884 2.366 444 2HG GLU 56 3HG GLU 56 -8.882 6.544 3.422 445 H MET 57 H MET 57 -6.637 2.312 2.175 446 HA MET 57 HA MET 57 -4.842 2.833 0.215 447 1HB MET 57 2HB MET 57 -5.367 0.071 1.223 448 2HB MET 57 3HB MET 57 -3.904 0.782 0.580 449 1HG MET 57 2HG MET 57 -3.882 2.371 2.506 450 2HG MET 57 3HG MET 57 -5.148 1.363 3.251 451 1HE MET 57 1HE MET 57 -2.227 2.166 4.290 452 2HE MET 57 2HE MET 57 -3.395 1.268 5.288 453 3HE MET 57 3HE MET 57 -1.728 0.641 5.064 454 H LYS 58 H LYS 58 -7.216 0.116 -0.028 455 HA LYS 58 HA LYS 58 -6.367 -0.513 -2.703 456 1HB LYS 58 2HB LYS 58 -7.001 -2.231 -1.822 457 2HB LYS 58 3HB LYS 58 -8.406 -1.601 -0.888 458 1HG LYS 58 2HG LYS 58 -8.289 -1.964 -3.943 459 2HG LYS 58 3HG LYS 58 -8.703 -3.227 -2.821 460 1HD LYS 58 2HD LYS 58 -10.330 -1.006 -2.020 461 2HD LYS 58 3HD LYS 58 -10.328 -0.998 -3.796 462 1HE LYS 58 2HE LYS 58 -10.941 -3.474 -3.707 463 2HE LYS 58 3HE LYS 58 -11.112 -3.295 -1.944 464 1HZ LYS 58 1HZ LYS 58 -12.592 -1.855 -4.023 465 2HZ LYS 58 2HZ LYS 58 -13.208 -3.021 -3.032 466 3HZ LYS 58 3HZ LYS 58 -12.757 -1.562 -2.395 467 H LYS 59 H LYS 59 -9.404 1.250 -1.692 468 HA LYS 59 HA LYS 59 -10.411 1.859 -4.144 469 1HB LYS 59 2HB LYS 59 -11.074 2.587 -1.635 470 2HB LYS 59 3HB LYS 59 -10.140 4.015 -2.043 471 1HG LYS 59 2HG LYS 59 -12.340 4.473 -2.525 472 2HG LYS 59 3HG LYS 59 -11.642 4.133 -4.124 473 1HD LYS 59 2HD LYS 59 -13.050 2.325 -4.430 474 2HD LYS 59 3HD LYS 59 -12.561 1.652 -2.879 475 1HE LYS 59 2HE LYS 59 -14.188 3.504 -1.865 476 2HE LYS 59 3HE LYS 59 -14.929 3.426 -3.478 477 1HZ LYS 59 1HZ LYS 59 -14.399 1.254 -1.576 478 2HZ LYS 59 2HZ LYS 59 -15.875 1.899 -1.836 479 3HZ LYS 59 3HZ LYS 59 -15.151 1.004 -3.029 480 H GLN 60 H GLN 60 -7.851 3.664 -2.328 481 HA GLN 60 HA GLN 60 -7.417 5.603 -4.400 482 1HB GLN 60 2HB GLN 60 -5.608 4.500 -2.274 483 2HB GLN 60 3HB GLN 60 -5.193 5.917 -3.242 484 1HG GLN 60 2HG GLN 60 -7.754 5.772 -1.567 485 2HG GLN 60 3HG GLN 60 -6.218 6.373 -0.949 486 1HE2 GLN 60 2HE2 GLN 60 -8.499 7.894 -0.889 487 2HE2 GLN 60 1HE2 GLN 60 -8.327 9.244 -2.022 488 H ILE 61 H ILE 61 -5.765 2.486 -3.728 489 HA ILE 61 HA ILE 61 -3.855 2.823 -5.857 490 HB ILE 61 HB ILE 61 -4.496 0.465 -4.106 491 1HG1 ILE 61 2HG1 ILE 61 -2.228 2.537 -4.220 492 2HG1 ILE 61 3HG1 ILE 61 -3.562 2.628 -3.103 493 1HG2 ILE 61 1HG2 ILE 61 -2.273 0.908 -6.162 494 2HG2 ILE 61 2HG2 ILE 61 -2.322 -0.434 -4.992 495 3HG2 ILE 61 3HG2 ILE 61 -3.541 -0.331 -6.253 496 1HD1 ILE 61 1HD1 ILE 61 -1.460 0.472 -3.155 497 2HD1 ILE 61 2HD1 ILE 61 -1.771 1.692 -1.902 498 3HD1 ILE 61 3HD1 ILE 61 -2.966 0.411 -2.197 499 H GLU 62 H GLU 62 -6.535 0.314 -5.545 500 HA GLU 62 HA GLU 62 -6.516 -0.517 -8.190 501 1HB GLU 62 2HB GLU 62 -8.208 -0.741 -5.843 502 2HB GLU 62 3HB GLU 62 -9.231 -0.146 -7.111 503 1HG GLU 62 2HG GLU 62 -8.339 -2.149 -8.475 504 2HG GLU 62 3HG GLU 62 -7.595 -2.706 -6.972 505 H ALA 63 H ALA 63 -7.998 2.549 -6.886 506 HA ALA 63 HA ALA 63 -9.448 3.205 -9.204 507 1HB ALA 63 1HB ALA 63 -9.061 5.594 -8.532 508 2HB ALA 63 2HB ALA 63 -9.696 4.566 -7.248 509 3HB ALA 63 3HB ALA 63 -7.964 5.008 -7.268 510 H MET 64 H MET 64 -5.908 3.380 -8.717 511 HA MET 64 HA MET 64 -5.250 4.986 -10.980 512 1HB MET 64 2HB MET 64 -3.802 2.620 -9.757 513 2HB MET 64 3HB MET 64 -3.150 3.776 -10.910 514 1HG MET 64 2HG MET 64 -4.023 4.463 -8.078 515 2HG MET 64 3HG MET 64 -2.391 4.234 -8.695 516 1HE MET 64 1HE MET 64 -2.619 6.781 -7.138 517 2HE MET 64 2HE MET 64 -1.218 6.278 -8.126 518 3HE MET 64 3HE MET 64 -1.876 7.913 -8.305 519 H GLY 65 H GLY 65 -5.931 1.505 -10.539 520 1HA GLY 65 1HA GLY 65 -7.064 0.477 -12.555 521 2HA GLY 65 2HA GLY 65 -5.627 0.971 -13.470 522 H PHE 66 H PHE 66 -4.146 0.408 -10.697 523 HA PHE 66 HA PHE 66 -3.147 -2.133 -11.602 524 1HB PHE 66 2HB PHE 66 -2.641 -0.550 -9.081 525 2HB PHE 66 3HB PHE 66 -1.624 -1.878 -9.674 526 HD1 PHE 66 1HD PHE 66 -0.866 -1.487 -12.306 527 HD2 PHE 66 2HD PHE 66 -1.838 1.587 -9.441 528 HE1 PHE 66 1HE PHE 66 0.190 0.225 -13.766 529 HE2 PHE 66 2HE PHE 66 -0.793 3.287 -10.914 530 HZ PHE 66 HZ PHE 66 0.077 2.620 -13.131 531 HA PRO 67 HA PRO 67 -6.114 -4.267 -8.801 532 1HB PRO 67 2HB PRO 67 -5.468 -6.856 -9.385 533 2HB PRO 67 3HB PRO 67 -6.460 -5.850 -10.485 534 1HG PRO 67 2HG PRO 67 -3.483 -6.367 -10.616 535 2HG PRO 67 3HG PRO 67 -4.666 -6.523 -11.947 536 1HD PRO 67 2HD PRO 67 -3.119 -4.313 -11.594 537 2HD PRO 67 3HD PRO 67 -4.807 -4.153 -12.179 538 H ALA 68 H ALA 68 -5.701 -5.060 -6.694 539 HA ALA 68 HA ALA 68 -2.923 -5.798 -6.043 540 1HB ALA 68 1HB ALA 68 -3.061 -3.359 -5.660 541 2HB ALA 68 2HB ALA 68 -4.415 -3.619 -4.532 542 3HB ALA 68 3HB ALA 68 -2.810 -4.300 -4.174 543 H PHE 69 H PHE 69 -2.792 -7.275 -4.622 544 HA PHE 69 HA PHE 69 -5.170 -8.649 -3.481 545 1HB PHE 69 2HB PHE 69 -2.441 -9.447 -4.352 546 2HB PHE 69 3HB PHE 69 -3.297 -10.445 -3.176 547 HD1 PHE 69 1HD PHE 69 -3.397 -9.170 -6.686 548 HD2 PHE 69 2HD PHE 69 -5.189 -11.819 -3.774 549 HE1 PHE 69 1HE PHE 69 -4.534 -10.397 -8.489 550 HE2 PHE 69 2HE PHE 69 -6.249 -13.105 -5.610 551 HZ PHE 69 HZ PHE 69 -5.925 -12.395 -7.972 552 H VAL 70 H VAL 70 -5.110 -6.752 -1.927 553 HA VAL 70 HA VAL 70 -3.185 -6.628 0.206 554 HB VAL 70 HB VAL 70 -4.381 -4.765 0.111 555 1HG1 VAL 70 1HG1 VAL 70 -6.891 -6.400 -0.182 556 2HG1 VAL 70 2HG1 VAL 70 -6.884 -4.648 0.155 557 3HG1 VAL 70 3HG1 VAL 70 -6.154 -5.258 -1.336 558 1HG2 VAL 70 1HG2 VAL 70 -5.995 -6.143 2.266 559 2HG2 VAL 70 2HG2 VAL 70 -4.245 -5.876 2.421 560 3HG2 VAL 70 3HG2 VAL 70 -5.337 -4.498 2.222 561 H LYS 71 H LYS 71 -2.641 -8.526 1.308 562 HA LYS 71 HA LYS 71 -4.757 -9.701 2.928 563 1HB LYS 71 2HB LYS 71 -4.417 -11.950 2.201 564 2HB LYS 71 3HB LYS 71 -5.131 -10.927 0.946 565 1HG LYS 71 2HG LYS 71 -2.816 -10.584 0.050 566 2HG LYS 71 3HG LYS 71 -2.247 -11.794 1.184 567 1HD LYS 71 2HD LYS 71 -3.919 -13.428 0.203 568 2HD LYS 71 3HD LYS 71 -4.321 -12.208 -1.026 569 1HE LYS 71 2HE LYS 71 -1.961 -12.231 -1.827 570 2HE LYS 71 3HE LYS 71 -1.537 -13.403 -0.567 571 1HZ LYS 71 1HZ LYS 71 -3.414 -13.893 -2.788 572 2HZ LYS 71 2HZ LYS 71 -1.888 -14.481 -2.658 573 3HZ LYS 71 3HZ LYS 71 -3.042 -14.968 -1.597 574 H LYS 72 H LYS 72 -2.779 -8.224 4.031 575 HA LYS 72 HA LYS 72 -1.567 -10.264 5.666 576 1HB LYS 72 2HB LYS 72 -0.071 -9.499 3.414 577 2HB LYS 72 3HB LYS 72 0.679 -8.587 4.728 578 1HG LYS 72 2HG LYS 72 0.219 -11.586 4.653 579 2HG LYS 72 3HG LYS 72 1.754 -10.761 4.313 580 1HD LYS 72 2HD LYS 72 1.810 -9.842 6.622 581 2HD LYS 72 3HD LYS 72 0.241 -10.580 6.941 582 1HE LYS 72 2HE LYS 72 1.460 -12.172 7.899 583 2HE LYS 72 3HE LYS 72 1.467 -12.860 6.279 584 1HZ LYS 72 1HZ LYS 72 3.578 -11.097 7.374 585 2HZ LYS 72 2HZ LYS 72 3.605 -12.669 7.577 586 3HZ LYS 72 3HZ LYS 72 3.724 -12.045 6.025 587 H ILE 73 H ILE 73 -3.188 -9.008 6.853 588 HA ILE 73 HA ILE 73 -2.363 -6.376 7.772 589 HB ILE 73 HB ILE 73 -4.695 -6.913 7.385 590 1HG1 ILE 73 2HG1 ILE 73 -5.686 -6.153 9.547 591 2HG1 ILE 73 3HG1 ILE 73 -4.096 -6.289 10.303 592 1HG2 ILE 73 1HG2 ILE 73 -4.738 -9.326 8.022 593 2HG2 ILE 73 2HG2 ILE 73 -4.698 -8.847 9.730 594 3HG2 ILE 73 3HG2 ILE 73 -6.046 -8.364 8.704 595 1HD1 ILE 73 1HD1 ILE 73 -4.804 -4.553 7.891 596 2HD1 ILE 73 2HD1 ILE 73 -4.601 -3.993 9.567 597 3HD1 ILE 73 3HD1 ILE 73 -3.210 -4.615 8.669 598 H GLU 74 H GLU 74 -0.207 -7.157 8.394 599 HA GLU 74 HA GLU 74 -0.141 -8.788 10.907 600 1HB GLU 74 2HB GLU 74 0.910 -9.658 8.854 601 2HB GLU 74 3HB GLU 74 2.068 -8.315 8.897 602 1HG GLU 74 2HG GLU 74 2.927 -9.180 11.063 603 2HG GLU 74 3HG GLU 74 1.708 -10.473 11.036 604 H GLY 75 H GLY 75 0.681 -7.953 12.727 605 1HA GLY 75 1HA GLY 75 1.215 -5.120 12.979 606 2HA GLY 75 2HA GLY 75 1.413 -6.366 14.225 607 H ARG 76 H ARG 76 3.239 -4.306 13.899 608 HA ARG 76 HA ARG 76 5.654 -5.023 12.580 609 1HB ARG 76 2HB ARG 76 6.651 -3.413 14.060 610 2HB ARG 76 3HB ARG 76 5.024 -2.817 13.686 611 1HG ARG 76 2HG ARG 76 4.381 -4.210 15.867 612 2HG ARG 76 3HG ARG 76 6.105 -4.074 16.217 613 1HD ARG 76 2HD ARG 76 5.793 -1.537 15.864 614 2HD ARG 76 3HD ARG 76 4.054 -1.826 15.942 615 HE ARG 76 HE ARG 76 5.931 -1.680 18.103 616 1HH1 ARG 76 1HH2 ARG 76 3.090 -3.540 17.175 617 2HH1 ARG 76 2HH2 ARG 76 2.772 -4.178 18.757 618 1HH2 ARG 76 1HH1 ARG 76 5.540 -2.479 20.230 619 2HH2 ARG 76 2HH1 ARG 76 4.175 -3.499 20.548 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -1.425 0.624 15.682 2 2H GLY 1 2H GLY 1 -1.256 1.724 16.909 3 3H GLY 1 3H GLY 1 -0.986 2.192 15.346 4 1HA GLY 1 1HA GLY 1 1.093 1.966 16.378 5 2HA GLY 1 2HA GLY 1 0.634 0.337 16.903 6 H GLU 2 H GLU 2 0.831 2.279 13.860 7 HA GLU 2 HA GLU 2 1.507 1.690 11.748 8 1HB GLU 2 2HB GLU 2 3.456 2.409 13.136 9 2HB GLU 2 3HB GLU 2 3.826 0.709 13.458 10 1HG GLU 2 2HG GLU 2 4.169 0.326 11.053 11 2HG GLU 2 3HG GLU 2 3.773 2.026 10.710 12 H VAL 3 H VAL 3 -0.103 -0.054 11.071 13 HA VAL 3 HA VAL 3 0.842 -2.772 11.462 14 HB VAL 3 HB VAL 3 -1.385 -2.297 12.097 15 1HG1 VAL 3 1HG1 VAL 3 -3.189 -1.772 10.462 16 2HG1 VAL 3 2HG1 VAL 3 -2.079 -0.414 10.541 17 3HG1 VAL 3 3HG1 VAL 3 -1.985 -1.542 9.189 18 1HG2 VAL 3 1HG2 VAL 3 -0.756 -4.411 11.136 19 2HG2 VAL 3 2HG2 VAL 3 -2.465 -3.999 10.793 20 3HG2 VAL 3 3HG2 VAL 3 -1.223 -3.803 9.523 21 H VAL 4 H VAL 4 1.674 -3.822 9.877 22 HA VAL 4 HA VAL 4 2.229 -2.576 7.254 23 HB VAL 4 HB VAL 4 3.729 -4.277 8.934 24 1HG1 VAL 4 1HG1 VAL 4 4.315 -6.148 7.473 25 2HG1 VAL 4 2HG1 VAL 4 2.623 -6.271 7.944 26 3HG1 VAL 4 3HG1 VAL 4 3.046 -5.672 6.321 27 1HG2 VAL 4 1HG2 VAL 4 5.386 -4.092 7.090 28 2HG2 VAL 4 2HG2 VAL 4 4.113 -3.394 6.068 29 3HG2 VAL 4 3HG2 VAL 4 4.651 -2.551 7.548 30 H LEU 5 H LEU 5 0.972 -2.896 5.541 31 HA LEU 5 HA LEU 5 -0.693 -5.362 5.402 32 1HB LEU 5 2HB LEU 5 -1.213 -2.491 4.835 33 2HB LEU 5 3HB LEU 5 -1.806 -3.599 3.601 34 HG LEU 5 HG LEU 5 -3.450 -2.956 5.364 35 1HD1 LEU 5 1HD1 LEU 5 -2.846 -5.684 4.424 36 2HD1 LEU 5 2HD1 LEU 5 -3.964 -5.594 5.809 37 3HD1 LEU 5 3HD1 LEU 5 -4.317 -4.712 4.330 38 1HD2 LEU 5 1HD2 LEU 5 -1.801 -3.103 7.282 39 2HD2 LEU 5 2HD2 LEU 5 -3.379 -3.879 7.571 40 3HD2 LEU 5 3HD2 LEU 5 -1.975 -4.872 7.193 41 H LYS 6 H LYS 6 -0.168 -6.670 3.706 42 HA LYS 6 HA LYS 6 1.751 -5.591 1.673 43 1HB LYS 6 2HB LYS 6 2.758 -7.158 3.233 44 2HB LYS 6 3HB LYS 6 1.553 -8.344 2.719 45 1HG LYS 6 2HG LYS 6 3.450 -6.998 0.742 46 2HG LYS 6 3HG LYS 6 3.907 -8.419 1.673 47 1HD LYS 6 2HD LYS 6 1.664 -9.444 0.817 48 2HD LYS 6 3HD LYS 6 1.726 -8.199 -0.427 49 1HE LYS 6 2HE LYS 6 3.541 -9.051 -1.511 50 2HE LYS 6 3HE LYS 6 4.214 -9.838 -0.071 51 1HZ LYS 6 1HZ LYS 6 1.854 -10.694 -1.613 52 2HZ LYS 6 2HZ LYS 6 3.359 -11.351 -1.714 53 3HZ LYS 6 3HZ LYS 6 2.499 -11.495 -0.319 54 H MET 7 H MET 7 0.998 -5.512 -0.192 55 HA MET 7 HA MET 7 -1.365 -7.055 -1.035 56 1HB MET 7 2HB MET 7 -0.617 -4.584 -2.533 57 2HB MET 7 3HB MET 7 -2.179 -5.302 -2.168 58 1HG MET 7 2HG MET 7 -1.974 -4.499 0.177 59 2HG MET 7 3HG MET 7 -0.478 -3.665 -0.254 60 1HE MET 7 1HE MET 7 -1.821 -1.839 1.086 61 2HE MET 7 2HE MET 7 -3.160 -0.888 0.384 62 3HE MET 7 3HE MET 7 -3.449 -2.529 0.992 63 H LYS 8 H LYS 8 -0.956 -8.501 -2.681 64 HA LYS 8 HA LYS 8 1.650 -8.361 -4.147 65 1HB LYS 8 2HB LYS 8 0.818 -10.548 -3.598 66 2HB LYS 8 3HB LYS 8 -0.711 -10.263 -4.426 67 1HG LYS 8 2HG LYS 8 1.957 -9.970 -5.850 68 2HG LYS 8 3HG LYS 8 1.201 -11.554 -5.625 69 1HD LYS 8 2HD LYS 8 -0.785 -9.711 -6.675 70 2HD LYS 8 3HD LYS 8 0.673 -9.571 -7.647 71 1HE LYS 8 2HE LYS 8 -0.719 -12.223 -6.975 72 2HE LYS 8 3HE LYS 8 -1.043 -11.260 -8.424 73 1HZ LYS 8 1HZ LYS 8 1.614 -12.371 -7.797 74 2HZ LYS 8 2HZ LYS 8 0.542 -12.947 -8.925 75 3HZ LYS 8 3HZ LYS 8 1.178 -11.456 -9.093 76 H VAL 9 H VAL 9 1.836 -7.153 -6.030 77 HA VAL 9 HA VAL 9 -0.684 -6.000 -7.179 78 HB VAL 9 HB VAL 9 0.820 -4.089 -7.854 79 1HG1 VAL 9 1HG1 VAL 9 -0.899 -3.852 -6.161 80 2HG1 VAL 9 2HG1 VAL 9 0.209 -4.432 -4.896 81 3HG1 VAL 9 3HG1 VAL 9 0.516 -2.887 -5.727 82 1HG2 VAL 9 1HG2 VAL 9 3.014 -5.083 -7.356 83 2HG2 VAL 9 2HG2 VAL 9 2.780 -3.593 -6.423 84 3HG2 VAL 9 3HG2 VAL 9 2.601 -5.152 -5.626 85 H GLU 10 H GLU 10 -0.589 -5.661 -9.451 86 HA GLU 10 HA GLU 10 1.400 -7.420 -10.851 87 1HB GLU 10 2HB GLU 10 -1.546 -6.996 -11.427 88 2HB GLU 10 3HB GLU 10 -0.433 -7.870 -12.485 89 1HG GLU 10 2HG GLU 10 -0.884 -8.711 -9.590 90 2HG GLU 10 3HG GLU 10 -1.859 -9.301 -10.941 91 H GLY 11 H GLY 11 2.060 -6.744 -12.892 92 1HA GLY 11 1HA GLY 11 2.446 -5.357 -14.682 93 2HA GLY 11 2HA GLY 11 0.863 -4.636 -14.355 94 H MET 12 H MET 12 3.882 -4.673 -12.442 95 HA MET 12 HA MET 12 4.432 -1.833 -13.056 96 1HB MET 12 2HB MET 12 4.035 -2.938 -10.235 97 2HB MET 12 3HB MET 12 4.886 -1.438 -10.629 98 1HG MET 12 2HG MET 12 2.807 -0.669 -11.853 99 2HG MET 12 3HG MET 12 1.942 -2.005 -11.089 100 1HE MET 12 1HE MET 12 2.876 -2.228 -8.242 101 2HE MET 12 2HE MET 12 1.964 -0.992 -7.339 102 3HE MET 12 3HE MET 12 1.145 -1.952 -8.594 103 H THR 13 H THR 13 6.370 -2.135 -14.014 104 HA THR 13 HA THR 13 8.619 -3.047 -12.403 105 HB THR 13 HB THR 13 9.322 -4.443 -14.645 106 HG1 THR 13 1HG THR 13 6.537 -4.813 -14.314 107 1HG2 THR 13 1HG2 THR 13 7.796 -5.694 -12.339 108 2HG2 THR 13 2HG2 THR 13 8.902 -6.475 -13.468 109 3HG2 THR 13 3HG2 THR 13 9.509 -5.260 -12.335 110 H CYS 14 HN CYS 14 7.574 -0.594 -13.547 111 HA CYS 14 HA CYS 14 9.650 0.173 -15.563 112 1HB CYS 14 2HB CYS 14 7.979 1.982 -16.057 113 2HB CYS 14 3HB CYS 14 7.403 0.350 -16.411 114 H HIS 15 H HIS 15 8.980 0.476 -12.271 115 HA HIS 15 HA HIS 15 9.752 1.739 -10.643 116 1HB HIS 15 2HB HIS 15 11.804 1.954 -12.273 117 2HB HIS 15 3HB HIS 15 11.271 3.628 -12.442 118 HD1 HIS 15 1HD HIS 15 14.041 3.076 -11.198 119 HD2 HIS 15 2HD HIS 15 10.478 3.242 -8.961 120 HE1 HIS 15 1HE HIS 15 14.705 3.548 -8.777 121 H SER 16 H SER 16 8.861 3.766 -13.486 122 HA SER 16 HA SER 16 7.938 6.028 -12.228 123 1HB SER 16 2HB SER 16 6.738 4.604 -14.640 124 2HB SER 16 3HB SER 16 6.386 6.279 -14.152 125 HG SER 16 HG SER 16 8.100 6.240 -15.652 126 H CYS 17 HN CYS 17 5.837 3.128 -12.871 127 HA CYS 17 HA CYS 17 3.565 4.250 -11.635 128 1HB CYS 17 2HB CYS 17 4.292 1.341 -12.126 129 2HB CYS 17 3HB CYS 17 2.728 1.927 -11.544 130 H THR 18 H THR 18 5.951 1.886 -10.230 131 HA THR 18 HA THR 18 4.756 1.716 -7.685 132 HB THR 18 HB THR 18 7.168 1.201 -6.955 133 HG1 THR 18 1HG THR 18 8.631 0.953 -8.630 134 1HG2 THR 18 1HG2 THR 18 6.390 -0.467 -9.353 135 2HG2 THR 18 2HG2 THR 18 7.097 -0.970 -7.805 136 3HG2 THR 18 3HG2 THR 18 5.394 -0.507 -7.884 137 H SER 19 H SER 19 7.411 3.863 -8.800 138 HA SER 19 HA SER 19 7.646 5.324 -6.370 139 1HB SER 19 2HB SER 19 9.308 5.268 -8.212 140 2HB SER 19 3HB SER 19 8.234 6.271 -9.213 141 HG SER 19 HG SER 19 9.934 7.369 -7.926 142 H THR 20 H THR 20 5.563 5.989 -9.247 143 HA THR 20 HA THR 20 4.555 8.478 -8.282 144 HB THR 20 HB THR 20 3.283 6.436 -10.154 145 HG1 THR 20 1HG THR 20 5.179 7.317 -10.926 146 1HG2 THR 20 1HG2 THR 20 2.546 9.340 -9.567 147 2HG2 THR 20 2HG2 THR 20 1.950 8.401 -10.951 148 3HG2 THR 20 3HG2 THR 20 1.516 7.911 -9.307 149 H ILE 21 H ILE 21 3.368 5.059 -7.814 150 HA ILE 21 HA ILE 21 1.091 5.793 -6.276 151 HB ILE 21 HB ILE 21 2.769 3.348 -6.841 152 1HG1 ILE 21 2HG1 ILE 21 -0.239 3.565 -6.747 153 2HG1 ILE 21 3HG1 ILE 21 0.656 4.242 -8.106 154 1HG2 ILE 21 1HG2 ILE 21 1.370 2.029 -5.272 155 2HG2 ILE 21 2HG2 ILE 21 2.533 3.126 -4.515 156 3HG2 ILE 21 3HG2 ILE 21 0.797 3.567 -4.580 157 1HD1 ILE 21 1HD1 ILE 21 1.476 1.468 -7.395 158 2HD1 ILE 21 2HD1 ILE 21 -0.177 1.634 -7.976 159 3HD1 ILE 21 3HD1 ILE 21 1.179 2.218 -8.973 160 H GLU 22 H GLU 22 4.460 4.849 -5.303 161 HA GLU 22 HA GLU 22 4.135 5.179 -2.591 162 1HB GLU 22 2HB GLU 22 6.332 4.835 -4.420 163 2HB GLU 22 3HB GLU 22 6.790 6.150 -3.363 164 1HG GLU 22 2HG GLU 22 6.192 4.718 -1.392 165 2HG GLU 22 3HG GLU 22 5.664 3.452 -2.529 166 H GLY 23 H GLY 23 5.045 7.724 -4.926 167 1HA GLY 23 1HA GLY 23 5.149 9.927 -3.193 168 2HA GLY 23 2HA GLY 23 4.679 9.979 -4.901 169 H LYS 24 H LYS 24 2.296 8.675 -5.056 170 HA LYS 24 HA LYS 24 0.581 10.724 -4.105 171 1HB LYS 24 2HB LYS 24 0.378 8.927 -6.119 172 2HB LYS 24 3HB LYS 24 -0.568 8.063 -4.930 173 1HG LYS 24 2HG LYS 24 -2.316 9.306 -5.586 174 2HG LYS 24 3HG LYS 24 -1.619 10.641 -4.692 175 1HD LYS 24 2HD LYS 24 -0.412 11.429 -6.694 176 2HD LYS 24 3HD LYS 24 -0.938 10.007 -7.609 177 1HE LYS 24 2HE LYS 24 -3.352 10.748 -7.239 178 2HE LYS 24 3HE LYS 24 -2.721 12.252 -6.553 179 1HZ LYS 24 1HZ LYS 24 -2.262 11.257 -9.296 180 2HZ LYS 24 2HZ LYS 24 -3.263 12.483 -8.867 181 3HZ LYS 24 3HZ LYS 24 -1.637 12.653 -8.687 182 H ILE 25 H ILE 25 0.829 7.318 -3.189 183 HA ILE 25 HA ILE 25 -1.166 7.508 -1.176 184 HB ILE 25 HB ILE 25 0.807 5.300 -1.669 185 1HG1 ILE 25 2HG1 ILE 25 -0.567 5.736 -3.620 186 2HG1 ILE 25 3HG1 ILE 25 -0.826 4.154 -2.879 187 1HG2 ILE 25 1HG2 ILE 25 -0.904 3.902 -0.450 188 2HG2 ILE 25 2HG2 ILE 25 0.000 5.029 0.574 189 3HG2 ILE 25 3HG2 ILE 25 -1.659 5.407 0.095 190 1HD1 ILE 25 1HD1 ILE 25 -2.591 6.590 -2.556 191 2HD1 ILE 25 2HD1 ILE 25 -2.938 5.159 -3.550 192 3HD1 ILE 25 3HD1 ILE 25 -2.848 5.006 -1.781 193 H GLY 26 H GLY 26 2.385 7.746 -1.108 194 1HA GLY 26 1HA GLY 26 2.872 7.832 1.642 195 2HA GLY 26 2HA GLY 26 3.717 8.775 0.403 196 H LYS 27 H LYS 27 1.124 10.214 -0.399 197 HA LYS 27 HA LYS 27 1.295 12.291 1.666 198 1HB LYS 27 2HB LYS 27 1.775 12.888 -0.565 199 2HB LYS 27 3HB LYS 27 0.320 12.127 -1.199 200 1HG LYS 27 2HG LYS 27 -1.099 13.740 -0.317 201 2HG LYS 27 3HG LYS 27 0.173 14.466 0.699 202 1HD LYS 27 2HD LYS 27 1.365 15.297 -1.217 203 2HD LYS 27 3HD LYS 27 0.425 14.285 -2.334 204 1HE LYS 27 2HE LYS 27 -1.625 15.592 -1.834 205 2HE LYS 27 3HE LYS 27 -0.711 16.624 -0.720 206 1HZ LYS 27 1HZ LYS 27 -0.186 16.360 -3.612 207 2HZ LYS 27 2HZ LYS 27 -0.982 17.608 -2.899 208 3HZ LYS 27 3HZ LYS 27 0.610 17.362 -2.576 209 H LEU 28 H LEU 28 -0.612 9.499 1.503 210 HA LEU 28 HA LEU 28 -3.193 10.704 2.083 211 1HB LEU 28 2HB LEU 28 -2.058 7.977 2.722 212 2HB LEU 28 3HB LEU 28 -3.699 8.525 2.980 213 HG LEU 28 HG LEU 28 -2.386 7.617 0.516 214 1HD1 LEU 28 1HD1 LEU 28 -5.267 7.682 1.398 215 2HD1 LEU 28 2HD1 LEU 28 -4.571 6.694 0.086 216 3HD1 LEU 28 3HD1 LEU 28 -4.115 6.376 1.772 217 1HD2 LEU 28 1HD2 LEU 28 -2.808 9.921 -0.266 218 2HD2 LEU 28 2HD2 LEU 28 -3.938 8.791 -1.010 219 3HD2 LEU 28 3HD2 LEU 28 -4.486 9.819 0.325 220 H GLN 29 H GLN 29 -4.059 11.122 4.101 221 HA GLN 29 HA GLN 29 -2.236 11.387 6.387 222 1HB GLN 29 2HB GLN 29 -3.837 13.124 6.005 223 2HB GLN 29 3HB GLN 29 -5.197 11.985 5.978 224 1HG GLN 29 2HG GLN 29 -4.982 11.502 8.318 225 2HG GLN 29 3HG GLN 29 -3.411 12.324 8.417 226 1HE2 GLN 29 2HE2 GLN 29 -5.104 13.143 10.304 227 2HE2 GLN 29 1HE2 GLN 29 -5.791 14.703 9.885 228 H GLY 30 H GLY 30 -2.017 9.853 7.950 229 1HA GLY 30 1HA GLY 30 -3.046 8.313 9.519 230 2HA GLY 30 2HA GLY 30 -4.094 7.698 8.242 231 H VAL 31 H VAL 31 -1.275 8.144 6.669 232 HA VAL 31 HA VAL 31 -0.442 5.376 7.020 233 HB VAL 31 HB VAL 31 0.254 7.660 5.131 234 1HG1 VAL 31 1HG1 VAL 31 2.334 6.345 5.340 235 2HG1 VAL 31 2HG1 VAL 31 1.424 4.839 5.060 236 3HG1 VAL 31 3HG1 VAL 31 1.578 6.049 3.775 237 1HG2 VAL 31 1HG2 VAL 31 -1.921 6.550 4.744 238 2HG2 VAL 31 2HG2 VAL 31 -0.792 6.136 3.441 239 3HG2 VAL 31 3HG2 VAL 31 -1.128 4.962 4.725 240 H GLN 32 H GLN 32 1.657 4.764 7.541 241 HA GLN 32 HA GLN 32 3.235 6.661 9.239 242 1HB GLN 32 2HB GLN 32 2.654 3.699 9.366 243 2HB GLN 32 3HB GLN 32 4.119 4.347 10.099 244 1HG GLN 32 2HG GLN 32 1.431 5.455 10.733 245 2HG GLN 32 3HG GLN 32 2.130 4.104 11.640 246 1HE2 GLN 32 2HE2 GLN 32 1.550 6.215 13.180 247 2HE2 GLN 32 1HE2 GLN 32 3.015 7.105 13.587 248 H ARG 33 H ARG 33 3.403 3.953 6.830 249 HA ARG 33 HA ARG 33 5.749 5.082 5.569 250 1HB ARG 33 2HB ARG 33 6.538 3.886 7.757 251 2HB ARG 33 3HB ARG 33 6.141 2.381 6.931 252 1HG ARG 33 2HG ARG 33 7.899 2.650 5.381 253 2HG ARG 33 3HG ARG 33 7.873 4.417 5.503 254 1HD ARG 33 2HD ARG 33 9.875 3.562 6.541 255 2HD ARG 33 3HD ARG 33 8.827 4.377 7.725 256 HE ARG 33 HE ARG 33 8.111 1.691 7.877 257 1HH1 ARG 33 1HH2 ARG 33 10.865 3.736 8.590 258 2HH1 ARG 33 2HH2 ARG 33 11.650 2.624 9.667 259 1HH2 ARG 33 1HH1 ARG 33 9.092 0.163 9.309 260 2HH2 ARG 33 2HH1 ARG 33 10.628 0.500 10.043 261 H ILE 34 H ILE 34 6.461 3.501 3.804 262 HA ILE 34 HA ILE 34 4.396 1.785 2.802 263 HB ILE 34 HB ILE 34 3.393 3.868 2.297 264 1HG1 ILE 34 2HG1 ILE 34 4.946 3.119 -0.177 265 2HG1 ILE 34 3HG1 ILE 34 3.740 2.076 0.512 266 1HG2 ILE 34 1HG2 ILE 34 5.995 4.918 1.118 267 2HG2 ILE 34 2HG2 ILE 34 4.422 5.744 1.109 268 3HG2 ILE 34 3HG2 ILE 34 5.245 5.463 2.634 269 1HD1 ILE 34 1HD1 ILE 34 3.207 4.904 -0.523 270 2HD1 ILE 34 2HD1 ILE 34 2.722 3.388 -1.297 271 3HD1 ILE 34 3HD1 ILE 34 2.015 3.855 0.263 272 H LYS 35 H LYS 35 5.346 0.401 1.375 273 HA LYS 35 HA LYS 35 7.903 1.034 0.284 274 1HB LYS 35 2HB LYS 35 7.638 -1.045 2.413 275 2HB LYS 35 3HB LYS 35 8.600 -1.451 0.999 276 1HG LYS 35 2HG LYS 35 9.024 0.941 2.823 277 2HG LYS 35 3HG LYS 35 9.916 -0.586 2.888 278 1HD LYS 35 2HD LYS 35 10.727 -0.211 0.548 279 2HD LYS 35 3HD LYS 35 9.895 1.351 0.535 280 1HE LYS 35 2HE LYS 35 11.266 1.885 2.690 281 2HE LYS 35 3HE LYS 35 12.307 0.549 2.165 282 1HZ LYS 35 1HZ LYS 35 11.612 2.962 0.605 283 2HZ LYS 35 2HZ LYS 35 13.065 2.663 1.316 284 3HZ LYS 35 3HZ LYS 35 12.557 1.739 0.050 285 H VAL 36 H VAL 36 7.192 1.087 -1.767 286 HA VAL 36 HA VAL 36 5.555 -1.215 -2.692 287 HB VAL 36 HB VAL 36 5.996 1.514 -3.892 288 1HG1 VAL 36 1HG1 VAL 36 4.153 -0.778 -4.732 289 2HG1 VAL 36 2HG1 VAL 36 4.146 0.865 -5.411 290 3HG1 VAL 36 3HG1 VAL 36 5.558 -0.182 -5.634 291 1HG2 VAL 36 1HG2 VAL 36 3.575 0.214 -2.526 292 2HG2 VAL 36 2HG2 VAL 36 4.620 1.423 -1.768 293 3HG2 VAL 36 3HG2 VAL 36 3.659 1.860 -3.175 294 H SER 37 H SER 37 6.676 -2.910 -3.429 295 HA SER 37 HA SER 37 9.357 -2.570 -4.571 296 1HB SER 37 2HB SER 37 7.837 -5.097 -4.211 297 2HB SER 37 3HB SER 37 9.586 -4.865 -4.270 298 HG SER 37 HG SER 37 7.792 -4.501 -2.130 299 H LEU 38 H LEU 38 9.839 -3.665 -6.653 300 HA LEU 38 HA LEU 38 7.488 -3.913 -8.506 301 1HB LEU 38 2HB LEU 38 8.836 -3.299 -10.303 302 2HB LEU 38 3HB LEU 38 8.541 -2.008 -9.161 303 HG LEU 38 HG LEU 38 11.021 -3.083 -8.321 304 1HD1 LEU 38 1HD1 LEU 38 10.943 -2.833 -11.352 305 2HD1 LEU 38 2HD1 LEU 38 12.365 -3.192 -10.340 306 3HD1 LEU 38 3HD1 LEU 38 11.029 -4.363 -10.456 307 1HD2 LEU 38 1HD2 LEU 38 10.301 -0.749 -8.325 308 2HD2 LEU 38 2HD2 LEU 38 11.870 -0.923 -9.147 309 3HD2 LEU 38 3HD2 LEU 38 10.379 -0.705 -10.101 310 H ASP 39 H ASP 39 10.838 -5.051 -7.856 311 HA ASP 39 HA ASP 39 11.120 -6.973 -9.670 312 1HB ASP 39 2HB ASP 39 11.877 -7.413 -6.736 313 2HB ASP 39 3HB ASP 39 12.689 -8.029 -8.162 314 H ASN 40 H ASN 40 9.840 -7.503 -6.419 315 HA ASN 40 HA ASN 40 8.950 -10.174 -7.139 316 1HB ASN 40 2HB ASN 40 10.296 -9.550 -5.097 317 2HB ASN 40 3HB ASN 40 8.745 -9.034 -4.415 318 1HD2 ASN 40 2HD2 ASN 40 6.960 -10.797 -4.587 319 2HD2 ASN 40 1HD2 ASN 40 7.497 -12.449 -4.231 320 H GLN 41 H GLN 41 7.605 -7.631 -8.066 321 HA GLN 41 HA GLN 41 5.865 -6.298 -7.813 322 1HB GLN 41 2HB GLN 41 5.643 -8.530 -9.440 323 2HB GLN 41 3HB GLN 41 4.040 -8.439 -8.736 324 1HG GLN 41 2HG GLN 41 3.808 -6.137 -9.560 325 2HG GLN 41 3HG GLN 41 5.538 -6.039 -9.904 326 1HE2 GLN 41 2HE2 GLN 41 5.764 -5.736 -11.997 327 2HE2 GLN 41 1HE2 GLN 41 5.071 -6.798 -13.238 328 H GLU 42 H GLU 42 5.903 -5.796 -5.641 329 HA GLU 42 HA GLU 42 3.695 -6.880 -3.995 330 1HB GLU 42 2HB GLU 42 5.679 -8.191 -3.515 331 2HB GLU 42 3HB GLU 42 6.661 -6.750 -3.258 332 1HG GLU 42 2HG GLU 42 4.161 -7.007 -1.609 333 2HG GLU 42 3HG GLU 42 5.528 -8.106 -1.270 334 H ALA 43 H ALA 43 2.835 -5.364 -2.629 335 HA ALA 43 HA ALA 43 4.089 -2.674 -2.492 336 1HB ALA 43 1HB ALA 43 1.816 -1.716 -2.480 337 2HB ALA 43 2HB ALA 43 2.208 -2.526 -4.012 338 3HB ALA 43 3HB ALA 43 1.155 -3.326 -2.826 339 H THR 44 H THR 44 4.849 -2.554 -0.461 340 HA THR 44 HA THR 44 3.306 -3.563 1.852 341 HB THR 44 HB THR 44 5.789 -1.783 1.780 342 HG1 THR 44 1HG THR 44 6.062 -3.942 0.661 343 1HG2 THR 44 1HG2 THR 44 4.729 -3.838 3.775 344 2HG2 THR 44 2HG2 THR 44 6.161 -2.812 4.002 345 3HG2 THR 44 3HG2 THR 44 4.544 -2.073 3.946 346 H ILE 45 H ILE 45 1.709 -2.163 2.743 347 HA ILE 45 HA ILE 45 2.262 0.772 2.544 348 HB ILE 45 HB ILE 45 -0.506 -0.442 2.535 349 1HG1 ILE 45 2HG1 ILE 45 0.716 -0.915 0.339 350 2HG1 ILE 45 3HG1 ILE 45 -0.804 -0.012 0.240 351 1HG2 ILE 45 1HG2 ILE 45 -0.367 1.776 3.532 352 2HG2 ILE 45 2HG2 ILE 45 0.552 2.400 2.161 353 3HG2 ILE 45 3HG2 ILE 45 -1.141 1.916 1.940 354 1HD1 ILE 45 1HD1 ILE 45 1.921 1.216 0.105 355 2HD1 ILE 45 2HD1 ILE 45 0.910 0.830 -1.289 356 3HD1 ILE 45 3HD1 ILE 45 0.377 2.062 -0.133 357 H VAL 46 H VAL 46 2.490 1.590 4.583 358 HA VAL 46 HA VAL 46 1.653 -0.197 6.830 359 HB VAL 46 HB VAL 46 3.921 1.764 7.040 360 1HG1 VAL 46 1HG1 VAL 46 2.877 0.733 9.057 361 2HG1 VAL 46 2HG1 VAL 46 3.318 -0.863 8.441 362 3HG1 VAL 46 3HG1 VAL 46 4.592 0.307 8.824 363 1HG2 VAL 46 1HG2 VAL 46 5.415 -0.246 6.610 364 2HG2 VAL 46 2HG2 VAL 46 3.975 -1.051 5.940 365 3HG2 VAL 46 3HG2 VAL 46 4.627 0.408 5.163 366 H TYR 47 H TYR 47 -0.010 0.630 8.015 367 HA TYR 47 HA TYR 47 -0.243 3.603 8.159 368 1HB TYR 47 2HB TYR 47 -2.441 3.665 7.442 369 2HB TYR 47 3HB TYR 47 -1.667 2.596 6.292 370 HD1 TYR 47 1HD TYR 47 -1.961 0.033 6.638 371 HD2 TYR 47 2HD TYR 47 -4.317 2.964 8.746 372 HE1 TYR 47 1HE TYR 47 -3.710 -1.658 7.093 373 HE2 TYR 47 2HE TYR 47 -6.065 1.252 9.146 374 HH TYR 47 HH TYR 47 -5.598 -2.158 8.328 375 H GLN 48 H GLN 48 -2.027 4.306 9.590 376 HA GLN 48 HA GLN 48 -1.588 3.021 12.205 377 1HB GLN 48 2HB GLN 48 -1.050 5.440 11.649 378 2HB GLN 48 3HB GLN 48 -2.779 5.697 11.541 379 1HG GLN 48 2HG GLN 48 -2.298 6.205 13.812 380 2HG GLN 48 3HG GLN 48 -2.921 4.570 13.918 381 1HE2 GLN 48 2HE2 GLN 48 -0.258 6.689 14.529 382 2HE2 GLN 48 1HE2 GLN 48 0.851 5.486 15.154 383 HA PRO 49 HA PRO 49 -5.805 1.542 11.291 384 1HB PRO 49 2HB PRO 49 -6.069 -0.387 13.181 385 2HB PRO 49 3HB PRO 49 -4.951 -0.552 11.802 386 1HG PRO 49 2HG PRO 49 -4.287 0.351 14.611 387 2HG PRO 49 3HG PRO 49 -3.444 -0.885 13.629 388 1HD PRO 49 2HD PRO 49 -2.606 1.731 13.803 389 2HD PRO 49 3HD PRO 49 -2.375 0.769 12.326 390 H HIS 50 H HIS 50 -6.293 3.752 11.859 391 HA HIS 50 HA HIS 50 -8.460 3.961 13.678 392 1HB HIS 50 2HB HIS 50 -5.826 4.611 14.826 393 2HB HIS 50 3HB HIS 50 -6.846 6.042 14.765 394 HD1 HIS 50 1HD HIS 50 -7.621 2.381 15.766 395 HD2 HIS 50 2HD HIS 50 -8.135 6.374 16.978 396 HE1 HIS 50 1HE HIS 50 -9.025 2.327 17.926 397 H LEU 51 H LEU 51 -5.865 5.726 11.927 398 HA LEU 51 HA LEU 51 -7.604 8.031 11.475 399 1HB LEU 51 2HB LEU 51 -4.894 7.339 10.465 400 2HB LEU 51 3HB LEU 51 -5.760 8.806 10.032 401 HG LEU 51 HG LEU 51 -6.018 9.135 12.656 402 1HD1 LEU 51 1HD1 LEU 51 -3.359 7.683 12.466 403 2HD1 LEU 51 2HD1 LEU 51 -4.031 8.465 13.906 404 3HD1 LEU 51 3HD1 LEU 51 -4.796 7.004 13.270 405 1HD2 LEU 51 1HD2 LEU 51 -4.078 10.595 12.642 406 2HD2 LEU 51 2HD2 LEU 51 -3.410 9.777 11.223 407 3HD2 LEU 51 3HD2 LEU 51 -4.915 10.709 11.087 408 H ILE 52 H ILE 52 -6.355 5.299 9.471 409 HA ILE 52 HA ILE 52 -8.418 5.835 7.480 410 HB ILE 52 HB ILE 52 -5.892 6.811 7.130 411 1HG1 ILE 52 2HG1 ILE 52 -6.263 6.399 4.656 412 2HG1 ILE 52 3HG1 ILE 52 -7.743 5.553 5.202 413 1HG2 ILE 52 1HG2 ILE 52 -4.802 4.607 7.370 414 2HG2 ILE 52 2HG2 ILE 52 -5.663 4.035 5.898 415 3HG2 ILE 52 3HG2 ILE 52 -4.500 5.370 5.812 416 1HD1 ILE 52 1HD1 ILE 52 -7.021 8.464 5.807 417 2HD1 ILE 52 2HD1 ILE 52 -8.123 7.956 4.524 418 3HD1 ILE 52 3HD1 ILE 52 -8.555 7.673 6.220 419 H SER 53 H SER 53 -8.362 3.754 5.915 420 HA SER 53 HA SER 53 -8.057 1.326 7.619 421 1HB SER 53 2HB SER 53 -10.315 0.678 6.837 422 2HB SER 53 3HB SER 53 -10.359 2.197 7.751 423 HG SER 53 HG SER 53 -11.534 2.477 5.847 424 H VAL 54 H VAL 54 -8.004 -0.647 6.410 425 HA VAL 54 HA VAL 54 -6.429 -0.914 4.179 426 HB VAL 54 HB VAL 54 -8.697 -2.589 5.255 427 1HG1 VAL 54 1HG1 VAL 54 -7.947 -4.421 3.686 428 2HG1 VAL 54 2HG1 VAL 54 -8.817 -3.118 2.882 429 3HG1 VAL 54 3HG1 VAL 54 -7.042 -3.192 2.772 430 1HG2 VAL 54 1HG2 VAL 54 -5.708 -3.052 4.927 431 2HG2 VAL 54 2HG2 VAL 54 -6.501 -2.547 6.436 432 3HG2 VAL 54 3HG2 VAL 54 -6.831 -4.148 5.749 433 H GLU 55 H GLU 55 -9.989 -0.475 4.147 434 HA GLU 55 HA GLU 55 -10.187 -0.915 1.359 435 1HB GLU 55 2HB GLU 55 -11.968 -0.862 3.302 436 2HB GLU 55 3HB GLU 55 -12.185 0.796 2.715 437 1HG GLU 55 2HG GLU 55 -12.384 -1.742 1.067 438 2HG GLU 55 3HG GLU 55 -13.763 -0.858 1.726 439 H GLU 56 H GLU 56 -9.706 2.128 3.242 440 HA GLU 56 HA GLU 56 -9.922 3.927 1.073 441 1HB GLU 56 2HB GLU 56 -9.272 4.079 3.864 442 2HB GLU 56 3HB GLU 56 -7.873 4.717 3.002 443 1HG GLU 56 2HG GLU 56 -10.730 5.631 2.445 444 2HG GLU 56 3HG GLU 56 -9.641 6.419 3.588 445 H MET 57 H MET 57 -7.001 2.248 2.521 446 HA MET 57 HA MET 57 -5.167 3.086 0.648 447 1HB MET 57 2HB MET 57 -5.192 0.303 1.692 448 2HB MET 57 3HB MET 57 -3.856 1.366 1.269 449 1HG MET 57 2HG MET 57 -4.773 2.898 3.193 450 2HG MET 57 3HG MET 57 -5.535 1.383 3.736 451 1HE MET 57 1HE MET 57 -4.212 -0.773 4.528 452 2HE MET 57 2HE MET 57 -3.513 -0.788 2.888 453 3HE MET 57 3HE MET 57 -2.454 -0.882 4.303 454 H LYS 58 H LYS 58 -7.076 0.000 0.376 455 HA LYS 58 HA LYS 58 -6.112 -0.572 -2.256 456 1HB LYS 58 2HB LYS 58 -6.790 -2.324 -1.533 457 2HB LYS 58 3HB LYS 58 -8.127 -1.731 -0.457 458 1HG LYS 58 2HG LYS 58 -8.492 -1.787 -3.491 459 2HG LYS 58 3HG LYS 58 -8.379 -3.297 -2.635 460 1HD LYS 58 2HD LYS 58 -10.232 -2.746 -1.161 461 2HD LYS 58 3HD LYS 58 -10.282 -1.078 -1.745 462 1HE LYS 58 2HE LYS 58 -10.909 -1.821 -3.994 463 2HE LYS 58 3HE LYS 58 -10.850 -3.520 -3.496 464 1HZ LYS 58 1HZ LYS 58 -12.602 -1.466 -2.294 465 2HZ LYS 58 2HZ LYS 58 -13.087 -2.515 -3.483 466 3HZ LYS 58 3HZ LYS 58 -12.654 -3.056 -1.981 467 H LYS 59 H LYS 59 -9.225 0.901 -1.335 468 HA LYS 59 HA LYS 59 -10.280 1.381 -3.831 469 1HB LYS 59 2HB LYS 59 -11.185 1.785 -1.498 470 2HB LYS 59 3HB LYS 59 -10.434 3.373 -1.548 471 1HG LYS 59 2HG LYS 59 -12.412 2.296 -3.615 472 2HG LYS 59 3HG LYS 59 -12.924 3.049 -2.101 473 1HD LYS 59 2HD LYS 59 -11.861 5.144 -2.643 474 2HD LYS 59 3HD LYS 59 -11.130 4.471 -4.118 475 1HE LYS 59 2HE LYS 59 -13.341 4.056 -5.099 476 2HE LYS 59 3HE LYS 59 -14.142 4.629 -3.626 477 1HZ LYS 59 1HZ LYS 59 -12.418 6.274 -5.358 478 2HZ LYS 59 2HZ LYS 59 -14.064 6.298 -5.353 479 3HZ LYS 59 3HZ LYS 59 -13.231 6.794 -4.023 480 H GLN 60 H GLN 60 -7.998 3.463 -1.965 481 HA GLN 60 HA GLN 60 -7.706 5.461 -4.025 482 1HB GLN 60 2HB GLN 60 -5.880 4.536 -1.831 483 2HB GLN 60 3HB GLN 60 -5.528 5.950 -2.819 484 1HG GLN 60 2HG GLN 60 -8.189 5.709 -1.340 485 2HG GLN 60 3HG GLN 60 -6.741 6.292 -0.531 486 1HE2 GLN 60 2HE2 GLN 60 -8.957 7.830 -0.610 487 2HE2 GLN 60 1HE2 GLN 60 -8.685 9.222 -1.673 488 H ILE 61 H ILE 61 -5.821 2.482 -3.329 489 HA ILE 61 HA ILE 61 -3.878 2.911 -5.406 490 HB ILE 61 HB ILE 61 -4.588 0.494 -3.756 491 1HG1 ILE 61 2HG1 ILE 61 -2.293 2.514 -3.776 492 2HG1 ILE 61 3HG1 ILE 61 -3.628 2.603 -2.672 493 1HG2 ILE 61 1HG2 ILE 61 -3.609 -0.275 -5.903 494 2HG2 ILE 61 2HG2 ILE 61 -2.310 0.924 -5.748 495 3HG2 ILE 61 3HG2 ILE 61 -2.432 -0.445 -4.617 496 1HD1 ILE 61 1HD1 ILE 61 -1.574 0.394 -2.765 497 2HD1 ILE 61 2HD1 ILE 61 -1.855 1.596 -1.492 498 3HD1 ILE 61 3HD1 ILE 61 -3.077 0.341 -1.801 499 H GLU 62 H GLU 62 -6.437 0.287 -5.254 500 HA GLU 62 HA GLU 62 -6.355 -0.382 -7.932 501 1HB GLU 62 2HB GLU 62 -7.986 -0.907 -5.594 502 2HB GLU 62 3HB GLU 62 -9.086 -0.350 -6.827 503 1HG GLU 62 2HG GLU 62 -8.162 -2.087 -8.335 504 2HG GLU 62 3HG GLU 62 -7.006 -2.570 -7.084 505 H ALA 63 H ALA 63 -8.062 2.494 -6.500 506 HA ALA 63 HA ALA 63 -9.548 3.151 -8.805 507 1HB ALA 63 1HB ALA 63 -9.321 5.530 -8.014 508 2HB ALA 63 2HB ALA 63 -9.914 4.396 -6.796 509 3HB ALA 63 3HB ALA 63 -8.209 4.940 -6.763 510 H MET 64 H MET 64 -6.030 3.538 -8.253 511 HA MET 64 HA MET 64 -5.478 5.286 -10.440 512 1HB MET 64 2HB MET 64 -3.852 2.982 -9.319 513 2HB MET 64 3HB MET 64 -3.287 4.275 -10.375 514 1HG MET 64 2HG MET 64 -4.144 4.552 -7.476 515 2HG MET 64 3HG MET 64 -2.552 4.713 -8.204 516 1HE MET 64 1HE MET 64 -2.663 6.916 -6.500 517 2HE MET 64 2HE MET 64 -1.554 6.904 -7.899 518 3HE MET 64 3HE MET 64 -2.537 8.341 -7.568 519 H GLY 65 H GLY 65 -5.849 1.739 -10.146 520 1HA GLY 65 1HA GLY 65 -7.037 0.846 -12.235 521 2HA GLY 65 2HA GLY 65 -5.579 1.370 -13.099 522 H PHE 66 H PHE 66 -4.062 0.671 -10.448 523 HA PHE 66 HA PHE 66 -3.099 -1.818 -11.490 524 1HB PHE 66 2HB PHE 66 -2.493 -0.362 -8.916 525 2HB PHE 66 3HB PHE 66 -1.478 -1.619 -9.649 526 HD1 PHE 66 1HD PHE 66 -0.638 -1.089 -12.142 527 HD2 PHE 66 2HD PHE 66 -2.002 1.868 -9.316 528 HE1 PHE 66 1HE PHE 66 0.337 0.717 -13.539 529 HE2 PHE 66 2HE PHE 66 -1.029 3.663 -10.724 530 HZ PHE 66 HZ PHE 66 0.030 3.091 -12.885 531 HA PRO 67 HA PRO 67 -6.029 -4.053 -8.751 532 1HB PRO 67 2HB PRO 67 -5.532 -6.617 -9.539 533 2HB PRO 67 3HB PRO 67 -6.494 -5.471 -10.517 534 1HG PRO 67 2HG PRO 67 -3.568 -6.160 -10.816 535 2HG PRO 67 3HG PRO 67 -4.803 -6.094 -12.106 536 1HD PRO 67 2HD PRO 67 -3.084 -4.035 -11.591 537 2HD PRO 67 3HD PRO 67 -4.765 -3.728 -12.125 538 H ALA 68 H ALA 68 -5.620 -4.797 -6.668 539 HA ALA 68 HA ALA 68 -2.872 -5.732 -6.031 540 1HB ALA 68 1HB ALA 68 -4.331 -3.622 -4.414 541 2HB ALA 68 2HB ALA 68 -2.712 -4.324 -4.160 542 3HB ALA 68 3HB ALA 68 -3.025 -3.277 -5.571 543 H PHE 69 H PHE 69 -2.804 -7.310 -4.637 544 HA PHE 69 HA PHE 69 -5.335 -8.415 -3.465 545 1HB PHE 69 2HB PHE 69 -2.808 -9.566 -4.456 546 2HB PHE 69 3HB PHE 69 -3.630 -10.418 -3.159 547 HD1 PHE 69 1HD PHE 69 -3.981 -9.291 -6.694 548 HD2 PHE 69 2HD PHE 69 -5.737 -11.548 -3.464 549 HE1 PHE 69 1HE PHE 69 -5.489 -10.434 -8.299 550 HE2 PHE 69 2HE PHE 69 -7.214 -12.710 -5.079 551 HZ PHE 69 HZ PHE 69 -7.087 -12.161 -7.498 552 H VAL 70 H VAL 70 -5.107 -6.632 -1.907 553 HA VAL 70 HA VAL 70 -3.142 -6.639 0.202 554 HB VAL 70 HB VAL 70 -4.340 -4.701 -0.318 555 1HG1 VAL 70 1HG1 VAL 70 -6.777 -5.933 0.957 556 2HG1 VAL 70 2HG1 VAL 70 -6.610 -4.339 0.199 557 3HG1 VAL 70 3HG1 VAL 70 -6.544 -5.809 -0.800 558 1HG2 VAL 70 1HG2 VAL 70 -4.881 -5.785 2.473 559 2HG2 VAL 70 2HG2 VAL 70 -3.362 -5.036 1.940 560 3HG2 VAL 70 3HG2 VAL 70 -4.850 -4.071 2.019 561 H LYS 71 H LYS 71 -2.730 -8.619 1.242 562 HA LYS 71 HA LYS 71 -4.869 -9.568 2.957 563 1HB LYS 71 2HB LYS 71 -4.779 -11.850 2.205 564 2HB LYS 71 3HB LYS 71 -5.538 -10.736 1.052 565 1HG LYS 71 2HG LYS 71 -3.584 -10.627 -0.274 566 2HG LYS 71 3HG LYS 71 -2.635 -11.531 0.900 567 1HD LYS 71 2HD LYS 71 -4.276 -13.479 0.578 568 2HD LYS 71 3HD LYS 71 -4.999 -12.560 -0.758 569 1HE LYS 71 2HE LYS 71 -2.760 -12.569 -1.916 570 2HE LYS 71 3HE LYS 71 -2.093 -13.509 -0.568 571 1HZ LYS 71 1HZ LYS 71 -4.238 -14.402 -2.382 572 2HZ LYS 71 2HZ LYS 71 -2.684 -14.932 -2.380 573 3HZ LYS 71 3HZ LYS 71 -3.662 -15.261 -1.103 574 H LYS 72 H LYS 72 -2.777 -8.401 4.075 575 HA LYS 72 HA LYS 72 -1.675 -10.619 5.569 576 1HB LYS 72 2HB LYS 72 -0.066 -9.787 3.457 577 2HB LYS 72 3HB LYS 72 0.432 -8.665 4.727 578 1HG LYS 72 2HG LYS 72 1.918 -10.414 4.985 579 2HG LYS 72 3HG LYS 72 0.696 -10.801 6.213 580 1HD LYS 72 2HD LYS 72 -0.439 -12.252 4.389 581 2HD LYS 72 3HD LYS 72 1.002 -12.014 3.409 582 1HE LYS 72 2HE LYS 72 0.770 -13.370 6.146 583 2HE LYS 72 3HE LYS 72 1.070 -14.164 4.591 584 1HZ LYS 72 1HZ LYS 72 2.889 -12.315 5.991 585 2HZ LYS 72 2HZ LYS 72 3.068 -13.935 5.855 586 3HZ LYS 72 3HZ LYS 72 3.196 -12.993 4.513 587 H ILE 73 H ILE 73 -1.464 -9.875 7.732 588 HA ILE 73 HA ILE 73 -1.434 -6.945 8.222 589 HB ILE 73 HB ILE 73 -3.444 -8.947 9.354 590 1HG1 ILE 73 2HG1 ILE 73 -3.983 -6.236 8.091 591 2HG1 ILE 73 3HG1 ILE 73 -3.925 -7.714 7.124 592 1HG2 ILE 73 1HG2 ILE 73 -4.205 -6.807 10.677 593 2HG2 ILE 73 2HG2 ILE 73 -2.804 -7.677 11.274 594 3HG2 ILE 73 3HG2 ILE 73 -2.584 -6.205 10.314 595 1HD1 ILE 73 1HD1 ILE 73 -5.900 -7.236 9.374 596 2HD1 ILE 73 2HD1 ILE 73 -6.206 -7.202 7.635 597 3HD1 ILE 73 3HD1 ILE 73 -5.728 -8.721 8.413 598 H GLU 74 H GLU 74 0.803 -7.340 8.611 599 HA GLU 74 HA GLU 74 1.391 -8.884 11.114 600 1HB GLU 74 2HB GLU 74 1.912 -9.840 8.541 601 2HB GLU 74 3HB GLU 74 3.452 -9.136 9.002 602 1HG GLU 74 2HG GLU 74 3.630 -11.322 9.780 603 2HG GLU 74 3HG GLU 74 3.114 -10.487 11.246 604 H GLY 75 H GLY 75 1.233 -6.636 11.927 605 1HA GLY 75 1HA GLY 75 3.206 -4.644 11.138 606 2HA GLY 75 2HA GLY 75 2.103 -4.585 12.520 607 H ARG 76 H ARG 76 4.157 -3.573 13.368 608 HA ARG 76 HA ARG 76 6.178 -5.417 14.476 609 1HB ARG 76 2HB ARG 76 5.440 -2.496 14.947 610 2HB ARG 76 3HB ARG 76 6.512 -3.395 16.017 611 1HG ARG 76 2HG ARG 76 7.974 -3.927 13.993 612 2HG ARG 76 3HG ARG 76 6.974 -2.792 13.070 613 1HD ARG 76 2HD ARG 76 8.956 -1.629 13.899 614 2HD ARG 76 3HD ARG 76 7.510 -1.011 14.731 615 HE ARG 76 HE ARG 76 8.694 -3.201 16.182 616 1HH1 ARG 76 1HH2 ARG 76 9.092 0.238 15.566 617 2HH1 ARG 76 2HH2 ARG 76 10.002 0.572 17.009 618 1HH2 ARG 76 1HH1 ARG 76 9.897 -2.821 18.114 619 2HH2 ARG 76 2HH1 ARG 76 10.471 -1.232 18.499 Start of MODEL 18 1 1H GLY 1 1H GLY 1 5.207 2.881 12.530 2 2H GLY 1 2H GLY 1 6.659 2.110 12.812 3 3H GLY 1 3H GLY 1 5.516 1.468 11.758 4 1HA GLY 1 1HA GLY 1 5.631 0.347 13.938 5 2HA GLY 1 2HA GLY 1 4.799 1.814 14.528 6 H GLU 2 H GLU 2 2.642 0.979 14.722 7 HA GLU 2 HA GLU 2 0.628 0.195 14.072 8 1HB GLU 2 2HB GLU 2 1.288 1.650 11.530 9 2HB GLU 2 3HB GLU 2 -0.220 1.445 12.463 10 1HG GLU 2 2HG GLU 2 2.209 3.080 13.269 11 2HG GLU 2 3HG GLU 2 0.601 3.702 12.893 12 H VAL 3 H VAL 3 -0.066 -0.192 11.022 13 HA VAL 3 HA VAL 3 0.546 -3.078 11.197 14 HB VAL 3 HB VAL 3 -1.488 -3.498 10.263 15 1HG1 VAL 3 1HG1 VAL 3 -2.909 -2.953 12.190 16 2HG1 VAL 3 2HG1 VAL 3 -1.293 -3.466 12.693 17 3HG1 VAL 3 3HG1 VAL 3 -1.717 -1.750 12.722 18 1HG2 VAL 3 1HG2 VAL 3 -3.254 -1.975 9.908 19 2HG2 VAL 3 2HG2 VAL 3 -2.251 -0.631 10.475 20 3HG2 VAL 3 3HG2 VAL 3 -1.838 -1.447 8.973 21 H VAL 4 H VAL 4 1.735 -3.947 9.642 22 HA VAL 4 HA VAL 4 2.262 -2.472 7.134 23 HB VAL 4 HB VAL 4 3.742 -4.357 8.711 24 1HG1 VAL 4 1HG1 VAL 4 3.258 -5.346 5.863 25 2HG1 VAL 4 2HG1 VAL 4 4.442 -5.986 7.025 26 3HG1 VAL 4 3HG1 VAL 4 2.717 -6.174 7.334 27 1HG2 VAL 4 1HG2 VAL 4 4.713 -2.423 7.650 28 2HG2 VAL 4 2HG2 VAL 4 5.526 -3.895 7.114 29 3HG2 VAL 4 3HG2 VAL 4 4.352 -3.116 6.039 30 H LEU 5 H LEU 5 0.968 -2.792 5.419 31 HA LEU 5 HA LEU 5 -0.771 -5.217 5.282 32 1HB LEU 5 2HB LEU 5 -1.083 -2.393 4.263 33 2HB LEU 5 3HB LEU 5 -1.879 -3.735 3.457 34 HG LEU 5 HG LEU 5 -3.231 -2.477 5.118 35 1HD1 LEU 5 1HD1 LEU 5 -4.262 -4.539 6.171 36 2HD1 LEU 5 2HD1 LEU 5 -4.103 -4.556 4.423 37 3HD1 LEU 5 3HD1 LEU 5 -2.969 -5.494 5.416 38 1HD2 LEU 5 1HD2 LEU 5 -1.709 -4.046 7.233 39 2HD2 LEU 5 2HD2 LEU 5 -1.488 -2.303 6.902 40 3HD2 LEU 5 3HD2 LEU 5 -3.043 -2.942 7.494 41 H LYS 6 H LYS 6 0.111 -6.731 3.920 42 HA LYS 6 HA LYS 6 2.040 -5.752 1.850 43 1HB LYS 6 2HB LYS 6 2.255 -7.890 3.677 44 2HB LYS 6 3HB LYS 6 1.793 -8.624 2.125 45 1HG LYS 6 2HG LYS 6 4.070 -8.666 2.061 46 2HG LYS 6 3HG LYS 6 3.684 -7.232 1.093 47 1HD LYS 6 2HD LYS 6 4.074 -5.820 3.153 48 2HD LYS 6 3HD LYS 6 4.577 -7.266 4.032 49 1HE LYS 6 2HE LYS 6 5.883 -6.095 1.528 50 2HE LYS 6 3HE LYS 6 6.524 -5.983 3.180 51 1HZ LYS 6 1HZ LYS 6 6.228 -8.386 1.503 52 2HZ LYS 6 2HZ LYS 6 7.622 -7.691 1.974 53 3HZ LYS 6 3HZ LYS 6 6.680 -8.450 3.094 54 H MET 7 H MET 7 0.959 -5.274 0.041 55 HA MET 7 HA MET 7 -1.231 -7.051 -0.837 56 1HB MET 7 2HB MET 7 -1.664 -4.993 -2.384 57 2HB MET 7 3HB MET 7 -2.295 -5.029 -0.740 58 1HG MET 7 2HG MET 7 -0.593 -3.611 0.102 59 2HG MET 7 3HG MET 7 0.186 -3.594 -1.484 60 1HE MET 7 1HE MET 7 -2.115 -1.825 0.886 61 2HE MET 7 2HE MET 7 -3.359 -1.059 -0.126 62 3HE MET 7 3HE MET 7 -3.398 -2.811 0.145 63 H LYS 8 H LYS 8 -0.820 -8.303 -2.509 64 HA LYS 8 HA LYS 8 1.686 -7.958 -4.048 65 1HB LYS 8 2HB LYS 8 -0.702 -9.792 -4.516 66 2HB LYS 8 3HB LYS 8 0.738 -9.679 -5.521 67 1HG LYS 8 2HG LYS 8 1.115 -11.482 -4.196 68 2HG LYS 8 3HG LYS 8 2.140 -10.197 -3.517 69 1HD LYS 8 2HD LYS 8 0.599 -9.940 -1.601 70 2HD LYS 8 3HD LYS 8 -0.598 -10.953 -2.416 71 1HE LYS 8 2HE LYS 8 0.392 -12.378 -0.792 72 2HE LYS 8 3HE LYS 8 1.133 -12.861 -2.324 73 1HZ LYS 8 1HZ LYS 8 2.332 -11.197 -0.199 74 2HZ LYS 8 2HZ LYS 8 2.853 -12.659 -0.737 75 3HZ LYS 8 3HZ LYS 8 3.037 -11.282 -1.600 76 H VAL 9 H VAL 9 1.681 -7.239 -6.290 77 HA VAL 9 HA VAL 9 -0.817 -5.987 -7.268 78 HB VAL 9 HB VAL 9 0.679 -4.143 -8.123 79 1HG1 VAL 9 1HG1 VAL 9 -0.888 -3.770 -6.266 80 2HG1 VAL 9 2HG1 VAL 9 0.336 -4.303 -5.093 81 3HG1 VAL 9 3HG1 VAL 9 0.589 -2.818 -6.027 82 1HG2 VAL 9 1HG2 VAL 9 2.881 -5.191 -7.726 83 2HG2 VAL 9 2HG2 VAL 9 2.761 -3.613 -6.944 84 3HG2 VAL 9 3HG2 VAL 9 2.629 -5.077 -5.970 85 H GLU 10 H GLU 10 -0.808 -5.886 -9.581 86 HA GLU 10 HA GLU 10 1.288 -7.587 -10.898 87 1HB GLU 10 2HB GLU 10 -1.618 -7.390 -11.669 88 2HB GLU 10 3HB GLU 10 -0.390 -8.410 -12.412 89 1HG GLU 10 2HG GLU 10 -1.226 -10.012 -11.024 90 2HG GLU 10 3HG GLU 10 -0.297 -9.160 -9.788 91 H GLY 11 H GLY 11 2.117 -6.832 -12.776 92 1HA GLY 11 1HA GLY 11 2.064 -5.650 -14.816 93 2HA GLY 11 2HA GLY 11 0.880 -4.510 -14.172 94 H MET 12 H MET 12 2.507 -4.143 -11.635 95 HA MET 12 HA MET 12 4.020 -1.877 -12.551 96 1HB MET 12 2HB MET 12 4.108 -3.248 -9.834 97 2HB MET 12 3HB MET 12 4.737 -1.644 -10.256 98 1HG MET 12 2HG MET 12 2.380 -0.946 -10.834 99 2HG MET 12 3HG MET 12 1.838 -2.540 -10.281 100 1HE MET 12 1HE MET 12 0.400 -0.199 -8.993 101 2HE MET 12 2HE MET 12 0.247 -1.926 -8.581 102 3HE MET 12 3HE MET 12 0.459 -0.738 -7.292 103 H THR 13 H THR 13 5.594 -2.655 -14.049 104 HA THR 13 HA THR 13 7.956 -3.973 -12.785 105 HB THR 13 HB THR 13 6.927 -4.319 -15.605 106 HG1 THR 13 1HG THR 13 6.287 -5.492 -13.195 107 1HG2 THR 13 1HG2 THR 13 9.029 -5.780 -13.951 108 2HG2 THR 13 2HG2 THR 13 8.410 -6.328 -15.528 109 3HG2 THR 13 3HG2 THR 13 9.324 -4.817 -15.419 110 H CYS 14 HN CYS 14 7.554 -1.224 -12.599 111 HA CYS 14 HA CYS 14 9.999 -0.288 -13.721 112 1HB CYS 14 2HB CYS 14 8.822 1.678 -14.925 113 2HB CYS 14 3HB CYS 14 8.904 0.116 -15.732 114 H HIS 15 H HIS 15 10.516 1.818 -12.819 115 HA HIS 15 HA HIS 15 9.609 1.850 -10.116 116 1HB HIS 15 2HB HIS 15 11.950 2.453 -11.171 117 2HB HIS 15 3HB HIS 15 11.290 4.094 -11.182 118 HD1 HIS 15 1HD HIS 15 11.702 1.149 -8.659 119 HD2 HIS 15 2HD HIS 15 11.550 5.353 -8.851 120 HE1 HIS 15 1HE HIS 15 12.175 2.005 -6.305 121 H SER 16 H SER 16 8.612 3.601 -12.985 122 HA SER 16 HA SER 16 7.634 5.951 -12.006 123 1HB SER 16 2HB SER 16 6.215 4.257 -14.104 124 2HB SER 16 3HB SER 16 6.344 6.023 -14.002 125 HG SER 16 HG SER 16 7.861 5.094 -15.485 126 H CYS 17 HN CYS 17 5.677 2.916 -12.335 127 HA CYS 17 HA CYS 17 3.301 4.012 -11.296 128 1HB CYS 17 2HB CYS 17 4.180 1.095 -11.168 129 2HB CYS 17 3HB CYS 17 2.531 1.722 -11.187 130 H THR 18 H THR 18 5.776 1.993 -9.772 131 HA THR 18 HA THR 18 4.732 1.840 -7.186 132 HB THR 18 HB THR 18 7.068 1.271 -6.534 133 HG1 THR 18 1HG THR 18 7.753 1.698 -9.240 134 1HG2 THR 18 1HG2 THR 18 6.436 0.011 -9.253 135 2HG2 THR 18 2HG2 THR 18 7.246 -0.723 -7.862 136 3HG2 THR 18 3HG2 THR 18 5.505 -0.374 -7.809 137 H SER 19 H SER 19 7.227 4.151 -8.376 138 HA SER 19 HA SER 19 7.308 5.823 -6.098 139 1HB SER 19 2HB SER 19 8.914 5.858 -7.970 140 2HB SER 19 3HB SER 19 7.678 6.561 -9.038 141 HG SER 19 HG SER 19 9.137 8.101 -8.036 142 H THR 20 H THR 20 5.102 6.121 -8.986 143 HA THR 20 HA THR 20 3.801 8.482 -8.170 144 HB THR 20 HB THR 20 2.812 6.080 -9.768 145 HG1 THR 20 1HG THR 20 3.915 8.611 -10.392 146 1HG2 THR 20 1HG2 THR 20 1.504 8.810 -9.426 147 2HG2 THR 20 2HG2 THR 20 1.094 7.620 -10.682 148 3HG2 THR 20 3HG2 THR 20 0.815 7.230 -8.982 149 H ILE 21 H ILE 21 2.958 5.036 -7.372 150 HA ILE 21 HA ILE 21 0.732 5.700 -5.687 151 HB ILE 21 HB ILE 21 2.500 3.352 -6.329 152 1HG1 ILE 21 2HG1 ILE 21 -0.485 3.384 -5.898 153 2HG1 ILE 21 3HG1 ILE 21 0.201 4.149 -7.329 154 1HG2 ILE 21 1HG2 ILE 21 1.438 1.994 -4.583 155 2HG2 ILE 21 2HG2 ILE 21 2.558 3.211 -3.962 156 3HG2 ILE 21 3HG2 ILE 21 0.785 3.485 -3.861 157 1HD1 ILE 21 1HD1 ILE 21 0.793 1.286 -6.543 158 2HD1 ILE 21 2HD1 ILE 21 -0.443 1.774 -7.713 159 3HD1 ILE 21 3HD1 ILE 21 1.271 2.105 -8.047 160 H GLU 22 H GLU 22 4.215 5.184 -5.025 161 HA GLU 22 HA GLU 22 4.055 5.569 -2.258 162 1HB GLU 22 2HB GLU 22 6.161 5.480 -4.317 163 2HB GLU 22 3HB GLU 22 6.636 6.435 -2.951 164 1HG GLU 22 2HG GLU 22 5.931 4.531 -1.452 165 2HG GLU 22 3HG GLU 22 5.405 3.628 -2.885 166 H GLY 23 H GLY 23 4.467 8.060 -4.759 167 1HA GLY 23 1HA GLY 23 4.430 10.338 -3.107 168 2HA GLY 23 2HA GLY 23 3.803 10.243 -4.761 169 H LYS 24 H LYS 24 1.639 8.677 -4.725 170 HA LYS 24 HA LYS 24 -0.278 10.444 -3.668 171 1HB LYS 24 2HB LYS 24 -0.457 8.673 -5.611 172 2HB LYS 24 3HB LYS 24 -0.944 7.564 -4.337 173 1HG LYS 24 2HG LYS 24 -2.988 8.390 -5.105 174 2HG LYS 24 3HG LYS 24 -2.699 9.388 -3.676 175 1HD LYS 24 2HD LYS 24 -1.722 11.169 -5.222 176 2HD LYS 24 3HD LYS 24 -2.142 10.129 -6.592 177 1HE LYS 24 2HE LYS 24 -4.564 10.214 -5.832 178 2HE LYS 24 3HE LYS 24 -4.081 11.347 -4.560 179 1HZ LYS 24 1HZ LYS 24 -3.840 11.802 -7.464 180 2HZ LYS 24 2HZ LYS 24 -4.935 12.494 -6.455 181 3HZ LYS 24 3HZ LYS 24 -3.340 12.856 -6.301 182 H ILE 25 H ILE 25 0.489 7.173 -2.578 183 HA ILE 25 HA ILE 25 -1.203 7.187 -0.272 184 HB ILE 25 HB ILE 25 1.177 5.500 -0.981 185 1HG1 ILE 25 2HG1 ILE 25 -0.662 5.153 -2.490 186 2HG1 ILE 25 3HG1 ILE 25 -0.377 3.757 -1.446 187 1HG2 ILE 25 1HG2 ILE 25 0.155 3.965 0.848 188 2HG2 ILE 25 2HG2 ILE 25 1.183 5.323 1.335 189 3HG2 ILE 25 3HG2 ILE 25 -0.583 5.452 1.469 190 1HD1 ILE 25 1HD1 ILE 25 -2.572 5.831 -1.221 191 2HD1 ILE 25 2HD1 ILE 25 -2.743 4.094 -1.493 192 3HD1 ILE 25 3HD1 ILE 25 -2.189 4.676 0.080 193 H GLY 26 H GLY 26 2.278 8.052 -0.654 194 1HA GLY 26 1HA GLY 26 2.908 8.651 1.984 195 2HA GLY 26 2HA GLY 26 3.499 9.527 0.563 196 H LYS 27 H LYS 27 0.822 10.523 -0.277 197 HA LYS 27 HA LYS 27 0.731 12.833 1.490 198 1HB LYS 27 2HB LYS 27 1.003 13.043 -0.884 199 2HB LYS 27 3HB LYS 27 -0.465 12.135 -1.220 200 1HG LYS 27 2HG LYS 27 -1.881 13.774 -0.507 201 2HG LYS 27 3HG LYS 27 -0.661 14.626 0.455 202 1HD LYS 27 2HD LYS 27 -0.401 14.361 -2.564 203 2HD LYS 27 3HD LYS 27 -1.386 15.655 -1.850 204 1HE LYS 27 2HE LYS 27 0.475 16.599 -0.658 205 2HE LYS 27 3HE LYS 27 1.519 15.217 -1.001 206 1HZ LYS 27 1HZ LYS 27 0.519 17.096 -3.031 207 2HZ LYS 27 2HZ LYS 27 2.029 17.085 -2.380 208 3HZ LYS 27 3HZ LYS 27 1.530 15.818 -3.297 209 H LEU 28 H LEU 28 -0.920 9.811 1.663 210 HA LEU 28 HA LEU 28 -3.572 10.925 2.274 211 1HB LEU 28 2HB LEU 28 -2.438 8.189 2.590 212 2HB LEU 28 3HB LEU 28 -4.080 8.726 2.883 213 HG LEU 28 HG LEU 28 -2.696 8.572 0.198 214 1HD1 LEU 28 1HD1 LEU 28 -3.947 6.636 1.260 215 2HD1 LEU 28 2HD1 LEU 28 -5.379 7.696 1.278 216 3HD1 LEU 28 3HD1 LEU 28 -4.668 7.181 -0.278 217 1HD2 LEU 28 1HD2 LEU 28 -3.765 10.735 0.041 218 2HD2 LEU 28 2HD2 LEU 28 -4.747 9.551 -0.821 219 3HD2 LEU 28 3HD2 LEU 28 -5.258 10.099 0.787 220 H GLN 29 H GLN 29 -4.308 11.366 4.274 221 HA GLN 29 HA GLN 29 -2.487 11.398 6.491 222 1HB GLN 29 2HB GLN 29 -4.326 12.339 7.770 223 2HB GLN 29 3HB GLN 29 -4.212 13.110 6.181 224 1HG GLN 29 2HG GLN 29 -6.015 11.402 5.430 225 2HG GLN 29 3HG GLN 29 -6.255 11.086 7.154 226 1HE2 GLN 29 2HE2 GLN 29 -8.163 12.248 5.187 227 2HE2 GLN 29 1HE2 GLN 29 -8.565 13.829 5.832 228 H GLY 30 H GLY 30 -1.973 9.709 7.750 229 1HA GLY 30 1HA GLY 30 -2.988 8.264 9.493 230 2HA GLY 30 2HA GLY 30 -3.984 7.532 8.248 231 H VAL 31 H VAL 31 -1.081 8.195 6.789 232 HA VAL 31 HA VAL 31 -0.291 5.417 7.057 233 HB VAL 31 HB VAL 31 -0.687 6.827 4.905 234 1HG1 VAL 31 1HG1 VAL 31 2.158 7.782 5.399 235 2HG1 VAL 31 2HG1 VAL 31 1.123 8.116 4.003 236 3HG1 VAL 31 3HG1 VAL 31 0.701 8.781 5.586 237 1HG2 VAL 31 1HG2 VAL 31 1.974 5.323 5.042 238 2HG2 VAL 31 2HG2 VAL 31 0.384 4.542 4.929 239 3HG2 VAL 31 3HG2 VAL 31 0.956 5.590 3.620 240 H GLN 32 H GLN 32 1.965 4.821 7.241 241 HA GLN 32 HA GLN 32 3.575 6.628 9.029 242 1HB GLN 32 2HB GLN 32 3.152 3.634 8.983 243 2HB GLN 32 3HB GLN 32 4.501 4.401 9.809 244 1HG GLN 32 2HG GLN 32 1.979 5.711 10.500 245 2HG GLN 32 3HG GLN 32 1.888 3.979 10.813 246 1HE2 GLN 32 2HE2 GLN 32 2.087 6.438 12.663 247 2HE2 GLN 32 1HE2 GLN 32 3.397 6.004 13.738 248 H ARG 33 H ARG 33 3.722 4.057 6.485 249 HA ARG 33 HA ARG 33 6.034 5.168 5.190 250 1HB ARG 33 2HB ARG 33 6.848 3.985 7.464 251 2HB ARG 33 3HB ARG 33 6.600 2.512 6.527 252 1HG ARG 33 2HG ARG 33 8.203 3.294 4.831 253 2HG ARG 33 3HG ARG 33 8.304 4.887 5.598 254 1HD ARG 33 2HD ARG 33 9.154 2.264 6.888 255 2HD ARG 33 3HD ARG 33 10.237 3.411 6.062 256 HE ARG 33 HE ARG 33 8.783 4.847 8.019 257 1HH1 ARG 33 1HH2 ARG 33 11.293 2.389 7.811 258 2HH1 ARG 33 2HH2 ARG 33 12.088 2.819 9.293 259 1HH2 ARG 33 1HH1 ARG 33 9.801 5.459 10.017 260 2HH2 ARG 33 2HH1 ARG 33 11.201 4.610 10.583 261 H ILE 34 H ILE 34 6.752 3.555 3.459 262 HA ILE 34 HA ILE 34 4.806 1.619 2.722 263 HB ILE 34 HB ILE 34 3.628 3.608 2.062 264 1HG1 ILE 34 2HG1 ILE 34 5.041 2.560 -0.387 265 2HG1 ILE 34 3HG1 ILE 34 3.783 1.674 0.453 266 1HG2 ILE 34 1HG2 ILE 34 6.221 4.570 0.783 267 2HG2 ILE 34 2HG2 ILE 34 4.648 5.361 0.576 268 3HG2 ILE 34 3HG2 ILE 34 5.380 5.288 2.165 269 1HD1 ILE 34 1HD1 ILE 34 3.243 4.372 -0.751 270 2HD1 ILE 34 2HD1 ILE 34 2.870 2.810 -1.503 271 3HD1 ILE 34 3HD1 ILE 34 2.111 3.273 0.027 272 H LYS 35 H LYS 35 5.793 0.276 1.234 273 HA LYS 35 HA LYS 35 8.270 0.977 0.029 274 1HB LYS 35 2HB LYS 35 8.117 -1.158 2.136 275 2HB LYS 35 3HB LYS 35 9.085 -1.460 0.701 276 1HG LYS 35 2HG LYS 35 9.463 0.920 2.538 277 2HG LYS 35 3HG LYS 35 10.349 -0.610 2.626 278 1HD LYS 35 2HD LYS 35 11.015 -0.206 0.141 279 2HD LYS 35 3HD LYS 35 10.323 1.398 0.339 280 1HE LYS 35 2HE LYS 35 12.633 1.698 0.677 281 2HE LYS 35 3HE LYS 35 11.904 1.792 2.286 282 1HZ LYS 35 1HZ LYS 35 13.263 -0.556 1.111 283 2HZ LYS 35 2HZ LYS 35 13.881 0.435 2.267 284 3HZ LYS 35 3HZ LYS 35 12.586 -0.522 2.611 285 H VAL 36 H VAL 36 7.478 0.886 -2.051 286 HA VAL 36 HA VAL 36 6.054 -1.590 -2.845 287 HB VAL 36 HB VAL 36 6.382 0.995 -4.375 288 1HG1 VAL 36 1HG1 VAL 36 4.446 -1.358 -4.649 289 2HG1 VAL 36 2HG1 VAL 36 4.463 0.087 -5.667 290 3HG1 VAL 36 3HG1 VAL 36 5.816 -1.069 -5.719 291 1HG2 VAL 36 1HG2 VAL 36 4.040 1.430 -3.682 292 2HG2 VAL 36 2HG2 VAL 36 4.094 0.022 -2.598 293 3HG2 VAL 36 3HG2 VAL 36 5.139 1.421 -2.301 294 H SER 37 H SER 37 6.947 -3.195 -3.989 295 HA SER 37 HA SER 37 9.623 -2.773 -5.249 296 1HB SER 37 2HB SER 37 8.402 -5.245 -4.135 297 2HB SER 37 3HB SER 37 10.057 -5.072 -4.755 298 HG SER 37 HG SER 37 9.813 -4.913 -2.398 299 H LEU 38 H LEU 38 9.905 -3.506 -7.351 300 HA LEU 38 HA LEU 38 7.462 -4.141 -8.884 301 1HB LEU 38 2HB LEU 38 9.044 -3.919 -10.832 302 2HB LEU 38 3HB LEU 38 8.499 -2.469 -10.006 303 HG LEU 38 HG LEU 38 11.153 -3.656 -9.212 304 1HD1 LEU 38 1HD1 LEU 38 11.224 -3.626 -11.662 305 2HD1 LEU 38 2HD1 LEU 38 10.655 -1.942 -11.674 306 3HD1 LEU 38 3HD1 LEU 38 12.246 -2.344 -10.992 307 1HD2 LEU 38 1HD2 LEU 38 10.159 -0.782 -9.530 308 2HD2 LEU 38 2HD2 LEU 38 10.162 -1.649 -7.993 309 3HD2 LEU 38 3HD2 LEU 38 11.698 -1.299 -8.803 310 H ASP 39 H ASP 39 10.747 -5.476 -8.242 311 HA ASP 39 HA ASP 39 10.846 -7.522 -10.007 312 1HB ASP 39 2HB ASP 39 11.818 -7.850 -7.127 313 2HB ASP 39 3HB ASP 39 12.498 -8.510 -8.595 314 H ASN 40 H ASN 40 9.888 -7.873 -6.606 315 HA ASN 40 HA ASN 40 8.733 -10.460 -7.185 316 1HB ASN 40 2HB ASN 40 10.186 -10.054 -5.203 317 2HB ASN 40 3HB ASN 40 8.833 -9.126 -4.533 318 1HD2 ASN 40 2HD2 ASN 40 8.420 -10.580 -2.754 319 2HD2 ASN 40 1HD2 ASN 40 7.874 -12.225 -3.035 320 H GLN 41 H GLN 41 7.581 -7.704 -7.991 321 HA GLN 41 HA GLN 41 5.902 -6.293 -7.657 322 1HB GLN 41 2HB GLN 41 5.615 -8.490 -9.322 323 2HB GLN 41 3HB GLN 41 4.024 -8.392 -8.610 324 1HG GLN 41 2HG GLN 41 3.579 -6.332 -9.656 325 2HG GLN 41 3HG GLN 41 5.254 -5.796 -9.592 326 1HE2 GLN 41 2HE2 GLN 41 6.856 -7.024 -10.937 327 2HE2 GLN 41 1HE2 GLN 41 6.315 -7.447 -12.571 328 H GLU 42 H GLU 42 6.188 -6.280 -5.301 329 HA GLU 42 HA GLU 42 3.621 -6.892 -3.974 330 1HB GLU 42 2HB GLU 42 5.239 -8.716 -3.431 331 2HB GLU 42 3HB GLU 42 6.318 -7.511 -2.699 332 1HG GLU 42 2HG GLU 42 4.657 -6.960 -1.017 333 2HG GLU 42 3HG GLU 42 3.408 -7.893 -1.859 334 H ALA 43 H ALA 43 2.936 -5.377 -2.626 335 HA ALA 43 HA ALA 43 4.489 -2.862 -2.439 336 1HB ALA 43 1HB ALA 43 1.559 -3.326 -3.035 337 2HB ALA 43 2HB ALA 43 2.293 -1.735 -2.719 338 3HB ALA 43 3HB ALA 43 2.773 -2.706 -4.124 339 H THR 44 H THR 44 5.011 -2.352 -0.440 340 HA THR 44 HA THR 44 3.546 -3.446 1.892 341 HB THR 44 HB THR 44 6.113 -1.722 1.735 342 HG1 THR 44 1HG THR 44 6.618 -3.377 0.522 343 1HG2 THR 44 1HG2 THR 44 5.103 -3.732 3.807 344 2HG2 THR 44 2HG2 THR 44 6.655 -2.873 3.873 345 3HG2 THR 44 3HG2 THR 44 5.138 -1.966 3.994 346 H ILE 45 H ILE 45 1.859 -2.193 2.608 347 HA ILE 45 HA ILE 45 2.351 0.788 2.587 348 HB ILE 45 HB ILE 45 -0.236 -0.774 2.244 349 1HG1 ILE 45 2HG1 ILE 45 -0.346 0.697 0.186 350 2HG1 ILE 45 3HG1 ILE 45 1.333 1.179 0.506 351 1HG2 ILE 45 1HG2 ILE 45 -0.615 1.133 3.737 352 2HG2 ILE 45 2HG2 ILE 45 0.298 2.206 2.653 353 3HG2 ILE 45 3HG2 ILE 45 -1.245 1.506 2.127 354 1HD1 ILE 45 1HD1 ILE 45 0.762 -1.725 0.168 355 2HD1 ILE 45 2HD1 ILE 45 0.722 -0.653 -1.257 356 3HD1 ILE 45 3HD1 ILE 45 2.187 -0.762 -0.305 357 H VAL 46 H VAL 46 2.772 1.531 4.580 358 HA VAL 46 HA VAL 46 1.890 -0.155 6.880 359 HB VAL 46 HB VAL 46 4.081 1.914 7.048 360 1HG1 VAL 46 1HG1 VAL 46 4.793 0.457 8.885 361 2HG1 VAL 46 2HG1 VAL 46 3.103 0.942 9.126 362 3HG1 VAL 46 3HG1 VAL 46 3.487 -0.682 8.519 363 1HG2 VAL 46 1HG2 VAL 46 4.879 0.529 5.250 364 2HG2 VAL 46 2HG2 VAL 46 5.623 -0.113 6.726 365 3HG2 VAL 46 3HG2 VAL 46 4.201 -0.915 6.016 366 H TYR 47 H TYR 47 0.207 0.648 8.077 367 HA TYR 47 HA TYR 47 -0.086 3.587 8.252 368 1HB TYR 47 2HB TYR 47 -2.143 3.730 7.232 369 2HB TYR 47 3HB TYR 47 -1.369 2.539 6.209 370 HD1 TYR 47 1HD TYR 47 -2.180 0.147 6.273 371 HD2 TYR 47 2HD TYR 47 -3.952 3.198 8.745 372 HE1 TYR 47 1HE TYR 47 -4.221 -1.249 6.600 373 HE2 TYR 47 2HE TYR 47 -5.919 1.754 9.115 374 HH TYR 47 HH TYR 47 -6.045 -1.586 8.084 375 H GLN 48 H GLN 48 -1.849 4.262 9.639 376 HA GLN 48 HA GLN 48 -1.614 2.896 12.230 377 1HB GLN 48 2HB GLN 48 -0.968 5.215 11.866 378 2HB GLN 48 3HB GLN 48 -2.584 5.626 11.352 379 1HG GLN 48 2HG GLN 48 -3.449 5.557 13.509 380 2HG GLN 48 3HG GLN 48 -2.434 4.202 13.994 381 1HE2 GLN 48 2HE2 GLN 48 -0.783 4.599 15.382 382 2HE2 GLN 48 1HE2 GLN 48 -0.205 6.219 15.779 383 HA PRO 49 HA PRO 49 -5.832 1.457 11.274 384 1HB PRO 49 2HB PRO 49 -6.179 -0.431 13.186 385 2HB PRO 49 3HB PRO 49 -5.036 -0.644 11.831 386 1HG PRO 49 2HG PRO 49 -4.384 0.403 14.607 387 2HG PRO 49 3HG PRO 49 -3.622 -0.976 13.770 388 1HD PRO 49 2HD PRO 49 -2.477 1.434 13.661 389 2HD PRO 49 3HD PRO 49 -2.574 0.497 12.185 390 H HIS 50 H HIS 50 -6.281 3.701 11.833 391 HA HIS 50 HA HIS 50 -8.650 3.815 13.349 392 1HB HIS 50 2HB HIS 50 -6.192 4.951 14.722 393 2HB HIS 50 3HB HIS 50 -7.709 5.845 14.820 394 HD1 HIS 50 1HD HIS 50 -6.009 3.699 17.007 395 HD2 HIS 50 2HD HIS 50 -9.917 3.864 15.456 396 HE1 HIS 50 1HE HIS 50 -7.518 2.498 18.682 397 H LEU 51 H LEU 51 -5.864 5.690 12.067 398 HA LEU 51 HA LEU 51 -7.456 8.023 11.523 399 1HB LEU 51 2HB LEU 51 -4.842 7.133 10.450 400 2HB LEU 51 3HB LEU 51 -5.504 8.744 10.188 401 HG LEU 51 HG LEU 51 -4.949 7.569 12.966 402 1HD1 LEU 51 1HD1 LEU 51 -3.029 9.112 13.072 403 2HD1 LEU 51 2HD1 LEU 51 -2.827 7.944 11.760 404 3HD1 LEU 51 3HD1 LEU 51 -3.319 9.616 11.401 405 1HD2 LEU 51 1HD2 LEU 51 -5.679 10.395 12.094 406 2HD2 LEU 51 2HD2 LEU 51 -6.667 9.306 13.096 407 3HD2 LEU 51 3HD2 LEU 51 -5.149 9.939 13.725 408 H ILE 52 H ILE 52 -6.388 5.259 9.547 409 HA ILE 52 HA ILE 52 -8.316 5.984 7.462 410 HB ILE 52 HB ILE 52 -5.729 6.775 7.219 411 1HG1 ILE 52 2HG1 ILE 52 -7.847 6.120 5.293 412 2HG1 ILE 52 3HG1 ILE 52 -7.093 7.608 5.847 413 1HG2 ILE 52 1HG2 ILE 52 -4.441 5.522 5.832 414 2HG2 ILE 52 2HG2 ILE 52 -4.822 4.507 7.222 415 3HG2 ILE 52 3HG2 ILE 52 -5.652 4.224 5.645 416 1HD1 ILE 52 1HD1 ILE 52 -5.836 5.721 3.831 417 2HD1 ILE 52 2HD1 ILE 52 -6.586 7.288 3.491 418 3HD1 ILE 52 3HD1 ILE 52 -5.109 7.221 4.464 419 H SER 53 H SER 53 -7.994 3.928 5.722 420 HA SER 53 HA SER 53 -7.992 1.441 7.350 421 1HB SER 53 2HB SER 53 -10.213 0.879 6.435 422 2HB SER 53 3HB SER 53 -10.287 2.378 7.382 423 HG SER 53 HG SER 53 -11.352 2.661 5.379 424 H VAL 54 H VAL 54 -7.687 -0.425 6.131 425 HA VAL 54 HA VAL 54 -6.132 -0.672 3.902 426 HB VAL 54 HB VAL 54 -8.506 -2.341 4.766 427 1HG1 VAL 54 1HG1 VAL 54 -7.528 -4.157 3.312 428 2HG1 VAL 54 2HG1 VAL 54 -8.259 -2.849 2.389 429 3HG1 VAL 54 3HG1 VAL 54 -6.490 -2.926 2.562 430 1HG2 VAL 54 1HG2 VAL 54 -6.574 -2.358 6.292 431 2HG2 VAL 54 2HG2 VAL 54 -6.697 -3.918 5.469 432 3HG2 VAL 54 3HG2 VAL 54 -5.499 -2.731 4.925 433 H GLU 55 H GLU 55 -9.681 -0.269 3.882 434 HA GLU 55 HA GLU 55 -9.951 -0.617 1.100 435 1HB GLU 55 2HB GLU 55 -11.739 -0.962 2.722 436 2HB GLU 55 3HB GLU 55 -11.755 0.774 3.037 437 1HG GLU 55 2HG GLU 55 -12.126 -0.077 0.179 438 2HG GLU 55 3HG GLU 55 -13.434 -0.477 1.298 439 H GLU 56 H GLU 56 -9.568 2.488 2.970 440 HA GLU 56 HA GLU 56 -9.862 4.182 0.713 441 1HB GLU 56 2HB GLU 56 -9.156 4.505 3.492 442 2HB GLU 56 3HB GLU 56 -7.831 5.179 2.547 443 1HG GLU 56 2HG GLU 56 -10.746 5.905 2.056 444 2HG GLU 56 3HG GLU 56 -9.659 6.807 3.118 445 H MET 57 H MET 57 -6.955 2.585 2.209 446 HA MET 57 HA MET 57 -5.108 3.516 0.385 447 1HB MET 57 2HB MET 57 -4.827 0.766 1.438 448 2HB MET 57 3HB MET 57 -3.657 2.051 1.208 449 1HG MET 57 2HG MET 57 -5.252 3.227 3.117 450 2HG MET 57 3HG MET 57 -5.419 1.499 3.481 451 1HE MET 57 1HE MET 57 -1.642 4.035 3.910 452 2HE MET 57 2HE MET 57 -2.401 3.772 2.324 453 3HE MET 57 3HE MET 57 -3.268 4.675 3.589 454 H LYS 58 H LYS 58 -6.864 0.336 0.099 455 HA LYS 58 HA LYS 58 -5.898 -0.157 -2.556 456 1HB LYS 58 2HB LYS 58 -6.520 -1.982 -1.803 457 2HB LYS 58 3HB LYS 58 -7.905 -1.392 -0.766 458 1HG LYS 58 2HG LYS 58 -9.250 -1.288 -2.828 459 2HG LYS 58 3HG LYS 58 -7.908 -1.885 -3.806 460 1HD LYS 58 2HD LYS 58 -8.941 -3.440 -1.403 461 2HD LYS 58 3HD LYS 58 -9.764 -3.551 -2.958 462 1HE LYS 58 2HE LYS 58 -6.786 -3.948 -3.034 463 2HE LYS 58 3HE LYS 58 -7.709 -5.213 -2.215 464 1HZ LYS 58 1HZ LYS 58 -8.396 -4.274 -4.912 465 2HZ LYS 58 2HZ LYS 58 -7.316 -5.459 -4.669 466 3HZ LYS 58 3HZ LYS 58 -8.890 -5.653 -4.190 467 H LYS 59 H LYS 59 -9.080 1.130 -1.580 468 HA LYS 59 HA LYS 59 -10.180 1.470 -4.077 469 1HB LYS 59 2HB LYS 59 -11.105 1.876 -1.750 470 2HB LYS 59 3HB LYS 59 -10.512 3.519 -1.863 471 1HG LYS 59 2HG LYS 59 -12.324 2.256 -3.978 472 2HG LYS 59 3HG LYS 59 -12.972 2.839 -2.461 473 1HD LYS 59 2HD LYS 59 -13.040 4.924 -3.078 474 2HD LYS 59 3HD LYS 59 -11.338 4.985 -3.503 475 1HE LYS 59 2HE LYS 59 -13.425 3.731 -5.361 476 2HE LYS 59 3HE LYS 59 -13.155 5.475 -5.344 477 1HZ LYS 59 1HZ LYS 59 -10.889 3.637 -5.752 478 2HZ LYS 59 2HZ LYS 59 -11.828 4.172 -7.006 479 3HZ LYS 59 3HZ LYS 59 -10.990 5.219 -6.052 480 H GLN 60 H GLN 60 -7.948 3.646 -2.313 481 HA GLN 60 HA GLN 60 -7.755 5.568 -4.484 482 1HB GLN 60 2HB GLN 60 -5.891 4.925 -2.205 483 2HB GLN 60 3HB GLN 60 -5.646 6.262 -3.319 484 1HG GLN 60 2HG GLN 60 -8.188 5.928 -1.664 485 2HG GLN 60 3HG GLN 60 -6.806 6.886 -1.145 486 1HE2 GLN 60 2HE2 GLN 60 -9.395 7.851 -1.368 487 2HE2 GLN 60 1HE2 GLN 60 -9.450 9.058 -2.668 488 H ILE 61 H ILE 61 -5.561 2.808 -3.596 489 HA ILE 61 HA ILE 61 -3.756 3.206 -5.797 490 HB ILE 61 HB ILE 61 -4.358 0.713 -4.202 491 1HG1 ILE 61 2HG1 ILE 61 -2.209 2.899 -4.092 492 2HG1 ILE 61 3HG1 ILE 61 -3.499 2.698 -2.956 493 1HG2 ILE 61 1HG2 ILE 61 -2.265 -0.167 -5.121 494 2HG2 ILE 61 2HG2 ILE 61 -3.294 0.233 -6.481 495 3HG2 ILE 61 3HG2 ILE 61 -1.993 1.341 -6.023 496 1HD1 ILE 61 1HD1 ILE 61 -1.234 0.754 -3.383 497 2HD1 ILE 61 2HD1 ILE 61 -1.564 1.752 -1.955 498 3HD1 ILE 61 3HD1 ILE 61 -2.677 0.433 -2.376 499 H GLU 62 H GLU 62 -6.351 0.611 -5.556 500 HA GLU 62 HA GLU 62 -6.135 -0.091 -8.228 501 1HB GLU 62 2HB GLU 62 -7.804 -0.680 -5.892 502 2HB GLU 62 3HB GLU 62 -8.853 -0.397 -7.242 503 1HG GLU 62 2HG GLU 62 -7.722 -2.123 -8.519 504 2HG GLU 62 3HG GLU 62 -6.361 -2.134 -7.382 505 H ALA 63 H ALA 63 -7.688 2.848 -6.997 506 HA ALA 63 HA ALA 63 -9.303 3.404 -9.268 507 1HB ALA 63 1HB ALA 63 -9.090 5.728 -8.702 508 2HB ALA 63 2HB ALA 63 -9.165 4.821 -7.183 509 3HB ALA 63 3HB ALA 63 -7.614 5.440 -7.774 510 H MET 64 H MET 64 -5.754 3.558 -8.860 511 HA MET 64 HA MET 64 -5.118 5.051 -11.200 512 1HB MET 64 2HB MET 64 -3.617 2.859 -9.724 513 2HB MET 64 3HB MET 64 -2.954 3.913 -10.981 514 1HG MET 64 2HG MET 64 -3.946 4.754 -8.233 515 2HG MET 64 3HG MET 64 -2.287 4.653 -8.811 516 1HE MET 64 1HE MET 64 -1.614 6.998 -7.999 517 2HE MET 64 2HE MET 64 -2.571 8.458 -8.330 518 3HE MET 64 3HE MET 64 -3.246 7.167 -7.303 519 H GLY 65 H GLY 65 -5.952 1.635 -10.620 520 1HA GLY 65 1HA GLY 65 -7.117 0.588 -12.555 521 2HA GLY 65 2HA GLY 65 -5.713 1.015 -13.548 522 H PHE 66 H PHE 66 -4.013 0.521 -11.004 523 HA PHE 66 HA PHE 66 -3.112 -2.053 -11.778 524 1HB PHE 66 2HB PHE 66 -2.622 -0.433 -9.267 525 2HB PHE 66 3HB PHE 66 -1.591 -1.748 -9.872 526 HD1 PHE 66 1HD PHE 66 -0.965 -1.265 -12.576 527 HD2 PHE 66 2HD PHE 66 -1.728 1.677 -9.514 528 HE1 PHE 66 1HE PHE 66 0.181 0.469 -13.936 529 HE2 PHE 66 2HE PHE 66 -0.510 3.375 -10.841 530 HZ PHE 66 HZ PHE 66 0.332 2.798 -13.101 531 HA PRO 67 HA PRO 67 -6.086 -4.146 -8.933 532 1HB PRO 67 2HB PRO 67 -5.376 -6.748 -9.395 533 2HB PRO 67 3HB PRO 67 -6.358 -5.803 -10.558 534 1HG PRO 67 2HG PRO 67 -3.364 -6.242 -10.575 535 2HG PRO 67 3HG PRO 67 -4.496 -6.507 -11.932 536 1HD PRO 67 2HD PRO 67 -3.047 -4.234 -11.679 537 2HD PRO 67 3HD PRO 67 -4.741 -4.141 -12.258 538 H ALA 68 H ALA 68 -5.759 -4.971 -6.792 539 HA ALA 68 HA ALA 68 -2.994 -5.798 -6.099 540 1HB ALA 68 1HB ALA 68 -3.139 -3.359 -5.622 541 2HB ALA 68 2HB ALA 68 -4.525 -3.663 -4.550 542 3HB ALA 68 3HB ALA 68 -2.926 -4.340 -4.155 543 H PHE 69 H PHE 69 -2.805 -7.303 -4.492 544 HA PHE 69 HA PHE 69 -5.337 -8.360 -3.248 545 1HB PHE 69 2HB PHE 69 -2.836 -9.670 -4.145 546 2HB PHE 69 3HB PHE 69 -3.925 -10.435 -2.999 547 HD1 PHE 69 1HD PHE 69 -3.446 -9.484 -6.545 548 HD2 PHE 69 2HD PHE 69 -6.256 -11.044 -3.652 549 HE1 PHE 69 1HE PHE 69 -4.805 -10.414 -8.367 550 HE2 PHE 69 2HE PHE 69 -7.595 -12.021 -5.495 551 HZ PHE 69 HZ PHE 69 -6.866 -11.724 -7.855 552 H VAL 70 H VAL 70 -5.116 -6.722 -1.619 553 HA VAL 70 HA VAL 70 -2.980 -6.708 0.343 554 HB VAL 70 HB VAL 70 -4.427 -4.811 -0.275 555 1HG1 VAL 70 1HG1 VAL 70 -6.372 -5.956 1.694 556 2HG1 VAL 70 2HG1 VAL 70 -6.525 -4.516 0.662 557 3HG1 VAL 70 3HG1 VAL 70 -6.562 -6.140 -0.069 558 1HG2 VAL 70 1HG2 VAL 70 -4.399 -4.016 2.102 559 2HG2 VAL 70 2HG2 VAL 70 -4.052 -5.695 2.601 560 3HG2 VAL 70 3HG2 VAL 70 -2.883 -4.797 1.615 561 H LYS 71 H LYS 71 -2.487 -8.644 1.344 562 HA LYS 71 HA LYS 71 -4.542 -9.675 3.137 563 1HB LYS 71 2HB LYS 71 -4.495 -11.918 2.295 564 2HB LYS 71 3HB LYS 71 -5.238 -10.767 1.178 565 1HG LYS 71 2HG LYS 71 -3.002 -10.580 0.045 566 2HG LYS 71 3HG LYS 71 -2.444 -11.904 1.055 567 1HD LYS 71 2HD LYS 71 -4.424 -13.290 0.204 568 2HD LYS 71 3HD LYS 71 -4.815 -11.957 -0.897 569 1HE LYS 71 2HE LYS 71 -2.540 -12.244 -1.962 570 2HE LYS 71 3HE LYS 71 -2.261 -13.640 -0.903 571 1HZ LYS 71 1HZ LYS 71 -4.383 -13.407 -2.947 572 2HZ LYS 71 2HZ LYS 71 -3.034 -14.333 -3.048 573 3HZ LYS 71 3HZ LYS 71 -4.186 -14.690 -1.935 574 H LYS 72 H LYS 72 -2.338 -8.463 4.033 575 HA LYS 72 HA LYS 72 -1.389 -10.587 5.756 576 1HB LYS 72 2HB LYS 72 0.497 -9.201 3.852 577 2HB LYS 72 3HB LYS 72 1.040 -9.639 5.476 578 1HG LYS 72 2HG LYS 72 0.194 -12.037 4.858 579 2HG LYS 72 3HG LYS 72 0.310 -11.459 3.183 580 1HD LYS 72 2HD LYS 72 2.683 -10.801 3.587 581 2HD LYS 72 3HD LYS 72 2.534 -11.324 5.278 582 1HE LYS 72 2HE LYS 72 1.969 -13.655 4.434 583 2HE LYS 72 3HE LYS 72 2.394 -13.106 2.804 584 1HZ LYS 72 1HZ LYS 72 4.186 -13.141 5.153 585 2HZ LYS 72 2HZ LYS 72 4.225 -14.201 3.903 586 3HZ LYS 72 3HZ LYS 72 4.616 -12.624 3.652 587 H ILE 73 H ILE 73 -2.199 -9.503 7.516 588 HA ILE 73 HA ILE 73 -1.493 -6.650 7.948 589 HB ILE 73 HB ILE 73 -3.291 -8.506 9.569 590 1HG1 ILE 73 2HG1 ILE 73 -5.036 -6.770 8.650 591 2HG1 ILE 73 3HG1 ILE 73 -3.861 -6.497 7.368 592 1HG2 ILE 73 1HG2 ILE 73 -4.036 -6.428 10.651 593 2HG2 ILE 73 2HG2 ILE 73 -2.306 -6.603 10.891 594 3HG2 ILE 73 3HG2 ILE 73 -2.910 -5.478 9.663 595 1HD1 ILE 73 1HD1 ILE 73 -5.124 -9.191 8.084 596 2HD1 ILE 73 2HD1 ILE 73 -5.712 -8.097 6.821 597 3HD1 ILE 73 3HD1 ILE 73 -4.136 -8.862 6.641 598 H GLU 74 H GLU 74 0.838 -7.437 7.938 599 HA GLU 74 HA GLU 74 1.618 -8.961 10.385 600 1HB GLU 74 2HB GLU 74 2.729 -9.443 8.223 601 2HB GLU 74 3HB GLU 74 3.516 -7.867 8.288 602 1HG GLU 74 2HG GLU 74 3.792 -9.833 10.581 603 2HG GLU 74 3HG GLU 74 4.789 -9.919 9.131 604 H GLY 75 H GLY 75 0.530 -7.397 11.673 605 1HA GLY 75 1HA GLY 75 2.004 -4.815 12.126 606 2HA GLY 75 2HA GLY 75 0.355 -5.191 12.664 607 H ARG 76 H ARG 76 2.731 -4.357 14.336 608 HA ARG 76 HA ARG 76 2.483 -6.200 16.467 609 1HB ARG 76 2HB ARG 76 4.814 -6.921 16.560 610 2HB ARG 76 3HB ARG 76 4.110 -7.493 15.039 611 1HG ARG 76 2HG ARG 76 5.097 -5.412 13.930 612 2HG ARG 76 3HG ARG 76 5.941 -5.095 15.455 613 1HD ARG 76 2HD ARG 76 6.996 -7.366 15.294 614 2HD ARG 76 3HD ARG 76 6.256 -7.581 13.705 615 HE ARG 76 HE ARG 76 8.523 -5.900 14.453 616 1HH1 ARG 76 1HH2 ARG 76 6.133 -6.563 11.857 617 2HH1 ARG 76 2HH2 ARG 76 6.699 -5.310 10.837 618 1HH2 ARG 76 1HH1 ARG 76 9.313 -4.277 13.080 619 2HH2 ARG 76 2HH1 ARG 76 8.613 -4.003 11.515 Start of MODEL 19 1 1H GLY 1 1H GLY 1 1.534 -2.297 16.821 2 2H GLY 1 2H GLY 1 0.668 -1.703 18.058 3 3H GLY 1 3H GLY 1 -0.026 -1.860 16.549 4 1HA GLY 1 1HA GLY 1 0.623 0.465 17.261 5 2HA GLY 1 2HA GLY 1 2.255 -0.096 16.813 6 H GLU 2 H GLU 2 2.425 1.078 14.824 7 HA GLU 2 HA GLU 2 0.629 1.231 12.683 8 1HB GLU 2 2HB GLU 2 3.666 0.826 12.772 9 2HB GLU 2 3HB GLU 2 2.742 1.247 11.328 10 1HG GLU 2 2HG GLU 2 3.714 3.246 12.151 11 2HG GLU 2 3HG GLU 2 1.961 3.328 12.415 12 H VAL 3 H VAL 3 0.132 -0.243 10.927 13 HA VAL 3 HA VAL 3 1.013 -3.019 11.335 14 HB VAL 3 HB VAL 3 -1.033 -3.747 10.615 15 1HG1 VAL 3 1HG1 VAL 3 -2.419 -3.202 12.537 16 2HG1 VAL 3 2HG1 VAL 3 -0.722 -3.358 13.024 17 3HG1 VAL 3 3HG1 VAL 3 -1.446 -1.748 12.846 18 1HG2 VAL 3 1HG2 VAL 3 -2.998 -2.210 10.358 19 2HG2 VAL 3 2HG2 VAL 3 -1.808 -0.885 10.269 20 3HG2 VAL 3 3HG2 VAL 3 -1.766 -2.198 9.079 21 H VAL 4 H VAL 4 1.900 -4.023 9.610 22 HA VAL 4 HA VAL 4 2.380 -2.564 7.155 23 HB VAL 4 HB VAL 4 4.060 -3.845 8.580 24 1HG1 VAL 4 1HG1 VAL 4 4.298 -6.166 8.106 25 2HG1 VAL 4 2HG1 VAL 4 2.626 -5.845 8.646 26 3HG1 VAL 4 3HG1 VAL 4 2.967 -6.100 6.914 27 1HG2 VAL 4 1HG2 VAL 4 4.704 -2.920 6.575 28 2HG2 VAL 4 2HG2 VAL 4 5.197 -4.616 6.460 29 3HG2 VAL 4 3HG2 VAL 4 3.724 -4.061 5.602 30 H LEU 5 H LEU 5 0.923 -2.637 5.538 31 HA LEU 5 HA LEU 5 -1.024 -4.844 5.312 32 1HB LEU 5 2HB LEU 5 -1.793 -2.509 5.428 33 2HB LEU 5 3HB LEU 5 -0.811 -2.080 4.042 34 HG LEU 5 HG LEU 5 -3.111 -4.062 3.939 35 1HD1 LEU 5 1HD1 LEU 5 -2.890 -1.123 3.146 36 2HD1 LEU 5 2HD1 LEU 5 -4.304 -2.155 2.849 37 3HD1 LEU 5 3HD1 LEU 5 -3.832 -1.760 4.509 38 1HD2 LEU 5 1HD2 LEU 5 -2.859 -3.383 1.422 39 2HD2 LEU 5 2HD2 LEU 5 -1.251 -2.796 1.881 40 3HD2 LEU 5 3HD2 LEU 5 -1.672 -4.515 2.062 41 H LYS 6 H LYS 6 -0.388 -6.411 3.774 42 HA LYS 6 HA LYS 6 1.736 -5.618 1.833 43 1HB LYS 6 2HB LYS 6 2.324 -7.257 3.734 44 2HB LYS 6 3HB LYS 6 1.214 -8.342 2.863 45 1HG LYS 6 2HG LYS 6 3.627 -7.098 1.527 46 2HG LYS 6 3HG LYS 6 3.667 -8.640 2.406 47 1HD LYS 6 2HD LYS 6 1.703 -9.427 0.951 48 2HD LYS 6 3HD LYS 6 1.923 -7.945 0.017 49 1HE LYS 6 2HE LYS 6 2.954 -9.665 -1.171 50 2HE LYS 6 3HE LYS 6 4.187 -8.524 -0.598 51 1HZ LYS 6 1HZ LYS 6 3.614 -11.162 0.605 52 2HZ LYS 6 2HZ LYS 6 4.783 -10.797 -0.491 53 3HZ LYS 6 3HZ LYS 6 4.854 -10.136 1.023 54 H MET 7 H MET 7 0.864 -5.470 -0.040 55 HA MET 7 HA MET 7 -1.282 -7.294 -0.919 56 1HB MET 7 2HB MET 7 -1.635 -5.432 -2.686 57 2HB MET 7 3HB MET 7 -2.316 -5.223 -1.066 58 1HG MET 7 2HG MET 7 -0.793 -3.647 -0.395 59 2HG MET 7 3HG MET 7 0.315 -4.044 -1.698 60 1HE MET 7 1HE MET 7 -3.048 -2.208 -0.756 61 2HE MET 7 2HE MET 7 -3.582 -1.637 -2.353 62 3HE MET 7 3HE MET 7 -3.592 -3.375 -1.992 63 H LYS 8 H LYS 8 -0.857 -8.448 -2.751 64 HA LYS 8 HA LYS 8 1.763 -8.106 -4.142 65 1HB LYS 8 2HB LYS 8 -0.656 -9.794 -4.903 66 2HB LYS 8 3HB LYS 8 0.798 -9.567 -5.854 67 1HG LYS 8 2HG LYS 8 1.225 -11.494 -4.908 68 2HG LYS 8 3HG LYS 8 2.144 -10.405 -3.863 69 1HD LYS 8 2HD LYS 8 0.564 -10.587 -2.073 70 2HD LYS 8 3HD LYS 8 -0.685 -11.259 -3.120 71 1HE LYS 8 2HE LYS 8 1.923 -12.656 -2.318 72 2HE LYS 8 3HE LYS 8 0.323 -12.990 -1.636 73 1HZ LYS 8 1HZ LYS 8 1.163 -13.450 -4.425 74 2HZ LYS 8 2HZ LYS 8 0.839 -14.594 -3.304 75 3HZ LYS 8 3HZ LYS 8 -0.375 -13.648 -3.892 76 H VAL 9 H VAL 9 1.768 -7.194 -6.384 77 HA VAL 9 HA VAL 9 -0.759 -6.019 -7.296 78 HB VAL 9 HB VAL 9 0.507 -4.044 -8.010 79 1HG1 VAL 9 1HG1 VAL 9 0.385 -2.816 -5.871 80 2HG1 VAL 9 2HG1 VAL 9 -0.982 -3.926 -6.062 81 3HG1 VAL 9 3HG1 VAL 9 0.360 -4.354 -4.983 82 1HG2 VAL 9 1HG2 VAL 9 2.659 -4.972 -6.070 83 2HG2 VAL 9 2HG2 VAL 9 2.796 -4.828 -7.840 84 3HG2 VAL 9 3HG2 VAL 9 2.597 -3.383 -6.843 85 H GLU 10 H GLU 10 -0.867 -6.054 -9.517 86 HA GLU 10 HA GLU 10 1.148 -7.851 -10.788 87 1HB GLU 10 2HB GLU 10 -1.622 -7.142 -11.759 88 2HB GLU 10 3HB GLU 10 -0.531 -8.359 -12.428 89 1HG GLU 10 2HG GLU 10 -1.693 -8.474 -9.596 90 2HG GLU 10 3HG GLU 10 -2.307 -9.355 -10.996 91 H GLY 11 H GLY 11 2.093 -7.292 -12.791 92 1HA GLY 11 1HA GLY 11 2.550 -6.030 -14.686 93 2HA GLY 11 2HA GLY 11 1.293 -4.879 -14.228 94 H MET 12 H MET 12 2.423 -4.261 -11.593 95 HA MET 12 HA MET 12 3.946 -2.025 -12.363 96 1HB MET 12 2HB MET 12 3.522 -3.300 -9.648 97 2HB MET 12 3HB MET 12 4.333 -1.743 -9.936 98 1HG MET 12 2HG MET 12 2.357 -0.751 -10.836 99 2HG MET 12 3HG MET 12 1.551 -2.298 -11.034 100 1HE MET 12 1HE MET 12 2.723 0.362 -8.311 101 2HE MET 12 2HE MET 12 2.073 -0.426 -6.852 102 3HE MET 12 3HE MET 12 3.428 -1.172 -7.726 103 H THR 13 H THR 13 5.676 -2.763 -13.612 104 HA THR 13 HA THR 13 8.134 -3.386 -12.087 105 HB THR 13 HB THR 13 7.158 -4.796 -14.574 106 HG1 THR 13 1HG THR 13 7.116 -5.303 -11.811 107 1HG2 THR 13 1HG2 THR 13 9.618 -5.183 -12.826 108 2HG2 THR 13 2HG2 THR 13 9.049 -6.343 -14.052 109 3HG2 THR 13 3HG2 THR 13 9.597 -4.736 -14.550 110 H CYS 14 HN CYS 14 7.799 -0.852 -12.481 111 HA CYS 14 HA CYS 14 10.082 -0.308 -14.072 112 1HB CYS 14 2HB CYS 14 9.167 1.391 -15.527 113 2HB CYS 14 3HB CYS 14 8.348 -0.126 -15.877 114 H HIS 15 H HIS 15 10.839 1.906 -13.496 115 HA HIS 15 HA HIS 15 9.946 2.733 -10.813 116 1HB HIS 15 2HB HIS 15 12.140 3.722 -12.668 117 2HB HIS 15 3HB HIS 15 11.770 4.442 -11.099 118 HD1 HIS 15 1HD HIS 15 13.582 1.448 -12.531 119 HD2 HIS 15 2HD HIS 15 12.203 2.976 -8.859 120 HE1 HIS 15 1HE HIS 15 14.774 0.135 -10.695 121 H SER 16 H SER 16 7.792 2.925 -12.263 122 HA SER 16 HA SER 16 7.343 5.857 -12.427 123 1HB SER 16 2HB SER 16 7.357 4.162 -14.756 124 2HB SER 16 3HB SER 16 5.680 4.640 -14.438 125 HG SER 16 HG SER 16 6.908 6.138 -15.724 126 H CYS 17 HN CYS 17 5.519 2.732 -12.815 127 HA CYS 17 HA CYS 17 3.191 3.681 -11.632 128 1HB CYS 17 2HB CYS 17 4.155 0.807 -11.378 129 2HB CYS 17 3HB CYS 17 2.507 1.442 -11.403 130 H THR 18 H THR 18 5.751 1.733 -10.040 131 HA THR 18 HA THR 18 4.731 1.816 -7.437 132 HB THR 18 HB THR 18 6.531 0.323 -7.910 133 HG1 THR 18 1HG THR 18 7.631 0.733 -6.005 134 1HG2 THR 18 1HG2 THR 18 8.490 2.652 -8.143 135 2HG2 THR 18 2HG2 THR 18 8.788 0.938 -8.404 136 3HG2 THR 18 3HG2 THR 18 7.806 1.833 -9.565 137 H SER 19 H SER 19 7.075 4.085 -8.910 138 HA SER 19 HA SER 19 7.377 5.728 -6.626 139 1HB SER 19 2HB SER 19 8.874 5.654 -8.659 140 2HB SER 19 3HB SER 19 7.623 6.519 -9.581 141 HG SER 19 HG SER 19 9.264 7.890 -8.680 142 H THR 20 H THR 20 5.051 5.971 -9.353 143 HA THR 20 HA THR 20 3.867 8.444 -8.606 144 HB THR 20 HB THR 20 2.597 6.011 -9.951 145 HG1 THR 20 1HG THR 20 4.362 6.784 -11.086 146 1HG2 THR 20 1HG2 THR 20 1.765 8.948 -9.919 147 2HG2 THR 20 2HG2 THR 20 1.053 7.681 -10.941 148 3HG2 THR 20 3HG2 THR 20 0.865 7.602 -9.181 149 H ILE 21 H ILE 21 3.028 5.035 -7.691 150 HA ILE 21 HA ILE 21 0.909 5.857 -5.938 151 HB ILE 21 HB ILE 21 2.313 3.350 -6.714 152 1HG1 ILE 21 2HG1 ILE 21 -0.513 3.703 -5.703 153 2HG1 ILE 21 3HG1 ILE 21 -0.021 4.284 -7.291 154 1HG2 ILE 21 1HG2 ILE 21 1.105 3.576 -3.954 155 2HG2 ILE 21 2HG2 ILE 21 1.530 2.062 -4.779 156 3HG2 ILE 21 3HG2 ILE 21 2.810 3.212 -4.369 157 1HD1 ILE 21 1HD1 ILE 21 0.239 1.381 -6.407 158 2HD1 ILE 21 2HD1 ILE 21 -1.034 2.069 -7.413 159 3HD1 ILE 21 3HD1 ILE 21 0.641 2.055 -8.003 160 H GLU 22 H GLU 22 4.369 5.063 -5.258 161 HA GLU 22 HA GLU 22 4.188 5.451 -2.532 162 1HB GLU 22 2HB GLU 22 6.272 4.975 -4.451 163 2HB GLU 22 3HB GLU 22 6.822 6.324 -3.483 164 1HG GLU 22 2HG GLU 22 6.233 4.973 -1.418 165 2HG GLU 22 3HG GLU 22 5.635 3.689 -2.499 166 H GLY 23 H GLY 23 4.931 7.910 -5.007 167 1HA GLY 23 1HA GLY 23 5.096 10.191 -3.380 168 2HA GLY 23 2HA GLY 23 4.479 10.149 -5.040 169 H LYS 24 H LYS 24 2.157 8.750 -4.933 170 HA LYS 24 HA LYS 24 0.431 10.745 -3.863 171 1HB LYS 24 2HB LYS 24 0.150 8.993 -5.850 172 2HB LYS 24 3HB LYS 24 -0.653 8.022 -4.633 173 1HG LYS 24 2HG LYS 24 -1.370 10.925 -5.286 174 2HG LYS 24 3HG LYS 24 -2.097 9.521 -6.062 175 1HD LYS 24 2HD LYS 24 -2.956 8.714 -3.859 176 2HD LYS 24 3HD LYS 24 -2.225 10.113 -3.070 177 1HE LYS 24 2HE LYS 24 -4.578 10.529 -3.358 178 2HE LYS 24 3HE LYS 24 -3.636 11.669 -4.326 179 1HZ LYS 24 1HZ LYS 24 -4.973 9.247 -5.368 180 2HZ LYS 24 2HZ LYS 24 -5.528 10.788 -5.512 181 3HZ LYS 24 3HZ LYS 24 -4.140 10.349 -6.267 182 H ILE 25 H ILE 25 0.766 7.350 -2.941 183 HA ILE 25 HA ILE 25 -1.028 7.517 -0.764 184 HB ILE 25 HB ILE 25 0.988 5.398 -1.393 185 1HG1 ILE 25 2HG1 ILE 25 -0.482 5.711 -3.233 186 2HG1 ILE 25 3HG1 ILE 25 -0.740 4.158 -2.431 187 1HG2 ILE 25 1HG2 ILE 25 -0.381 3.880 -0.024 188 2HG2 ILE 25 2HG2 ILE 25 0.290 5.188 0.958 189 3HG2 ILE 25 3HG2 ILE 25 -1.405 5.234 0.480 190 1HD1 ILE 25 1HD1 ILE 25 -2.423 6.660 -2.156 191 2HD1 ILE 25 2HD1 ILE 25 -2.851 5.198 -3.060 192 3HD1 ILE 25 3HD1 ILE 25 -2.706 5.127 -1.288 193 H GLY 26 H GLY 26 2.507 7.936 -0.987 194 1HA GLY 26 1HA GLY 26 3.245 8.095 1.685 195 2HA GLY 26 2HA GLY 26 3.854 9.133 0.385 196 H LYS 27 H LYS 27 1.122 10.356 -0.160 197 HA LYS 27 HA LYS 27 1.257 12.359 1.961 198 1HB LYS 27 2HB LYS 27 1.588 12.855 -0.424 199 2HB LYS 27 3HB LYS 27 -0.039 12.294 -0.798 200 1HG LYS 27 2HG LYS 27 -1.078 14.035 0.167 201 2HG LYS 27 3HG LYS 27 0.226 14.394 1.308 202 1HD LYS 27 2HD LYS 27 0.538 14.800 -1.701 203 2HD LYS 27 3HD LYS 27 -0.158 16.056 -0.658 204 1HE LYS 27 2HE LYS 27 1.869 16.136 0.725 205 2HE LYS 27 3HE LYS 27 2.611 14.823 -0.198 206 1HZ LYS 27 1HZ LYS 27 1.913 17.466 -1.286 207 2HZ LYS 27 2HZ LYS 27 3.418 16.952 -0.873 208 3HZ LYS 27 3HZ LYS 27 2.626 16.236 -2.120 209 H LEU 28 H LEU 28 -0.418 9.469 1.948 210 HA LEU 28 HA LEU 28 -3.096 10.441 2.423 211 1HB LEU 28 2HB LEU 28 -1.672 7.916 3.282 212 2HB LEU 28 3HB LEU 28 -3.361 8.279 3.542 213 HG LEU 28 HG LEU 28 -2.030 7.334 1.108 214 1HD1 LEU 28 1HD1 LEU 28 -4.166 6.198 0.819 215 2HD1 LEU 28 2HD1 LEU 28 -3.574 6.024 2.486 216 3HD1 LEU 28 3HD1 LEU 28 -4.871 7.188 2.120 217 1HD2 LEU 28 1HD2 LEU 28 -4.345 9.300 0.827 218 2HD2 LEU 28 2HD2 LEU 28 -2.696 9.531 0.187 219 3HD2 LEU 28 3HD2 LEU 28 -3.720 8.243 -0.449 220 H GLN 29 H GLN 29 -4.157 10.598 4.355 221 HA GLN 29 HA GLN 29 -2.567 11.538 6.643 222 1HB GLN 29 2HB GLN 29 -4.608 12.574 7.381 223 2HB GLN 29 3HB GLN 29 -4.228 12.979 5.703 224 1HG GLN 29 2HG GLN 29 -5.857 10.751 5.396 225 2HG GLN 29 3HG GLN 29 -6.539 11.483 6.843 226 1HE2 GLN 29 2HE2 GLN 29 -7.844 11.165 4.250 227 2HE2 GLN 29 1HE2 GLN 29 -8.170 12.784 3.663 228 H GLY 30 H GLY 30 -1.810 9.504 7.380 229 1HA GLY 30 1HA GLY 30 -2.884 8.115 9.414 230 2HA GLY 30 2HA GLY 30 -3.816 7.415 8.100 231 H VAL 31 H VAL 31 -1.140 7.897 6.430 232 HA VAL 31 HA VAL 31 -0.075 5.254 7.007 233 HB VAL 31 HB VAL 31 0.488 7.482 4.970 234 1HG1 VAL 31 1HG1 VAL 31 2.081 5.953 3.815 235 2HG1 VAL 31 2HG1 VAL 31 2.712 6.537 5.355 236 3HG1 VAL 31 3HG1 VAL 31 2.050 4.887 5.230 237 1HG2 VAL 31 1HG2 VAL 31 -1.481 5.880 4.684 238 2HG2 VAL 31 2HG2 VAL 31 -0.306 5.848 3.351 239 3HG2 VAL 31 3HG2 VAL 31 -0.263 4.579 4.589 240 H GLN 32 H GLN 32 2.033 4.817 7.609 241 HA GLN 32 HA GLN 32 3.573 7.036 8.882 242 1HB GLN 32 2HB GLN 32 2.837 4.285 9.867 243 2HB GLN 32 3HB GLN 32 4.383 4.961 10.338 244 1HG GLN 32 2HG GLN 32 1.769 6.328 10.748 245 2HG GLN 32 3HG GLN 32 2.648 5.448 12.005 246 1HE2 GLN 32 2HE2 GLN 32 1.907 8.223 12.237 247 2HE2 GLN 32 1HE2 GLN 32 3.410 9.129 12.299 248 H ARG 33 H ARG 33 3.707 4.020 6.885 249 HA ARG 33 HA ARG 33 6.016 5.114 5.589 250 1HB ARG 33 2HB ARG 33 6.791 3.817 7.795 251 2HB ARG 33 3HB ARG 33 6.538 2.381 6.811 252 1HG ARG 33 2HG ARG 33 8.272 2.957 5.304 253 2HG ARG 33 3HG ARG 33 8.116 4.690 5.653 254 1HD ARG 33 2HD ARG 33 8.943 4.191 8.000 255 2HD ARG 33 3HD ARG 33 9.471 2.607 7.378 256 HE ARG 33 HE ARG 33 10.445 4.466 5.559 257 1HH1 ARG 33 1HH2 ARG 33 10.843 3.949 9.018 258 2HH1 ARG 33 2HH2 ARG 33 12.246 4.958 9.185 259 1HH2 ARG 33 1HH1 ARG 33 12.279 5.862 5.732 260 2HH2 ARG 33 2HH1 ARG 33 13.105 6.041 7.244 261 H ILE 34 H ILE 34 6.727 3.538 3.819 262 HA ILE 34 HA ILE 34 4.662 1.805 2.859 263 HB ILE 34 HB ILE 34 3.663 3.947 2.364 264 1HG1 ILE 34 2HG1 ILE 34 4.958 2.913 -0.164 265 2HG1 ILE 34 3HG1 ILE 34 3.643 2.083 0.674 266 1HG2 ILE 34 1HG2 ILE 34 5.650 5.425 2.484 267 2HG2 ILE 34 2HG2 ILE 34 6.223 4.770 0.937 268 3HG2 ILE 34 3HG2 ILE 34 4.716 5.706 1.025 269 1HD1 ILE 34 1HD1 ILE 34 3.406 4.865 -0.513 270 2HD1 ILE 34 2HD1 ILE 34 2.707 3.368 -1.151 271 3HD1 ILE 34 3HD1 ILE 34 2.170 3.998 0.418 272 H LYS 35 H LYS 35 5.603 0.452 1.412 273 HA LYS 35 HA LYS 35 8.108 1.079 0.232 274 1HB LYS 35 2HB LYS 35 7.863 -1.146 2.236 275 2HB LYS 35 3HB LYS 35 8.826 -1.390 0.784 276 1HG LYS 35 2HG LYS 35 9.252 0.856 2.774 277 2HG LYS 35 3HG LYS 35 10.092 -0.703 2.780 278 1HD LYS 35 2HD LYS 35 10.796 -0.166 0.327 279 2HD LYS 35 3HD LYS 35 10.171 1.445 0.634 280 1HE LYS 35 2HE LYS 35 12.419 1.748 1.120 281 2HE LYS 35 3HE LYS 35 11.743 1.462 2.729 282 1HZ LYS 35 1HZ LYS 35 13.124 -0.504 1.010 283 2HZ LYS 35 2HZ LYS 35 13.721 0.173 2.381 284 3HZ LYS 35 3HZ LYS 35 12.451 -0.871 2.466 285 H VAL 36 H VAL 36 7.136 1.189 -1.805 286 HA VAL 36 HA VAL 36 5.553 -1.177 -2.661 287 HB VAL 36 HB VAL 36 5.822 1.540 -3.942 288 1HG1 VAL 36 1HG1 VAL 36 4.000 0.752 -5.400 289 2HG1 VAL 36 2HG1 VAL 36 5.416 -0.284 -5.628 290 3HG1 VAL 36 3HG1 VAL 36 4.062 -0.852 -4.652 291 1HG2 VAL 36 1HG2 VAL 36 3.762 0.106 -2.184 292 2HG2 VAL 36 2HG2 VAL 36 4.510 1.690 -1.941 293 3HG2 VAL 36 3HG2 VAL 36 3.313 1.457 -3.215 294 H SER 37 H SER 37 6.639 -2.881 -3.498 295 HA SER 37 HA SER 37 9.335 -2.472 -4.563 296 1HB SER 37 2HB SER 37 7.794 -5.006 -4.359 297 2HB SER 37 3HB SER 37 9.545 -4.797 -4.432 298 HG SER 37 HG SER 37 8.685 -5.229 -2.281 299 H LEU 38 H LEU 38 9.647 -3.935 -6.600 300 HA LEU 38 HA LEU 38 7.382 -3.797 -8.489 301 1HB LEU 38 2HB LEU 38 8.930 -2.887 -10.189 302 2HB LEU 38 3HB LEU 38 8.332 -1.762 -8.981 303 HG LEU 38 HG LEU 38 11.115 -2.962 -8.919 304 1HD1 LEU 38 1HD1 LEU 38 11.828 -0.794 -9.843 305 2HD1 LEU 38 2HD1 LEU 38 10.763 -1.660 -10.959 306 3HD1 LEU 38 3HD1 LEU 38 10.128 -0.300 -10.008 307 1HD2 LEU 38 1HD2 LEU 38 11.393 -0.703 -7.543 308 2HD2 LEU 38 2HD2 LEU 38 9.647 -0.886 -7.270 309 3HD2 LEU 38 3HD2 LEU 38 10.782 -2.142 -6.737 310 H ASP 39 H ASP 39 10.794 -4.810 -7.956 311 HA ASP 39 HA ASP 39 11.117 -6.710 -9.833 312 1HB ASP 39 2HB ASP 39 11.907 -7.249 -6.921 313 2HB ASP 39 3HB ASP 39 12.783 -7.649 -8.382 314 H ASN 40 H ASN 40 9.854 -7.309 -6.565 315 HA ASN 40 HA ASN 40 9.041 -9.962 -7.379 316 1HB ASN 40 2HB ASN 40 10.165 -9.348 -5.184 317 2HB ASN 40 3HB ASN 40 8.537 -8.912 -4.662 318 1HD2 ASN 40 2HD2 ASN 40 7.619 -10.639 -3.510 319 2HD2 ASN 40 1HD2 ASN 40 7.825 -12.329 -3.958 320 H GLN 41 H GLN 41 7.639 -7.275 -8.192 321 HA GLN 41 HA GLN 41 5.740 -6.203 -8.186 322 1HB GLN 41 2HB GLN 41 5.589 -8.813 -9.419 323 2HB GLN 41 3HB GLN 41 3.973 -8.394 -8.892 324 1HG GLN 41 2HG GLN 41 4.201 -6.205 -10.059 325 2HG GLN 41 3HG GLN 41 5.851 -6.645 -10.533 326 1HE2 GLN 41 2HE2 GLN 41 5.577 -6.679 -12.803 327 2HE2 GLN 41 1HE2 GLN 41 4.476 -7.795 -13.593 328 H GLU 42 H GLU 42 5.888 -5.747 -5.812 329 HA GLU 42 HA GLU 42 3.591 -6.786 -4.298 330 1HB GLU 42 2HB GLU 42 6.481 -7.517 -3.911 331 2HB GLU 42 3HB GLU 42 5.630 -7.045 -2.451 332 1HG GLU 42 2HG GLU 42 3.832 -8.678 -2.964 333 2HG GLU 42 3HG GLU 42 4.679 -9.155 -4.430 334 H ALA 43 H ALA 43 3.040 -5.492 -2.518 335 HA ALA 43 HA ALA 43 4.418 -2.885 -2.386 336 1HB ALA 43 1HB ALA 43 1.561 -3.392 -3.210 337 2HB ALA 43 2HB ALA 43 2.136 -1.802 -2.640 338 3HB ALA 43 3HB ALA 43 2.816 -2.573 -4.095 339 H THR 44 H THR 44 4.751 -2.200 -0.455 340 HA THR 44 HA THR 44 3.357 -3.365 1.900 341 HB THR 44 HB THR 44 5.915 -1.683 1.786 342 HG1 THR 44 1HG THR 44 6.427 -3.247 0.419 343 1HG2 THR 44 1HG2 THR 44 5.033 -3.980 3.599 344 2HG2 THR 44 2HG2 THR 44 6.485 -2.979 3.801 345 3HG2 THR 44 3HG2 THR 44 4.876 -2.252 4.001 346 H ILE 45 H ILE 45 1.813 -2.018 2.780 347 HA ILE 45 HA ILE 45 2.419 0.929 2.771 348 HB ILE 45 HB ILE 45 -0.279 -0.463 2.522 349 1HG1 ILE 45 2HG1 ILE 45 -0.399 1.059 0.495 350 2HG1 ILE 45 3HG1 ILE 45 1.351 1.284 0.619 351 1HG2 ILE 45 1HG2 ILE 45 -0.418 1.474 4.016 352 2HG2 ILE 45 2HG2 ILE 45 0.476 2.473 2.845 353 3HG2 ILE 45 3HG2 ILE 45 -1.133 1.844 2.444 354 1HD1 ILE 45 1HD1 ILE 45 0.067 -1.456 0.324 355 2HD1 ILE 45 2HD1 ILE 45 0.383 -0.399 -1.066 356 3HD1 ILE 45 3HD1 ILE 45 1.729 -0.959 -0.094 357 H VAL 46 H VAL 46 2.966 1.531 4.803 358 HA VAL 46 HA VAL 46 2.141 -0.245 7.047 359 HB VAL 46 HB VAL 46 4.369 1.755 7.275 360 1HG1 VAL 46 1HG1 VAL 46 3.409 0.562 9.257 361 2HG1 VAL 46 2HG1 VAL 46 3.866 -0.982 8.516 362 3HG1 VAL 46 3HG1 VAL 46 5.118 0.189 8.975 363 1HG2 VAL 46 1HG2 VAL 46 5.877 -0.258 6.695 364 2HG2 VAL 46 2HG2 VAL 46 4.424 -0.938 5.922 365 3HG2 VAL 46 3HG2 VAL 46 5.111 0.579 5.331 366 H TYR 47 H TYR 47 0.401 0.536 8.127 367 HA TYR 47 HA TYR 47 0.119 3.502 8.318 368 1HB TYR 47 2HB TYR 47 -2.011 3.478 7.328 369 2HB TYR 47 3HB TYR 47 -1.081 2.419 6.284 370 HD1 TYR 47 1HD TYR 47 -1.364 -0.165 6.606 371 HD2 TYR 47 2HD TYR 47 -3.920 2.709 8.536 372 HE1 TYR 47 1HE TYR 47 -3.109 -1.908 6.982 373 HE2 TYR 47 2HE TYR 47 -5.747 1.038 8.614 374 HH TYR 47 HH TYR 47 -5.234 -2.354 7.660 375 H GLN 48 H GLN 48 -1.767 4.155 9.563 376 HA GLN 48 HA GLN 48 -1.600 2.824 12.172 377 1HB GLN 48 2HB GLN 48 -1.054 5.243 11.551 378 2HB GLN 48 3HB GLN 48 -2.777 5.524 11.437 379 1HG GLN 48 2HG GLN 48 -1.296 4.407 13.888 380 2HG GLN 48 3HG GLN 48 -1.795 6.088 13.696 381 1HE2 GLN 48 2HE2 GLN 48 -2.592 4.130 15.816 382 2HE2 GLN 48 1HE2 GLN 48 -4.341 4.043 15.705 383 HA PRO 49 HA PRO 49 -5.713 1.294 10.846 384 1HB PRO 49 2HB PRO 49 -6.105 -0.716 12.618 385 2HB PRO 49 3HB PRO 49 -4.845 -0.806 11.360 386 1HG PRO 49 2HG PRO 49 -4.485 0.133 14.230 387 2HG PRO 49 3HG PRO 49 -3.592 -1.172 13.406 388 1HD PRO 49 2HD PRO 49 -2.574 1.315 13.509 389 2HD PRO 49 3HD PRO 49 -2.466 0.407 11.989 390 H HIS 50 H HIS 50 -6.132 3.602 11.655 391 HA HIS 50 HA HIS 50 -8.549 3.509 13.132 392 1HB HIS 50 2HB HIS 50 -6.380 3.650 14.879 393 2HB HIS 50 3HB HIS 50 -6.720 5.354 14.618 394 HD1 HIS 50 1HD HIS 50 -7.696 5.801 17.004 395 HD2 HIS 50 2HD HIS 50 -9.356 2.466 15.047 396 HE1 HIS 50 1HE HIS 50 -9.572 4.928 18.499 397 H LEU 51 H LEU 51 -5.797 5.615 12.142 398 HA LEU 51 HA LEU 51 -7.455 7.861 11.475 399 1HB LEU 51 2HB LEU 51 -4.737 7.072 10.557 400 2HB LEU 51 3HB LEU 51 -5.571 8.482 9.932 401 HG LEU 51 HG LEU 51 -5.871 9.439 12.176 402 1HD1 LEU 51 1HD1 LEU 51 -5.589 7.434 13.627 403 2HD1 LEU 51 2HD1 LEU 51 -3.887 7.334 13.095 404 3HD1 LEU 51 3HD1 LEU 51 -4.450 8.712 14.047 405 1HD2 LEU 51 1HD2 LEU 51 -3.628 10.312 12.387 406 2HD2 LEU 51 2HD2 LEU 51 -2.948 8.935 11.509 407 3HD2 LEU 51 3HD2 LEU 51 -3.992 10.107 10.666 408 H ILE 52 H ILE 52 -6.233 5.136 9.418 409 HA ILE 52 HA ILE 52 -8.231 5.812 7.371 410 HB ILE 52 HB ILE 52 -5.628 6.599 7.193 411 1HG1 ILE 52 2HG1 ILE 52 -5.890 6.234 4.673 412 2HG1 ILE 52 3HG1 ILE 52 -7.506 5.622 5.139 413 1HG2 ILE 52 1HG2 ILE 52 -5.540 3.907 5.774 414 2HG2 ILE 52 2HG2 ILE 52 -4.250 5.123 5.979 415 3HG2 ILE 52 3HG2 ILE 52 -4.818 4.240 7.387 416 1HD1 ILE 52 1HD1 ILE 52 -6.305 8.378 5.682 417 2HD1 ILE 52 2HD1 ILE 52 -7.601 8.026 4.527 418 3HD1 ILE 52 3HD1 ILE 52 -7.900 7.867 6.273 419 H SER 53 H SER 53 -8.536 3.872 5.866 420 HA SER 53 HA SER 53 -8.392 1.334 7.436 421 1HB SER 53 2HB SER 53 -10.613 0.902 6.397 422 2HB SER 53 3HB SER 53 -10.615 2.379 7.382 423 HG SER 53 HG SER 53 -11.564 2.874 5.410 424 H VAL 54 H VAL 54 -8.332 -0.623 6.174 425 HA VAL 54 HA VAL 54 -6.637 -0.904 4.016 426 HB VAL 54 HB VAL 54 -9.035 -2.532 4.856 427 1HG1 VAL 54 1HG1 VAL 54 -8.105 -4.332 3.322 428 2HG1 VAL 54 2HG1 VAL 54 -8.905 -3.002 2.488 429 3HG1 VAL 54 3HG1 VAL 54 -7.132 -3.063 2.547 430 1HG2 VAL 54 1HG2 VAL 54 -7.095 -2.629 6.340 431 2HG2 VAL 54 2HG2 VAL 54 -7.225 -4.161 5.465 432 3HG2 VAL 54 3HG2 VAL 54 -6.012 -2.976 4.963 433 H GLU 55 H GLU 55 -10.182 -0.365 3.864 434 HA GLU 55 HA GLU 55 -10.415 -0.567 1.077 435 1HB GLU 55 2HB GLU 55 -12.318 -0.668 2.577 436 2HB GLU 55 3HB GLU 55 -12.061 1.033 2.994 437 1HG GLU 55 2HG GLU 55 -13.497 1.534 1.306 438 2HG GLU 55 3HG GLU 55 -12.273 0.920 0.186 439 H GLU 56 H GLU 56 -9.973 2.495 3.016 440 HA GLU 56 HA GLU 56 -9.877 4.317 0.936 441 1HB GLU 56 2HB GLU 56 -8.751 4.073 3.713 442 2HB GLU 56 3HB GLU 56 -7.912 5.200 2.657 443 1HG GLU 56 2HG GLU 56 -10.918 5.278 3.126 444 2HG GLU 56 3HG GLU 56 -9.734 6.264 4.005 445 H MET 57 H MET 57 -7.123 2.431 2.351 446 HA MET 57 HA MET 57 -5.223 3.267 0.533 447 1HB MET 57 2HB MET 57 -5.024 0.474 1.446 448 2HB MET 57 3HB MET 57 -3.853 1.781 1.361 449 1HG MET 57 2HG MET 57 -5.437 2.792 3.332 450 2HG MET 57 3HG MET 57 -5.738 1.048 3.483 451 1HE MET 57 1HE MET 57 -1.983 3.393 4.333 452 2HE MET 57 2HE MET 57 -2.721 3.397 2.710 453 3HE MET 57 3HE MET 57 -3.602 4.067 4.091 454 H LYS 58 H LYS 58 -7.081 0.158 0.259 455 HA LYS 58 HA LYS 58 -6.105 -0.469 -2.344 456 1HB LYS 58 2HB LYS 58 -6.937 -2.235 -1.558 457 2HB LYS 58 3HB LYS 58 -8.286 -1.462 -0.606 458 1HG LYS 58 2HG LYS 58 -9.503 -1.304 -2.828 459 2HG LYS 58 3HG LYS 58 -8.196 -2.241 -3.576 460 1HD LYS 58 2HD LYS 58 -8.750 -4.191 -2.353 461 2HD LYS 58 3HD LYS 58 -9.546 -3.275 -1.071 462 1HE LYS 58 2HE LYS 58 -11.238 -4.441 -2.250 463 2HE LYS 58 3HE LYS 58 -11.444 -2.716 -2.558 464 1HZ LYS 58 1HZ LYS 58 -9.937 -4.363 -4.511 465 2HZ LYS 58 2HZ LYS 58 -11.600 -4.319 -4.526 466 3HZ LYS 58 3HZ LYS 58 -10.676 -3.002 -4.763 467 H LYS 59 H LYS 59 -9.283 0.937 -1.526 468 HA LYS 59 HA LYS 59 -10.255 1.369 -4.038 469 1HB LYS 59 2HB LYS 59 -11.240 1.786 -1.754 470 2HB LYS 59 3HB LYS 59 -10.518 3.383 -1.788 471 1HG LYS 59 2HG LYS 59 -12.260 2.468 -4.110 472 2HG LYS 59 3HG LYS 59 -13.025 2.828 -2.556 473 1HD LYS 59 2HD LYS 59 -11.988 5.060 -2.510 474 2HD LYS 59 3HD LYS 59 -11.236 4.762 -4.092 475 1HE LYS 59 2HE LYS 59 -13.415 4.576 -5.171 476 2HE LYS 59 3HE LYS 59 -14.256 4.611 -3.611 477 1HZ LYS 59 1HZ LYS 59 -12.668 6.836 -4.695 478 2HZ LYS 59 2HZ LYS 59 -14.314 6.736 -4.721 479 3HZ LYS 59 3HZ LYS 59 -13.515 6.841 -3.285 480 H GLN 60 H GLN 60 -8.110 3.620 -2.183 481 HA GLN 60 HA GLN 60 -7.814 5.419 -4.474 482 1HB GLN 60 2HB GLN 60 -6.302 4.962 -1.945 483 2HB GLN 60 3HB GLN 60 -5.576 5.968 -3.182 484 1HG GLN 60 2HG GLN 60 -6.835 7.310 -1.503 485 2HG GLN 60 3HG GLN 60 -7.273 7.580 -3.189 486 1HE2 GLN 60 2HE2 GLN 60 -8.578 7.030 -0.031 487 2HE2 GLN 60 1HE2 GLN 60 -10.167 6.707 -0.497 488 H ILE 61 H ILE 61 -5.850 2.592 -3.463 489 HA ILE 61 HA ILE 61 -3.821 3.033 -5.493 490 HB ILE 61 HB ILE 61 -4.452 0.681 -3.701 491 1HG1 ILE 61 2HG1 ILE 61 -2.320 2.874 -3.792 492 2HG1 ILE 61 3HG1 ILE 61 -3.640 2.836 -2.664 493 1HG2 ILE 61 1HG2 ILE 61 -2.239 -0.199 -4.466 494 2HG2 ILE 61 2HG2 ILE 61 -3.377 -0.135 -5.797 495 3HG2 ILE 61 3HG2 ILE 61 -2.147 1.132 -5.643 496 1HD1 ILE 61 1HD1 ILE 61 -1.339 0.885 -2.767 497 2HD1 ILE 61 2HD1 ILE 61 -1.740 2.056 -1.501 498 3HD1 ILE 61 3HD1 ILE 61 -2.801 0.656 -1.766 499 H GLU 62 H GLU 62 -6.291 0.337 -5.256 500 HA GLU 62 HA GLU 62 -6.160 -0.505 -7.888 501 1HB GLU 62 2HB GLU 62 -7.912 -0.760 -5.545 502 2HB GLU 62 3HB GLU 62 -8.888 -0.395 -6.921 503 1HG GLU 62 2HG GLU 62 -7.918 -2.370 -8.075 504 2HG GLU 62 3HG GLU 62 -6.842 -2.659 -6.693 505 H ALA 63 H ALA 63 -7.913 2.460 -6.651 506 HA ALA 63 HA ALA 63 -9.343 2.949 -9.025 507 1HB ALA 63 1HB ALA 63 -9.777 4.320 -7.120 508 2HB ALA 63 2HB ALA 63 -8.074 4.871 -7.068 509 3HB ALA 63 3HB ALA 63 -9.152 5.383 -8.383 510 H MET 64 H MET 64 -5.848 3.410 -8.445 511 HA MET 64 HA MET 64 -5.249 5.055 -10.687 512 1HB MET 64 2HB MET 64 -3.684 2.785 -9.411 513 2HB MET 64 3HB MET 64 -3.068 3.952 -10.577 514 1HG MET 64 2HG MET 64 -3.982 4.560 -7.745 515 2HG MET 64 3HG MET 64 -2.352 4.530 -8.405 516 1HE MET 64 1HE MET 64 -1.407 6.738 -7.836 517 2HE MET 64 2HE MET 64 -2.319 8.258 -7.913 518 3HE MET 64 3HE MET 64 -2.827 6.967 -6.781 519 H GLY 65 H GLY 65 -5.844 1.547 -10.343 520 1HA GLY 65 1HA GLY 65 -6.990 0.662 -12.419 521 2HA GLY 65 2HA GLY 65 -5.511 1.114 -13.286 522 H PHE 66 H PHE 66 -4.046 0.408 -10.599 523 HA PHE 66 HA PHE 66 -3.129 -2.100 -11.602 524 1HB PHE 66 2HB PHE 66 -2.599 -0.658 -9.004 525 2HB PHE 66 3HB PHE 66 -1.589 -1.953 -9.673 526 HD1 PHE 66 1HD PHE 66 -0.796 -1.426 -12.256 527 HD2 PHE 66 2HD PHE 66 -1.894 1.510 -9.306 528 HE1 PHE 66 1HE PHE 66 0.302 0.355 -13.602 529 HE2 PHE 66 2HE PHE 66 -0.746 3.272 -10.622 530 HZ PHE 66 HZ PHE 66 0.219 2.711 -12.834 531 HA PRO 67 HA PRO 67 -6.097 -4.366 -8.911 532 1HB PRO 67 2HB PRO 67 -5.525 -6.923 -9.666 533 2HB PRO 67 3HB PRO 67 -6.493 -5.817 -10.687 534 1HG PRO 67 2HG PRO 67 -3.538 -6.414 -10.877 535 2HG PRO 67 3HG PRO 67 -4.725 -6.434 -12.212 536 1HD PRO 67 2HD PRO 67 -3.110 -4.298 -11.710 537 2HD PRO 67 3HD PRO 67 -4.791 -4.055 -12.281 538 H ALA 68 H ALA 68 -5.678 -5.129 -6.825 539 HA ALA 68 HA ALA 68 -2.889 -5.862 -6.145 540 1HB ALA 68 1HB ALA 68 -4.554 -3.787 -4.666 541 2HB ALA 68 2HB ALA 68 -2.914 -4.362 -4.274 542 3HB ALA 68 3HB ALA 68 -3.200 -3.410 -5.754 543 H PHE 69 H PHE 69 -2.709 -7.343 -4.513 544 HA PHE 69 HA PHE 69 -5.302 -8.484 -3.452 545 1HB PHE 69 2HB PHE 69 -2.738 -9.713 -4.241 546 2HB PHE 69 3HB PHE 69 -3.750 -10.498 -3.043 547 HD1 PHE 69 1HD PHE 69 -5.471 -11.952 -3.692 548 HD2 PHE 69 2HD PHE 69 -3.957 -9.066 -6.533 549 HE1 PHE 69 1HE PHE 69 -6.849 -12.972 -5.471 550 HE2 PHE 69 2HE PHE 69 -5.389 -10.062 -8.287 551 HZ PHE 69 HZ PHE 69 -6.826 -12.024 -7.767 552 H VAL 70 H VAL 70 -5.075 -6.589 -1.976 553 HA VAL 70 HA VAL 70 -3.259 -6.592 0.268 554 HB VAL 70 HB VAL 70 -4.311 -4.629 -0.019 555 1HG1 VAL 70 1HG1 VAL 70 -6.940 -6.104 -0.066 556 2HG1 VAL 70 2HG1 VAL 70 -6.778 -4.339 0.103 557 3HG1 VAL 70 3HG1 VAL 70 -6.181 -5.144 -1.357 558 1HG2 VAL 70 1HG2 VAL 70 -5.237 -4.207 2.111 559 2HG2 VAL 70 2HG2 VAL 70 -5.851 -5.857 2.295 560 3HG2 VAL 70 3HG2 VAL 70 -4.103 -5.544 2.352 561 H LYS 71 H LYS 71 -2.881 -8.545 1.294 562 HA LYS 71 HA LYS 71 -5.107 -9.461 2.942 563 1HB LYS 71 2HB LYS 71 -4.979 -11.751 2.292 564 2HB LYS 71 3HB LYS 71 -5.584 -10.708 0.995 565 1HG LYS 71 2HG LYS 71 -3.250 -10.615 0.109 566 2HG LYS 71 3HG LYS 71 -2.786 -11.811 1.286 567 1HD LYS 71 2HD LYS 71 -5.099 -12.954 0.115 568 2HD LYS 71 3HD LYS 71 -4.380 -12.088 -1.234 569 1HE LYS 71 2HE LYS 71 -3.526 -14.333 -1.301 570 2HE LYS 71 3HE LYS 71 -2.195 -13.298 -0.758 571 1HZ LYS 71 1HZ LYS 71 -3.933 -14.959 0.961 572 2HZ LYS 71 2HZ LYS 71 -2.371 -15.285 0.581 573 3HZ LYS 71 3HZ LYS 71 -2.739 -13.982 1.520 574 H LYS 72 H LYS 72 -3.060 -8.124 3.995 575 HA LYS 72 HA LYS 72 -2.078 -10.141 5.800 576 1HB LYS 72 2HB LYS 72 -0.325 -9.675 3.736 577 2HB LYS 72 3HB LYS 72 0.094 -8.331 4.812 578 1HG LYS 72 2HG LYS 72 1.558 -10.053 5.442 579 2HG LYS 72 3HG LYS 72 0.305 -10.069 6.676 580 1HD LYS 72 2HD LYS 72 -0.674 -11.810 4.647 581 2HD LYS 72 3HD LYS 72 1.054 -12.132 4.658 582 1HE LYS 72 2HE LYS 72 -0.783 -12.165 7.105 583 2HE LYS 72 3HE LYS 72 -0.326 -13.613 6.197 584 1HZ LYS 72 1HZ LYS 72 1.835 -11.927 7.147 585 2HZ LYS 72 2HZ LYS 72 1.025 -12.596 8.302 586 3HZ LYS 72 3HZ LYS 72 1.745 -13.580 7.162 587 H ILE 73 H ILE 73 -1.829 -9.194 7.820 588 HA ILE 73 HA ILE 73 -1.556 -6.277 8.103 589 HB ILE 73 HB ILE 73 -3.729 -7.902 9.512 590 1HG1 ILE 73 2HG1 ILE 73 -5.042 -5.753 8.569 591 2HG1 ILE 73 3HG1 ILE 73 -3.798 -5.804 7.331 592 1HG2 ILE 73 1HG2 ILE 73 -2.591 -6.283 11.048 593 2HG2 ILE 73 2HG2 ILE 73 -2.926 -4.989 9.880 594 3HG2 ILE 73 3HG2 ILE 73 -4.254 -5.831 10.702 595 1HD1 ILE 73 1HD1 ILE 73 -5.769 -8.012 8.109 596 2HD1 ILE 73 2HD1 ILE 73 -5.829 -7.005 6.652 597 3HD1 ILE 73 3HD1 ILE 73 -4.542 -8.203 6.845 598 H GLU 74 H GLU 74 0.608 -6.814 8.590 599 HA GLU 74 HA GLU 74 1.054 -8.465 11.068 600 1HB GLU 74 2HB GLU 74 2.668 -8.109 8.619 601 2HB GLU 74 3HB GLU 74 3.556 -7.668 10.082 602 1HG GLU 74 2HG GLU 74 4.053 -9.893 9.834 603 2HG GLU 74 3HG GLU 74 2.750 -9.969 11.024 604 H GLY 75 H GLY 75 2.813 -7.391 12.538 605 1HA GLY 75 1HA GLY 75 3.224 -4.593 12.462 606 2HA GLY 75 2HA GLY 75 1.774 -4.925 13.436 607 H ARG 76 H ARG 76 2.859 -4.166 15.317 608 HA ARG 76 HA ARG 76 4.411 -6.153 16.764 609 1HB ARG 76 2HB ARG 76 5.974 -4.332 15.716 610 2HB ARG 76 3HB ARG 76 5.106 -3.177 16.725 611 1HG ARG 76 2HG ARG 76 6.964 -5.429 17.582 612 2HG ARG 76 3HG ARG 76 7.148 -3.680 17.800 613 1HD ARG 76 2HD ARG 76 4.914 -3.890 19.173 614 2HD ARG 76 3HD ARG 76 5.350 -5.626 19.241 615 HE ARG 76 HE ARG 76 7.486 -3.838 20.082 616 1HH1 ARG 76 1HH2 ARG 76 4.434 -5.292 21.045 617 2HH1 ARG 76 2HH2 ARG 76 4.600 -4.982 22.747 618 1HH2 ARG 76 1HH1 ARG 76 7.645 -3.149 22.321 619 2HH2 ARG 76 2HH1 ARG 76 6.458 -3.658 23.475 Start of MODEL 20 1 1H GLY 1 1H GLY 1 5.026 -2.060 13.605 2 2H GLY 1 2H GLY 1 5.846 -2.550 14.957 3 3H GLY 1 3H GLY 1 4.256 -2.961 14.732 4 1HA GLY 1 1HA GLY 1 4.390 -1.232 16.354 5 2HA GLY 1 2HA GLY 1 5.248 -0.231 15.167 6 H GLU 2 H GLU 2 4.138 0.202 13.098 7 HA GLU 2 HA GLU 2 1.345 0.837 13.358 8 1HB GLU 2 2HB GLU 2 2.780 0.724 10.719 9 2HB GLU 2 3HB GLU 2 1.646 1.930 11.338 10 1HG GLU 2 2HG GLU 2 4.605 1.700 12.099 11 2HG GLU 2 3HG GLU 2 3.836 2.882 11.090 12 H VAL 3 H VAL 3 0.106 0.169 11.042 13 HA VAL 3 HA VAL 3 -0.068 -2.787 11.173 14 HB VAL 3 HB VAL 3 -1.871 -1.115 9.480 15 1HG1 VAL 3 1HG1 VAL 3 -1.913 -3.653 9.531 16 2HG1 VAL 3 2HG1 VAL 3 -2.380 -3.551 11.238 17 3HG1 VAL 3 3HG1 VAL 3 -3.453 -2.896 9.983 18 1HG2 VAL 3 1HG2 VAL 3 -3.483 -0.964 11.411 19 2HG2 VAL 3 2HG2 VAL 3 -2.102 -1.258 12.494 20 3HG2 VAL 3 3HG2 VAL 3 -2.131 0.158 11.402 21 H VAL 4 H VAL 4 1.132 -3.820 9.742 22 HA VAL 4 HA VAL 4 2.014 -2.587 7.184 23 HB VAL 4 HB VAL 4 3.232 -4.449 9.045 24 1HG1 VAL 4 1HG1 VAL 4 4.218 -6.023 7.415 25 2HG1 VAL 4 2HG1 VAL 4 2.481 -6.273 7.541 26 3HG1 VAL 4 3HG1 VAL 4 3.147 -5.409 6.138 27 1HG2 VAL 4 1HG2 VAL 4 5.250 -3.911 7.860 28 2HG2 VAL 4 2HG2 VAL 4 4.330 -3.278 6.487 29 3HG2 VAL 4 3HG2 VAL 4 4.295 -2.436 8.064 30 H LEU 5 H LEU 5 0.877 -3.027 5.426 31 HA LEU 5 HA LEU 5 -0.855 -5.456 5.283 32 1HB LEU 5 2HB LEU 5 -1.158 -2.662 4.097 33 2HB LEU 5 3HB LEU 5 -2.071 -4.057 3.537 34 HG LEU 5 HG LEU 5 -3.399 -2.696 4.948 35 1HD1 LEU 5 1HD1 LEU 5 -2.737 -5.230 6.505 36 2HD1 LEU 5 2HD1 LEU 5 -4.270 -4.351 6.499 37 3HD1 LEU 5 3HD1 LEU 5 -3.728 -5.183 5.028 38 1HD2 LEU 5 1HD2 LEU 5 -1.581 -3.201 7.313 39 2HD2 LEU 5 2HD2 LEU 5 -1.612 -1.689 6.377 40 3HD2 LEU 5 3HD2 LEU 5 -3.047 -2.242 7.269 41 H LYS 6 H LYS 6 -0.352 -6.817 3.556 42 HA LYS 6 HA LYS 6 1.845 -5.916 1.736 43 1HB LYS 6 2HB LYS 6 1.871 -8.020 3.587 44 2HB LYS 6 3HB LYS 6 1.474 -8.790 2.054 45 1HG LYS 6 2HG LYS 6 3.715 -8.934 1.956 46 2HG LYS 6 3HG LYS 6 3.547 -7.377 1.161 47 1HD LYS 6 2HD LYS 6 4.153 -6.184 3.193 48 2HD LYS 6 3HD LYS 6 3.946 -7.640 4.184 49 1HE LYS 6 2HE LYS 6 5.850 -8.716 2.885 50 2HE LYS 6 3HE LYS 6 6.162 -7.130 2.162 51 1HZ LYS 6 1HZ LYS 6 6.210 -7.732 5.071 52 2HZ LYS 6 2HZ LYS 6 7.525 -7.580 4.102 53 3HZ LYS 6 3HZ LYS 6 6.559 -6.282 4.374 54 H MET 7 H MET 7 0.987 -5.556 -0.257 55 HA MET 7 HA MET 7 -1.317 -7.207 -1.144 56 1HB MET 7 2HB MET 7 -0.756 -4.621 -2.509 57 2HB MET 7 3HB MET 7 -2.256 -5.437 -2.123 58 1HG MET 7 2HG MET 7 -2.051 -4.687 0.229 59 2HG MET 7 3HG MET 7 -0.577 -3.807 -0.179 60 1HE MET 7 1HE MET 7 -2.175 -2.008 1.197 61 2HE MET 7 2HE MET 7 -3.504 -1.144 0.381 62 3HE MET 7 3HE MET 7 -3.744 -2.800 0.955 63 H LYS 8 H LYS 8 -0.887 -8.595 -2.849 64 HA LYS 8 HA LYS 8 1.620 -8.242 -4.382 65 1HB LYS 8 2HB LYS 8 -0.736 -10.127 -4.808 66 2HB LYS 8 3HB LYS 8 0.636 -9.948 -5.892 67 1HG LYS 8 2HG LYS 8 1.155 -11.723 -4.639 68 2HG LYS 8 3HG LYS 8 2.160 -10.404 -3.974 69 1HD LYS 8 2HD LYS 8 0.601 -10.177 -2.046 70 2HD LYS 8 3HD LYS 8 -0.439 -11.418 -2.742 71 1HE LYS 8 2HE LYS 8 2.235 -11.604 -1.336 72 2HE LYS 8 3HE LYS 8 0.782 -12.556 -1.062 73 1HZ LYS 8 1HZ LYS 8 2.685 -12.743 -3.297 74 2HZ LYS 8 2HZ LYS 8 2.480 -13.855 -2.110 75 3HZ LYS 8 3HZ LYS 8 1.290 -13.629 -3.232 76 H VAL 9 H VAL 9 1.765 -6.970 -6.263 77 HA VAL 9 HA VAL 9 -0.799 -5.943 -7.413 78 HB VAL 9 HB VAL 9 0.537 -3.972 -8.084 79 1HG1 VAL 9 1HG1 VAL 9 0.196 -4.389 -5.085 80 2HG1 VAL 9 2HG1 VAL 9 0.361 -2.819 -5.904 81 3HG1 VAL 9 3HG1 VAL 9 -1.041 -3.845 -6.242 82 1HG2 VAL 9 1HG2 VAL 9 2.538 -4.869 -5.965 83 2HG2 VAL 9 2HG2 VAL 9 2.808 -4.924 -7.721 84 3HG2 VAL 9 3HG2 VAL 9 2.579 -3.372 -6.908 85 H GLU 10 H GLU 10 -0.857 -5.695 -9.641 86 HA GLU 10 HA GLU 10 1.122 -7.392 -11.105 87 1HB GLU 10 2HB GLU 10 -1.717 -6.934 -11.810 88 2HB GLU 10 3HB GLU 10 -0.567 -7.898 -12.712 89 1HG GLU 10 2HG GLU 10 -1.039 -9.665 -11.440 90 2HG GLU 10 3HG GLU 10 -0.538 -8.796 -9.985 91 H GLY 11 H GLY 11 2.112 -6.617 -12.794 92 1HA GLY 11 1HA GLY 11 2.451 -5.422 -14.763 93 2HA GLY 11 2HA GLY 11 1.055 -4.407 -14.391 94 H MET 12 H MET 12 2.558 -3.954 -11.616 95 HA MET 12 HA MET 12 3.734 -1.437 -12.460 96 1HB MET 12 2HB MET 12 3.501 -2.802 -9.764 97 2HB MET 12 3HB MET 12 4.249 -1.216 -10.095 98 1HG MET 12 2HG MET 12 2.225 -0.199 -10.629 99 2HG MET 12 3HG MET 12 1.469 -1.704 -11.138 100 1HE MET 12 1HE MET 12 3.271 -0.999 -7.706 101 2HE MET 12 2HE MET 12 2.428 0.542 -8.031 102 3HE MET 12 3HE MET 12 1.885 -0.514 -6.703 103 H THR 13 H THR 13 5.203 -2.501 -13.860 104 HA THR 13 HA THR 13 7.696 -3.576 -12.636 105 HB THR 13 HB THR 13 7.108 -3.693 -15.584 106 HG1 THR 13 1HG THR 13 5.941 -5.662 -15.074 107 1HG2 THR 13 1HG2 THR 13 8.274 -5.711 -13.606 108 2HG2 THR 13 2HG2 THR 13 8.233 -5.871 -15.374 109 3HG2 THR 13 3HG2 THR 13 9.248 -4.630 -14.623 110 H CYS 14 HN CYS 14 7.251 -0.630 -12.617 111 HA CYS 14 HA CYS 14 9.876 -0.034 -13.669 112 1HB CYS 14 2HB CYS 14 9.283 1.830 -15.054 113 2HB CYS 14 3HB CYS 14 8.444 0.412 -15.670 114 H HIS 15 H HIS 15 10.666 2.001 -12.911 115 HA HIS 15 HA HIS 15 9.553 2.953 -10.353 116 1HB HIS 15 2HB HIS 15 12.062 3.479 -11.946 117 2HB HIS 15 3HB HIS 15 11.521 4.659 -10.757 118 HD1 HIS 15 1HD HIS 15 12.927 1.104 -10.807 119 HD2 HIS 15 2HD HIS 15 11.605 4.126 -8.190 120 HE1 HIS 15 1HE HIS 15 13.688 0.434 -8.460 121 H SER 16 H SER 16 7.533 3.212 -11.862 122 HA SER 16 HA SER 16 7.264 6.125 -11.872 123 1HB SER 16 2HB SER 16 7.764 5.600 -14.277 124 2HB SER 16 3HB SER 16 6.271 4.638 -14.337 125 HG SER 16 HG SER 16 5.924 6.806 -14.979 126 H CYS 17 HN CYS 17 5.347 3.194 -12.861 127 HA CYS 17 HA CYS 17 2.960 3.980 -11.673 128 1HB CYS 17 2HB CYS 17 3.974 1.110 -11.735 129 2HB CYS 17 3HB CYS 17 2.311 1.710 -11.761 130 H THR 18 H THR 18 5.566 2.001 -10.263 131 HA THR 18 HA THR 18 4.581 1.623 -7.654 132 HB THR 18 HB THR 18 7.025 1.336 -7.111 133 HG1 THR 18 1HG THR 18 7.691 1.594 -9.811 134 1HG2 THR 18 1HG2 THR 18 6.278 -0.043 -9.734 135 2HG2 THR 18 2HG2 THR 18 7.382 -0.609 -8.468 136 3HG2 THR 18 3HG2 THR 18 5.648 -0.525 -8.151 137 H SER 19 H SER 19 7.184 3.813 -8.497 138 HA SER 19 HA SER 19 7.335 5.326 -6.200 139 1HB SER 19 2HB SER 19 8.940 5.329 -8.114 140 2HB SER 19 3HB SER 19 7.827 6.377 -9.024 141 HG SER 19 HG SER 19 9.493 7.516 -7.858 142 H THR 20 H THR 20 5.225 6.097 -9.031 143 HA THR 20 HA THR 20 4.264 8.554 -7.960 144 HB THR 20 HB THR 20 2.859 6.658 -9.889 145 HG1 THR 20 1HG THR 20 4.783 7.265 -10.751 146 1HG2 THR 20 1HG2 THR 20 2.534 9.649 -9.351 147 2HG2 THR 20 2HG2 THR 20 1.762 8.750 -10.672 148 3HG2 THR 20 3HG2 THR 20 1.324 8.394 -8.990 149 H ILE 21 H ILE 21 3.041 5.139 -7.633 150 HA ILE 21 HA ILE 21 0.853 5.971 -5.948 151 HB ILE 21 HB ILE 21 1.962 3.446 -6.942 152 1HG1 ILE 21 2HG1 ILE 21 -0.729 3.867 -5.641 153 2HG1 ILE 21 3HG1 ILE 21 -0.327 4.618 -7.177 154 1HG2 ILE 21 1HG2 ILE 21 2.628 2.942 -4.639 155 2HG2 ILE 21 2HG2 ILE 21 0.996 3.404 -4.072 156 3HG2 ILE 21 3HG2 ILE 21 1.223 1.990 -5.108 157 1HD1 ILE 21 1HD1 ILE 21 -0.209 1.618 -6.717 158 2HD1 ILE 21 2HD1 ILE 21 -1.519 2.515 -7.501 159 3HD1 ILE 21 3HD1 ILE 21 0.109 2.493 -8.229 160 H GLU 22 H GLU 22 4.176 4.853 -5.162 161 HA GLU 22 HA GLU 22 3.961 4.996 -2.408 162 1HB GLU 22 2HB GLU 22 6.099 4.870 -4.350 163 2HB GLU 22 3HB GLU 22 6.586 6.027 -3.129 164 1HG GLU 22 2HG GLU 22 6.012 4.333 -1.368 165 2HG GLU 22 3HG GLU 22 5.560 3.199 -2.651 166 H GLY 23 H GLY 23 4.807 7.700 -4.589 167 1HA GLY 23 1HA GLY 23 4.848 9.781 -2.698 168 2HA GLY 23 2HA GLY 23 4.460 9.949 -4.415 169 H LYS 24 H LYS 24 2.063 8.757 -4.815 170 HA LYS 24 HA LYS 24 0.409 10.842 -3.800 171 1HB LYS 24 2HB LYS 24 0.235 9.136 -5.974 172 2HB LYS 24 3HB LYS 24 -0.940 8.409 -4.903 173 1HG LYS 24 2HG LYS 24 -2.178 9.925 -6.159 174 2HG LYS 24 3HG LYS 24 -1.972 10.755 -4.625 175 1HD LYS 24 2HD LYS 24 -0.266 12.201 -5.538 176 2HD LYS 24 3HD LYS 24 -0.062 11.213 -6.980 177 1HE LYS 24 2HE LYS 24 -2.645 12.710 -6.307 178 2HE LYS 24 3HE LYS 24 -1.342 13.391 -7.290 179 1HZ LYS 24 1HZ LYS 24 -2.856 10.960 -7.974 180 2HZ LYS 24 2HZ LYS 24 -3.035 12.439 -8.658 181 3HZ LYS 24 3HZ LYS 24 -1.632 11.612 -8.858 182 H ILE 25 H ILE 25 0.516 7.382 -3.135 183 HA ILE 25 HA ILE 25 -1.633 7.425 -1.246 184 HB ILE 25 HB ILE 25 0.417 5.300 -1.820 185 1HG1 ILE 25 2HG1 ILE 25 -0.835 5.894 -3.809 186 2HG1 ILE 25 3HG1 ILE 25 -1.094 4.243 -3.236 187 1HG2 ILE 25 1HG2 ILE 25 -2.170 5.119 -0.274 188 2HG2 ILE 25 2HG2 ILE 25 -1.207 3.731 -0.842 189 3HG2 ILE 25 3HG2 ILE 25 -0.535 4.856 0.344 190 1HD1 ILE 25 1HD1 ILE 25 -2.941 6.599 -2.813 191 2HD1 ILE 25 2HD1 ILE 25 -3.174 5.268 -3.970 192 3HD1 ILE 25 3HD1 ILE 25 -3.213 4.937 -2.223 193 H GLY 26 H GLY 26 1.934 7.807 -1.034 194 1HA GLY 26 1HA GLY 26 2.298 7.743 1.732 195 2HA GLY 26 2HA GLY 26 3.079 8.872 0.612 196 H LYS 27 H LYS 27 0.487 10.172 -0.230 197 HA LYS 27 HA LYS 27 0.697 12.149 1.801 198 1HB LYS 27 2HB LYS 27 0.820 12.378 -0.700 199 2HB LYS 27 3HB LYS 27 -0.948 12.204 -0.758 200 1HG LYS 27 2HG LYS 27 -1.270 14.236 0.424 201 2HG LYS 27 3HG LYS 27 0.374 14.195 1.062 202 1HD LYS 27 2HD LYS 27 0.354 15.946 -0.583 203 2HD LYS 27 3HD LYS 27 1.338 14.609 -1.156 204 1HE LYS 27 2HE LYS 27 0.082 15.365 -3.030 205 2HE LYS 27 3HE LYS 27 -0.620 13.814 -2.559 206 1HZ LYS 27 1HZ LYS 27 -1.689 16.484 -1.874 207 2HZ LYS 27 2HZ LYS 27 -2.295 15.476 -3.018 208 3HZ LYS 27 3HZ LYS 27 -2.369 15.050 -1.432 209 H LEU 28 H LEU 28 -1.473 9.494 1.799 210 HA LEU 28 HA LEU 28 -3.873 10.879 2.471 211 1HB LEU 28 2HB LEU 28 -2.847 8.149 3.038 212 2HB LEU 28 3HB LEU 28 -4.421 8.677 3.575 213 HG LEU 28 HG LEU 28 -4.180 9.452 0.777 214 1HD1 LEU 28 1HD1 LEU 28 -4.114 7.216 -0.215 215 2HD1 LEU 28 2HD1 LEU 28 -2.641 7.812 0.574 216 3HD1 LEU 28 3HD1 LEU 28 -3.614 6.550 1.375 217 1HD2 LEU 28 1HD2 LEU 28 -6.275 9.146 2.100 218 2HD2 LEU 28 2HD2 LEU 28 -6.245 8.200 0.600 219 3HD2 LEU 28 3HD2 LEU 28 -5.947 7.395 2.158 220 H GLN 29 H GLN 29 -4.837 11.097 4.540 221 HA GLN 29 HA GLN 29 -2.941 11.785 6.589 222 1HB GLN 29 2HB GLN 29 -4.836 12.752 7.755 223 2HB GLN 29 3HB GLN 29 -4.712 13.292 6.073 224 1HG GLN 29 2HG GLN 29 -6.377 10.957 6.063 225 2HG GLN 29 3HG GLN 29 -6.908 11.927 7.428 226 1HE2 GLN 29 2HE2 GLN 29 -7.548 11.395 4.196 227 2HE2 GLN 29 1HE2 GLN 29 -8.142 12.990 3.782 228 H GLY 30 H GLY 30 -2.270 9.558 6.729 229 1HA GLY 30 1HA GLY 30 -2.868 8.424 9.353 230 2HA GLY 30 2HA GLY 30 -3.822 7.606 8.179 231 H VAL 31 H VAL 31 -0.594 8.589 7.038 232 HA VAL 31 HA VAL 31 -0.041 5.701 6.912 233 HB VAL 31 HB VAL 31 0.768 7.953 5.005 234 1HG1 VAL 31 1HG1 VAL 31 2.262 5.997 4.943 235 2HG1 VAL 31 2HG1 VAL 31 0.863 4.908 4.804 236 3HG1 VAL 31 3HG1 VAL 31 1.255 6.041 3.488 237 1HG2 VAL 31 1HG2 VAL 31 -0.976 6.870 3.518 238 2HG2 VAL 31 2HG2 VAL 31 -1.581 6.048 4.984 239 3HG2 VAL 31 3HG2 VAL 31 -1.601 7.808 4.881 240 H GLN 32 H GLN 32 2.006 4.990 7.388 241 HA GLN 32 HA GLN 32 3.800 6.969 8.750 242 1HB GLN 32 2HB GLN 32 2.954 4.137 9.337 243 2HB GLN 32 3HB GLN 32 4.518 4.729 9.895 244 1HG GLN 32 2HG GLN 32 2.024 6.250 10.453 245 2HG GLN 32 3HG GLN 32 2.562 4.952 11.506 246 1HE2 GLN 32 2HE2 GLN 32 4.511 5.270 12.860 247 2HE2 GLN 32 1HE2 GLN 32 5.214 6.873 12.973 248 H ARG 33 H ARG 33 3.682 4.024 6.624 249 HA ARG 33 HA ARG 33 5.994 5.067 5.230 250 1HB ARG 33 2HB ARG 33 6.501 3.130 7.269 251 2HB ARG 33 3HB ARG 33 6.402 2.202 5.775 252 1HG ARG 33 2HG ARG 33 8.632 2.726 5.723 253 2HG ARG 33 3HG ARG 33 7.985 4.079 4.794 254 1HD ARG 33 2HD ARG 33 7.807 5.134 7.299 255 2HD ARG 33 3HD ARG 33 9.092 3.952 7.594 256 HE ARG 33 HE ARG 33 9.605 5.540 5.231 257 1HH1 ARG 33 1HH2 ARG 33 9.585 5.746 8.744 258 2HH1 ARG 33 2HH2 ARG 33 10.704 7.069 8.851 259 1HH2 ARG 33 1HH1 ARG 33 11.029 7.374 5.311 260 2HH2 ARG 33 2HH1 ARG 33 11.531 8.022 6.837 261 H ILE 34 H ILE 34 6.381 3.702 3.261 262 HA ILE 34 HA ILE 34 4.282 1.927 2.460 263 HB ILE 34 HB ILE 34 3.167 3.987 2.069 264 1HG1 ILE 34 2HG1 ILE 34 4.286 3.065 -0.595 265 2HG1 ILE 34 3HG1 ILE 34 3.157 2.124 0.359 266 1HG2 ILE 34 1HG2 ILE 34 4.903 5.632 2.145 267 2HG2 ILE 34 2HG2 ILE 34 5.654 5.022 0.669 268 3HG2 ILE 34 3HG2 ILE 34 4.071 5.812 0.610 269 1HD1 ILE 34 1HD1 ILE 34 2.565 4.925 -0.704 270 2HD1 ILE 34 2HD1 ILE 34 1.948 3.393 -1.348 271 3HD1 ILE 34 3HD1 ILE 34 1.499 3.931 0.287 272 H LYS 35 H LYS 35 5.253 0.479 1.134 273 HA LYS 35 HA LYS 35 7.714 1.124 -0.193 274 1HB LYS 35 2HB LYS 35 7.563 -0.641 2.168 275 2HB LYS 35 3HB LYS 35 8.514 -1.248 0.793 276 1HG LYS 35 2HG LYS 35 8.889 1.412 2.229 277 2HG LYS 35 3HG LYS 35 9.833 -0.058 2.508 278 1HD LYS 35 2HD LYS 35 10.584 -0.031 0.123 279 2HD LYS 35 3HD LYS 35 9.690 1.475 -0.126 280 1HE LYS 35 2HE LYS 35 11.320 1.959 2.145 281 2HE LYS 35 3HE LYS 35 12.343 1.120 0.972 282 1HZ LYS 35 1HZ LYS 35 10.714 3.525 0.414 283 2HZ LYS 35 2HZ LYS 35 12.352 3.497 0.620 284 3HZ LYS 35 3HZ LYS 35 11.658 2.757 -0.677 285 H VAL 36 H VAL 36 7.712 0.488 -2.264 286 HA VAL 36 HA VAL 36 5.960 -1.886 -2.856 287 HB VAL 36 HB VAL 36 6.687 0.426 -4.655 288 1HG1 VAL 36 1HG1 VAL 36 4.844 -0.567 -6.030 289 2HG1 VAL 36 2HG1 VAL 36 6.235 -1.665 -5.911 290 3HG1 VAL 36 3HG1 VAL 36 4.777 -1.957 -4.936 291 1HG2 VAL 36 1HG2 VAL 36 4.324 1.075 -4.343 292 2HG2 VAL 36 2HG2 VAL 36 4.075 -0.276 -3.217 293 3HG2 VAL 36 3HG2 VAL 36 5.136 1.064 -2.777 294 H SER 37 H SER 37 7.183 -3.612 -2.736 295 HA SER 37 HA SER 37 9.908 -3.809 -3.728 296 1HB SER 37 2HB SER 37 8.061 -6.009 -2.974 297 2HB SER 37 3HB SER 37 9.827 -6.014 -2.963 298 HG SER 37 HG SER 37 8.876 -5.723 -0.853 299 H LEU 38 H LEU 38 9.160 -2.868 -5.813 300 HA LEU 38 HA LEU 38 7.703 -3.856 -7.873 301 1HB LEU 38 2HB LEU 38 9.156 -1.978 -8.051 302 2HB LEU 38 3HB LEU 38 10.603 -2.961 -7.835 303 HG LEU 38 HG LEU 38 9.000 -3.883 -10.143 304 1HD1 LEU 38 1HD1 LEU 38 10.027 -1.011 -10.116 305 2HD1 LEU 38 2HD1 LEU 38 9.629 -1.930 -11.578 306 3HD1 LEU 38 3HD1 LEU 38 8.359 -1.562 -10.398 307 1HD2 LEU 38 1HD2 LEU 38 11.854 -2.833 -9.915 308 2HD2 LEU 38 2HD2 LEU 38 11.372 -4.527 -9.688 309 3HD2 LEU 38 3HD2 LEU 38 11.168 -3.755 -11.269 310 H ASP 39 H ASP 39 10.910 -5.236 -6.901 311 HA ASP 39 HA ASP 39 11.322 -7.030 -8.842 312 1HB ASP 39 2HB ASP 39 11.674 -7.711 -5.870 313 2HB ASP 39 3HB ASP 39 12.631 -8.303 -7.216 314 H ASN 40 H ASN 40 9.503 -7.681 -5.867 315 HA ASN 40 HA ASN 40 8.720 -10.294 -6.884 316 1HB ASN 40 2HB ASN 40 9.445 -9.588 -4.449 317 2HB ASN 40 3HB ASN 40 7.680 -9.522 -4.271 318 1HD2 ASN 40 2HD2 ASN 40 10.455 -11.549 -5.278 319 2HD2 ASN 40 1HD2 ASN 40 9.672 -13.087 -4.956 320 H GLN 41 H GLN 41 7.690 -7.192 -7.219 321 HA GLN 41 HA GLN 41 5.972 -5.972 -7.460 322 1HB GLN 41 2HB GLN 41 5.706 -8.196 -9.168 323 2HB GLN 41 3HB GLN 41 4.104 -8.042 -8.495 324 1HG GLN 41 2HG GLN 41 4.048 -5.696 -9.355 325 2HG GLN 41 3HG GLN 41 5.763 -5.803 -9.784 326 1HE2 GLN 41 2HE2 GLN 41 2.941 -7.971 -10.214 327 2HE2 GLN 41 1HE2 GLN 41 3.294 -8.357 -11.908 328 H GLU 42 H GLU 42 6.193 -6.252 -5.056 329 HA GLU 42 HA GLU 42 3.542 -6.953 -3.806 330 1HB GLU 42 2HB GLU 42 5.478 -8.529 -3.261 331 2HB GLU 42 3HB GLU 42 6.231 -7.153 -2.458 332 1HG GLU 42 2HG GLU 42 5.233 -8.119 -0.656 333 2HG GLU 42 3HG GLU 42 3.940 -7.012 -1.128 334 H ALA 43 H ALA 43 2.651 -5.397 -2.548 335 HA ALA 43 HA ALA 43 4.022 -2.778 -2.202 336 1HB ALA 43 1HB ALA 43 1.802 -1.811 -2.147 337 2HB ALA 43 2HB ALA 43 2.046 -2.737 -3.645 338 3HB ALA 43 3HB ALA 43 1.071 -3.416 -2.326 339 H THR 44 H THR 44 4.859 -2.715 -0.289 340 HA THR 44 HA THR 44 3.768 -3.795 2.210 341 HB THR 44 HB THR 44 6.263 -2.121 1.472 342 HG1 THR 44 1HG THR 44 6.090 -4.335 0.679 343 1HG2 THR 44 1HG2 THR 44 5.511 -3.615 4.064 344 2HG2 THR 44 2HG2 THR 44 7.106 -2.922 3.706 345 3HG2 THR 44 3HG2 THR 44 5.708 -1.864 3.904 346 H ILE 45 H ILE 45 1.816 -2.502 2.390 347 HA ILE 45 HA ILE 45 2.117 0.478 2.414 348 HB ILE 45 HB ILE 45 -0.153 -1.513 2.352 349 1HG1 ILE 45 2HG1 ILE 45 1.068 -0.667 0.252 350 2HG1 ILE 45 3HG1 ILE 45 -0.689 -0.579 0.257 351 1HG2 ILE 45 1HG2 ILE 45 -1.727 0.412 2.448 352 2HG2 ILE 45 2HG2 ILE 45 -0.939 0.034 3.987 353 3HG2 ILE 45 3HG2 ILE 45 -0.379 1.425 3.031 354 1HD1 ILE 45 1HD1 ILE 45 1.000 1.811 1.021 355 2HD1 ILE 45 2HD1 ILE 45 0.494 1.457 -0.646 356 3HD1 ILE 45 3HD1 ILE 45 -0.720 1.761 0.605 357 H VAL 46 H VAL 46 2.515 1.536 4.417 358 HA VAL 46 HA VAL 46 1.981 -0.107 6.858 359 HB VAL 46 HB VAL 46 4.297 1.786 6.498 360 1HG1 VAL 46 1HG1 VAL 46 3.717 1.434 8.789 361 2HG1 VAL 46 2HG1 VAL 46 3.589 -0.326 8.547 362 3HG1 VAL 46 3HG1 VAL 46 5.166 0.481 8.427 363 1HG2 VAL 46 1HG2 VAL 46 4.695 0.061 4.895 364 2HG2 VAL 46 2HG2 VAL 46 5.611 -0.408 6.339 365 3HG2 VAL 46 3HG2 VAL 46 4.040 -1.172 5.995 366 H TYR 47 H TYR 47 0.163 0.774 7.724 367 HA TYR 47 HA TYR 47 0.097 3.761 7.913 368 1HB TYR 47 2HB TYR 47 -2.274 3.741 7.563 369 2HB TYR 47 3HB TYR 47 -1.446 3.027 6.202 370 HD1 TYR 47 1HD TYR 47 -3.159 1.983 9.417 371 HD2 TYR 47 2HD TYR 47 -2.533 1.167 5.242 372 HE1 TYR 47 1HE TYR 47 -5.015 0.401 9.470 373 HE2 TYR 47 2HE TYR 47 -4.457 -0.384 5.274 374 HH TYR 47 HH TYR 47 -6.248 -1.112 8.285 375 H GLN 48 H GLN 48 -1.264 4.655 9.517 376 HA GLN 48 HA GLN 48 -0.870 3.256 12.066 377 1HB GLN 48 2HB GLN 48 -1.007 6.027 11.206 378 2HB GLN 48 3HB GLN 48 -2.323 5.710 12.357 379 1HG GLN 48 2HG GLN 48 -0.475 4.541 13.805 380 2HG GLN 48 3HG GLN 48 0.646 5.445 12.779 381 1HE2 GLN 48 2HE2 GLN 48 1.345 7.214 13.979 382 2HE2 GLN 48 1HE2 GLN 48 0.290 8.184 14.997 383 HA PRO 49 HA PRO 49 -5.157 1.883 11.634 384 1HB PRO 49 2HB PRO 49 -5.666 1.143 14.255 385 2HB PRO 49 3HB PRO 49 -4.758 0.147 13.091 386 1HG PRO 49 2HG PRO 49 -3.686 1.866 15.305 387 2HG PRO 49 3HG PRO 49 -3.063 0.303 14.693 388 1HD PRO 49 2HD PRO 49 -2.051 2.822 14.055 389 2HD PRO 49 3HD PRO 49 -1.772 1.363 13.107 390 H HIS 50 H HIS 50 -7.274 2.599 12.499 391 HA HIS 50 HA HIS 50 -8.767 4.081 13.199 392 1HB HIS 50 2HB HIS 50 -7.377 4.045 15.341 393 2HB HIS 50 3HB HIS 50 -6.678 5.578 14.812 394 HD1 HIS 50 1HD HIS 50 -7.818 7.414 16.193 395 HD2 HIS 50 2HD HIS 50 -10.376 4.260 15.094 396 HE1 HIS 50 1HE HIS 50 -10.107 7.935 17.203 397 H LEU 51 H LEU 51 -5.656 5.683 12.123 398 HA LEU 51 HA LEU 51 -6.972 8.064 11.356 399 1HB LEU 51 2HB LEU 51 -4.386 6.900 10.504 400 2HB LEU 51 3HB LEU 51 -4.903 8.546 10.170 401 HG LEU 51 HG LEU 51 -4.561 7.398 12.945 402 1HD1 LEU 51 1HD1 LEU 51 -2.917 9.550 11.519 403 2HD1 LEU 51 2HD1 LEU 51 -2.585 8.844 13.111 404 3HD1 LEU 51 3HD1 LEU 51 -2.408 7.859 11.650 405 1HD2 LEU 51 1HD2 LEU 51 -4.734 9.793 13.691 406 2HD2 LEU 51 2HD2 LEU 51 -5.296 10.211 12.060 407 3HD2 LEU 51 3HD2 LEU 51 -6.249 9.122 13.099 408 H ILE 52 H ILE 52 -5.949 5.167 9.425 409 HA ILE 52 HA ILE 52 -7.886 5.823 7.347 410 HB ILE 52 HB ILE 52 -5.304 6.660 7.141 411 1HG1 ILE 52 2HG1 ILE 52 -5.607 6.324 4.622 412 2HG1 ILE 52 3HG1 ILE 52 -7.221 5.738 5.140 413 1HG2 ILE 52 1HG2 ILE 52 -3.853 5.272 6.027 414 2HG2 ILE 52 2HG2 ILE 52 -4.490 4.242 7.307 415 3HG2 ILE 52 3HG2 ILE 52 -5.096 4.054 5.622 416 1HD1 ILE 52 1HD1 ILE 52 -5.951 8.458 5.745 417 2HD1 ILE 52 2HD1 ILE 52 -7.250 8.171 4.573 418 3HD1 ILE 52 3HD1 ILE 52 -7.558 7.948 6.308 419 H SER 53 H SER 53 -7.595 3.740 5.650 420 HA SER 53 HA SER 53 -7.300 1.274 7.241 421 1HB SER 53 2HB SER 53 -9.618 0.603 6.723 422 2HB SER 53 3HB SER 53 -9.577 2.082 7.701 423 HG SER 53 HG SER 53 -10.987 2.425 5.987 424 H VAL 54 H VAL 54 -7.436 -0.657 5.943 425 HA VAL 54 HA VAL 54 -6.154 -0.794 3.567 426 HB VAL 54 HB VAL 54 -8.516 -2.570 4.255 427 1HG1 VAL 54 1HG1 VAL 54 -6.173 -2.787 2.334 428 2HG1 VAL 54 2HG1 VAL 54 -7.136 -4.207 2.829 429 3HG1 VAL 54 3HG1 VAL 54 -7.901 -2.893 1.940 430 1HG2 VAL 54 1HG2 VAL 54 -6.684 -4.155 5.046 431 2HG2 VAL 54 2HG2 VAL 54 -5.581 -2.775 4.990 432 3HG2 VAL 54 3HG2 VAL 54 -6.980 -2.768 6.095 433 H GLU 55 H GLU 55 -9.710 -0.225 3.880 434 HA GLU 55 HA GLU 55 -10.172 -0.518 1.099 435 1HB GLU 55 2HB GLU 55 -11.943 -0.584 2.886 436 2HB GLU 55 3HB GLU 55 -11.733 1.167 3.021 437 1HG GLU 55 2HG GLU 55 -13.694 0.681 1.708 438 2HG GLU 55 3HG GLU 55 -12.411 1.246 0.643 439 H GLU 56 H GLU 56 -9.216 2.393 2.980 440 HA GLU 56 HA GLU 56 -9.644 4.216 0.798 441 1HB GLU 56 2HB GLU 56 -8.530 4.337 3.553 442 2HB GLU 56 3HB GLU 56 -7.617 5.317 2.404 443 1HG GLU 56 2HG GLU 56 -10.631 5.490 2.771 444 2HG GLU 56 3HG GLU 56 -9.440 6.600 3.471 445 H MET 57 H MET 57 -6.683 2.598 2.196 446 HA MET 57 HA MET 57 -4.883 3.228 0.238 447 1HB MET 57 2HB MET 57 -5.350 0.682 1.728 448 2HB MET 57 3HB MET 57 -3.925 1.017 0.761 449 1HG MET 57 2HG MET 57 -4.794 2.719 3.118 450 2HG MET 57 3HG MET 57 -3.604 1.423 3.165 451 1HE MET 57 1HE MET 57 -1.674 2.958 4.042 452 2HE MET 57 2HE MET 57 -1.244 4.520 3.329 453 3HE MET 57 3HE MET 57 -2.827 4.314 4.146 454 H LYS 58 H LYS 58 -6.883 0.228 0.058 455 HA LYS 58 HA LYS 58 -6.076 -0.403 -2.583 456 1HB LYS 58 2HB LYS 58 -6.808 -2.130 -1.758 457 2HB LYS 58 3HB LYS 58 -8.106 -1.426 -0.692 458 1HG LYS 58 2HG LYS 58 -8.628 -1.522 -3.673 459 2HG LYS 58 3HG LYS 58 -8.389 -3.059 -2.893 460 1HD LYS 58 2HD LYS 58 -10.096 -2.532 -1.185 461 2HD LYS 58 3HD LYS 58 -10.354 -0.937 -1.911 462 1HE LYS 58 2HE LYS 58 -11.165 -1.937 -3.978 463 2HE LYS 58 3HE LYS 58 -10.756 -3.566 -3.426 464 1HZ LYS 58 1HZ LYS 58 -12.667 -1.809 -2.031 465 2HZ LYS 58 2HZ LYS 58 -13.126 -2.952 -3.140 466 3HZ LYS 58 3HZ LYS 58 -12.403 -3.371 -1.713 467 H LYS 59 H LYS 59 -9.151 1.183 -1.571 468 HA LYS 59 HA LYS 59 -10.248 1.563 -4.080 469 1HB LYS 59 2HB LYS 59 -11.174 2.046 -1.837 470 2HB LYS 59 3HB LYS 59 -10.299 3.562 -1.794 471 1HG LYS 59 2HG LYS 59 -12.210 2.846 -4.058 472 2HG LYS 59 3HG LYS 59 -12.821 3.419 -2.508 473 1HD LYS 59 2HD LYS 59 -12.363 5.546 -2.933 474 2HD LYS 59 3HD LYS 59 -10.682 5.199 -3.339 475 1HE LYS 59 2HE LYS 59 -11.353 4.536 -5.639 476 2HE LYS 59 3HE LYS 59 -13.046 4.886 -5.257 477 1HZ LYS 59 1HZ LYS 59 -10.852 6.857 -5.177 478 2HZ LYS 59 2HZ LYS 59 -11.947 6.701 -6.400 479 3HZ LYS 59 3HZ LYS 59 -12.445 7.168 -4.901 480 H GLN 60 H GLN 60 -7.878 3.596 -2.349 481 HA GLN 60 HA GLN 60 -7.582 5.516 -4.512 482 1HB GLN 60 2HB GLN 60 -5.806 4.766 -2.213 483 2HB GLN 60 3HB GLN 60 -5.488 6.140 -3.276 484 1HG GLN 60 2HG GLN 60 -8.176 5.911 -1.846 485 2HG GLN 60 3HG GLN 60 -6.765 6.586 -1.049 486 1HE2 GLN 60 2HE2 GLN 60 -5.974 8.624 -1.700 487 2HE2 GLN 60 1HE2 GLN 60 -6.856 9.648 -2.822 488 H ILE 61 H ILE 61 -5.766 2.534 -3.699 489 HA ILE 61 HA ILE 61 -3.741 2.878 -5.735 490 HB ILE 61 HB ILE 61 -4.570 0.536 -4.022 491 1HG1 ILE 61 2HG1 ILE 61 -2.197 2.448 -4.126 492 2HG1 ILE 61 3HG1 ILE 61 -3.480 2.558 -2.969 493 1HG2 ILE 61 1HG2 ILE 61 -2.500 -0.580 -4.854 494 2HG2 ILE 61 2HG2 ILE 61 -3.663 -0.372 -6.147 495 3HG2 ILE 61 3HG2 ILE 61 -2.286 0.736 -6.030 496 1HD1 ILE 61 1HD1 ILE 61 -1.431 0.350 -3.162 497 2HD1 ILE 61 2HD1 ILE 61 -1.703 1.504 -1.847 498 3HD1 ILE 61 3HD1 ILE 61 -2.909 0.237 -2.163 499 H GLU 62 H GLU 62 -6.418 0.389 -5.529 500 HA GLU 62 HA GLU 62 -6.364 -0.399 -8.178 501 1HB GLU 62 2HB GLU 62 -8.085 -0.645 -5.837 502 2HB GLU 62 3HB GLU 62 -9.088 -0.126 -7.152 503 1HG GLU 62 2HG GLU 62 -8.195 -2.090 -8.463 504 2HG GLU 62 3HG GLU 62 -7.240 -2.553 -7.046 505 H ALA 63 H ALA 63 -7.924 2.619 -6.866 506 HA ALA 63 HA ALA 63 -9.293 3.308 -9.224 507 1HB ALA 63 1HB ALA 63 -9.623 4.622 -7.256 508 2HB ALA 63 2HB ALA 63 -7.895 5.079 -7.206 509 3HB ALA 63 3HB ALA 63 -8.953 5.687 -8.494 510 H MET 64 H MET 64 -5.759 3.532 -8.619 511 HA MET 64 HA MET 64 -5.119 5.219 -10.831 512 1HB MET 64 2HB MET 64 -3.552 2.903 -9.642 513 2HB MET 64 3HB MET 64 -2.950 4.182 -10.694 514 1HG MET 64 2HG MET 64 -3.863 4.451 -7.819 515 2HG MET 64 3HG MET 64 -2.258 4.663 -8.515 516 1HE MET 64 1HE MET 64 -3.166 6.663 -6.490 517 2HE MET 64 2HE MET 64 -1.664 6.922 -7.421 518 3HE MET 64 3HE MET 64 -2.870 8.220 -7.293 519 H GLY 65 H GLY 65 -5.721 1.716 -10.489 520 1HA GLY 65 1HA GLY 65 -6.906 0.837 -12.551 521 2HA GLY 65 2HA GLY 65 -5.439 1.288 -13.440 522 H PHE 66 H PHE 66 -4.019 0.550 -10.689 523 HA PHE 66 HA PHE 66 -3.150 -2.005 -11.708 524 1HB PHE 66 2HB PHE 66 -2.452 -0.492 -9.194 525 2HB PHE 66 3HB PHE 66 -1.511 -1.827 -9.891 526 HD1 PHE 66 1HD PHE 66 -0.856 -1.359 -12.532 527 HD2 PHE 66 2HD PHE 66 -1.692 1.641 -9.559 528 HE1 PHE 66 1HE PHE 66 0.140 0.389 -13.996 529 HE2 PHE 66 2HE PHE 66 -0.677 3.376 -11.014 530 HZ PHE 66 HZ PHE 66 0.088 2.767 -13.289 531 HA PRO 67 HA PRO 67 -6.061 -4.053 -8.784 532 1HB PRO 67 2HB PRO 67 -5.496 -6.666 -9.378 533 2HB PRO 67 3HB PRO 67 -6.504 -5.637 -10.442 534 1HG PRO 67 2HG PRO 67 -3.548 -6.204 -10.661 535 2HG PRO 67 3HG PRO 67 -4.767 -6.364 -11.959 536 1HD PRO 67 2HD PRO 67 -3.187 -4.177 -11.702 537 2HD PRO 67 3HD PRO 67 -4.900 -3.980 -12.188 538 H ALA 68 H ALA 68 -5.657 -5.108 -6.739 539 HA ALA 68 HA ALA 68 -2.880 -5.793 -6.101 540 1HB ALA 68 1HB ALA 68 -4.438 -3.814 -4.404 541 2HB ALA 68 2HB ALA 68 -2.794 -4.453 -4.145 542 3HB ALA 68 3HB ALA 68 -3.129 -3.366 -5.519 543 H PHE 69 H PHE 69 -2.747 -7.429 -4.597 544 HA PHE 69 HA PHE 69 -5.324 -8.531 -3.504 545 1HB PHE 69 2HB PHE 69 -2.776 -9.735 -4.397 546 2HB PHE 69 3HB PHE 69 -3.807 -10.596 -3.267 547 HD1 PHE 69 1HD PHE 69 -3.616 -9.221 -6.748 548 HD2 PHE 69 2HD PHE 69 -5.872 -11.629 -3.953 549 HE1 PHE 69 1HE PHE 69 -4.916 -10.163 -8.608 550 HE2 PHE 69 2HE PHE 69 -7.146 -12.610 -5.839 551 HZ PHE 69 HZ PHE 69 -6.674 -11.881 -8.171 552 H VAL 70 H VAL 70 -5.054 -6.781 -1.875 553 HA VAL 70 HA VAL 70 -3.064 -6.901 0.186 554 HB VAL 70 HB VAL 70 -4.253 -4.948 -0.137 555 1HG1 VAL 70 1HG1 VAL 70 -6.519 -4.599 0.369 556 2HG1 VAL 70 2HG1 VAL 70 -6.427 -5.940 -0.784 557 3HG1 VAL 70 3HG1 VAL 70 -6.734 -6.270 0.935 558 1HG2 VAL 70 1HG2 VAL 70 -3.297 -5.584 2.108 559 2HG2 VAL 70 2HG2 VAL 70 -4.660 -4.468 2.228 560 3HG2 VAL 70 3HG2 VAL 70 -4.897 -6.180 2.587 561 H LYS 71 H LYS 71 -2.624 -8.915 1.153 562 HA LYS 71 HA LYS 71 -4.758 -9.919 2.850 563 1HB LYS 71 2HB LYS 71 -4.692 -12.162 2.065 564 2HB LYS 71 3HB LYS 71 -5.408 -11.030 0.906 565 1HG LYS 71 2HG LYS 71 -3.322 -10.922 -0.314 566 2HG LYS 71 3HG LYS 71 -2.561 -12.021 0.833 567 1HD LYS 71 2HD LYS 71 -4.436 -13.702 0.296 568 2HD LYS 71 3HD LYS 71 -4.933 -12.619 -1.019 569 1HE LYS 71 2HE LYS 71 -2.689 -12.917 -2.084 570 2HE LYS 71 3HE LYS 71 -2.201 -13.971 -0.742 571 1HZ LYS 71 1HZ LYS 71 -4.375 -14.527 -2.656 572 2HZ LYS 71 2HZ LYS 71 -2.909 -15.264 -2.616 573 3HZ LYS 71 3HZ LYS 71 -3.969 -15.484 -1.382 574 H LYS 72 H LYS 72 -2.691 -8.724 3.920 575 HA LYS 72 HA LYS 72 -1.695 -10.861 5.586 576 1HB LYS 72 2HB LYS 72 0.105 -9.295 3.763 577 2HB LYS 72 3HB LYS 72 0.657 -9.544 5.428 578 1HG LYS 72 2HG LYS 72 0.362 -11.997 5.128 579 2HG LYS 72 3HG LYS 72 0.019 -11.728 3.409 580 1HD LYS 72 2HD LYS 72 2.161 -10.806 2.971 581 2HD LYS 72 3HD LYS 72 2.575 -10.651 4.678 582 1HE LYS 72 2HE LYS 72 2.139 -13.309 3.223 583 2HE LYS 72 3HE LYS 72 3.715 -12.547 3.469 584 1HZ LYS 72 1HZ LYS 72 1.921 -13.444 5.626 585 2HZ LYS 72 2HZ LYS 72 3.303 -14.182 5.140 586 3HZ LYS 72 3HZ LYS 72 3.373 -12.701 5.842 587 H ILE 73 H ILE 73 -1.385 -10.038 7.637 588 HA ILE 73 HA ILE 73 -1.459 -7.111 8.089 589 HB ILE 73 HB ILE 73 -3.138 -9.142 9.645 590 1HG1 ILE 73 2HG1 ILE 73 -4.995 -7.462 8.706 591 2HG1 ILE 73 3HG1 ILE 73 -3.855 -7.269 7.383 592 1HG2 ILE 73 1HG2 ILE 73 -2.892 -6.107 9.827 593 2HG2 ILE 73 2HG2 ILE 73 -4.070 -7.094 10.719 594 3HG2 ILE 73 3HG2 ILE 73 -2.354 -7.272 11.051 595 1HD1 ILE 73 1HD1 ILE 73 -5.107 -9.875 8.391 596 2HD1 ILE 73 2HD1 ILE 73 -5.568 -8.985 6.927 597 3HD1 ILE 73 3HD1 ILE 73 -3.994 -9.783 7.013 598 H GLU 74 H GLU 74 0.867 -7.899 7.982 599 HA GLU 74 HA GLU 74 1.770 -9.605 10.224 600 1HB GLU 74 2HB GLU 74 2.590 -9.907 7.938 601 2HB GLU 74 3HB GLU 74 3.314 -8.299 7.947 602 1HG GLU 74 2HG GLU 74 4.117 -10.180 10.158 603 2HG GLU 74 3HG GLU 74 4.673 -10.545 8.521 604 H GLY 75 H GLY 75 1.309 -8.349 12.073 605 1HA GLY 75 1HA GLY 75 2.965 -5.932 12.508 606 2HA GLY 75 2HA GLY 75 1.201 -5.757 12.558 607 H ARG 76 H ARG 76 1.763 -5.046 14.784 608 HA ARG 76 HA ARG 76 2.000 -7.242 16.767 609 1HB ARG 76 2HB ARG 76 3.241 -4.497 16.639 610 2HB ARG 76 3HB ARG 76 2.508 -4.937 18.175 611 1HG ARG 76 2HG ARG 76 4.411 -6.860 16.823 612 2HG ARG 76 3HG ARG 76 5.029 -5.499 17.786 613 1HD ARG 76 2HD ARG 76 3.870 -6.184 19.751 614 2HD ARG 76 3HD ARG 76 2.945 -7.428 18.881 615 HE ARG 76 HE ARG 76 5.597 -8.111 18.460 616 1HH1 ARG 76 1HH2 ARG 76 3.501 -7.686 21.255 617 2HH1 ARG 76 2HH2 ARG 76 4.292 -8.866 22.254 618 1HH2 ARG 76 1HH1 ARG 76 6.649 -9.747 19.721 619 2HH2 ARG 76 2HH1 ARG 76 6.122 -10.085 21.337 Start of MODEL 21 1 1H GLY 1 1H GLY 1 3.614 3.682 15.901 2 2H GLY 1 2H GLY 1 4.367 2.663 16.982 3 3H GLY 1 3H GLY 1 4.415 2.386 15.346 4 1HA GLY 1 1HA GLY 1 2.832 0.901 16.405 5 2HA GLY 1 2HA GLY 1 1.940 2.343 16.943 6 H GLU 2 H GLU 2 1.977 0.023 14.531 7 HA GLU 2 HA GLU 2 0.684 1.478 12.420 8 1HB GLU 2 2HB GLU 2 2.692 1.406 10.938 9 2HB GLU 2 3HB GLU 2 2.935 2.482 12.290 10 1HG GLU 2 2HG GLU 2 3.946 0.038 13.280 11 2HG GLU 2 3HG GLU 2 4.421 0.041 11.593 12 H VAL 3 H VAL 3 0.126 -0.143 10.713 13 HA VAL 3 HA VAL 3 1.027 -2.899 11.219 14 HB VAL 3 HB VAL 3 -1.042 -3.667 10.693 15 1HG1 VAL 3 1HG1 VAL 3 -1.366 -1.574 12.868 16 2HG1 VAL 3 2HG1 VAL 3 -2.311 -3.066 12.688 17 3HG1 VAL 3 3HG1 VAL 3 -0.583 -3.155 13.066 18 1HG2 VAL 3 1HG2 VAL 3 -1.929 -0.843 10.313 19 2HG2 VAL 3 2HG2 VAL 3 -1.924 -2.189 9.158 20 3HG2 VAL 3 3HG2 VAL 3 -3.064 -2.201 10.518 21 H VAL 4 H VAL 4 1.965 -3.819 9.496 22 HA VAL 4 HA VAL 4 2.312 -2.368 7.042 23 HB VAL 4 HB VAL 4 4.255 -3.117 7.799 24 1HG1 VAL 4 1HG1 VAL 4 2.865 -5.646 8.561 25 2HG1 VAL 4 2HG1 VAL 4 4.645 -5.520 8.478 26 3HG1 VAL 4 3HG1 VAL 4 3.737 -4.465 9.575 27 1HG2 VAL 4 1HG2 VAL 4 3.469 -5.441 6.025 28 2HG2 VAL 4 2HG2 VAL 4 3.687 -3.788 5.402 29 3HG2 VAL 4 3HG2 VAL 4 5.051 -4.646 6.164 30 H LEU 5 H LEU 5 0.689 -2.560 5.412 31 HA LEU 5 HA LEU 5 -0.838 -5.054 5.259 32 1HB LEU 5 2HB LEU 5 -2.146 -3.070 5.235 33 2HB LEU 5 3HB LEU 5 -1.017 -2.239 4.169 34 HG LEU 5 HG LEU 5 -1.587 -3.764 2.317 35 1HD1 LEU 5 1HD1 LEU 5 -3.852 -4.669 4.132 36 2HD1 LEU 5 2HD1 LEU 5 -3.467 -5.215 2.472 37 3HD1 LEU 5 3HD1 LEU 5 -2.396 -5.634 3.807 38 1HD2 LEU 5 1HD2 LEU 5 -3.754 -2.122 3.641 39 2HD2 LEU 5 2HD2 LEU 5 -2.517 -1.570 2.516 40 3HD2 LEU 5 3HD2 LEU 5 -3.798 -2.665 1.940 41 H LYS 6 H LYS 6 -0.003 -6.573 4.015 42 HA LYS 6 HA LYS 6 1.991 -6.024 1.926 43 1HB LYS 6 2HB LYS 6 1.490 -8.166 3.677 44 2HB LYS 6 3HB LYS 6 0.838 -8.736 2.165 45 1HG LYS 6 2HG LYS 6 2.900 -9.421 1.708 46 2HG LYS 6 3HG LYS 6 3.278 -7.759 1.280 47 1HD LYS 6 2HD LYS 6 4.134 -7.340 3.563 48 2HD LYS 6 3HD LYS 6 3.521 -8.921 4.090 49 1HE LYS 6 2HE LYS 6 5.050 -9.957 2.275 50 2HE LYS 6 3HE LYS 6 5.849 -8.379 2.196 51 1HZ LYS 6 1HZ LYS 6 5.523 -10.106 4.568 52 2HZ LYS 6 2HZ LYS 6 6.907 -9.944 3.704 53 3HZ LYS 6 3HZ LYS 6 6.313 -8.672 4.583 54 H MET 7 H MET 7 1.215 -5.592 -0.208 55 HA MET 7 HA MET 7 -1.373 -6.820 -1.008 56 1HB MET 7 2HB MET 7 -0.270 -4.276 -2.138 57 2HB MET 7 3HB MET 7 -1.875 -4.969 -2.260 58 1HG MET 7 2HG MET 7 -2.237 -4.518 0.168 59 2HG MET 7 3HG MET 7 -0.613 -3.807 0.257 60 1HE MET 7 1HE MET 7 -4.196 -3.364 -1.273 61 2HE MET 7 2HE MET 7 -4.024 -1.759 -2.026 62 3HE MET 7 3HE MET 7 -3.175 -3.146 -2.723 63 H LYS 8 H LYS 8 -0.975 -8.201 -2.790 64 HA LYS 8 HA LYS 8 1.656 -7.934 -4.213 65 1HB LYS 8 2HB LYS 8 1.051 -10.156 -3.392 66 2HB LYS 8 3HB LYS 8 -0.306 -10.230 -4.521 67 1HG LYS 8 2HG LYS 8 2.418 -9.470 -5.545 68 2HG LYS 8 3HG LYS 8 2.133 -11.144 -5.125 69 1HD LYS 8 2HD LYS 8 0.262 -9.666 -7.033 70 2HD LYS 8 3HD LYS 8 1.804 -10.288 -7.565 71 1HE LYS 8 2HE LYS 8 0.816 -12.224 -7.994 72 2HE LYS 8 3HE LYS 8 0.760 -12.526 -6.253 73 1HZ LYS 8 1HZ LYS 8 -1.303 -11.336 -7.967 74 2HZ LYS 8 2HZ LYS 8 -1.385 -12.792 -7.274 75 3HZ LYS 8 3HZ LYS 8 -1.483 -11.435 -6.334 76 H VAL 9 H VAL 9 1.700 -6.669 -5.981 77 HA VAL 9 HA VAL 9 -0.872 -5.989 -7.342 78 HB VAL 9 HB VAL 9 0.507 -4.171 -8.394 79 1HG1 VAL 9 1HG1 VAL 9 0.165 -4.115 -5.367 80 2HG1 VAL 9 2HG1 VAL 9 0.380 -2.694 -6.413 81 3HG1 VAL 9 3HG1 VAL 9 -1.056 -3.711 -6.595 82 1HG2 VAL 9 1HG2 VAL 9 2.789 -5.084 -7.869 83 2HG2 VAL 9 2HG2 VAL 9 2.551 -3.416 -7.339 84 3HG2 VAL 9 3HG2 VAL 9 2.505 -4.723 -6.151 85 H GLU 10 H GLU 10 -0.693 -5.837 -9.755 86 HA GLU 10 HA GLU 10 1.146 -7.919 -10.873 87 1HB GLU 10 2HB GLU 10 -1.563 -7.218 -11.946 88 2HB GLU 10 3HB GLU 10 -0.503 -8.545 -12.433 89 1HG GLU 10 2HG GLU 10 -1.742 -8.331 -9.647 90 2HG GLU 10 3HG GLU 10 -2.484 -9.153 -11.018 91 H GLY 11 H GLY 11 2.155 -7.265 -12.885 92 1HA GLY 11 1HA GLY 11 2.308 -6.150 -14.906 93 2HA GLY 11 2HA GLY 11 0.936 -5.132 -14.467 94 H MET 12 H MET 12 2.130 -4.150 -11.968 95 HA MET 12 HA MET 12 3.502 -1.868 -12.939 96 1HB MET 12 2HB MET 12 3.274 -3.034 -10.145 97 2HB MET 12 3HB MET 12 4.031 -1.478 -10.575 98 1HG MET 12 2HG MET 12 1.959 -0.572 -11.362 99 2HG MET 12 3HG MET 12 1.160 -2.145 -11.343 100 1HE MET 12 1HE MET 12 2.988 0.416 -8.975 101 2HE MET 12 2HE MET 12 2.366 -0.097 -7.384 102 3HE MET 12 3HE MET 12 3.439 -1.171 -8.298 103 H THR 13 H THR 13 5.131 -2.891 -14.221 104 HA THR 13 HA THR 13 7.596 -3.727 -12.770 105 HB THR 13 HB THR 13 7.056 -4.023 -15.721 106 HG1 THR 13 1HG THR 13 6.026 -5.886 -15.336 107 1HG2 THR 13 1HG2 THR 13 8.683 -5.654 -13.713 108 2HG2 THR 13 2HG2 THR 13 8.557 -5.979 -15.454 109 3HG2 THR 13 3HG2 THR 13 9.372 -4.515 -14.886 110 H CYS 14 HN CYS 14 7.210 -0.937 -12.569 111 HA CYS 14 HA CYS 14 9.715 -0.213 -13.704 112 1HB CYS 14 2HB CYS 14 9.159 1.631 -15.071 113 2HB CYS 14 3HB CYS 14 8.224 0.282 -15.685 114 H HIS 15 H HIS 15 10.389 1.957 -13.025 115 HA HIS 15 HA HIS 15 9.791 2.464 -10.262 116 1HB HIS 15 2HB HIS 15 11.541 3.698 -12.359 117 2HB HIS 15 3HB HIS 15 11.053 4.712 -11.003 118 HD1 HIS 15 1HD HIS 15 13.064 4.773 -9.424 119 HD2 HIS 15 2HD HIS 15 12.010 0.928 -10.766 120 HE1 HIS 15 1HE HIS 15 14.470 3.118 -8.082 121 H SER 16 H SER 16 8.559 3.881 -13.334 122 HA SER 16 HA SER 16 7.603 6.240 -12.238 123 1HB SER 16 2HB SER 16 6.319 4.721 -14.539 124 2HB SER 16 3HB SER 16 6.301 6.468 -14.233 125 HG SER 16 HG SER 16 7.948 5.796 -15.746 126 H CYS 17 HN CYS 17 5.628 3.226 -12.790 127 HA CYS 17 HA CYS 17 3.281 4.216 -11.603 128 1HB CYS 17 2HB CYS 17 4.246 1.319 -11.602 129 2HB CYS 17 3HB CYS 17 2.594 1.907 -11.413 130 H THR 18 H THR 18 5.800 2.133 -10.183 131 HA THR 18 HA THR 18 4.781 1.866 -7.587 132 HB THR 18 HB THR 18 7.160 1.319 -7.022 133 HG1 THR 18 1HG THR 18 7.806 1.561 -9.739 134 1HG2 THR 18 1HG2 THR 18 6.236 0.072 -9.674 135 2HG2 THR 18 2HG2 THR 18 7.308 -0.638 -8.458 136 3HG2 THR 18 3HG2 THR 18 5.600 -0.386 -8.101 137 H SER 19 H SER 19 7.297 4.181 -8.697 138 HA SER 19 HA SER 19 7.442 5.660 -6.287 139 1HB SER 19 2HB SER 19 9.099 5.718 -8.144 140 2HB SER 19 3HB SER 19 7.950 6.665 -9.121 141 HG SER 19 HG SER 19 9.509 7.939 -7.946 142 H THR 20 H THR 20 5.319 6.207 -9.184 143 HA THR 20 HA THR 20 4.213 8.664 -8.271 144 HB THR 20 HB THR 20 3.007 6.484 -10.029 145 HG1 THR 20 1HG THR 20 4.811 7.437 -10.894 146 1HG2 THR 20 1HG2 THR 20 2.086 9.351 -9.548 147 2HG2 THR 20 2HG2 THR 20 1.531 8.305 -10.872 148 3HG2 THR 20 3HG2 THR 20 1.164 7.868 -9.197 149 H ILE 21 H ILE 21 3.138 5.241 -7.694 150 HA ILE 21 HA ILE 21 0.877 5.962 -6.117 151 HB ILE 21 HB ILE 21 2.588 3.531 -6.742 152 1HG1 ILE 21 2HG1 ILE 21 -0.422 3.787 -6.778 153 2HG1 ILE 21 3HG1 ILE 21 0.578 4.500 -8.043 154 1HG2 ILE 21 1HG2 ILE 21 1.199 2.132 -5.305 155 2HG2 ILE 21 2HG2 ILE 21 2.298 3.205 -4.427 156 3HG2 ILE 21 3HG2 ILE 21 0.550 3.612 -4.548 157 1HD1 ILE 21 1HD1 ILE 21 0.534 1.543 -7.340 158 2HD1 ILE 21 2HD1 ILE 21 -0.172 2.335 -8.752 159 3HD1 ILE 21 3HD1 ILE 21 1.583 2.318 -8.558 160 H GLU 22 H GLU 22 4.263 5.050 -5.245 161 HA GLU 22 HA GLU 22 4.012 5.297 -2.500 162 1HB GLU 22 2HB GLU 22 6.181 5.139 -4.420 163 2HB GLU 22 3HB GLU 22 6.605 6.367 -3.251 164 1HG GLU 22 2HG GLU 22 6.201 4.763 -1.412 165 2HG GLU 22 3HG GLU 22 5.590 3.582 -2.587 166 H GLY 23 H GLY 23 4.765 7.896 -4.831 167 1HA GLY 23 1HA GLY 23 4.859 10.094 -3.091 168 2HA GLY 23 2HA GLY 23 4.329 10.136 -4.783 169 H LYS 24 H LYS 24 1.978 8.807 -4.911 170 HA LYS 24 HA LYS 24 0.303 10.801 -3.822 171 1HB LYS 24 2HB LYS 24 0.036 9.085 -5.901 172 2HB LYS 24 3HB LYS 24 -0.948 8.209 -4.742 173 1HG LYS 24 2HG LYS 24 -2.411 10.114 -4.392 174 2HG LYS 24 3HG LYS 24 -1.293 11.194 -5.248 175 1HD LYS 24 2HD LYS 24 -1.693 9.839 -7.354 176 2HD LYS 24 3HD LYS 24 -2.941 8.949 -6.462 177 1HE LYS 24 2HE LYS 24 -4.018 10.650 -7.791 178 2HE LYS 24 3HE LYS 24 -4.184 11.086 -6.084 179 1HZ LYS 24 1HZ LYS 24 -2.197 12.209 -7.964 180 2HZ LYS 24 2HZ LYS 24 -3.577 12.953 -7.477 181 3HZ LYS 24 3HZ LYS 24 -2.383 12.654 -6.390 182 H ILE 25 H ILE 25 0.613 7.394 -2.940 183 HA ILE 25 HA ILE 25 -1.318 7.537 -0.813 184 HB ILE 25 HB ILE 25 0.755 5.443 -1.382 185 1HG1 ILE 25 2HG1 ILE 25 -0.766 5.800 -3.277 186 2HG1 ILE 25 3HG1 ILE 25 -0.770 4.184 -2.563 187 1HG2 ILE 25 1HG2 ILE 25 -0.028 5.227 0.930 188 2HG2 ILE 25 2HG2 ILE 25 -1.701 5.365 0.402 189 3HG2 ILE 25 3HG2 ILE 25 -0.741 3.949 -0.063 190 1HD1 ILE 25 1HD1 ILE 25 -2.809 6.337 -1.970 191 2HD1 ILE 25 2HD1 ILE 25 -3.013 4.993 -3.125 192 3HD1 ILE 25 3HD1 ILE 25 -2.827 4.648 -1.393 193 H GLY 26 H GLY 26 2.219 7.941 -0.971 194 1HA GLY 26 1HA GLY 26 2.942 8.082 1.682 195 2HA GLY 26 2HA GLY 26 3.544 9.160 0.410 196 H LYS 27 H LYS 27 0.954 10.480 -0.153 197 HA LYS 27 HA LYS 27 1.128 12.381 1.980 198 1HB LYS 27 2HB LYS 27 1.139 12.789 -0.502 199 2HB LYS 27 3HB LYS 27 -0.607 12.468 -0.525 200 1HG LYS 27 2HG LYS 27 -1.031 14.365 0.878 201 2HG LYS 27 3HG LYS 27 0.657 14.414 1.398 202 1HD LYS 27 2HD LYS 27 0.451 16.272 0.017 203 2HD LYS 27 3HD LYS 27 1.332 15.072 -0.939 204 1HE LYS 27 2HE LYS 27 -0.823 14.498 -2.118 205 2HE LYS 27 3HE LYS 27 -1.658 15.720 -1.143 206 1HZ LYS 27 1HZ LYS 27 0.509 16.245 -3.069 207 2HZ LYS 27 2HZ LYS 27 -1.083 16.612 -3.263 208 3HZ LYS 27 3HZ LYS 27 -0.199 17.384 -2.117 209 H LEU 28 H LEU 28 -0.675 9.517 2.046 210 HA LEU 28 HA LEU 28 -3.251 10.611 2.653 211 1HB LEU 28 2HB LEU 28 -2.009 7.975 3.443 212 2HB LEU 28 3HB LEU 28 -3.677 8.441 3.630 213 HG LEU 28 HG LEU 28 -2.339 7.421 1.242 214 1HD1 LEU 28 1HD1 LEU 28 -4.506 6.474 0.829 215 2HD1 LEU 28 2HD1 LEU 28 -4.150 6.331 2.561 216 3HD1 LEU 28 3HD1 LEU 28 -5.267 7.583 1.995 217 1HD2 LEU 28 1HD2 LEU 28 -2.696 9.697 0.334 218 2HD2 LEU 28 2HD2 LEU 28 -3.785 8.526 -0.395 219 3HD2 LEU 28 3HD2 LEU 28 -4.400 9.631 0.851 220 H GLN 29 H GLN 29 -4.186 11.130 4.530 221 HA GLN 29 HA GLN 29 -2.499 11.732 6.781 222 1HB GLN 29 2HB GLN 29 -4.461 12.859 7.673 223 2HB GLN 29 3HB GLN 29 -4.161 13.270 5.980 224 1HG GLN 29 2HG GLN 29 -5.881 11.120 5.722 225 2HG GLN 29 3HG GLN 29 -6.455 11.822 7.230 226 1HE2 GLN 29 2HE2 GLN 29 -7.874 11.639 4.660 227 2HE2 GLN 29 1HE2 GLN 29 -8.186 13.292 4.161 228 H GLY 30 H GLY 30 -1.797 9.684 7.434 229 1HA GLY 30 1HA GLY 30 -2.759 8.463 9.649 230 2HA GLY 30 2HA GLY 30 -3.801 7.724 8.448 231 H VAL 31 H VAL 31 -1.113 8.047 6.625 232 HA VAL 31 HA VAL 31 -0.302 5.362 7.213 233 HB VAL 31 HB VAL 31 -0.580 6.508 4.931 234 1HG1 VAL 31 1HG1 VAL 31 1.223 7.762 3.976 235 2HG1 VAL 31 2HG1 VAL 31 0.737 8.568 5.476 236 3HG1 VAL 31 3HG1 VAL 31 2.215 7.591 5.434 237 1HG2 VAL 31 1HG2 VAL 31 1.158 5.204 3.849 238 2HG2 VAL 31 2HG2 VAL 31 2.097 5.118 5.351 239 3HG2 VAL 31 3HG2 VAL 31 0.536 4.281 5.229 240 H GLN 32 H GLN 32 1.847 4.710 7.691 241 HA GLN 32 HA GLN 32 3.410 6.645 9.362 242 1HB GLN 32 2HB GLN 32 2.784 3.700 9.640 243 2HB GLN 32 3HB GLN 32 4.123 4.459 10.506 244 1HG GLN 32 2HG GLN 32 1.477 5.778 10.707 245 2HG GLN 32 3HG GLN 32 1.710 4.288 11.614 246 1HE2 GLN 32 2HE2 GLN 32 2.447 4.616 13.691 247 2HE2 GLN 32 1HE2 GLN 32 3.478 5.976 14.160 248 H ARG 33 H ARG 33 3.555 4.016 6.892 249 HA ARG 33 HA ARG 33 6.075 5.021 5.861 250 1HB ARG 33 2HB ARG 33 6.539 3.551 7.986 251 2HB ARG 33 3HB ARG 33 6.095 2.190 6.944 252 1HG ARG 33 2HG ARG 33 7.911 2.823 5.377 253 2HG ARG 33 3HG ARG 33 8.378 4.128 6.486 254 1HD ARG 33 2HD ARG 33 8.309 1.130 7.161 255 2HD ARG 33 3HD ARG 33 9.742 2.070 6.785 256 HE ARG 33 HE ARG 33 9.709 3.145 8.827 257 1HH1 ARG 33 1HH2 ARG 33 6.801 1.030 8.653 258 2HH1 ARG 33 2HH2 ARG 33 6.475 1.310 10.372 259 1HH2 ARG 33 1HH1 ARG 33 9.124 3.321 11.129 260 2HH2 ARG 33 2HH1 ARG 33 7.647 2.482 11.617 261 H ILE 34 H ILE 34 6.591 3.759 3.824 262 HA ILE 34 HA ILE 34 4.469 2.133 2.795 263 HB ILE 34 HB ILE 34 3.486 4.310 2.507 264 1HG1 ILE 34 2HG1 ILE 34 4.720 3.334 -0.103 265 2HG1 ILE 34 3HG1 ILE 34 3.385 2.583 0.752 266 1HG2 ILE 34 1HG2 ILE 34 5.516 5.761 2.650 267 2HG2 ILE 34 2HG2 ILE 34 5.951 5.264 1.000 268 3HG2 ILE 34 3HG2 ILE 34 4.451 6.167 1.309 269 1HD1 ILE 34 1HD1 ILE 34 3.334 5.393 -0.409 270 2HD1 ILE 34 2HD1 ILE 34 2.507 3.955 -1.041 271 3HD1 ILE 34 3HD1 ILE 34 2.048 4.633 0.540 272 H LYS 35 H LYS 35 5.338 0.885 1.218 273 HA LYS 35 HA LYS 35 7.885 1.516 0.082 274 1HB LYS 35 2HB LYS 35 7.570 -0.636 2.115 275 2HB LYS 35 3HB LYS 35 8.510 -1.016 0.661 276 1HG LYS 35 2HG LYS 35 9.051 1.283 2.573 277 2HG LYS 35 3HG LYS 35 9.809 -0.313 2.627 278 1HD LYS 35 2HD LYS 35 10.567 0.104 0.181 279 2HD LYS 35 3HD LYS 35 9.971 1.747 0.397 280 1HE LYS 35 2HE LYS 35 12.315 1.844 0.791 281 2HE LYS 35 3HE LYS 35 11.526 2.032 2.363 282 1HZ LYS 35 1HZ LYS 35 12.715 -0.456 1.300 283 2HZ LYS 35 2HZ LYS 35 13.381 0.511 2.451 284 3HZ LYS 35 3HZ LYS 35 11.995 -0.310 2.773 285 H VAL 36 H VAL 36 8.195 0.558 -2.002 286 HA VAL 36 HA VAL 36 6.217 -1.558 -2.735 287 HB VAL 36 HB VAL 36 7.085 0.790 -4.479 288 1HG1 VAL 36 1HG1 VAL 36 5.300 -0.131 -5.977 289 2HG1 VAL 36 2HG1 VAL 36 6.715 -1.204 -5.855 290 3HG1 VAL 36 3HG1 VAL 36 5.214 -1.576 -4.972 291 1HG2 VAL 36 1HG2 VAL 36 5.410 1.419 -2.728 292 2HG2 VAL 36 2HG2 VAL 36 4.732 1.472 -4.353 293 3HG2 VAL 36 3HG2 VAL 36 4.360 0.105 -3.277 294 H SER 37 H SER 37 7.016 -3.340 -3.588 295 HA SER 37 HA SER 37 9.948 -3.534 -4.139 296 1HB SER 37 2HB SER 37 8.136 -5.753 -3.356 297 2HB SER 37 3HB SER 37 9.893 -5.717 -3.326 298 HG SER 37 HG SER 37 8.639 -5.414 -1.267 299 H LEU 38 H LEU 38 9.464 -2.771 -6.346 300 HA LEU 38 HA LEU 38 7.512 -3.846 -8.019 301 1HB LEU 38 2HB LEU 38 8.361 -2.531 -9.622 302 2HB LEU 38 3HB LEU 38 9.252 -1.861 -8.260 303 HG LEU 38 HG LEU 38 11.152 -3.518 -9.029 304 1HD1 LEU 38 1HD1 LEU 38 9.716 -4.678 -10.821 305 2HD1 LEU 38 2HD1 LEU 38 9.583 -3.111 -11.628 306 3HD1 LEU 38 3HD1 LEU 38 11.162 -3.898 -11.467 307 1HD2 LEU 38 1HD2 LEU 38 10.363 -1.018 -10.563 308 2HD2 LEU 38 2HD2 LEU 38 11.326 -1.091 -9.070 309 3HD2 LEU 38 3HD2 LEU 38 11.976 -1.769 -10.571 310 H ASP 39 H ASP 39 10.815 -4.987 -7.424 311 HA ASP 39 HA ASP 39 11.271 -6.923 -9.232 312 1HB ASP 39 2HB ASP 39 11.649 -7.365 -6.226 313 2HB ASP 39 3HB ASP 39 12.613 -8.026 -7.533 314 H ASN 40 H ASN 40 9.441 -7.333 -6.221 315 HA ASN 40 HA ASN 40 8.740 -10.062 -7.029 316 1HB ASN 40 2HB ASN 40 9.767 -9.295 -4.763 317 2HB ASN 40 3HB ASN 40 8.055 -9.172 -4.325 318 1HD2 ASN 40 2HD2 ASN 40 10.762 -11.268 -4.921 319 2HD2 ASN 40 1HD2 ASN 40 9.908 -12.789 -4.725 320 H GLN 41 H GLN 41 7.531 -7.364 -7.977 321 HA GLN 41 HA GLN 41 5.891 -6.031 -7.856 322 1HB GLN 41 2HB GLN 41 5.647 -8.114 -9.518 323 2HB GLN 41 3HB GLN 41 4.105 -8.314 -8.692 324 1HG GLN 41 2HG GLN 41 3.272 -6.400 -9.631 325 2HG GLN 41 3HG GLN 41 4.782 -5.514 -9.602 326 1HE2 GLN 41 2HE2 GLN 41 5.944 -5.291 -11.415 327 2HE2 GLN 41 1HE2 GLN 41 5.651 -6.129 -12.919 328 H GLU 42 H GLU 42 6.242 -6.093 -5.461 329 HA GLU 42 HA GLU 42 3.693 -6.730 -4.015 330 1HB GLU 42 2HB GLU 42 6.167 -7.761 -3.447 331 2HB GLU 42 3HB GLU 42 6.197 -6.277 -2.476 332 1HG GLU 42 2HG GLU 42 4.035 -6.971 -1.426 333 2HG GLU 42 3HG GLU 42 4.110 -8.479 -2.360 334 H ALA 43 H ALA 43 2.886 -5.167 -2.582 335 HA ALA 43 HA ALA 43 4.231 -2.527 -2.447 336 1HB ALA 43 1HB ALA 43 2.442 -2.224 -4.030 337 2HB ALA 43 2HB ALA 43 1.280 -3.002 -2.946 338 3HB ALA 43 3HB ALA 43 2.002 -1.443 -2.497 339 H THR 44 H THR 44 4.362 -1.739 -0.492 340 HA THR 44 HA THR 44 3.401 -3.244 1.923 341 HB THR 44 HB THR 44 5.942 -1.608 1.278 342 HG1 THR 44 1HG THR 44 6.932 -3.620 1.341 343 1HG2 THR 44 1HG2 THR 44 5.087 -3.099 3.803 344 2HG2 THR 44 2HG2 THR 44 6.719 -2.476 3.518 345 3HG2 THR 44 3HG2 THR 44 5.361 -1.352 3.653 346 H ILE 45 H ILE 45 1.729 -2.057 2.724 347 HA ILE 45 HA ILE 45 2.047 0.955 2.708 348 HB ILE 45 HB ILE 45 -0.440 -0.751 2.603 349 1HG1 ILE 45 2HG1 ILE 45 0.812 -0.948 0.476 350 2HG1 ILE 45 3HG1 ILE 45 -0.744 -0.111 0.329 351 1HG2 ILE 45 1HG2 ILE 45 0.039 2.251 2.533 352 2HG2 ILE 45 2HG2 ILE 45 -1.455 1.466 1.987 353 3HG2 ILE 45 3HG2 ILE 45 -0.932 1.301 3.681 354 1HD1 ILE 45 1HD1 ILE 45 2.012 1.088 0.283 355 2HD1 ILE 45 2HD1 ILE 45 0.883 0.960 -1.059 356 3HD1 ILE 45 3HD1 ILE 45 0.522 2.066 0.278 357 H VAL 46 H VAL 46 2.842 1.442 4.750 358 HA VAL 46 HA VAL 46 1.866 -0.260 6.984 359 HB VAL 46 HB VAL 46 4.081 1.692 7.270 360 1HG1 VAL 46 1HG1 VAL 46 3.908 -1.028 8.529 361 2HG1 VAL 46 2HG1 VAL 46 4.597 0.474 9.162 362 3HG1 VAL 46 3HG1 VAL 46 2.840 0.250 9.106 363 1HG2 VAL 46 1HG2 VAL 46 4.849 0.408 5.333 364 2HG2 VAL 46 2HG2 VAL 46 5.681 -0.217 6.763 365 3HG2 VAL 46 3HG2 VAL 46 4.311 -1.112 6.079 366 H TYR 47 H TYR 47 0.080 0.561 7.964 367 HA TYR 47 HA TYR 47 -0.111 3.534 8.210 368 1HB TYR 47 2HB TYR 47 -2.289 3.570 7.357 369 2HB TYR 47 3HB TYR 47 -1.398 2.542 6.239 370 HD1 TYR 47 1HD TYR 47 -4.182 2.737 8.576 371 HD2 TYR 47 2HD TYR 47 -1.656 -0.004 6.400 372 HE1 TYR 47 1HE TYR 47 -5.795 0.918 8.983 373 HE2 TYR 47 2HE TYR 47 -3.185 -1.862 7.005 374 HH TYR 47 HH TYR 47 -5.988 -1.365 9.172 375 H GLN 48 H GLN 48 -1.850 4.270 9.677 376 HA GLN 48 HA GLN 48 -1.573 2.681 12.143 377 1HB GLN 48 2HB GLN 48 -0.808 5.037 11.879 378 2HB GLN 48 3HB GLN 48 -2.489 5.539 11.788 379 1HG GLN 48 2HG GLN 48 -2.961 4.608 14.020 380 2HG GLN 48 3HG GLN 48 -1.375 3.813 14.072 381 1HE2 GLN 48 2HE2 GLN 48 -1.649 5.059 16.268 382 2HE2 GLN 48 1HE2 GLN 48 -0.865 6.629 16.265 383 HA PRO 49 HA PRO 49 -5.814 1.520 11.081 384 1HB PRO 49 2HB PRO 49 -6.221 -0.535 12.806 385 2HB PRO 49 3HB PRO 49 -5.020 -0.637 11.492 386 1HG PRO 49 2HG PRO 49 -4.497 0.164 14.372 387 2HG PRO 49 3HG PRO 49 -3.686 -1.127 13.443 388 1HD PRO 49 2HD PRO 49 -2.604 1.343 13.630 389 2HD PRO 49 3HD PRO 49 -2.550 0.472 12.075 390 H HIS 50 H HIS 50 -6.169 3.718 11.860 391 HA HIS 50 HA HIS 50 -8.473 3.889 13.527 392 1HB HIS 50 2HB HIS 50 -5.859 4.446 14.840 393 2HB HIS 50 3HB HIS 50 -6.961 5.816 14.882 394 HD1 HIS 50 1HD HIS 50 -7.915 2.101 15.394 395 HD2 HIS 50 2HD HIS 50 -7.848 5.839 17.319 396 HE1 HIS 50 1HE HIS 50 -9.145 1.803 17.627 397 H LEU 51 H LEU 51 -5.694 5.528 11.906 398 HA LEU 51 HA LEU 51 -7.249 7.965 11.540 399 1HB LEU 51 2HB LEU 51 -4.569 7.106 10.609 400 2HB LEU 51 3HB LEU 51 -5.232 8.722 10.339 401 HG LEU 51 HG LEU 51 -4.833 7.469 13.104 402 1HD1 LEU 51 1HD1 LEU 51 -3.117 9.570 11.720 403 2HD1 LEU 51 2HD1 LEU 51 -2.889 8.923 13.358 404 3HD1 LEU 51 3HD1 LEU 51 -2.658 7.868 11.958 405 1HD2 LEU 51 1HD2 LEU 51 -5.525 10.310 12.240 406 2HD2 LEU 51 2HD2 LEU 51 -6.547 9.210 13.193 407 3HD2 LEU 51 3HD2 LEU 51 -5.057 9.845 13.888 408 H ILE 52 H ILE 52 -6.077 5.289 9.391 409 HA ILE 52 HA ILE 52 -7.990 6.107 7.332 410 HB ILE 52 HB ILE 52 -5.421 6.990 7.232 411 1HG1 ILE 52 2HG1 ILE 52 -5.566 6.687 4.689 412 2HG1 ILE 52 3HG1 ILE 52 -7.143 5.955 5.082 413 1HG2 ILE 52 1HG2 ILE 52 -4.488 4.656 7.407 414 2HG2 ILE 52 2HG2 ILE 52 -5.187 4.322 5.782 415 3HG2 ILE 52 3HG2 ILE 52 -3.953 5.590 6.010 416 1HD1 ILE 52 1HD1 ILE 52 -6.154 8.765 5.785 417 2HD1 ILE 52 2HD1 ILE 52 -7.350 8.388 4.534 418 3HD1 ILE 52 3HD1 ILE 52 -7.748 8.134 6.246 419 H SER 53 H SER 53 -8.407 4.267 5.854 420 HA SER 53 HA SER 53 -8.175 1.690 7.327 421 1HB SER 53 2HB SER 53 -10.166 1.079 6.075 422 2HB SER 53 3HB SER 53 -10.404 2.661 6.834 423 HG SER 53 HG SER 53 -10.063 3.659 4.903 424 H VAL 54 H VAL 54 -7.955 -0.320 6.145 425 HA VAL 54 HA VAL 54 -6.057 -0.524 4.034 426 HB VAL 54 HB VAL 54 -8.320 -2.342 4.897 427 1HG1 VAL 54 1HG1 VAL 54 -7.123 -4.097 3.529 428 2HG1 VAL 54 2HG1 VAL 54 -7.940 -2.874 2.555 429 3HG1 VAL 54 3HG1 VAL 54 -6.177 -2.786 2.783 430 1HG2 VAL 54 1HG2 VAL 54 -6.431 -2.150 6.480 431 2HG2 VAL 54 2HG2 VAL 54 -6.491 -3.764 5.749 432 3HG2 VAL 54 3HG2 VAL 54 -5.293 -2.600 5.184 433 H GLU 55 H GLU 55 -9.618 0.002 4.033 434 HA GLU 55 HA GLU 55 -9.935 -0.476 1.249 435 1HB GLU 55 2HB GLU 55 -11.790 -0.516 2.840 436 2HB GLU 55 3HB GLU 55 -11.622 1.242 3.007 437 1HG GLU 55 2HG GLU 55 -13.063 1.407 1.246 438 2HG GLU 55 3HG GLU 55 -11.782 0.704 0.242 439 H GLU 56 H GLU 56 -9.375 2.633 3.062 440 HA GLU 56 HA GLU 56 -9.311 4.358 0.858 441 1HB GLU 56 2HB GLU 56 -8.157 4.281 3.627 442 2HB GLU 56 3HB GLU 56 -7.499 5.463 2.546 443 1HG GLU 56 2HG GLU 56 -9.459 6.551 2.348 444 2HG GLU 56 3HG GLU 56 -10.510 5.166 2.704 445 H MET 57 H MET 57 -6.472 2.560 2.362 446 HA MET 57 HA MET 57 -4.642 3.135 0.417 447 1HB MET 57 2HB MET 57 -5.041 0.567 1.874 448 2HB MET 57 3HB MET 57 -3.607 1.063 1.004 449 1HG MET 57 2HG MET 57 -4.783 2.415 3.432 450 2HG MET 57 3HG MET 57 -3.300 1.486 3.363 451 1HE MET 57 1HE MET 57 -2.185 5.138 4.155 452 2HE MET 57 2HE MET 57 -3.136 3.797 4.850 453 3HE MET 57 3HE MET 57 -1.495 3.503 4.234 454 H LYS 58 H LYS 58 -6.712 0.156 0.281 455 HA LYS 58 HA LYS 58 -5.831 -0.503 -2.331 456 1HB LYS 58 2HB LYS 58 -6.648 -2.263 -1.524 457 2HB LYS 58 3HB LYS 58 -7.973 -1.520 -0.515 458 1HG LYS 58 2HG LYS 58 -9.260 -1.268 -2.651 459 2HG LYS 58 3HG LYS 58 -7.844 -1.897 -3.508 460 1HD LYS 58 2HD LYS 58 -8.287 -4.071 -2.064 461 2HD LYS 58 3HD LYS 58 -9.918 -3.357 -1.843 462 1HE LYS 58 2HE LYS 58 -9.912 -2.880 -4.363 463 2HE LYS 58 3HE LYS 58 -8.353 -3.757 -4.433 464 1HZ LYS 58 1HZ LYS 58 -10.991 -4.905 -4.006 465 2HZ LYS 58 2HZ LYS 58 -9.904 -5.022 -5.271 466 3HZ LYS 58 3HZ LYS 58 -9.560 -5.746 -3.824 467 H LYS 59 H LYS 59 -8.915 1.047 -1.453 468 HA LYS 59 HA LYS 59 -9.960 1.373 -3.975 469 1HB LYS 59 2HB LYS 59 -10.899 2.036 -1.650 470 2HB LYS 59 3HB LYS 59 -10.075 3.572 -1.907 471 1HG LYS 59 2HG LYS 59 -11.553 3.086 -4.297 472 2HG LYS 59 3HG LYS 59 -12.562 2.435 -3.008 473 1HD LYS 59 2HD LYS 59 -11.891 4.860 -1.877 474 2HD LYS 59 3HD LYS 59 -11.671 5.254 -3.582 475 1HE LYS 59 2HE LYS 59 -13.915 5.850 -3.116 476 2HE LYS 59 3HE LYS 59 -14.051 4.300 -3.957 477 1HZ LYS 59 1HZ LYS 59 -14.176 4.732 -1.034 478 2HZ LYS 59 2HZ LYS 59 -15.441 4.358 -2.012 479 3HZ LYS 59 3HZ LYS 59 -14.250 3.256 -1.748 480 H GLN 60 H GLN 60 -7.680 3.588 -2.221 481 HA GLN 60 HA GLN 60 -7.339 5.407 -4.414 482 1HB GLN 60 2HB GLN 60 -5.475 4.546 -2.238 483 2HB GLN 60 3HB GLN 60 -5.135 5.907 -3.317 484 1HG GLN 60 2HG GLN 60 -7.771 5.932 -1.835 485 2HG GLN 60 3HG GLN 60 -6.285 6.291 -0.958 486 1HE2 GLN 60 2HE2 GLN 60 -5.938 8.460 -0.792 487 2HE2 GLN 60 1HE2 GLN 60 -6.322 9.623 -2.049 488 H ILE 61 H ILE 61 -5.458 2.419 -3.590 489 HA ILE 61 HA ILE 61 -3.680 2.748 -5.847 490 HB ILE 61 HB ILE 61 -4.140 0.373 -4.041 491 1HG1 ILE 61 2HG1 ILE 61 -2.073 2.629 -4.235 492 2HG1 ILE 61 3HG1 ILE 61 -3.234 2.406 -2.949 493 1HG2 ILE 61 1HG2 ILE 61 -2.026 -0.488 -5.043 494 2HG2 ILE 61 2HG2 ILE 61 -3.269 -0.356 -6.270 495 3HG2 ILE 61 3HG2 ILE 61 -2.007 0.888 -6.173 496 1HD1 ILE 61 1HD1 ILE 61 -0.842 0.660 -3.536 497 2HD1 ILE 61 2HD1 ILE 61 -1.183 1.642 -2.101 498 3HD1 ILE 61 3HD1 ILE 61 -2.155 0.190 -2.421 499 H GLU 62 H GLU 62 -6.247 0.102 -5.397 500 HA GLU 62 HA GLU 62 -6.191 -0.694 -8.043 501 1HB GLU 62 2HB GLU 62 -7.781 -1.152 -5.686 502 2HB GLU 62 3HB GLU 62 -8.906 -0.612 -6.909 503 1HG GLU 62 2HG GLU 62 -7.877 -2.382 -8.430 504 2HG GLU 62 3HG GLU 62 -6.946 -2.940 -7.032 505 H ALA 63 H ALA 63 -7.807 2.291 -6.754 506 HA ALA 63 HA ALA 63 -9.374 2.821 -9.041 507 1HB ALA 63 1HB ALA 63 -7.906 4.714 -7.189 508 2HB ALA 63 2HB ALA 63 -9.073 5.237 -8.420 509 3HB ALA 63 3HB ALA 63 -9.619 4.202 -7.097 510 H MET 64 H MET 64 -5.834 3.143 -8.664 511 HA MET 64 HA MET 64 -5.270 4.760 -10.930 512 1HB MET 64 2HB MET 64 -3.771 2.409 -9.747 513 2HB MET 64 3HB MET 64 -3.155 3.539 -10.948 514 1HG MET 64 2HG MET 64 -3.983 4.321 -8.127 515 2HG MET 64 3HG MET 64 -2.355 4.002 -8.717 516 1HE MET 64 1HE MET 64 -1.195 6.105 -8.024 517 2HE MET 64 2HE MET 64 -1.857 7.725 -8.260 518 3HE MET 64 3HE MET 64 -2.683 6.577 -7.169 519 H GLY 65 H GLY 65 -5.988 1.275 -10.537 520 1HA GLY 65 1HA GLY 65 -7.269 0.363 -12.509 521 2HA GLY 65 2HA GLY 65 -5.864 0.813 -13.494 522 H PHE 66 H PHE 66 -4.215 0.127 -10.888 523 HA PHE 66 HA PHE 66 -3.372 -2.395 -11.928 524 1HB PHE 66 2HB PHE 66 -2.674 -0.936 -9.381 525 2HB PHE 66 3HB PHE 66 -1.707 -2.237 -10.104 526 HD1 PHE 66 1HD PHE 66 -1.189 -1.697 -12.796 527 HD2 PHE 66 2HD PHE 66 -1.861 1.193 -9.671 528 HE1 PHE 66 1HE PHE 66 -0.175 0.077 -14.208 529 HE2 PHE 66 2HE PHE 66 -0.822 2.956 -11.085 530 HZ PHE 66 HZ PHE 66 -0.080 2.413 -13.379 531 HA PRO 67 HA PRO 67 -6.215 -4.627 -9.105 532 1HB PRO 67 2HB PRO 67 -5.603 -7.200 -9.794 533 2HB PRO 67 3HB PRO 67 -6.595 -6.137 -10.835 534 1HG PRO 67 2HG PRO 67 -3.635 -6.697 -11.054 535 2HG PRO 67 3HG PRO 67 -4.849 -6.760 -12.364 536 1HD PRO 67 2HD PRO 67 -3.255 -4.594 -11.933 537 2HD PRO 67 3HD PRO 67 -4.946 -4.386 -12.486 538 H ALA 68 H ALA 68 -5.779 -5.360 -6.992 539 HA ALA 68 HA ALA 68 -2.976 -6.113 -6.359 540 1HB ALA 68 1HB ALA 68 -4.500 -4.026 -4.786 541 2HB ALA 68 2HB ALA 68 -2.845 -4.660 -4.541 542 3HB ALA 68 3HB ALA 68 -3.228 -3.664 -5.976 543 H PHE 69 H PHE 69 -2.759 -7.647 -4.996 544 HA PHE 69 HA PHE 69 -5.117 -8.915 -3.670 545 1HB PHE 69 2HB PHE 69 -2.334 -9.754 -4.237 546 2HB PHE 69 3HB PHE 69 -3.354 -10.648 -3.120 547 HD1 PHE 69 1HD PHE 69 -5.003 -12.190 -3.888 548 HD2 PHE 69 2HD PHE 69 -3.169 -9.476 -6.705 549 HE1 PHE 69 1HE PHE 69 -5.949 -13.492 -5.766 550 HE2 PHE 69 2HE PHE 69 -4.061 -10.828 -8.578 551 HZ PHE 69 HZ PHE 69 -5.469 -12.826 -8.112 552 H VAL 70 H VAL 70 -5.222 -6.938 -2.411 553 HA VAL 70 HA VAL 70 -3.790 -6.361 -0.051 554 HB VAL 70 HB VAL 70 -5.601 -5.053 -0.376 555 1HG1 VAL 70 1HG1 VAL 70 -7.960 -5.988 -0.604 556 2HG1 VAL 70 2HG1 VAL 70 -6.873 -6.153 -1.989 557 3HG1 VAL 70 3HG1 VAL 70 -7.179 -7.553 -0.932 558 1HG2 VAL 70 1HG2 VAL 70 -6.732 -7.003 1.670 559 2HG2 VAL 70 2HG2 VAL 70 -5.489 -5.788 2.015 560 3HG2 VAL 70 3HG2 VAL 70 -7.092 -5.284 1.476 561 H LYS 71 H LYS 71 -2.724 -7.971 1.120 562 HA LYS 71 HA LYS 71 -4.167 -10.402 1.915 563 1HB LYS 71 2HB LYS 71 -1.263 -9.544 1.885 564 2HB LYS 71 3HB LYS 71 -1.787 -10.946 2.797 565 1HG LYS 71 2HG LYS 71 -2.389 -10.661 -0.163 566 2HG LYS 71 3HG LYS 71 -0.868 -11.316 0.447 567 1HD LYS 71 2HD LYS 71 -2.154 -13.056 1.752 568 2HD LYS 71 3HD LYS 71 -3.648 -12.404 1.080 569 1HE LYS 71 2HE LYS 71 -3.317 -14.166 -0.349 570 2HE LYS 71 3HE LYS 71 -2.559 -12.858 -1.264 571 1HZ LYS 71 1HZ LYS 71 -1.184 -14.869 0.412 572 2HZ LYS 71 2HZ LYS 71 -1.199 -14.819 -1.225 573 3HZ LYS 71 3HZ LYS 71 -0.418 -13.644 -0.379 574 H LYS 72 H LYS 72 -3.128 -10.732 4.174 575 HA LYS 72 HA LYS 72 -4.204 -8.631 6.016 576 1HB LYS 72 2HB LYS 72 -3.805 -11.604 6.229 577 2HB LYS 72 3HB LYS 72 -3.365 -10.667 7.649 578 1HG LYS 72 2HG LYS 72 -5.625 -11.340 7.906 579 2HG LYS 72 3HG LYS 72 -5.546 -9.588 7.708 580 1HD LYS 72 2HD LYS 72 -5.891 -10.710 5.076 581 2HD LYS 72 3HD LYS 72 -6.977 -11.611 6.114 582 1HE LYS 72 2HE LYS 72 -6.853 -8.558 5.843 583 2HE LYS 72 3HE LYS 72 -8.031 -9.610 5.051 584 1HZ LYS 72 1HZ LYS 72 -7.761 -9.285 7.969 585 2HZ LYS 72 2HZ LYS 72 -8.931 -8.624 7.026 586 3HZ LYS 72 3HZ LYS 72 -8.851 -10.254 7.210 587 H ILE 73 H ILE 73 -2.838 -8.240 7.970 588 HA ILE 73 HA ILE 73 -0.217 -7.425 7.118 589 HB ILE 73 HB ILE 73 -0.129 -6.310 9.219 590 1HG1 ILE 73 2HG1 ILE 73 -2.685 -7.771 9.958 591 2HG1 ILE 73 3HG1 ILE 73 -1.077 -8.090 10.623 592 1HG2 ILE 73 1HG2 ILE 73 -1.596 -5.412 7.328 593 2HG2 ILE 73 2HG2 ILE 73 -2.997 -6.004 8.231 594 3HG2 ILE 73 3HG2 ILE 73 -1.943 -4.762 8.923 595 1HD1 ILE 73 1HD1 ILE 73 -2.625 -5.505 10.996 596 2HD1 ILE 73 2HD1 ILE 73 -2.338 -6.767 12.202 597 3HD1 ILE 73 3HD1 ILE 73 -0.969 -5.833 11.578 598 H GLU 74 H GLU 74 1.766 -8.057 8.064 599 HA GLU 74 HA GLU 74 1.761 -10.650 9.579 600 1HB GLU 74 2HB GLU 74 3.866 -9.427 7.758 601 2HB GLU 74 3HB GLU 74 4.102 -10.843 8.790 602 1HG GLU 74 2HG GLU 74 2.277 -12.037 7.618 603 2HG GLU 74 3HG GLU 74 2.046 -10.644 6.544 604 H GLY 75 H GLY 75 1.645 -9.937 11.659 605 1HA GLY 75 1HA GLY 75 3.615 -7.958 12.703 606 2HA GLY 75 2HA GLY 75 2.355 -8.808 13.619 607 H ARG 76 H ARG 76 5.479 -8.750 13.960 608 HA ARG 76 HA ARG 76 5.813 -11.497 14.563 609 1HB ARG 76 2HB ARG 76 6.271 -11.534 12.087 610 2HB ARG 76 3HB ARG 76 7.434 -10.218 12.294 611 1HG ARG 76 2HG ARG 76 8.461 -12.454 12.027 612 2HG ARG 76 3HG ARG 76 8.943 -11.657 13.535 613 1HD ARG 76 2HD ARG 76 7.567 -13.028 14.865 614 2HD ARG 76 3HD ARG 76 6.597 -13.576 13.466 615 HE ARG 76 HE ARG 76 9.281 -14.371 13.053 616 1HH1 ARG 76 1HH2 ARG 76 6.666 -15.025 15.294 617 2HH1 ARG 76 2HH2 ARG 76 6.995 -16.721 15.489 618 1HH2 ARG 76 1HH1 ARG 76 9.765 -16.642 13.230 619 2HH2 ARG 76 2HH1 ARG 76 8.835 -17.657 14.283 Start of MODEL 22 1 1H GLY 1 1H GLY 1 1.365 0.691 16.839 2 2H GLY 1 2H GLY 1 0.050 0.866 17.817 3 3H GLY 1 3H GLY 1 -0.040 -0.118 16.503 4 1HA GLY 1 1HA GLY 1 -1.190 1.895 16.027 5 2HA GLY 1 2HA GLY 1 0.248 2.804 16.518 6 H GLU 2 H GLU 2 1.042 -0.118 14.691 7 HA GLU 2 HA GLU 2 1.116 1.319 12.137 8 1HB GLU 2 2HB GLU 2 3.394 1.146 13.854 9 2HB GLU 2 3HB GLU 2 3.545 -0.245 12.784 10 1HG GLU 2 2HG GLU 2 3.106 1.478 10.867 11 2HG GLU 2 3HG GLU 2 3.389 2.702 12.109 12 H VAL 3 H VAL 3 0.118 -0.229 10.724 13 HA VAL 3 HA VAL 3 0.690 -3.075 11.238 14 HB VAL 3 HB VAL 3 -1.369 -3.623 10.495 15 1HG1 VAL 3 1HG1 VAL 3 -1.614 -1.625 12.752 16 2HG1 VAL 3 2HG1 VAL 3 -2.728 -2.969 12.411 17 3HG1 VAL 3 3HG1 VAL 3 -1.058 -3.304 12.892 18 1HG2 VAL 3 1HG2 VAL 3 -2.007 -0.725 10.218 19 2HG2 VAL 3 2HG2 VAL 3 -1.988 -1.971 8.959 20 3HG2 VAL 3 3HG2 VAL 3 -3.236 -2.009 10.220 21 H VAL 4 H VAL 4 1.849 -3.994 9.689 22 HA VAL 4 HA VAL 4 2.447 -2.686 7.211 23 HB VAL 4 HB VAL 4 3.966 -3.895 8.864 24 1HG1 VAL 4 1HG1 VAL 4 3.223 -6.195 7.090 25 2HG1 VAL 4 2HG1 VAL 4 4.352 -6.201 8.467 26 3HG1 VAL 4 3HG1 VAL 4 2.602 -5.993 8.756 27 1HG2 VAL 4 1HG2 VAL 4 5.406 -4.607 6.913 28 2HG2 VAL 4 2HG2 VAL 4 4.039 -4.127 5.869 29 3HG2 VAL 4 3HG2 VAL 4 4.834 -2.935 6.937 30 H LEU 5 H LEU 5 0.862 -2.682 5.575 31 HA LEU 5 HA LEU 5 -0.834 -5.052 5.341 32 1HB LEU 5 2HB LEU 5 -1.554 -2.561 5.443 33 2HB LEU 5 3HB LEU 5 -0.998 -2.467 3.783 34 HG LEU 5 HG LEU 5 -3.371 -2.821 3.854 35 1HD1 LEU 5 1HD1 LEU 5 -2.183 -5.475 2.979 36 2HD1 LEU 5 2HD1 LEU 5 -3.537 -4.566 2.268 37 3HD1 LEU 5 3HD1 LEU 5 -1.885 -3.946 2.132 38 1HD2 LEU 5 1HD2 LEU 5 -4.469 -4.686 4.871 39 2HD2 LEU 5 2HD2 LEU 5 -2.949 -5.509 5.225 40 3HD2 LEU 5 3HD2 LEU 5 -3.361 -4.024 6.100 41 H LYS 6 H LYS 6 0.024 -6.633 4.169 42 HA LYS 6 HA LYS 6 1.954 -6.101 1.994 43 1HB LYS 6 2HB LYS 6 1.321 -8.300 3.874 44 2HB LYS 6 3HB LYS 6 1.285 -8.854 2.218 45 1HG LYS 6 2HG LYS 6 3.482 -9.178 2.991 46 2HG LYS 6 3HG LYS 6 3.535 -7.832 1.833 47 1HD LYS 6 2HD LYS 6 3.723 -6.202 3.592 48 2HD LYS 6 3HD LYS 6 3.339 -7.383 4.855 49 1HE LYS 6 2HE LYS 6 5.749 -7.778 3.033 50 2HE LYS 6 3HE LYS 6 5.856 -6.679 4.416 51 1HZ LYS 6 1HZ LYS 6 5.018 -9.506 4.742 52 2HZ LYS 6 2HZ LYS 6 6.567 -8.990 4.897 53 3HZ LYS 6 3HZ LYS 6 5.370 -8.465 5.889 54 H MET 7 H MET 7 0.973 -5.511 0.062 55 HA MET 7 HA MET 7 -1.373 -7.099 -0.793 56 1HB MET 7 2HB MET 7 -1.460 -4.926 -2.358 57 2HB MET 7 3HB MET 7 -2.358 -5.081 -0.843 58 1HG MET 7 2HG MET 7 -0.701 -3.814 0.357 59 2HG MET 7 3HG MET 7 0.304 -3.748 -1.077 60 1HE MET 7 1HE MET 7 -3.560 -3.104 -0.364 61 2HE MET 7 2HE MET 7 -2.670 -2.131 0.837 62 3HE MET 7 3HE MET 7 -3.574 -1.330 -0.461 63 H LYS 8 H LYS 8 -0.930 -8.385 -2.538 64 HA LYS 8 HA LYS 8 1.686 -8.050 -3.909 65 1HB LYS 8 2HB LYS 8 -0.519 -10.091 -4.380 66 2HB LYS 8 3HB LYS 8 0.997 -9.948 -5.256 67 1HG LYS 8 2HG LYS 8 1.417 -11.553 -3.743 68 2HG LYS 8 3HG LYS 8 2.213 -10.112 -3.065 69 1HD LYS 8 2HD LYS 8 0.503 -9.913 -1.330 70 2HD LYS 8 3HD LYS 8 -0.545 -11.049 -2.189 71 1HE LYS 8 2HE LYS 8 0.450 -12.202 -0.293 72 2HE LYS 8 3HE LYS 8 1.108 -12.878 -1.788 73 1HZ LYS 8 1HZ LYS 8 2.477 -10.978 0.037 74 2HZ LYS 8 2HZ LYS 8 2.887 -12.537 -0.248 75 3HZ LYS 8 3HZ LYS 8 3.104 -11.322 -1.335 76 H VAL 9 H VAL 9 1.898 -6.912 -5.825 77 HA VAL 9 HA VAL 9 -0.612 -5.944 -7.145 78 HB VAL 9 HB VAL 9 0.788 -4.119 -8.010 79 1HG1 VAL 9 1HG1 VAL 9 0.738 -2.750 -5.941 80 2HG1 VAL 9 2HG1 VAL 9 -0.728 -3.721 -6.154 81 3HG1 VAL 9 3HG1 VAL 9 0.506 -4.228 -4.980 82 1HG2 VAL 9 1HG2 VAL 9 2.885 -3.488 -6.925 83 2HG2 VAL 9 2HG2 VAL 9 2.843 -4.940 -5.913 84 3HG2 VAL 9 3HG2 VAL 9 3.040 -5.078 -7.677 85 H GLU 10 H GLU 10 -0.640 -6.088 -9.397 86 HA GLU 10 HA GLU 10 1.430 -7.899 -10.584 87 1HB GLU 10 2HB GLU 10 -1.402 -7.472 -11.538 88 2HB GLU 10 3HB GLU 10 -0.217 -8.636 -12.144 89 1HG GLU 10 2HG GLU 10 -1.394 -8.643 -9.327 90 2HG GLU 10 3HG GLU 10 -1.896 -9.694 -10.658 91 H GLY 11 H GLY 11 2.247 -7.297 -12.658 92 1HA GLY 11 1HA GLY 11 2.346 -6.115 -14.660 93 2HA GLY 11 2HA GLY 11 1.064 -5.029 -14.116 94 H MET 12 H MET 12 2.121 -4.051 -11.754 95 HA MET 12 HA MET 12 3.710 -1.881 -12.548 96 1HB MET 12 2HB MET 12 3.365 -3.158 -9.806 97 2HB MET 12 3HB MET 12 4.090 -1.568 -10.100 98 1HG MET 12 2HG MET 12 2.007 -0.691 -10.954 99 2HG MET 12 3HG MET 12 1.267 -2.290 -10.985 100 1HE MET 12 1HE MET 12 2.123 -0.063 -7.040 101 2HE MET 12 2HE MET 12 3.429 -0.821 -7.976 102 3HE MET 12 3HE MET 12 2.549 0.586 -8.644 103 H THR 13 H THR 13 5.579 -2.454 -13.712 104 HA THR 13 HA THR 13 7.808 -3.723 -12.171 105 HB THR 13 HB THR 13 8.382 -4.858 -14.369 106 HG1 THR 13 1HG THR 13 5.631 -4.350 -14.883 107 1HG2 THR 13 1HG2 THR 13 5.817 -5.737 -12.985 108 2HG2 THR 13 2HG2 THR 13 6.910 -6.741 -13.953 109 3HG2 THR 13 3HG2 THR 13 7.464 -6.061 -12.412 110 H CYS 14 HN CYS 14 7.266 -0.817 -12.669 111 HA CYS 14 HA CYS 14 9.938 -0.215 -13.683 112 1HB CYS 14 2HB CYS 14 8.876 1.525 -15.283 113 2HB CYS 14 3HB CYS 14 8.943 -0.168 -15.763 114 H HIS 15 H HIS 15 10.675 1.806 -13.088 115 HA HIS 15 HA HIS 15 9.509 3.014 -10.701 116 1HB HIS 15 2HB HIS 15 11.997 3.474 -12.380 117 2HB HIS 15 3HB HIS 15 11.490 4.672 -11.195 118 HD1 HIS 15 1HD HIS 15 13.982 4.054 -10.215 119 HD2 HIS 15 2HD HIS 15 10.715 1.505 -9.506 120 HE1 HIS 15 1HE HIS 15 14.526 2.727 -8.104 121 H SER 16 H SER 16 7.523 3.207 -12.179 122 HA SER 16 HA SER 16 7.195 6.126 -12.399 123 1HB SER 16 2HB SER 16 6.452 4.213 -14.658 124 2HB SER 16 3HB SER 16 5.681 5.797 -14.418 125 HG SER 16 HG SER 16 7.457 5.988 -15.817 126 H CYS 17 HN CYS 17 5.450 2.993 -12.856 127 HA CYS 17 HA CYS 17 2.992 3.879 -11.835 128 1HB CYS 17 2HB CYS 17 4.132 1.045 -11.735 129 2HB CYS 17 3HB CYS 17 2.438 1.526 -11.742 130 H THR 18 H THR 18 5.429 1.832 -10.246 131 HA THR 18 HA THR 18 4.314 1.769 -7.681 132 HB THR 18 HB THR 18 6.064 0.265 -8.577 133 HG1 THR 18 1HG THR 18 6.776 -0.132 -6.610 134 1HG2 THR 18 1HG2 THR 18 8.091 2.426 -7.856 135 2HG2 THR 18 2HG2 THR 18 8.393 0.831 -8.538 136 3HG2 THR 18 3HG2 THR 18 7.600 2.057 -9.531 137 H SER 19 H SER 19 6.720 4.026 -9.012 138 HA SER 19 HA SER 19 7.109 5.506 -6.599 139 1HB SER 19 2HB SER 19 8.679 5.363 -8.556 140 2HB SER 19 3HB SER 19 7.581 6.423 -9.473 141 HG SER 19 HG SER 19 9.382 7.449 -8.288 142 H THR 20 H THR 20 4.872 6.015 -9.379 143 HA THR 20 HA THR 20 3.917 8.576 -8.536 144 HB THR 20 HB THR 20 2.558 6.366 -10.144 145 HG1 THR 20 1HG THR 20 4.377 7.209 -11.116 146 1HG2 THR 20 1HG2 THR 20 1.808 9.307 -9.806 147 2HG2 THR 20 2HG2 THR 20 1.111 8.197 -11.001 148 3HG2 THR 20 3HG2 THR 20 0.830 7.912 -9.278 149 H ILE 21 H ILE 21 2.814 5.207 -7.859 150 HA ILE 21 HA ILE 21 0.712 6.020 -6.093 151 HB ILE 21 HB ILE 21 1.963 3.506 -6.977 152 1HG1 ILE 21 2HG1 ILE 21 -0.773 3.997 -5.784 153 2HG1 ILE 21 3HG1 ILE 21 -0.318 4.555 -7.390 154 1HG2 ILE 21 1HG2 ILE 21 1.239 2.161 -5.049 155 2HG2 ILE 21 2HG2 ILE 21 2.593 3.222 -4.664 156 3HG2 ILE 21 3HG2 ILE 21 0.933 3.650 -4.136 157 1HD1 ILE 21 1HD1 ILE 21 -0.239 1.639 -6.546 158 2HD1 ILE 21 2HD1 ILE 21 -1.498 2.430 -7.506 159 3HD1 ILE 21 3HD1 ILE 21 0.162 2.302 -8.142 160 H GLU 22 H GLU 22 4.108 4.991 -5.326 161 HA GLU 22 HA GLU 22 3.909 5.420 -2.632 162 1HB GLU 22 2HB GLU 22 6.035 4.941 -4.504 163 2HB GLU 22 3HB GLU 22 6.563 6.288 -3.510 164 1HG GLU 22 2HG GLU 22 5.929 4.937 -1.471 165 2HG GLU 22 3HG GLU 22 5.396 3.642 -2.571 166 H GLY 23 H GLY 23 4.778 7.879 -5.053 167 1HA GLY 23 1HA GLY 23 5.047 10.103 -3.362 168 2HA GLY 23 2HA GLY 23 4.534 10.147 -5.058 169 H LYS 24 H LYS 24 2.043 8.758 -4.926 170 HA LYS 24 HA LYS 24 0.411 10.943 -3.937 171 1HB LYS 24 2HB LYS 24 0.019 9.011 -5.884 172 2HB LYS 24 3HB LYS 24 -0.875 8.318 -4.556 173 1HG LYS 24 2HG LYS 24 -2.545 9.551 -5.390 174 2HG LYS 24 3HG LYS 24 -1.875 10.832 -4.399 175 1HD LYS 24 2HD LYS 24 -1.407 10.344 -7.400 176 2HD LYS 24 3HD LYS 24 -2.439 11.565 -6.675 177 1HE LYS 24 2HE LYS 24 -0.518 12.730 -7.360 178 2HE LYS 24 3HE LYS 24 -0.392 12.611 -5.602 179 1HZ LYS 24 1HZ LYS 24 1.023 10.912 -7.578 180 2HZ LYS 24 2HZ LYS 24 1.689 12.132 -6.700 181 3HZ LYS 24 3HZ LYS 24 1.162 10.769 -5.956 182 H ILE 25 H ILE 25 0.671 7.547 -3.001 183 HA ILE 25 HA ILE 25 -1.126 7.781 -0.869 184 HB ILE 25 HB ILE 25 0.850 5.578 -1.344 185 1HG1 ILE 25 2HG1 ILE 25 -0.602 5.950 -3.283 186 2HG1 ILE 25 3HG1 ILE 25 -0.776 4.380 -2.498 187 1HG2 ILE 25 1HG2 ILE 25 0.081 5.372 0.919 188 2HG2 ILE 25 2HG2 ILE 25 -1.574 5.809 0.469 189 3HG2 ILE 25 3HG2 ILE 25 -0.902 4.255 -0.044 190 1HD1 ILE 25 1HD1 ILE 25 -2.613 6.757 -2.142 191 2HD1 ILE 25 2HD1 ILE 25 -2.912 5.311 -3.140 192 3HD1 ILE 25 3HD1 ILE 25 -2.794 5.158 -1.371 193 H GLY 26 H GLY 26 2.405 8.074 -1.008 194 1HA GLY 26 1HA GLY 26 3.158 8.154 1.648 195 2HA GLY 26 2HA GLY 26 3.817 9.183 0.366 196 H LYS 27 H LYS 27 1.137 10.578 -0.099 197 HA LYS 27 HA LYS 27 1.516 12.545 2.042 198 1HB LYS 27 2HB LYS 27 1.788 13.209 -0.230 199 2HB LYS 27 3HB LYS 27 0.208 12.574 -0.702 200 1HG LYS 27 2HG LYS 27 -0.960 14.238 0.347 201 2HG LYS 27 3HG LYS 27 0.368 14.647 1.458 202 1HD LYS 27 2HD LYS 27 1.656 15.675 -0.305 203 2HD LYS 27 3HD LYS 27 0.501 15.144 -1.549 204 1HE LYS 27 2HE LYS 27 -1.244 16.588 -0.672 205 2HE LYS 27 3HE LYS 27 -0.295 16.973 0.773 206 1HZ LYS 27 1HZ LYS 27 0.440 17.765 -1.969 207 2HZ LYS 27 2HZ LYS 27 -0.256 18.738 -0.841 208 3HZ LYS 27 3HZ LYS 27 1.256 18.150 -0.590 209 H LEU 28 H LEU 28 -0.397 9.787 2.017 210 HA LEU 28 HA LEU 28 -2.948 11.006 2.701 211 1HB LEU 28 2HB LEU 28 -1.895 8.254 3.146 212 2HB LEU 28 3HB LEU 28 -3.531 8.828 3.406 213 HG LEU 28 HG LEU 28 -2.119 8.449 0.795 214 1HD1 LEU 28 1HD1 LEU 28 -3.487 6.694 1.742 215 2HD1 LEU 28 2HD1 LEU 28 -4.869 7.825 1.855 216 3HD1 LEU 28 3HD1 LEU 28 -4.248 7.306 0.260 217 1HD2 LEU 28 1HD2 LEU 28 -2.950 10.702 0.444 218 2HD2 LEU 28 2HD2 LEU 28 -3.968 9.559 -0.422 219 3HD2 LEU 28 3HD2 LEU 28 -4.544 10.248 1.109 220 H GLN 29 H GLN 29 -3.925 11.039 4.665 221 HA GLN 29 HA GLN 29 -2.148 11.632 6.893 222 1HB GLN 29 2HB GLN 29 -4.060 12.815 7.811 223 2HB GLN 29 3HB GLN 29 -3.728 13.267 6.139 224 1HG GLN 29 2HG GLN 29 -5.569 11.195 5.813 225 2HG GLN 29 3HG GLN 29 -6.076 11.872 7.351 226 1HE2 GLN 29 2HE2 GLN 29 -8.111 12.395 6.218 227 2HE2 GLN 29 1HE2 GLN 29 -8.167 13.817 5.188 228 H GLY 30 H GLY 30 -1.541 9.533 7.551 229 1HA GLY 30 1HA GLY 30 -2.563 8.202 9.620 230 2HA GLY 30 2HA GLY 30 -3.712 7.664 8.413 231 H VAL 31 H VAL 31 -1.096 7.901 6.517 232 HA VAL 31 HA VAL 31 -0.271 5.158 7.025 233 HB VAL 31 HB VAL 31 0.558 7.268 4.964 234 1HG1 VAL 31 1HG1 VAL 31 1.401 4.343 5.112 235 2HG1 VAL 31 2HG1 VAL 31 1.705 5.439 3.752 236 3HG1 VAL 31 3HG1 VAL 31 2.471 5.752 5.311 237 1HG2 VAL 31 1HG2 VAL 31 -0.664 5.815 3.375 238 2HG2 VAL 31 2HG2 VAL 31 -1.073 4.702 4.696 239 3HG2 VAL 31 3HG2 VAL 31 -1.744 6.344 4.672 240 H GLN 32 H GLN 32 1.755 4.554 7.758 241 HA GLN 32 HA GLN 32 3.257 6.608 9.322 242 1HB GLN 32 2HB GLN 32 2.895 3.620 9.608 243 2HB GLN 32 3HB GLN 32 4.068 4.555 10.534 244 1HG GLN 32 2HG GLN 32 1.290 5.568 10.624 245 2HG GLN 32 3HG GLN 32 1.586 4.036 11.446 246 1HE2 GLN 32 2HE2 GLN 32 2.921 7.402 11.210 247 2HE2 GLN 32 1HE2 GLN 32 3.440 7.437 12.886 248 H ARG 33 H ARG 33 3.573 3.842 7.017 249 HA ARG 33 HA ARG 33 5.894 5.047 5.779 250 1HB ARG 33 2HB ARG 33 6.966 3.980 7.731 251 2HB ARG 33 3HB ARG 33 6.226 2.429 7.330 252 1HG ARG 33 2HG ARG 33 7.510 2.214 5.334 253 2HG ARG 33 3HG ARG 33 8.001 3.923 5.377 254 1HD ARG 33 2HD ARG 33 8.722 2.141 7.705 255 2HD ARG 33 3HD ARG 33 9.601 1.876 6.209 256 HE ARG 33 HE ARG 33 9.957 4.021 8.075 257 1HH1 ARG 33 1HH2 ARG 33 9.912 3.435 4.614 258 2HH1 ARG 33 2HH2 ARG 33 11.125 4.613 4.207 259 1HH2 ARG 33 1HH1 ARG 33 11.640 5.568 7.603 260 2HH2 ARG 33 2HH1 ARG 33 12.146 5.836 5.969 261 H ILE 34 H ILE 34 6.542 3.637 3.875 262 HA ILE 34 HA ILE 34 4.502 1.866 2.885 263 HB ILE 34 HB ILE 34 3.465 3.957 2.420 264 1HG1 ILE 34 2HG1 ILE 34 4.964 3.147 -0.079 265 2HG1 ILE 34 3HG1 ILE 34 3.654 2.207 0.607 266 1HG2 ILE 34 1HG2 ILE 34 6.014 5.017 1.137 267 2HG2 ILE 34 2HG2 ILE 34 4.455 5.857 1.277 268 3HG2 ILE 34 3HG2 ILE 34 5.389 5.521 2.722 269 1HD1 ILE 34 1HD1 ILE 34 3.428 5.057 -0.472 270 2HD1 ILE 34 2HD1 ILE 34 2.734 3.591 -1.174 271 3HD1 ILE 34 3HD1 ILE 34 2.132 4.205 0.379 272 H LYS 35 H LYS 35 5.509 0.493 1.534 273 HA LYS 35 HA LYS 35 7.897 1.249 0.228 274 1HB LYS 35 2HB LYS 35 7.911 -0.957 2.250 275 2HB LYS 35 3HB LYS 35 8.780 -1.181 0.731 276 1HG LYS 35 2HG LYS 35 9.253 1.119 2.636 277 2HG LYS 35 3HG LYS 35 10.179 -0.388 2.578 278 1HD LYS 35 2HD LYS 35 10.598 0.155 0.054 279 2HD LYS 35 3HD LYS 35 9.926 1.733 0.411 280 1HE LYS 35 2HE LYS 35 12.226 2.091 0.590 281 2HE LYS 35 3HE LYS 35 11.695 1.953 2.272 282 1HZ LYS 35 1HZ LYS 35 12.958 -0.163 0.641 283 2HZ LYS 35 2HZ LYS 35 13.673 0.668 1.863 284 3HZ LYS 35 3HZ LYS 35 12.441 -0.374 2.188 285 H VAL 36 H VAL 36 6.818 1.325 -1.726 286 HA VAL 36 HA VAL 36 5.289 -1.095 -2.535 287 HB VAL 36 HB VAL 36 5.536 1.560 -3.942 288 1HG1 VAL 36 1HG1 VAL 36 4.890 -0.554 -5.329 289 2HG1 VAL 36 2HG1 VAL 36 3.446 -0.623 -4.323 290 3HG1 VAL 36 3HG1 VAL 36 3.745 0.800 -5.330 291 1HG2 VAL 36 1HG2 VAL 36 3.183 1.846 -3.061 292 2HG2 VAL 36 2HG2 VAL 36 3.369 0.355 -2.129 293 3HG2 VAL 36 3HG2 VAL 36 4.366 1.765 -1.760 294 H SER 37 H SER 37 6.439 -2.764 -3.578 295 HA SER 37 HA SER 37 9.125 -2.098 -4.597 296 1HB SER 37 2HB SER 37 7.826 -4.764 -4.500 297 2HB SER 37 3HB SER 37 9.549 -4.378 -4.537 298 HG SER 37 HG SER 37 8.623 -4.963 -2.412 299 H LEU 38 H LEU 38 9.338 -3.892 -6.668 300 HA LEU 38 HA LEU 38 7.049 -3.791 -8.432 301 1HB LEU 38 2HB LEU 38 8.316 -2.883 -10.242 302 2HB LEU 38 3HB LEU 38 7.941 -1.712 -8.990 303 HG LEU 38 HG LEU 38 10.678 -2.962 -9.392 304 1HD1 LEU 38 1HD1 LEU 38 9.500 -0.329 -10.303 305 2HD1 LEU 38 2HD1 LEU 38 11.229 -0.764 -10.390 306 3HD1 LEU 38 3HD1 LEU 38 10.036 -1.679 -11.320 307 1HD2 LEU 38 1HD2 LEU 38 11.284 -0.821 -8.022 308 2HD2 LEU 38 2HD2 LEU 38 9.571 -0.820 -7.541 309 3HD2 LEU 38 3HD2 LEU 38 10.619 -2.189 -7.140 310 H ASP 39 H ASP 39 10.568 -4.577 -8.082 311 HA ASP 39 HA ASP 39 10.849 -6.475 -9.978 312 1HB ASP 39 2HB ASP 39 12.008 -6.879 -7.169 313 2HB ASP 39 3HB ASP 39 12.733 -7.261 -8.715 314 H ASN 40 H ASN 40 10.045 -7.105 -6.595 315 HA ASN 40 HA ASN 40 9.369 -9.849 -7.184 316 1HB ASN 40 2HB ASN 40 10.637 -8.943 -5.182 317 2HB ASN 40 3HB ASN 40 9.029 -8.640 -4.505 318 1HD2 ASN 40 2HD2 ASN 40 7.538 -10.858 -5.025 319 2HD2 ASN 40 1HD2 ASN 40 8.356 -12.318 -4.474 320 H GLN 41 H GLN 41 7.677 -7.269 -7.975 321 HA GLN 41 HA GLN 41 5.675 -6.347 -7.738 322 1HB GLN 41 2HB GLN 41 5.706 -8.972 -8.992 323 2HB GLN 41 3HB GLN 41 4.080 -8.616 -8.476 324 1HG GLN 41 2HG GLN 41 3.965 -6.650 -9.809 325 2HG GLN 41 3HG GLN 41 5.710 -6.539 -9.995 326 1HE2 GLN 41 2HE2 GLN 41 6.775 -8.552 -11.051 327 2HE2 GLN 41 1HE2 GLN 41 5.943 -9.128 -12.490 328 H GLU 42 H GLU 42 5.997 -6.025 -5.366 329 HA GLU 42 HA GLU 42 3.587 -6.942 -4.033 330 1HB GLU 42 2HB GLU 42 5.442 -8.553 -3.320 331 2HB GLU 42 3HB GLU 42 6.234 -7.171 -2.536 332 1HG GLU 42 2HG GLU 42 4.309 -6.830 -1.061 333 2HG GLU 42 3HG GLU 42 3.334 -7.974 -1.995 334 H ALA 43 H ALA 43 2.938 -5.512 -2.390 335 HA ALA 43 HA ALA 43 4.353 -2.922 -2.321 336 1HB ALA 43 1HB ALA 43 2.576 -2.653 -3.900 337 2HB ALA 43 2HB ALA 43 1.412 -3.440 -2.854 338 3HB ALA 43 3HB ALA 43 2.066 -1.849 -2.395 339 H THR 44 H THR 44 4.797 -2.272 -0.357 340 HA THR 44 HA THR 44 3.463 -3.453 2.047 341 HB THR 44 HB THR 44 5.998 -1.737 1.762 342 HG1 THR 44 1HG THR 44 6.110 -3.823 0.675 343 1HG2 THR 44 1HG2 THR 44 5.037 -3.619 3.944 344 2HG2 THR 44 2HG2 THR 44 6.522 -2.640 3.971 345 3HG2 THR 44 3HG2 THR 44 4.936 -1.840 3.991 346 H ILE 45 H ILE 45 1.783 -2.197 2.735 347 HA ILE 45 HA ILE 45 2.156 0.796 2.671 348 HB ILE 45 HB ILE 45 -0.342 -0.906 2.387 349 1HG1 ILE 45 2HG1 ILE 45 1.047 -0.538 0.291 350 2HG1 ILE 45 3HG1 ILE 45 -0.642 -0.025 0.249 351 1HG2 ILE 45 1HG2 ILE 45 -0.959 0.928 3.802 352 2HG2 ILE 45 2HG2 ILE 45 -0.057 2.093 2.811 353 3HG2 ILE 45 3HG2 ILE 45 -1.497 1.283 2.152 354 1HD1 ILE 45 1HD1 ILE 45 1.524 1.966 0.876 355 2HD1 ILE 45 2HD1 ILE 45 1.034 1.580 -0.789 356 3HD1 ILE 45 3HD1 ILE 45 -0.141 2.244 0.358 357 H VAL 46 H VAL 46 2.851 1.334 4.713 358 HA VAL 46 HA VAL 46 1.936 -0.403 6.947 359 HB VAL 46 HB VAL 46 4.126 1.607 7.282 360 1HG1 VAL 46 1HG1 VAL 46 4.803 0.123 9.004 361 2HG1 VAL 46 2HG1 VAL 46 3.031 0.196 9.122 362 3HG1 VAL 46 3HG1 VAL 46 3.809 -1.203 8.380 363 1HG2 VAL 46 1HG2 VAL 46 5.752 -0.229 6.669 364 2HG2 VAL 46 2HG2 VAL 46 4.375 -1.076 5.927 365 3HG2 VAL 46 3HG2 VAL 46 4.916 0.483 5.279 366 H TYR 47 H TYR 47 0.043 0.433 7.812 367 HA TYR 47 HA TYR 47 -0.068 3.409 8.142 368 1HB TYR 47 2HB TYR 47 -2.258 3.533 7.307 369 2HB TYR 47 3HB TYR 47 -1.372 2.597 6.119 370 HD1 TYR 47 1HD TYR 47 -4.071 2.562 8.626 371 HD2 TYR 47 2HD TYR 47 -1.790 0.138 5.881 372 HE1 TYR 47 1HE TYR 47 -5.645 0.694 8.962 373 HE2 TYR 47 2HE TYR 47 -3.433 -1.705 6.191 374 HH TYR 47 HH TYR 47 -5.934 -1.581 8.724 375 H GLN 48 H GLN 48 -1.934 4.121 9.483 376 HA GLN 48 HA GLN 48 -1.666 2.651 12.017 377 1HB GLN 48 2HB GLN 48 -0.883 4.945 11.784 378 2HB GLN 48 3HB GLN 48 -2.502 5.496 11.425 379 1HG GLN 48 2HG GLN 48 -3.322 4.922 13.627 380 2HG GLN 48 3HG GLN 48 -2.005 3.801 13.923 381 1HE2 GLN 48 2HE2 GLN 48 -2.244 5.152 16.037 382 2HE2 GLN 48 1HE2 GLN 48 -1.112 6.492 16.127 383 HA PRO 49 HA PRO 49 -5.943 1.489 11.004 384 1HB PRO 49 2HB PRO 49 -6.350 -0.466 12.837 385 2HB PRO 49 3HB PRO 49 -5.190 -0.669 11.493 386 1HG PRO 49 2HG PRO 49 -4.569 0.220 14.326 387 2HG PRO 49 3HG PRO 49 -3.797 -1.100 13.409 388 1HD PRO 49 2HD PRO 49 -2.717 1.386 13.528 389 2HD PRO 49 3HD PRO 49 -2.637 0.446 12.014 390 H HIS 50 H HIS 50 -6.368 3.685 11.619 391 HA HIS 50 HA HIS 50 -8.573 3.948 13.339 392 1HB HIS 50 2HB HIS 50 -6.020 4.263 14.747 393 2HB HIS 50 3HB HIS 50 -6.809 5.824 14.634 394 HD1 HIS 50 1HD HIS 50 -7.496 6.047 17.121 395 HD2 HIS 50 2HD HIS 50 -8.814 2.510 15.254 396 HE1 HIS 50 1HE HIS 50 -9.085 4.895 18.752 397 H LEU 51 H LEU 51 -5.757 5.545 11.808 398 HA LEU 51 HA LEU 51 -7.287 8.011 11.354 399 1HB LEU 51 2HB LEU 51 -4.546 7.171 10.557 400 2HB LEU 51 3HB LEU 51 -5.277 8.708 10.130 401 HG LEU 51 HG LEU 51 -5.745 8.975 12.714 402 1HD1 LEU 51 1HD1 LEU 51 -4.833 6.745 13.409 403 2HD1 LEU 51 2HD1 LEU 51 -3.266 7.225 12.715 404 3HD1 LEU 51 3HD1 LEU 51 -3.925 8.085 14.115 405 1HD2 LEU 51 1HD2 LEU 51 -2.963 9.386 11.551 406 2HD2 LEU 51 2HD2 LEU 51 -4.346 10.483 11.348 407 3HD2 LEU 51 3HD2 LEU 51 -3.656 10.212 12.957 408 H ILE 52 H ILE 52 -6.032 5.278 9.361 409 HA ILE 52 HA ILE 52 -7.874 6.025 7.207 410 HB ILE 52 HB ILE 52 -5.221 6.741 7.241 411 1HG1 ILE 52 2HG1 ILE 52 -5.474 6.473 4.628 412 2HG1 ILE 52 3HG1 ILE 52 -7.162 6.202 5.124 413 1HG2 ILE 52 1HG2 ILE 52 -4.400 4.469 7.377 414 2HG2 ILE 52 2HG2 ILE 52 -5.142 4.077 5.789 415 3HG2 ILE 52 3HG2 ILE 52 -3.854 5.302 5.928 416 1HD1 ILE 52 1HD1 ILE 52 -5.341 8.582 5.721 417 2HD1 ILE 52 2HD1 ILE 52 -6.757 8.596 4.658 418 3HD1 ILE 52 3HD1 ILE 52 -6.971 8.406 6.415 419 H SER 53 H SER 53 -8.392 4.190 5.827 420 HA SER 53 HA SER 53 -8.235 1.616 7.321 421 1HB SER 53 2HB SER 53 -10.311 1.094 6.191 422 2HB SER 53 3HB SER 53 -10.447 2.722 6.877 423 HG SER 53 HG SER 53 -10.112 3.596 4.892 424 H VAL 54 H VAL 54 -8.211 -0.383 6.110 425 HA VAL 54 HA VAL 54 -6.372 -0.804 4.025 426 HB VAL 54 HB VAL 54 -8.898 -2.271 4.833 427 1HG1 VAL 54 1HG1 VAL 54 -6.806 -3.113 2.793 428 2HG1 VAL 54 2HG1 VAL 54 -8.025 -4.195 3.515 429 3HG1 VAL 54 3HG1 VAL 54 -8.543 -2.864 2.488 430 1HG2 VAL 54 1HG2 VAL 54 -7.136 -2.384 6.492 431 2HG2 VAL 54 2HG2 VAL 54 -7.223 -3.952 5.678 432 3HG2 VAL 54 3HG2 VAL 54 -5.928 -2.820 5.249 433 H GLU 55 H GLU 55 -9.885 -0.010 3.886 434 HA GLU 55 HA GLU 55 -10.048 -0.404 1.072 435 1HB GLU 55 2HB GLU 55 -11.972 -0.411 2.683 436 2HB GLU 55 3HB GLU 55 -11.827 1.359 2.696 437 1HG GLU 55 2HG GLU 55 -13.291 1.239 0.923 438 2HG GLU 55 3HG GLU 55 -11.884 0.676 0.012 439 H GLU 56 H GLU 56 -9.432 2.625 3.031 440 HA GLU 56 HA GLU 56 -9.223 4.365 0.824 441 1HB GLU 56 2HB GLU 56 -8.172 4.249 3.627 442 2HB GLU 56 3HB GLU 56 -7.338 5.310 2.545 443 1HG GLU 56 2HG GLU 56 -8.901 6.859 2.794 444 2HG GLU 56 3HG GLU 56 -10.133 5.753 2.170 445 H MET 57 H MET 57 -6.535 2.370 2.379 446 HA MET 57 HA MET 57 -4.574 2.920 0.584 447 1HB MET 57 2HB MET 57 -5.104 0.236 1.694 448 2HB MET 57 3HB MET 57 -3.631 0.903 1.032 449 1HG MET 57 2HG MET 57 -5.005 1.806 3.531 450 2HG MET 57 3HG MET 57 -3.523 0.888 3.407 451 1HE MET 57 1HE MET 57 -4.730 4.629 1.938 452 2HE MET 57 2HE MET 57 -5.326 4.169 3.552 453 3HE MET 57 3HE MET 57 -4.036 5.378 3.387 454 H LYS 58 H LYS 58 -6.863 0.134 0.212 455 HA LYS 58 HA LYS 58 -5.936 -0.477 -2.422 456 1HB LYS 58 2HB LYS 58 -6.708 -2.233 -1.644 457 2HB LYS 58 3HB LYS 58 -8.098 -1.540 -0.678 458 1HG LYS 58 2HG LYS 58 -9.361 -1.375 -2.747 459 2HG LYS 58 3HG LYS 58 -7.910 -1.689 -3.694 460 1HD LYS 58 2HD LYS 58 -7.923 -4.035 -2.448 461 2HD LYS 58 3HD LYS 58 -9.666 -3.679 -2.277 462 1HE LYS 58 2HE LYS 58 -9.761 -3.168 -4.734 463 2HE LYS 58 3HE LYS 58 -8.005 -3.452 -4.840 464 1HZ LYS 58 1HZ LYS 58 -10.016 -5.513 -4.455 465 2HZ LYS 58 2HZ LYS 58 -9.018 -5.172 -5.740 466 3HZ LYS 58 3HZ LYS 58 -8.361 -5.743 -4.356 467 H LYS 59 H LYS 59 -9.014 1.098 -1.526 468 HA LYS 59 HA LYS 59 -10.005 1.512 -4.067 469 1HB LYS 59 2HB LYS 59 -10.953 2.007 -1.756 470 2HB LYS 59 3HB LYS 59 -10.214 3.593 -1.872 471 1HG LYS 59 2HG LYS 59 -12.092 2.504 -4.025 472 2HG LYS 59 3HG LYS 59 -12.715 3.133 -2.498 473 1HD LYS 59 2HD LYS 59 -11.573 5.293 -2.880 474 2HD LYS 59 3HD LYS 59 -11.018 4.718 -4.473 475 1HE LYS 59 2HE LYS 59 -13.349 4.423 -5.218 476 2HE LYS 59 3HE LYS 59 -13.959 4.824 -3.604 477 1HZ LYS 59 1HZ LYS 59 -12.513 6.685 -5.366 478 2HZ LYS 59 2HZ LYS 59 -14.136 6.666 -5.096 479 3HZ LYS 59 3HZ LYS 59 -13.110 7.033 -3.868 480 H GLN 60 H GLN 60 -7.687 3.584 -2.216 481 HA GLN 60 HA GLN 60 -7.324 5.515 -4.343 482 1HB GLN 60 2HB GLN 60 -5.488 4.534 -2.181 483 2HB GLN 60 3HB GLN 60 -5.101 5.891 -3.241 484 1HG GLN 60 2HG GLN 60 -7.669 5.926 -1.615 485 2HG GLN 60 3HG GLN 60 -6.125 6.440 -0.942 486 1HE2 GLN 60 2HE2 GLN 60 -8.845 7.551 -2.603 487 2HE2 GLN 60 1HE2 GLN 60 -8.142 9.043 -3.213 488 H ILE 61 H ILE 61 -5.537 2.474 -3.562 489 HA ILE 61 HA ILE 61 -3.678 2.797 -5.735 490 HB ILE 61 HB ILE 61 -4.328 0.486 -3.901 491 1HG1 ILE 61 2HG1 ILE 61 -2.061 2.521 -4.207 492 2HG1 ILE 61 3HG1 ILE 61 -3.280 2.566 -2.975 493 1HG2 ILE 61 1HG2 ILE 61 -2.277 0.683 -6.141 494 2HG2 ILE 61 2HG2 ILE 61 -2.226 -0.551 -4.859 495 3HG2 ILE 61 3HG2 ILE 61 -3.565 -0.519 -5.990 496 1HD1 ILE 61 1HD1 ILE 61 -1.126 0.461 -3.242 497 2HD1 ILE 61 2HD1 ILE 61 -1.330 1.681 -1.975 498 3HD1 ILE 61 3HD1 ILE 61 -2.513 0.363 -2.118 499 H GLU 62 H GLU 62 -6.321 0.214 -5.469 500 HA GLU 62 HA GLU 62 -6.079 -0.461 -8.150 501 1HB GLU 62 2HB GLU 62 -7.740 -1.146 -5.920 502 2HB GLU 62 3HB GLU 62 -8.837 -0.618 -7.177 503 1HG GLU 62 2HG GLU 62 -7.602 -2.162 -8.757 504 2HG GLU 62 3HG GLU 62 -6.623 -2.708 -7.386 505 H ALA 63 H ALA 63 -7.731 2.458 -6.821 506 HA ALA 63 HA ALA 63 -9.235 3.063 -9.144 507 1HB ALA 63 1HB ALA 63 -7.789 4.902 -7.219 508 2HB ALA 63 2HB ALA 63 -8.897 5.458 -8.488 509 3HB ALA 63 3HB ALA 63 -9.513 4.424 -7.194 510 H MET 64 H MET 64 -5.689 3.319 -8.641 511 HA MET 64 HA MET 64 -5.109 4.928 -10.925 512 1HB MET 64 2HB MET 64 -3.514 2.679 -9.646 513 2HB MET 64 3HB MET 64 -2.927 3.877 -10.799 514 1HG MET 64 2HG MET 64 -3.801 4.368 -7.938 515 2HG MET 64 3HG MET 64 -2.197 4.473 -8.654 516 1HE MET 64 1HE MET 64 -2.666 8.163 -7.684 517 2HE MET 64 2HE MET 64 -3.071 6.688 -6.775 518 3HE MET 64 3HE MET 64 -1.541 6.789 -7.684 519 H GLY 65 H GLY 65 -5.705 1.436 -10.456 520 1HA GLY 65 1HA GLY 65 -6.941 0.496 -12.459 521 2HA GLY 65 2HA GLY 65 -5.500 0.922 -13.401 522 H PHE 66 H PHE 66 -3.889 0.300 -10.820 523 HA PHE 66 HA PHE 66 -3.032 -2.246 -11.745 524 1HB PHE 66 2HB PHE 66 -2.413 -0.752 -9.199 525 2HB PHE 66 3HB PHE 66 -1.419 -2.043 -9.898 526 HD1 PHE 66 1HD PHE 66 -1.629 1.386 -9.472 527 HD2 PHE 66 2HD PHE 66 -0.826 -1.487 -12.575 528 HE1 PHE 66 1HE PHE 66 -0.529 3.157 -10.818 529 HE2 PHE 66 2HE PHE 66 0.252 0.295 -13.931 530 HZ PHE 66 HZ PHE 66 0.322 2.625 -13.091 531 HA PRO 67 HA PRO 67 -5.975 -4.421 -8.973 532 1HB PRO 67 2HB PRO 67 -5.400 -7.001 -9.632 533 2HB PRO 67 3HB PRO 67 -6.336 -5.924 -10.711 534 1HG PRO 67 2HG PRO 67 -3.379 -6.540 -10.826 535 2HG PRO 67 3HG PRO 67 -4.549 -6.597 -12.175 536 1HD PRO 67 2HD PRO 67 -2.936 -4.452 -11.715 537 2HD PRO 67 3HD PRO 67 -4.608 -4.222 -12.319 538 H ALA 68 H ALA 68 -5.627 -5.201 -6.864 539 HA ALA 68 HA ALA 68 -2.877 -6.048 -6.153 540 1HB ALA 68 1HB ALA 68 -4.381 -3.912 -4.614 541 2HB ALA 68 2HB ALA 68 -2.790 -4.631 -4.252 542 3HB ALA 68 3HB ALA 68 -3.006 -3.618 -5.703 543 H PHE 69 H PHE 69 -2.749 -7.611 -4.669 544 HA PHE 69 HA PHE 69 -5.257 -8.689 -3.438 545 1HB PHE 69 2HB PHE 69 -2.621 -9.852 -4.133 546 2HB PHE 69 3HB PHE 69 -3.693 -10.642 -2.992 547 HD1 PHE 69 1HD PHE 69 -5.925 -11.489 -3.703 548 HD2 PHE 69 2HD PHE 69 -3.055 -9.958 -6.547 549 HE1 PHE 69 1HE PHE 69 -7.023 -12.781 -5.513 550 HE2 PHE 69 2HE PHE 69 -4.183 -11.214 -8.351 551 HZ PHE 69 HZ PHE 69 -6.155 -12.647 -7.839 552 H VAL 70 H VAL 70 -5.053 -6.720 -2.156 553 HA VAL 70 HA VAL 70 -3.642 -6.387 0.243 554 HB VAL 70 HB VAL 70 -5.346 -4.975 0.043 555 1HG1 VAL 70 1HG1 VAL 70 -7.738 -5.659 -0.296 556 2HG1 VAL 70 2HG1 VAL 70 -6.665 -5.905 -1.678 557 3HG1 VAL 70 3HG1 VAL 70 -7.138 -7.295 -0.670 558 1HG2 VAL 70 1HG2 VAL 70 -5.242 -6.027 2.350 559 2HG2 VAL 70 2HG2 VAL 70 -6.789 -5.290 1.909 560 3HG2 VAL 70 3HG2 VAL 70 -6.619 -7.043 1.883 561 H LYS 71 H LYS 71 -2.677 -8.041 1.305 562 HA LYS 71 HA LYS 71 -4.210 -10.426 2.063 563 1HB LYS 71 2HB LYS 71 -1.593 -10.133 1.046 564 2HB LYS 71 3HB LYS 71 -1.349 -10.125 2.781 565 1HG LYS 71 2HG LYS 71 -1.079 -12.317 2.128 566 2HG LYS 71 3HG LYS 71 -2.683 -12.347 2.842 567 1HD LYS 71 2HD LYS 71 -2.254 -11.996 -0.169 568 2HD LYS 71 3HD LYS 71 -2.175 -13.586 0.602 569 1HE LYS 71 2HE LYS 71 -4.525 -13.161 1.519 570 2HE LYS 71 3HE LYS 71 -4.608 -11.752 0.440 571 1HZ LYS 71 1HZ LYS 71 -4.173 -14.518 -0.441 572 2HZ LYS 71 2HZ LYS 71 -5.581 -13.681 -0.531 573 3HZ LYS 71 3HZ LYS 71 -4.286 -13.194 -1.414 574 H LYS 72 H LYS 72 -3.041 -10.859 4.275 575 HA LYS 72 HA LYS 72 -4.251 -8.863 6.138 576 1HB LYS 72 2HB LYS 72 -4.260 -10.546 7.793 577 2HB LYS 72 3HB LYS 72 -4.841 -11.332 6.320 578 1HG LYS 72 2HG LYS 72 -2.416 -12.170 5.980 579 2HG LYS 72 3HG LYS 72 -2.078 -11.533 7.596 580 1HD LYS 72 2HD LYS 72 -4.028 -12.941 8.446 581 2HD LYS 72 3HD LYS 72 -4.045 -13.723 6.849 582 1HE LYS 72 2HE LYS 72 -1.603 -14.323 7.186 583 2HE LYS 72 3HE LYS 72 -1.675 -13.587 8.795 584 1HZ LYS 72 1HZ LYS 72 -3.227 -15.928 7.903 585 2HZ LYS 72 2HZ LYS 72 -1.942 -15.934 8.929 586 3HZ LYS 72 3HZ LYS 72 -3.350 -15.220 9.387 587 H ILE 73 H ILE 73 -2.914 -8.363 8.100 588 HA ILE 73 HA ILE 73 -0.264 -7.632 7.272 589 HB ILE 73 HB ILE 73 -0.151 -6.462 9.302 590 1HG1 ILE 73 2HG1 ILE 73 -2.755 -7.783 10.135 591 2HG1 ILE 73 3HG1 ILE 73 -1.154 -8.200 10.762 592 1HG2 ILE 73 1HG2 ILE 73 -3.034 -6.102 8.406 593 2HG2 ILE 73 2HG2 ILE 73 -1.845 -4.866 8.841 594 3HG2 ILE 73 3HG2 ILE 73 -1.682 -5.734 7.328 595 1HD1 ILE 73 1HD1 ILE 73 -2.531 -5.519 11.111 596 2HD1 ILE 73 2HD1 ILE 73 -2.227 -6.745 12.352 597 3HD1 ILE 73 3HD1 ILE 73 -0.859 -5.892 11.612 598 H GLU 74 H GLU 74 1.667 -8.235 8.194 599 HA GLU 74 HA GLU 74 1.771 -10.814 9.717 600 1HB GLU 74 2HB GLU 74 3.675 -9.520 7.742 601 2HB GLU 74 3HB GLU 74 4.130 -10.903 8.753 602 1HG GLU 74 2HG GLU 74 2.689 -12.386 7.681 603 2HG GLU 74 3HG GLU 74 1.561 -11.139 7.162 604 H GLY 75 H GLY 75 3.903 -10.705 11.251 605 1HA GLY 75 1HA GLY 75 3.798 -8.042 12.651 606 2HA GLY 75 2HA GLY 75 3.094 -9.463 13.434 607 H ARG 76 H ARG 76 4.592 -11.405 13.100 608 HA ARG 76 HA ARG 76 7.467 -10.839 13.152 609 1HB ARG 76 2HB ARG 76 5.927 -13.268 14.175 610 2HB ARG 76 3HB ARG 76 7.660 -13.266 13.815 611 1HG ARG 76 2HG ARG 76 8.160 -11.700 15.533 612 2HG ARG 76 3HG ARG 76 6.466 -11.276 15.797 613 1HD ARG 76 2HD ARG 76 7.550 -14.083 16.254 614 2HD ARG 76 3HD ARG 76 7.534 -12.828 17.517 615 HE ARG 76 HE ARG 76 4.943 -12.938 16.423 616 1HH1 ARG 76 1HH2 ARG 76 7.074 -15.064 18.237 617 2HH1 ARG 76 2HH2 ARG 76 5.825 -15.796 19.200 618 1HH2 ARG 76 1HH1 ARG 76 3.237 -13.836 17.717 619 2HH2 ARG 76 2HH1 ARG 76 3.577 -15.075 18.879 Start of MODEL 23 1 1H GLY 1 1H GLY 1 3.636 -0.926 15.047 2 2H GLY 1 2H GLY 1 3.190 -2.057 16.182 3 3H GLY 1 3H GLY 1 2.204 -1.663 14.883 4 1HA GLY 1 1HA GLY 1 1.579 -0.637 17.108 5 2HA GLY 1 2HA GLY 1 2.979 0.413 16.790 6 H GLU 2 H GLU 2 3.026 1.054 14.344 7 HA GLU 2 HA GLU 2 0.536 1.600 12.931 8 1HB GLU 2 2HB GLU 2 2.241 1.095 10.961 9 2HB GLU 2 3HB GLU 2 2.250 2.620 11.829 10 1HG GLU 2 2HG GLU 2 4.508 1.484 11.314 11 2HG GLU 2 3HG GLU 2 4.248 2.182 12.917 12 H VAL 3 H VAL 3 0.141 0.149 10.898 13 HA VAL 3 HA VAL 3 0.504 -2.708 11.439 14 HB VAL 3 HB VAL 3 -1.626 -3.071 10.494 15 1HG1 VAL 3 1HG1 VAL 3 -1.437 -3.157 12.886 16 2HG1 VAL 3 2HG1 VAL 3 -1.647 -1.405 13.009 17 3HG1 VAL 3 3HG1 VAL 3 -2.996 -2.429 12.466 18 1HG2 VAL 3 1HG2 VAL 3 -1.953 -1.162 9.170 19 2HG2 VAL 3 2HG2 VAL 3 -3.313 -1.329 10.301 20 3HG2 VAL 3 3HG2 VAL 3 -2.040 -0.122 10.595 21 H VAL 4 H VAL 4 1.026 -3.865 9.631 22 HA VAL 4 HA VAL 4 1.776 -2.384 7.180 23 HB VAL 4 HB VAL 4 3.048 -4.500 8.727 24 1HG1 VAL 4 1HG1 VAL 4 2.788 -5.067 5.744 25 2HG1 VAL 4 2HG1 VAL 4 3.877 -5.878 6.888 26 3HG1 VAL 4 3HG1 VAL 4 2.137 -6.069 7.055 27 1HG2 VAL 4 1HG2 VAL 4 5.002 -3.829 7.410 28 2HG2 VAL 4 2HG2 VAL 4 3.950 -2.945 6.285 29 3HG2 VAL 4 3HG2 VAL 4 4.124 -2.403 7.978 30 H LEU 5 H LEU 5 0.652 -2.763 5.382 31 HA LEU 5 HA LEU 5 -1.122 -5.143 5.188 32 1HB LEU 5 2HB LEU 5 -2.209 -2.901 5.232 33 2HB LEU 5 3HB LEU 5 -1.187 -2.370 3.913 34 HG LEU 5 HG LEU 5 -3.480 -2.901 3.257 35 1HD1 LEU 5 1HD1 LEU 5 -3.006 -3.856 1.211 36 2HD1 LEU 5 2HD1 LEU 5 -1.463 -3.141 1.711 37 3HD1 LEU 5 3HD1 LEU 5 -1.721 -4.892 1.842 38 1HD2 LEU 5 1HD2 LEU 5 -2.900 -5.851 3.589 39 2HD2 LEU 5 2HD2 LEU 5 -3.439 -4.919 4.999 40 3HD2 LEU 5 3HD2 LEU 5 -4.466 -5.004 3.579 41 H LYS 6 H LYS 6 -0.454 -6.589 3.539 42 HA LYS 6 HA LYS 6 1.722 -5.670 1.730 43 1HB LYS 6 2HB LYS 6 2.012 -7.561 3.708 44 2HB LYS 6 3HB LYS 6 1.443 -8.552 2.365 45 1HG LYS 6 2HG LYS 6 3.694 -8.664 1.971 46 2HG LYS 6 3HG LYS 6 3.325 -7.221 1.016 47 1HD LYS 6 2HD LYS 6 4.016 -5.776 2.914 48 2HD LYS 6 3HD LYS 6 4.189 -7.190 3.960 49 1HE LYS 6 2HE LYS 6 6.396 -6.501 3.267 50 2HE LYS 6 3HE LYS 6 6.017 -8.083 2.566 51 1HZ LYS 6 1HZ LYS 6 5.801 -5.515 1.118 52 2HZ LYS 6 2HZ LYS 6 7.039 -6.606 0.982 53 3HZ LYS 6 3HZ LYS 6 5.563 -7.054 0.498 54 H MET 7 H MET 7 1.065 -5.780 -0.403 55 HA MET 7 HA MET 7 -1.158 -7.571 -1.085 56 1HB MET 7 2HB MET 7 -2.267 -5.738 -2.202 57 2HB MET 7 3HB MET 7 -1.965 -5.344 -0.493 58 1HG MET 7 2HG MET 7 0.051 -4.170 -1.251 59 2HG MET 7 3HG MET 7 -0.692 -4.207 -2.877 60 1HE MET 7 1HE MET 7 -3.792 -1.840 -2.222 61 2HE MET 7 2HE MET 7 -2.813 -2.622 -3.485 62 3HE MET 7 3HE MET 7 -3.718 -3.614 -2.308 63 H LYS 8 H LYS 8 -0.972 -8.478 -2.946 64 HA LYS 8 HA LYS 8 1.573 -8.169 -4.514 65 1HB LYS 8 2HB LYS 8 -0.778 -10.062 -4.759 66 2HB LYS 8 3HB LYS 8 0.383 -9.835 -6.064 67 1HG LYS 8 2HG LYS 8 0.973 -11.756 -4.822 68 2HG LYS 8 3HG LYS 8 2.221 -10.512 -4.637 69 1HD LYS 8 2HD LYS 8 1.486 -9.993 -2.397 70 2HD LYS 8 3HD LYS 8 0.035 -11.003 -2.551 71 1HE LYS 8 2HE LYS 8 1.304 -13.030 -2.494 72 2HE LYS 8 3HE LYS 8 2.808 -12.200 -2.934 73 1HZ LYS 8 1HZ LYS 8 1.483 -11.843 -0.336 74 2HZ LYS 8 2HZ LYS 8 2.812 -12.790 -0.631 75 3HZ LYS 8 3HZ LYS 8 2.884 -11.170 -0.845 76 H VAL 9 H VAL 9 1.655 -6.972 -6.453 77 HA VAL 9 HA VAL 9 -0.894 -5.850 -7.512 78 HB VAL 9 HB VAL 9 0.486 -3.910 -8.243 79 1HG1 VAL 9 1HG1 VAL 9 0.209 -4.223 -5.228 80 2HG1 VAL 9 2HG1 VAL 9 0.368 -2.686 -6.108 81 3HG1 VAL 9 3HG1 VAL 9 -1.060 -3.703 -6.360 82 1HG2 VAL 9 1HG2 VAL 9 2.749 -4.845 -7.956 83 2HG2 VAL 9 2HG2 VAL 9 2.550 -3.318 -7.091 84 3HG2 VAL 9 3HG2 VAL 9 2.530 -4.844 -6.190 85 H GLU 10 H GLU 10 -0.876 -5.765 -9.828 86 HA GLU 10 HA GLU 10 1.343 -7.331 -11.078 87 1HB GLU 10 2HB GLU 10 -1.586 -7.370 -11.782 88 2HB GLU 10 3HB GLU 10 -0.313 -8.111 -12.748 89 1HG GLU 10 2HG GLU 10 -0.822 -8.881 -9.836 90 2HG GLU 10 3HG GLU 10 -1.460 -9.753 -11.239 91 H GLY 11 H GLY 11 2.085 -6.747 -13.047 92 1HA GLY 11 1HA GLY 11 2.168 -5.548 -15.052 93 2HA GLY 11 2HA GLY 11 0.912 -4.443 -14.483 94 H MET 12 H MET 12 2.269 -3.848 -11.932 95 HA MET 12 HA MET 12 3.825 -1.604 -12.764 96 1HB MET 12 2HB MET 12 3.406 -2.965 -10.083 97 2HB MET 12 3HB MET 12 4.371 -1.493 -10.316 98 1HG MET 12 2HG MET 12 2.448 -0.262 -11.101 99 2HG MET 12 3HG MET 12 1.472 -1.723 -11.257 100 1HE MET 12 1HE MET 12 2.705 -0.093 -7.130 101 2HE MET 12 2HE MET 12 3.729 -1.190 -8.076 102 3HE MET 12 3HE MET 12 3.418 0.464 -8.668 103 H THR 13 H THR 13 5.560 -2.339 -14.060 104 HA THR 13 HA THR 13 7.818 -3.597 -12.567 105 HB THR 13 HB THR 13 8.450 -4.508 -14.826 106 HG1 THR 13 1HG THR 13 6.676 -4.483 -16.357 107 1HG2 THR 13 1HG2 THR 13 5.645 -5.323 -13.940 108 2HG2 THR 13 2HG2 THR 13 6.816 -6.311 -14.825 109 3HG2 THR 13 3HG2 THR 13 7.133 -5.860 -13.142 110 H CYS 14 HN CYS 14 7.748 -0.958 -12.144 111 HA CYS 14 HA CYS 14 10.058 0.041 -13.646 112 1HB CYS 14 2HB CYS 14 8.798 2.106 -14.299 113 2HB CYS 14 3HB CYS 14 8.148 0.665 -15.080 114 H HIS 15 H HIS 15 10.736 2.156 -12.675 115 HA HIS 15 HA HIS 15 10.249 2.269 -9.772 116 1HB HIS 15 2HB HIS 15 12.034 3.667 -9.595 117 2HB HIS 15 3HB HIS 15 12.533 2.564 -10.874 118 HD1 HIS 15 1HD HIS 15 12.373 6.141 -10.080 119 HD2 HIS 15 2HD HIS 15 12.002 3.761 -13.530 120 HE1 HIS 15 1HE HIS 15 12.752 7.685 -12.079 121 H SER 16 H SER 16 8.592 3.379 -12.475 122 HA SER 16 HA SER 16 8.221 6.141 -11.618 123 1HB SER 16 2HB SER 16 8.354 5.154 -14.065 124 2HB SER 16 3HB SER 16 6.607 4.945 -13.872 125 HG SER 16 HG SER 16 7.257 7.016 -14.703 126 H CYS 17 HN CYS 17 5.726 3.671 -12.486 127 HA CYS 17 HA CYS 17 3.615 4.794 -11.160 128 1HB CYS 17 2HB CYS 17 4.135 1.828 -11.598 129 2HB CYS 17 3HB CYS 17 2.574 2.596 -11.306 130 H THR 18 H THR 18 5.965 2.449 -9.875 131 HA THR 18 HA THR 18 4.940 1.912 -7.315 132 HB THR 18 HB THR 18 7.462 1.565 -6.880 133 HG1 THR 18 1HG THR 18 8.243 1.610 -9.384 134 1HG2 THR 18 1HG2 THR 18 6.402 0.308 -9.471 135 2HG2 THR 18 2HG2 THR 18 7.639 -0.350 -8.382 136 3HG2 THR 18 3HG2 THR 18 5.955 -0.240 -7.858 137 H SER 19 H SER 19 7.466 4.298 -8.168 138 HA SER 19 HA SER 19 7.483 5.718 -5.716 139 1HB SER 19 2HB SER 19 9.213 5.886 -7.458 140 2HB SER 19 3HB SER 19 8.086 6.750 -8.526 141 HG SER 19 HG SER 19 9.505 8.126 -7.293 142 H THR 20 H THR 20 5.521 6.370 -8.688 143 HA THR 20 HA THR 20 4.231 8.697 -7.794 144 HB THR 20 HB THR 20 3.202 6.476 -9.611 145 HG1 THR 20 1HG THR 20 4.775 8.788 -9.991 146 1HG2 THR 20 1HG2 THR 20 2.266 9.356 -9.298 147 2HG2 THR 20 2HG2 THR 20 1.822 8.266 -10.631 148 3HG2 THR 20 3HG2 THR 20 1.321 7.881 -8.979 149 H ILE 21 H ILE 21 3.258 5.223 -7.284 150 HA ILE 21 HA ILE 21 0.871 5.803 -5.842 151 HB ILE 21 HB ILE 21 2.718 3.481 -6.388 152 1HG1 ILE 21 2HG1 ILE 21 -0.299 3.595 -6.515 153 2HG1 ILE 21 3HG1 ILE 21 0.707 4.348 -7.751 154 1HG2 ILE 21 1HG2 ILE 21 2.379 3.140 -4.081 155 2HG2 ILE 21 2HG2 ILE 21 0.615 3.449 -4.254 156 3HG2 ILE 21 3HG2 ILE 21 1.375 2.013 -4.998 157 1HD1 ILE 21 1HD1 ILE 21 0.757 1.396 -7.023 158 2HD1 ILE 21 2HD1 ILE 21 0.114 2.139 -8.488 159 3HD1 ILE 21 3HD1 ILE 21 1.849 2.199 -8.182 160 H GLU 22 H GLU 22 4.214 5.028 -4.831 161 HA GLU 22 HA GLU 22 3.983 5.258 -2.082 162 1HB GLU 22 2HB GLU 22 6.123 5.425 -4.086 163 2HB GLU 22 3HB GLU 22 6.527 6.336 -2.664 164 1HG GLU 22 2HG GLU 22 6.064 4.336 -1.268 165 2HG GLU 22 3HG GLU 22 5.491 3.465 -2.706 166 H GLY 23 H GLY 23 4.635 7.972 -4.336 167 1HA GLY 23 1HA GLY 23 4.434 10.078 -2.480 168 2HA GLY 23 2HA GLY 23 4.099 10.188 -4.214 169 H LYS 24 H LYS 24 1.859 8.832 -4.702 170 HA LYS 24 HA LYS 24 -0.063 10.704 -3.950 171 1HB LYS 24 2HB LYS 24 0.028 8.829 -5.893 172 2HB LYS 24 3HB LYS 24 -0.965 7.946 -4.751 173 1HG LYS 24 2HG LYS 24 -2.610 9.014 -5.910 174 2HG LYS 24 3HG LYS 24 -2.355 10.251 -4.682 175 1HD LYS 24 2HD LYS 24 -0.889 11.520 -6.219 176 2HD LYS 24 3HD LYS 24 -0.905 10.180 -7.377 177 1HE LYS 24 2HE LYS 24 -3.488 10.520 -7.481 178 2HE LYS 24 3HE LYS 24 -3.180 12.083 -6.707 179 1HZ LYS 24 1HZ LYS 24 -2.055 11.139 -9.271 180 2HZ LYS 24 2HZ LYS 24 -3.249 12.249 -9.097 181 3HZ LYS 24 3HZ LYS 24 -1.725 12.600 -8.589 182 H ILE 25 H ILE 25 0.453 7.428 -2.728 183 HA ILE 25 HA ILE 25 -1.720 7.557 -0.798 184 HB ILE 25 HB ILE 25 0.569 5.629 -1.125 185 1HG1 ILE 25 2HG1 ILE 25 -1.014 5.661 -3.023 186 2HG1 ILE 25 3HG1 ILE 25 -0.831 4.125 -2.178 187 1HG2 ILE 25 1HG2 ILE 25 -1.789 5.552 0.772 188 2HG2 ILE 25 2HG2 ILE 25 -0.832 4.117 0.345 189 3HG2 ILE 25 3HG2 ILE 25 -0.058 5.480 1.163 190 1HD1 ILE 25 1HD1 ILE 25 -3.081 6.082 -1.635 191 2HD1 ILE 25 2HD1 ILE 25 -3.194 4.682 -2.721 192 3HD1 ILE 25 3HD1 ILE 25 -2.888 4.437 -0.984 193 H GLY 26 H GLY 26 1.860 8.020 -0.661 194 1HA GLY 26 1HA GLY 26 2.206 8.550 2.046 195 2HA GLY 26 2HA GLY 26 3.064 9.355 0.720 196 H LYS 27 H LYS 27 0.795 10.678 -0.470 197 HA LYS 27 HA LYS 27 0.692 13.043 1.005 198 1HB LYS 27 2HB LYS 27 0.304 12.562 -1.461 199 2HB LYS 27 3HB LYS 27 -1.384 12.257 -1.022 200 1HG LYS 27 2HG LYS 27 -0.966 14.699 0.191 201 2HG LYS 27 3HG LYS 27 0.266 14.761 -1.066 202 1HD LYS 27 2HD LYS 27 -1.632 15.761 -2.062 203 2HD LYS 27 3HD LYS 27 -1.613 14.114 -2.724 204 1HE LYS 27 2HE LYS 27 -3.260 13.464 -0.859 205 2HE LYS 27 3HE LYS 27 -3.300 15.159 -0.375 206 1HZ LYS 27 1HZ LYS 27 -4.165 14.079 -2.974 207 2HZ LYS 27 2HZ LYS 27 -5.140 14.595 -1.759 208 3HZ LYS 27 3HZ LYS 27 -4.192 15.676 -2.557 209 H LEU 28 H LEU 28 -1.222 10.130 1.563 210 HA LEU 28 HA LEU 28 -3.645 11.483 2.461 211 1HB LEU 28 2HB LEU 28 -2.826 8.629 2.655 212 2HB LEU 28 3HB LEU 28 -4.405 9.343 2.928 213 HG LEU 28 HG LEU 28 -2.966 9.065 0.270 214 1HD1 LEU 28 1HD1 LEU 28 -5.761 8.538 1.294 215 2HD1 LEU 28 2HD1 LEU 28 -5.146 8.034 -0.303 216 3HD1 LEU 28 3HD1 LEU 28 -4.481 7.303 1.177 217 1HD2 LEU 28 1HD2 LEU 28 -5.331 10.912 0.828 218 2HD2 LEU 28 2HD2 LEU 28 -3.742 11.381 0.170 219 3HD2 LEU 28 3HD2 LEU 28 -4.822 10.361 -0.780 220 H GLN 29 H GLN 29 -4.342 11.737 4.536 221 HA GLN 29 HA GLN 29 -2.374 11.733 6.613 222 1HB GLN 29 2HB GLN 29 -4.053 12.789 7.986 223 2HB GLN 29 3HB GLN 29 -4.042 13.488 6.364 224 1HG GLN 29 2HG GLN 29 -5.980 11.767 5.885 225 2HG GLN 29 3HG GLN 29 -6.095 11.667 7.645 226 1HE2 GLN 29 2HE2 GLN 29 -7.694 12.993 8.449 227 2HE2 GLN 29 1HE2 GLN 29 -8.120 14.548 7.756 228 H GLY 30 H GLY 30 -1.673 9.737 7.308 229 1HA GLY 30 1HA GLY 30 -2.767 8.313 9.286 230 2HA GLY 30 2HA GLY 30 -3.679 7.632 7.948 231 H VAL 31 H VAL 31 -1.165 8.087 6.194 232 HA VAL 31 HA VAL 31 -0.042 5.466 6.829 233 HB VAL 31 HB VAL 31 0.427 7.405 4.505 234 1HG1 VAL 31 1HG1 VAL 31 1.142 4.454 4.815 235 2HG1 VAL 31 2HG1 VAL 31 1.332 5.412 3.330 236 3HG1 VAL 31 3HG1 VAL 31 2.295 5.809 4.757 237 1HG2 VAL 31 1HG2 VAL 31 -1.047 5.834 3.238 238 2HG2 VAL 31 2HG2 VAL 31 -1.389 4.974 4.755 239 3HG2 VAL 31 3HG2 VAL 31 -1.915 6.657 4.531 240 H GLN 32 H GLN 32 2.023 5.163 7.701 241 HA GLN 32 HA GLN 32 3.586 7.648 8.269 242 1HB GLN 32 2HB GLN 32 4.582 6.565 10.029 243 2HB GLN 32 3HB GLN 32 2.838 6.374 10.218 244 1HG GLN 32 2HG GLN 32 2.917 4.060 9.864 245 2HG GLN 32 3HG GLN 32 4.470 4.111 9.025 246 1HE2 GLN 32 2HE2 GLN 32 6.229 3.475 10.194 247 2HE2 GLN 32 1HE2 GLN 32 6.341 3.611 11.939 248 H ARG 33 H ARG 33 3.632 4.489 6.623 249 HA ARG 33 HA ARG 33 5.947 5.370 5.122 250 1HB ARG 33 2HB ARG 33 6.608 4.010 7.424 251 2HB ARG 33 3HB ARG 33 6.381 2.655 6.310 252 1HG ARG 33 2HG ARG 33 8.000 3.707 4.731 253 2HG ARG 33 3HG ARG 33 8.204 5.041 5.882 254 1HD ARG 33 2HD ARG 33 8.870 3.231 7.626 255 2HD ARG 33 3HD ARG 33 8.826 2.077 6.302 256 HE ARG 33 HE ARG 33 10.845 2.816 5.551 257 1HH1 ARG 33 1HH2 ARG 33 9.492 5.292 7.654 258 2HH1 ARG 33 2HH2 ARG 33 10.955 6.213 7.812 259 1HH2 ARG 33 1HH1 ARG 33 12.821 4.026 5.694 260 2HH2 ARG 33 2HH1 ARG 33 12.887 5.481 6.631 261 H ILE 34 H ILE 34 6.390 3.749 3.363 262 HA ILE 34 HA ILE 34 4.329 1.905 2.690 263 HB ILE 34 HB ILE 34 3.177 3.920 2.154 264 1HG1 ILE 34 2HG1 ILE 34 4.425 3.033 -0.449 265 2HG1 ILE 34 3HG1 ILE 34 3.387 1.995 0.484 266 1HG2 ILE 34 1HG2 ILE 34 4.847 5.629 2.219 267 2HG2 ILE 34 2HG2 ILE 34 5.721 4.941 0.844 268 3HG2 ILE 34 3HG2 ILE 34 4.131 5.692 0.618 269 1HD1 ILE 34 1HD1 ILE 34 2.524 4.728 -0.532 270 2HD1 ILE 34 2HD1 ILE 34 2.101 3.173 -1.274 271 3HD1 ILE 34 3HD1 ILE 34 1.531 3.571 0.362 272 H LYS 35 H LYS 35 5.178 0.599 1.059 273 HA LYS 35 HA LYS 35 7.763 1.203 -0.074 274 1HB LYS 35 2HB LYS 35 7.459 -0.771 2.123 275 2HB LYS 35 3HB LYS 35 8.377 -1.290 0.696 276 1HG LYS 35 2HG LYS 35 8.985 1.155 2.384 277 2HG LYS 35 3HG LYS 35 9.744 -0.443 2.530 278 1HD LYS 35 2HD LYS 35 10.321 -0.225 0.009 279 2HD LYS 35 3HD LYS 35 9.832 1.457 0.173 280 1HE LYS 35 2HE LYS 35 11.865 2.019 0.942 281 2HE LYS 35 3HE LYS 35 11.648 0.959 2.339 282 1HZ LYS 35 1HZ LYS 35 12.731 0.155 -0.281 283 2HZ LYS 35 2HZ LYS 35 13.599 0.376 1.097 284 3HZ LYS 35 3HZ LYS 35 12.515 -0.856 1.001 285 H VAL 36 H VAL 36 7.815 0.657 -2.226 286 HA VAL 36 HA VAL 36 6.152 -1.752 -2.931 287 HB VAL 36 HB VAL 36 6.707 0.671 -4.662 288 1HG1 VAL 36 1HG1 VAL 36 4.785 -1.715 -4.870 289 2HG1 VAL 36 2HG1 VAL 36 4.795 -0.314 -5.950 290 3HG1 VAL 36 3HG1 VAL 36 6.187 -1.420 -5.915 291 1HG2 VAL 36 1HG2 VAL 36 4.193 -0.067 -3.084 292 2HG2 VAL 36 2HG2 VAL 36 5.267 1.287 -2.711 293 3HG2 VAL 36 3HG2 VAL 36 4.361 1.287 -4.223 294 H SER 37 H SER 37 6.893 -3.374 -4.091 295 HA SER 37 HA SER 37 9.762 -3.394 -4.910 296 1HB SER 37 2HB SER 37 8.069 -5.591 -3.829 297 2HB SER 37 3HB SER 37 9.768 -5.726 -4.313 298 HG SER 37 HG SER 37 9.578 -5.418 -2.057 299 H LEU 38 H LEU 38 10.036 -3.755 -7.063 300 HA LEU 38 HA LEU 38 7.741 -4.379 -8.741 301 1HB LEU 38 2HB LEU 38 8.798 -3.098 -10.142 302 2HB LEU 38 3HB LEU 38 10.150 -2.938 -9.036 303 HG LEU 38 HG LEU 38 11.243 -4.885 -10.118 304 1HD1 LEU 38 1HD1 LEU 38 10.065 -6.274 -11.479 305 2HD1 LEU 38 2HD1 LEU 38 8.637 -5.232 -11.371 306 3HD1 LEU 38 3HD1 LEU 38 9.854 -4.950 -12.628 307 1HD2 LEU 38 1HD2 LEU 38 10.435 -2.593 -11.936 308 2HD2 LEU 38 2HD2 LEU 38 11.773 -2.604 -10.770 309 3HD2 LEU 38 3HD2 LEU 38 11.830 -3.670 -12.185 310 H ASP 39 H ASP 39 10.935 -5.998 -8.084 311 HA ASP 39 HA ASP 39 10.761 -8.075 -9.801 312 1HB ASP 39 2HB ASP 39 11.700 -8.411 -6.912 313 2HB ASP 39 3HB ASP 39 12.271 -9.257 -8.342 314 H ASN 40 H ASN 40 9.592 -8.056 -6.476 315 HA ASN 40 HA ASN 40 8.382 -10.658 -6.763 316 1HB ASN 40 2HB ASN 40 9.506 -9.400 -4.697 317 2HB ASN 40 3HB ASN 40 7.788 -9.264 -4.284 318 1HD2 ASN 40 2HD2 ASN 40 10.514 -11.445 -4.932 319 2HD2 ASN 40 1HD2 ASN 40 9.769 -12.876 -4.246 320 H GLN 41 H GLN 41 7.416 -7.802 -7.919 321 HA GLN 41 HA GLN 41 5.705 -6.428 -8.011 322 1HB GLN 41 2HB GLN 41 5.409 -8.809 -9.434 323 2HB GLN 41 3HB GLN 41 3.810 -8.584 -8.745 324 1HG GLN 41 2HG GLN 41 3.807 -6.278 -9.781 325 2HG GLN 41 3HG GLN 41 5.458 -6.539 -10.330 326 1HE2 GLN 41 2HE2 GLN 41 2.940 -9.180 -10.527 327 2HE2 GLN 41 1HE2 GLN 41 2.956 -9.201 -12.238 328 H GLU 42 H GLU 42 5.857 -6.102 -5.627 329 HA GLU 42 HA GLU 42 3.238 -6.652 -4.362 330 1HB GLU 42 2HB GLU 42 4.935 -8.521 -3.772 331 2HB GLU 42 3HB GLU 42 5.777 -7.280 -2.825 332 1HG GLU 42 2HG GLU 42 3.555 -6.862 -1.620 333 2HG GLU 42 3HG GLU 42 2.890 -8.221 -2.530 334 H ALA 43 H ALA 43 2.545 -5.138 -3.022 335 HA ALA 43 HA ALA 43 4.276 -2.794 -2.430 336 1HB ALA 43 1HB ALA 43 1.276 -2.946 -2.824 337 2HB ALA 43 2HB ALA 43 2.159 -1.516 -2.256 338 3HB ALA 43 3HB ALA 43 2.454 -2.161 -3.883 339 H THR 44 H THR 44 4.208 -1.963 -0.439 340 HA THR 44 HA THR 44 3.265 -3.512 1.909 341 HB THR 44 HB THR 44 5.777 -1.773 1.447 342 HG1 THR 44 1HG THR 44 6.885 -3.578 1.312 343 1HG2 THR 44 1HG2 THR 44 4.856 -3.408 3.865 344 2HG2 THR 44 2HG2 THR 44 6.458 -2.662 3.694 345 3HG2 THR 44 3HG2 THR 44 5.018 -1.645 3.774 346 H ILE 45 H ILE 45 1.791 -2.148 3.033 347 HA ILE 45 HA ILE 45 2.155 0.826 2.718 348 HB ILE 45 HB ILE 45 -0.480 -0.604 3.042 349 1HG1 ILE 45 2HG1 ILE 45 0.608 -1.184 0.786 350 2HG1 ILE 45 3HG1 ILE 45 -1.016 -0.493 0.795 351 1HG2 ILE 45 1HG2 ILE 45 -1.325 1.580 2.217 352 2HG2 ILE 45 2HG2 ILE 45 -0.574 1.638 3.827 353 3HG2 ILE 45 3HG2 ILE 45 0.302 2.257 2.411 354 1HD1 ILE 45 1HD1 ILE 45 1.503 1.088 0.311 355 2HD1 ILE 45 2HD1 ILE 45 0.498 0.402 -0.967 356 3HD1 ILE 45 3HD1 ILE 45 -0.164 1.666 0.090 357 H VAL 46 H VAL 46 2.691 1.721 4.666 358 HA VAL 46 HA VAL 46 2.178 0.065 7.103 359 HB VAL 46 HB VAL 46 4.344 2.135 6.840 360 1HG1 VAL 46 1HG1 VAL 46 3.961 -0.295 8.608 361 2HG1 VAL 46 2HG1 VAL 46 5.345 0.814 8.645 362 3HG1 VAL 46 3HG1 VAL 46 3.726 1.401 9.082 363 1HG2 VAL 46 1HG2 VAL 46 4.442 -0.794 6.076 364 2HG2 VAL 46 2HG2 VAL 46 4.853 0.586 5.037 365 3HG2 VAL 46 3HG2 VAL 46 5.890 0.173 6.412 366 H TYR 47 H TYR 47 0.304 0.873 7.937 367 HA TYR 47 HA TYR 47 0.073 3.843 8.139 368 1HB TYR 47 2HB TYR 47 -2.116 3.853 7.369 369 2HB TYR 47 3HB TYR 47 -1.255 2.854 6.215 370 HD1 TYR 47 1HD TYR 47 -3.729 2.923 8.953 371 HD2 TYR 47 2HD TYR 47 -1.841 0.462 5.963 372 HE1 TYR 47 1HE TYR 47 -5.401 1.169 9.357 373 HE2 TYR 47 2HE TYR 47 -3.644 -1.225 6.247 374 HH TYR 47 HH TYR 47 -6.098 -0.952 8.819 375 H GLN 48 H GLN 48 -1.641 4.559 9.552 376 HA GLN 48 HA GLN 48 -1.138 3.362 12.180 377 1HB GLN 48 2HB GLN 48 -0.669 5.708 11.442 378 2HB GLN 48 3HB GLN 48 -2.398 5.981 11.346 379 1HG GLN 48 2HG GLN 48 -0.882 5.046 13.847 380 2HG GLN 48 3HG GLN 48 -1.322 6.719 13.524 381 1HE2 GLN 48 2HE2 GLN 48 -2.187 4.434 15.566 382 2HE2 GLN 48 1HE2 GLN 48 -3.925 4.618 15.582 383 HA PRO 49 HA PRO 49 -5.355 1.710 11.582 384 1HB PRO 49 2HB PRO 49 -5.572 0.021 13.708 385 2HB PRO 49 3HB PRO 49 -4.443 -0.303 12.366 386 1HG PRO 49 2HG PRO 49 -3.788 1.156 14.959 387 2HG PRO 49 3HG PRO 49 -3.003 -0.322 14.352 388 1HD PRO 49 2HD PRO 49 -1.894 2.024 13.793 389 2HD PRO 49 3HD PRO 49 -2.078 0.895 12.465 390 H HIS 50 H HIS 50 -5.829 4.050 11.988 391 HA HIS 50 HA HIS 50 -8.145 4.136 13.587 392 1HB HIS 50 2HB HIS 50 -5.813 4.850 15.105 393 2HB HIS 50 3HB HIS 50 -6.656 6.349 14.763 394 HD1 HIS 50 1HD HIS 50 -9.397 6.251 15.532 395 HD2 HIS 50 2HD HIS 50 -6.691 3.427 17.093 396 HE1 HIS 50 1HE HIS 50 -10.480 5.274 17.633 397 H LEU 51 H LEU 51 -5.493 6.126 12.225 398 HA LEU 51 HA LEU 51 -7.190 8.246 11.328 399 1HB LEU 51 2HB LEU 51 -4.508 7.340 10.436 400 2HB LEU 51 3HB LEU 51 -5.246 8.831 9.855 401 HG LEU 51 HG LEU 51 -5.029 8.408 12.852 402 1HD1 LEU 51 1HD1 LEU 51 -2.817 9.644 11.164 403 2HD1 LEU 51 2HD1 LEU 51 -2.903 9.565 12.937 404 3HD1 LEU 51 3HD1 LEU 51 -2.729 8.076 12.002 405 1HD2 LEU 51 1HD2 LEU 51 -5.010 10.859 12.865 406 2HD2 LEU 51 2HD2 LEU 51 -4.955 10.902 11.096 407 3HD2 LEU 51 3HD2 LEU 51 -6.398 10.298 11.927 408 H ILE 52 H ILE 52 -5.900 5.365 9.552 409 HA ILE 52 HA ILE 52 -8.002 5.689 7.543 410 HB ILE 52 HB ILE 52 -5.448 6.691 7.169 411 1HG1 ILE 52 2HG1 ILE 52 -6.012 6.291 4.672 412 2HG1 ILE 52 3HG1 ILE 52 -7.536 5.668 5.372 413 1HG2 ILE 52 1HG2 ILE 52 -5.361 4.038 5.695 414 2HG2 ILE 52 2HG2 ILE 52 -4.131 5.315 5.784 415 3HG2 ILE 52 3HG2 ILE 52 -4.478 4.368 7.229 416 1HD1 ILE 52 1HD1 ILE 52 -6.294 8.445 5.655 417 2HD1 ILE 52 2HD1 ILE 52 -7.766 8.050 4.762 418 3HD1 ILE 52 3HD1 ILE 52 -7.753 7.937 6.535 419 H SER 53 H SER 53 -7.666 3.581 5.939 420 HA SER 53 HA SER 53 -7.222 1.185 7.632 421 1HB SER 53 2HB SER 53 -9.454 0.361 6.970 422 2HB SER 53 3HB SER 53 -9.562 1.861 7.911 423 HG SER 53 HG SER 53 -10.876 2.072 6.096 424 H VAL 54 H VAL 54 -7.004 -0.778 6.402 425 HA VAL 54 HA VAL 54 -5.664 -0.968 4.064 426 HB VAL 54 HB VAL 54 -7.871 -2.737 5.150 427 1HG1 VAL 54 1HG1 VAL 54 -6.233 -3.095 2.638 428 2HG1 VAL 54 2HG1 VAL 54 -7.009 -4.472 3.465 429 3HG1 VAL 54 3HG1 VAL 54 -8.003 -3.196 2.782 430 1HG2 VAL 54 1HG2 VAL 54 -4.852 -2.987 4.925 431 2HG2 VAL 54 2HG2 VAL 54 -5.805 -2.910 6.418 432 3HG2 VAL 54 3HG2 VAL 54 -5.888 -4.337 5.380 433 H GLU 55 H GLU 55 -9.235 -0.682 4.248 434 HA GLU 55 HA GLU 55 -9.642 -1.162 1.504 435 1HB GLU 55 2HB GLU 55 -11.313 -1.163 3.481 436 2HB GLU 55 3HB GLU 55 -11.507 0.547 3.070 437 1HG GLU 55 2HG GLU 55 -11.865 -1.739 1.110 438 2HG GLU 55 3HG GLU 55 -13.190 -1.042 2.048 439 H GLU 56 H GLU 56 -9.381 1.996 3.194 440 HA GLU 56 HA GLU 56 -9.536 3.749 1.087 441 1HB GLU 56 2HB GLU 56 -9.038 3.935 3.799 442 2HB GLU 56 3HB GLU 56 -7.444 4.267 3.186 443 1HG GLU 56 2HG GLU 56 -9.947 5.727 2.216 444 2HG GLU 56 3HG GLU 56 -8.952 6.267 3.569 445 H MET 57 H MET 57 -6.545 2.090 2.359 446 HA MET 57 HA MET 57 -4.742 2.986 0.484 447 1HB MET 57 2HB MET 57 -4.786 0.301 1.721 448 2HB MET 57 3HB MET 57 -3.449 1.148 0.989 449 1HG MET 57 2HG MET 57 -4.903 2.092 3.466 450 2HG MET 57 3HG MET 57 -3.402 1.199 3.422 451 1HE MET 57 1HE MET 57 -5.173 4.549 3.352 452 2HE MET 57 2HE MET 57 -3.919 5.718 2.905 453 3HE MET 57 3HE MET 57 -4.696 4.747 1.654 454 H LYS 58 H LYS 58 -6.689 -0.079 0.210 455 HA LYS 58 HA LYS 58 -5.849 -0.587 -2.492 456 1HB LYS 58 2HB LYS 58 -6.577 -2.419 -1.715 457 2HB LYS 58 3HB LYS 58 -7.829 -1.731 -0.609 458 1HG LYS 58 2HG LYS 58 -9.289 -1.410 -2.583 459 2HG LYS 58 3HG LYS 58 -8.061 -2.138 -3.639 460 1HD LYS 58 2HD LYS 58 -8.403 -4.257 -2.770 461 2HD LYS 58 3HD LYS 58 -9.142 -3.659 -1.255 462 1HE LYS 58 2HE LYS 58 -11.156 -2.956 -2.381 463 2HE LYS 58 3HE LYS 58 -10.424 -3.154 -3.978 464 1HZ LYS 58 1HZ LYS 58 -11.006 -5.369 -2.156 465 2HZ LYS 58 2HZ LYS 58 -11.881 -4.933 -3.487 466 3HZ LYS 58 3HZ LYS 58 -10.334 -5.462 -3.675 467 H LYS 59 H LYS 59 -8.955 0.697 -1.383 468 HA LYS 59 HA LYS 59 -10.241 1.224 -3.711 469 1HB LYS 59 2HB LYS 59 -10.825 1.492 -1.228 470 2HB LYS 59 3HB LYS 59 -10.232 3.125 -1.354 471 1HG LYS 59 2HG LYS 59 -12.605 1.828 -2.797 472 2HG LYS 59 3HG LYS 59 -12.646 2.885 -1.400 473 1HD LYS 59 2HD LYS 59 -13.045 4.530 -2.905 474 2HD LYS 59 3HD LYS 59 -11.284 4.540 -2.997 475 1HE LYS 59 2HE LYS 59 -11.889 2.592 -4.879 476 2HE LYS 59 3HE LYS 59 -13.362 3.566 -4.966 477 1HZ LYS 59 1HZ LYS 59 -10.580 4.394 -5.336 478 2HZ LYS 59 2HZ LYS 59 -11.729 4.333 -6.511 479 3HZ LYS 59 3HZ LYS 59 -11.833 5.490 -5.332 480 H GLN 60 H GLN 60 -7.789 3.280 -2.073 481 HA GLN 60 HA GLN 60 -7.653 5.177 -4.304 482 1HB GLN 60 2HB GLN 60 -5.805 4.533 -2.041 483 2HB GLN 60 3HB GLN 60 -5.477 5.810 -3.204 484 1HG GLN 60 2HG GLN 60 -6.859 6.125 -0.822 485 2HG GLN 60 3HG GLN 60 -6.767 7.282 -2.133 486 1HE2 GLN 60 2HE2 GLN 60 -8.600 7.694 -3.449 487 2HE2 GLN 60 1HE2 GLN 60 -10.176 7.094 -2.950 488 H ILE 61 H ILE 61 -5.475 2.341 -3.493 489 HA ILE 61 HA ILE 61 -3.777 2.881 -5.759 490 HB ILE 61 HB ILE 61 -4.114 0.404 -4.042 491 1HG1 ILE 61 2HG1 ILE 61 -2.162 2.750 -4.197 492 2HG1 ILE 61 3HG1 ILE 61 -3.209 2.336 -2.865 493 1HG2 ILE 61 1HG2 ILE 61 -3.295 -0.260 -6.305 494 2HG2 ILE 61 2HG2 ILE 61 -2.039 0.990 -6.208 495 3HG2 ILE 61 3HG2 ILE 61 -2.032 -0.411 -5.109 496 1HD1 ILE 61 1HD1 ILE 61 -0.756 0.804 -3.747 497 2HD1 ILE 61 2HD1 ILE 61 -1.026 1.701 -2.249 498 3HD1 ILE 61 3HD1 ILE 61 -1.933 0.203 -2.544 499 H GLU 62 H GLU 62 -6.283 0.224 -5.368 500 HA GLU 62 HA GLU 62 -6.230 -0.650 -7.994 501 1HB GLU 62 2HB GLU 62 -7.908 -0.880 -5.596 502 2HB GLU 62 3HB GLU 62 -8.941 -0.524 -6.933 503 1HG GLU 62 2HG GLU 62 -8.042 -2.490 -8.115 504 2HG GLU 62 3HG GLU 62 -6.876 -2.775 -6.814 505 H ALA 63 H ALA 63 -7.741 2.378 -6.775 506 HA ALA 63 HA ALA 63 -9.343 2.863 -9.081 507 1HB ALA 63 1HB ALA 63 -7.935 4.884 -7.306 508 2HB ALA 63 2HB ALA 63 -9.236 5.238 -8.455 509 3HB ALA 63 3HB ALA 63 -9.557 4.189 -7.071 510 H MET 64 H MET 64 -5.831 3.234 -8.628 511 HA MET 64 HA MET 64 -5.248 4.907 -10.852 512 1HB MET 64 2HB MET 64 -3.724 2.577 -9.663 513 2HB MET 64 3HB MET 64 -3.098 3.754 -10.817 514 1HG MET 64 2HG MET 64 -4.081 4.453 -8.020 515 2HG MET 64 3HG MET 64 -2.414 4.189 -8.524 516 1HE MET 64 1HE MET 64 -3.047 6.724 -6.942 517 2HE MET 64 2HE MET 64 -1.451 6.339 -7.637 518 3HE MET 64 3HE MET 64 -2.172 7.938 -7.917 519 H GLY 65 H GLY 65 -5.975 1.426 -10.511 520 1HA GLY 65 1HA GLY 65 -7.176 0.500 -12.504 521 2HA GLY 65 2HA GLY 65 -5.775 0.994 -13.471 522 H PHE 66 H PHE 66 -4.200 0.291 -10.770 523 HA PHE 66 HA PHE 66 -3.244 -2.190 -11.834 524 1HB PHE 66 2HB PHE 66 -2.702 -0.768 -9.226 525 2HB PHE 66 3HB PHE 66 -1.683 -2.047 -9.918 526 HD1 PHE 66 1HD PHE 66 -1.823 1.358 -9.401 527 HD2 PHE 66 2HD PHE 66 -1.080 -1.442 -12.596 528 HE1 PHE 66 1HE PHE 66 -0.758 3.159 -10.739 529 HE2 PHE 66 2HE PHE 66 -0.072 0.380 -13.947 530 HZ PHE 66 HZ PHE 66 -0.008 2.694 -13.049 531 HA PRO 67 HA PRO 67 -6.267 -4.449 -9.216 532 1HB PRO 67 2HB PRO 67 -5.691 -7.010 -9.981 533 2HB PRO 67 3HB PRO 67 -6.626 -5.889 -11.017 534 1HG PRO 67 2HG PRO 67 -3.665 -6.504 -11.153 535 2HG PRO 67 3HG PRO 67 -4.833 -6.499 -12.506 536 1HD PRO 67 2HD PRO 67 -3.214 -4.383 -11.949 537 2HD PRO 67 3HD PRO 67 -4.883 -4.125 -12.547 538 H ALA 68 H ALA 68 -5.914 -5.308 -7.120 539 HA ALA 68 HA ALA 68 -3.165 -6.179 -6.505 540 1HB ALA 68 1HB ALA 68 -4.693 -4.193 -4.793 541 2HB ALA 68 2HB ALA 68 -3.082 -4.910 -4.502 542 3HB ALA 68 3HB ALA 68 -3.337 -3.789 -5.867 543 H PHE 69 H PHE 69 -2.994 -7.836 -5.205 544 HA PHE 69 HA PHE 69 -5.419 -8.970 -3.832 545 1HB PHE 69 2HB PHE 69 -2.863 -10.227 -4.643 546 2HB PHE 69 3HB PHE 69 -3.976 -10.968 -3.508 547 HD1 PHE 69 1HD PHE 69 -6.428 -11.334 -4.292 548 HD2 PHE 69 2HD PHE 69 -3.164 -10.548 -7.009 549 HE1 PHE 69 1HE PHE 69 -7.692 -12.411 -6.131 550 HE2 PHE 69 2HE PHE 69 -4.429 -11.639 -8.834 551 HZ PHE 69 HZ PHE 69 -6.688 -12.581 -8.399 552 H VAL 70 H VAL 70 -5.262 -7.204 -2.453 553 HA VAL 70 HA VAL 70 -3.245 -6.828 -0.398 554 HB VAL 70 HB VAL 70 -4.449 -5.019 -0.678 555 1HG1 VAL 70 1HG1 VAL 70 -6.240 -5.614 -2.057 556 2HG1 VAL 70 2HG1 VAL 70 -6.937 -6.710 -0.831 557 3HG1 VAL 70 3HG1 VAL 70 -6.962 -4.944 -0.586 558 1HG2 VAL 70 1HG2 VAL 70 -4.263 -5.947 1.663 559 2HG2 VAL 70 2HG2 VAL 70 -5.392 -4.605 1.376 560 3HG2 VAL 70 3HG2 VAL 70 -6.017 -6.256 1.593 561 H LYS 71 H LYS 71 -2.642 -8.688 0.811 562 HA LYS 71 HA LYS 71 -4.724 -9.859 2.441 563 1HB LYS 71 2HB LYS 71 -4.378 -12.113 1.775 564 2HB LYS 71 3HB LYS 71 -5.152 -11.113 0.536 565 1HG LYS 71 2HG LYS 71 -2.979 -10.810 -0.551 566 2HG LYS 71 3HG LYS 71 -2.237 -11.873 0.640 567 1HD LYS 71 2HD LYS 71 -3.980 -13.654 -0.019 568 2HD LYS 71 3HD LYS 71 -4.460 -12.590 -1.354 569 1HE LYS 71 2HE LYS 71 -2.139 -12.755 -2.287 570 2HE LYS 71 3HE LYS 71 -1.688 -13.815 -0.935 571 1HZ LYS 71 1HZ LYS 71 -3.714 -14.425 -2.989 572 2HZ LYS 71 2HZ LYS 71 -2.220 -15.093 -2.874 573 3HZ LYS 71 3HZ LYS 71 -3.340 -15.392 -1.713 574 H LYS 72 H LYS 72 -2.902 -8.443 3.681 575 HA LYS 72 HA LYS 72 -1.934 -10.512 5.430 576 1HB LYS 72 2HB LYS 72 0.008 -8.675 4.017 577 2HB LYS 72 3HB LYS 72 0.298 -9.149 5.684 578 1HG LYS 72 2HG LYS 72 0.111 -11.591 4.899 579 2HG LYS 72 3HG LYS 72 0.311 -10.951 3.252 580 1HD LYS 72 2HD LYS 72 2.423 -9.850 3.910 581 2HD LYS 72 3HD LYS 72 2.186 -10.300 5.576 582 1HE LYS 72 2HE LYS 72 2.563 -12.356 3.358 583 2HE LYS 72 3HE LYS 72 3.905 -11.588 4.229 584 1HZ LYS 72 1HZ LYS 72 1.815 -13.154 5.576 585 2HZ LYS 72 2HZ LYS 72 3.353 -13.661 5.247 586 3HZ LYS 72 3HZ LYS 72 3.099 -12.419 6.266 587 H ILE 73 H ILE 73 -1.632 -9.663 7.524 588 HA ILE 73 HA ILE 73 -1.924 -6.760 7.956 589 HB ILE 73 HB ILE 73 -3.540 -8.843 9.505 590 1HG1 ILE 73 2HG1 ILE 73 -5.431 -7.188 8.603 591 2HG1 ILE 73 3HG1 ILE 73 -4.300 -6.930 7.283 592 1HG2 ILE 73 1HG2 ILE 73 -4.476 -6.880 10.655 593 2HG2 ILE 73 2HG2 ILE 73 -2.727 -6.918 10.876 594 3HG2 ILE 73 3HG2 ILE 73 -3.439 -5.799 9.697 595 1HD1 ILE 73 1HD1 ILE 73 -5.520 -9.581 8.219 596 2HD1 ILE 73 2HD1 ILE 73 -5.964 -8.671 6.764 597 3HD1 ILE 73 3HD1 ILE 73 -4.385 -9.456 6.865 598 H GLU 74 H GLU 74 0.356 -7.000 8.093 599 HA GLU 74 HA GLU 74 1.410 -8.479 10.485 600 1HB GLU 74 2HB GLU 74 2.495 -8.088 7.739 601 2HB GLU 74 3HB GLU 74 3.666 -7.909 9.048 602 1HG GLU 74 2HG GLU 74 3.223 -10.111 9.873 603 2HG GLU 74 3HG GLU 74 1.741 -10.256 8.912 604 H GLY 75 H GLY 75 3.605 -7.138 11.155 605 1HA GLY 75 1HA GLY 75 2.581 -4.383 11.830 606 2HA GLY 75 2HA GLY 75 3.320 -5.488 12.987 607 H ARG 76 H ARG 76 5.314 -4.827 13.452 608 HA ARG 76 HA ARG 76 7.095 -3.247 11.832 609 1HB ARG 76 2HB ARG 76 7.310 -5.034 14.275 610 2HB ARG 76 3HB ARG 76 8.778 -4.502 13.477 611 1HG ARG 76 2HG ARG 76 6.691 -2.454 14.279 612 2HG ARG 76 3HG ARG 76 7.811 -3.125 15.478 613 1HD ARG 76 2HD ARG 76 9.745 -2.534 13.987 614 2HD ARG 76 3HD ARG 76 8.651 -1.672 12.917 615 HE ARG 76 HE ARG 76 9.752 -0.858 15.484 616 1HH1 ARG 76 1HH2 ARG 76 6.954 -0.481 13.418 617 2HH1 ARG 76 2HH2 ARG 76 6.277 0.837 14.239 618 1HH2 ARG 76 1HH1 ARG 76 9.238 1.259 16.296 619 2HH2 ARG 76 2HH1 ARG 76 7.877 2.125 15.657 Start of MODEL 24 1 1H GLY 1 1H GLY 1 0.987 -0.128 17.319 2 2H GLY 1 2H GLY 1 2.076 0.524 18.403 3 3H GLY 1 3H GLY 1 0.991 1.482 17.581 4 1HA GLY 1 1HA GLY 1 3.070 1.747 16.508 5 2HA GLY 1 2HA GLY 1 3.201 -0.026 16.381 6 H GLU 2 H GLU 2 3.331 1.384 14.049 7 HA GLU 2 HA GLU 2 0.744 1.474 12.701 8 1HB GLU 2 2HB GLU 2 2.138 1.903 10.732 9 2HB GLU 2 3HB GLU 2 2.487 3.012 12.058 10 1HG GLU 2 2HG GLU 2 4.264 0.585 11.715 11 2HG GLU 2 3HG GLU 2 4.439 1.990 10.661 12 H VAL 3 H VAL 3 0.209 -0.026 10.895 13 HA VAL 3 HA VAL 3 1.290 -2.748 11.283 14 HB VAL 3 HB VAL 3 -0.775 -3.592 10.820 15 1HG1 VAL 3 1HG1 VAL 3 -1.154 -1.421 12.919 16 2HG1 VAL 3 2HG1 VAL 3 -2.007 -2.976 12.816 17 3HG1 VAL 3 3HG1 VAL 3 -0.273 -2.942 13.174 18 1HG2 VAL 3 1HG2 VAL 3 -1.723 -2.182 9.251 19 2HG2 VAL 3 2HG2 VAL 3 -2.824 -2.114 10.640 20 3HG2 VAL 3 3HG2 VAL 3 -1.678 -0.782 10.325 21 H VAL 4 H VAL 4 2.214 -3.658 9.541 22 HA VAL 4 HA VAL 4 2.330 -2.233 7.057 23 HB VAL 4 HB VAL 4 4.219 -3.131 8.479 24 1HG1 VAL 4 1HG1 VAL 4 3.115 -5.342 8.677 25 2HG1 VAL 4 2HG1 VAL 4 3.551 -5.638 6.976 26 3HG1 VAL 4 3HG1 VAL 4 4.839 -5.372 8.193 27 1HG2 VAL 4 1HG2 VAL 4 3.858 -2.909 5.643 28 2HG2 VAL 4 2HG2 VAL 4 5.287 -2.557 6.662 29 3HG2 VAL 4 3HG2 VAL 4 5.048 -4.183 6.005 30 H LEU 5 H LEU 5 1.026 -2.628 5.361 31 HA LEU 5 HA LEU 5 -0.423 -5.232 5.214 32 1HB LEU 5 2HB LEU 5 -1.153 -2.387 4.570 33 2HB LEU 5 3HB LEU 5 -1.744 -3.628 3.471 34 HG LEU 5 HG LEU 5 -3.259 -2.949 5.383 35 1HD1 LEU 5 1HD1 LEU 5 -3.657 -5.596 5.874 36 2HD1 LEU 5 2HD1 LEU 5 -4.197 -4.718 4.455 37 3HD1 LEU 5 3HD1 LEU 5 -2.695 -5.657 4.378 38 1HD2 LEU 5 1HD2 LEU 5 -1.432 -3.063 7.147 39 2HD2 LEU 5 2HD2 LEU 5 -2.931 -3.930 7.575 40 3HD2 LEU 5 3HD2 LEU 5 -1.516 -4.828 7.050 41 H LYS 6 H LYS 6 0.076 -6.545 3.587 42 HA LYS 6 HA LYS 6 2.082 -5.576 1.608 43 1HB LYS 6 2HB LYS 6 2.370 -7.599 3.485 44 2HB LYS 6 3HB LYS 6 1.718 -8.463 2.087 45 1HG LYS 6 2HG LYS 6 3.853 -8.697 1.597 46 2HG LYS 6 3HG LYS 6 3.584 -7.142 0.780 47 1HD LYS 6 2HD LYS 6 4.460 -5.968 2.790 48 2HD LYS 6 3HD LYS 6 4.769 -7.520 3.578 49 1HE LYS 6 2HE LYS 6 6.034 -6.490 0.988 50 2HE LYS 6 3HE LYS 6 6.827 -6.588 2.570 51 1HZ LYS 6 1HZ LYS 6 5.953 -8.800 0.834 52 2HZ LYS 6 2HZ LYS 6 7.475 -8.410 1.217 53 3HZ LYS 6 3HZ LYS 6 6.494 -9.044 2.382 54 H MET 7 H MET 7 1.120 -5.287 -0.322 55 HA MET 7 HA MET 7 -1.330 -6.806 -0.988 56 1HB MET 7 2HB MET 7 -0.613 -4.225 -2.312 57 2HB MET 7 3HB MET 7 -2.184 -4.958 -2.017 58 1HG MET 7 2HG MET 7 -1.927 -4.400 0.428 59 2HG MET 7 3HG MET 7 -0.406 -3.590 0.045 60 1HE MET 7 1HE MET 7 -1.430 -1.817 1.506 61 2HE MET 7 2HE MET 7 -2.499 -0.555 0.858 62 3HE MET 7 3HE MET 7 -3.187 -2.068 1.489 63 H LYS 8 H LYS 8 -1.071 -8.217 -2.665 64 HA LYS 8 HA LYS 8 1.453 -8.179 -4.246 65 1HB LYS 8 2HB LYS 8 -1.046 -9.898 -4.420 66 2HB LYS 8 3HB LYS 8 0.246 -9.920 -5.623 67 1HG LYS 8 2HG LYS 8 0.619 -11.680 -4.164 68 2HG LYS 8 3HG LYS 8 1.882 -10.464 -3.879 69 1HD LYS 8 2HD LYS 8 0.841 -9.720 -1.850 70 2HD LYS 8 3HD LYS 8 -0.616 -10.707 -2.126 71 1HE LYS 8 2HE LYS 8 0.511 -12.715 -1.576 72 2HE LYS 8 3HE LYS 8 2.098 -12.048 -2.002 73 1HZ LYS 8 1HZ LYS 8 0.608 -11.142 0.353 74 2HZ LYS 8 2HZ LYS 8 1.856 -12.243 0.361 75 3HZ LYS 8 3HZ LYS 8 2.114 -10.708 -0.159 76 H VAL 9 H VAL 9 1.665 -7.087 -6.200 77 HA VAL 9 HA VAL 9 -0.803 -5.838 -7.347 78 HB VAL 9 HB VAL 9 0.712 -4.001 -8.070 79 1HG1 VAL 9 1HG1 VAL 9 0.087 -4.316 -5.105 80 2HG1 VAL 9 2HG1 VAL 9 0.573 -2.780 -5.850 81 3HG1 VAL 9 3HG1 VAL 9 -0.914 -3.580 -6.377 82 1HG2 VAL 9 1HG2 VAL 9 2.562 -4.936 -5.855 83 2HG2 VAL 9 2HG2 VAL 9 2.892 -5.077 -7.600 84 3HG2 VAL 9 3HG2 VAL 9 2.741 -3.482 -6.851 85 H GLU 10 H GLU 10 -0.757 -5.699 -9.603 86 HA GLU 10 HA GLU 10 1.228 -7.535 -10.875 87 1HB GLU 10 2HB GLU 10 -1.666 -7.049 -11.620 88 2HB GLU 10 3HB GLU 10 -0.548 -8.121 -12.474 89 1HG GLU 10 2HG GLU 10 -1.279 -8.530 -9.531 90 2HG GLU 10 3HG GLU 10 -2.157 -9.251 -10.875 91 H GLY 11 H GLY 11 2.015 -7.052 -12.903 92 1HA GLY 11 1HA GLY 11 2.310 -5.803 -14.842 93 2HA GLY 11 2HA GLY 11 1.119 -4.622 -14.286 94 H MET 12 H MET 12 2.208 -3.828 -11.841 95 HA MET 12 HA MET 12 4.079 -1.861 -12.544 96 1HB MET 12 2HB MET 12 3.533 -3.106 -9.810 97 2HB MET 12 3HB MET 12 4.528 -1.674 -10.112 98 1HG MET 12 2HG MET 12 2.437 -0.739 -11.362 99 2HG MET 12 3HG MET 12 1.544 -1.959 -10.452 100 1HE MET 12 1HE MET 12 1.119 -1.804 -7.909 101 2HE MET 12 2HE MET 12 0.905 -0.170 -7.247 102 3HE MET 12 3HE MET 12 0.122 -0.614 -8.783 103 H THR 13 H THR 13 5.811 -2.597 -13.704 104 HA THR 13 HA THR 13 7.923 -4.128 -12.238 105 HB THR 13 HB THR 13 8.459 -4.969 -14.614 106 HG1 THR 13 1HG THR 13 5.733 -4.262 -15.017 107 1HG2 THR 13 1HG2 THR 13 5.848 -5.833 -13.307 108 2HG2 THR 13 2HG2 THR 13 6.806 -6.775 -14.465 109 3HG2 THR 13 3HG2 THR 13 7.467 -6.400 -12.863 110 H CYS 14 HN CYS 14 7.389 -1.085 -12.695 111 HA CYS 14 HA CYS 14 10.148 -0.516 -13.498 112 1HB CYS 14 2HB CYS 14 9.590 1.225 -14.993 113 2HB CYS 14 3HB CYS 14 8.673 -0.176 -15.535 114 H HIS 15 H HIS 15 10.715 1.686 -12.772 115 HA HIS 15 HA HIS 15 9.768 2.066 -10.065 116 1HB HIS 15 2HB HIS 15 11.824 3.497 -11.748 117 2HB HIS 15 3HB HIS 15 11.378 4.001 -10.114 118 HD1 HIS 15 1HD HIS 15 12.455 0.562 -11.644 119 HD2 HIS 15 2HD HIS 15 12.830 3.006 -8.236 120 HE1 HIS 15 1HE HIS 15 13.999 -0.663 -10.027 121 H SER 16 H SER 16 8.694 3.207 -13.127 122 HA SER 16 HA SER 16 7.939 5.864 -12.436 123 1HB SER 16 2HB SER 16 8.086 4.623 -14.779 124 2HB SER 16 3HB SER 16 6.373 4.278 -14.487 125 HG SER 16 HG SER 16 6.765 6.270 -15.591 126 H CYS 17 HN CYS 17 5.901 2.883 -12.716 127 HA CYS 17 HA CYS 17 3.565 3.994 -11.620 128 1HB CYS 17 2HB CYS 17 4.425 1.085 -11.343 129 2HB CYS 17 3HB CYS 17 2.796 1.761 -11.359 130 H THR 18 H THR 18 6.149 2.028 -10.032 131 HA THR 18 HA THR 18 4.914 2.008 -7.510 132 HB THR 18 HB THR 18 7.139 1.349 -6.645 133 HG1 THR 18 1HG THR 18 8.817 1.199 -8.190 134 1HG2 THR 18 1HG2 THR 18 6.569 -0.007 -9.331 135 2HG2 THR 18 2HG2 THR 18 7.312 -0.720 -7.888 136 3HG2 THR 18 3HG2 THR 18 5.595 -0.289 -7.880 137 H SER 19 H SER 19 7.495 4.229 -8.745 138 HA SER 19 HA SER 19 7.627 5.862 -6.423 139 1HB SER 19 2HB SER 19 9.235 5.942 -8.329 140 2HB SER 19 3HB SER 19 7.979 6.696 -9.344 141 HG SER 19 HG SER 19 9.408 8.220 -8.356 142 H THR 20 H THR 20 5.433 6.154 -9.308 143 HA THR 20 HA THR 20 4.204 8.576 -8.513 144 HB THR 20 HB THR 20 2.990 6.203 -10.003 145 HG1 THR 20 1HG THR 20 4.762 7.028 -11.059 146 1HG2 THR 20 1HG2 THR 20 2.106 9.117 -9.822 147 2HG2 THR 20 2HG2 THR 20 1.472 7.921 -10.971 148 3HG2 THR 20 3HG2 THR 20 1.196 7.703 -9.236 149 H ILE 21 H ILE 21 3.278 5.160 -7.703 150 HA ILE 21 HA ILE 21 1.100 5.940 -6.001 151 HB ILE 21 HB ILE 21 2.699 3.494 -6.711 152 1HG1 ILE 21 2HG1 ILE 21 -0.174 3.116 -6.524 153 2HG1 ILE 21 3HG1 ILE 21 0.107 4.621 -7.404 154 1HG2 ILE 21 1HG2 ILE 21 1.545 2.076 -5.156 155 2HG2 ILE 21 2HG2 ILE 21 2.621 3.242 -4.378 156 3HG2 ILE 21 3HG2 ILE 21 0.861 3.509 -4.340 157 1HD1 ILE 21 1HD1 ILE 21 1.618 2.103 -8.062 158 2HD1 ILE 21 2HD1 ILE 21 0.039 2.472 -8.758 159 3HD1 ILE 21 3HD1 ILE 21 1.408 3.555 -9.069 160 H GLU 22 H GLU 22 4.581 5.252 -5.354 161 HA GLU 22 HA GLU 22 4.331 5.436 -2.573 162 1HB GLU 22 2HB GLU 22 6.506 5.224 -4.474 163 2HB GLU 22 3HB GLU 22 6.948 6.430 -3.297 164 1HG GLU 22 2HG GLU 22 6.292 4.829 -1.468 165 2HG GLU 22 3HG GLU 22 5.803 3.661 -2.715 166 H GLY 23 H GLY 23 4.977 8.012 -4.938 167 1HA GLY 23 1HA GLY 23 5.015 10.230 -3.213 168 2HA GLY 23 2HA GLY 23 4.433 10.231 -4.888 169 H LYS 24 H LYS 24 2.166 8.758 -4.928 170 HA LYS 24 HA LYS 24 0.402 10.662 -3.740 171 1HB LYS 24 2HB LYS 24 0.120 8.988 -5.871 172 2HB LYS 24 3HB LYS 24 -0.773 8.065 -4.665 173 1HG LYS 24 2HG LYS 24 -2.447 9.453 -5.529 174 2HG LYS 24 3HG LYS 24 -1.942 10.361 -4.110 175 1HD LYS 24 2HD LYS 24 -0.335 11.655 -5.636 176 2HD LYS 24 3HD LYS 24 -1.040 10.781 -7.006 177 1HE LYS 24 2HE LYS 24 -3.290 11.725 -6.427 178 2HE LYS 24 3HE LYS 24 -2.560 12.605 -5.073 179 1HZ LYS 24 1HZ LYS 24 -1.911 12.996 -7.923 180 2HZ LYS 24 2HZ LYS 24 -2.805 14.004 -6.984 181 3HZ LYS 24 3HZ LYS 24 -1.206 13.799 -6.671 182 H ILE 25 H ILE 25 0.812 7.224 -3.028 183 HA ILE 25 HA ILE 25 -1.023 7.204 -0.884 184 HB ILE 25 HB ILE 25 1.135 5.237 -1.506 185 1HG1 ILE 25 2HG1 ILE 25 -0.344 5.454 -3.354 186 2HG1 ILE 25 3HG1 ILE 25 -0.489 3.877 -2.552 187 1HG2 ILE 25 1HG2 ILE 25 -0.134 3.625 -0.164 188 2HG2 ILE 25 2HG2 ILE 25 0.432 4.965 0.841 189 3HG2 ILE 25 3HG2 ILE 25 -1.257 4.893 0.344 190 1HD1 ILE 25 1HD1 ILE 25 -2.363 6.227 -2.291 191 2HD1 ILE 25 2HD1 ILE 25 -2.657 4.733 -3.201 192 3HD1 ILE 25 3HD1 ILE 25 -2.524 4.671 -1.429 193 H GLY 26 H GLY 26 2.495 7.816 -1.032 194 1HA GLY 26 1HA GLY 26 3.182 7.986 1.646 195 2HA GLY 26 2HA GLY 26 3.759 9.066 0.367 196 H LYS 27 H LYS 27 0.929 10.133 -0.166 197 HA LYS 27 HA LYS 27 0.881 12.070 2.055 198 1HB LYS 27 2HB LYS 27 1.476 12.812 -0.173 199 2HB LYS 27 3HB LYS 27 0.009 12.131 -0.862 200 1HG LYS 27 2HG LYS 27 -1.332 13.739 -0.112 201 2HG LYS 27 3HG LYS 27 -0.427 14.040 1.376 202 1HD LYS 27 2HD LYS 27 0.691 14.825 -1.342 203 2HD LYS 27 3HD LYS 27 -0.402 15.898 -0.442 204 1HE LYS 27 2HE LYS 27 1.083 15.964 1.484 205 2HE LYS 27 3HE LYS 27 2.163 14.754 0.780 206 1HZ LYS 27 1HZ LYS 27 1.705 17.446 -0.320 207 2HZ LYS 27 2HZ LYS 27 3.015 16.965 0.550 208 3HZ LYS 27 3HZ LYS 27 2.734 16.310 -0.930 209 H LEU 28 H LEU 28 -0.607 9.172 1.872 210 HA LEU 28 HA LEU 28 -3.380 9.989 2.042 211 1HB LEU 28 2HB LEU 28 -1.915 7.581 3.134 212 2HB LEU 28 3HB LEU 28 -3.639 7.853 3.176 213 HG LEU 28 HG LEU 28 -1.987 6.928 0.962 214 1HD1 LEU 28 1HD1 LEU 28 -3.979 5.654 0.442 215 2HD1 LEU 28 2HD1 LEU 28 -3.606 5.553 2.176 216 3HD1 LEU 28 3HD1 LEU 28 -4.914 6.626 1.602 217 1HD2 LEU 28 1HD2 LEU 28 -2.677 9.066 -0.102 218 2HD2 LEU 28 2HD2 LEU 28 -3.550 7.708 -0.810 219 3HD2 LEU 28 3HD2 LEU 28 -4.368 8.749 0.362 220 H GLN 29 H GLN 29 -4.612 9.698 4.021 221 HA GLN 29 HA GLN 29 -3.390 11.272 6.212 222 1HB GLN 29 2HB GLN 29 -5.769 11.795 6.792 223 2HB GLN 29 3HB GLN 29 -5.145 12.473 5.284 224 1HG GLN 29 2HG GLN 29 -6.288 10.757 3.970 225 2HG GLN 29 3HG GLN 29 -6.921 9.999 5.443 226 1HE2 GLN 29 2HE2 GLN 29 -8.184 11.425 2.986 227 2HE2 GLN 29 1HE2 GLN 29 -9.255 12.597 3.733 228 H GLY 30 H GLY 30 -2.383 9.549 7.290 229 1HA GLY 30 1HA GLY 30 -3.131 8.282 9.433 230 2HA GLY 30 2HA GLY 30 -4.148 7.365 8.363 231 H VAL 31 H VAL 31 -1.382 8.017 6.577 232 HA VAL 31 HA VAL 31 -0.421 5.328 7.072 233 HB VAL 31 HB VAL 31 -0.958 6.431 4.824 234 1HG1 VAL 31 1HG1 VAL 31 1.820 7.651 5.131 235 2HG1 VAL 31 2HG1 VAL 31 0.747 7.759 3.732 236 3HG1 VAL 31 3HG1 VAL 31 0.300 8.564 5.242 237 1HG2 VAL 31 1HG2 VAL 31 0.212 4.271 5.011 238 2HG2 VAL 31 2HG2 VAL 31 0.741 5.215 3.609 239 3HG2 VAL 31 3HG2 VAL 31 1.775 5.122 5.045 240 H GLN 32 H GLN 32 1.899 4.932 7.289 241 HA GLN 32 HA GLN 32 3.363 7.028 8.869 242 1HB GLN 32 2HB GLN 32 2.871 4.090 9.367 243 2HB GLN 32 3HB GLN 32 4.234 4.936 10.095 244 1HG GLN 32 2HG GLN 32 1.733 6.439 10.418 245 2HG GLN 32 3HG GLN 32 1.630 4.836 11.128 246 1HE2 GLN 32 2HE2 GLN 32 1.797 5.405 13.375 247 2HE2 GLN 32 1HE2 GLN 32 3.252 6.155 13.999 248 H ARG 33 H ARG 33 3.637 4.160 6.673 249 HA ARG 33 HA ARG 33 6.003 5.266 5.424 250 1HB ARG 33 2HB ARG 33 6.869 4.207 7.583 251 2HB ARG 33 3HB ARG 33 6.347 2.651 6.964 252 1HG ARG 33 2HG ARG 33 7.976 2.593 5.299 253 2HG ARG 33 3HG ARG 33 8.087 4.359 5.168 254 1HD ARG 33 2HD ARG 33 9.109 2.767 7.541 255 2HD ARG 33 3HD ARG 33 10.088 3.344 6.165 256 HE ARG 33 HE ARG 33 8.558 5.489 7.338 257 1HH1 ARG 33 1HH2 ARG 33 11.426 3.537 7.917 258 2HH1 ARG 33 2HH2 ARG 33 12.298 4.765 8.782 259 1HH2 ARG 33 1HH1 ARG 33 9.645 7.136 8.515 260 2HH2 ARG 33 2HH1 ARG 33 11.240 6.873 9.141 261 H ILE 34 H ILE 34 6.761 3.612 3.733 262 HA ILE 34 HA ILE 34 4.712 1.876 2.764 263 HB ILE 34 HB ILE 34 3.740 3.990 2.175 264 1HG1 ILE 34 2HG1 ILE 34 5.180 2.951 -0.253 265 2HG1 ILE 34 3HG1 ILE 34 3.855 2.083 0.518 266 1HG2 ILE 34 1HG2 ILE 34 4.846 5.742 0.869 267 2HG2 ILE 34 2HG2 ILE 34 5.705 5.488 2.376 268 3HG2 ILE 34 3HG2 ILE 34 6.366 4.819 0.874 269 1HD1 ILE 34 1HD1 ILE 34 3.538 4.880 -0.621 270 2HD1 ILE 34 2HD1 ILE 34 3.015 3.373 -1.397 271 3HD1 ILE 34 3HD1 ILE 34 2.309 3.873 0.150 272 H LYS 35 H LYS 35 5.647 0.471 1.409 273 HA LYS 35 HA LYS 35 8.324 0.868 0.440 274 1HB LYS 35 2HB LYS 35 7.620 -1.169 2.512 275 2HB LYS 35 3HB LYS 35 8.714 -1.652 1.208 276 1HG LYS 35 2HG LYS 35 9.117 0.721 3.059 277 2HG LYS 35 3HG LYS 35 9.750 -0.912 3.321 278 1HD LYS 35 2HD LYS 35 10.851 -0.700 0.966 279 2HD LYS 35 3HD LYS 35 10.383 0.997 1.043 280 1HE LYS 35 2HE LYS 35 12.655 0.907 1.748 281 2HE LYS 35 3HE LYS 35 11.690 1.223 3.197 282 1HZ LYS 35 1HZ LYS 35 12.773 -1.399 2.366 283 2HZ LYS 35 2HZ LYS 35 13.375 -0.452 3.565 284 3HZ LYS 35 3HZ LYS 35 11.890 -1.136 3.728 285 H VAL 36 H VAL 36 7.333 1.125 -1.667 286 HA VAL 36 HA VAL 36 5.673 -1.141 -2.571 287 HB VAL 36 HB VAL 36 6.420 1.446 -3.942 288 1HG1 VAL 36 1HG1 VAL 36 5.930 -0.375 -5.573 289 2HG1 VAL 36 2HG1 VAL 36 4.430 -0.751 -4.715 290 3HG1 VAL 36 3HG1 VAL 36 4.614 0.816 -5.524 291 1HG2 VAL 36 1HG2 VAL 36 4.879 1.555 -1.899 292 2HG2 VAL 36 2HG2 VAL 36 4.169 2.109 -3.411 293 3HG2 VAL 36 3HG2 VAL 36 3.752 0.509 -2.767 294 H SER 37 H SER 37 6.545 -2.954 -3.692 295 HA SER 37 HA SER 37 9.340 -2.676 -4.662 296 1HB SER 37 2HB SER 37 7.869 -5.214 -4.262 297 2HB SER 37 3HB SER 37 9.609 -4.934 -4.302 298 HG SER 37 HG SER 37 8.367 -5.236 -2.160 299 H LEU 38 H LEU 38 9.697 -3.964 -6.658 300 HA LEU 38 HA LEU 38 7.309 -4.132 -8.459 301 1HB LEU 38 2HB LEU 38 8.963 -3.679 -10.305 302 2HB LEU 38 3HB LEU 38 8.316 -2.321 -9.404 303 HG LEU 38 HG LEU 38 10.935 -3.440 -8.439 304 1HD1 LEU 38 1HD1 LEU 38 10.684 -1.740 -10.943 305 2HD1 LEU 38 2HD1 LEU 38 12.189 -2.207 -10.108 306 3HD1 LEU 38 3HD1 LEU 38 11.194 -3.444 -10.886 307 1HD2 LEU 38 1HD2 LEU 38 9.749 -1.487 -7.349 308 2HD2 LEU 38 2HD2 LEU 38 11.366 -1.087 -7.957 309 3HD2 LEU 38 3HD2 LEU 38 9.923 -0.596 -8.871 310 H ASP 39 H ASP 39 10.640 -5.324 -7.756 311 HA ASP 39 HA ASP 39 10.924 -7.289 -9.538 312 1HB ASP 39 2HB ASP 39 11.601 -7.746 -6.585 313 2HB ASP 39 3HB ASP 39 12.492 -8.277 -7.996 314 H ASN 40 H ASN 40 9.504 -7.701 -6.333 315 HA ASN 40 HA ASN 40 8.645 -10.393 -7.033 316 1HB ASN 40 2HB ASN 40 9.860 -9.670 -4.922 317 2HB ASN 40 3HB ASN 40 8.242 -9.226 -4.348 318 1HD2 ASN 40 2HD2 ASN 40 9.950 -11.243 -3.178 319 2HD2 ASN 40 1HD2 ASN 40 9.184 -12.803 -3.441 320 H GLN 41 H GLN 41 7.351 -7.796 -8.045 321 HA GLN 41 HA GLN 41 5.538 -6.559 -8.019 322 1HB GLN 41 2HB GLN 41 5.293 -9.128 -9.249 323 2HB GLN 41 3HB GLN 41 3.695 -8.772 -8.645 324 1HG GLN 41 2HG GLN 41 3.689 -6.681 -9.972 325 2HG GLN 41 3HG GLN 41 5.406 -6.866 -10.305 326 1HE2 GLN 41 2HE2 GLN 41 2.490 -9.201 -10.689 327 2HE2 GLN 41 1HE2 GLN 41 3.024 -9.590 -12.297 328 H GLU 42 H GLU 42 5.722 -6.065 -5.644 329 HA GLU 42 HA GLU 42 3.206 -6.685 -4.320 330 1HB GLU 42 2HB GLU 42 4.732 -8.625 -3.741 331 2HB GLU 42 3HB GLU 42 5.795 -7.471 -2.915 332 1HG GLU 42 2HG GLU 42 3.958 -6.843 -1.409 333 2HG GLU 42 3HG GLU 42 2.827 -7.858 -2.308 334 H ALA 43 H ALA 43 2.629 -5.146 -2.889 335 HA ALA 43 HA ALA 43 4.350 -2.736 -2.712 336 1HB ALA 43 1HB ALA 43 2.512 -2.445 -4.296 337 2HB ALA 43 2HB ALA 43 1.340 -2.969 -3.069 338 3HB ALA 43 3HB ALA 43 2.239 -1.453 -2.851 339 H THR 44 H THR 44 4.924 -2.300 -0.610 340 HA THR 44 HA THR 44 3.270 -3.375 1.621 341 HB THR 44 HB THR 44 5.945 -1.917 1.638 342 HG1 THR 44 1HG THR 44 6.191 -3.760 0.419 343 1HG2 THR 44 1HG2 THR 44 4.528 -3.728 3.615 344 2HG2 THR 44 2HG2 THR 44 6.213 -3.177 3.790 345 3HG2 THR 44 3HG2 THR 44 4.891 -1.991 3.789 346 H ILE 45 H ILE 45 1.799 -1.911 2.579 347 HA ILE 45 HA ILE 45 2.688 0.949 2.626 348 HB ILE 45 HB ILE 45 -0.159 -0.007 2.345 349 1HG1 ILE 45 2HG1 ILE 45 -0.141 1.278 0.224 350 2HG1 ILE 45 3HG1 ILE 45 1.622 1.406 0.317 351 1HG2 ILE 45 1HG2 ILE 45 -0.580 2.477 2.146 352 2HG2 ILE 45 2HG2 ILE 45 0.154 2.080 3.703 353 3HG2 ILE 45 3HG2 ILE 45 1.145 2.770 2.408 354 1HD1 ILE 45 1HD1 ILE 45 0.428 -1.345 0.328 355 2HD1 ILE 45 2HD1 ILE 45 0.327 -0.399 -1.170 356 3HD1 ILE 45 3HD1 ILE 45 1.897 -0.735 -0.464 357 H VAL 46 H VAL 46 2.874 1.705 4.648 358 HA VAL 46 HA VAL 46 1.999 -0.086 6.868 359 HB VAL 46 HB VAL 46 4.157 1.975 7.207 360 1HG1 VAL 46 1HG1 VAL 46 3.182 0.648 9.105 361 2HG1 VAL 46 2HG1 VAL 46 3.791 -0.821 8.336 362 3HG1 VAL 46 3HG1 VAL 46 4.929 0.417 8.886 363 1HG2 VAL 46 1HG2 VAL 46 5.827 0.136 6.633 364 2HG2 VAL 46 2HG2 VAL 46 4.479 -0.690 5.817 365 3HG2 VAL 46 3HG2 VAL 46 5.029 0.883 5.243 366 H TYR 47 H TYR 47 0.344 0.684 8.119 367 HA TYR 47 HA TYR 47 -0.023 3.630 8.276 368 1HB TYR 47 2HB TYR 47 -2.156 3.610 7.338 369 2HB TYR 47 3HB TYR 47 -1.276 2.526 6.279 370 HD1 TYR 47 1HD TYR 47 -1.514 -0.069 6.790 371 HD2 TYR 47 2HD TYR 47 -4.032 2.882 8.638 372 HE1 TYR 47 1HE TYR 47 -3.288 -1.752 7.175 373 HE2 TYR 47 2HE TYR 47 -5.889 1.238 8.740 374 HH TYR 47 HH TYR 47 -5.397 -2.184 7.925 375 H GLN 48 H GLN 48 -2.028 4.195 9.560 376 HA GLN 48 HA GLN 48 -1.779 2.811 12.134 377 1HB GLN 48 2HB GLN 48 -1.270 5.302 11.585 378 2HB GLN 48 3HB GLN 48 -3.014 5.510 11.600 379 1HG GLN 48 2HG GLN 48 -2.312 5.971 13.816 380 2HG GLN 48 3HG GLN 48 -2.982 4.338 13.925 381 1HE2 GLN 48 2HE2 GLN 48 -1.475 2.566 14.416 382 2HE2 GLN 48 1HE2 GLN 48 0.214 2.865 14.703 383 HA PRO 49 HA PRO 49 -5.962 1.383 10.915 384 1HB PRO 49 2HB PRO 49 -6.279 -0.686 12.624 385 2HB PRO 49 3HB PRO 49 -5.123 -0.752 11.265 386 1HG PRO 49 2HG PRO 49 -4.526 -0.053 14.153 387 2HG PRO 49 3HG PRO 49 -3.686 -1.244 13.123 388 1HD PRO 49 2HD PRO 49 -2.777 1.302 13.478 389 2HD PRO 49 3HD PRO 49 -2.584 0.479 11.907 390 H HIS 50 H HIS 50 -6.522 3.503 11.618 391 HA HIS 50 HA HIS 50 -8.728 3.595 13.382 392 1HB HIS 50 2HB HIS 50 -6.063 4.401 14.557 393 2HB HIS 50 3HB HIS 50 -7.382 5.541 14.772 394 HD1 HIS 50 1HD HIS 50 -6.680 4.852 17.405 395 HD2 HIS 50 2HD HIS 50 -9.041 2.230 15.104 396 HE1 HIS 50 1HE HIS 50 -7.936 3.350 19.041 397 H LEU 51 H LEU 51 -6.016 5.513 11.968 398 HA LEU 51 HA LEU 51 -7.695 7.830 11.521 399 1HB LEU 51 2HB LEU 51 -5.053 6.976 10.464 400 2HB LEU 51 3HB LEU 51 -5.760 8.548 10.114 401 HG LEU 51 HG LEU 51 -5.174 7.514 12.949 402 1HD1 LEU 51 1HD1 LEU 51 -3.623 9.579 11.344 403 2HD1 LEU 51 2HD1 LEU 51 -3.315 9.089 13.023 404 3HD1 LEU 51 3HD1 LEU 51 -3.077 7.922 11.718 405 1HD2 LEU 51 1HD2 LEU 51 -6.864 9.097 13.254 406 2HD2 LEU 51 2HD2 LEU 51 -5.420 10.106 13.376 407 3HD2 LEU 51 3HD2 LEU 51 -6.348 10.082 11.867 408 H ILE 52 H ILE 52 -6.458 5.136 9.570 409 HA ILE 52 HA ILE 52 -8.374 5.738 7.405 410 HB ILE 52 HB ILE 52 -5.786 6.573 7.302 411 1HG1 ILE 52 2HG1 ILE 52 -7.595 5.694 5.128 412 2HG1 ILE 52 3HG1 ILE 52 -7.244 7.270 5.807 413 1HG2 ILE 52 1HG2 ILE 52 -4.942 4.258 7.383 414 2HG2 ILE 52 2HG2 ILE 52 -5.649 4.034 5.736 415 3HG2 ILE 52 3HG2 ILE 52 -4.398 5.277 6.050 416 1HD1 ILE 52 1HD1 ILE 52 -5.368 5.752 4.001 417 2HD1 ILE 52 2HD1 ILE 52 -6.226 7.263 3.653 418 3HD1 ILE 52 3HD1 ILE 52 -4.963 7.240 4.900 419 H SER 53 H SER 53 -8.391 3.705 5.870 420 HA SER 53 HA SER 53 -8.207 1.220 7.514 421 1HB SER 53 2HB SER 53 -10.512 0.734 6.647 422 2HB SER 53 3HB SER 53 -10.456 2.157 7.703 423 HG SER 53 HG SER 53 -11.610 2.702 5.851 424 H VAL 54 H VAL 54 -8.209 -0.703 6.272 425 HA VAL 54 HA VAL 54 -6.664 -1.090 4.072 426 HB VAL 54 HB VAL 54 -9.110 -2.550 5.050 427 1HG1 VAL 54 1HG1 VAL 54 -8.453 -4.444 3.542 428 2HG1 VAL 54 2HG1 VAL 54 -9.138 -3.075 2.672 429 3HG1 VAL 54 3HG1 VAL 54 -7.377 -3.335 2.670 430 1HG2 VAL 54 1HG2 VAL 54 -6.980 -2.647 6.354 431 2HG2 VAL 54 2HG2 VAL 54 -7.416 -4.227 5.685 432 3HG2 VAL 54 3HG2 VAL 54 -6.142 -3.268 4.911 433 H GLU 55 H GLU 55 -10.175 -0.316 3.948 434 HA GLU 55 HA GLU 55 -10.373 -0.539 1.147 435 1HB GLU 55 2HB GLU 55 -12.317 -0.486 2.663 436 2HB GLU 55 3HB GLU 55 -12.009 1.244 2.895 437 1HG GLU 55 2HG GLU 55 -13.272 1.619 1.051 438 2HG GLU 55 3HG GLU 55 -12.064 0.745 0.095 439 H GLU 56 H GLU 56 -9.575 2.428 3.124 440 HA GLU 56 HA GLU 56 -9.585 4.201 0.912 441 1HB GLU 56 2HB GLU 56 -8.738 4.260 3.723 442 2HB GLU 56 3HB GLU 56 -7.553 5.076 2.692 443 1HG GLU 56 2HG GLU 56 -10.532 5.685 2.636 444 2HG GLU 56 3HG GLU 56 -9.324 6.604 3.546 445 H MET 57 H MET 57 -6.945 2.249 2.381 446 HA MET 57 HA MET 57 -4.927 2.862 0.580 447 1HB MET 57 2HB MET 57 -5.163 0.031 1.380 448 2HB MET 57 3HB MET 57 -3.811 1.158 1.352 449 1HG MET 57 2HG MET 57 -4.769 2.243 3.445 450 2HG MET 57 3HG MET 57 -5.950 0.926 3.439 451 1HE MET 57 1HE MET 57 -1.560 0.262 4.372 452 2HE MET 57 2HE MET 57 -2.136 0.863 2.798 453 3HE MET 57 3HE MET 57 -2.334 1.866 4.250 454 H LYS 58 H LYS 58 -7.205 0.050 0.228 455 HA LYS 58 HA LYS 58 -6.277 -0.555 -2.419 456 1HB LYS 58 2HB LYS 58 -7.115 -2.258 -1.696 457 2HB LYS 58 3HB LYS 58 -8.439 -1.563 -0.674 458 1HG LYS 58 2HG LYS 58 -8.639 -1.627 -3.722 459 2HG LYS 58 3HG LYS 58 -8.697 -3.117 -2.826 460 1HD LYS 58 2HD LYS 58 -10.604 -2.261 -1.439 461 2HD LYS 58 3HD LYS 58 -10.560 -0.736 -2.308 462 1HE LYS 58 2HE LYS 58 -12.361 -2.278 -3.073 463 2HE LYS 58 3HE LYS 58 -11.282 -1.726 -4.364 464 1HZ LYS 58 1HZ LYS 58 -10.989 -4.342 -3.050 465 2HZ LYS 58 2HZ LYS 58 -11.767 -4.072 -4.491 466 3HZ LYS 58 3HZ LYS 58 -10.183 -3.764 -4.379 467 H LYS 59 H LYS 59 -9.296 1.073 -1.489 468 HA LYS 59 HA LYS 59 -10.315 1.791 -3.920 469 1HB LYS 59 2HB LYS 59 -11.074 2.221 -1.492 470 2HB LYS 59 3HB LYS 59 -10.229 3.757 -1.619 471 1HG LYS 59 2HG LYS 59 -12.434 2.743 -3.486 472 2HG LYS 59 3HG LYS 59 -12.713 3.644 -1.991 473 1HD LYS 59 2HD LYS 59 -11.333 5.550 -2.909 474 2HD LYS 59 3HD LYS 59 -11.163 4.653 -4.426 475 1HE LYS 59 2HE LYS 59 -12.954 6.274 -4.679 476 2HE LYS 59 3HE LYS 59 -13.625 4.638 -4.732 477 1HZ LYS 59 1HZ LYS 59 -13.652 6.414 -2.372 478 2HZ LYS 59 2HZ LYS 59 -14.932 6.123 -3.366 479 3HZ LYS 59 3HZ LYS 59 -14.318 4.912 -2.447 480 H GLN 60 H GLN 60 -7.780 3.623 -2.058 481 HA GLN 60 HA GLN 60 -7.348 5.566 -4.146 482 1HB GLN 60 2HB GLN 60 -5.591 4.509 -1.947 483 2HB GLN 60 3HB GLN 60 -5.084 5.819 -3.012 484 1HG GLN 60 2HG GLN 60 -7.656 6.014 -1.373 485 2HG GLN 60 3HG GLN 60 -6.086 6.554 -0.793 486 1HE2 GLN 60 2HE2 GLN 60 -8.775 7.311 -2.850 487 2HE2 GLN 60 1HE2 GLN 60 -8.142 8.836 -3.458 488 H ILE 61 H ILE 61 -5.712 2.425 -3.469 489 HA ILE 61 HA ILE 61 -3.808 2.725 -5.603 490 HB ILE 61 HB ILE 61 -4.635 0.333 -3.973 491 1HG1 ILE 61 2HG1 ILE 61 -2.218 2.218 -4.000 492 2HG1 ILE 61 3HG1 ILE 61 -3.522 2.338 -2.860 493 1HG2 ILE 61 1HG2 ILE 61 -2.394 0.674 -6.027 494 2HG2 ILE 61 2HG2 ILE 61 -2.558 -0.712 -4.922 495 3HG2 ILE 61 3HG2 ILE 61 -3.765 -0.444 -6.163 496 1HD1 ILE 61 1HD1 ILE 61 -1.614 0.011 -3.078 497 2HD1 ILE 61 2HD1 ILE 61 -1.773 1.192 -1.764 498 3HD1 ILE 61 3HD1 ILE 61 -3.092 0.040 -2.075 499 H GLU 62 H GLU 62 -6.589 0.327 -5.408 500 HA GLU 62 HA GLU 62 -6.625 -0.354 -8.095 501 1HB GLU 62 2HB GLU 62 -8.321 -0.578 -5.688 502 2HB GLU 62 3HB GLU 62 -9.303 -0.129 -7.024 503 1HG GLU 62 2HG GLU 62 -8.547 -2.121 -8.252 504 2HG GLU 62 3HG GLU 62 -7.356 -2.479 -6.992 505 H ALA 63 H ALA 63 -8.009 2.672 -6.590 506 HA ALA 63 HA ALA 63 -9.500 3.462 -8.852 507 1HB ALA 63 1HB ALA 63 -7.961 5.130 -6.844 508 2HB ALA 63 2HB ALA 63 -9.031 5.815 -8.080 509 3HB ALA 63 3HB ALA 63 -9.710 4.747 -6.850 510 H MET 64 H MET 64 -5.940 3.563 -8.391 511 HA MET 64 HA MET 64 -5.349 5.278 -10.599 512 1HB MET 64 2HB MET 64 -3.797 2.909 -9.506 513 2HB MET 64 3HB MET 64 -3.210 4.189 -10.567 514 1HG MET 64 2HG MET 64 -3.981 4.458 -7.650 515 2HG MET 64 3HG MET 64 -2.405 4.619 -8.416 516 1HE MET 64 1HE MET 64 -2.945 6.784 -6.450 517 2HE MET 64 2HE MET 64 -1.580 6.828 -7.600 518 3HE MET 64 3HE MET 64 -2.621 8.253 -7.414 519 H GLY 65 H GLY 65 -5.939 1.771 -10.275 520 1HA GLY 65 1HA GLY 65 -7.253 0.908 -12.265 521 2HA GLY 65 2HA GLY 65 -5.862 1.400 -13.248 522 H PHE 66 H PHE 66 -4.271 0.610 -10.590 523 HA PHE 66 HA PHE 66 -3.410 -1.895 -11.738 524 1HB PHE 66 2HB PHE 66 -2.621 -0.478 -9.199 525 2HB PHE 66 3HB PHE 66 -1.686 -1.759 -10.002 526 HD1 PHE 66 1HD PHE 66 -1.952 1.697 -9.510 527 HD2 PHE 66 2HD PHE 66 -1.133 -1.164 -12.628 528 HE1 PHE 66 1HE PHE 66 -1.021 3.509 -10.932 529 HE2 PHE 66 2HE PHE 66 -0.239 0.664 -14.055 530 HZ PHE 66 HZ PHE 66 -0.306 3.011 -13.243 531 HA PRO 67 HA PRO 67 -6.178 -4.076 -8.805 532 1HB PRO 67 2HB PRO 67 -5.620 -6.663 -9.504 533 2HB PRO 67 3HB PRO 67 -6.666 -5.595 -10.486 534 1HG PRO 67 2HG PRO 67 -3.738 -6.212 -10.898 535 2HG PRO 67 3HG PRO 67 -5.038 -6.211 -12.126 536 1HD PRO 67 2HD PRO 67 -3.335 -4.106 -11.742 537 2HD PRO 67 3HD PRO 67 -5.036 -3.844 -12.236 538 H ALA 68 H ALA 68 -5.674 -4.723 -6.708 539 HA ALA 68 HA ALA 68 -2.936 -5.647 -6.137 540 1HB ALA 68 1HB ALA 68 -2.703 -4.184 -4.275 541 2HB ALA 68 2HB ALA 68 -3.018 -3.181 -5.717 542 3HB ALA 68 3HB ALA 68 -4.313 -3.466 -4.537 543 H PHE 69 H PHE 69 -2.866 -7.173 -4.500 544 HA PHE 69 HA PHE 69 -5.494 -8.013 -3.312 545 1HB PHE 69 2HB PHE 69 -3.084 -9.666 -3.791 546 2HB PHE 69 3HB PHE 69 -4.662 -10.217 -3.268 547 HD1 PHE 69 1HD PHE 69 -2.561 -10.138 -6.076 548 HD2 PHE 69 2HD PHE 69 -6.648 -9.262 -4.977 549 HE1 PHE 69 1HE PHE 69 -3.270 -10.537 -8.398 550 HE2 PHE 69 2HE PHE 69 -7.342 -9.638 -7.321 551 HZ PHE 69 HZ PHE 69 -5.661 -10.302 -9.032 552 H VAL 70 H VAL 70 -5.305 -6.521 -1.663 553 HA VAL 70 HA VAL 70 -3.133 -6.400 0.230 554 HB VAL 70 HB VAL 70 -4.165 -4.435 -0.184 555 1HG1 VAL 70 1HG1 VAL 70 -6.254 -4.991 -1.075 556 2HG1 VAL 70 2HG1 VAL 70 -6.797 -5.735 0.449 557 3HG1 VAL 70 3HG1 VAL 70 -6.537 -3.975 0.342 558 1HG2 VAL 70 1HG2 VAL 70 -4.788 -3.689 2.021 559 2HG2 VAL 70 2HG2 VAL 70 -5.222 -5.330 2.515 560 3HG2 VAL 70 3HG2 VAL 70 -3.519 -4.919 2.182 561 H LYS 71 H LYS 71 -2.710 -8.385 1.245 562 HA LYS 71 HA LYS 71 -4.697 -9.300 3.182 563 1HB LYS 71 2HB LYS 71 -4.710 -11.591 2.321 564 2HB LYS 71 3HB LYS 71 -5.611 -10.379 1.389 565 1HG LYS 71 2HG LYS 71 -3.820 -10.127 -0.152 566 2HG LYS 71 3HG LYS 71 -2.792 -11.243 0.724 567 1HD LYS 71 2HD LYS 71 -5.399 -12.486 0.120 568 2HD LYS 71 3HD LYS 71 -4.803 -11.711 -1.337 569 1HE LYS 71 2HE LYS 71 -3.958 -13.904 -1.502 570 2HE LYS 71 3HE LYS 71 -2.575 -12.937 -0.980 571 1HZ LYS 71 1HZ LYS 71 -4.290 -14.645 0.710 572 2HZ LYS 71 2HZ LYS 71 -2.727 -14.931 0.305 573 3HZ LYS 71 3HZ LYS 71 -3.105 -13.675 1.309 574 H LYS 72 H LYS 72 -2.545 -8.263 4.181 575 HA LYS 72 HA LYS 72 -1.276 -10.474 5.545 576 1HB LYS 72 2HB LYS 72 0.138 -8.836 3.507 577 2HB LYS 72 3HB LYS 72 0.991 -8.922 5.044 578 1HG LYS 72 2HG LYS 72 -0.002 -11.496 3.849 579 2HG LYS 72 3HG LYS 72 1.364 -10.712 3.070 580 1HD LYS 72 2HD LYS 72 1.481 -11.065 6.069 581 2HD LYS 72 3HD LYS 72 1.625 -12.503 5.052 582 1HE LYS 72 2HE LYS 72 3.491 -11.256 3.756 583 2HE LYS 72 3HE LYS 72 3.433 -10.055 5.059 584 1HZ LYS 72 1HZ LYS 72 4.241 -12.895 5.280 585 2HZ LYS 72 2HZ LYS 72 5.053 -11.503 5.731 586 3HZ LYS 72 3HZ LYS 72 3.840 -11.974 6.592 587 H ILE 73 H ILE 73 -0.837 -9.728 7.658 588 HA ILE 73 HA ILE 73 -0.743 -6.799 8.131 589 HB ILE 73 HB ILE 73 -2.451 -8.778 9.733 590 1HG1 ILE 73 2HG1 ILE 73 -4.141 -6.769 9.235 591 2HG1 ILE 73 3HG1 ILE 73 -3.088 -6.494 7.858 592 1HG2 ILE 73 1HG2 ILE 73 -3.013 -6.765 11.125 593 2HG2 ILE 73 2HG2 ILE 73 -1.342 -7.248 11.305 594 3HG2 ILE 73 3HG2 ILE 73 -1.743 -5.862 10.274 595 1HD1 ILE 73 1HD1 ILE 73 -4.626 -9.046 8.547 596 2HD1 ILE 73 2HD1 ILE 73 -5.058 -7.860 7.303 597 3HD1 ILE 73 3HD1 ILE 73 -3.620 -8.863 7.100 598 H GLU 74 H GLU 74 1.555 -7.311 7.995 599 HA GLU 74 HA GLU 74 2.591 -9.289 9.942 600 1HB GLU 74 2HB GLU 74 3.382 -8.952 7.540 601 2HB GLU 74 3HB GLU 74 4.259 -7.547 8.113 602 1HG GLU 74 2HG GLU 74 5.944 -8.840 8.820 603 2HG GLU 74 3HG GLU 74 4.866 -9.742 9.894 604 H GLY 75 H GLY 75 1.363 -7.781 11.524 605 1HA GLY 75 1HA GLY 75 2.298 -5.199 12.213 606 2HA GLY 75 2HA GLY 75 1.421 -6.293 13.297 607 H ARG 76 H ARG 76 3.638 -4.467 13.938 608 HA ARG 76 HA ARG 76 5.911 -6.273 14.567 609 1HB ARG 76 2HB ARG 76 6.103 -3.953 13.322 610 2HB ARG 76 3HB ARG 76 5.841 -3.278 14.941 611 1HG ARG 76 2HG ARG 76 7.791 -4.705 15.734 612 2HG ARG 76 3HG ARG 76 8.050 -5.195 14.056 613 1HD ARG 76 2HD ARG 76 8.392 -2.861 13.376 614 2HD ARG 76 3HD ARG 76 8.072 -2.278 15.004 615 HE ARG 76 HE ARG 76 10.526 -3.400 13.949 616 1HH1 ARG 76 1HH2 ARG 76 8.637 -3.201 16.909 617 2HH1 ARG 76 2HH2 ARG 76 9.992 -3.189 17.993 618 1HH2 ARG 76 1HH1 ARG 76 12.375 -3.454 15.341 619 2HH2 ARG 76 2HH1 ARG 76 12.182 -3.377 17.061 Start of MODEL 25 1 1H GLY 1 1H GLY 1 5.747 -0.644 11.871 2 2H GLY 1 2H GLY 1 7.270 -0.420 12.497 3 3H GLY 1 3H GLY 1 6.252 -1.457 13.183 4 1HA GLY 1 1HA GLY 1 6.195 0.485 14.548 5 2HA GLY 1 2HA GLY 1 6.038 1.503 13.103 6 H GLU 2 H GLU 2 3.989 1.994 12.339 7 HA GLU 2 HA GLU 2 1.544 0.876 13.437 8 1HB GLU 2 2HB GLU 2 1.968 2.335 10.821 9 2HB GLU 2 3HB GLU 2 0.479 2.047 11.739 10 1HG GLU 2 2HG GLU 2 2.750 3.745 12.796 11 2HG GLU 2 3HG GLU 2 1.275 4.340 12.010 12 H VAL 3 H VAL 3 0.094 0.079 11.155 13 HA VAL 3 HA VAL 3 1.135 -2.684 11.300 14 HB VAL 3 HB VAL 3 -1.535 -1.688 10.302 15 1HG1 VAL 3 1HG1 VAL 3 -0.678 -4.455 11.247 16 2HG1 VAL 3 2HG1 VAL 3 -2.298 -3.976 10.695 17 3HG1 VAL 3 3HG1 VAL 3 -0.943 -3.988 9.560 18 1HG2 VAL 3 1HG2 VAL 3 -0.777 -2.766 13.068 19 2HG2 VAL 3 2HG2 VAL 3 -1.228 -1.089 12.723 20 3HG2 VAL 3 3HG2 VAL 3 -2.423 -2.382 12.526 21 H VAL 4 H VAL 4 1.827 -3.809 9.511 22 HA VAL 4 HA VAL 4 2.098 -2.326 7.037 23 HB VAL 4 HB VAL 4 4.106 -2.640 8.078 24 1HG1 VAL 4 1HG1 VAL 4 3.695 -4.435 9.545 25 2HG1 VAL 4 2HG1 VAL 4 3.362 -5.509 8.155 26 3HG1 VAL 4 3HG1 VAL 4 5.021 -4.916 8.457 27 1HG2 VAL 4 1HG2 VAL 4 5.239 -3.619 6.255 28 2HG2 VAL 4 2HG2 VAL 4 3.918 -4.797 5.979 29 3HG2 VAL 4 3HG2 VAL 4 3.666 -3.088 5.576 30 H LEU 5 H LEU 5 0.832 -2.886 5.409 31 HA LEU 5 HA LEU 5 -0.485 -5.581 5.367 32 1HB LEU 5 2HB LEU 5 -1.101 -2.880 4.153 33 2HB LEU 5 3HB LEU 5 -1.900 -4.359 3.613 34 HG LEU 5 HG LEU 5 -3.300 -3.091 5.125 35 1HD1 LEU 5 1HD1 LEU 5 -2.501 -5.613 6.559 36 2HD1 LEU 5 2HD1 LEU 5 -4.079 -4.820 6.528 37 3HD1 LEU 5 3HD1 LEU 5 -3.458 -5.583 5.051 38 1HD2 LEU 5 1HD2 LEU 5 -1.418 -2.124 6.529 39 2HD2 LEU 5 2HD2 LEU 5 -2.806 -2.742 7.464 40 3HD2 LEU 5 3HD2 LEU 5 -1.328 -3.693 7.357 41 H LYS 6 H LYS 6 -0.039 -6.911 3.632 42 HA LYS 6 HA LYS 6 1.913 -5.909 1.612 43 1HB LYS 6 2HB LYS 6 2.241 -7.986 3.481 44 2HB LYS 6 3HB LYS 6 1.725 -8.800 2.003 45 1HG LYS 6 2HG LYS 6 4.012 -8.795 1.790 46 2HG LYS 6 3HG LYS 6 3.527 -7.389 0.820 47 1HD LYS 6 2HD LYS 6 4.125 -5.869 2.614 48 2HD LYS 6 3HD LYS 6 4.428 -7.221 3.735 49 1HE LYS 6 2HE LYS 6 6.295 -8.027 2.390 50 2HE LYS 6 3HE LYS 6 5.946 -6.852 1.110 51 1HZ LYS 6 1HZ LYS 6 6.761 -6.067 3.817 52 2HZ LYS 6 2HZ LYS 6 7.771 -6.192 2.517 53 3HZ LYS 6 3HZ LYS 6 6.550 -5.102 2.480 54 H MET 7 H MET 7 0.880 -5.586 -0.264 55 HA MET 7 HA MET 7 -1.301 -7.430 -1.053 56 1HB MET 7 2HB MET 7 -2.058 -5.428 -2.456 57 2HB MET 7 3HB MET 7 -2.369 -5.382 -0.723 58 1HG MET 7 2HG MET 7 -0.666 -3.924 -0.224 59 2HG MET 7 3HG MET 7 -0.044 -3.997 -1.878 60 1HE MET 7 1HE MET 7 -3.511 -1.465 -0.332 61 2HE MET 7 2HE MET 7 -3.426 -3.196 0.054 62 3HE MET 7 3HE MET 7 -2.146 -2.105 0.612 63 H LYS 8 H LYS 8 -1.060 -8.490 -2.910 64 HA LYS 8 HA LYS 8 1.495 -8.178 -4.326 65 1HB LYS 8 2HB LYS 8 -0.769 -10.145 -4.765 66 2HB LYS 8 3HB LYS 8 0.637 -9.964 -5.811 67 1HG LYS 8 2HG LYS 8 1.296 -11.622 -4.417 68 2HG LYS 8 3HG LYS 8 2.080 -10.190 -3.715 69 1HD LYS 8 2HD LYS 8 0.144 -10.100 -2.025 70 2HD LYS 8 3HD LYS 8 -0.475 -11.534 -2.816 71 1HE LYS 8 2HE LYS 8 0.777 -12.549 -1.063 72 2HE LYS 8 3HE LYS 8 2.063 -12.403 -2.273 73 1HZ LYS 8 1HZ LYS 8 1.626 -10.782 0.122 74 2HZ LYS 8 2HZ LYS 8 3.080 -11.185 -0.587 75 3HZ LYS 8 3HZ LYS 8 2.215 -10.041 -1.202 76 H VAL 9 H VAL 9 1.705 -6.925 -6.214 77 HA VAL 9 HA VAL 9 -0.804 -5.907 -7.483 78 HB VAL 9 HB VAL 9 0.515 -3.949 -8.131 79 1HG1 VAL 9 1HG1 VAL 9 0.419 -2.796 -5.930 80 2HG1 VAL 9 2HG1 VAL 9 -1.008 -3.789 -6.266 81 3HG1 VAL 9 3HG1 VAL 9 0.225 -4.376 -5.132 82 1HG2 VAL 9 1HG2 VAL 9 2.626 -4.951 -6.181 83 2HG2 VAL 9 2HG2 VAL 9 2.780 -4.778 -7.948 84 3HG2 VAL 9 3HG2 VAL 9 2.582 -3.347 -6.936 85 H GLU 10 H GLU 10 -0.846 -6.059 -9.655 86 HA GLU 10 HA GLU 10 1.360 -7.658 -10.935 87 1HB GLU 10 2HB GLU 10 -1.544 -7.386 -11.787 88 2HB GLU 10 3HB GLU 10 -0.297 -8.374 -12.569 89 1HG GLU 10 2HG GLU 10 -1.335 -8.766 -9.724 90 2HG GLU 10 3HG GLU 10 -1.717 -9.766 -11.130 91 H GLY 11 H GLY 11 2.024 -7.098 -13.063 92 1HA GLY 11 1HA GLY 11 2.349 -5.764 -14.909 93 2HA GLY 11 2HA GLY 11 1.017 -4.730 -14.390 94 H MET 12 H MET 12 2.232 -4.066 -11.773 95 HA MET 12 HA MET 12 3.760 -1.787 -12.542 96 1HB MET 12 2HB MET 12 3.343 -3.092 -9.832 97 2HB MET 12 3HB MET 12 4.174 -1.548 -10.153 98 1HG MET 12 2HG MET 12 2.172 -0.540 -11.020 99 2HG MET 12 3HG MET 12 1.317 -2.084 -11.054 100 1HE MET 12 1HE MET 12 3.026 0.501 -8.629 101 2HE MET 12 2HE MET 12 2.344 -0.007 -7.063 102 3HE MET 12 3HE MET 12 3.491 -1.067 -7.908 103 H THR 13 H THR 13 5.334 -2.821 -13.836 104 HA THR 13 HA THR 13 7.751 -3.851 -12.406 105 HB THR 13 HB THR 13 6.970 -4.204 -15.305 106 HG1 THR 13 1HG THR 13 6.424 -5.744 -12.999 107 1HG2 THR 13 1HG2 THR 13 8.936 -5.683 -13.495 108 2HG2 THR 13 2HG2 THR 13 8.543 -6.110 -15.175 109 3HG2 THR 13 3HG2 THR 13 9.373 -4.585 -14.823 110 H CYS 14 HN CYS 14 7.860 -1.328 -11.953 111 HA CYS 14 HA CYS 14 9.900 -0.176 -13.621 112 1HB CYS 14 2HB CYS 14 8.514 1.824 -14.235 113 2HB CYS 14 3HB CYS 14 7.919 0.364 -15.018 114 H HIS 15 H HIS 15 10.392 2.044 -12.616 115 HA HIS 15 HA HIS 15 9.727 2.108 -9.718 116 1HB HIS 15 2HB HIS 15 11.973 3.222 -11.353 117 2HB HIS 15 3HB HIS 15 11.491 4.047 -9.872 118 HD1 HIS 15 1HD HIS 15 11.742 2.741 -7.547 119 HD2 HIS 15 2HD HIS 15 13.175 0.783 -10.988 120 HE1 HIS 15 1HE HIS 15 13.194 0.804 -6.736 121 H SER 16 H SER 16 8.137 3.069 -12.361 122 HA SER 16 HA SER 16 7.831 5.932 -11.705 123 1HB SER 16 2HB SER 16 8.037 5.155 -14.057 124 2HB SER 16 3HB SER 16 6.493 4.295 -13.905 125 HG SER 16 HG SER 16 6.226 6.405 -14.758 126 H CYS 17 HN CYS 17 5.498 3.249 -12.299 127 HA CYS 17 HA CYS 17 3.312 4.427 -11.057 128 1HB CYS 17 2HB CYS 17 3.952 1.464 -11.354 129 2HB CYS 17 3HB CYS 17 2.363 2.186 -11.083 130 H THR 18 H THR 18 5.777 2.192 -9.690 131 HA THR 18 HA THR 18 4.686 1.842 -7.130 132 HB THR 18 HB THR 18 7.047 1.366 -6.470 133 HG1 THR 18 1HG THR 18 8.540 1.511 -8.281 134 1HG2 THR 18 1HG2 THR 18 6.477 0.236 -9.259 135 2HG2 THR 18 2HG2 THR 18 7.413 -0.508 -7.953 136 3HG2 THR 18 3HG2 THR 18 5.662 -0.340 -7.806 137 H SER 19 H SER 19 7.245 4.143 -8.054 138 HA SER 19 HA SER 19 7.278 5.789 -5.786 139 1HB SER 19 2HB SER 19 8.896 5.869 -7.641 140 2HB SER 19 3HB SER 19 7.678 6.629 -8.690 141 HG SER 19 HG SER 19 9.131 8.116 -7.641 142 H THR 20 H THR 20 5.109 6.084 -8.654 143 HA THR 20 HA THR 20 3.834 8.490 -7.858 144 HB THR 20 HB THR 20 2.708 6.170 -9.487 145 HG1 THR 20 1HG THR 20 4.595 7.041 -10.364 146 1HG2 THR 20 1HG2 THR 20 1.847 9.085 -9.316 147 2HG2 THR 20 2HG2 THR 20 1.266 7.899 -10.503 148 3HG2 THR 20 3HG2 THR 20 0.895 7.676 -8.786 149 H ILE 21 H ILE 21 2.921 5.043 -7.186 150 HA ILE 21 HA ILE 21 0.614 5.713 -5.626 151 HB ILE 21 HB ILE 21 2.290 3.302 -6.280 152 1HG1 ILE 21 2HG1 ILE 21 -0.116 2.305 -6.349 153 2HG1 ILE 21 3HG1 ILE 21 -0.658 3.981 -6.237 154 1HG2 ILE 21 1HG2 ILE 21 2.334 3.087 -3.921 155 2HG2 ILE 21 2HG2 ILE 21 0.551 3.249 -3.838 156 3HG2 ILE 21 3HG2 ILE 21 1.311 1.867 -4.681 157 1HD1 ILE 21 1HD1 ILE 21 1.203 2.744 -8.297 158 2HD1 ILE 21 2HD1 ILE 21 -0.480 3.226 -8.560 159 3HD1 ILE 21 3HD1 ILE 21 0.748 4.474 -8.278 160 H GLU 22 H GLU 22 4.026 5.046 -4.825 161 HA GLU 22 HA GLU 22 3.878 5.260 -2.058 162 1HB GLU 22 2HB GLU 22 5.975 5.396 -4.127 163 2HB GLU 22 3HB GLU 22 6.418 6.266 -2.685 164 1HG GLU 22 2HG GLU 22 5.875 4.295 -1.324 165 2HG GLU 22 3HG GLU 22 5.300 3.417 -2.759 166 H GLY 23 H GLY 23 4.455 7.939 -4.366 167 1HA GLY 23 1HA GLY 23 4.385 10.054 -2.510 168 2HA GLY 23 2HA GLY 23 3.931 10.160 -4.219 169 H LYS 24 H LYS 24 1.660 8.678 -4.490 170 HA LYS 24 HA LYS 24 -0.252 10.514 -3.491 171 1HB LYS 24 2HB LYS 24 -0.303 8.797 -5.548 172 2HB LYS 24 3HB LYS 24 -1.004 7.729 -4.362 173 1HG LYS 24 2HG LYS 24 -2.939 8.585 -5.014 174 2HG LYS 24 3HG LYS 24 -2.615 9.891 -3.902 175 1HD LYS 24 2HD LYS 24 -1.751 10.013 -6.852 176 2HD LYS 24 3HD LYS 24 -3.411 10.304 -6.363 177 1HE LYS 24 2HE LYS 24 -2.462 12.406 -6.641 178 2HE LYS 24 3HE LYS 24 -2.686 12.193 -4.902 179 1HZ LYS 24 1HZ LYS 24 -0.118 11.718 -6.293 180 2HZ LYS 24 2HZ LYS 24 -0.538 13.177 -5.667 181 3HZ LYS 24 3HZ LYS 24 -0.357 11.889 -4.679 182 H ILE 25 H ILE 25 0.381 7.201 -2.482 183 HA ILE 25 HA ILE 25 -1.525 7.233 -0.355 184 HB ILE 25 HB ILE 25 0.815 5.431 -0.874 185 1HG1 ILE 25 2HG1 ILE 25 -1.041 5.424 -2.567 186 2HG1 ILE 25 3HG1 ILE 25 -0.626 3.886 -1.805 187 1HG2 ILE 25 1HG2 ILE 25 0.414 5.261 1.476 188 2HG2 ILE 25 2HG2 ILE 25 -1.349 5.243 1.236 189 3HG2 ILE 25 3HG2 ILE 25 -0.364 3.863 0.719 190 1HD1 ILE 25 1HD1 ILE 25 -2.879 5.638 -0.788 191 2HD1 ILE 25 2HD1 ILE 25 -3.092 4.358 -1.987 192 3HD1 ILE 25 3HD1 ILE 25 -2.496 3.955 -0.363 193 H GLY 26 H GLY 26 1.985 7.960 -0.467 194 1HA GLY 26 1HA GLY 26 2.509 8.578 2.180 195 2HA GLY 26 2HA GLY 26 3.160 9.448 0.781 196 H LYS 27 H LYS 27 0.723 10.590 -0.225 197 HA LYS 27 HA LYS 27 0.525 12.891 1.348 198 1HB LYS 27 2HB LYS 27 0.045 12.517 -1.118 199 2HB LYS 27 3HB LYS 27 -1.602 12.054 -0.616 200 1HG LYS 27 2HG LYS 27 -1.636 14.293 0.653 201 2HG LYS 27 3HG LYS 27 -0.125 14.672 -0.192 202 1HD LYS 27 2HD LYS 27 -1.306 14.453 -2.373 203 2HD LYS 27 3HD LYS 27 -2.795 13.987 -1.514 204 1HE LYS 27 2HE LYS 27 -2.735 16.216 -0.312 205 2HE LYS 27 3HE LYS 27 -1.350 16.682 -1.311 206 1HZ LYS 27 1HZ LYS 27 -4.054 16.033 -2.301 207 2HZ LYS 27 2HZ LYS 27 -3.415 17.535 -2.156 208 3HZ LYS 27 3HZ LYS 27 -2.779 16.485 -3.244 209 H LEU 28 H LEU 28 -1.242 9.811 1.768 210 HA LEU 28 HA LEU 28 -3.702 10.926 2.712 211 1HB LEU 28 2HB LEU 28 -2.532 8.246 3.216 212 2HB LEU 28 3HB LEU 28 -4.174 8.784 3.493 213 HG LEU 28 HG LEU 28 -2.862 8.329 0.822 214 1HD1 LEU 28 1HD1 LEU 28 -5.529 7.648 2.072 215 2HD1 LEU 28 2HD1 LEU 28 -4.920 6.977 0.539 216 3HD1 LEU 28 3HD1 LEU 28 -4.123 6.553 2.074 217 1HD2 LEU 28 1HD2 LEU 28 -4.880 9.275 -0.281 218 2HD2 LEU 28 2HD2 LEU 28 -5.378 9.983 1.264 219 3HD2 LEU 28 3HD2 LEU 28 -3.874 10.516 0.464 220 H GLN 29 H GLN 29 -4.216 11.718 4.601 221 HA GLN 29 HA GLN 29 -2.456 11.837 6.798 222 1HB GLN 29 2HB GLN 29 -4.324 12.955 7.949 223 2HB GLN 29 3HB GLN 29 -4.127 13.538 6.293 224 1HG GLN 29 2HG GLN 29 -5.933 11.528 5.869 225 2HG GLN 29 3HG GLN 29 -6.357 11.963 7.520 226 1HE2 GLN 29 2HE2 GLN 29 -7.495 12.442 4.561 227 2HE2 GLN 29 1HE2 GLN 29 -7.970 14.127 4.660 228 H GLY 30 H GLY 30 -1.798 9.753 7.307 229 1HA GLY 30 1HA GLY 30 -2.891 8.349 9.402 230 2HA GLY 30 2HA GLY 30 -3.770 7.702 8.036 231 H VAL 31 H VAL 31 -1.281 8.131 6.275 232 HA VAL 31 HA VAL 31 -0.202 5.517 6.940 233 HB VAL 31 HB VAL 31 0.348 7.554 4.708 234 1HG1 VAL 31 1HG1 VAL 31 1.495 5.742 3.469 235 2HG1 VAL 31 2HG1 VAL 31 2.378 6.198 4.918 236 3HG1 VAL 31 3HG1 VAL 31 1.408 4.703 4.904 237 1HG2 VAL 31 1HG2 VAL 31 -1.112 4.879 4.586 238 2HG2 VAL 31 2HG2 VAL 31 -1.920 6.455 4.701 239 3HG2 VAL 31 3HG2 VAL 31 -0.939 6.078 3.291 240 H GLN 32 H GLN 32 1.998 5.044 7.290 241 HA GLN 32 HA GLN 32 3.612 7.298 8.424 242 1HB GLN 32 2HB GLN 32 3.049 4.503 9.387 243 2HB GLN 32 3HB GLN 32 4.679 5.135 9.615 244 1HG GLN 32 2HG GLN 32 2.255 6.612 10.510 245 2HG GLN 32 3HG GLN 32 3.207 5.551 11.553 246 1HE2 GLN 32 2HE2 GLN 32 2.968 8.783 10.404 247 2HE2 GLN 32 1HE2 GLN 32 4.526 9.312 11.020 248 H ARG 33 H ARG 33 3.824 4.110 6.683 249 HA ARG 33 HA ARG 33 6.134 5.111 5.187 250 1HB ARG 33 2HB ARG 33 6.650 3.669 7.564 251 2HB ARG 33 3HB ARG 33 6.556 2.413 6.340 252 1HG ARG 33 2HG ARG 33 8.769 2.872 6.167 253 2HG ARG 33 3HG ARG 33 8.208 4.065 5.000 254 1HD ARG 33 2HD ARG 33 8.994 4.490 7.921 255 2HD ARG 33 3HD ARG 33 9.845 5.062 6.470 256 HE ARG 33 HE ARG 33 7.082 6.036 6.747 257 1HH1 ARG 33 1HH2 ARG 33 10.388 6.734 7.776 258 2HH1 ARG 33 2HH2 ARG 33 10.074 8.420 8.060 259 1HH2 ARG 33 1HH1 ARG 33 6.637 8.085 7.142 260 2HH2 ARG 33 2HH1 ARG 33 7.839 9.267 7.633 261 H ILE 34 H ILE 34 6.696 3.456 3.486 262 HA ILE 34 HA ILE 34 4.644 1.640 2.728 263 HB ILE 34 HB ILE 34 3.513 3.680 2.216 264 1HG1 ILE 34 2HG1 ILE 34 4.666 2.753 -0.405 265 2HG1 ILE 34 3HG1 ILE 34 3.587 1.760 0.555 266 1HG2 ILE 34 1HG2 ILE 34 6.043 4.649 0.852 267 2HG2 ILE 34 2HG2 ILE 34 4.455 5.427 0.661 268 3HG2 ILE 34 3HG2 ILE 34 5.209 5.355 2.244 269 1HD1 ILE 34 1HD1 ILE 34 2.783 4.513 -0.378 270 2HD1 ILE 34 2HD1 ILE 34 2.350 2.993 -1.189 271 3HD1 ILE 34 3HD1 ILE 34 1.808 3.317 0.469 272 H LYS 35 H LYS 35 5.533 0.273 1.248 273 HA LYS 35 HA LYS 35 8.152 0.762 0.146 274 1HB LYS 35 2HB LYS 35 7.681 -1.162 2.393 275 2HB LYS 35 3HB LYS 35 8.705 -1.697 1.062 276 1HG LYS 35 2HG LYS 35 9.135 0.837 2.695 277 2HG LYS 35 3HG LYS 35 9.883 -0.736 3.018 278 1HD LYS 35 2HD LYS 35 10.797 -0.703 0.645 279 2HD LYS 35 3HD LYS 35 10.227 0.980 0.536 280 1HE LYS 35 2HE LYS 35 11.662 1.634 2.417 281 2HE LYS 35 3HE LYS 35 12.185 -0.045 2.648 282 1HZ LYS 35 1HZ LYS 35 12.695 1.569 0.234 283 2HZ LYS 35 2HZ LYS 35 13.793 1.231 1.413 284 3HZ LYS 35 3HZ LYS 35 13.192 0.019 0.479 285 H VAL 36 H VAL 36 7.150 0.837 -1.854 286 HA VAL 36 HA VAL 36 5.572 -1.527 -2.657 287 HB VAL 36 HB VAL 36 5.873 1.233 -3.833 288 1HG1 VAL 36 1HG1 VAL 36 5.438 -0.381 -5.634 289 2HG1 VAL 36 2HG1 VAL 36 4.109 -1.097 -4.716 290 3HG1 VAL 36 3HG1 VAL 36 3.982 0.575 -5.295 291 1HG2 VAL 36 1HG2 VAL 36 3.489 -0.171 -2.520 292 2HG2 VAL 36 2HG2 VAL 36 4.557 0.941 -1.660 293 3HG2 VAL 36 3HG2 VAL 36 3.599 1.525 -3.020 294 H SER 37 H SER 37 6.714 -3.246 -3.520 295 HA SER 37 HA SER 37 9.268 -2.691 -4.876 296 1HB SER 37 2HB SER 37 8.034 -5.299 -4.169 297 2HB SER 37 3HB SER 37 9.724 -4.979 -4.581 298 HG SER 37 HG SER 37 9.212 -5.200 -2.262 299 H LEU 38 H LEU 38 9.635 -3.650 -6.930 300 HA LEU 38 HA LEU 38 7.202 -4.045 -8.620 301 1HB LEU 38 2HB LEU 38 8.930 -3.673 -10.463 302 2HB LEU 38 3HB LEU 38 8.259 -2.289 -9.611 303 HG LEU 38 HG LEU 38 10.881 -3.428 -8.657 304 1HD1 LEU 38 1HD1 LEU 38 12.082 -1.959 -10.210 305 2HD1 LEU 38 2HD1 LEU 38 11.188 -3.233 -11.059 306 3HD1 LEU 38 3HD1 LEU 38 10.554 -1.575 -11.029 307 1HD2 LEU 38 1HD2 LEU 38 11.307 -1.171 -7.951 308 2HD2 LEU 38 2HD2 LEU 38 9.913 -0.546 -8.848 309 3HD2 LEU 38 3HD2 LEU 38 9.668 -1.529 -7.406 310 H ASP 39 H ASP 39 10.506 -5.244 -7.904 311 HA ASP 39 HA ASP 39 10.780 -7.238 -9.698 312 1HB ASP 39 2HB ASP 39 11.635 -7.653 -6.789 313 2HB ASP 39 3HB ASP 39 12.458 -8.123 -8.256 314 H ASN 40 H ASN 40 9.621 -7.647 -6.390 315 HA ASN 40 HA ASN 40 8.724 -10.341 -7.012 316 1HB ASN 40 2HB ASN 40 10.128 -9.723 -5.030 317 2HB ASN 40 3HB ASN 40 8.634 -9.071 -4.332 318 1HD2 ASN 40 2HD2 ASN 40 9.845 -11.005 -2.884 319 2HD2 ASN 40 1HD2 ASN 40 9.041 -12.554 -3.091 320 H GLN 41 H GLN 41 7.328 -7.765 -7.920 321 HA GLN 41 HA GLN 41 5.539 -6.554 -7.768 322 1HB GLN 41 2HB GLN 41 3.641 -8.671 -8.255 323 2HB GLN 41 3HB GLN 41 4.313 -7.453 -9.357 324 1HG GLN 41 2HG GLN 41 6.263 -8.885 -9.707 325 2HG GLN 41 3HG GLN 41 5.585 -10.037 -8.540 326 1HE2 GLN 41 2HE2 GLN 41 2.896 -10.273 -9.225 327 2HE2 GLN 41 1HE2 GLN 41 2.616 -10.589 -10.880 328 H GLU 42 H GLU 42 6.042 -6.453 -5.388 329 HA GLU 42 HA GLU 42 3.691 -7.287 -3.696 330 1HB GLU 42 2HB GLU 42 5.658 -8.739 -3.336 331 2HB GLU 42 3HB GLU 42 6.614 -7.286 -2.958 332 1HG GLU 42 2HG GLU 42 6.117 -8.188 -0.876 333 2HG GLU 42 3HG GLU 42 4.916 -6.896 -1.044 334 H ALA 43 H ALA 43 2.808 -5.666 -2.709 335 HA ALA 43 HA ALA 43 4.249 -3.063 -2.497 336 1HB ALA 43 1HB ALA 43 2.656 -2.743 -4.144 337 2HB ALA 43 2HB ALA 43 1.417 -3.624 -3.286 338 3HB ALA 43 3HB ALA 43 1.937 -2.031 -2.683 339 H THR 44 H THR 44 4.859 -2.641 -0.509 340 HA THR 44 HA THR 44 3.352 -3.599 1.849 341 HB THR 44 HB THR 44 5.863 -1.862 1.703 342 HG1 THR 44 1HG THR 44 6.436 -3.544 0.533 343 1HG2 THR 44 1HG2 THR 44 4.852 -3.843 3.762 344 2HG2 THR 44 2HG2 THR 44 6.386 -2.949 3.875 345 3HG2 THR 44 3HG2 THR 44 4.857 -2.070 3.926 346 H ILE 45 H ILE 45 1.804 -2.195 2.740 347 HA ILE 45 HA ILE 45 2.535 0.713 2.659 348 HB ILE 45 HB ILE 45 -0.279 -0.407 2.545 349 1HG1 ILE 45 2HG1 ILE 45 -0.374 0.866 0.395 350 2HG1 ILE 45 3HG1 ILE 45 1.390 1.018 0.425 351 1HG2 ILE 45 1HG2 ILE 45 0.908 2.418 2.622 352 2HG2 ILE 45 2HG2 ILE 45 -0.787 2.084 2.265 353 3HG2 ILE 45 3HG2 ILE 45 -0.132 1.676 3.851 354 1HD1 ILE 45 1HD1 ILE 45 0.147 -1.722 0.501 355 2HD1 ILE 45 2HD1 ILE 45 0.167 -0.783 -1.015 356 3HD1 ILE 45 3HD1 ILE 45 1.676 -1.184 -0.236 357 H VAL 46 H VAL 46 2.694 1.637 4.637 358 HA VAL 46 HA VAL 46 1.971 -0.042 6.976 359 HB VAL 46 HB VAL 46 4.283 1.906 6.955 360 1HG1 VAL 46 1HG1 VAL 46 5.029 0.448 8.792 361 2HG1 VAL 46 2HG1 VAL 46 3.417 1.119 9.134 362 3HG1 VAL 46 3HG1 VAL 46 3.587 -0.560 8.575 363 1HG2 VAL 46 1HG2 VAL 46 4.817 0.320 5.165 364 2HG2 VAL 46 2HG2 VAL 46 5.735 -0.111 6.618 365 3HG2 VAL 46 3HG2 VAL 46 4.269 -1.021 6.203 366 H TYR 47 H TYR 47 0.214 0.849 7.975 367 HA TYR 47 HA TYR 47 0.145 3.805 8.264 368 1HB TYR 47 2HB TYR 47 -2.029 4.019 7.346 369 2HB TYR 47 3HB TYR 47 -1.119 3.091 6.159 370 HD1 TYR 47 1HD TYR 47 -1.579 0.659 5.865 371 HD2 TYR 47 2HD TYR 47 -3.843 3.006 8.674 372 HE1 TYR 47 1HE TYR 47 -3.390 -1.015 5.842 373 HE2 TYR 47 2HE TYR 47 -5.569 1.236 8.767 374 HH TYR 47 HH TYR 47 -5.228 -1.816 6.995 375 H GLN 48 H GLN 48 -1.439 4.615 9.636 376 HA GLN 48 HA GLN 48 -1.391 3.208 12.142 377 1HB GLN 48 2HB GLN 48 -0.888 5.610 11.741 378 2HB GLN 48 3HB GLN 48 -2.542 5.897 11.267 379 1HG GLN 48 2HG GLN 48 -3.370 5.220 13.500 380 2HG GLN 48 3HG GLN 48 -1.745 4.718 13.993 381 1HE2 GLN 48 2HE2 GLN 48 -3.348 6.532 15.485 382 2HE2 GLN 48 1HE2 GLN 48 -2.533 8.085 15.445 383 HA PRO 49 HA PRO 49 -5.473 1.602 11.006 384 1HB PRO 49 2HB PRO 49 -5.843 -0.273 12.940 385 2HB PRO 49 3HB PRO 49 -4.544 -0.431 11.726 386 1HG PRO 49 2HG PRO 49 -4.290 0.742 14.520 387 2HG PRO 49 3HG PRO 49 -3.314 -0.570 13.816 388 1HD PRO 49 2HD PRO 49 -2.480 2.016 13.770 389 2HD PRO 49 3HD PRO 49 -2.187 0.961 12.358 390 H HIS 50 H HIS 50 -6.121 3.822 11.490 391 HA HIS 50 HA HIS 50 -8.556 3.854 12.934 392 1HB HIS 50 2HB HIS 50 -6.202 4.930 14.435 393 2HB HIS 50 3HB HIS 50 -7.547 6.052 14.285 394 HD1 HIS 50 1HD HIS 50 -6.915 2.550 15.706 395 HD2 HIS 50 2HD HIS 50 -9.722 5.667 15.726 396 HE1 HIS 50 1HE HIS 50 -8.554 2.046 17.622 397 H LEU 51 H LEU 51 -5.815 5.889 11.780 398 HA LEU 51 HA LEU 51 -7.521 8.081 11.047 399 1HB LEU 51 2HB LEU 51 -4.751 7.352 10.274 400 2HB LEU 51 3HB LEU 51 -5.495 8.894 9.853 401 HG LEU 51 HG LEU 51 -5.152 7.930 12.734 402 1HD1 LEU 51 1HD1 LEU 51 -3.466 9.934 11.171 403 2HD1 LEU 51 2HD1 LEU 51 -3.290 9.526 12.890 404 3HD1 LEU 51 3HD1 LEU 51 -2.957 8.302 11.657 405 1HD2 LEU 51 1HD2 LEU 51 -5.534 10.345 13.268 406 2HD2 LEU 51 2HD2 LEU 51 -5.884 10.652 11.555 407 3HD2 LEU 51 3HD2 LEU 51 -6.950 9.607 12.519 408 H ILE 52 H ILE 52 -6.086 5.366 9.183 409 HA ILE 52 HA ILE 52 -7.904 5.910 6.971 410 HB ILE 52 HB ILE 52 -5.273 6.748 6.940 411 1HG1 ILE 52 2HG1 ILE 52 -5.532 6.418 4.369 412 2HG1 ILE 52 3HG1 ILE 52 -7.193 5.985 4.871 413 1HG2 ILE 52 1HG2 ILE 52 -3.878 5.340 5.658 414 2HG2 ILE 52 2HG2 ILE 52 -4.382 4.505 7.116 415 3HG2 ILE 52 3HG2 ILE 52 -5.118 4.068 5.525 416 1HD1 ILE 52 1HD1 ILE 52 -5.663 8.565 5.488 417 2HD1 ILE 52 2HD1 ILE 52 -6.994 8.412 4.328 418 3HD1 ILE 52 3HD1 ILE 52 -7.303 8.212 6.069 419 H SER 53 H SER 53 -7.776 3.800 5.483 420 HA SER 53 HA SER 53 -7.544 1.382 7.201 421 1HB SER 53 2HB SER 53 -9.888 0.827 6.599 422 2HB SER 53 3HB SER 53 -9.791 2.337 7.523 423 HG SER 53 HG SER 53 -11.095 2.727 5.752 424 H VAL 54 H VAL 54 -7.859 -0.599 5.949 425 HA VAL 54 HA VAL 54 -6.391 -0.941 3.656 426 HB VAL 54 HB VAL 54 -8.843 -2.445 4.590 427 1HG1 VAL 54 1HG1 VAL 54 -8.036 -4.298 3.076 428 2HG1 VAL 54 2HG1 VAL 54 -8.689 -2.909 2.211 429 3HG1 VAL 54 3HG1 VAL 54 -6.928 -3.126 2.327 430 1HG2 VAL 54 1HG2 VAL 54 -6.921 -2.649 6.095 431 2HG2 VAL 54 2HG2 VAL 54 -7.158 -4.170 5.237 432 3HG2 VAL 54 3HG2 VAL 54 -5.858 -3.083 4.726 433 H GLU 55 H GLU 55 -9.861 -0.057 3.789 434 HA GLU 55 HA GLU 55 -10.283 -0.307 1.019 435 1HB GLU 55 2HB GLU 55 -12.146 -0.113 2.550 436 2HB GLU 55 3HB GLU 55 -11.667 1.544 2.905 437 1HG GLU 55 2HG GLU 55 -12.622 2.296 1.056 438 2HG GLU 55 3HG GLU 55 -11.919 1.050 0.005 439 H GLU 56 H GLU 56 -9.339 2.715 2.836 440 HA GLU 56 HA GLU 56 -9.296 4.323 0.538 441 1HB GLU 56 2HB GLU 56 -8.492 4.603 3.337 442 2HB GLU 56 3HB GLU 56 -7.301 5.358 2.270 443 1HG GLU 56 2HG GLU 56 -10.291 5.893 2.047 444 2HG GLU 56 3HG GLU 56 -9.161 6.878 2.982 445 H MET 57 H MET 57 -6.530 2.445 2.087 446 HA MET 57 HA MET 57 -4.638 2.939 0.166 447 1HB MET 57 2HB MET 57 -5.255 0.213 1.174 448 2HB MET 57 3HB MET 57 -3.739 0.904 0.625 449 1HG MET 57 2HG MET 57 -3.958 2.527 2.632 450 2HG MET 57 3HG MET 57 -5.107 1.325 3.257 451 1HE MET 57 1HE MET 57 -3.965 -1.331 2.019 452 2HE MET 57 2HE MET 57 -2.728 -1.883 3.140 453 3HE MET 57 3HE MET 57 -4.302 -1.365 3.760 454 H LYS 58 H LYS 58 -7.100 0.264 -0.095 455 HA LYS 58 HA LYS 58 -6.245 -0.394 -2.756 456 1HB LYS 58 2HB LYS 58 -7.233 -2.093 -1.915 457 2HB LYS 58 3HB LYS 58 -8.545 -1.211 -1.027 458 1HG LYS 58 2HG LYS 58 -9.584 -0.880 -3.391 459 2HG LYS 58 3HG LYS 58 -8.334 -1.978 -3.984 460 1HD LYS 58 2HD LYS 58 -10.411 -2.604 -1.836 461 2HD LYS 58 3HD LYS 58 -10.579 -2.950 -3.570 462 1HE LYS 58 2HE LYS 58 -8.525 -4.371 -3.496 463 2HE LYS 58 3HE LYS 58 -8.440 -4.132 -1.735 464 1HZ LYS 58 1HZ LYS 58 -10.654 -5.373 -3.220 465 2HZ LYS 58 2HZ LYS 58 -9.543 -6.172 -2.310 466 3HZ LYS 58 3HZ LYS 58 -10.620 -5.155 -1.585 467 H LYS 59 H LYS 59 -9.247 1.360 -1.764 468 HA LYS 59 HA LYS 59 -10.272 2.087 -4.126 469 1HB LYS 59 2HB LYS 59 -10.777 2.710 -1.535 470 2HB LYS 59 3HB LYS 59 -9.933 4.180 -1.979 471 1HG LYS 59 2HG LYS 59 -12.177 4.611 -2.257 472 2HG LYS 59 3HG LYS 59 -11.618 4.337 -3.913 473 1HD LYS 59 2HD LYS 59 -12.841 2.399 -4.166 474 2HD LYS 59 3HD LYS 59 -12.595 1.858 -2.510 475 1HE LYS 59 2HE LYS 59 -14.498 4.119 -3.273 476 2HE LYS 59 3HE LYS 59 -14.986 2.424 -3.097 477 1HZ LYS 59 1HZ LYS 59 -13.739 3.939 -0.897 478 2HZ LYS 59 2HZ LYS 59 -15.362 3.730 -1.086 479 3HZ LYS 59 3HZ LYS 59 -14.414 2.448 -0.829 480 H GLN 60 H GLN 60 -7.603 3.886 -2.401 481 HA GLN 60 HA GLN 60 -7.230 5.672 -4.649 482 1HB GLN 60 2HB GLN 60 -5.384 4.856 -2.413 483 2HB GLN 60 3HB GLN 60 -5.049 6.175 -3.544 484 1HG GLN 60 2HG GLN 60 -7.349 6.074 -1.542 485 2HG GLN 60 3HG GLN 60 -5.939 7.125 -1.488 486 1HE2 GLN 60 2HE2 GLN 60 -9.034 7.442 -1.745 487 2HE2 GLN 60 1HE2 GLN 60 -9.196 8.558 -3.117 488 H ILE 61 H ILE 61 -5.550 2.601 -3.771 489 HA ILE 61 HA ILE 61 -3.624 2.832 -5.901 490 HB ILE 61 HB ILE 61 -4.398 0.505 -4.152 491 1HG1 ILE 61 2HG1 ILE 61 -2.041 2.466 -4.288 492 2HG1 ILE 61 3HG1 ILE 61 -3.330 2.521 -3.120 493 1HG2 ILE 61 1HG2 ILE 61 -2.330 -0.573 -5.045 494 2HG2 ILE 61 2HG2 ILE 61 -3.522 -0.364 -6.310 495 3HG2 ILE 61 3HG2 ILE 61 -2.153 0.760 -6.212 496 1HD1 ILE 61 1HD1 ILE 61 -1.255 0.345 -3.347 497 2HD1 ILE 61 2HD1 ILE 61 -1.481 1.521 -2.041 498 3HD1 ILE 61 3HD1 ILE 61 -2.705 0.259 -2.304 499 H GLU 62 H GLU 62 -6.426 0.456 -5.575 500 HA GLU 62 HA GLU 62 -6.352 -0.371 -8.230 501 1HB GLU 62 2HB GLU 62 -8.040 -0.658 -5.851 502 2HB GLU 62 3HB GLU 62 -9.039 -0.335 -7.223 503 1HG GLU 62 2HG GLU 62 -8.000 -2.238 -8.421 504 2HG GLU 62 3HG GLU 62 -6.828 -2.441 -7.110 505 H ALA 63 H ALA 63 -7.816 2.688 -6.900 506 HA ALA 63 HA ALA 63 -9.288 3.316 -9.234 507 1HB ALA 63 1HB ALA 63 -7.800 5.148 -7.332 508 2HB ALA 63 2HB ALA 63 -8.876 5.711 -8.622 509 3HB ALA 63 3HB ALA 63 -9.543 4.728 -7.320 510 H MET 64 H MET 64 -5.731 3.491 -8.721 511 HA MET 64 HA MET 64 -5.119 5.069 -11.016 512 1HB MET 64 2HB MET 64 -3.530 2.794 -9.800 513 2HB MET 64 3HB MET 64 -2.957 4.070 -10.868 514 1HG MET 64 2HG MET 64 -3.899 4.403 -8.007 515 2HG MET 64 3HG MET 64 -2.276 4.563 -8.656 516 1HE MET 64 1HE MET 64 -1.747 6.784 -7.498 517 2HE MET 64 2HE MET 64 -2.893 8.143 -7.505 518 3HE MET 64 3HE MET 64 -3.337 6.617 -6.703 519 H GLY 65 H GLY 65 -5.794 1.609 -10.497 520 1HA GLY 65 1HA GLY 65 -7.004 0.635 -12.500 521 2HA GLY 65 2HA GLY 65 -5.538 1.015 -13.422 522 H PHE 66 H PHE 66 -4.018 0.424 -10.756 523 HA PHE 66 HA PHE 66 -3.177 -2.160 -11.603 524 1HB PHE 66 2HB PHE 66 -2.568 -0.582 -9.102 525 2HB PHE 66 3HB PHE 66 -1.600 -1.936 -9.716 526 HD1 PHE 66 1HD PHE 66 -0.951 -1.550 -12.401 527 HD2 PHE 66 2HD PHE 66 -1.660 1.510 -9.452 528 HE1 PHE 66 1HE PHE 66 0.141 0.130 -13.870 529 HE2 PHE 66 2HE PHE 66 -0.615 3.197 -10.959 530 HZ PHE 66 HZ PHE 66 0.222 2.513 -13.183 531 HA PRO 67 HA PRO 67 -6.204 -4.183 -8.770 532 1HB PRO 67 2HB PRO 67 -5.754 -6.782 -9.453 533 2HB PRO 67 3HB PRO 67 -6.693 -5.671 -10.493 534 1HG PRO 67 2HG PRO 67 -3.766 -6.415 -10.750 535 2HG PRO 67 3HG PRO 67 -5.005 -6.404 -12.039 536 1HD PRO 67 2HD PRO 67 -3.270 -4.343 -11.627 537 2HD PRO 67 3HD PRO 67 -4.944 -4.044 -12.184 538 H ALA 68 H ALA 68 -5.759 -4.972 -6.663 539 HA ALA 68 HA ALA 68 -2.966 -5.806 -6.119 540 1HB ALA 68 1HB ALA 68 -3.173 -3.350 -5.699 541 2HB ALA 68 2HB ALA 68 -4.385 -3.716 -4.449 542 3HB ALA 68 3HB ALA 68 -2.727 -4.359 -4.299 543 H PHE 69 H PHE 69 -2.764 -7.364 -4.601 544 HA PHE 69 HA PHE 69 -5.313 -8.529 -3.512 545 1HB PHE 69 2HB PHE 69 -2.838 -9.608 -4.674 546 2HB PHE 69 3HB PHE 69 -3.618 -10.572 -3.434 547 HD1 PHE 69 1HD PHE 69 -5.260 -12.122 -4.082 548 HD2 PHE 69 2HD PHE 69 -4.409 -8.748 -6.642 549 HE1 PHE 69 1HE PHE 69 -6.746 -13.060 -5.820 550 HE2 PHE 69 2HE PHE 69 -5.952 -9.666 -8.347 551 HZ PHE 69 HZ PHE 69 -7.108 -11.831 -7.949 552 H VAL 70 H VAL 70 -5.043 -6.856 -1.852 553 HA VAL 70 HA VAL 70 -3.126 -6.982 0.272 554 HB VAL 70 HB VAL 70 -4.544 -5.100 -0.247 555 1HG1 VAL 70 1HG1 VAL 70 -6.760 -4.918 0.427 556 2HG1 VAL 70 2HG1 VAL 70 -6.640 -6.441 -0.491 557 3HG1 VAL 70 3HG1 VAL 70 -6.722 -6.470 1.289 558 1HG2 VAL 70 1HG2 VAL 70 -4.661 -6.116 2.625 559 2HG2 VAL 70 2HG2 VAL 70 -3.285 -5.285 1.870 560 3HG2 VAL 70 3HG2 VAL 70 -4.817 -4.429 2.099 561 H LYS 71 H LYS 71 -2.608 -8.957 1.151 562 HA LYS 71 HA LYS 71 -4.653 -10.187 2.822 563 1HB LYS 71 2HB LYS 71 -4.554 -12.333 1.901 564 2HB LYS 71 3HB LYS 71 -5.190 -11.176 0.725 565 1HG LYS 71 2HG LYS 71 -2.697 -11.001 -0.023 566 2HG LYS 71 3HG LYS 71 -2.515 -12.510 0.857 567 1HD LYS 71 2HD LYS 71 -4.720 -13.230 -0.535 568 2HD LYS 71 3HD LYS 71 -4.208 -11.928 -1.596 569 1HE LYS 71 2HE LYS 71 -3.292 -13.911 -2.545 570 2HE LYS 71 3HE LYS 71 -1.926 -13.114 -1.754 571 1HZ LYS 71 1HZ LYS 71 -3.509 -15.363 -0.678 572 2HZ LYS 71 2HZ LYS 71 -1.980 -15.454 -1.265 573 3HZ LYS 71 3HZ LYS 71 -2.281 -14.628 0.127 574 H LYS 72 H LYS 72 -2.720 -8.868 3.923 575 HA LYS 72 HA LYS 72 -1.317 -10.878 5.422 576 1HB LYS 72 2HB LYS 72 0.059 -9.116 3.427 577 2HB LYS 72 3HB LYS 72 0.802 -9.121 5.020 578 1HG LYS 72 2HG LYS 72 0.354 -11.624 3.344 579 2HG LYS 72 3HG LYS 72 1.847 -10.682 3.449 580 1HD LYS 72 2HD LYS 72 1.685 -11.057 6.038 581 2HD LYS 72 3HD LYS 72 0.498 -12.303 5.636 582 1HE LYS 72 2HE LYS 72 2.556 -13.441 5.815 583 2HE LYS 72 3HE LYS 72 2.281 -13.313 4.066 584 1HZ LYS 72 1HZ LYS 72 3.996 -11.667 5.789 585 2HZ LYS 72 2HZ LYS 72 4.551 -12.711 4.660 586 3HZ LYS 72 3HZ LYS 72 3.801 -11.285 4.243 587 H ILE 73 H ILE 73 -0.370 -9.829 7.323 588 HA ILE 73 HA ILE 73 -0.964 -7.048 7.846 589 HB ILE 73 HB ILE 73 -3.159 -8.013 8.113 590 1HG1 ILE 73 2HG1 ILE 73 -2.110 -7.377 10.886 591 2HG1 ILE 73 3HG1 ILE 73 -2.284 -6.178 9.592 592 1HG2 ILE 73 1HG2 ILE 73 -2.208 -9.813 10.366 593 2HG2 ILE 73 2HG2 ILE 73 -3.809 -9.710 9.633 594 3HG2 ILE 73 3HG2 ILE 73 -2.473 -10.378 8.706 595 1HD1 ILE 73 1HD1 ILE 73 -4.543 -7.864 10.736 596 2HD1 ILE 73 2HD1 ILE 73 -4.269 -6.131 10.989 597 3HD1 ILE 73 3HD1 ILE 73 -4.687 -6.735 9.370 598 H GLU 74 H GLU 74 1.379 -7.319 7.838 599 HA GLU 74 HA GLU 74 2.540 -9.023 9.964 600 1HB GLU 74 2HB GLU 74 3.563 -7.683 7.537 601 2HB GLU 74 3HB GLU 74 4.536 -7.305 8.956 602 1HG GLU 74 2HG GLU 74 5.655 -9.108 8.294 603 2HG GLU 74 3HG GLU 74 4.512 -9.918 9.361 604 H GLY 75 H GLY 75 4.170 -7.961 11.436 605 1HA GLY 75 1HA GLY 75 3.807 -5.138 12.081 606 2HA GLY 75 2HA GLY 75 3.276 -6.279 13.337 607 H ARG 76 H ARG 76 5.838 -4.390 12.651 608 HA ARG 76 HA ARG 76 7.615 -5.624 14.349 609 1HB ARG 76 2HB ARG 76 7.985 -6.989 12.090 610 2HB ARG 76 3HB ARG 76 8.742 -5.493 11.528 611 1HG ARG 76 2HG ARG 76 10.307 -5.627 13.495 612 2HG ARG 76 3HG ARG 76 9.511 -7.135 13.990 613 1HD ARG 76 2HD ARG 76 10.161 -8.194 11.847 614 2HD ARG 76 3HD ARG 76 10.933 -6.667 11.342 615 HE ARG 76 HE ARG 76 11.963 -7.568 13.874 616 1HH1 ARG 76 1HH2 ARG 76 12.148 -8.278 10.431 617 2HH1 ARG 76 2HH2 ARG 76 13.781 -8.869 10.458 618 1HH2 ARG 76 1HH1 ARG 76 14.140 -8.377 13.970 619 2HH2 ARG 76 2HH1 ARG 76 14.930 -8.941 12.536 Start of MODEL 26 1 1H GLY 1 1H GLY 1 1.354 -0.860 17.553 2 2H GLY 1 2H GLY 1 1.812 0.362 18.586 3 3H GLY 1 3H GLY 1 0.523 0.543 17.537 4 1HA GLY 1 1HA GLY 1 2.505 1.722 16.791 5 2HA GLY 1 2HA GLY 1 3.226 0.110 16.558 6 H GLU 2 H GLU 2 3.210 1.000 14.233 7 HA GLU 2 HA GLU 2 0.668 1.243 12.869 8 1HB GLU 2 2HB GLU 2 3.553 1.100 11.864 9 2HB GLU 2 3HB GLU 2 2.136 1.653 10.946 10 1HG GLU 2 2HG GLU 2 3.061 3.027 13.543 11 2HG GLU 2 3HG GLU 2 3.561 3.530 11.953 12 H VAL 3 H VAL 3 0.039 -0.149 11.017 13 HA VAL 3 HA VAL 3 0.929 -2.950 11.299 14 HB VAL 3 HB VAL 3 -1.198 -3.619 10.720 15 1HG1 VAL 3 1HG1 VAL 3 -0.622 -3.272 13.108 16 2HG1 VAL 3 2HG1 VAL 3 -1.343 -1.650 13.034 17 3HG1 VAL 3 3HG1 VAL 3 -2.355 -3.089 12.794 18 1HG2 VAL 3 1HG2 VAL 3 -1.739 -0.755 10.272 19 2HG2 VAL 3 2HG2 VAL 3 -2.280 -2.176 9.400 20 3HG2 VAL 3 3HG2 VAL 3 -3.065 -1.738 10.931 21 H VAL 4 H VAL 4 1.782 -3.900 9.532 22 HA VAL 4 HA VAL 4 2.117 -2.362 7.101 23 HB VAL 4 HB VAL 4 4.096 -2.914 7.946 24 1HG1 VAL 4 1HG1 VAL 4 4.767 -5.246 8.536 25 2HG1 VAL 4 2HG1 VAL 4 3.646 -4.409 9.635 26 3HG1 VAL 4 3HG1 VAL 4 3.021 -5.618 8.478 27 1HG2 VAL 4 1HG2 VAL 4 3.499 -5.212 6.042 28 2HG2 VAL 4 2HG2 VAL 4 3.633 -3.525 5.498 29 3HG2 VAL 4 3HG2 VAL 4 5.041 -4.345 6.228 30 H LEU 5 H LEU 5 0.750 -2.744 5.468 31 HA LEU 5 HA LEU 5 -0.799 -5.283 5.379 32 1HB LEU 5 2HB LEU 5 -1.296 -2.474 4.431 33 2HB LEU 5 3HB LEU 5 -2.048 -3.825 3.588 34 HG LEU 5 HG LEU 5 -3.392 -2.731 5.385 35 1HD1 LEU 5 1HD1 LEU 5 -4.171 -4.799 4.580 36 2HD1 LEU 5 2HD1 LEU 5 -2.975 -5.742 5.491 37 3HD1 LEU 5 3HD1 LEU 5 -4.287 -4.895 6.328 38 1HD2 LEU 5 1HD2 LEU 5 -3.062 -3.343 7.701 39 2HD2 LEU 5 2HD2 LEU 5 -1.645 -4.312 7.324 40 3HD2 LEU 5 3HD2 LEU 5 -1.593 -2.542 7.106 41 H LYS 6 H LYS 6 -0.013 -6.746 3.964 42 HA LYS 6 HA LYS 6 1.861 -5.834 1.841 43 1HB LYS 6 2HB LYS 6 2.126 -7.863 3.641 44 2HB LYS 6 3HB LYS 6 1.345 -8.703 2.294 45 1HG LYS 6 2HG LYS 6 3.360 -9.010 1.498 46 2HG LYS 6 3HG LYS 6 3.356 -7.329 0.969 47 1HD LYS 6 2HD LYS 6 4.500 -6.645 3.047 48 2HD LYS 6 3HD LYS 6 4.278 -8.273 3.727 49 1HE LYS 6 2HE LYS 6 5.639 -9.160 1.721 50 2HE LYS 6 3HE LYS 6 6.070 -7.469 1.400 51 1HZ LYS 6 1HZ LYS 6 6.604 -8.953 3.891 52 2HZ LYS 6 2HZ LYS 6 7.687 -8.650 2.689 53 3HZ LYS 6 3HZ LYS 6 7.073 -7.402 3.572 54 H MET 7 H MET 7 0.833 -5.484 -0.074 55 HA MET 7 HA MET 7 -1.432 -7.204 -0.844 56 1HB MET 7 2HB MET 7 -2.074 -5.153 -2.266 57 2HB MET 7 3HB MET 7 -2.443 -5.164 -0.538 58 1HG MET 7 2HG MET 7 -0.707 -3.779 0.062 59 2HG MET 7 3HG MET 7 -0.091 -3.755 -1.603 60 1HE MET 7 1HE MET 7 -3.439 -2.990 0.436 61 2HE MET 7 2HE MET 7 -2.107 -1.971 1.016 62 3HE MET 7 3HE MET 7 -3.479 -1.242 0.149 63 H LYS 8 H LYS 8 -1.126 -8.360 -2.576 64 HA LYS 8 HA LYS 8 1.390 -8.088 -4.133 65 1HB LYS 8 2HB LYS 8 0.705 -10.269 -3.347 66 2HB LYS 8 3HB LYS 8 -0.865 -10.132 -4.134 67 1HG LYS 8 2HG LYS 8 1.774 -10.045 -5.651 68 2HG LYS 8 3HG LYS 8 0.906 -11.543 -5.243 69 1HD LYS 8 2HD LYS 8 -1.153 -10.340 -6.406 70 2HD LYS 8 3HD LYS 8 0.100 -9.382 -7.200 71 1HE LYS 8 2HE LYS 8 -0.077 -12.451 -7.236 72 2HE LYS 8 3HE LYS 8 -0.641 -11.351 -8.494 73 1HZ LYS 8 1HZ LYS 8 2.173 -11.871 -7.798 74 2HZ LYS 8 2HZ LYS 8 1.354 -11.817 -9.282 75 3HZ LYS 8 3HZ LYS 8 1.664 -10.469 -8.539 76 H VAL 9 H VAL 9 1.353 -6.776 -5.945 77 HA VAL 9 HA VAL 9 -1.264 -6.223 -7.226 78 HB VAL 9 HB VAL 9 -0.816 -4.540 -5.461 79 1HG1 VAL 9 1HG1 VAL 9 1.681 -4.407 -5.627 80 2HG1 VAL 9 2HG1 VAL 9 1.505 -3.604 -7.202 81 3HG1 VAL 9 3HG1 VAL 9 0.870 -2.831 -5.756 82 1HG2 VAL 9 1HG2 VAL 9 -1.317 -2.604 -6.868 83 2HG2 VAL 9 2HG2 VAL 9 -0.730 -3.489 -8.296 84 3HG2 VAL 9 3HG2 VAL 9 -2.185 -4.036 -7.442 85 H GLU 10 H GLU 10 -1.178 -6.454 -9.354 86 HA GLU 10 HA GLU 10 1.416 -6.999 -10.569 87 1HB GLU 10 2HB GLU 10 -1.321 -7.076 -11.840 88 2HB GLU 10 3HB GLU 10 0.172 -7.807 -12.456 89 1HG GLU 10 2HG GLU 10 -1.256 -8.598 -9.886 90 2HG GLU 10 3HG GLU 10 -1.332 -9.470 -11.421 91 H GLY 11 H GLY 11 2.184 -6.024 -12.523 92 1HA GLY 11 1HA GLY 11 1.810 -4.622 -14.412 93 2HA GLY 11 2HA GLY 11 0.841 -3.510 -13.447 94 H MET 12 H MET 12 2.545 -3.218 -11.205 95 HA MET 12 HA MET 12 4.390 -1.222 -12.110 96 1HB MET 12 2HB MET 12 3.818 -2.637 -9.501 97 2HB MET 12 3HB MET 12 5.265 -1.631 -9.639 98 1HG MET 12 2HG MET 12 4.129 0.312 -9.970 99 2HG MET 12 3HG MET 12 2.671 -0.445 -10.615 100 1HE MET 12 1HE MET 12 1.230 -2.124 -8.971 101 2HE MET 12 2HE MET 12 0.467 -1.124 -7.699 102 3HE MET 12 3HE MET 12 0.566 -0.525 -9.367 103 H THR 13 H THR 13 6.011 -1.794 -13.485 104 HA THR 13 HA THR 13 8.068 -3.712 -12.559 105 HB THR 13 HB THR 13 6.650 -3.671 -15.234 106 HG1 THR 13 1HG THR 13 6.331 -5.035 -12.864 107 1HG2 THR 13 1HG2 THR 13 8.926 -5.371 -14.171 108 2HG2 THR 13 2HG2 THR 13 7.874 -5.885 -15.514 109 3HG2 THR 13 3HG2 THR 13 8.863 -4.434 -15.688 110 H CYS 14 HN CYS 14 7.697 -0.601 -12.796 111 HA CYS 14 HA CYS 14 10.318 -0.072 -13.922 112 1HB CYS 14 2HB CYS 14 9.256 1.728 -15.442 113 2HB CYS 14 3HB CYS 14 9.206 0.046 -15.969 114 H HIS 15 H HIS 15 11.066 1.987 -13.238 115 HA HIS 15 HA HIS 15 10.019 2.491 -10.606 116 1HB HIS 15 2HB HIS 15 12.510 2.322 -11.574 117 2HB HIS 15 3HB HIS 15 12.349 4.073 -11.630 118 HD1 HIS 15 1HD HIS 15 12.478 1.110 -9.222 119 HD2 HIS 15 2HD HIS 15 12.049 5.297 -9.145 120 HE1 HIS 15 1HE HIS 15 12.674 1.820 -6.781 121 H SER 16 H SER 16 8.122 3.319 -12.328 122 HA SER 16 HA SER 16 8.023 6.298 -11.963 123 1HB SER 16 2HB SER 16 6.955 4.671 -14.320 124 2HB SER 16 3HB SER 16 6.592 6.376 -13.989 125 HG SER 16 HG SER 16 8.362 6.123 -15.429 126 H CYS 17 HN CYS 17 5.854 3.588 -12.847 127 HA CYS 17 HA CYS 17 3.525 4.527 -11.733 128 1HB CYS 17 2HB CYS 17 4.375 1.602 -11.845 129 2HB CYS 17 3HB CYS 17 2.733 2.248 -11.908 130 H THR 18 H THR 18 5.853 2.285 -10.254 131 HA THR 18 HA THR 18 4.695 1.960 -7.734 132 HB THR 18 HB THR 18 6.506 0.603 -8.569 133 HG1 THR 18 1HG THR 18 7.302 1.893 -6.151 134 1HG2 THR 18 1HG2 THR 18 8.516 2.801 -7.983 135 2HG2 THR 18 2HG2 THR 18 8.776 1.218 -8.714 136 3HG2 THR 18 3HG2 THR 18 7.902 2.455 -9.622 137 H SER 19 H SER 19 7.112 4.411 -8.723 138 HA SER 19 HA SER 19 7.336 5.687 -6.171 139 1HB SER 19 2HB SER 19 9.003 5.812 -8.016 140 2HB SER 19 3HB SER 19 7.869 6.773 -8.986 141 HG SER 19 HG SER 19 9.431 8.009 -7.778 142 H THR 20 H THR 20 5.309 6.468 -9.076 143 HA THR 20 HA THR 20 4.077 8.771 -8.030 144 HB THR 20 HB THR 20 2.956 6.639 -9.907 145 HG1 THR 20 1HG THR 20 4.495 8.986 -10.291 146 1HG2 THR 20 1HG2 THR 20 2.130 9.543 -9.451 147 2HG2 THR 20 2HG2 THR 20 1.592 8.524 -10.803 148 3HG2 THR 20 3HG2 THR 20 1.141 8.096 -9.146 149 H ILE 21 H ILE 21 3.024 5.281 -7.732 150 HA ILE 21 HA ILE 21 0.713 5.863 -6.169 151 HB ILE 21 HB ILE 21 2.418 3.499 -6.952 152 1HG1 ILE 21 2HG1 ILE 21 -0.583 3.839 -6.978 153 2HG1 ILE 21 3HG1 ILE 21 0.435 4.623 -8.183 154 1HG2 ILE 21 1HG2 ILE 21 0.334 3.439 -4.790 155 2HG2 ILE 21 2HG2 ILE 21 0.988 2.012 -5.643 156 3HG2 ILE 21 3HG2 ILE 21 2.074 3.010 -4.659 157 1HD1 ILE 21 1HD1 ILE 21 0.233 1.627 -7.737 158 2HD1 ILE 21 2HD1 ILE 21 -0.365 2.578 -9.106 159 3HD1 ILE 21 3HD1 ILE 21 1.378 2.424 -8.848 160 H GLU 22 H GLU 22 4.044 4.957 -5.297 161 HA GLU 22 HA GLU 22 3.839 4.934 -2.539 162 1HB GLU 22 2HB GLU 22 5.982 5.230 -4.557 163 2HB GLU 22 3HB GLU 22 6.440 5.883 -3.024 164 1HG GLU 22 2HG GLU 22 5.761 3.743 -1.922 165 2HG GLU 22 3HG GLU 22 5.165 3.141 -3.479 166 H GLY 23 H GLY 23 4.565 7.781 -4.590 167 1HA GLY 23 1HA GLY 23 4.513 9.762 -2.598 168 2HA GLY 23 2HA GLY 23 4.044 9.987 -4.290 169 H LYS 24 H LYS 24 1.770 8.711 -4.728 170 HA LYS 24 HA LYS 24 -0.048 10.518 -3.617 171 1HB LYS 24 2HB LYS 24 -0.064 8.930 -5.753 172 2HB LYS 24 3HB LYS 24 -1.061 7.889 -4.758 173 1HG LYS 24 2HG LYS 24 -1.762 10.850 -5.049 174 2HG LYS 24 3HG LYS 24 -1.956 9.784 -6.419 175 1HD LYS 24 2HD LYS 24 -4.052 9.912 -5.472 176 2HD LYS 24 3HD LYS 24 -3.479 8.298 -5.103 177 1HE LYS 24 2HE LYS 24 -2.951 10.408 -3.007 178 2HE LYS 24 3HE LYS 24 -4.646 10.092 -3.341 179 1HZ LYS 24 1HZ LYS 24 -2.776 7.941 -2.668 180 2HZ LYS 24 2HZ LYS 24 -3.769 8.684 -1.600 181 3HZ LYS 24 3HZ LYS 24 -4.429 7.875 -2.881 182 H ILE 25 H ILE 25 0.476 7.122 -2.794 183 HA ILE 25 HA ILE 25 -1.620 7.081 -0.765 184 HB ILE 25 HB ILE 25 0.598 5.126 -1.351 185 1HG1 ILE 25 2HG1 ILE 25 -0.957 5.454 -3.249 186 2HG1 ILE 25 3HG1 ILE 25 -0.851 3.824 -2.592 187 1HG2 ILE 25 1HG2 ILE 25 -0.149 4.789 0.938 188 2HG2 ILE 25 2HG2 ILE 25 -1.842 4.877 0.439 189 3HG2 ILE 25 3HG2 ILE 25 -0.831 3.507 -0.076 190 1HD1 ILE 25 1HD1 ILE 25 -3.009 5.793 -1.782 191 2HD1 ILE 25 2HD1 ILE 25 -3.163 4.623 -3.106 192 3HD1 ILE 25 3HD1 ILE 25 -2.920 4.057 -1.431 193 H GLY 26 H GLY 26 1.986 7.284 -0.681 194 1HA GLY 26 1HA GLY 26 2.386 7.351 2.071 195 2HA GLY 26 2HA GLY 26 3.349 8.220 0.865 196 H LYS 27 H LYS 27 1.238 9.983 -0.098 197 HA LYS 27 HA LYS 27 1.480 12.069 1.792 198 1HB LYS 27 2HB LYS 27 1.515 12.408 -0.560 199 2HB LYS 27 3HB LYS 27 -0.081 11.690 -0.788 200 1HG LYS 27 2HG LYS 27 -1.213 13.465 0.093 201 2HG LYS 27 3HG LYS 27 0.167 14.085 1.013 202 1HD LYS 27 2HD LYS 27 0.219 14.042 -2.024 203 2HD LYS 27 3HD LYS 27 -0.585 15.360 -1.149 204 1HE LYS 27 2HE LYS 27 1.454 15.918 0.073 205 2HE LYS 27 3HE LYS 27 2.321 14.545 -0.627 206 1HZ LYS 27 1HZ LYS 27 1.292 16.846 -2.150 207 2HZ LYS 27 2HZ LYS 27 2.855 16.606 -1.703 208 3HZ LYS 27 3HZ LYS 27 2.144 15.577 -2.769 209 H LEU 28 H LEU 28 -0.925 9.464 1.789 210 HA LEU 28 HA LEU 28 -3.097 11.145 2.709 211 1HB LEU 28 2HB LEU 28 -2.693 8.193 2.984 212 2HB LEU 28 3HB LEU 28 -4.148 9.107 3.281 213 HG LEU 28 HG LEU 28 -2.988 8.404 0.610 214 1HD1 LEU 28 1HD1 LEU 28 -5.819 8.791 1.658 215 2HD1 LEU 28 2HD1 LEU 28 -5.366 7.974 0.147 216 3HD1 LEU 28 3HD1 LEU 28 -4.963 7.244 1.711 217 1HD2 LEU 28 1HD2 LEU 28 -4.682 10.899 1.120 218 2HD2 LEU 28 2HD2 LEU 28 -3.082 10.841 0.336 219 3HD2 LEU 28 3HD2 LEU 28 -4.496 10.147 -0.458 220 H GLN 29 H GLN 29 -3.767 11.605 4.693 221 HA GLN 29 HA GLN 29 -1.896 11.457 6.794 222 1HB GLN 29 2HB GLN 29 -3.549 12.719 8.103 223 2HB GLN 29 3HB GLN 29 -3.397 13.350 6.459 224 1HG GLN 29 2HG GLN 29 -5.436 11.704 5.976 225 2HG GLN 29 3HG GLN 29 -5.688 11.833 7.714 226 1HE2 GLN 29 2HE2 GLN 29 -6.281 13.941 8.612 227 2HE2 GLN 29 1HE2 GLN 29 -6.868 15.205 7.544 228 H GLY 30 H GLY 30 -1.379 9.488 7.573 229 1HA GLY 30 1HA GLY 30 -2.628 8.020 9.428 230 2HA GLY 30 2HA GLY 30 -3.514 7.473 8.016 231 H VAL 31 H VAL 31 -0.695 7.945 6.542 232 HA VAL 31 HA VAL 31 0.230 5.235 7.211 233 HB VAL 31 HB VAL 31 0.415 7.079 4.773 234 1HG1 VAL 31 1HG1 VAL 31 1.882 4.443 5.076 235 2HG1 VAL 31 2HG1 VAL 31 1.671 5.333 3.560 236 3HG1 VAL 31 3HG1 VAL 31 2.620 6.051 4.861 237 1HG2 VAL 31 1HG2 VAL 31 -0.658 4.243 5.060 238 2HG2 VAL 31 2HG2 VAL 31 -1.660 5.711 5.066 239 3HG2 VAL 31 3HG2 VAL 31 -0.749 5.268 3.614 240 H GLN 32 H GLN 32 2.291 4.769 7.823 241 HA GLN 32 HA GLN 32 3.983 7.082 8.628 242 1HB GLN 32 2HB GLN 32 5.243 5.546 9.916 243 2HB GLN 32 3HB GLN 32 3.526 5.432 10.317 244 1HG GLN 32 2HG GLN 32 3.408 3.264 9.754 245 2HG GLN 32 3HG GLN 32 4.284 3.469 8.273 246 1HE2 GLN 32 2HE2 GLN 32 5.940 2.012 8.212 247 2HE2 GLN 32 1HE2 GLN 32 7.073 1.782 9.535 248 H ARG 33 H ARG 33 3.897 4.361 6.346 249 HA ARG 33 HA ARG 33 6.082 5.296 4.765 250 1HB ARG 33 2HB ARG 33 6.884 3.872 7.104 251 2HB ARG 33 3HB ARG 33 6.935 2.677 5.805 252 1HG ARG 33 2HG ARG 33 8.341 4.295 4.463 253 2HG ARG 33 3HG ARG 33 8.253 5.421 5.823 254 1HD ARG 33 2HD ARG 33 9.160 3.255 7.189 255 2HD ARG 33 3HD ARG 33 9.685 2.759 5.590 256 HE ARG 33 HE ARG 33 11.389 4.298 5.698 257 1HH1 ARG 33 1HH2 ARG 33 8.863 5.291 7.946 258 2HH1 ARG 33 2HH2 ARG 33 9.841 6.419 8.826 259 1HH2 ARG 33 1HH1 ARG 33 12.720 5.863 6.780 260 2HH2 ARG 33 2HH1 ARG 33 12.081 6.787 8.098 261 H ILE 34 H ILE 34 6.647 3.610 3.095 262 HA ILE 34 HA ILE 34 4.611 1.696 2.559 263 HB ILE 34 HB ILE 34 3.415 3.726 2.010 264 1HG1 ILE 34 2HG1 ILE 34 4.414 2.463 -0.546 265 2HG1 ILE 34 3HG1 ILE 34 3.250 1.717 0.538 266 1HG2 ILE 34 1HG2 ILE 34 5.280 5.308 1.769 267 2HG2 ILE 34 2HG2 ILE 34 5.770 4.533 0.252 268 3HG2 ILE 34 3HG2 ILE 34 4.226 5.392 0.373 269 1HD1 ILE 34 1HD1 ILE 34 2.711 4.369 -0.800 270 2HD1 ILE 34 2HD1 ILE 34 2.108 2.789 -1.333 271 3HD1 ILE 34 3HD1 ILE 34 1.643 3.437 0.254 272 H LYS 35 H LYS 35 5.486 0.275 1.119 273 HA LYS 35 HA LYS 35 7.935 0.841 -0.226 274 1HB LYS 35 2HB LYS 35 7.741 -1.113 2.042 275 2HB LYS 35 3HB LYS 35 8.724 -1.549 0.652 276 1HG LYS 35 2HG LYS 35 9.001 1.009 2.287 277 2HG LYS 35 3HG LYS 35 9.946 -0.458 2.548 278 1HD LYS 35 2HD LYS 35 10.956 -0.343 0.355 279 2HD LYS 35 3HD LYS 35 9.937 1.027 -0.119 280 1HE LYS 35 2HE LYS 35 11.727 1.334 2.273 281 2HE LYS 35 3HE LYS 35 12.380 1.479 0.634 282 1HZ LYS 35 1HZ LYS 35 10.049 3.023 1.571 283 2HZ LYS 35 2HZ LYS 35 11.603 3.600 1.506 284 3HZ LYS 35 3HZ LYS 35 10.814 3.164 0.133 285 H VAL 36 H VAL 36 7.121 0.815 -2.197 286 HA VAL 36 HA VAL 36 5.657 -1.644 -3.006 287 HB VAL 36 HB VAL 36 5.904 1.000 -4.426 288 1HG1 VAL 36 1HG1 VAL 36 5.593 -0.922 -5.995 289 2HG1 VAL 36 2HG1 VAL 36 4.227 -1.489 -5.021 290 3HG1 VAL 36 3HG1 VAL 36 4.131 0.070 -5.865 291 1HG2 VAL 36 1HG2 VAL 36 3.599 -0.289 -2.884 292 2HG2 VAL 36 2HG2 VAL 36 4.509 1.142 -2.382 293 3HG2 VAL 36 3HG2 VAL 36 3.498 1.208 -3.829 294 H SER 37 H SER 37 6.740 -3.222 -3.790 295 HA SER 37 HA SER 37 9.527 -2.880 -4.750 296 1HB SER 37 2HB SER 37 8.059 -5.263 -3.734 297 2HB SER 37 3HB SER 37 9.788 -5.183 -4.118 298 HG SER 37 HG SER 37 9.176 -4.877 -1.827 299 H LEU 38 H LEU 38 9.384 -2.598 -6.962 300 HA LEU 38 HA LEU 38 7.329 -3.761 -8.581 301 1HB LEU 38 2HB LEU 38 8.730 -3.109 -10.504 302 2HB LEU 38 3HB LEU 38 8.196 -1.802 -9.464 303 HG LEU 38 HG LEU 38 10.969 -2.981 -9.211 304 1HD1 LEU 38 1HD1 LEU 38 10.685 -2.312 -11.536 305 2HD1 LEU 38 2HD1 LEU 38 10.091 -0.717 -11.020 306 3HD1 LEU 38 3HD1 LEU 38 11.772 -1.203 -10.690 307 1HD2 LEU 38 1HD2 LEU 38 9.511 -0.878 -7.826 308 2HD2 LEU 38 2HD2 LEU 38 11.176 -1.445 -7.563 309 3HD2 LEU 38 3HD2 LEU 38 10.838 -0.157 -8.728 310 H ASP 39 H ASP 39 10.809 -4.672 -8.087 311 HA ASP 39 HA ASP 39 11.032 -6.744 -9.854 312 1HB ASP 39 2HB ASP 39 12.123 -6.861 -7.004 313 2HB ASP 39 3HB ASP 39 12.816 -7.547 -8.465 314 H ASN 40 H ASN 40 10.033 -6.937 -6.462 315 HA ASN 40 HA ASN 40 9.362 -9.735 -6.688 316 1HB ASN 40 2HB ASN 40 10.449 -8.528 -4.738 317 2HB ASN 40 3HB ASN 40 8.786 -8.136 -4.268 318 1HD2 ASN 40 2HD2 ASN 40 7.317 -10.379 -4.534 319 2HD2 ASN 40 1HD2 ASN 40 8.057 -11.729 -3.680 320 H GLN 41 H GLN 41 7.752 -7.168 -7.894 321 HA GLN 41 HA GLN 41 5.822 -6.187 -7.874 322 1HB GLN 41 2HB GLN 41 6.153 -7.967 -9.592 323 2HB GLN 41 3HB GLN 41 5.021 -8.985 -8.683 324 1HG GLN 41 2HG GLN 41 3.262 -7.612 -9.134 325 2HG GLN 41 3HG GLN 41 4.208 -6.145 -9.365 326 1HE2 GLN 41 2HE2 GLN 41 4.929 -5.532 -11.366 327 2HE2 GLN 41 1HE2 GLN 41 4.712 -6.478 -12.824 328 H GLU 42 H GLU 42 5.958 -5.944 -5.492 329 HA GLU 42 HA GLU 42 3.481 -6.932 -4.187 330 1HB GLU 42 2HB GLU 42 5.882 -8.141 -3.601 331 2HB GLU 42 3HB GLU 42 5.955 -6.765 -2.497 332 1HG GLU 42 2HG GLU 42 3.675 -7.467 -1.622 333 2HG GLU 42 3HG GLU 42 3.758 -8.872 -2.701 334 H ALA 43 H ALA 43 2.668 -5.443 -2.636 335 HA ALA 43 HA ALA 43 4.009 -2.788 -2.497 336 1HB ALA 43 1HB ALA 43 1.192 -3.471 -3.267 337 2HB ALA 43 2HB ALA 43 1.594 -1.910 -2.510 338 3HB ALA 43 3HB ALA 43 2.352 -2.391 -4.029 339 H THR 44 H THR 44 4.589 -2.307 -0.536 340 HA THR 44 HA THR 44 3.209 -3.451 1.841 341 HB THR 44 HB THR 44 5.830 -1.835 1.587 342 HG1 THR 44 1HG THR 44 6.210 -3.491 0.298 343 1HG2 THR 44 1HG2 THR 44 4.931 -3.956 3.594 344 2HG2 THR 44 2HG2 THR 44 6.457 -3.050 3.649 345 3HG2 THR 44 3HG2 THR 44 4.921 -2.199 3.899 346 H ILE 45 H ILE 45 1.656 -2.198 2.698 347 HA ILE 45 HA ILE 45 2.075 0.795 2.620 348 HB ILE 45 HB ILE 45 -0.392 -0.976 2.430 349 1HG1 ILE 45 2HG1 ILE 45 -0.811 0.510 0.448 350 2HG1 ILE 45 3HG1 ILE 45 0.802 1.214 0.678 351 1HG2 ILE 45 1HG2 ILE 45 -0.255 2.036 2.871 352 2HG2 ILE 45 2HG2 ILE 45 -1.695 1.072 2.466 353 3HG2 ILE 45 3HG2 ILE 45 -0.906 0.840 4.022 354 1HD1 ILE 45 1HD1 ILE 45 0.526 -1.739 0.221 355 2HD1 ILE 45 2HD1 ILE 45 0.366 -0.581 -1.123 356 3HD1 ILE 45 3HD1 ILE 45 1.859 -0.628 -0.207 357 H VAL 46 H VAL 46 2.716 1.520 4.645 358 HA VAL 46 HA VAL 46 1.907 -0.210 6.944 359 HB VAL 46 HB VAL 46 4.273 1.656 6.906 360 1HG1 VAL 46 1HG1 VAL 46 3.423 -0.799 8.524 361 2HG1 VAL 46 2HG1 VAL 46 4.983 -0.002 8.692 362 3HG1 VAL 46 3HG1 VAL 46 3.490 0.869 9.111 363 1HG2 VAL 46 1HG2 VAL 46 4.689 0.122 5.065 364 2HG2 VAL 46 2HG2 VAL 46 5.640 -0.396 6.461 365 3HG2 VAL 46 3HG2 VAL 46 4.141 -1.253 6.052 366 H TYR 47 H TYR 47 0.190 0.551 7.994 367 HA TYR 47 HA TYR 47 -0.091 3.499 8.224 368 1HB TYR 47 2HB TYR 47 -2.154 3.549 7.253 369 2HB TYR 47 3HB TYR 47 -1.405 2.306 6.274 370 HD1 TYR 47 1HD TYR 47 -3.983 3.100 8.754 371 HD2 TYR 47 2HD TYR 47 -2.130 -0.101 6.539 372 HE1 TYR 47 1HE TYR 47 -5.957 1.684 9.145 373 HE2 TYR 47 2HE TYR 47 -4.141 -1.519 6.997 374 HH TYR 47 HH TYR 47 -6.805 -0.448 9.076 375 H GLN 48 H GLN 48 -1.826 4.222 9.602 376 HA GLN 48 HA GLN 48 -1.592 2.824 12.157 377 1HB GLN 48 2HB GLN 48 -0.927 5.209 11.752 378 2HB GLN 48 3HB GLN 48 -2.618 5.612 11.558 379 1HG GLN 48 2HG GLN 48 -3.194 4.757 13.799 380 2HG GLN 48 3HG GLN 48 -1.585 4.058 14.002 381 1HE2 GLN 48 2HE2 GLN 48 -2.176 5.332 16.102 382 2HE2 GLN 48 1HE2 GLN 48 -1.501 6.953 16.148 383 HA PRO 49 HA PRO 49 -5.909 1.623 11.283 384 1HB PRO 49 2HB PRO 49 -6.279 -0.284 13.191 385 2HB PRO 49 3HB PRO 49 -5.224 -0.540 11.774 386 1HG PRO 49 2HG PRO 49 -4.384 0.357 14.544 387 2HG PRO 49 3HG PRO 49 -3.705 -0.990 13.585 388 1HD PRO 49 2HD PRO 49 -2.551 1.465 13.620 389 2HD PRO 49 3HD PRO 49 -2.606 0.524 12.105 390 H HIS 50 H HIS 50 -6.306 3.783 11.798 391 HA HIS 50 HA HIS 50 -8.580 4.110 13.362 392 1HB HIS 50 2HB HIS 50 -6.042 4.975 14.767 393 2HB HIS 50 3HB HIS 50 -7.440 6.043 14.846 394 HD1 HIS 50 1HD HIS 50 -6.053 3.504 16.926 395 HD2 HIS 50 2HD HIS 50 -9.891 4.470 15.501 396 HE1 HIS 50 1HE HIS 50 -7.725 2.485 18.569 397 H LEU 51 H LEU 51 -5.701 5.618 11.864 398 HA LEU 51 HA LEU 51 -7.098 8.118 11.371 399 1HB LEU 51 2HB LEU 51 -4.505 7.080 10.379 400 2HB LEU 51 3HB LEU 51 -5.101 8.711 10.065 401 HG LEU 51 HG LEU 51 -4.622 7.564 12.853 402 1HD1 LEU 51 1HD1 LEU 51 -2.991 9.592 11.250 403 2HD1 LEU 51 2HD1 LEU 51 -2.691 9.134 12.936 404 3HD1 LEU 51 3HD1 LEU 51 -2.488 7.937 11.653 405 1HD2 LEU 51 1HD2 LEU 51 -4.792 9.971 13.570 406 2HD2 LEU 51 2HD2 LEU 51 -5.378 10.370 11.943 407 3HD2 LEU 51 3HD2 LEU 51 -6.317 9.298 13.011 408 H ILE 52 H ILE 52 -6.030 5.360 9.305 409 HA ILE 52 HA ILE 52 -7.964 6.156 7.250 410 HB ILE 52 HB ILE 52 -5.301 6.765 7.061 411 1HG1 ILE 52 2HG1 ILE 52 -5.754 6.524 4.504 412 2HG1 ILE 52 3HG1 ILE 52 -7.401 6.166 5.101 413 1HG2 ILE 52 1HG2 ILE 52 -5.411 4.129 5.550 414 2HG2 ILE 52 2HG2 ILE 52 -4.081 5.294 5.678 415 3HG2 ILE 52 3HG2 ILE 52 -4.580 4.411 7.112 416 1HD1 ILE 52 1HD1 ILE 52 -5.678 8.645 5.567 417 2HD1 ILE 52 2HD1 ILE 52 -7.174 8.573 4.626 418 3HD1 ILE 52 3HD1 ILE 52 -7.230 8.380 6.395 419 H SER 53 H SER 53 -7.815 4.053 5.550 420 HA SER 53 HA SER 53 -7.929 1.596 7.219 421 1HB SER 53 2HB SER 53 -10.215 1.175 6.353 422 2HB SER 53 3HB SER 53 -10.142 2.660 7.321 423 HG SER 53 HG SER 53 -11.238 3.105 5.401 424 H VAL 54 H VAL 54 -7.922 -0.343 6.049 425 HA VAL 54 HA VAL 54 -6.345 -0.647 3.804 426 HB VAL 54 HB VAL 54 -8.638 -2.333 4.834 427 1HG1 VAL 54 1HG1 VAL 54 -6.664 -2.929 2.600 428 2HG1 VAL 54 2HG1 VAL 54 -7.603 -4.184 3.440 429 3HG1 VAL 54 3HG1 VAL 54 -8.438 -2.955 2.491 430 1HG2 VAL 54 1HG2 VAL 54 -6.801 -3.790 5.631 431 2HG2 VAL 54 2HG2 VAL 54 -5.614 -2.683 4.921 432 3HG2 VAL 54 3HG2 VAL 54 -6.620 -2.158 6.291 433 H GLU 55 H GLU 55 -9.906 -0.090 3.878 434 HA GLU 55 HA GLU 55 -10.252 -0.531 1.100 435 1HB GLU 55 2HB GLU 55 -12.068 -0.472 2.845 436 2HB GLU 55 3HB GLU 55 -11.924 1.297 2.755 437 1HG GLU 55 2HG GLU 55 -13.632 0.888 1.229 438 2HG GLU 55 3HG GLU 55 -12.227 0.694 0.180 439 H GLU 56 H GLU 56 -9.230 2.448 2.862 440 HA GLU 56 HA GLU 56 -9.563 4.118 0.521 441 1HB GLU 56 2HB GLU 56 -8.719 4.518 3.297 442 2HB GLU 56 3HB GLU 56 -7.536 5.230 2.191 443 1HG GLU 56 2HG GLU 56 -10.528 5.782 2.108 444 2HG GLU 56 3HG GLU 56 -9.295 6.836 2.817 445 H MET 57 H MET 57 -6.789 2.419 2.154 446 HA MET 57 HA MET 57 -4.799 2.963 0.342 447 1HB MET 57 2HB MET 57 -5.289 0.418 1.774 448 2HB MET 57 3HB MET 57 -3.792 0.974 1.057 449 1HG MET 57 2HG MET 57 -5.195 2.380 3.348 450 2HG MET 57 3HG MET 57 -3.872 1.244 3.485 451 1HE MET 57 1HE MET 57 -3.546 5.690 2.580 452 2HE MET 57 2HE MET 57 -4.558 4.778 1.445 453 3HE MET 57 3HE MET 57 -4.983 4.823 3.169 454 H LYS 58 H LYS 58 -6.966 0.042 0.115 455 HA LYS 58 HA LYS 58 -6.033 -0.650 -2.493 456 1HB LYS 58 2HB LYS 58 -7.060 -2.343 -1.657 457 2HB LYS 58 3HB LYS 58 -8.431 -1.444 -0.872 458 1HG LYS 58 2HG LYS 58 -9.175 -1.199 -3.468 459 2HG LYS 58 3HG LYS 58 -8.021 -2.508 -3.703 460 1HD LYS 58 2HD LYS 58 -10.444 -2.446 -1.839 461 2HD LYS 58 3HD LYS 58 -10.400 -3.133 -3.479 462 1HE LYS 58 2HE LYS 58 -8.733 -4.799 -2.806 463 2HE LYS 58 3HE LYS 58 -8.695 -4.134 -1.156 464 1HZ LYS 58 1HZ LYS 58 -11.035 -5.318 -2.478 465 2HZ LYS 58 2HZ LYS 58 -10.149 -6.020 -1.280 466 3HZ LYS 58 3HZ LYS 58 -11.037 -4.660 -0.966 467 H LYS 59 H LYS 59 -9.086 1.120 -1.612 468 HA LYS 59 HA LYS 59 -9.978 1.289 -4.213 469 1HB LYS 59 2HB LYS 59 -11.119 1.923 -2.061 470 2HB LYS 59 3HB LYS 59 -10.379 3.508 -2.189 471 1HG LYS 59 2HG LYS 59 -11.839 2.453 -4.615 472 2HG LYS 59 3HG LYS 59 -12.836 2.755 -3.203 473 1HD LYS 59 2HD LYS 59 -10.986 4.829 -4.475 474 2HD LYS 59 3HD LYS 59 -12.718 4.657 -4.788 475 1HE LYS 59 2HE LYS 59 -12.721 4.757 -2.019 476 2HE LYS 59 3HE LYS 59 -11.301 5.749 -2.362 477 1HZ LYS 59 1HZ LYS 59 -14.023 6.171 -3.408 478 2HZ LYS 59 2HZ LYS 59 -13.277 7.041 -2.227 479 3HZ LYS 59 3HZ LYS 59 -12.716 7.113 -3.771 480 H GLN 60 H GLN 60 -7.825 3.481 -2.459 481 HA GLN 60 HA GLN 60 -7.348 5.380 -4.577 482 1HB GLN 60 2HB GLN 60 -5.651 4.360 -2.319 483 2HB GLN 60 3HB GLN 60 -5.159 5.712 -3.331 484 1HG GLN 60 2HG GLN 60 -7.899 5.813 -1.987 485 2HG GLN 60 3HG GLN 60 -6.448 6.100 -1.034 486 1HE2 GLN 60 2HE2 GLN 60 -7.927 8.145 -0.911 487 2HE2 GLN 60 1HE2 GLN 60 -7.511 9.449 -2.033 488 H ILE 61 H ILE 61 -5.600 2.327 -3.699 489 HA ILE 61 HA ILE 61 -3.671 2.628 -5.823 490 HB ILE 61 HB ILE 61 -4.308 0.285 -4.036 491 1HG1 ILE 61 2HG1 ILE 61 -2.110 2.414 -4.174 492 2HG1 ILE 61 3HG1 ILE 61 -3.416 2.409 -3.033 493 1HG2 ILE 61 1HG2 ILE 61 -2.129 -0.617 -4.909 494 2HG2 ILE 61 2HG2 ILE 61 -3.333 -0.528 -6.178 495 3HG2 ILE 61 3HG2 ILE 61 -2.074 0.718 -6.084 496 1HD1 ILE 61 1HD1 ILE 61 -1.246 0.326 -3.133 497 2HD1 ILE 61 2HD1 ILE 61 -1.506 1.577 -1.906 498 3HD1 ILE 61 3HD1 ILE 61 -2.702 0.281 -2.095 499 H GLU 62 H GLU 62 -6.296 0.072 -5.442 500 HA GLU 62 HA GLU 62 -6.210 -0.867 -8.030 501 1HB GLU 62 2HB GLU 62 -7.909 -1.056 -5.686 502 2HB GLU 62 3HB GLU 62 -8.942 -0.648 -7.025 503 1HG GLU 62 2HG GLU 62 -7.982 -2.588 -8.269 504 2HG GLU 62 3HG GLU 62 -6.930 -2.941 -6.887 505 H ALA 63 H ALA 63 -7.847 2.193 -6.926 506 HA ALA 63 HA ALA 63 -9.244 2.701 -9.313 507 1HB ALA 63 1HB ALA 63 -9.595 4.139 -7.439 508 2HB ALA 63 2HB ALA 63 -7.869 4.611 -7.400 509 3HB ALA 63 3HB ALA 63 -8.922 5.133 -8.731 510 H MET 64 H MET 64 -5.725 3.006 -8.741 511 HA MET 64 HA MET 64 -5.050 4.590 -10.999 512 1HB MET 64 2HB MET 64 -3.544 2.308 -9.710 513 2HB MET 64 3HB MET 64 -2.896 3.502 -10.825 514 1HG MET 64 2HG MET 64 -4.012 4.154 -8.074 515 2HG MET 64 3HG MET 64 -2.326 3.962 -8.516 516 1HE MET 64 1HE MET 64 -2.430 7.755 -7.785 517 2HE MET 64 2HE MET 64 -3.310 6.458 -6.935 518 3HE MET 64 3HE MET 64 -1.614 6.219 -7.433 519 H GLY 65 H GLY 65 -5.772 1.111 -10.574 520 1HA GLY 65 1HA GLY 65 -6.986 0.263 -12.639 521 2HA GLY 65 2HA GLY 65 -5.469 0.577 -13.501 522 H PHE 66 H PHE 66 -4.104 -0.152 -10.791 523 HA PHE 66 HA PHE 66 -3.391 -2.771 -11.728 524 1HB PHE 66 2HB PHE 66 -2.518 -1.152 -9.339 525 2HB PHE 66 3HB PHE 66 -1.627 -2.528 -10.032 526 HD1 PHE 66 1HD PHE 66 -1.165 -2.240 -12.703 527 HD2 PHE 66 2HD PHE 66 -1.768 0.966 -9.894 528 HE1 PHE 66 1HE PHE 66 -0.230 -0.621 -14.343 529 HE2 PHE 66 2HE PHE 66 -0.818 2.580 -11.534 530 HZ PHE 66 HZ PHE 66 -0.138 1.798 -13.776 531 HA PRO 67 HA PRO 67 -6.391 -4.520 -8.748 532 1HB PRO 67 2HB PRO 67 -6.133 -7.184 -9.334 533 2HB PRO 67 3HB PRO 67 -7.043 -6.022 -10.337 534 1HG PRO 67 2HG PRO 67 -4.191 -6.991 -10.727 535 2HG PRO 67 3HG PRO 67 -5.482 -6.898 -11.959 536 1HD PRO 67 2HD PRO 67 -3.579 -4.973 -11.680 537 2HD PRO 67 3HD PRO 67 -5.260 -4.543 -12.123 538 H ALA 68 H ALA 68 -5.960 -4.893 -6.628 539 HA ALA 68 HA ALA 68 -3.241 -5.890 -5.889 540 1HB ALA 68 1HB ALA 68 -4.847 -3.761 -4.462 541 2HB ALA 68 2HB ALA 68 -3.243 -4.424 -4.049 542 3HB ALA 68 3HB ALA 68 -3.457 -3.462 -5.532 543 H PHE 69 H PHE 69 -3.107 -7.421 -4.454 544 HA PHE 69 HA PHE 69 -5.595 -8.496 -3.141 545 1HB PHE 69 2HB PHE 69 -3.112 -9.735 -4.162 546 2HB PHE 69 3HB PHE 69 -4.011 -10.535 -2.882 547 HD1 PHE 69 1HD PHE 69 -6.268 -11.407 -3.204 548 HD2 PHE 69 2HD PHE 69 -4.138 -9.520 -6.448 549 HE1 PHE 69 1HE PHE 69 -7.848 -12.412 -4.823 550 HE2 PHE 69 2HE PHE 69 -5.725 -10.534 -8.066 551 HZ PHE 69 HZ PHE 69 -7.572 -11.990 -7.257 552 H VAL 70 H VAL 70 -5.306 -6.703 -1.633 553 HA VAL 70 HA VAL 70 -3.260 -6.780 0.423 554 HB VAL 70 HB VAL 70 -4.589 -4.812 -0.158 555 1HG1 VAL 70 1HG1 VAL 70 -6.779 -6.046 -0.197 556 2HG1 VAL 70 2HG1 VAL 70 -6.733 -5.983 1.583 557 3HG1 VAL 70 3HG1 VAL 70 -6.748 -4.475 0.643 558 1HG2 VAL 70 1HG2 VAL 70 -4.569 -5.816 2.713 559 2HG2 VAL 70 2HG2 VAL 70 -3.212 -5.019 1.892 560 3HG2 VAL 70 3HG2 VAL 70 -4.692 -4.107 2.236 561 H LYS 71 H LYS 71 -2.903 -8.664 1.545 562 HA LYS 71 HA LYS 71 -5.118 -9.651 3.172 563 1HB LYS 71 2HB LYS 71 -4.926 -11.937 2.421 564 2HB LYS 71 3HB LYS 71 -5.605 -10.847 1.200 565 1HG LYS 71 2HG LYS 71 -3.360 -10.634 0.191 566 2HG LYS 71 3HG LYS 71 -2.739 -11.784 1.356 567 1HD LYS 71 2HD LYS 71 -4.619 -13.405 0.467 568 2HD LYS 71 3HD LYS 71 -4.854 -12.219 -0.817 569 1HE LYS 71 2HE LYS 71 -3.430 -13.930 -1.708 570 2HE LYS 71 3HE LYS 71 -2.422 -12.496 -1.464 571 1HZ LYS 71 1HZ LYS 71 -2.594 -14.820 0.354 572 2HZ LYS 71 2HZ LYS 71 -1.358 -14.504 -0.683 573 3HZ LYS 71 3HZ LYS 71 -1.639 -13.502 0.590 574 H LYS 72 H LYS 72 -3.025 -8.336 4.213 575 HA LYS 72 HA LYS 72 -1.723 -10.431 5.753 576 1HB LYS 72 2HB LYS 72 -0.453 -9.520 3.361 577 2HB LYS 72 3HB LYS 72 0.458 -8.803 4.690 578 1HG LYS 72 2HG LYS 72 -0.254 -11.735 4.476 579 2HG LYS 72 3HG LYS 72 1.293 -11.035 3.971 580 1HD LYS 72 2HD LYS 72 2.014 -10.594 6.113 581 2HD LYS 72 3HD LYS 72 0.419 -10.286 6.746 582 1HE LYS 72 2HE LYS 72 0.864 -12.226 7.838 583 2HE LYS 72 3HE LYS 72 -0.035 -12.855 6.454 584 1HZ LYS 72 1HZ LYS 72 2.866 -12.716 6.881 585 2HZ LYS 72 2HZ LYS 72 1.978 -14.097 6.866 586 3HZ LYS 72 3HZ LYS 72 2.218 -13.261 5.454 587 H ILE 73 H ILE 73 -2.950 -9.364 7.361 588 HA ILE 73 HA ILE 73 -2.382 -6.591 8.009 589 HB ILE 73 HB ILE 73 -4.580 -7.706 8.258 590 1HG1 ILE 73 2HG1 ILE 73 -4.978 -7.042 10.777 591 2HG1 ILE 73 3HG1 ILE 73 -3.352 -6.358 10.658 592 1HG2 ILE 73 1HG2 ILE 73 -3.595 -9.230 10.682 593 2HG2 ILE 73 2HG2 ILE 73 -5.166 -9.277 9.890 594 3HG2 ILE 73 3HG2 ILE 73 -3.759 -9.957 9.075 595 1HD1 ILE 73 1HD1 ILE 73 -5.744 -5.731 8.862 596 2HD1 ILE 73 2HD1 ILE 73 -5.063 -4.680 10.121 597 3HD1 ILE 73 3HD1 ILE 73 -4.115 -5.050 8.668 598 H GLU 74 H GLU 74 0.073 -7.241 7.978 599 HA GLU 74 HA GLU 74 0.940 -8.614 10.469 600 1HB GLU 74 2HB GLU 74 2.063 -8.287 7.803 601 2HB GLU 74 3HB GLU 74 3.219 -7.749 9.018 602 1HG GLU 74 2HG GLU 74 3.184 -9.838 10.171 603 2HG GLU 74 3HG GLU 74 1.806 -10.421 9.225 604 H GLY 75 H GLY 75 2.690 -7.627 11.751 605 1HA GLY 75 1HA GLY 75 3.293 -4.918 12.062 606 2HA GLY 75 2HA GLY 75 1.690 -5.137 12.794 607 H ARG 76 H ARG 76 5.095 -5.862 13.068 608 HA ARG 76 HA ARG 76 4.687 -7.678 15.388 609 1HB ARG 76 2HB ARG 76 6.058 -8.364 13.297 610 2HB ARG 76 3HB ARG 76 7.253 -7.174 13.852 611 1HG ARG 76 2HG ARG 76 7.333 -8.392 16.057 612 2HG ARG 76 3HG ARG 76 6.189 -9.576 15.409 613 1HD ARG 76 2HD ARG 76 7.795 -10.093 13.565 614 2HD ARG 76 3HD ARG 76 8.981 -9.003 14.276 615 HE ARG 76 HE ARG 76 8.294 -11.706 15.071 616 1HH1 ARG 76 1HH2 ARG 76 9.395 -8.638 16.396 617 2HH1 ARG 76 2HH2 ARG 76 10.260 -9.321 17.738 618 1HH2 ARG 76 1HH1 ARG 76 9.366 -12.671 16.873 619 2HH2 ARG 76 2HH1 ARG 76 10.213 -11.689 18.022 Start of MODEL 27 1 1H GLY 1 1H GLY 1 2.433 1.671 17.850 2 2H GLY 1 2H GLY 1 3.733 2.676 18.137 3 3H GLY 1 3H GLY 1 2.311 3.258 17.491 4 1HA GLY 1 1HA GLY 1 3.914 3.070 15.757 5 2HA GLY 1 2HA GLY 1 4.086 1.345 16.165 6 H GLU 2 H GLU 2 3.380 1.883 13.679 7 HA GLU 2 HA GLU 2 0.476 1.828 13.278 8 1HB GLU 2 2HB GLU 2 1.172 2.254 10.975 9 2HB GLU 2 3HB GLU 2 1.939 3.379 12.070 10 1HG GLU 2 2HG GLU 2 3.440 0.874 11.220 11 2HG GLU 2 3HG GLU 2 3.218 2.214 10.101 12 H VAL 3 H VAL 3 0.330 0.302 10.918 13 HA VAL 3 HA VAL 3 1.296 -2.422 11.642 14 HB VAL 3 HB VAL 3 -1.485 -1.571 10.810 15 1HG1 VAL 3 1HG1 VAL 3 -2.157 -3.881 11.017 16 2HG1 VAL 3 2HG1 VAL 3 -0.951 -3.674 9.748 17 3HG1 VAL 3 3HG1 VAL 3 -0.468 -4.379 11.310 18 1HG2 VAL 3 1HG2 VAL 3 -1.154 -1.204 13.235 19 2HG2 VAL 3 2HG2 VAL 3 -2.143 -2.657 13.021 20 3HG2 VAL 3 3HG2 VAL 3 -0.421 -2.812 13.400 21 H VAL 4 H VAL 4 1.892 -3.625 9.859 22 HA VAL 4 HA VAL 4 2.084 -2.267 7.305 23 HB VAL 4 HB VAL 4 4.143 -2.691 8.228 24 1HG1 VAL 4 1HG1 VAL 4 4.885 -5.028 8.665 25 2HG1 VAL 4 2HG1 VAL 4 3.648 -4.411 9.783 26 3HG1 VAL 4 3HG1 VAL 4 3.184 -5.523 8.458 27 1HG2 VAL 4 1HG2 VAL 4 5.085 -3.964 6.410 28 2HG2 VAL 4 2HG2 VAL 4 3.573 -4.889 6.221 29 3HG2 VAL 4 3HG2 VAL 4 3.614 -3.174 5.765 30 H LEU 5 H LEU 5 1.039 -2.984 5.562 31 HA LEU 5 HA LEU 5 -0.163 -5.713 5.585 32 1HB LEU 5 2HB LEU 5 -1.357 -3.049 4.756 33 2HB LEU 5 3HB LEU 5 -1.773 -4.530 3.885 34 HG LEU 5 HG LEU 5 -2.451 -5.623 5.982 35 1HD1 LEU 5 1HD1 LEU 5 -1.524 -3.084 7.233 36 2HD1 LEU 5 2HD1 LEU 5 -2.983 -3.871 7.896 37 3HD1 LEU 5 3HD1 LEU 5 -1.463 -4.764 7.763 38 1HD2 LEU 5 1HD2 LEU 5 -4.065 -4.791 4.580 39 2HD2 LEU 5 2HD2 LEU 5 -4.566 -4.362 6.224 40 3HD2 LEU 5 3HD2 LEU 5 -3.865 -3.122 5.140 41 H LYS 6 H LYS 6 -0.006 -6.738 3.696 42 HA LYS 6 HA LYS 6 1.871 -5.630 1.641 43 1HB LYS 6 2HB LYS 6 2.924 -7.207 3.244 44 2HB LYS 6 3HB LYS 6 1.776 -8.415 2.651 45 1HG LYS 6 2HG LYS 6 3.692 -6.975 0.794 46 2HG LYS 6 3HG LYS 6 4.158 -8.407 1.703 47 1HD LYS 6 2HD LYS 6 1.977 -9.478 0.769 48 2HD LYS 6 3HD LYS 6 2.029 -8.202 -0.442 49 1HE LYS 6 2HE LYS 6 4.181 -8.949 -1.289 50 2HE LYS 6 3HE LYS 6 4.446 -10.004 0.098 51 1HZ LYS 6 1HZ LYS 6 2.370 -10.383 -1.944 52 2HZ LYS 6 2HZ LYS 6 3.814 -11.168 -1.875 53 3HZ LYS 6 3HZ LYS 6 2.706 -11.400 -0.683 54 H MET 7 H MET 7 1.033 -5.590 -0.219 55 HA MET 7 HA MET 7 -1.305 -7.227 -0.949 56 1HB MET 7 2HB MET 7 -0.693 -4.673 -2.389 57 2HB MET 7 3HB MET 7 -2.221 -5.467 -2.070 58 1HG MET 7 2HG MET 7 -2.113 -4.705 0.289 59 2HG MET 7 3HG MET 7 -0.595 -3.884 -0.040 60 1HE MET 7 1HE MET 7 -1.769 -1.882 1.191 61 2HE MET 7 2HE MET 7 -3.142 -0.990 0.501 62 3HE MET 7 3HE MET 7 -3.387 -2.614 1.193 63 H LYS 8 H LYS 8 -1.007 -8.559 -2.733 64 HA LYS 8 HA LYS 8 1.585 -8.373 -4.210 65 1HB LYS 8 2HB LYS 8 0.652 -10.586 -3.586 66 2HB LYS 8 3HB LYS 8 -0.764 -10.310 -4.601 67 1HG LYS 8 2HG LYS 8 2.044 -10.103 -5.654 68 2HG LYS 8 3HG LYS 8 1.229 -11.666 -5.518 69 1HD LYS 8 2HD LYS 8 -0.380 -9.690 -7.065 70 2HD LYS 8 3HD LYS 8 1.254 -9.892 -7.669 71 1HE LYS 8 2HE LYS 8 0.190 -11.448 -8.902 72 2HE LYS 8 3HE LYS 8 0.776 -12.470 -7.591 73 1HZ LYS 8 1HZ LYS 8 -1.897 -11.286 -7.954 74 2HZ LYS 8 2HZ LYS 8 -1.541 -12.870 -8.137 75 3HZ LYS 8 3HZ LYS 8 -1.512 -12.182 -6.628 76 H VAL 9 H VAL 9 1.693 -7.168 -6.151 77 HA VAL 9 HA VAL 9 -0.929 -6.193 -7.251 78 HB VAL 9 HB VAL 9 0.403 -4.304 -8.130 79 1HG1 VAL 9 1HG1 VAL 9 0.498 -3.111 -5.919 80 2HG1 VAL 9 2HG1 VAL 9 -0.992 -4.026 -6.181 81 3HG1 VAL 9 3HG1 VAL 9 0.267 -4.667 -5.103 82 1HG2 VAL 9 1HG2 VAL 9 2.690 -5.286 -7.962 83 2HG2 VAL 9 2HG2 VAL 9 2.556 -3.718 -7.159 84 3HG2 VAL 9 3HG2 VAL 9 2.580 -5.191 -6.186 85 H GLU 10 H GLU 10 -1.073 -6.011 -9.580 86 HA GLU 10 HA GLU 10 1.038 -7.555 -11.044 87 1HB GLU 10 2HB GLU 10 -1.903 -7.581 -11.626 88 2HB GLU 10 3HB GLU 10 -0.664 -8.346 -12.601 89 1HG GLU 10 2HG GLU 10 -0.967 -10.216 -11.392 90 2HG GLU 10 3HG GLU 10 -0.247 -9.332 -10.041 91 H GLY 11 H GLY 11 1.780 -6.649 -12.753 92 1HA GLY 11 1HA GLY 11 1.591 -5.492 -14.855 93 2HA GLY 11 2HA GLY 11 0.413 -4.378 -14.154 94 H MET 12 H MET 12 2.135 -4.110 -11.642 95 HA MET 12 HA MET 12 3.505 -1.732 -12.508 96 1HB MET 12 2HB MET 12 3.755 -3.240 -9.870 97 2HB MET 12 3HB MET 12 4.323 -1.604 -10.224 98 1HG MET 12 2HG MET 12 1.818 -1.068 -10.730 99 2HG MET 12 3HG MET 12 1.503 -2.612 -9.927 100 1HE MET 12 1HE MET 12 0.065 -0.303 -8.439 101 2HE MET 12 2HE MET 12 0.236 -2.002 -7.957 102 3HE MET 12 3HE MET 12 0.613 -0.719 -6.793 103 H THR 13 H THR 13 5.175 -2.298 -14.071 104 HA THR 13 HA THR 13 7.624 -3.263 -12.726 105 HB THR 13 HB THR 13 6.505 -4.302 -15.338 106 HG1 THR 13 1HG THR 13 6.321 -5.104 -12.751 107 1HG2 THR 13 1HG2 THR 13 9.149 -4.729 -13.927 108 2HG2 THR 13 2HG2 THR 13 8.463 -5.947 -15.034 109 3HG2 THR 13 3HG2 THR 13 8.848 -4.332 -15.638 110 H CYS 14 HN CYS 14 7.219 -0.651 -12.803 111 HA CYS 14 HA CYS 14 9.587 0.065 -14.190 112 1HB CYS 14 2HB CYS 14 8.733 1.946 -15.481 113 2HB CYS 14 3HB CYS 14 7.966 0.467 -16.052 114 H HIS 15 H HIS 15 10.264 2.269 -13.352 115 HA HIS 15 HA HIS 15 9.321 2.575 -10.597 116 1HB HIS 15 2HB HIS 15 11.739 2.619 -11.259 117 2HB HIS 15 3HB HIS 15 11.451 4.190 -12.017 118 HD1 HIS 15 1HD HIS 15 11.091 2.542 -8.503 119 HD2 HIS 15 2HD HIS 15 11.535 6.284 -10.381 120 HE1 HIS 15 1HE HIS 15 11.304 4.276 -6.643 121 H SER 16 H SER 16 7.241 3.099 -12.283 122 HA SER 16 HA SER 16 6.785 6.025 -11.791 123 1HB SER 16 2HB SER 16 5.714 4.458 -14.169 124 2HB SER 16 3HB SER 16 5.305 6.119 -13.713 125 HG SER 16 HG SER 16 7.011 5.955 -15.299 126 H CYS 17 HN CYS 17 5.035 2.947 -12.550 127 HA CYS 17 HA CYS 17 2.667 3.480 -11.278 128 1HB CYS 17 2HB CYS 17 4.089 0.777 -11.196 129 2HB CYS 17 3HB CYS 17 2.363 1.115 -11.116 130 H THR 18 H THR 18 5.395 1.744 -9.783 131 HA THR 18 HA THR 18 4.459 1.689 -7.149 132 HB THR 18 HB THR 18 6.252 0.279 -7.769 133 HG1 THR 18 1HG THR 18 7.430 0.563 -5.945 134 1HG2 THR 18 1HG2 THR 18 8.152 2.637 -8.090 135 2HG2 THR 18 2HG2 THR 18 8.467 0.924 -8.373 136 3HG2 THR 18 3HG2 THR 18 7.396 1.802 -9.468 137 H SER 19 H SER 19 6.714 4.103 -8.558 138 HA SER 19 HA SER 19 7.041 5.570 -6.163 139 1HB SER 19 2HB SER 19 8.530 5.602 -8.187 140 2HB SER 19 3HB SER 19 7.326 6.588 -9.041 141 HG SER 19 HG SER 19 9.154 7.643 -7.842 142 H THR 20 H THR 20 4.740 6.162 -8.892 143 HA THR 20 HA THR 20 3.553 8.515 -7.884 144 HB THR 20 HB THR 20 2.403 6.210 -9.526 145 HG1 THR 20 1HG THR 20 3.593 8.713 -10.129 146 1HG2 THR 20 1HG2 THR 20 1.272 8.997 -8.999 147 2HG2 THR 20 2HG2 THR 20 0.728 7.908 -10.294 148 3HG2 THR 20 3HG2 THR 20 0.513 7.439 -8.603 149 H ILE 21 H ILE 21 2.723 5.023 -7.212 150 HA ILE 21 HA ILE 21 0.553 5.717 -5.458 151 HB ILE 21 HB ILE 21 2.095 3.292 -6.336 152 1HG1 ILE 21 2HG1 ILE 21 -0.858 3.565 -5.795 153 2HG1 ILE 21 3HG1 ILE 21 -0.131 4.424 -7.151 154 1HG2 ILE 21 1HG2 ILE 21 2.208 2.932 -3.995 155 2HG2 ILE 21 2HG2 ILE 21 0.478 3.364 -3.796 156 3HG2 ILE 21 3HG2 ILE 21 0.948 1.887 -4.677 157 1HD1 ILE 21 1HD1 ILE 21 0.242 1.460 -6.777 158 2HD1 ILE 21 2HD1 ILE 21 -1.087 2.177 -7.714 159 3HD1 ILE 21 3HD1 ILE 21 0.605 2.432 -8.217 160 H GLU 22 H GLU 22 4.004 4.998 -4.954 161 HA GLU 22 HA GLU 22 3.978 5.126 -2.174 162 1HB GLU 22 2HB GLU 22 5.989 5.076 -4.299 163 2HB GLU 22 3HB GLU 22 6.541 6.052 -2.970 164 1HG GLU 22 2HG GLU 22 5.847 4.152 -1.429 165 2HG GLU 22 3HG GLU 22 5.389 3.212 -2.862 166 H GLY 23 H GLY 23 4.489 7.815 -4.441 167 1HA GLY 23 1HA GLY 23 4.517 9.928 -2.582 168 2HA GLY 23 2HA GLY 23 3.907 10.020 -4.242 169 H LYS 24 H LYS 24 1.681 8.589 -4.385 170 HA LYS 24 HA LYS 24 -0.192 10.344 -3.302 171 1HB LYS 24 2HB LYS 24 -0.358 8.597 -5.271 172 2HB LYS 24 3HB LYS 24 -0.959 7.506 -4.033 173 1HG LYS 24 2HG LYS 24 -2.988 8.373 -4.504 174 2HG LYS 24 3HG LYS 24 -2.501 9.767 -3.542 175 1HD LYS 24 2HD LYS 24 -1.615 10.872 -5.607 176 2HD LYS 24 3HD LYS 24 -2.056 9.440 -6.552 177 1HE LYS 24 2HE LYS 24 -4.482 9.812 -5.789 178 2HE LYS 24 3HE LYS 24 -3.953 11.381 -5.163 179 1HZ LYS 24 1HZ LYS 24 -3.795 10.469 -7.967 180 2HZ LYS 24 2HZ LYS 24 -4.850 11.570 -7.367 181 3HZ LYS 24 3HZ LYS 24 -3.245 11.923 -7.429 182 H ILE 25 H ILE 25 0.559 7.060 -2.256 183 HA ILE 25 HA ILE 25 -1.200 6.974 0.010 184 HB ILE 25 HB ILE 25 1.113 5.314 -0.883 185 1HG1 ILE 25 2HG1 ILE 25 -0.917 5.069 -2.182 186 2HG1 ILE 25 3HG1 ILE 25 -0.438 3.610 -1.309 187 1HG2 ILE 25 1HG2 ILE 25 -0.374 5.085 1.710 188 2HG2 ILE 25 2HG2 ILE 25 0.356 3.682 0.940 189 3HG2 ILE 25 3HG2 ILE 25 1.377 5.050 1.410 190 1HD1 ILE 25 1HD1 ILE 25 -2.658 5.541 -0.579 191 2HD1 ILE 25 2HD1 ILE 25 -2.808 3.840 -1.018 192 3HD1 ILE 25 3HD1 ILE 25 -2.056 4.274 0.518 193 H GLY 26 H GLY 26 2.327 7.731 -0.260 194 1HA GLY 26 1HA GLY 26 2.852 8.354 2.410 195 2HA GLY 26 2HA GLY 26 3.548 9.181 1.004 196 H LYS 27 H LYS 27 1.201 10.364 -0.078 197 HA LYS 27 HA LYS 27 1.027 12.689 1.496 198 1HB LYS 27 2HB LYS 27 0.844 12.325 -1.013 199 2HB LYS 27 3HB LYS 27 -0.872 12.000 -0.735 200 1HG LYS 27 2HG LYS 27 -0.368 14.399 0.676 201 2HG LYS 27 3HG LYS 27 0.721 14.490 -0.705 202 1HD LYS 27 2HD LYS 27 -1.271 15.529 -1.447 203 2HD LYS 27 3HD LYS 27 -1.319 13.912 -2.177 204 1HE LYS 27 2HE LYS 27 -2.782 13.161 -0.218 205 2HE LYS 27 3HE LYS 27 -2.737 14.815 0.398 206 1HZ LYS 27 1HZ LYS 27 -3.908 13.956 -2.160 207 2HZ LYS 27 2HZ LYS 27 -4.725 14.410 -0.810 208 3HZ LYS 27 3HZ LYS 27 -3.835 15.518 -1.636 209 H LEU 28 H LEU 28 -0.835 9.721 1.898 210 HA LEU 28 HA LEU 28 -3.366 11.005 2.551 211 1HB LEU 28 2HB LEU 28 -2.445 8.220 2.994 212 2HB LEU 28 3HB LEU 28 -4.059 8.875 3.155 213 HG LEU 28 HG LEU 28 -2.541 8.476 0.583 214 1HD1 LEU 28 1HD1 LEU 28 -4.640 7.308 0.009 215 2HD1 LEU 28 2HD1 LEU 28 -4.038 6.722 1.581 216 3HD1 LEU 28 3HD1 LEU 28 -5.354 7.922 1.525 217 1HD2 LEU 28 1HD2 LEU 28 -3.366 10.742 0.279 218 2HD2 LEU 28 2HD2 LEU 28 -4.384 9.626 -0.628 219 3HD2 LEU 28 3HD2 LEU 28 -4.969 10.280 0.914 220 H GLN 29 H GLN 29 -4.051 11.638 4.470 221 HA GLN 29 HA GLN 29 -2.335 11.686 6.699 222 1HB GLN 29 2HB GLN 29 -4.170 12.870 7.827 223 2HB GLN 29 3HB GLN 29 -3.928 13.442 6.175 224 1HG GLN 29 2HG GLN 29 -5.820 11.589 5.650 225 2HG GLN 29 3HG GLN 29 -6.193 11.842 7.354 226 1HE2 GLN 29 2HE2 GLN 29 -8.122 13.003 7.257 227 2HE2 GLN 29 1HE2 GLN 29 -8.298 14.502 6.360 228 H GLY 30 H GLY 30 -1.727 9.650 7.345 229 1HA GLY 30 1HA GLY 30 -2.909 8.234 9.337 230 2HA GLY 30 2HA GLY 30 -3.778 7.615 7.951 231 H VAL 31 H VAL 31 -1.171 8.050 6.313 232 HA VAL 31 HA VAL 31 -0.139 5.400 6.960 233 HB VAL 31 HB VAL 31 0.306 7.453 4.738 234 1HG1 VAL 31 1HG1 VAL 31 2.433 6.252 4.931 235 2HG1 VAL 31 2HG1 VAL 31 1.575 4.689 4.905 236 3HG1 VAL 31 3HG1 VAL 31 1.569 5.754 3.486 237 1HG2 VAL 31 1HG2 VAL 31 -0.840 4.665 4.404 238 2HG2 VAL 31 2HG2 VAL 31 -1.871 5.995 4.957 239 3HG2 VAL 31 3HG2 VAL 31 -1.072 6.124 3.409 240 H GLN 32 H GLN 32 2.040 4.935 7.318 241 HA GLN 32 HA GLN 32 3.670 7.145 8.525 242 1HB GLN 32 2HB GLN 32 2.942 4.368 9.437 243 2HB GLN 32 3HB GLN 32 4.489 5.070 9.897 244 1HG GLN 32 2HG GLN 32 1.923 6.506 10.372 245 2HG GLN 32 3HG GLN 32 2.621 5.411 11.569 246 1HE2 GLN 32 2HE2 GLN 32 5.167 5.813 11.821 247 2HE2 GLN 32 1HE2 GLN 32 5.550 7.503 12.144 248 H ARG 33 H ARG 33 3.695 4.057 6.628 249 HA ARG 33 HA ARG 33 6.095 4.947 5.258 250 1HB ARG 33 2HB ARG 33 6.498 3.319 7.555 251 2HB ARG 33 3HB ARG 33 6.499 2.195 6.192 252 1HG ARG 33 2HG ARG 33 8.152 3.826 5.048 253 2HG ARG 33 3HG ARG 33 8.269 4.605 6.635 254 1HD ARG 33 2HD ARG 33 8.819 2.210 7.544 255 2HD ARG 33 3HD ARG 33 8.907 1.719 5.862 256 HE ARG 33 HE ARG 33 10.916 2.791 5.578 257 1HH1 ARG 33 1HH2 ARG 33 9.456 3.891 8.587 258 2HH1 ARG 33 2HH2 ARG 33 10.887 4.643 9.216 259 1HH2 ARG 33 1HH1 ARG 33 12.841 3.838 6.335 260 2HH2 ARG 33 2HH1 ARG 33 12.855 4.634 7.873 261 H ILE 34 H ILE 34 6.681 3.226 3.599 262 HA ILE 34 HA ILE 34 4.594 1.520 2.719 263 HB ILE 34 HB ILE 34 3.655 3.660 2.054 264 1HG1 ILE 34 2HG1 ILE 34 4.978 2.385 -0.326 265 2HG1 ILE 34 3HG1 ILE 34 3.632 1.653 0.531 266 1HG2 ILE 34 1HG2 ILE 34 6.348 4.274 0.764 267 2HG2 ILE 34 2HG2 ILE 34 4.880 5.246 0.548 268 3HG2 ILE 34 3HG2 ILE 34 5.613 5.115 2.135 269 1HD1 ILE 34 1HD1 ILE 34 3.111 4.407 -0.386 270 2HD1 ILE 34 2HD1 ILE 34 3.161 3.105 -1.613 271 3HD1 ILE 34 3HD1 ILE 34 2.053 3.008 -0.256 272 H LYS 35 H LYS 35 5.505 0.121 1.236 273 HA LYS 35 HA LYS 35 8.134 0.554 0.208 274 1HB LYS 35 2HB LYS 35 7.602 -1.482 2.340 275 2HB LYS 35 3HB LYS 35 8.624 -1.951 0.981 276 1HG LYS 35 2HG LYS 35 9.115 0.412 2.817 277 2HG LYS 35 3HG LYS 35 9.813 -1.205 2.991 278 1HD LYS 35 2HD LYS 35 10.715 -0.939 0.585 279 2HD LYS 35 3HD LYS 35 10.213 0.741 0.699 280 1HE LYS 35 2HE LYS 35 12.267 1.165 1.543 281 2HE LYS 35 3HE LYS 35 11.651 0.487 3.052 282 1HZ LYS 35 1HZ LYS 35 13.118 -0.967 0.946 283 2HZ LYS 35 2HZ LYS 35 13.705 -0.544 2.420 284 3HZ LYS 35 3HZ LYS 35 12.510 -1.670 2.304 285 H VAL 36 H VAL 36 7.184 0.661 -1.889 286 HA VAL 36 HA VAL 36 5.717 -1.774 -2.755 287 HB VAL 36 HB VAL 36 5.905 0.934 -4.065 288 1HG1 VAL 36 1HG1 VAL 36 4.020 0.055 -5.458 289 2HG1 VAL 36 2HG1 VAL 36 5.486 -0.900 -5.727 290 3HG1 VAL 36 3HG1 VAL 36 4.196 -1.535 -4.698 291 1HG2 VAL 36 1HG2 VAL 36 3.528 1.101 -3.367 292 2HG2 VAL 36 2HG2 VAL 36 3.704 -0.377 -2.413 293 3HG2 VAL 36 3HG2 VAL 36 4.649 1.053 -2.007 294 H SER 37 H SER 37 7.280 -3.288 -2.980 295 HA SER 37 HA SER 37 9.754 -2.903 -4.389 296 1HB SER 37 2HB SER 37 8.657 -5.586 -3.835 297 2HB SER 37 3HB SER 37 10.276 -4.969 -3.564 298 HG SER 37 HG SER 37 8.605 -5.387 -1.689 299 H LEU 38 H LEU 38 9.965 -3.003 -6.615 300 HA LEU 38 HA LEU 38 7.745 -3.855 -8.301 301 1HB LEU 38 2HB LEU 38 8.763 -2.131 -9.145 302 2HB LEU 38 3HB LEU 38 10.404 -2.575 -8.665 303 HG LEU 38 HG LEU 38 8.986 -4.003 -10.923 304 1HD1 LEU 38 1HD1 LEU 38 10.113 -2.399 -12.450 305 2HD1 LEU 38 2HD1 LEU 38 9.010 -1.543 -11.356 306 3HD1 LEU 38 3HD1 LEU 38 10.758 -1.516 -11.051 307 1HD2 LEU 38 1HD2 LEU 38 10.941 -5.221 -10.485 308 2HD2 LEU 38 2HD2 LEU 38 11.509 -4.089 -11.688 309 3HD2 LEU 38 3HD2 LEU 38 11.866 -3.790 -9.979 310 H ASP 39 H ASP 39 11.021 -5.192 -7.571 311 HA ASP 39 HA ASP 39 11.241 -7.104 -9.413 312 1HB ASP 39 2HB ASP 39 11.846 -7.599 -6.458 313 2HB ASP 39 3HB ASP 39 12.627 -8.334 -7.845 314 H ASN 40 H ASN 40 9.796 -7.723 -6.235 315 HA ASN 40 HA ASN 40 8.785 -10.249 -7.245 316 1HB ASN 40 2HB ASN 40 10.062 -10.042 -5.106 317 2HB ASN 40 3HB ASN 40 8.596 -9.307 -4.438 318 1HD2 ASN 40 2HD2 ASN 40 8.403 -11.108 -2.906 319 2HD2 ASN 40 1HD2 ASN 40 7.944 -12.708 -3.473 320 H GLN 41 H GLN 41 7.605 -7.596 -8.025 321 HA GLN 41 HA GLN 41 5.961 -6.139 -7.751 322 1HB GLN 41 2HB GLN 41 4.875 -8.647 -8.898 323 2HB GLN 41 3HB GLN 41 3.751 -7.335 -8.567 324 1HG GLN 41 2HG GLN 41 5.086 -5.789 -9.853 325 2HG GLN 41 3HG GLN 41 6.207 -7.086 -10.316 326 1HE2 GLN 41 2HE2 GLN 41 4.951 -9.135 -11.212 327 2HE2 GLN 41 1HE2 GLN 41 3.655 -8.779 -12.341 328 H GLU 42 H GLU 42 6.076 -5.783 -5.461 329 HA GLU 42 HA GLU 42 3.808 -6.865 -3.839 330 1HB GLU 42 2HB GLU 42 5.767 -7.996 -3.128 331 2HB GLU 42 3HB GLU 42 6.767 -6.557 -3.317 332 1HG GLU 42 2HG GLU 42 5.757 -5.481 -1.379 333 2HG GLU 42 3HG GLU 42 4.664 -6.848 -1.172 334 H ALA 43 H ALA 43 2.726 -5.350 -2.788 335 HA ALA 43 HA ALA 43 3.782 -2.566 -2.601 336 1HB ALA 43 1HB ALA 43 1.418 -1.824 -2.603 337 2HB ALA 43 2HB ALA 43 1.956 -2.535 -4.132 338 3HB ALA 43 3HB ALA 43 0.944 -3.478 -3.029 339 H THR 44 H THR 44 4.712 -2.648 -0.583 340 HA THR 44 HA THR 44 3.156 -3.659 1.727 341 HB THR 44 HB THR 44 5.776 -2.103 1.655 342 HG1 THR 44 1HG THR 44 6.222 -3.798 0.402 343 1HG2 THR 44 1HG2 THR 44 4.584 -4.107 3.620 344 2HG2 THR 44 2HG2 THR 44 6.207 -3.397 3.752 345 3HG2 THR 44 3HG2 THR 44 4.779 -2.352 3.868 346 H ILE 45 H ILE 45 1.746 -2.239 2.772 347 HA ILE 45 HA ILE 45 2.481 0.655 2.703 348 HB ILE 45 HB ILE 45 -0.343 -0.476 2.643 349 1HG1 ILE 45 2HG1 ILE 45 -0.478 0.869 0.546 350 2HG1 ILE 45 3HG1 ILE 45 1.277 1.103 0.605 351 1HG2 ILE 45 1HG2 ILE 45 -0.833 2.039 2.456 352 2HG2 ILE 45 2HG2 ILE 45 -0.224 1.516 4.034 353 3HG2 ILE 45 3HG2 ILE 45 0.855 2.329 2.886 354 1HD1 ILE 45 1HD1 ILE 45 0.380 -1.730 0.555 355 2HD1 ILE 45 2HD1 ILE 45 0.006 -0.758 -0.882 356 3HD1 ILE 45 3HD1 ILE 45 1.672 -0.897 -0.344 357 H VAL 46 H VAL 46 2.703 1.544 4.661 358 HA VAL 46 HA VAL 46 2.087 -0.154 7.029 359 HB VAL 46 HB VAL 46 4.360 1.808 6.874 360 1HG1 VAL 46 1HG1 VAL 46 4.966 -0.541 8.387 361 2HG1 VAL 46 2HG1 VAL 46 4.773 1.117 8.936 362 3HG1 VAL 46 3HG1 VAL 46 3.369 0.022 8.896 363 1HG2 VAL 46 1HG2 VAL 46 5.877 -0.109 6.312 364 2HG2 VAL 46 2HG2 VAL 46 4.440 -1.091 5.982 365 3HG2 VAL 46 3HG2 VAL 46 4.811 0.326 4.977 366 H TYR 47 H TYR 47 0.333 0.715 8.032 367 HA TYR 47 HA TYR 47 0.098 3.667 8.187 368 1HB TYR 47 2HB TYR 47 -2.052 3.700 7.182 369 2HB TYR 47 3HB TYR 47 -1.096 2.713 6.087 370 HD1 TYR 47 1HD TYR 47 -1.299 0.150 6.269 371 HD2 TYR 47 2HD TYR 47 -3.945 2.782 8.426 372 HE1 TYR 47 1HE TYR 47 -2.946 -1.659 6.508 373 HE2 TYR 47 2HE TYR 47 -5.619 0.972 8.584 374 HH TYR 47 HH TYR 47 -4.935 -2.338 7.452 375 H GLN 48 H GLN 48 -1.713 4.383 9.487 376 HA GLN 48 HA GLN 48 -1.592 2.846 11.960 377 1HB GLN 48 2HB GLN 48 -0.922 5.262 11.541 378 2HB GLN 48 3HB GLN 48 -2.631 5.656 11.541 379 1HG GLN 48 2HG GLN 48 -2.912 4.728 13.818 380 2HG GLN 48 3HG GLN 48 -1.267 4.077 13.799 381 1HE2 GLN 48 2HE2 GLN 48 -3.062 6.617 15.037 382 2HE2 GLN 48 1HE2 GLN 48 -1.722 7.721 15.287 383 HA PRO 49 HA PRO 49 -5.763 1.512 10.783 384 1HB PRO 49 2HB PRO 49 -6.226 -0.405 12.650 385 2HB PRO 49 3HB PRO 49 -5.030 -0.601 11.338 386 1HG PRO 49 2HG PRO 49 -4.494 0.351 14.172 387 2HG PRO 49 3HG PRO 49 -3.686 -0.982 13.301 388 1HD PRO 49 2HD PRO 49 -2.608 1.492 13.380 389 2HD PRO 49 3HD PRO 49 -2.552 0.547 11.860 390 H HIS 50 H HIS 50 -6.323 3.706 11.347 391 HA HIS 50 HA HIS 50 -8.503 3.992 13.212 392 1HB HIS 50 2HB HIS 50 -6.872 4.179 14.959 393 2HB HIS 50 3HB HIS 50 -5.769 5.106 13.939 394 HD1 HIS 50 1HD HIS 50 -9.187 6.595 13.735 395 HD2 HIS 50 2HD HIS 50 -5.700 6.846 16.076 396 HE1 HIS 50 1HE HIS 50 -9.322 8.797 15.020 397 H LEU 51 H LEU 51 -5.823 5.622 11.466 398 HA LEU 51 HA LEU 51 -7.465 7.985 10.949 399 1HB LEU 51 2HB LEU 51 -4.728 7.150 10.163 400 2HB LEU 51 3HB LEU 51 -5.404 8.724 9.743 401 HG LEU 51 HG LEU 51 -5.102 7.676 12.618 402 1HD1 LEU 51 1HD1 LEU 51 -3.348 9.680 11.147 403 2HD1 LEU 51 2HD1 LEU 51 -3.222 9.234 12.860 404 3HD1 LEU 51 3HD1 LEU 51 -2.880 8.027 11.619 405 1HD2 LEU 51 1HD2 LEU 51 -6.855 9.379 12.503 406 2HD2 LEU 51 2HD2 LEU 51 -5.417 10.089 13.230 407 3HD2 LEU 51 3HD2 LEU 51 -5.806 10.438 11.533 408 H ILE 52 H ILE 52 -6.040 5.326 9.014 409 HA ILE 52 HA ILE 52 -7.891 5.931 6.815 410 HB ILE 52 HB ILE 52 -5.240 6.631 6.834 411 1HG1 ILE 52 2HG1 ILE 52 -5.431 6.228 4.251 412 2HG1 ILE 52 3HG1 ILE 52 -7.135 5.961 4.719 413 1HG2 ILE 52 1HG2 ILE 52 -3.892 5.107 5.574 414 2HG2 ILE 52 2HG2 ILE 52 -4.394 4.426 7.111 415 3HG2 ILE 52 3HG2 ILE 52 -5.173 3.875 5.578 416 1HD1 ILE 52 1HD1 ILE 52 -5.374 8.399 5.283 417 2HD1 ILE 52 2HD1 ILE 52 -6.726 8.340 4.140 418 3HD1 ILE 52 3HD1 ILE 52 -7.037 8.219 5.888 419 H SER 53 H SER 53 -8.329 3.958 5.519 420 HA SER 53 HA SER 53 -8.075 1.450 7.124 421 1HB SER 53 2HB SER 53 -10.384 1.004 6.253 422 2HB SER 53 3HB SER 53 -10.296 2.445 7.282 423 HG SER 53 HG SER 53 -11.406 3.041 5.442 424 H VAL 54 H VAL 54 -8.250 -0.521 5.850 425 HA VAL 54 HA VAL 54 -6.580 -0.819 3.682 426 HB VAL 54 HB VAL 54 -9.029 -2.394 4.500 427 1HG1 VAL 54 1HG1 VAL 54 -8.068 -4.218 3.006 428 2HG1 VAL 54 2HG1 VAL 54 -8.792 -2.868 2.129 429 3HG1 VAL 54 3HG1 VAL 54 -7.023 -2.968 2.286 430 1HG2 VAL 54 1HG2 VAL 54 -6.054 -3.007 4.607 431 2HG2 VAL 54 2HG2 VAL 54 -7.006 -2.433 6.002 432 3HG2 VAL 54 3HG2 VAL 54 -7.344 -4.017 5.278 433 H GLU 55 H GLU 55 -10.070 -0.055 3.543 434 HA GLU 55 HA GLU 55 -10.249 -0.420 0.730 435 1HB GLU 55 2HB GLU 55 -12.089 -0.348 2.542 436 2HB GLU 55 3HB GLU 55 -12.071 1.392 2.240 437 1HG GLU 55 2HG GLU 55 -12.380 -0.590 -0.027 438 2HG GLU 55 3HG GLU 55 -13.756 -0.177 0.997 439 H GLU 56 H GLU 56 -9.989 2.666 2.587 440 HA GLU 56 HA GLU 56 -9.514 4.533 0.667 441 1HB GLU 56 2HB GLU 56 -8.720 4.081 3.485 442 2HB GLU 56 3HB GLU 56 -7.553 5.051 2.612 443 1HG GLU 56 2HG GLU 56 -10.522 5.690 2.583 444 2HG GLU 56 3HG GLU 56 -9.417 6.272 3.837 445 H MET 57 H MET 57 -6.855 2.488 2.172 446 HA MET 57 HA MET 57 -4.864 3.207 0.430 447 1HB MET 57 2HB MET 57 -5.221 0.418 1.408 448 2HB MET 57 3HB MET 57 -3.764 1.316 1.006 449 1HG MET 57 2HG MET 57 -4.479 2.924 2.933 450 2HG MET 57 3HG MET 57 -5.440 1.522 3.462 451 1HE MET 57 1HE MET 57 -3.917 -0.929 2.785 452 2HE MET 57 2HE MET 57 -2.762 -1.183 4.109 453 3HE MET 57 3HE MET 57 -4.448 -0.729 4.468 454 H LYS 58 H LYS 58 -7.003 0.305 -0.049 455 HA LYS 58 HA LYS 58 -5.862 -0.233 -2.616 456 1HB LYS 58 2HB LYS 58 -6.754 -1.977 -1.774 457 2HB LYS 58 3HB LYS 58 -8.313 -1.237 -1.197 458 1HG LYS 58 2HG LYS 58 -8.814 -1.186 -3.815 459 2HG LYS 58 3HG LYS 58 -7.364 -2.179 -3.964 460 1HD LYS 58 2HD LYS 58 -8.958 -3.821 -3.811 461 2HD LYS 58 3HD LYS 58 -8.561 -3.659 -2.096 462 1HE LYS 58 2HE LYS 58 -10.508 -2.054 -1.851 463 2HE LYS 58 3HE LYS 58 -10.848 -2.241 -3.584 464 1HZ LYS 58 1HZ LYS 58 -10.984 -4.405 -1.605 465 2HZ LYS 58 2HZ LYS 58 -12.263 -3.617 -2.280 466 3HZ LYS 58 3HZ LYS 58 -11.280 -4.540 -3.225 467 H LYS 59 H LYS 59 -9.116 1.235 -1.928 468 HA LYS 59 HA LYS 59 -9.892 1.814 -4.466 469 1HB LYS 59 2HB LYS 59 -10.780 2.346 -1.936 470 2HB LYS 59 3HB LYS 59 -10.194 3.929 -2.350 471 1HG LYS 59 2HG LYS 59 -12.517 3.715 -2.753 472 2HG LYS 59 3HG LYS 59 -11.758 3.831 -4.364 473 1HD LYS 59 2HD LYS 59 -12.060 1.392 -4.704 474 2HD LYS 59 3HD LYS 59 -12.348 1.171 -2.985 475 1HE LYS 59 2HE LYS 59 -14.479 0.953 -3.741 476 2HE LYS 59 3HE LYS 59 -14.465 2.652 -3.292 477 1HZ LYS 59 1HZ LYS 59 -14.125 1.543 -6.005 478 2HZ LYS 59 2HZ LYS 59 -15.449 2.333 -5.432 479 3HZ LYS 59 3HZ LYS 59 -14.032 3.149 -5.643 480 H GLN 60 H GLN 60 -7.653 3.812 -2.406 481 HA GLN 60 HA GLN 60 -7.191 5.715 -4.566 482 1HB GLN 60 2HB GLN 60 -5.755 5.015 -2.057 483 2HB GLN 60 3HB GLN 60 -5.163 6.283 -3.116 484 1HG GLN 60 2HG GLN 60 -6.753 6.875 -1.060 485 2HG GLN 60 3HG GLN 60 -6.746 7.805 -2.553 486 1HE2 GLN 60 2HE2 GLN 60 -8.543 7.503 -4.107 487 2HE2 GLN 60 1HE2 GLN 60 -10.073 6.935 -3.455 488 H ILE 61 H ILE 61 -5.503 2.686 -3.668 489 HA ILE 61 HA ILE 61 -3.324 3.071 -5.595 490 HB ILE 61 HB ILE 61 -4.216 0.684 -3.982 491 1HG1 ILE 61 2HG1 ILE 61 -1.879 2.654 -3.807 492 2HG1 ILE 61 3HG1 ILE 61 -3.279 2.711 -2.800 493 1HG2 ILE 61 1HG2 ILE 61 -3.088 -0.040 -6.112 494 2HG2 ILE 61 2HG2 ILE 61 -1.763 1.072 -5.743 495 3HG2 ILE 61 3HG2 ILE 61 -2.077 -0.340 -4.712 496 1HD1 ILE 61 1HD1 ILE 61 -1.220 0.510 -2.858 497 2HD1 ILE 61 2HD1 ILE 61 -1.621 1.607 -1.525 498 3HD1 ILE 61 3HD1 ILE 61 -2.792 0.367 -2.021 499 H GLU 62 H GLU 62 -5.977 0.578 -5.486 500 HA GLU 62 HA GLU 62 -5.961 -0.286 -8.069 501 1HB GLU 62 2HB GLU 62 -7.710 -0.347 -5.788 502 2HB GLU 62 3HB GLU 62 -8.672 0.318 -7.078 503 1HG GLU 62 2HG GLU 62 -8.011 -1.720 -8.424 504 2HG GLU 62 3HG GLU 62 -7.119 -2.311 -7.022 505 H ALA 63 H ALA 63 -7.345 2.902 -6.962 506 HA ALA 63 HA ALA 63 -8.654 3.654 -9.288 507 1HB ALA 63 1HB ALA 63 -8.613 5.100 -7.346 508 2HB ALA 63 2HB ALA 63 -6.855 5.328 -7.508 509 3HB ALA 63 3HB ALA 63 -7.961 5.993 -8.723 510 H MET 64 H MET 64 -5.114 3.481 -8.856 511 HA MET 64 HA MET 64 -4.289 4.984 -11.123 512 1HB MET 64 2HB MET 64 -3.051 2.786 -9.516 513 2HB MET 64 3HB MET 64 -2.291 3.485 -10.949 514 1HG MET 64 2HG MET 64 -1.796 4.370 -8.620 515 2HG MET 64 3HG MET 64 -1.879 5.513 -9.962 516 1HE MET 64 1HE MET 64 -3.102 7.203 -6.496 517 2HE MET 64 2HE MET 64 -2.063 5.769 -6.550 518 3HE MET 64 3HE MET 64 -1.735 7.142 -7.643 519 H GLY 65 H GLY 65 -5.342 1.596 -10.676 520 1HA GLY 65 1HA GLY 65 -6.556 0.726 -12.695 521 2HA GLY 65 2HA GLY 65 -5.059 1.008 -13.604 522 H PHE 66 H PHE 66 -3.753 0.253 -10.792 523 HA PHE 66 HA PHE 66 -3.051 -2.384 -11.731 524 1HB PHE 66 2HB PHE 66 -2.242 -0.801 -9.300 525 2HB PHE 66 3HB PHE 66 -1.364 -2.206 -9.955 526 HD1 PHE 66 1HD PHE 66 -0.934 -1.803 -12.724 527 HD2 PHE 66 2HD PHE 66 -1.231 1.239 -9.682 528 HE1 PHE 66 1HE PHE 66 0.055 -0.127 -14.271 529 HE2 PHE 66 2HE PHE 66 -0.055 2.834 -11.163 530 HZ PHE 66 HZ PHE 66 0.387 2.211 -13.517 531 HA PRO 67 HA PRO 67 -6.053 -4.122 -8.712 532 1HB PRO 67 2HB PRO 67 -5.756 -6.780 -9.276 533 2HB PRO 67 3HB PRO 67 -6.671 -5.670 -10.341 534 1HG PRO 67 2HG PRO 67 -3.790 -6.549 -10.622 535 2HG PRO 67 3HG PRO 67 -5.055 -6.576 -11.881 536 1HD PRO 67 2HD PRO 67 -3.255 -4.556 -11.671 537 2HD PRO 67 3HD PRO 67 -4.947 -4.204 -12.137 538 H ALA 68 H ALA 68 -5.641 -4.835 -6.604 539 HA ALA 68 HA ALA 68 -2.897 -5.809 -5.972 540 1HB ALA 68 1HB ALA 68 -4.376 -3.720 -4.349 541 2HB ALA 68 2HB ALA 68 -2.755 -4.416 -4.086 542 3HB ALA 68 3HB ALA 68 -3.062 -3.358 -5.491 543 H PHE 69 H PHE 69 -2.794 -7.400 -4.560 544 HA PHE 69 HA PHE 69 -5.324 -8.481 -3.348 545 1HB PHE 69 2HB PHE 69 -2.787 -9.663 -4.308 546 2HB PHE 69 3HB PHE 69 -3.775 -10.535 -3.153 547 HD1 PHE 69 1HD PHE 69 -3.538 -9.403 -6.667 548 HD2 PHE 69 2HD PHE 69 -6.060 -11.304 -3.719 549 HE1 PHE 69 1HE PHE 69 -4.876 -10.428 -8.469 550 HE2 PHE 69 2HE PHE 69 -7.404 -12.320 -5.532 551 HZ PHE 69 HZ PHE 69 -6.803 -11.909 -7.911 552 H VAL 70 H VAL 70 -5.051 -6.750 -1.732 553 HA VAL 70 HA VAL 70 -3.064 -6.791 0.314 554 HB VAL 70 HB VAL 70 -4.392 -4.913 -0.053 555 1HG1 VAL 70 1HG1 VAL 70 -6.516 -6.089 -0.597 556 2HG1 VAL 70 2HG1 VAL 70 -6.732 -6.386 1.142 557 3HG1 VAL 70 3HG1 VAL 70 -6.669 -4.722 0.525 558 1HG2 VAL 70 1HG2 VAL 70 -4.860 -4.391 2.287 559 2HG2 VAL 70 2HG2 VAL 70 -4.848 -6.113 2.712 560 3HG2 VAL 70 3HG2 VAL 70 -3.356 -5.322 2.173 561 H LYS 71 H LYS 71 -2.480 -8.751 1.253 562 HA LYS 71 HA LYS 71 -4.488 -10.056 2.904 563 1HB LYS 71 2HB LYS 71 -4.321 -12.193 1.995 564 2HB LYS 71 3HB LYS 71 -5.026 -11.052 0.843 565 1HG LYS 71 2HG LYS 71 -2.617 -10.803 -0.024 566 2HG LYS 71 3HG LYS 71 -2.289 -12.272 0.889 567 1HD LYS 71 2HD LYS 71 -4.363 -13.306 -0.347 568 2HD LYS 71 3HD LYS 71 -4.300 -11.886 -1.379 569 1HE LYS 71 2HE LYS 71 -3.133 -13.546 -2.602 570 2HE LYS 71 3HE LYS 71 -1.858 -12.529 -1.914 571 1HZ LYS 71 1HZ LYS 71 -2.802 -15.129 -0.869 572 2HZ LYS 71 2HZ LYS 71 -1.373 -14.858 -1.628 573 3HZ LYS 71 3HZ LYS 71 -1.655 -14.202 -0.144 574 H LYS 72 H LYS 72 -2.697 -8.774 4.177 575 HA LYS 72 HA LYS 72 -1.234 -10.818 5.550 576 1HB LYS 72 2HB LYS 72 0.229 -9.747 3.496 577 2HB LYS 72 3HB LYS 72 0.449 -8.479 4.697 578 1HG LYS 72 2HG LYS 72 2.314 -9.752 4.976 579 2HG LYS 72 3HG LYS 72 1.324 -10.384 6.274 580 1HD LYS 72 2HD LYS 72 1.504 -11.658 3.486 581 2HD LYS 72 3HD LYS 72 2.667 -11.988 4.777 582 1HE LYS 72 2HE LYS 72 0.788 -12.794 6.241 583 2HE LYS 72 3HE LYS 72 -0.322 -12.625 4.864 584 1HZ LYS 72 1HZ LYS 72 2.035 -14.366 4.894 585 2HZ LYS 72 2HZ LYS 72 0.478 -14.844 5.111 586 3HZ LYS 72 3HZ LYS 72 0.942 -14.209 3.669 587 H ILE 73 H ILE 73 -0.393 -9.851 7.601 588 HA ILE 73 HA ILE 73 -1.270 -7.180 8.306 589 HB ILE 73 HB ILE 73 -3.403 -8.352 8.392 590 1HG1 ILE 73 2HG1 ILE 73 -3.990 -8.075 10.845 591 2HG1 ILE 73 3HG1 ILE 73 -2.315 -7.598 11.125 592 1HG2 ILE 73 1HG2 ILE 73 -2.337 -10.283 10.471 593 2HG2 ILE 73 2HG2 ILE 73 -3.945 -10.200 9.756 594 3HG2 ILE 73 3HG2 ILE 73 -2.573 -10.677 8.756 595 1HD1 ILE 73 1HD1 ILE 73 -4.255 -6.269 9.172 596 2HD1 ILE 73 2HD1 ILE 73 -3.819 -5.664 10.781 597 3HD1 ILE 73 3HD1 ILE 73 -2.590 -5.744 9.509 598 H GLU 74 H GLU 74 1.126 -7.237 8.500 599 HA GLU 74 HA GLU 74 2.184 -9.114 10.534 600 1HB GLU 74 2HB GLU 74 3.252 -7.942 8.171 601 2HB GLU 74 3HB GLU 74 4.229 -7.349 9.522 602 1HG GLU 74 2HG GLU 74 4.708 -9.584 10.261 603 2HG GLU 74 3HG GLU 74 3.550 -10.286 9.114 604 H GLY 75 H GLY 75 0.659 -8.089 12.044 605 1HA GLY 75 1HA GLY 75 1.047 -5.492 13.155 606 2HA GLY 75 2HA GLY 75 0.339 -6.888 13.994 607 H ARG 76 H ARG 76 2.118 -4.880 15.263 608 HA ARG 76 HA ARG 76 4.089 -6.508 16.450 609 1HB ARG 76 2HB ARG 76 5.062 -5.817 14.043 610 2HB ARG 76 3HB ARG 76 5.174 -4.219 14.791 611 1HG ARG 76 2HG ARG 76 6.389 -5.579 16.735 612 2HG ARG 76 3HG ARG 76 6.578 -6.818 15.503 613 1HD ARG 76 2HD ARG 76 7.757 -5.281 14.029 614 2HD ARG 76 3HD ARG 76 7.433 -3.902 15.078 615 HE ARG 76 HE ARG 76 9.542 -5.848 15.339 616 1HH1 ARG 76 1HH2 ARG 76 7.341 -3.869 17.294 617 2HH1 ARG 76 2HH2 ARG 76 8.473 -3.585 18.573 618 1HH2 ARG 76 1HH1 ARG 76 11.024 -5.604 17.087 619 2HH2 ARG 76 2HH1 ARG 76 10.608 -4.659 18.480 Start of MODEL 28 1 1H GLY 1 1H GLY 1 1.672 -1.573 16.810 2 2H GLY 1 2H GLY 1 1.578 -0.554 18.121 3 3H GLY 1 3H GLY 1 0.415 -0.535 16.917 4 1HA GLY 1 1HA GLY 1 1.978 1.342 16.805 5 2HA GLY 1 2HA GLY 1 3.170 0.118 16.294 6 H GLU 2 H GLU 2 3.139 1.254 14.140 7 HA GLU 2 HA GLU 2 0.807 1.262 12.482 8 1HB GLU 2 2HB GLU 2 2.418 1.722 10.713 9 2HB GLU 2 3HB GLU 2 2.787 2.671 12.157 10 1HG GLU 2 2HG GLU 2 4.567 0.962 12.769 11 2HG GLU 2 3HG GLU 2 4.310 0.234 11.186 12 H VAL 3 H VAL 3 0.264 -0.261 10.751 13 HA VAL 3 HA VAL 3 1.244 -3.015 11.193 14 HB VAL 3 HB VAL 3 -0.838 -3.781 10.735 15 1HG1 VAL 3 1HG1 VAL 3 -2.091 -3.043 12.657 16 2HG1 VAL 3 2HG1 VAL 3 -0.367 -3.068 13.057 17 3HG1 VAL 3 3HG1 VAL 3 -1.177 -1.524 12.729 18 1HG2 VAL 3 1HG2 VAL 3 -2.827 -2.327 10.401 19 2HG2 VAL 3 2HG2 VAL 3 -1.693 -0.978 10.149 20 3HG2 VAL 3 3HG2 VAL 3 -1.667 -2.374 9.057 21 H VAL 4 H VAL 4 2.184 -4.027 9.473 22 HA VAL 4 HA VAL 4 2.568 -2.561 7.039 23 HB VAL 4 HB VAL 4 4.500 -3.233 7.868 24 1HG1 VAL 4 1HG1 VAL 4 3.932 -4.707 9.570 25 2HG1 VAL 4 2HG1 VAL 4 3.249 -5.897 8.427 26 3HG1 VAL 4 3HG1 VAL 4 5.007 -5.605 8.486 27 1HG2 VAL 4 1HG2 VAL 4 4.064 -3.806 5.436 28 2HG2 VAL 4 2HG2 VAL 4 5.395 -4.706 6.211 29 3HG2 VAL 4 3HG2 VAL 4 3.821 -5.490 5.966 30 H LEU 5 H LEU 5 0.933 -2.680 5.546 31 HA LEU 5 HA LEU 5 -0.661 -5.137 5.357 32 1HB LEU 5 2HB LEU 5 -1.395 -2.567 5.480 33 2HB LEU 5 3HB LEU 5 -1.164 -2.636 3.745 34 HG LEU 5 HG LEU 5 -3.469 -3.030 4.293 35 1HD1 LEU 5 1HD1 LEU 5 -2.654 -4.233 2.391 36 2HD1 LEU 5 2HD1 LEU 5 -2.164 -5.626 3.387 37 3HD1 LEU 5 3HD1 LEU 5 -3.875 -5.187 3.231 38 1HD2 LEU 5 1HD2 LEU 5 -4.315 -4.630 5.770 39 2HD2 LEU 5 2HD2 LEU 5 -2.831 -5.591 5.759 40 3HD2 LEU 5 3HD2 LEU 5 -2.872 -4.036 6.625 41 H LYS 6 H LYS 6 0.513 -6.639 4.183 42 HA LYS 6 HA LYS 6 2.034 -5.904 1.863 43 1HB LYS 6 2HB LYS 6 1.513 -8.273 3.624 44 2HB LYS 6 3HB LYS 6 1.772 -8.653 1.944 45 1HG LYS 6 2HG LYS 6 3.554 -6.780 3.531 46 2HG LYS 6 3HG LYS 6 3.847 -8.539 3.419 47 1HD LYS 6 2HD LYS 6 3.608 -7.947 0.769 48 2HD LYS 6 3HD LYS 6 4.105 -6.364 1.347 49 1HE LYS 6 2HE LYS 6 6.103 -7.457 0.670 50 2HE LYS 6 3HE LYS 6 6.136 -7.495 2.441 51 1HZ LYS 6 1HZ LYS 6 5.268 -9.697 0.663 52 2HZ LYS 6 2HZ LYS 6 6.739 -9.598 1.336 53 3HZ LYS 6 3HZ LYS 6 5.404 -9.816 2.293 54 H MET 7 H MET 7 1.114 -5.546 -0.042 55 HA MET 7 HA MET 7 -1.381 -7.001 -0.731 56 1HB MET 7 2HB MET 7 -0.890 -4.553 -2.257 57 2HB MET 7 3HB MET 7 -2.321 -5.189 -1.466 58 1HG MET 7 2HG MET 7 -1.366 -4.356 0.743 59 2HG MET 7 3HG MET 7 -0.053 -3.635 -0.142 60 1HE MET 7 1HE MET 7 -3.974 -3.657 -1.130 61 2HE MET 7 2HE MET 7 -3.919 -3.394 0.635 62 3HE MET 7 3HE MET 7 -4.408 -2.076 -0.448 63 H LYS 8 H LYS 8 -1.014 -8.440 -2.364 64 HA LYS 8 HA LYS 8 1.569 -8.282 -3.838 65 1HB LYS 8 2HB LYS 8 0.801 -10.423 -3.030 66 2HB LYS 8 3HB LYS 8 -0.636 -10.368 -4.044 67 1HG LYS 8 2HG LYS 8 2.203 -10.210 -5.098 68 2HG LYS 8 3HG LYS 8 1.292 -11.710 -4.870 69 1HD LYS 8 2HD LYS 8 -0.433 -10.152 -6.478 70 2HD LYS 8 3HD LYS 8 1.178 -9.699 -7.024 71 1HE LYS 8 2HE LYS 8 0.924 -11.489 -8.381 72 2HE LYS 8 3HE LYS 8 1.560 -12.378 -7.007 73 1HZ LYS 8 1HZ LYS 8 -1.209 -11.944 -7.855 74 2HZ LYS 8 2HZ LYS 8 -0.442 -13.388 -7.827 75 3HZ LYS 8 3HZ LYS 8 -0.873 -12.674 -6.391 76 H VAL 9 H VAL 9 1.732 -7.098 -5.699 77 HA VAL 9 HA VAL 9 -0.814 -6.103 -6.940 78 HB VAL 9 HB VAL 9 0.627 -4.223 -7.752 79 1HG1 VAL 9 1HG1 VAL 9 -0.896 -3.961 -5.846 80 2HG1 VAL 9 2HG1 VAL 9 0.368 -4.508 -4.726 81 3HG1 VAL 9 3HG1 VAL 9 0.564 -2.987 -5.620 82 1HG2 VAL 9 1HG2 VAL 9 2.861 -5.277 -7.404 83 2HG2 VAL 9 2HG2 VAL 9 2.732 -3.721 -6.574 84 3HG2 VAL 9 3HG2 VAL 9 2.597 -5.199 -5.643 85 H GLU 10 H GLU 10 -0.826 -5.966 -9.263 86 HA GLU 10 HA GLU 10 1.063 -7.904 -10.556 87 1HB GLU 10 2HB GLU 10 -1.623 -7.130 -11.590 88 2HB GLU 10 3HB GLU 10 -0.568 -8.435 -12.134 89 1HG GLU 10 2HG GLU 10 -1.851 -8.342 -9.361 90 2HG GLU 10 3HG GLU 10 -2.559 -9.128 -10.775 91 H GLY 11 H GLY 11 1.980 -7.170 -12.612 92 1HA GLY 11 1HA GLY 11 1.994 -5.934 -14.571 93 2HA GLY 11 2HA GLY 11 0.770 -4.840 -13.923 94 H MET 12 H MET 12 2.120 -3.926 -11.593 95 HA MET 12 HA MET 12 3.702 -1.828 -12.685 96 1HB MET 12 2HB MET 12 3.447 -2.791 -9.809 97 2HB MET 12 3HB MET 12 4.366 -1.366 -10.343 98 1HG MET 12 2HG MET 12 2.290 -0.504 -11.461 99 2HG MET 12 3HG MET 12 1.375 -1.781 -10.653 100 1HE MET 12 1HE MET 12 2.382 -1.928 -7.775 101 2HE MET 12 2HE MET 12 1.446 -0.661 -6.946 102 3HE MET 12 3HE MET 12 0.657 -1.689 -8.167 103 H THR 13 H THR 13 5.180 -2.852 -13.999 104 HA THR 13 HA THR 13 7.600 -4.009 -12.699 105 HB THR 13 HB THR 13 6.946 -4.191 -15.637 106 HG1 THR 13 1HG THR 13 5.099 -4.967 -14.681 107 1HG2 THR 13 1HG2 THR 13 8.328 -6.071 -13.670 108 2HG2 THR 13 2HG2 THR 13 8.159 -6.324 -15.420 109 3HG2 THR 13 3HG2 THR 13 9.164 -4.996 -14.812 110 H CYS 14 HN CYS 14 7.201 -1.119 -12.622 111 HA CYS 14 HA CYS 14 9.776 -0.468 -13.662 112 1HB CYS 14 2HB CYS 14 9.256 1.372 -15.045 113 2HB CYS 14 3HB CYS 14 8.279 0.045 -15.660 114 H HIS 15 H HIS 15 10.392 1.717 -12.806 115 HA HIS 15 HA HIS 15 9.470 1.848 -10.068 116 1HB HIS 15 2HB HIS 15 11.885 2.273 -11.194 117 2HB HIS 15 3HB HIS 15 11.321 3.946 -11.133 118 HD1 HIS 15 1HD HIS 15 11.876 0.911 -8.803 119 HD2 HIS 15 2HD HIS 15 11.449 5.095 -8.707 120 HE1 HIS 15 1HE HIS 15 12.317 1.634 -6.394 121 H SER 16 H SER 16 8.636 3.522 -13.027 122 HA SER 16 HA SER 16 7.870 6.008 -12.010 123 1HB SER 16 2HB SER 16 6.501 4.504 -14.276 124 2HB SER 16 3HB SER 16 6.611 6.254 -14.031 125 HG SER 16 HG SER 16 8.197 5.342 -15.521 126 H CYS 17 HN CYS 17 5.739 3.105 -12.583 127 HA CYS 17 HA CYS 17 3.421 4.222 -11.500 128 1HB CYS 17 2HB CYS 17 4.234 1.291 -11.301 129 2HB CYS 17 3HB CYS 17 2.610 1.985 -11.257 130 H THR 18 H THR 18 5.904 2.211 -9.846 131 HA THR 18 HA THR 18 4.608 2.152 -7.342 132 HB THR 18 HB THR 18 6.759 1.416 -6.464 133 HG1 THR 18 1HG THR 18 8.569 1.431 -7.738 134 1HG2 THR 18 1HG2 THR 18 6.456 0.204 -9.250 135 2HG2 THR 18 2HG2 THR 18 6.973 -0.592 -7.754 136 3HG2 THR 18 3HG2 THR 18 5.280 -0.106 -7.967 137 H SER 19 H SER 19 7.319 4.234 -8.443 138 HA SER 19 HA SER 19 7.463 5.858 -6.121 139 1HB SER 19 2HB SER 19 9.164 5.715 -7.931 140 2HB SER 19 3HB SER 19 8.089 6.631 -9.009 141 HG SER 19 HG SER 19 9.680 7.918 -7.873 142 H THR 20 H THR 20 5.478 6.395 -9.129 143 HA THR 20 HA THR 20 4.375 8.866 -8.301 144 HB THR 20 HB THR 20 3.220 6.648 -10.048 145 HG1 THR 20 1HG THR 20 4.768 8.975 -10.476 146 1HG2 THR 20 1HG2 THR 20 2.320 9.546 -9.709 147 2HG2 THR 20 2HG2 THR 20 1.799 8.453 -11.009 148 3HG2 THR 20 3HG2 THR 20 1.366 8.090 -9.333 149 H ILE 21 H ILE 21 3.207 5.461 -7.650 150 HA ILE 21 HA ILE 21 0.951 6.314 -6.131 151 HB ILE 21 HB ILE 21 2.517 3.803 -6.651 152 1HG1 ILE 21 2HG1 ILE 21 -0.469 4.204 -6.413 153 2HG1 ILE 21 3HG1 ILE 21 0.421 4.791 -7.817 154 1HG2 ILE 21 1HG2 ILE 21 2.395 3.698 -4.267 155 2HG2 ILE 21 2HG2 ILE 21 0.646 4.091 -4.318 156 3HG2 ILE 21 3HG2 ILE 21 1.250 2.554 -4.987 157 1HD1 ILE 21 1HD1 ILE 21 0.406 1.881 -6.921 158 2HD1 ILE 21 2HD1 ILE 21 -0.534 2.602 -8.234 159 3HD1 ILE 21 3HD1 ILE 21 1.235 2.574 -8.340 160 H GLU 22 H GLU 22 4.320 5.491 -5.176 161 HA GLU 22 HA GLU 22 3.918 5.870 -2.439 162 1HB GLU 22 2HB GLU 22 6.163 5.384 -4.201 163 2HB GLU 22 3HB GLU 22 6.647 6.632 -3.076 164 1HG GLU 22 2HG GLU 22 5.764 5.200 -1.203 165 2HG GLU 22 3HG GLU 22 5.294 3.978 -2.405 166 H GLY 23 H GLY 23 4.818 8.278 -4.886 167 1HA GLY 23 1HA GLY 23 4.978 10.565 -3.257 168 2HA GLY 23 2HA GLY 23 4.481 10.529 -4.957 169 H LYS 24 H LYS 24 2.110 9.187 -5.009 170 HA LYS 24 HA LYS 24 0.356 11.243 -4.113 171 1HB LYS 24 2HB LYS 24 0.138 9.413 -6.049 172 2HB LYS 24 3HB LYS 24 -0.648 8.468 -4.799 173 1HG LYS 24 2HG LYS 24 -2.428 9.533 -5.813 174 2HG LYS 24 3HG LYS 24 -2.147 10.584 -4.424 175 1HD LYS 24 2HD LYS 24 -0.867 12.160 -5.820 176 2HD LYS 24 3HD LYS 24 -0.958 11.091 -7.216 177 1HE LYS 24 2HE LYS 24 -3.385 12.370 -5.855 178 2HE LYS 24 3HE LYS 24 -2.538 13.066 -7.242 179 1HZ LYS 24 1HZ LYS 24 -3.906 10.458 -7.242 180 2HZ LYS 24 2HZ LYS 24 -4.441 11.841 -7.945 181 3HZ LYS 24 3HZ LYS 24 -3.086 11.110 -8.513 182 H ILE 25 H ILE 25 0.653 7.891 -3.061 183 HA ILE 25 HA ILE 25 -1.209 8.057 -0.938 184 HB ILE 25 HB ILE 25 0.943 6.029 -1.517 185 1HG1 ILE 25 2HG1 ILE 25 -0.659 6.170 -3.308 186 2HG1 ILE 25 3HG1 ILE 25 -0.725 4.633 -2.432 187 1HG2 ILE 25 1HG2 ILE 25 0.488 5.778 0.800 188 2HG2 ILE 25 2HG2 ILE 25 -1.233 6.050 0.553 189 3HG2 ILE 25 3HG2 ILE 25 -0.474 4.542 -0.027 190 1HD1 ILE 25 1HD1 ILE 25 -2.630 6.966 -2.174 191 2HD1 ILE 25 2HD1 ILE 25 -2.959 5.380 -2.907 192 3HD1 ILE 25 3HD1 ILE 25 -2.664 5.503 -1.156 193 H GLY 26 H GLY 26 2.315 8.593 -1.048 194 1HA GLY 26 1HA GLY 26 3.009 8.710 1.610 195 2HA GLY 26 2HA GLY 26 3.585 9.833 0.364 196 H LYS 27 H LYS 27 0.855 10.998 -0.154 197 HA LYS 27 HA LYS 27 1.016 12.968 1.920 198 1HB LYS 27 2HB LYS 27 0.736 13.216 -0.590 199 2HB LYS 27 3HB LYS 27 -0.995 12.890 -0.341 200 1HG LYS 27 2HG LYS 27 -1.081 14.821 1.210 201 2HG LYS 27 3HG LYS 27 0.685 14.990 1.065 202 1HD LYS 27 2HD LYS 27 0.394 15.469 -1.401 203 2HD LYS 27 3HD LYS 27 -1.352 15.341 -1.185 204 1HE LYS 27 2HE LYS 27 -0.734 17.692 -1.216 205 2HE LYS 27 3HE LYS 27 -1.323 17.263 0.395 206 1HZ LYS 27 1HZ LYS 27 1.517 17.506 -0.379 207 2HZ LYS 27 2HZ LYS 27 0.657 18.616 0.475 208 3HZ LYS 27 3HZ LYS 27 0.964 17.142 1.129 209 H LEU 28 H LEU 28 -0.665 9.968 1.973 210 HA LEU 28 HA LEU 28 -3.238 10.911 2.830 211 1HB LEU 28 2HB LEU 28 -1.878 8.250 3.214 212 2HB LEU 28 3HB LEU 28 -3.544 8.633 3.577 213 HG LEU 28 HG LEU 28 -2.326 8.092 0.941 214 1HD1 LEU 28 1HD1 LEU 28 -5.130 7.796 2.040 215 2HD1 LEU 28 2HD1 LEU 28 -4.467 7.005 0.590 216 3HD1 LEU 28 3HD1 LEU 28 -3.848 6.578 2.195 217 1HD2 LEU 28 1HD2 LEU 28 -4.039 9.295 -0.325 218 2HD2 LEU 28 2HD2 LEU 28 -4.626 10.080 1.150 219 3HD2 LEU 28 3HD2 LEU 28 -3.001 10.434 0.507 220 H GLN 29 H GLN 29 -4.075 11.209 4.764 221 HA GLN 29 HA GLN 29 -2.315 11.514 7.038 222 1HB GLN 29 2HB GLN 29 -4.238 12.541 8.115 223 2HB GLN 29 3HB GLN 29 -3.932 13.208 6.506 224 1HG GLN 29 2HG GLN 29 -5.744 11.134 5.986 225 2HG GLN 29 3HG GLN 29 -6.280 11.747 7.543 226 1HE2 GLN 29 2HE2 GLN 29 -6.286 12.291 4.114 227 2HE2 GLN 29 1HE2 GLN 29 -7.003 13.887 4.168 228 H GLY 30 H GLY 30 -1.654 9.377 7.435 229 1HA GLY 30 1HA GLY 30 -2.641 7.975 9.490 230 2HA GLY 30 2HA GLY 30 -3.717 7.378 8.241 231 H VAL 31 H VAL 31 -1.123 7.771 6.389 232 HA VAL 31 HA VAL 31 -0.194 5.055 6.870 233 HB VAL 31 HB VAL 31 0.502 7.179 4.773 234 1HG1 VAL 31 1HG1 VAL 31 2.422 5.650 5.007 235 2HG1 VAL 31 2HG1 VAL 31 1.336 4.248 4.846 236 3HG1 VAL 31 3HG1 VAL 31 1.574 5.362 3.487 237 1HG2 VAL 31 1HG2 VAL 31 -1.818 6.273 4.587 238 2HG2 VAL 31 2HG2 VAL 31 -0.805 5.758 3.234 239 3HG2 VAL 31 3HG2 VAL 31 -1.163 4.626 4.556 240 H GLN 32 H GLN 32 1.925 4.516 7.413 241 HA GLN 32 HA GLN 32 3.445 6.617 8.907 242 1HB GLN 32 2HB GLN 32 2.861 3.710 9.462 243 2HB GLN 32 3HB GLN 32 4.155 4.598 10.275 244 1HG GLN 32 2HG GLN 32 1.460 5.832 10.304 245 2HG GLN 32 3HG GLN 32 1.758 4.446 11.351 246 1HE2 GLN 32 2HE2 GLN 32 1.706 5.629 13.374 247 2HE2 GLN 32 1HE2 GLN 32 2.998 6.754 13.749 248 H ARG 33 H ARG 33 3.697 3.744 6.724 249 HA ARG 33 HA ARG 33 6.215 4.751 5.656 250 1HB ARG 33 2HB ARG 33 6.425 2.863 7.745 251 2HB ARG 33 3HB ARG 33 6.306 1.855 6.315 252 1HG ARG 33 2HG ARG 33 8.524 2.041 6.264 253 2HG ARG 33 3HG ARG 33 8.202 3.541 5.389 254 1HD ARG 33 2HD ARG 33 8.719 3.185 8.378 255 2HD ARG 33 3HD ARG 33 9.852 3.864 7.220 256 HE ARG 33 HE ARG 33 7.185 5.028 8.054 257 1HH1 ARG 33 1HH2 ARG 33 10.464 5.719 6.872 258 2HH1 ARG 33 2HH2 ARG 33 10.240 7.439 6.934 259 1HH2 ARG 33 1HH1 ARG 33 6.877 7.128 8.064 260 2HH2 ARG 33 2HH1 ARG 33 8.135 8.312 7.744 261 H ILE 34 H ILE 34 6.649 3.574 3.551 262 HA ILE 34 HA ILE 34 4.511 1.882 2.628 263 HB ILE 34 HB ILE 34 3.428 3.910 2.332 264 1HG1 ILE 34 2HG1 ILE 34 4.783 3.239 -0.304 265 2HG1 ILE 34 3HG1 ILE 34 3.588 2.213 0.442 266 1HG2 ILE 34 1HG2 ILE 34 5.185 5.562 2.623 267 2HG2 ILE 34 2HG2 ILE 34 5.900 5.137 1.059 268 3HG2 ILE 34 3HG2 ILE 34 4.296 5.892 1.147 269 1HD1 ILE 34 1HD1 ILE 34 3.098 5.077 -0.504 270 2HD1 ILE 34 2HD1 ILE 34 2.517 3.591 -1.271 271 3HD1 ILE 34 3HD1 ILE 34 1.923 4.056 0.337 272 H LYS 35 H LYS 35 5.589 0.366 1.389 273 HA LYS 35 HA LYS 35 7.642 1.367 -0.281 274 1HB LYS 35 2HB LYS 35 8.158 -0.746 1.773 275 2HB LYS 35 3HB LYS 35 8.970 -0.841 0.223 276 1HG LYS 35 2HG LYS 35 9.051 1.529 2.148 277 2HG LYS 35 3HG LYS 35 10.299 0.307 2.011 278 1HD LYS 35 2HD LYS 35 11.092 1.041 -0.036 279 2HD LYS 35 3HD LYS 35 9.573 1.795 -0.510 280 1HE LYS 35 2HE LYS 35 11.082 3.030 1.748 281 2HE LYS 35 3HE LYS 35 11.531 3.336 0.060 282 1HZ LYS 35 1HZ LYS 35 8.777 3.718 1.032 283 2HZ LYS 35 2HZ LYS 35 9.882 4.941 0.887 284 3HZ LYS 35 3HZ LYS 35 9.342 4.135 -0.419 285 H VAL 36 H VAL 36 6.914 1.226 -2.252 286 HA VAL 36 HA VAL 36 5.328 -1.199 -2.934 287 HB VAL 36 HB VAL 36 5.604 1.399 -4.437 288 1HG1 VAL 36 1HG1 VAL 36 3.644 0.561 -5.669 289 2HG1 VAL 36 2HG1 VAL 36 4.946 -0.636 -5.804 290 3HG1 VAL 36 3HG1 VAL 36 3.609 -0.913 -4.682 291 1HG2 VAL 36 1HG2 VAL 36 4.492 1.773 -2.277 292 2HG2 VAL 36 2HG2 VAL 36 3.278 1.753 -3.558 293 3HG2 VAL 36 3HG2 VAL 36 3.477 0.339 -2.512 294 H SER 37 H SER 37 6.655 -2.866 -3.359 295 HA SER 37 HA SER 37 9.160 -2.516 -4.832 296 1HB SER 37 2HB SER 37 7.918 -4.962 -3.684 297 2HB SER 37 3HB SER 37 9.602 -4.764 -4.199 298 HG SER 37 HG SER 37 9.144 -4.494 -1.859 299 H LEU 38 H LEU 38 9.370 -2.966 -6.959 300 HA LEU 38 HA LEU 38 7.039 -3.894 -8.507 301 1HB LEU 38 2HB LEU 38 8.590 -3.448 -10.448 302 2HB LEU 38 3HB LEU 38 7.932 -2.074 -9.572 303 HG LEU 38 HG LEU 38 10.655 -3.086 -8.773 304 1HD1 LEU 38 1HD1 LEU 38 10.785 -2.966 -11.210 305 2HD1 LEU 38 2HD1 LEU 38 10.077 -1.339 -11.184 306 3HD1 LEU 38 3HD1 LEU 38 11.682 -1.623 -10.475 307 1HD2 LEU 38 1HD2 LEU 38 9.390 -1.151 -7.562 308 2HD2 LEU 38 2HD2 LEU 38 11.016 -0.803 -8.153 309 3HD2 LEU 38 3HD2 LEU 38 9.583 -0.251 -9.058 310 H ASP 39 H ASP 39 10.416 -4.864 -7.753 311 HA ASP 39 HA ASP 39 10.830 -6.925 -9.474 312 1HB ASP 39 2HB ASP 39 11.641 -7.108 -6.540 313 2HB ASP 39 3HB ASP 39 12.490 -7.690 -7.957 314 H ASN 40 H ASN 40 9.619 -7.245 -6.140 315 HA ASN 40 HA ASN 40 8.844 -9.979 -6.638 316 1HB ASN 40 2HB ASN 40 9.915 -9.189 -4.517 317 2HB ASN 40 3HB ASN 40 8.328 -8.518 -4.103 318 1HD2 ASN 40 2HD2 ASN 40 7.219 -10.029 -2.609 319 2HD2 ASN 40 1HD2 ASN 40 7.389 -11.746 -2.849 320 H GLN 41 H GLN 41 7.449 -7.361 -7.730 321 HA GLN 41 HA GLN 41 5.642 -6.125 -7.553 322 1HB GLN 41 2HB GLN 41 5.599 -8.222 -9.270 323 2HB GLN 41 3HB GLN 41 4.013 -8.425 -8.548 324 1HG GLN 41 2HG GLN 41 3.307 -6.288 -9.409 325 2HG GLN 41 3HG GLN 41 4.948 -5.675 -9.493 326 1HE2 GLN 41 2HE2 GLN 41 5.826 -5.482 -11.403 327 2HE2 GLN 41 1HE2 GLN 41 5.387 -6.352 -12.858 328 H GLU 42 H GLU 42 5.751 -5.800 -5.313 329 HA GLU 42 HA GLU 42 3.346 -6.693 -3.866 330 1HB GLU 42 2HB GLU 42 6.062 -7.711 -3.346 331 2HB GLU 42 3HB GLU 42 5.400 -6.869 -1.945 332 1HG GLU 42 2HG GLU 42 3.318 -8.247 -2.126 333 2HG GLU 42 3HG GLU 42 4.090 -9.167 -3.429 334 H ALA 43 H ALA 43 2.638 -5.278 -2.403 335 HA ALA 43 HA ALA 43 4.047 -2.670 -2.156 336 1HB ALA 43 1HB ALA 43 2.030 -2.581 -3.501 337 2HB ALA 43 2HB ALA 43 1.103 -3.355 -2.207 338 3HB ALA 43 3HB ALA 43 1.778 -1.725 -1.962 339 H THR 44 H THR 44 4.867 -2.361 -0.239 340 HA THR 44 HA THR 44 3.839 -3.541 2.281 341 HB THR 44 HB THR 44 6.248 -1.711 1.596 342 HG1 THR 44 1HG THR 44 5.957 -4.538 1.560 343 1HG2 THR 44 1HG2 THR 44 5.830 -3.689 3.898 344 2HG2 THR 44 2HG2 THR 44 7.270 -2.699 3.602 345 3HG2 THR 44 3HG2 THR 44 5.746 -1.918 4.039 346 H ILE 45 H ILE 45 1.764 -2.262 2.196 347 HA ILE 45 HA ILE 45 2.138 0.697 2.474 348 HB ILE 45 HB ILE 45 -0.307 -1.090 2.269 349 1HG1 ILE 45 2HG1 ILE 45 1.018 -0.654 0.154 350 2HG1 ILE 45 3HG1 ILE 45 -0.677 -0.154 0.132 351 1HG2 ILE 45 1HG2 ILE 45 -0.110 1.910 2.720 352 2HG2 ILE 45 2HG2 ILE 45 -1.562 1.078 2.106 353 3HG2 ILE 45 3HG2 ILE 45 -0.952 0.716 3.724 354 1HD1 ILE 45 1HD1 ILE 45 1.501 1.822 0.713 355 2HD1 ILE 45 2HD1 ILE 45 0.917 1.468 -0.925 356 3HD1 ILE 45 3HD1 ILE 45 -0.185 2.136 0.291 357 H VAL 46 H VAL 46 2.930 1.226 4.512 358 HA VAL 46 HA VAL 46 1.981 -0.459 6.770 359 HB VAL 46 HB VAL 46 4.247 1.484 6.940 360 1HG1 VAL 46 1HG1 VAL 46 3.308 0.573 9.006 361 2HG1 VAL 46 2HG1 VAL 46 3.589 -1.077 8.438 362 3HG1 VAL 46 3HG1 VAL 46 4.963 -0.005 8.732 363 1HG2 VAL 46 1HG2 VAL 46 4.906 0.069 5.076 364 2HG2 VAL 46 2HG2 VAL 46 5.757 -0.508 6.515 365 3HG2 VAL 46 3HG2 VAL 46 4.334 -1.387 5.923 366 H TYR 47 H TYR 47 0.220 0.362 7.807 367 HA TYR 47 HA TYR 47 0.030 3.329 8.068 368 1HB TYR 47 2HB TYR 47 -2.149 3.435 7.206 369 2HB TYR 47 3HB TYR 47 -1.261 2.475 6.038 370 HD1 TYR 47 1HD TYR 47 -4.003 2.521 8.488 371 HD2 TYR 47 2HD TYR 47 -1.643 -0.018 5.919 372 HE1 TYR 47 1HE TYR 47 -5.663 0.720 8.740 373 HE2 TYR 47 2HE TYR 47 -3.329 -1.824 6.223 374 HH TYR 47 HH TYR 47 -6.053 -1.535 8.480 375 H GLN 48 H GLN 48 -1.914 3.964 9.378 376 HA GLN 48 HA GLN 48 -1.616 2.522 11.928 377 1HB GLN 48 2HB GLN 48 -0.865 4.834 11.564 378 2HB GLN 48 3HB GLN 48 -2.521 5.348 11.320 379 1HG GLN 48 2HG GLN 48 -3.123 4.958 13.594 380 2HG GLN 48 3HG GLN 48 -1.898 3.706 13.804 381 1HE2 GLN 48 2HE2 GLN 48 -2.538 7.052 14.339 382 2HE2 GLN 48 1HE2 GLN 48 -0.917 7.450 14.877 383 HA PRO 49 HA PRO 49 -5.843 1.251 10.867 384 1HB PRO 49 2HB PRO 49 -6.225 -0.746 12.658 385 2HB PRO 49 3HB PRO 49 -5.040 -0.880 11.330 386 1HG PRO 49 2HG PRO 49 -4.491 -0.019 14.186 387 2HG PRO 49 3HG PRO 49 -3.665 -1.307 13.264 388 1HD PRO 49 2HD PRO 49 -2.648 1.202 13.426 389 2HD PRO 49 3HD PRO 49 -2.548 0.295 11.888 390 H HIS 50 H HIS 50 -6.302 3.427 11.517 391 HA HIS 50 HA HIS 50 -8.605 3.636 13.129 392 1HB HIS 50 2HB HIS 50 -6.016 4.345 14.501 393 2HB HIS 50 3HB HIS 50 -7.318 5.524 14.627 394 HD1 HIS 50 1HD HIS 50 -9.829 4.207 15.349 395 HD2 HIS 50 2HD HIS 50 -6.082 2.743 16.588 396 HE1 HIS 50 1HE HIS 50 -10.248 2.788 17.430 397 H LEU 51 H LEU 51 -5.762 5.228 11.638 398 HA LEU 51 HA LEU 51 -7.253 7.711 11.231 399 1HB LEU 51 2HB LEU 51 -4.555 6.823 10.385 400 2HB LEU 51 3HB LEU 51 -5.203 8.433 10.067 401 HG LEU 51 HG LEU 51 -4.878 7.253 12.868 402 1HD1 LEU 51 1HD1 LEU 51 -2.987 8.846 13.105 403 2HD1 LEU 51 2HD1 LEU 51 -2.670 7.656 11.834 404 3HD1 LEU 51 3HD1 LEU 51 -3.165 9.309 11.405 405 1HD2 LEU 51 1HD2 LEU 51 -5.601 10.058 11.915 406 2HD2 LEU 51 2HD2 LEU 51 -6.620 8.966 12.881 407 3HD2 LEU 51 3HD2 LEU 51 -5.160 9.650 13.585 408 H ILE 52 H ILE 52 -6.040 5.027 9.111 409 HA ILE 52 HA ILE 52 -7.869 5.943 7.006 410 HB ILE 52 HB ILE 52 -5.250 6.629 6.962 411 1HG1 ILE 52 2HG1 ILE 52 -5.375 6.340 4.431 412 2HG1 ILE 52 3HG1 ILE 52 -7.016 5.718 4.784 413 1HG2 ILE 52 1HG2 ILE 52 -3.860 5.108 5.740 414 2HG2 ILE 52 2HG2 ILE 52 -4.446 4.290 7.184 415 3HG2 ILE 52 3HG2 ILE 52 -5.171 3.913 5.576 416 1HD1 ILE 52 1HD1 ILE 52 -5.847 8.457 5.520 417 2HD1 ILE 52 2HD1 ILE 52 -7.044 8.158 4.248 418 3HD1 ILE 52 3HD1 ILE 52 -7.485 7.927 5.951 419 H SER 53 H SER 53 -8.610 4.222 5.684 420 HA SER 53 HA SER 53 -8.549 1.613 7.091 421 1HB SER 53 2HB SER 53 -10.612 1.197 5.868 422 2HB SER 53 3HB SER 53 -10.693 2.785 6.650 423 HG SER 53 HG SER 53 -10.299 3.769 4.723 424 H VAL 54 H VAL 54 -8.456 -0.380 5.925 425 HA VAL 54 HA VAL 54 -6.602 -0.783 3.840 426 HB VAL 54 HB VAL 54 -9.085 -2.309 4.665 427 1HG1 VAL 54 1HG1 VAL 54 -8.674 -2.893 2.328 428 2HG1 VAL 54 2HG1 VAL 54 -6.938 -3.100 2.664 429 3HG1 VAL 54 3HG1 VAL 54 -8.148 -4.210 3.371 430 1HG2 VAL 54 1HG2 VAL 54 -6.108 -2.808 5.111 431 2HG2 VAL 54 2HG2 VAL 54 -7.300 -2.309 6.341 432 3HG2 VAL 54 3HG2 VAL 54 -7.409 -3.910 5.595 433 H GLU 55 H GLU 55 -10.100 0.006 3.744 434 HA GLU 55 HA GLU 55 -10.410 -0.500 0.971 435 1HB GLU 55 2HB GLU 55 -12.124 -0.138 2.947 436 2HB GLU 55 3HB GLU 55 -12.129 1.511 2.298 437 1HG GLU 55 2HG GLU 55 -12.726 -1.049 0.785 438 2HG GLU 55 3HG GLU 55 -13.935 0.094 1.377 439 H GLU 56 H GLU 56 -9.862 2.640 2.751 440 HA GLU 56 HA GLU 56 -9.549 4.351 0.602 441 1HB GLU 56 2HB GLU 56 -8.427 4.155 3.392 442 2HB GLU 56 3HB GLU 56 -7.827 5.395 2.339 443 1HG GLU 56 2HG GLU 56 -9.924 6.330 2.127 444 2HG GLU 56 3HG GLU 56 -10.806 4.942 2.787 445 H MET 57 H MET 57 -6.845 2.382 2.214 446 HA MET 57 HA MET 57 -4.929 2.932 0.404 447 1HB MET 57 2HB MET 57 -5.398 0.286 1.648 448 2HB MET 57 3HB MET 57 -3.939 0.890 0.904 449 1HG MET 57 2HG MET 57 -5.227 1.726 3.430 450 2HG MET 57 3HG MET 57 -3.565 1.250 3.172 451 1HE MET 57 1HE MET 57 -1.665 3.564 2.112 452 2HE MET 57 2HE MET 57 -2.717 2.870 0.853 453 3HE MET 57 3HE MET 57 -2.703 4.615 1.119 454 H LYS 58 H LYS 58 -7.136 0.088 0.038 455 HA LYS 58 HA LYS 58 -6.215 -0.578 -2.586 456 1HB LYS 58 2HB LYS 58 -7.117 -2.288 -1.817 457 2HB LYS 58 3HB LYS 58 -8.399 -1.470 -0.811 458 1HG LYS 58 2HG LYS 58 -9.702 -1.199 -2.884 459 2HG LYS 58 3HG LYS 58 -8.454 -2.039 -3.826 460 1HD LYS 58 2HD LYS 58 -8.953 -4.117 -2.911 461 2HD LYS 58 3HD LYS 58 -9.480 -3.434 -1.371 462 1HE LYS 58 2HE LYS 58 -11.386 -4.398 -2.454 463 2HE LYS 58 3HE LYS 58 -11.594 -2.641 -2.366 464 1HZ LYS 58 1HZ LYS 58 -10.566 -3.997 -4.806 465 2HZ LYS 58 2HZ LYS 58 -12.176 -3.675 -4.554 466 3HZ LYS 58 3HZ LYS 58 -11.042 -2.502 -4.713 467 H LYS 59 H LYS 59 -9.328 0.970 -1.777 468 HA LYS 59 HA LYS 59 -10.288 1.607 -4.207 469 1HB LYS 59 2HB LYS 59 -11.075 2.152 -1.817 470 2HB LYS 59 3HB LYS 59 -10.265 3.696 -2.009 471 1HG LYS 59 2HG LYS 59 -12.389 2.534 -3.872 472 2HG LYS 59 3HG LYS 59 -12.772 3.517 -2.470 473 1HD LYS 59 2HD LYS 59 -12.285 5.462 -3.478 474 2HD LYS 59 3HD LYS 59 -10.763 4.871 -4.144 475 1HE LYS 59 2HE LYS 59 -12.008 3.678 -5.957 476 2HE LYS 59 3HE LYS 59 -13.532 4.330 -5.318 477 1HZ LYS 59 1HZ LYS 59 -11.276 5.908 -6.371 478 2HZ LYS 59 2HZ LYS 59 -12.699 5.625 -7.144 479 3HZ LYS 59 3HZ LYS 59 -12.679 6.538 -5.775 480 H GLN 60 H GLN 60 -7.829 3.618 -2.402 481 HA GLN 60 HA GLN 60 -7.511 5.380 -4.697 482 1HB GLN 60 2HB GLN 60 -5.752 4.831 -2.308 483 2HB GLN 60 3HB GLN 60 -5.411 6.051 -3.549 484 1HG GLN 60 2HG GLN 60 -7.718 7.043 -3.131 485 2HG GLN 60 3HG GLN 60 -7.860 5.985 -1.723 486 1HE2 GLN 60 2HE2 GLN 60 -7.838 7.621 -0.111 487 2HE2 GLN 60 1HE2 GLN 60 -6.473 8.700 0.103 488 H ILE 61 H ILE 61 -5.628 2.478 -3.648 489 HA ILE 61 HA ILE 61 -3.642 2.835 -5.716 490 HB ILE 61 HB ILE 61 -4.307 0.466 -3.977 491 1HG1 ILE 61 2HG1 ILE 61 -2.102 2.600 -4.031 492 2HG1 ILE 61 3HG1 ILE 61 -3.425 2.576 -2.900 493 1HG2 ILE 61 1HG2 ILE 61 -2.123 -0.439 -4.805 494 2HG2 ILE 61 2HG2 ILE 61 -3.288 -0.321 -6.108 495 3HG2 ILE 61 3HG2 ILE 61 -2.019 0.911 -5.961 496 1HD1 ILE 61 1HD1 ILE 61 -1.182 0.562 -3.068 497 2HD1 ILE 61 2HD1 ILE 61 -1.573 1.691 -1.758 498 3HD1 ILE 61 3HD1 ILE 61 -2.660 0.322 -2.091 499 H GLU 62 H GLU 62 -6.296 0.312 -5.456 500 HA GLU 62 HA GLU 62 -6.273 -0.618 -8.047 501 1HB GLU 62 2HB GLU 62 -8.034 -0.597 -5.717 502 2HB GLU 62 3HB GLU 62 -8.975 -0.091 -7.075 503 1HG GLU 62 2HG GLU 62 -8.320 -2.187 -8.230 504 2HG GLU 62 3HG GLU 62 -7.294 -2.633 -6.854 505 H ALA 63 H ALA 63 -7.804 2.494 -6.902 506 HA ALA 63 HA ALA 63 -9.145 3.035 -9.316 507 1HB ALA 63 1HB ALA 63 -9.568 4.395 -7.395 508 2HB ALA 63 2HB ALA 63 -7.857 4.919 -7.334 509 3HB ALA 63 3HB ALA 63 -8.917 5.450 -8.657 510 H MET 64 H MET 64 -5.647 3.368 -8.639 511 HA MET 64 HA MET 64 -4.958 4.987 -10.881 512 1HB MET 64 2HB MET 64 -3.432 2.705 -9.610 513 2HB MET 64 3HB MET 64 -2.802 3.937 -10.693 514 1HG MET 64 2HG MET 64 -3.859 4.430 -7.887 515 2HG MET 64 3HG MET 64 -2.191 4.404 -8.440 516 1HE MET 64 1HE MET 64 -2.344 8.114 -7.612 517 2HE MET 64 2HE MET 64 -3.038 6.757 -6.684 518 3HE MET 64 3HE MET 64 -1.437 6.603 -7.452 519 H GLY 65 H GLY 65 -5.569 1.484 -10.464 520 1HA GLY 65 1HA GLY 65 -6.760 0.629 -12.557 521 2HA GLY 65 2HA GLY 65 -5.225 0.955 -13.384 522 H PHE 66 H PHE 66 -3.939 0.217 -10.597 523 HA PHE 66 HA PHE 66 -3.152 -2.355 -11.583 524 1HB PHE 66 2HB PHE 66 -2.471 -0.884 -9.043 525 2HB PHE 66 3HB PHE 66 -1.536 -2.231 -9.727 526 HD1 PHE 66 1HD PHE 66 -1.743 1.247 -9.426 527 HD2 PHE 66 2HD PHE 66 -0.815 -1.779 -12.340 528 HE1 PHE 66 1HE PHE 66 -0.602 2.957 -10.833 529 HE2 PHE 66 2HE PHE 66 0.295 -0.062 -13.758 530 HZ PHE 66 HZ PHE 66 0.322 2.310 -13.035 531 HA PRO 67 HA PRO 67 -6.110 -4.421 -8.742 532 1HB PRO 67 2HB PRO 67 -5.614 -7.023 -9.396 533 2HB PRO 67 3HB PRO 67 -6.561 -5.935 -10.456 534 1HG PRO 67 2HG PRO 67 -3.628 -6.625 -10.654 535 2HG PRO 67 3HG PRO 67 -4.835 -6.659 -11.971 536 1HD PRO 67 2HD PRO 67 -3.150 -4.554 -11.565 537 2HD PRO 67 3HD PRO 67 -4.826 -4.285 -12.138 538 H ALA 68 H ALA 68 -5.691 -5.133 -6.634 539 HA ALA 68 HA ALA 68 -2.935 -6.018 -5.975 540 1HB ALA 68 1HB ALA 68 -4.462 -3.937 -4.384 541 2HB ALA 68 2HB ALA 68 -2.860 -4.653 -4.055 542 3HB ALA 68 3HB ALA 68 -3.101 -3.587 -5.473 543 H PHE 69 H PHE 69 -2.847 -7.625 -4.636 544 HA PHE 69 HA PHE 69 -5.325 -8.754 -3.368 545 1HB PHE 69 2HB PHE 69 -2.646 -9.835 -4.017 546 2HB PHE 69 3HB PHE 69 -3.743 -10.673 -2.933 547 HD1 PHE 69 1HD PHE 69 -3.297 -9.479 -6.467 548 HD2 PHE 69 2HD PHE 69 -5.570 -11.983 -3.777 549 HE1 PHE 69 1HE PHE 69 -4.326 -10.627 -8.399 550 HE2 PHE 69 2HE PHE 69 -6.609 -13.114 -5.717 551 HZ PHE 69 HZ PHE 69 -6.003 -12.434 -8.031 552 H VAL 70 H VAL 70 -5.354 -6.956 -1.989 553 HA VAL 70 HA VAL 70 -3.737 -6.455 0.247 554 HB VAL 70 HB VAL 70 -5.504 -5.151 0.375 555 1HG1 VAL 70 1HG1 VAL 70 -7.252 -7.410 -0.592 556 2HG1 VAL 70 2HG1 VAL 70 -7.883 -5.845 -0.020 557 3HG1 VAL 70 3HG1 VAL 70 -6.821 -5.892 -1.430 558 1HG2 VAL 70 1HG2 VAL 70 -5.376 -6.568 2.540 559 2HG2 VAL 70 2HG2 VAL 70 -6.832 -5.616 2.239 560 3HG2 VAL 70 3HG2 VAL 70 -6.849 -7.358 1.956 561 H LYS 71 H LYS 71 -2.584 -8.022 1.297 562 HA LYS 71 HA LYS 71 -3.917 -10.468 2.165 563 1HB LYS 71 2HB LYS 71 -1.609 -10.210 0.790 564 2HB LYS 71 3HB LYS 71 -0.939 -9.951 2.395 565 1HG LYS 71 2HG LYS 71 -1.303 -12.156 3.026 566 2HG LYS 71 3HG LYS 71 -2.766 -12.316 2.020 567 1HD LYS 71 2HD LYS 71 -1.334 -12.315 -0.037 568 2HD LYS 71 3HD LYS 71 0.099 -12.185 0.984 569 1HE LYS 71 2HE LYS 71 -0.193 -14.486 0.256 570 2HE LYS 71 3HE LYS 71 -0.394 -14.386 2.010 571 1HZ LYS 71 1HZ LYS 71 -2.600 -14.502 0.047 572 2HZ LYS 71 2HZ LYS 71 -2.055 -15.769 0.938 573 3HZ LYS 71 3HZ LYS 71 -2.767 -14.494 1.685 574 H LYS 72 H LYS 72 -2.498 -10.888 4.272 575 HA LYS 72 HA LYS 72 -3.720 -8.977 6.189 576 1HB LYS 72 2HB LYS 72 -4.155 -11.534 6.128 577 2HB LYS 72 3HB LYS 72 -2.594 -11.713 6.924 578 1HG LYS 72 2HG LYS 72 -4.621 -9.785 8.094 579 2HG LYS 72 3HG LYS 72 -4.983 -11.511 8.173 580 1HD LYS 72 2HD LYS 72 -3.022 -12.018 9.464 581 2HD LYS 72 3HD LYS 72 -2.322 -10.451 9.159 582 1HE LYS 72 2HE LYS 72 -3.109 -10.414 11.403 583 2HE LYS 72 3HE LYS 72 -4.125 -9.327 10.454 584 1HZ LYS 72 1HZ LYS 72 -4.824 -12.076 11.270 585 2HZ LYS 72 2HZ LYS 72 -5.422 -10.690 11.920 586 3HZ LYS 72 3HZ LYS 72 -5.785 -11.087 10.368 587 H ILE 73 H ILE 73 -2.462 -8.434 8.166 588 HA ILE 73 HA ILE 73 0.155 -7.491 7.432 589 HB ILE 73 HB ILE 73 -1.456 -7.459 10.012 590 1HG1 ILE 73 2HG1 ILE 73 -0.841 -4.877 8.723 591 2HG1 ILE 73 3HG1 ILE 73 -1.670 -5.959 7.624 592 1HG2 ILE 73 1HG2 ILE 73 0.898 -7.321 10.674 593 2HG2 ILE 73 2HG2 ILE 73 1.178 -6.042 9.475 594 3HG2 ILE 73 3HG2 ILE 73 0.123 -5.762 10.875 595 1HD1 ILE 73 1HD1 ILE 73 -2.671 -5.313 10.426 596 2HD1 ILE 73 2HD1 ILE 73 -3.267 -4.576 8.925 597 3HD1 ILE 73 3HD1 ILE 73 -3.495 -6.312 9.208 598 H GLU 74 H GLU 74 2.124 -8.269 7.935 599 HA GLU 74 HA GLU 74 2.298 -10.803 9.508 600 1HB GLU 74 2HB GLU 74 2.924 -10.717 7.013 601 2HB GLU 74 3HB GLU 74 4.341 -9.784 7.515 602 1HG GLU 74 2HG GLU 74 4.979 -11.674 9.037 603 2HG GLU 74 3HG GLU 74 3.560 -12.580 8.475 604 H GLY 75 H GLY 75 2.713 -10.158 11.584 605 1HA GLY 75 1HA GLY 75 5.112 -9.367 12.597 606 2HA GLY 75 2HA GLY 75 4.279 -7.824 12.276 607 H ARG 76 H ARG 76 4.793 -8.535 15.012 608 HA ARG 76 HA ARG 76 2.250 -8.299 16.091 609 1HB ARG 76 2HB ARG 76 2.487 -10.952 15.597 610 2HB ARG 76 3HB ARG 76 3.567 -10.868 16.994 611 1HG ARG 76 2HG ARG 76 1.564 -9.530 18.090 612 2HG ARG 76 3HG ARG 76 0.605 -10.199 16.776 613 1HD ARG 76 2HD ARG 76 1.193 -12.485 17.446 614 2HD ARG 76 3HD ARG 76 2.290 -11.900 18.695 615 HE ARG 76 HE ARG 76 -0.578 -12.170 18.850 616 1HH1 ARG 76 1HH2 ARG 76 2.080 -10.119 19.980 617 2HH1 ARG 76 2HH2 ARG 76 1.338 -9.709 21.490 618 1HH2 ARG 76 1HH1 ARG 76 -1.651 -11.542 20.791 619 2HH2 ARG 76 2HH1 ARG 76 -0.873 -10.497 21.934 Start of MODEL 29 1 1H GLY 1 1H GLY 1 5.146 1.069 14.627 2 2H GLY 1 2H GLY 1 5.794 0.224 15.891 3 3H GLY 1 3H GLY 1 5.192 -0.561 14.602 4 1HA GLY 1 1HA GLY 1 3.666 -0.731 16.457 5 2HA GLY 1 2HA GLY 1 3.556 1.040 16.458 6 H GLU 2 H GLU 2 3.527 1.565 13.740 7 HA GLU 2 HA GLU 2 0.975 1.221 12.709 8 1HB GLU 2 2HB GLU 2 2.154 1.827 10.585 9 2HB GLU 2 3HB GLU 2 2.504 2.892 11.950 10 1HG GLU 2 2HG GLU 2 4.454 0.649 11.441 11 2HG GLU 2 3HG GLU 2 4.427 2.023 10.339 12 H VAL 3 H VAL 3 0.224 -0.108 10.865 13 HA VAL 3 HA VAL 3 1.263 -2.862 11.058 14 HB VAL 3 HB VAL 3 -0.827 -3.634 10.620 15 1HG1 VAL 3 1HG1 VAL 3 -2.044 -2.977 12.621 16 2HG1 VAL 3 2HG1 VAL 3 -0.309 -3.073 12.966 17 3HG1 VAL 3 3HG1 VAL 3 -1.082 -1.489 12.759 18 1HG2 VAL 3 1HG2 VAL 3 -1.689 -0.795 10.197 19 2HG2 VAL 3 2HG2 VAL 3 -1.705 -2.158 9.063 20 3HG2 VAL 3 3HG2 VAL 3 -2.831 -2.144 10.433 21 H VAL 4 H VAL 4 2.007 -3.828 9.259 22 HA VAL 4 HA VAL 4 2.127 -2.324 6.774 23 HB VAL 4 HB VAL 4 4.163 -2.792 7.458 24 1HG1 VAL 4 1HG1 VAL 4 4.909 -5.127 8.158 25 2HG1 VAL 4 2HG1 VAL 4 4.001 -4.085 9.285 26 3HG1 VAL 4 3HG1 VAL 4 3.148 -5.340 8.362 27 1HG2 VAL 4 1HG2 VAL 4 5.059 -4.435 5.884 28 2HG2 VAL 4 2HG2 VAL 4 3.477 -5.222 5.747 29 3HG2 VAL 4 3HG2 VAL 4 3.700 -3.582 5.090 30 H LEU 5 H LEU 5 0.696 -2.704 5.251 31 HA LEU 5 HA LEU 5 -0.798 -5.273 5.097 32 1HB LEU 5 2HB LEU 5 -1.060 -2.627 3.609 33 2HB LEU 5 3HB LEU 5 -1.983 -4.080 3.230 34 HG LEU 5 HG LEU 5 -2.060 -2.577 5.860 35 1HD1 LEU 5 1HD1 LEU 5 -4.020 -2.688 3.518 36 2HD1 LEU 5 2HD1 LEU 5 -4.335 -1.865 5.056 37 3HD1 LEU 5 3HD1 LEU 5 -3.028 -1.303 4.001 38 1HD2 LEU 5 1HD2 LEU 5 -2.649 -4.879 6.309 39 2HD2 LEU 5 2HD2 LEU 5 -4.161 -3.978 6.237 40 3HD2 LEU 5 3HD2 LEU 5 -3.668 -4.969 4.853 41 H LYS 6 H LYS 6 -0.014 -6.736 3.725 42 HA LYS 6 HA LYS 6 2.065 -5.947 1.731 43 1HB LYS 6 2HB LYS 6 2.059 -7.979 3.759 44 2HB LYS 6 3HB LYS 6 1.755 -8.755 2.213 45 1HG LYS 6 2HG LYS 6 3.990 -8.898 2.309 46 2HG LYS 6 3HG LYS 6 3.839 -7.407 1.388 47 1HD LYS 6 2HD LYS 6 4.676 -6.102 3.072 48 2HD LYS 6 3HD LYS 6 3.983 -7.065 4.384 49 1HE LYS 6 2HE LYS 6 6.202 -8.207 2.658 50 2HE LYS 6 3HE LYS 6 6.590 -7.104 3.983 51 1HZ LYS 6 1HZ LYS 6 4.887 -9.424 4.637 52 2HZ LYS 6 2HZ LYS 6 6.522 -9.600 4.486 53 3HZ LYS 6 3HZ LYS 6 5.836 -8.589 5.569 54 H MET 7 H MET 7 0.950 -5.599 -0.143 55 HA MET 7 HA MET 7 -1.244 -7.462 -0.874 56 1HB MET 7 2HB MET 7 -2.175 -5.541 -2.194 57 2HB MET 7 3HB MET 7 -2.213 -5.239 -0.445 58 1HG MET 7 2HG MET 7 -0.426 -3.891 -0.411 59 2HG MET 7 3HG MET 7 -0.033 -4.205 -2.120 60 1HE MET 7 1HE MET 7 -2.055 -2.218 0.435 61 2HE MET 7 2HE MET 7 -3.245 -1.323 -0.539 62 3HE MET 7 3HE MET 7 -3.452 -3.057 -0.267 63 H LYS 8 H LYS 8 -1.256 -8.187 -3.008 64 HA LYS 8 HA LYS 8 1.278 -7.635 -4.521 65 1HB LYS 8 2HB LYS 8 -0.573 -10.025 -4.666 66 2HB LYS 8 3HB LYS 8 0.685 -9.619 -5.838 67 1HG LYS 8 2HG LYS 8 2.156 -10.592 -4.540 68 2HG LYS 8 3HG LYS 8 2.090 -9.215 -3.499 69 1HD LYS 8 2HD LYS 8 1.371 -10.332 -1.816 70 2HD LYS 8 3HD LYS 8 -0.118 -10.720 -2.646 71 1HE LYS 8 2HE LYS 8 2.511 -12.300 -2.595 72 2HE LYS 8 3HE LYS 8 0.956 -12.825 -1.934 73 1HZ LYS 8 1HZ LYS 8 1.637 -12.486 -4.789 74 2HZ LYS 8 2HZ LYS 8 1.374 -13.904 -4.020 75 3HZ LYS 8 3HZ LYS 8 0.131 -12.841 -4.259 76 H VAL 9 H VAL 9 1.164 -6.416 -6.294 77 HA VAL 9 HA VAL 9 -1.522 -5.866 -7.401 78 HB VAL 9 HB VAL 9 -1.084 -4.289 -5.627 79 1HG1 VAL 9 1HG1 VAL 9 1.309 -3.253 -7.173 80 2HG1 VAL 9 2HG1 VAL 9 0.684 -2.694 -5.619 81 3HG1 VAL 9 3HG1 VAL 9 1.455 -4.287 -5.729 82 1HG2 VAL 9 1HG2 VAL 9 -0.749 -2.941 -8.306 83 2HG2 VAL 9 2HG2 VAL 9 -2.302 -3.522 -7.655 84 3HG2 VAL 9 3HG2 VAL 9 -1.432 -2.216 -6.836 85 H GLU 10 H GLU 10 -1.269 -6.881 -9.341 86 HA GLU 10 HA GLU 10 1.250 -6.920 -10.621 87 1HB GLU 10 2HB GLU 10 -1.466 -7.472 -11.807 88 2HB GLU 10 3HB GLU 10 0.086 -7.956 -12.497 89 1HG GLU 10 2HG GLU 10 -0.417 -9.913 -11.432 90 2HG GLU 10 3HG GLU 10 0.272 -9.032 -10.062 91 H GLY 11 H GLY 11 2.084 -5.849 -12.329 92 1HA GLY 11 1HA GLY 11 1.615 -4.505 -14.363 93 2HA GLY 11 2HA GLY 11 0.681 -3.390 -13.364 94 H MET 12 H MET 12 2.368 -3.110 -11.107 95 HA MET 12 HA MET 12 4.082 -1.095 -12.268 96 1HB MET 12 2HB MET 12 3.768 -1.965 -9.384 97 2HB MET 12 3HB MET 12 4.689 -0.580 -10.009 98 1HG MET 12 2HG MET 12 2.835 0.666 -9.883 99 2HG MET 12 3HG MET 12 2.154 -0.283 -11.204 100 1HE MET 12 1HE MET 12 2.829 -1.296 -7.377 101 2HE MET 12 2HE MET 12 2.397 0.427 -7.461 102 3HE MET 12 3HE MET 12 1.278 -0.727 -6.715 103 H THR 13 H THR 13 5.375 -2.446 -13.536 104 HA THR 13 HA THR 13 7.670 -3.773 -12.174 105 HB THR 13 HB THR 13 6.983 -3.896 -15.105 106 HG1 THR 13 1HG THR 13 5.590 -5.531 -14.657 107 1HG2 THR 13 1HG2 THR 13 8.255 -5.904 -13.180 108 2HG2 THR 13 2HG2 THR 13 7.961 -6.171 -14.910 109 3HG2 THR 13 3HG2 THR 13 9.139 -4.958 -14.394 110 H CYS 14 HN CYS 14 7.519 -0.792 -12.271 111 HA CYS 14 HA CYS 14 10.211 -0.441 -13.166 112 1HB CYS 14 2HB CYS 14 9.926 1.349 -14.687 113 2HB CYS 14 3HB CYS 14 8.914 0.043 -15.295 114 H HIS 15 H HIS 15 10.987 1.698 -12.349 115 HA HIS 15 HA HIS 15 9.848 2.025 -9.729 116 1HB HIS 15 2HB HIS 15 12.299 1.940 -10.312 117 2HB HIS 15 3HB HIS 15 12.150 3.613 -10.865 118 HD1 HIS 15 1HD HIS 15 11.991 5.435 -8.891 119 HD2 HIS 15 2HD HIS 15 11.852 1.417 -7.658 120 HE1 HIS 15 1HE HIS 15 12.226 5.439 -6.343 121 H SER 16 H SER 16 8.859 3.411 -12.609 122 HA SER 16 HA SER 16 8.349 6.114 -11.616 123 1HB SER 16 2HB SER 16 7.232 4.674 -14.055 124 2HB SER 16 3HB SER 16 7.052 6.388 -13.653 125 HG SER 16 HG SER 16 8.827 5.985 -15.076 126 H CYS 17 HN CYS 17 6.216 3.300 -12.484 127 HA CYS 17 HA CYS 17 3.863 4.449 -11.528 128 1HB CYS 17 2HB CYS 17 4.506 1.477 -11.506 129 2HB CYS 17 3HB CYS 17 2.919 2.257 -11.611 130 H THR 18 H THR 18 6.153 2.279 -9.830 131 HA THR 18 HA THR 18 4.828 2.051 -7.366 132 HB THR 18 HB THR 18 7.087 1.581 -6.460 133 HG1 THR 18 1HG THR 18 8.857 1.850 -7.767 134 1HG2 THR 18 1HG2 THR 18 6.884 0.339 -9.238 135 2HG2 THR 18 2HG2 THR 18 7.572 -0.367 -7.769 136 3HG2 THR 18 3HG2 THR 18 5.821 -0.131 -7.917 137 H SER 19 H SER 19 7.476 4.285 -8.208 138 HA SER 19 HA SER 19 7.425 5.956 -6.003 139 1HB SER 19 2HB SER 19 9.127 6.019 -7.741 140 2HB SER 19 3HB SER 19 7.981 6.745 -8.892 141 HG SER 19 HG SER 19 9.341 8.285 -7.844 142 H THR 20 H THR 20 5.400 6.429 -8.994 143 HA THR 20 HA THR 20 4.084 8.769 -8.142 144 HB THR 20 HB THR 20 3.058 6.451 -9.847 145 HG1 THR 20 1HG THR 20 4.457 8.852 -10.384 146 1HG2 THR 20 1HG2 THR 20 2.023 9.306 -9.555 147 2HG2 THR 20 2HG2 THR 20 1.567 8.179 -10.853 148 3HG2 THR 20 3HG2 THR 20 1.144 7.805 -9.177 149 H ILE 21 H ILE 21 3.133 5.302 -7.572 150 HA ILE 21 HA ILE 21 0.793 5.958 -6.037 151 HB ILE 21 HB ILE 21 2.487 3.565 -6.738 152 1HG1 ILE 21 2HG1 ILE 21 -0.516 3.936 -6.802 153 2HG1 ILE 21 3HG1 ILE 21 0.532 4.641 -8.029 154 1HG2 ILE 21 1HG2 ILE 21 2.124 3.213 -4.411 155 2HG2 ILE 21 2HG2 ILE 21 0.371 3.552 -4.611 156 3HG2 ILE 21 3HG2 ILE 21 1.120 2.122 -5.384 157 1HD1 ILE 21 1HD1 ILE 21 0.266 1.679 -7.437 158 2HD1 ILE 21 2HD1 ILE 21 -0.301 2.559 -8.862 159 3HD1 ILE 21 3HD1 ILE 21 1.438 2.399 -8.577 160 H GLU 22 H GLU 22 4.199 5.383 -5.202 161 HA GLU 22 HA GLU 22 3.891 5.456 -2.410 162 1HB GLU 22 2HB GLU 22 6.112 5.480 -4.338 163 2HB GLU 22 3HB GLU 22 6.486 6.481 -2.947 164 1HG GLU 22 2HG GLU 22 5.821 4.648 -1.465 165 2HG GLU 22 3HG GLU 22 5.368 3.644 -2.865 166 H GLY 23 H GLY 23 4.546 8.138 -4.676 167 1HA GLY 23 1HA GLY 23 4.456 10.273 -2.848 168 2HA GLY 23 2HA GLY 23 3.953 10.344 -4.545 169 H LYS 24 H LYS 24 1.766 8.857 -4.804 170 HA LYS 24 HA LYS 24 -0.227 10.560 -3.842 171 1HB LYS 24 2HB LYS 24 -0.194 8.719 -5.787 172 2HB LYS 24 3HB LYS 24 -0.897 7.698 -4.542 173 1HG LYS 24 2HG LYS 24 -2.800 8.560 -5.499 174 2HG LYS 24 3HG LYS 24 -2.575 9.739 -4.206 175 1HD LYS 24 2HD LYS 24 -1.400 11.257 -5.823 176 2HD LYS 24 3HD LYS 24 -1.563 10.023 -7.083 177 1HE LYS 24 2HE LYS 24 -4.105 10.163 -6.750 178 2HE LYS 24 3HE LYS 24 -3.814 11.581 -5.731 179 1HZ LYS 24 1HZ LYS 24 -3.077 11.286 -8.576 180 2HZ LYS 24 2HZ LYS 24 -4.311 12.192 -7.986 181 3HZ LYS 24 3HZ LYS 24 -2.755 12.616 -7.662 182 H ILE 25 H ILE 25 0.606 7.318 -2.710 183 HA ILE 25 HA ILE 25 -1.378 7.283 -0.625 184 HB ILE 25 HB ILE 25 0.919 5.444 -1.211 185 1HG1 ILE 25 2HG1 ILE 25 -0.828 5.566 -2.978 186 2HG1 ILE 25 3HG1 ILE 25 -0.535 3.984 -2.256 187 1HG2 ILE 25 1HG2 ILE 25 -1.310 5.200 0.823 188 2HG2 ILE 25 2HG2 ILE 25 -0.348 3.825 0.240 189 3HG2 ILE 25 3HG2 ILE 25 0.442 5.149 1.110 190 1HD1 ILE 25 1HD1 ILE 25 -2.768 5.831 -1.370 191 2HD1 ILE 25 2HD1 ILE 25 -2.946 4.554 -2.581 192 3HD1 ILE 25 3HD1 ILE 25 -2.498 4.134 -0.909 193 H GLY 26 H GLY 26 2.171 7.835 -0.620 194 1HA GLY 26 1HA GLY 26 2.631 8.130 2.112 195 2HA GLY 26 2HA GLY 26 3.438 9.044 0.827 196 H LYS 27 H LYS 27 1.158 10.469 -0.188 197 HA LYS 27 HA LYS 27 1.088 12.649 1.648 198 1HB LYS 27 2HB LYS 27 1.300 12.936 -0.689 199 2HB LYS 27 3HB LYS 27 -0.165 12.009 -1.037 200 1HG LYS 27 2HG LYS 27 -1.580 13.676 -0.215 201 2HG LYS 27 3HG LYS 27 -0.247 14.600 0.515 202 1HD LYS 27 2HD LYS 27 0.441 15.495 -1.491 203 2HD LYS 27 3HD LYS 27 0.040 14.034 -2.411 204 1HE LYS 27 2HE LYS 27 -2.347 14.565 -2.358 205 2HE LYS 27 3HE LYS 27 -2.048 16.006 -1.369 206 1HZ LYS 27 1HZ LYS 27 -1.009 15.590 -4.099 207 2HZ LYS 27 2HZ LYS 27 -2.321 16.506 -3.711 208 3HZ LYS 27 3HZ LYS 27 -0.827 16.948 -3.186 209 H LEU 28 H LEU 28 -0.912 9.784 1.719 210 HA LEU 28 HA LEU 28 -3.371 11.143 2.520 211 1HB LEU 28 2HB LEU 28 -2.565 8.295 2.781 212 2HB LEU 28 3HB LEU 28 -4.141 9.020 3.010 213 HG LEU 28 HG LEU 28 -2.677 8.636 0.401 214 1HD1 LEU 28 1HD1 LEU 28 -5.528 8.239 1.339 215 2HD1 LEU 28 2HD1 LEU 28 -4.839 7.645 -0.197 216 3HD1 LEU 28 3HD1 LEU 28 -4.290 6.956 1.352 217 1HD2 LEU 28 1HD2 LEU 28 -4.444 9.955 -0.749 218 2HD2 LEU 28 2HD2 LEU 28 -4.984 10.583 0.819 219 3HD2 LEU 28 3HD2 LEU 28 -3.360 10.973 0.196 220 H GLN 29 H GLN 29 -3.815 11.801 4.544 221 HA GLN 29 HA GLN 29 -1.978 11.427 6.699 222 1HB GLN 29 2HB GLN 29 -3.307 13.393 6.662 223 2HB GLN 29 3HB GLN 29 -4.830 12.471 6.609 224 1HG GLN 29 2HG GLN 29 -4.568 11.728 8.888 225 2HG GLN 29 3HG GLN 29 -2.881 12.267 8.934 226 1HE2 GLN 29 2HE2 GLN 29 -6.207 13.624 8.388 227 2HE2 GLN 29 1HE2 GLN 29 -5.853 15.129 9.220 228 H GLY 30 H GLY 30 -1.626 9.560 7.541 229 1HA GLY 30 1HA GLY 30 -2.768 7.989 9.245 230 2HA GLY 30 2HA GLY 30 -3.780 7.509 7.884 231 H VAL 31 H VAL 31 -1.133 8.037 6.207 232 HA VAL 31 HA VAL 31 -0.097 5.335 6.593 233 HB VAL 31 HB VAL 31 0.441 7.642 4.634 234 1HG1 VAL 31 1HG1 VAL 31 1.866 4.946 4.657 235 2HG1 VAL 31 2HG1 VAL 31 1.852 6.078 3.295 236 3HG1 VAL 31 3HG1 VAL 31 2.617 6.554 4.812 237 1HG2 VAL 31 1HG2 VAL 31 -0.499 4.829 4.111 238 2HG2 VAL 31 2HG2 VAL 31 -1.654 6.141 4.444 239 3HG2 VAL 31 3HG2 VAL 31 -0.618 6.212 3.012 240 H GLN 32 H GLN 32 2.045 4.824 6.971 241 HA GLN 32 HA GLN 32 3.596 6.799 8.610 242 1HB GLN 32 2HB GLN 32 2.889 3.889 9.019 243 2HB GLN 32 3HB GLN 32 4.265 4.630 9.832 244 1HG GLN 32 2HG GLN 32 1.735 6.151 10.010 245 2HG GLN 32 3HG GLN 32 1.767 4.629 10.882 246 1HE2 GLN 32 2HE2 GLN 32 2.062 5.264 13.047 247 2HE2 GLN 32 1HE2 GLN 32 3.414 6.267 13.553 248 H ARG 33 H ARG 33 3.753 3.887 6.451 249 HA ARG 33 HA ARG 33 6.246 4.833 5.267 250 1HB ARG 33 2HB ARG 33 6.363 2.905 7.417 251 2HB ARG 33 3HB ARG 33 6.508 1.997 5.920 252 1HG ARG 33 2HG ARG 33 8.674 2.542 6.698 253 2HG ARG 33 3HG ARG 33 8.401 3.457 5.206 254 1HD ARG 33 2HD ARG 33 8.334 5.508 6.312 255 2HD ARG 33 3HD ARG 33 7.649 4.789 7.788 256 HE ARG 33 HE ARG 33 10.250 3.789 7.577 257 1HH1 ARG 33 1HH2 ARG 33 8.575 6.835 8.112 258 2HH1 ARG 33 2HH2 ARG 33 9.740 7.489 9.222 259 1HH2 ARG 33 1HH1 ARG 33 11.774 4.551 9.152 260 2HH2 ARG 33 2HH1 ARG 33 11.603 6.130 9.842 261 H ILE 34 H ILE 34 6.749 3.392 3.350 262 HA ILE 34 HA ILE 34 4.632 1.724 2.467 263 HB ILE 34 HB ILE 34 3.600 3.770 1.984 264 1HG1 ILE 34 2HG1 ILE 34 4.895 2.917 -0.616 265 2HG1 ILE 34 3HG1 ILE 34 3.829 1.862 0.276 266 1HG2 ILE 34 1HG2 ILE 34 5.335 5.411 2.148 267 2HG2 ILE 34 2HG2 ILE 34 6.174 4.768 0.727 268 3HG2 ILE 34 3HG2 ILE 34 4.593 5.572 0.563 269 1HD1 ILE 34 1HD1 ILE 34 2.987 4.644 -0.617 270 2HD1 ILE 34 2HD1 ILE 34 2.614 3.148 -1.499 271 3HD1 ILE 34 3HD1 ILE 34 1.987 3.409 0.146 272 H LYS 35 H LYS 35 5.498 0.289 1.068 273 HA LYS 35 HA LYS 35 8.006 0.847 -0.201 274 1HB LYS 35 2HB LYS 35 7.775 -1.047 2.049 275 2HB LYS 35 3HB LYS 35 8.695 -1.604 0.641 276 1HG LYS 35 2HG LYS 35 9.148 0.898 2.311 277 2HG LYS 35 3HG LYS 35 10.041 -0.616 2.443 278 1HD LYS 35 2HD LYS 35 10.905 -0.399 0.156 279 2HD LYS 35 3HD LYS 35 10.021 1.121 -0.071 280 1HE LYS 35 2HE LYS 35 12.088 0.778 2.122 281 2HE LYS 35 3HE LYS 35 12.475 1.356 0.496 282 1HZ LYS 35 1HZ LYS 35 10.502 2.635 2.267 283 2HZ LYS 35 2HZ LYS 35 12.036 3.178 1.991 284 3HZ LYS 35 3HZ LYS 35 10.930 3.145 0.772 285 H VAL 36 H VAL 36 7.144 0.914 -2.228 286 HA VAL 36 HA VAL 36 5.534 -1.435 -3.056 287 HB VAL 36 HB VAL 36 6.033 1.163 -4.497 288 1HG1 VAL 36 1HG1 VAL 36 3.943 -1.053 -4.877 289 2HG1 VAL 36 2HG1 VAL 36 4.116 0.423 -5.844 290 3HG1 VAL 36 3HG1 VAL 36 5.356 -0.847 -5.912 291 1HG2 VAL 36 1HG2 VAL 36 4.810 1.511 -2.376 292 2HG2 VAL 36 2HG2 VAL 36 3.721 1.679 -3.756 293 3HG2 VAL 36 3HG2 VAL 36 3.697 0.200 -2.773 294 H SER 37 H SER 37 6.944 -3.117 -3.216 295 HA SER 37 HA SER 37 9.524 -2.843 -4.536 296 1HB SER 37 2HB SER 37 8.121 -5.210 -3.406 297 2HB SER 37 3HB SER 37 9.832 -5.129 -3.863 298 HG SER 37 HG SER 37 9.299 -4.731 -1.557 299 H LEU 38 H LEU 38 9.508 -2.763 -6.735 300 HA LEU 38 HA LEU 38 7.557 -3.917 -8.410 301 1HB LEU 38 2HB LEU 38 9.080 -3.590 -10.262 302 2HB LEU 38 3HB LEU 38 8.651 -2.153 -9.358 303 HG LEU 38 HG LEU 38 11.306 -3.566 -8.964 304 1HD1 LEU 38 1HD1 LEU 38 11.036 -2.979 -11.324 305 2HD1 LEU 38 2HD1 LEU 38 10.578 -1.323 -10.867 306 3HD1 LEU 38 3HD1 LEU 38 12.225 -1.919 -10.551 307 1HD2 LEU 38 1HD2 LEU 38 11.146 -2.031 -7.193 308 2HD2 LEU 38 2HD2 LEU 38 11.832 -1.003 -8.440 309 3HD2 LEU 38 3HD2 LEU 38 10.087 -0.932 -8.113 310 H ASP 39 H ASP 39 10.880 -5.128 -7.589 311 HA ASP 39 HA ASP 39 11.147 -7.156 -9.317 312 1HB ASP 39 2HB ASP 39 11.835 -7.463 -6.354 313 2HB ASP 39 3HB ASP 39 12.616 -8.218 -7.727 314 H ASN 40 H ASN 40 9.800 -7.560 -6.062 315 HA ASN 40 HA ASN 40 8.834 -10.205 -6.777 316 1HB ASN 40 2HB ASN 40 10.107 -9.745 -4.683 317 2HB ASN 40 3HB ASN 40 8.641 -8.939 -4.099 318 1HD2 ASN 40 2HD2 ASN 40 9.200 -10.806 -2.421 319 2HD2 ASN 40 1HD2 ASN 40 8.386 -12.330 -2.739 320 H GLN 41 H GLN 41 7.646 -7.543 -7.710 321 HA GLN 41 HA GLN 41 5.905 -6.173 -7.573 322 1HB GLN 41 2HB GLN 41 5.821 -8.137 -9.324 323 2HB GLN 41 3HB GLN 41 4.331 -8.570 -8.485 324 1HG GLN 41 2HG GLN 41 3.439 -6.328 -9.002 325 2HG GLN 41 3HG GLN 41 5.013 -5.812 -9.638 326 1HE2 GLN 41 2HE2 GLN 41 4.880 -5.647 -11.919 327 2HE2 GLN 41 1HE2 GLN 41 4.133 -6.883 -12.881 328 H GLU 42 H GLU 42 6.032 -6.064 -5.166 329 HA GLU 42 HA GLU 42 3.394 -6.739 -3.991 330 1HB GLU 42 2HB GLU 42 4.901 -8.597 -3.399 331 2HB GLU 42 3HB GLU 42 6.008 -7.459 -2.610 332 1HG GLU 42 2HG GLU 42 4.332 -6.898 -0.943 333 2HG GLU 42 3HG GLU 42 3.075 -7.769 -1.829 334 H ALA 43 H ALA 43 2.584 -5.225 -2.769 335 HA ALA 43 HA ALA 43 4.099 -2.729 -2.287 336 1HB ALA 43 1HB ALA 43 2.377 -1.720 -3.255 337 2HB ALA 43 2HB ALA 43 1.496 -3.236 -3.412 338 3HB ALA 43 3HB ALA 43 1.339 -2.258 -1.938 339 H THR 44 H THR 44 4.881 -2.630 -0.380 340 HA THR 44 HA THR 44 3.657 -3.745 2.096 341 HB THR 44 HB THR 44 6.235 -2.213 1.414 342 HG1 THR 44 1HG THR 44 5.791 -4.473 0.561 343 1HG2 THR 44 1HG2 THR 44 5.663 -3.965 3.831 344 2HG2 THR 44 2HG2 THR 44 7.115 -3.004 3.539 345 3HG2 THR 44 3HG2 THR 44 5.582 -2.186 3.899 346 H ILE 45 H ILE 45 1.773 -2.333 2.161 347 HA ILE 45 HA ILE 45 2.324 0.615 2.200 348 HB ILE 45 HB ILE 45 -0.309 -0.876 2.243 349 1HG1 ILE 45 2HG1 ILE 45 0.948 -1.343 0.135 350 2HG1 ILE 45 3HG1 ILE 45 -0.596 -0.500 -0.066 351 1HG2 ILE 45 1HG2 ILE 45 0.417 2.049 1.814 352 2HG2 ILE 45 2HG2 ILE 45 -1.194 1.344 1.536 353 3HG2 ILE 45 3HG2 ILE 45 -0.473 1.331 3.163 354 1HD1 ILE 45 1HD1 ILE 45 2.142 0.729 -0.255 355 2HD1 ILE 45 2HD1 ILE 45 1.058 0.360 -1.596 356 3HD1 ILE 45 3HD1 ILE 45 0.603 1.618 -0.442 357 H VAL 46 H VAL 46 2.847 1.417 4.273 358 HA VAL 46 HA VAL 46 1.952 -0.229 6.577 359 HB VAL 46 HB VAL 46 4.264 1.683 6.614 360 1HG1 VAL 46 1HG1 VAL 46 4.947 0.322 8.508 361 2HG1 VAL 46 2HG1 VAL 46 3.282 0.897 8.743 362 3HG1 VAL 46 3HG1 VAL 46 3.577 -0.777 8.259 363 1HG2 VAL 46 1HG2 VAL 46 4.861 0.141 4.838 364 2HG2 VAL 46 2HG2 VAL 46 5.696 -0.389 6.306 365 3HG2 VAL 46 3HG2 VAL 46 4.230 -1.234 5.767 366 H TYR 47 H TYR 47 0.316 0.555 7.705 367 HA TYR 47 HA TYR 47 -0.061 3.508 7.787 368 1HB TYR 47 2HB TYR 47 -2.216 3.400 7.011 369 2HB TYR 47 3HB TYR 47 -1.440 2.198 6.000 370 HD1 TYR 47 1HD TYR 47 -4.009 2.841 8.521 371 HD2 TYR 47 2HD TYR 47 -1.738 -0.317 6.673 372 HE1 TYR 47 1HE TYR 47 -5.871 1.279 8.914 373 HE2 TYR 47 2HE TYR 47 -3.505 -1.941 7.392 374 HH TYR 47 HH TYR 47 -6.507 -0.925 8.981 375 H GLN 48 H GLN 48 -1.808 4.150 9.245 376 HA GLN 48 HA GLN 48 -1.351 2.840 11.847 377 1HB GLN 48 2HB GLN 48 -0.662 5.168 11.311 378 2HB GLN 48 3HB GLN 48 -2.331 5.618 11.135 379 1HG GLN 48 2HG GLN 48 -2.793 5.407 13.441 380 2HG GLN 48 3HG GLN 48 -1.625 4.108 13.671 381 1HE2 GLN 48 2HE2 GLN 48 0.283 4.576 14.691 382 2HE2 GLN 48 1HE2 GLN 48 0.885 6.214 14.883 383 HA PRO 49 HA PRO 49 -5.661 1.609 11.068 384 1HB PRO 49 2HB PRO 49 -5.966 -0.345 12.933 385 2HB PRO 49 3HB PRO 49 -4.901 -0.551 11.514 386 1HG PRO 49 2HG PRO 49 -4.091 0.330 14.300 387 2HG PRO 49 3HG PRO 49 -3.383 -0.988 13.327 388 1HD PRO 49 2HD PRO 49 -2.288 1.495 13.387 389 2HD PRO 49 3HD PRO 49 -2.318 0.569 11.865 390 H HIS 50 H HIS 50 -6.087 3.759 11.655 391 HA HIS 50 HA HIS 50 -8.303 4.001 13.350 392 1HB HIS 50 2HB HIS 50 -5.684 4.945 14.554 393 2HB HIS 50 3HB HIS 50 -7.091 5.987 14.718 394 HD1 HIS 50 1HD HIS 50 -6.172 5.241 17.372 395 HD2 HIS 50 2HD HIS 50 -8.736 2.767 15.127 396 HE1 HIS 50 1HE HIS 50 -7.431 3.769 19.033 397 H LEU 51 H LEU 51 -5.562 5.654 11.705 398 HA LEU 51 HA LEU 51 -7.217 8.000 11.162 399 1HB LEU 51 2HB LEU 51 -4.578 7.096 10.158 400 2HB LEU 51 3HB LEU 51 -5.281 8.653 9.719 401 HG LEU 51 HG LEU 51 -4.925 7.919 12.657 402 1HD1 LEU 51 1HD1 LEU 51 -2.845 9.149 12.737 403 2HD1 LEU 51 2HD1 LEU 51 -2.682 7.803 11.607 404 3HD1 LEU 51 3HD1 LEU 51 -2.898 9.460 10.992 405 1HD2 LEU 51 1HD2 LEU 51 -6.425 9.847 12.101 406 2HD2 LEU 51 2HD2 LEU 51 -4.964 10.372 12.944 407 3HD2 LEU 51 3HD2 LEU 51 -5.099 10.594 11.191 408 H ILE 52 H ILE 52 -5.871 5.346 9.125 409 HA ILE 52 HA ILE 52 -7.988 5.860 7.132 410 HB ILE 52 HB ILE 52 -5.381 6.572 6.826 411 1HG1 ILE 52 2HG1 ILE 52 -5.833 6.093 4.317 412 2HG1 ILE 52 3HG1 ILE 52 -7.460 5.701 4.947 413 1HG2 ILE 52 1HG2 ILE 52 -4.105 5.061 5.542 414 2HG2 ILE 52 2HG2 ILE 52 -4.540 4.273 7.048 415 3HG2 ILE 52 3HG2 ILE 52 -5.380 3.824 5.525 416 1HD1 ILE 52 1HD1 ILE 52 -5.892 8.306 5.225 417 2HD1 ILE 52 2HD1 ILE 52 -7.362 8.068 4.269 418 3HD1 ILE 52 3HD1 ILE 52 -7.442 8.007 6.046 419 H SER 53 H SER 53 -7.871 3.710 5.530 420 HA SER 53 HA SER 53 -7.822 1.289 7.233 421 1HB SER 53 2HB SER 53 -10.184 0.839 6.619 422 2HB SER 53 3HB SER 53 -10.035 2.340 7.549 423 HG SER 53 HG SER 53 -11.318 2.752 5.750 424 H VAL 54 H VAL 54 -8.076 -0.655 6.027 425 HA VAL 54 HA VAL 54 -6.658 -1.152 3.749 426 HB VAL 54 HB VAL 54 -9.116 -2.457 4.907 427 1HG1 VAL 54 1HG1 VAL 54 -9.330 -3.016 2.545 428 2HG1 VAL 54 2HG1 VAL 54 -7.591 -3.376 2.436 429 3HG1 VAL 54 3HG1 VAL 54 -8.669 -4.411 3.394 430 1HG2 VAL 54 1HG2 VAL 54 -6.244 -3.439 4.576 431 2HG2 VAL 54 2HG2 VAL 54 -6.862 -2.651 6.051 432 3HG2 VAL 54 3HG2 VAL 54 -7.530 -4.206 5.519 433 H GLU 55 H GLU 55 -10.133 -0.205 3.837 434 HA GLU 55 HA GLU 55 -10.516 -0.518 1.054 435 1HB GLU 55 2HB GLU 55 -12.392 -0.454 2.580 436 2HB GLU 55 3HB GLU 55 -11.990 1.216 2.988 437 1HG GLU 55 2HG GLU 55 -13.186 1.936 1.252 438 2HG GLU 55 3HG GLU 55 -12.252 0.924 0.120 439 H GLU 56 H GLU 56 -9.574 2.489 2.882 440 HA GLU 56 HA GLU 56 -9.569 4.182 0.597 441 1HB GLU 56 2HB GLU 56 -8.538 4.265 3.398 442 2HB GLU 56 3HB GLU 56 -7.516 5.123 2.240 443 1HG GLU 56 2HG GLU 56 -10.499 5.608 2.535 444 2HG GLU 56 3HG GLU 56 -9.220 6.603 3.250 445 H MET 57 H MET 57 -6.988 2.190 2.187 446 HA MET 57 HA MET 57 -4.942 2.793 0.465 447 1HB MET 57 2HB MET 57 -5.286 0.036 1.484 448 2HB MET 57 3HB MET 57 -3.847 1.001 1.226 449 1HG MET 57 2HG MET 57 -5.284 2.491 3.161 450 2HG MET 57 3HG MET 57 -5.511 0.786 3.563 451 1HE MET 57 1HE MET 57 -3.336 3.896 3.556 452 2HE MET 57 2HE MET 57 -1.698 3.211 3.596 453 3HE MET 57 3HE MET 57 -2.693 3.046 2.133 454 H LYS 58 H LYS 58 -7.280 0.054 0.067 455 HA LYS 58 HA LYS 58 -6.292 -0.640 -2.538 456 1HB LYS 58 2HB LYS 58 -7.314 -2.323 -1.745 457 2HB LYS 58 3HB LYS 58 -8.692 -1.453 -0.930 458 1HG LYS 58 2HG LYS 58 -9.632 -1.165 -3.308 459 2HG LYS 58 3HG LYS 58 -8.266 -2.132 -3.892 460 1HD LYS 58 2HD LYS 58 -10.438 -3.047 -1.963 461 2HD LYS 58 3HD LYS 58 -10.359 -3.354 -3.710 462 1HE LYS 58 2HE LYS 58 -8.068 -4.457 -3.304 463 2HE LYS 58 3HE LYS 58 -8.455 -4.411 -1.573 464 1HZ LYS 58 1HZ LYS 58 -10.024 -5.693 -3.699 465 2HZ LYS 58 2HZ LYS 58 -9.047 -6.484 -2.641 466 3HZ LYS 58 3HZ LYS 58 -10.408 -5.728 -2.086 467 H LYS 59 H LYS 59 -9.383 1.116 -1.727 468 HA LYS 59 HA LYS 59 -10.231 1.633 -4.224 469 1HB LYS 59 2HB LYS 59 -11.103 2.313 -1.816 470 2HB LYS 59 3HB LYS 59 -10.288 3.835 -2.160 471 1HG LYS 59 2HG LYS 59 -12.287 4.370 -3.103 472 2HG LYS 59 3HG LYS 59 -11.655 3.452 -4.475 473 1HD LYS 59 2HD LYS 59 -13.824 2.499 -4.139 474 2HD LYS 59 3HD LYS 59 -12.699 1.362 -3.408 475 1HE LYS 59 2HE LYS 59 -14.451 1.529 -1.842 476 2HE LYS 59 3HE LYS 59 -13.163 2.516 -1.147 477 1HZ LYS 59 1HZ LYS 59 -15.512 3.516 -2.579 478 2HZ LYS 59 2HZ LYS 59 -15.221 3.589 -0.963 479 3HZ LYS 59 3HZ LYS 59 -14.284 4.458 -1.998 480 H GLN 60 H GLN 60 -7.828 3.587 -2.359 481 HA GLN 60 HA GLN 60 -7.307 5.485 -4.448 482 1HB GLN 60 2HB GLN 60 -5.592 4.409 -2.233 483 2HB GLN 60 3HB GLN 60 -5.143 5.822 -3.192 484 1HG GLN 60 2HG GLN 60 -7.859 5.779 -1.789 485 2HG GLN 60 3HG GLN 60 -6.392 6.095 -0.881 486 1HE2 GLN 60 2HE2 GLN 60 -7.785 8.071 -0.511 487 2HE2 GLN 60 1HE2 GLN 60 -7.527 9.427 -1.618 488 H ILE 61 H ILE 61 -5.625 2.368 -3.646 489 HA ILE 61 HA ILE 61 -3.730 2.683 -5.820 490 HB ILE 61 HB ILE 61 -4.346 0.346 -4.008 491 1HG1 ILE 61 2HG1 ILE 61 -2.177 2.506 -4.189 492 2HG1 ILE 61 3HG1 ILE 61 -3.395 2.367 -2.947 493 1HG2 ILE 61 1HG2 ILE 61 -2.267 -0.650 -4.908 494 2HG2 ILE 61 2HG2 ILE 61 -3.445 -0.472 -6.192 495 3HG2 ILE 61 3HG2 ILE 61 -2.112 0.694 -6.067 496 1HD1 ILE 61 1HD1 ILE 61 -1.090 0.464 -3.380 497 2HD1 ILE 61 2HD1 ILE 61 -1.370 1.571 -2.026 498 3HD1 ILE 61 3HD1 ILE 61 -2.450 0.183 -2.256 499 H GLU 62 H GLU 62 -6.425 0.185 -5.435 500 HA GLU 62 HA GLU 62 -6.376 -0.696 -8.055 501 1HB GLU 62 2HB GLU 62 -8.103 -0.829 -5.689 502 2HB GLU 62 3HB GLU 62 -9.079 -0.502 -7.069 503 1HG GLU 62 2HG GLU 62 -8.179 -2.503 -8.188 504 2HG GLU 62 3HG GLU 62 -7.009 -2.742 -6.879 505 H ALA 63 H ALA 63 -7.889 2.390 -6.855 506 HA ALA 63 HA ALA 63 -9.319 2.977 -9.204 507 1HB ALA 63 1HB ALA 63 -9.581 4.415 -7.317 508 2HB ALA 63 2HB ALA 63 -7.835 4.812 -7.300 509 3HB ALA 63 3HB ALA 63 -8.885 5.391 -8.610 510 H MET 64 H MET 64 -5.775 3.148 -8.705 511 HA MET 64 HA MET 64 -5.121 4.707 -10.992 512 1HB MET 64 2HB MET 64 -3.623 2.394 -9.716 513 2HB MET 64 3HB MET 64 -2.988 3.568 -10.862 514 1HG MET 64 2HG MET 64 -3.951 4.197 -8.049 515 2HG MET 64 3HG MET 64 -2.294 4.094 -8.636 516 1HE MET 64 1HE MET 64 -1.480 6.339 -7.726 517 2HE MET 64 2HE MET 64 -2.419 7.840 -7.869 518 3HE MET 64 3HE MET 64 -3.070 6.470 -6.931 519 H GLY 65 H GLY 65 -5.900 1.248 -10.530 520 1HA GLY 65 1HA GLY 65 -7.210 0.415 -12.528 521 2HA GLY 65 2HA GLY 65 -5.743 0.725 -13.474 522 H PHE 66 H PHE 66 -4.252 -0.031 -10.815 523 HA PHE 66 HA PHE 66 -3.609 -2.662 -11.766 524 1HB PHE 66 2HB PHE 66 -2.694 -1.112 -9.346 525 2HB PHE 66 3HB PHE 66 -1.831 -2.490 -10.079 526 HD1 PHE 66 1HD PHE 66 -1.441 -2.083 -12.785 527 HD2 PHE 66 2HD PHE 66 -1.770 0.968 -9.758 528 HE1 PHE 66 1HE PHE 66 -0.451 -0.418 -14.345 529 HE2 PHE 66 2HE PHE 66 -0.768 2.622 -11.318 530 HZ PHE 66 HZ PHE 66 -0.183 1.947 -13.626 531 HA PRO 67 HA PRO 67 -6.645 -4.418 -8.753 532 1HB PRO 67 2HB PRO 67 -6.215 -7.084 -9.247 533 2HB PRO 67 3HB PRO 67 -7.155 -6.035 -10.343 534 1HG PRO 67 2HG PRO 67 -4.245 -6.821 -10.592 535 2HG PRO 67 3HG PRO 67 -5.505 -6.888 -11.858 536 1HD PRO 67 2HD PRO 67 -3.760 -4.827 -11.646 537 2HD PRO 67 3HD PRO 67 -5.456 -4.524 -12.138 538 H ALA 68 H ALA 68 -6.225 -5.102 -6.553 539 HA ALA 68 HA ALA 68 -3.399 -5.893 -5.990 540 1HB ALA 68 1HB ALA 68 -4.948 -3.854 -4.395 541 2HB ALA 68 2HB ALA 68 -3.313 -4.506 -4.091 542 3HB ALA 68 3HB ALA 68 -3.622 -3.504 -5.533 543 H PHE 69 H PHE 69 -3.058 -7.473 -4.550 544 HA PHE 69 HA PHE 69 -5.470 -8.715 -3.266 545 1HB PHE 69 2HB PHE 69 -2.915 -9.782 -4.329 546 2HB PHE 69 3HB PHE 69 -3.856 -10.688 -3.150 547 HD1 PHE 69 1HD PHE 69 -3.882 -9.322 -6.632 548 HD2 PHE 69 2HD PHE 69 -5.967 -11.733 -3.705 549 HE1 PHE 69 1HE PHE 69 -5.316 -10.251 -8.408 550 HE2 PHE 69 2HE PHE 69 -7.396 -12.663 -5.500 551 HZ PHE 69 HZ PHE 69 -7.086 -11.917 -7.852 552 H VAL 70 H VAL 70 -5.148 -6.870 -1.722 553 HA VAL 70 HA VAL 70 -3.078 -6.883 0.280 554 HB VAL 70 HB VAL 70 -4.311 -4.978 0.083 555 1HG1 VAL 70 1HG1 VAL 70 -6.752 -6.671 0.244 556 2HG1 VAL 70 2HG1 VAL 70 -6.784 -4.959 0.720 557 3HG1 VAL 70 3HG1 VAL 70 -6.265 -5.422 -0.914 558 1HG2 VAL 70 1HG2 VAL 70 -4.997 -4.559 2.333 559 2HG2 VAL 70 2HG2 VAL 70 -5.221 -6.286 2.664 560 3HG2 VAL 70 3HG2 VAL 70 -3.593 -5.640 2.356 561 H LYS 71 H LYS 71 -2.554 -8.888 1.268 562 HA LYS 71 HA LYS 71 -4.711 -9.962 2.949 563 1HB LYS 71 2HB LYS 71 -4.435 -12.220 2.243 564 2HB LYS 71 3HB LYS 71 -5.158 -11.183 1.000 565 1HG LYS 71 2HG LYS 71 -3.003 -10.953 -0.095 566 2HG LYS 71 3HG LYS 71 -2.240 -11.936 1.153 567 1HD LYS 71 2HD LYS 71 -3.940 -13.782 0.565 568 2HD LYS 71 3HD LYS 71 -4.398 -12.804 -0.843 569 1HE LYS 71 2HE LYS 71 -2.071 -12.978 -1.711 570 2HE LYS 71 3HE LYS 71 -1.592 -13.884 -0.262 571 1HZ LYS 71 1HZ LYS 71 -3.545 -14.789 -2.279 572 2HZ LYS 71 2HZ LYS 71 -2.028 -15.384 -2.058 573 3HZ LYS 71 3HZ LYS 71 -3.168 -15.600 -0.900 574 H LYS 72 H LYS 72 -2.831 -8.551 4.044 575 HA LYS 72 HA LYS 72 -1.588 -10.462 5.811 576 1HB LYS 72 2HB LYS 72 0.003 -8.792 3.866 577 2HB LYS 72 3HB LYS 72 0.557 -8.808 5.541 578 1HG LYS 72 2HG LYS 72 1.798 -10.508 4.857 579 2HG LYS 72 3HG LYS 72 0.361 -11.426 5.292 580 1HD LYS 72 2HD LYS 72 -0.151 -10.902 2.630 581 2HD LYS 72 3HD LYS 72 1.598 -10.829 2.594 582 1HE LYS 72 2HE LYS 72 0.006 -13.161 3.730 583 2HE LYS 72 3HE LYS 72 0.724 -13.109 2.115 584 1HZ LYS 72 1HZ LYS 72 2.269 -12.845 4.615 585 2HZ LYS 72 2HZ LYS 72 2.134 -14.232 3.740 586 3HZ LYS 72 3HZ LYS 72 2.881 -12.917 3.094 587 H ILE 73 H ILE 73 -0.862 -9.324 7.718 588 HA ILE 73 HA ILE 73 -1.499 -6.513 8.065 589 HB ILE 73 HB ILE 73 -3.707 -7.548 8.326 590 1HG1 ILE 73 2HG1 ILE 73 -4.203 -6.913 10.743 591 2HG1 ILE 73 3HG1 ILE 73 -2.502 -6.478 10.900 592 1HG2 ILE 73 1HG2 ILE 73 -3.029 -9.842 8.962 593 2HG2 ILE 73 2HG2 ILE 73 -2.639 -9.263 10.594 594 3HG2 ILE 73 3HG2 ILE 73 -4.292 -9.162 9.986 595 1HD1 ILE 73 1HD1 ILE 73 -4.492 -5.339 8.882 596 2HD1 ILE 73 2HD1 ILE 73 -3.894 -4.532 10.344 597 3HD1 ILE 73 3HD1 ILE 73 -2.782 -4.859 9.002 598 H GLU 74 H GLU 74 0.894 -7.167 7.969 599 HA GLU 74 HA GLU 74 1.929 -8.488 10.419 600 1HB GLU 74 2HB GLU 74 3.194 -7.323 7.914 601 2HB GLU 74 3HB GLU 74 4.157 -7.862 9.294 602 1HG GLU 74 2HG GLU 74 3.453 -10.136 8.923 603 2HG GLU 74 3HG GLU 74 2.186 -9.630 7.784 604 H GLY 75 H GLY 75 3.803 -7.160 11.510 605 1HA GLY 75 1HA GLY 75 3.038 -4.284 11.865 606 2HA GLY 75 2HA GLY 75 3.413 -5.344 13.232 607 H ARG 76 H ARG 76 4.938 -3.045 12.837 608 HA ARG 76 HA ARG 76 7.530 -4.176 12.735 609 1HB ARG 76 2HB ARG 76 6.963 -3.433 10.250 610 2HB ARG 76 3HB ARG 76 6.983 -1.796 10.912 611 1HG ARG 76 2HG ARG 76 9.137 -2.133 10.015 612 2HG ARG 76 3HG ARG 76 9.359 -2.321 11.760 613 1HD ARG 76 2HD ARG 76 9.216 -4.827 11.441 614 2HD ARG 76 3HD ARG 76 9.046 -4.542 9.694 615 HE ARG 76 HE ARG 76 11.386 -3.262 10.846 616 1HH1 ARG 76 1HH2 ARG 76 10.176 -6.380 9.754 617 2HH1 ARG 76 2HH2 ARG 76 11.723 -7.023 9.295 618 1HH2 ARG 76 1HH1 ARG 76 13.482 -4.079 10.285 619 2HH2 ARG 76 2HH1 ARG 76 13.658 -5.675 9.632 Start of MODEL 30 1 1H GLY 1 1H GLY 1 3.478 0.044 17.742 2 2H GLY 1 2H GLY 1 4.781 1.036 18.097 3 3H GLY 1 3H GLY 1 3.240 1.644 17.929 4 1HA GLY 1 1HA GLY 1 4.313 2.150 15.921 5 2HA GLY 1 2HA GLY 1 4.875 0.462 15.804 6 H GLU 2 H GLU 2 3.354 1.625 13.781 7 HA GLU 2 HA GLU 2 0.562 0.968 14.033 8 1HB GLU 2 2HB GLU 2 0.487 1.936 11.859 9 2HB GLU 2 3HB GLU 2 1.515 2.918 12.858 10 1HG GLU 2 2HG GLU 2 2.754 0.771 11.083 11 2HG GLU 2 3HG GLU 2 2.216 2.299 10.407 12 H VAL 3 H VAL 3 0.290 -0.017 11.209 13 HA VAL 3 HA VAL 3 1.139 -2.859 11.577 14 HB VAL 3 HB VAL 3 -1.563 -1.747 10.801 15 1HG1 VAL 3 1HG1 VAL 3 -0.775 -4.641 11.208 16 2HG1 VAL 3 2HG1 VAL 3 -2.406 -3.995 10.863 17 3HG1 VAL 3 3HG1 VAL 3 -1.132 -3.857 9.649 18 1HG2 VAL 3 1HG2 VAL 3 -1.277 -1.513 13.233 19 2HG2 VAL 3 2HG2 VAL 3 -2.305 -2.927 12.956 20 3HG2 VAL 3 3HG2 VAL 3 -0.593 -3.148 13.343 21 H VAL 4 H VAL 4 1.668 -3.930 9.666 22 HA VAL 4 HA VAL 4 1.989 -2.317 7.272 23 HB VAL 4 HB VAL 4 3.991 -2.866 8.132 24 1HG1 VAL 4 1HG1 VAL 4 3.540 -4.524 9.667 25 2HG1 VAL 4 2HG1 VAL 4 2.987 -5.654 8.391 26 3HG1 VAL 4 3HG1 VAL 4 4.709 -5.216 8.524 27 1HG2 VAL 4 1HG2 VAL 4 3.396 -5.019 6.068 28 2HG2 VAL 4 2HG2 VAL 4 3.531 -3.302 5.629 29 3HG2 VAL 4 3HG2 VAL 4 4.941 -4.167 6.301 30 H LEU 5 H LEU 5 0.862 -2.821 5.471 31 HA LEU 5 HA LEU 5 -0.596 -5.425 5.376 32 1HB LEU 5 2HB LEU 5 -1.179 -2.709 4.186 33 2HB LEU 5 3HB LEU 5 -1.966 -4.179 3.630 34 HG LEU 5 HG LEU 5 -3.375 -2.912 5.150 35 1HD1 LEU 5 1HD1 LEU 5 -3.521 -5.447 5.045 36 2HD1 LEU 5 2HD1 LEU 5 -2.595 -5.454 6.564 37 3HD1 LEU 5 3HD1 LEU 5 -4.184 -4.688 6.503 38 1HD2 LEU 5 1HD2 LEU 5 -2.928 -2.709 7.537 39 2HD2 LEU 5 2HD2 LEU 5 -1.440 -3.601 7.392 40 3HD2 LEU 5 3HD2 LEU 5 -1.558 -1.997 6.634 41 H LYS 6 H LYS 6 0.047 -6.779 3.783 42 HA LYS 6 HA LYS 6 2.057 -5.787 1.811 43 1HB LYS 6 2HB LYS 6 2.310 -7.855 3.685 44 2HB LYS 6 3HB LYS 6 1.787 -8.668 2.214 45 1HG LYS 6 2HG LYS 6 4.099 -8.747 2.133 46 2HG LYS 6 3HG LYS 6 3.688 -7.457 1.013 47 1HD LYS 6 2HD LYS 6 4.525 -5.788 2.345 48 2HD LYS 6 3HD LYS 6 4.191 -6.604 3.867 49 1HE LYS 6 2HE LYS 6 6.346 -7.564 1.925 50 2HE LYS 6 3HE LYS 6 6.669 -6.382 3.197 51 1HZ LYS 6 1HZ LYS 6 5.607 -9.085 3.700 52 2HZ LYS 6 2HZ LYS 6 7.181 -8.649 3.850 53 3HZ LYS 6 3HZ LYS 6 6.048 -7.982 4.836 54 H MET 7 H MET 7 0.994 -5.405 -0.036 55 HA MET 7 HA MET 7 -1.253 -7.147 -0.837 56 1HB MET 7 2HB MET 7 -1.822 -5.087 -2.291 57 2HB MET 7 3HB MET 7 -2.279 -5.128 -0.588 58 1HG MET 7 2HG MET 7 -0.548 -3.727 0.097 59 2HG MET 7 3HG MET 7 0.198 -3.781 -1.509 60 1HE MET 7 1HE MET 7 -2.393 -2.286 0.821 61 2HE MET 7 2HE MET 7 -3.359 -1.200 -0.205 62 3HE MET 7 3HE MET 7 -3.596 -2.947 -0.318 63 H LYS 8 H LYS 8 -0.905 -8.363 -2.540 64 HA LYS 8 HA LYS 8 1.594 -8.065 -4.105 65 1HB LYS 8 2HB LYS 8 -0.788 -9.961 -4.373 66 2HB LYS 8 3HB LYS 8 0.596 -9.905 -5.459 67 1HG LYS 8 2HG LYS 8 1.037 -11.601 -4.028 68 2HG LYS 8 3HG LYS 8 2.096 -10.271 -3.511 69 1HD LYS 8 2HD LYS 8 0.654 -9.870 -1.528 70 2HD LYS 8 3HD LYS 8 -0.549 -10.990 -2.178 71 1HE LYS 8 2HE LYS 8 0.557 -12.283 -0.549 72 2HE LYS 8 3HE LYS 8 1.307 -12.805 -2.062 73 1HZ LYS 8 1HZ LYS 8 2.443 -10.982 -0.029 74 2HZ LYS 8 2HZ LYS 8 3.027 -12.433 -0.504 75 3HZ LYS 8 3HZ LYS 8 3.142 -11.086 -1.418 76 H VAL 9 H VAL 9 1.699 -6.993 -6.119 77 HA VAL 9 HA VAL 9 -0.881 -5.930 -7.198 78 HB VAL 9 HB VAL 9 0.521 -4.026 -8.031 79 1HG1 VAL 9 1HG1 VAL 9 0.040 -4.307 -5.035 80 2HG1 VAL 9 2HG1 VAL 9 0.361 -2.768 -5.861 81 3HG1 VAL 9 3HG1 VAL 9 -1.088 -3.701 -6.267 82 1HG2 VAL 9 1HG2 VAL 9 2.552 -3.400 -6.836 83 2HG2 VAL 9 2HG2 VAL 9 2.480 -4.872 -5.854 84 3HG2 VAL 9 3HG2 VAL 9 2.766 -4.979 -7.610 85 H GLU 10 H GLU 10 -0.928 -5.760 -9.465 86 HA GLU 10 HA GLU 10 1.062 -7.496 -10.894 87 1HB GLU 10 2HB GLU 10 -1.845 -7.068 -11.550 88 2HB GLU 10 3HB GLU 10 -0.723 -8.092 -12.429 89 1HG GLU 10 2HG GLU 10 -1.408 -8.612 -9.488 90 2HG GLU 10 3HG GLU 10 -2.319 -9.277 -10.840 91 H GLY 11 H GLY 11 1.861 -6.621 -12.771 92 1HA GLY 11 1HA GLY 11 1.607 -5.348 -14.773 93 2HA GLY 11 2HA GLY 11 0.624 -4.151 -13.929 94 H MET 12 H MET 12 2.454 -3.865 -11.614 95 HA MET 12 HA MET 12 3.955 -1.720 -12.734 96 1HB MET 12 2HB MET 12 4.443 -3.016 -10.023 97 2HB MET 12 3HB MET 12 4.927 -1.400 -10.560 98 1HG MET 12 2HG MET 12 2.422 -0.907 -10.891 99 2HG MET 12 3HG MET 12 2.131 -2.427 -10.026 100 1HE MET 12 1HE MET 12 0.654 -0.194 -8.856 101 2HE MET 12 2HE MET 12 0.882 -1.722 -7.985 102 3HE MET 12 3HE MET 12 1.144 -0.187 -7.137 103 H THR 13 H THR 13 6.067 -1.547 -13.453 104 HA THR 13 HA THR 13 7.984 -3.723 -12.893 105 HB THR 13 HB THR 13 7.103 -2.865 -15.654 106 HG1 THR 13 1HG THR 13 6.474 -4.865 -14.022 107 1HG2 THR 13 1HG2 THR 13 9.499 -4.530 -14.796 108 2HG2 THR 13 2HG2 THR 13 8.883 -4.411 -16.462 109 3HG2 THR 13 3HG2 THR 13 9.540 -2.974 -15.659 110 H CYS 14 HN CYS 14 7.593 -0.528 -14.651 111 HA CYS 14 HA CYS 14 10.393 0.022 -14.168 112 1HB CYS 14 2HB CYS 14 9.948 2.153 -15.191 113 2HB CYS 14 3HB CYS 14 9.193 0.870 -16.136 114 H HIS 15 H HIS 15 11.201 1.777 -12.856 115 HA HIS 15 HA HIS 15 10.095 1.793 -10.237 116 1HB HIS 15 2HB HIS 15 11.839 3.224 -9.610 117 2HB HIS 15 3HB HIS 15 12.513 2.109 -10.795 118 HD1 HIS 15 1HD HIS 15 11.333 5.780 -10.512 119 HD2 HIS 15 2HD HIS 15 13.734 3.248 -12.864 120 HE1 HIS 15 1HE HIS 15 12.652 7.287 -12.102 121 H SER 16 H SER 16 9.305 3.681 -13.070 122 HA SER 16 HA SER 16 8.486 6.066 -11.792 123 1HB SER 16 2HB SER 16 7.371 4.905 -14.366 124 2HB SER 16 3HB SER 16 7.393 6.596 -13.848 125 HG SER 16 HG SER 16 9.154 6.028 -15.275 126 H CYS 17 HN CYS 17 6.562 3.103 -12.709 127 HA CYS 17 HA CYS 17 4.067 4.031 -11.772 128 1HB CYS 17 2HB CYS 17 5.189 1.186 -11.708 129 2HB CYS 17 3HB CYS 17 3.502 1.656 -11.495 130 H THR 18 H THR 18 6.526 2.059 -10.089 131 HA THR 18 HA THR 18 5.211 1.864 -7.621 132 HB THR 18 HB THR 18 7.425 1.197 -6.755 133 HG1 THR 18 1HG THR 18 9.194 1.305 -8.164 134 1HG2 THR 18 1HG2 THR 18 7.104 0.103 -9.595 135 2HG2 THR 18 2HG2 THR 18 7.778 -0.720 -8.181 136 3HG2 THR 18 3HG2 THR 18 6.041 -0.370 -8.262 137 H SER 19 H SER 19 7.867 4.103 -8.556 138 HA SER 19 HA SER 19 7.878 5.680 -6.227 139 1HB SER 19 2HB SER 19 9.593 5.725 -7.991 140 2HB SER 19 3HB SER 19 8.463 6.571 -9.077 141 HG SER 19 HG SER 19 9.928 7.965 -7.896 142 H THR 20 H THR 20 5.840 6.150 -9.186 143 HA THR 20 HA THR 20 4.730 8.643 -8.374 144 HB THR 20 HB THR 20 3.542 6.447 -10.132 145 HG1 THR 20 1HG THR 20 5.442 7.278 -10.931 146 1HG2 THR 20 1HG2 THR 20 2.773 9.387 -9.837 147 2HG2 THR 20 2HG2 THR 20 2.198 8.294 -11.113 148 3HG2 THR 20 3HG2 THR 20 1.747 7.989 -9.428 149 H ILE 21 H ILE 21 3.573 5.245 -7.845 150 HA ILE 21 HA ILE 21 1.271 5.984 -6.320 151 HB ILE 21 HB ILE 21 2.978 3.572 -6.927 152 1HG1 ILE 21 2HG1 ILE 21 -0.023 3.590 -6.984 153 2HG1 ILE 21 3HG1 ILE 21 0.783 4.658 -8.129 154 1HG2 ILE 21 1HG2 ILE 21 0.888 3.570 -4.768 155 2HG2 ILE 21 2HG2 ILE 21 1.579 2.130 -5.565 156 3HG2 ILE 21 3HG2 ILE 21 2.635 3.201 -4.626 157 1HD1 ILE 21 1HD1 ILE 21 1.885 1.893 -7.960 158 2HD1 ILE 21 2HD1 ILE 21 0.281 2.092 -8.677 159 3HD1 ILE 21 3HD1 ILE 21 1.673 2.952 -9.366 160 H GLU 22 H GLU 22 4.635 5.107 -5.414 161 HA GLU 22 HA GLU 22 4.319 5.186 -2.681 162 1HB GLU 22 2HB GLU 22 6.570 5.156 -4.499 163 2HB GLU 22 3HB GLU 22 6.927 6.254 -3.189 164 1HG GLU 22 2HG GLU 22 6.289 4.444 -1.558 165 2HG GLU 22 3HG GLU 22 5.949 3.375 -2.931 166 H GLY 23 H GLY 23 5.153 7.908 -4.852 167 1HA GLY 23 1HA GLY 23 5.100 10.024 -3.003 168 2HA GLY 23 2HA GLY 23 4.677 10.138 -4.720 169 H LYS 24 H LYS 24 2.383 8.799 -5.079 170 HA LYS 24 HA LYS 24 0.562 10.710 -4.133 171 1HB LYS 24 2HB LYS 24 0.470 9.097 -6.225 172 2HB LYS 24 3HB LYS 24 -0.356 8.009 -5.136 173 1HG LYS 24 2HG LYS 24 -2.235 9.134 -5.788 174 2HG LYS 24 3HG LYS 24 -1.732 10.345 -4.609 175 1HD LYS 24 2HD LYS 24 -0.356 11.420 -6.519 176 2HD LYS 24 3HD LYS 24 -1.171 10.284 -7.607 177 1HE LYS 24 2HE LYS 24 -3.398 11.251 -6.593 178 2HE LYS 24 3HE LYS 24 -2.373 12.549 -5.960 179 1HZ LYS 24 1HZ LYS 24 -2.763 11.820 -8.790 180 2HZ LYS 24 2HZ LYS 24 -3.291 13.181 -8.041 181 3HZ LYS 24 3HZ LYS 24 -1.680 12.951 -8.278 182 H ILE 25 H ILE 25 0.744 7.277 -3.251 183 HA ILE 25 HA ILE 25 -1.269 7.456 -1.196 184 HB ILE 25 HB ILE 25 0.768 5.356 -1.953 185 1HG1 ILE 25 2HG1 ILE 25 -1.141 4.035 -2.541 186 2HG1 ILE 25 3HG1 ILE 25 -2.251 5.339 -2.035 187 1HG2 ILE 25 1HG2 ILE 25 -0.237 3.827 -0.501 188 2HG2 ILE 25 2HG2 ILE 25 0.090 5.187 0.585 189 3HG2 ILE 25 3HG2 ILE 25 -1.544 4.926 -0.038 190 1HD1 ILE 25 1HD1 ILE 25 -0.294 5.573 -4.280 191 2HD1 ILE 25 2HD1 ILE 25 -1.985 5.042 -4.470 192 3HD1 ILE 25 3HD1 ILE 25 -1.653 6.672 -3.846 193 H GLY 26 H GLY 26 2.248 7.608 -1.246 194 1HA GLY 26 1HA GLY 26 2.898 7.815 1.453 195 2HA GLY 26 2HA GLY 26 3.630 8.828 0.196 196 H LYS 27 H LYS 27 1.078 10.234 -0.503 197 HA LYS 27 HA LYS 27 1.074 12.128 1.739 198 1HB LYS 27 2HB LYS 27 1.678 12.907 -0.409 199 2HB LYS 27 3HB LYS 27 0.238 12.235 -1.177 200 1HG LYS 27 2HG LYS 27 -1.167 13.803 -0.335 201 2HG LYS 27 3HG LYS 27 -0.140 14.207 1.048 202 1HD LYS 27 2HD LYS 27 1.070 14.797 -1.623 203 2HD LYS 27 3HD LYS 27 -0.378 15.742 -1.239 204 1HE LYS 27 2HE LYS 27 0.575 16.490 0.888 205 2HE LYS 27 3HE LYS 27 2.012 15.479 0.654 206 1HZ LYS 27 1HZ LYS 27 1.238 17.741 -1.075 207 2HZ LYS 27 2HZ LYS 27 2.375 17.791 0.109 208 3HZ LYS 27 3HZ LYS 27 2.611 16.838 -1.206 209 H LEU 28 H LEU 28 -0.662 9.329 1.482 210 HA LEU 28 HA LEU 28 -3.332 10.327 1.956 211 1HB LEU 28 2HB LEU 28 -1.902 7.774 2.811 212 2HB LEU 28 3HB LEU 28 -3.579 8.163 3.111 213 HG LEU 28 HG LEU 28 -2.314 7.127 0.677 214 1HD1 LEU 28 1HD1 LEU 28 -4.482 6.068 0.438 215 2HD1 LEU 28 2HD1 LEU 28 -3.863 5.908 2.097 216 3HD1 LEU 28 3HD1 LEU 28 -5.136 7.099 1.736 217 1HD2 LEU 28 1HD2 LEU 28 -4.563 9.164 0.356 218 2HD2 LEU 28 2HD2 LEU 28 -2.907 9.335 -0.283 219 3HD2 LEU 28 3HD2 LEU 28 -3.962 8.060 -0.894 220 H GLN 29 H GLN 29 -4.339 10.542 3.985 221 HA GLN 29 HA GLN 29 -2.575 11.281 6.250 222 1HB GLN 29 2HB GLN 29 -4.299 12.844 5.638 223 2HB GLN 29 3HB GLN 29 -5.565 11.612 5.766 224 1HG GLN 29 2HG GLN 29 -5.566 11.638 8.073 225 2HG GLN 29 3HG GLN 29 -3.839 12.000 8.186 226 1HE2 GLN 29 2HE2 GLN 29 -3.591 13.914 9.281 227 2HE2 GLN 29 1HE2 GLN 29 -4.509 15.363 8.917 228 H GLY 30 H GLY 30 -2.216 9.810 7.821 229 1HA GLY 30 1HA GLY 30 -3.180 8.393 9.552 230 2HA GLY 30 2HA GLY 30 -4.179 7.595 8.339 231 H VAL 31 H VAL 31 -1.229 8.236 6.919 232 HA VAL 31 HA VAL 31 -0.404 5.454 7.232 233 HB VAL 31 HB VAL 31 -0.929 6.840 5.059 234 1HG1 VAL 31 1HG1 VAL 31 1.999 7.619 5.342 235 2HG1 VAL 31 2HG1 VAL 31 0.900 7.977 4.000 236 3HG1 VAL 31 3HG1 VAL 31 0.627 8.723 5.582 237 1HG2 VAL 31 1HG2 VAL 31 1.593 5.120 5.196 238 2HG2 VAL 31 2HG2 VAL 31 -0.072 4.514 5.043 239 3HG2 VAL 31 3HG2 VAL 31 0.645 5.475 3.739 240 H GLN 32 H GLN 32 1.839 4.923 7.533 241 HA GLN 32 HA GLN 32 3.454 7.006 8.987 242 1HB GLN 32 2HB GLN 32 3.055 4.071 9.510 243 2HB GLN 32 3HB GLN 32 4.302 5.042 10.293 244 1HG GLN 32 2HG GLN 32 1.577 6.152 10.513 245 2HG GLN 32 3HG GLN 32 1.828 4.637 11.372 246 1HE2 GLN 32 2HE2 GLN 32 3.836 4.562 12.884 247 2HE2 GLN 32 1HE2 GLN 32 4.199 6.076 13.707 248 H ARG 33 H ARG 33 3.497 4.045 6.855 249 HA ARG 33 HA ARG 33 5.840 5.107 5.530 250 1HB ARG 33 2HB ARG 33 6.567 3.705 7.637 251 2HB ARG 33 3HB ARG 33 6.150 2.297 6.657 252 1HG ARG 33 2HG ARG 33 7.780 2.969 4.937 253 2HG ARG 33 3HG ARG 33 8.043 4.508 5.792 254 1HD ARG 33 2HD ARG 33 8.695 3.020 7.814 255 2HD ARG 33 3HD ARG 33 8.861 1.707 6.627 256 HE ARG 33 HE ARG 33 10.270 3.835 5.539 257 1HH1 ARG 33 1HH2 ARG 33 10.464 1.988 8.527 258 2HH1 ARG 33 2HH2 ARG 33 12.054 2.525 8.967 259 1HH2 ARG 33 1HH1 ARG 33 12.379 4.619 6.090 260 2HH2 ARG 33 2HH1 ARG 33 13.189 4.031 7.505 261 H ILE 34 H ILE 34 6.384 3.667 3.637 262 HA ILE 34 HA ILE 34 4.221 2.114 2.567 263 HB ILE 34 HB ILE 34 3.354 4.383 2.303 264 1HG1 ILE 34 2HG1 ILE 34 4.444 3.105 -0.233 265 2HG1 ILE 34 3HG1 ILE 34 2.939 2.742 0.619 266 1HG2 ILE 34 1HG2 ILE 34 4.451 6.156 1.129 267 2HG2 ILE 34 2HG2 ILE 34 5.539 5.645 2.407 268 3HG2 ILE 34 3HG2 ILE 34 5.848 5.137 0.733 269 1HD1 ILE 34 1HD1 ILE 34 3.617 5.377 -0.714 270 2HD1 ILE 34 2HD1 ILE 34 2.474 4.146 -1.291 271 3HD1 ILE 34 3HD1 ILE 34 2.172 5.049 0.227 272 H LYS 35 H LYS 35 5.166 0.831 0.976 273 HA LYS 35 HA LYS 35 7.619 1.639 -0.221 274 1HB LYS 35 2HB LYS 35 7.596 -0.569 1.790 275 2HB LYS 35 3HB LYS 35 8.433 -0.869 0.263 276 1HG LYS 35 2HG LYS 35 9.014 1.408 2.183 277 2HG LYS 35 3HG LYS 35 9.852 -0.146 2.111 278 1HD LYS 35 2HD LYS 35 10.330 0.398 -0.396 279 2HD LYS 35 3HD LYS 35 9.696 1.998 -0.039 280 1HE LYS 35 2HE LYS 35 12.078 2.156 0.109 281 2HE LYS 35 3HE LYS 35 11.442 2.273 1.757 282 1HZ LYS 35 1HZ LYS 35 12.581 -0.147 0.503 283 2HZ LYS 35 2HZ LYS 35 13.337 0.799 1.614 284 3HZ LYS 35 3HZ LYS 35 12.007 -0.067 2.042 285 H VAL 36 H VAL 36 7.857 0.800 -2.383 286 HA VAL 36 HA VAL 36 6.074 -1.529 -3.011 287 HB VAL 36 HB VAL 36 6.420 0.962 -4.713 288 1HG1 VAL 36 1HG1 VAL 36 4.675 -0.097 -6.141 289 2HG1 VAL 36 2HG1 VAL 36 6.128 -1.101 -6.083 290 3HG1 VAL 36 3HG1 VAL 36 4.710 -1.545 -5.118 291 1HG2 VAL 36 1HG2 VAL 36 4.880 1.404 -2.820 292 2HG2 VAL 36 2HG2 VAL 36 4.007 1.307 -4.347 293 3HG2 VAL 36 3HG2 VAL 36 3.965 -0.061 -3.219 294 H SER 37 H SER 37 6.825 -3.059 -4.369 295 HA SER 37 HA SER 37 9.662 -2.885 -5.296 296 1HB SER 37 2HB SER 37 8.125 -5.191 -4.208 297 2HB SER 37 3HB SER 37 9.789 -5.266 -4.815 298 HG SER 37 HG SER 37 9.629 -5.025 -2.493 299 H LEU 38 H LEU 38 9.960 -3.371 -7.433 300 HA LEU 38 HA LEU 38 7.696 -4.055 -9.131 301 1HB LEU 38 2HB LEU 38 9.458 -4.114 -10.933 302 2HB LEU 38 3HB LEU 38 8.993 -2.580 -10.219 303 HG LEU 38 HG LEU 38 11.326 -3.826 -8.863 304 1HD1 LEU 38 1HD1 LEU 38 12.952 -3.377 -10.567 305 2HD1 LEU 38 2HD1 LEU 38 11.797 -4.589 -11.143 306 3HD1 LEU 38 3HD1 LEU 38 11.694 -2.912 -11.725 307 1HD2 LEU 38 1HD2 LEU 38 12.137 -1.543 -8.955 308 2HD2 LEU 38 2HD2 LEU 38 10.878 -1.103 -10.132 309 3HD2 LEU 38 3HD2 LEU 38 10.423 -1.536 -8.472 310 H ASP 39 H ASP 39 10.883 -5.687 -8.357 311 HA ASP 39 HA ASP 39 10.693 -7.697 -10.127 312 1HB ASP 39 2HB ASP 39 11.806 -8.088 -7.305 313 2HB ASP 39 3HB ASP 39 12.306 -8.886 -8.787 314 H ASN 40 H ASN 40 9.812 -7.863 -6.711 315 HA ASN 40 HA ASN 40 8.543 -10.432 -7.054 316 1HB ASN 40 2HB ASN 40 10.023 -9.721 -5.132 317 2HB ASN 40 3HB ASN 40 8.574 -8.904 -4.515 318 1HD2 ASN 40 2HD2 ASN 40 9.267 -10.562 -2.706 319 2HD2 ASN 40 1HD2 ASN 40 8.550 -12.160 -2.842 320 H GLN 41 H GLN 41 7.484 -7.634 -8.034 321 HA GLN 41 HA GLN 41 5.808 -6.194 -7.834 322 1HB GLN 41 2HB GLN 41 5.522 -8.438 -9.394 323 2HB GLN 41 3HB GLN 41 3.927 -8.327 -8.693 324 1HG GLN 41 2HG GLN 41 3.556 -6.183 -9.694 325 2HG GLN 41 3HG GLN 41 5.278 -5.843 -9.872 326 1HE2 GLN 41 2HE2 GLN 41 6.549 -7.387 -11.271 327 2HE2 GLN 41 1HE2 GLN 41 5.780 -7.816 -12.798 328 H GLU 42 H GLU 42 6.011 -5.938 -5.514 329 HA GLU 42 HA GLU 42 3.497 -6.680 -4.120 330 1HB GLU 42 2HB GLU 42 5.800 -8.065 -3.537 331 2HB GLU 42 3HB GLU 42 5.950 -6.698 -2.420 332 1HG GLU 42 2HG GLU 42 3.575 -7.189 -1.650 333 2HG GLU 42 3HG GLU 42 3.585 -8.589 -2.737 334 H ALA 43 H ALA 43 2.715 -5.171 -2.764 335 HA ALA 43 HA ALA 43 4.177 -2.595 -2.500 336 1HB ALA 43 1HB ALA 43 1.820 -1.596 -2.450 337 2HB ALA 43 2HB ALA 43 2.480 -2.107 -4.016 338 3HB ALA 43 3HB ALA 43 1.291 -3.119 -3.210 339 H THR 44 H THR 44 4.357 -1.844 -0.579 340 HA THR 44 HA THR 44 3.417 -3.272 1.869 341 HB THR 44 HB THR 44 5.814 -1.433 1.252 342 HG1 THR 44 1HG THR 44 5.453 -4.181 1.084 343 1HG2 THR 44 1HG2 THR 44 5.113 -3.117 3.711 344 2HG2 THR 44 2HG2 THR 44 6.677 -2.319 3.441 345 3HG2 THR 44 3HG2 THR 44 5.211 -1.345 3.613 346 H ILE 45 H ILE 45 1.754 -2.083 2.821 347 HA ILE 45 HA ILE 45 2.037 0.917 2.710 348 HB ILE 45 HB ILE 45 -0.595 -0.524 2.737 349 1HG1 ILE 45 2HG1 ILE 45 0.633 -1.116 0.585 350 2HG1 ILE 45 3HG1 ILE 45 -0.935 -0.303 0.460 351 1HG2 ILE 45 1HG2 ILE 45 -1.370 1.740 1.940 352 2HG2 ILE 45 2HG2 ILE 45 -0.593 1.785 3.541 353 3HG2 ILE 45 3HG2 ILE 45 0.287 2.338 2.113 354 1HD1 ILE 45 1HD1 ILE 45 1.739 1.043 0.097 355 2HD1 ILE 45 2HD1 ILE 45 0.682 0.469 -1.200 356 3HD1 ILE 45 3HD1 ILE 45 0.127 1.765 -0.139 357 H VAL 46 H VAL 46 2.400 1.673 4.710 358 HA VAL 46 HA VAL 46 1.750 -0.132 6.993 359 HB VAL 46 HB VAL 46 4.060 1.789 6.868 360 1HG1 VAL 46 1HG1 VAL 46 5.000 0.224 8.555 361 2HG1 VAL 46 2HG1 VAL 46 3.495 1.011 9.032 362 3HG1 VAL 46 3HG1 VAL 46 3.471 -0.684 8.520 363 1HG2 VAL 46 1HG2 VAL 46 5.491 -0.212 6.282 364 2HG2 VAL 46 2HG2 VAL 46 3.996 -1.084 5.891 365 3HG2 VAL 46 3HG2 VAL 46 4.467 0.361 4.962 366 H TYR 47 H TYR 47 0.142 0.707 8.230 367 HA TYR 47 HA TYR 47 -0.050 3.648 8.488 368 1HB TYR 47 2HB TYR 47 -2.096 3.868 7.399 369 2HB TYR 47 3HB TYR 47 -1.266 2.750 6.332 370 HD1 TYR 47 1HD TYR 47 -1.934 0.297 6.387 371 HD2 TYR 47 2HD TYR 47 -4.006 3.260 8.709 372 HE1 TYR 47 1HE TYR 47 -3.979 -1.128 6.443 373 HE2 TYR 47 2HE TYR 47 -5.942 1.733 8.923 374 HH TYR 47 HH TYR 47 -5.780 -1.619 7.961 375 H GLN 48 H GLN 48 -1.861 4.329 9.779 376 HA GLN 48 HA GLN 48 -1.739 2.878 12.305 377 1HB GLN 48 2HB GLN 48 -1.323 5.415 11.690 378 2HB GLN 48 3HB GLN 48 -3.065 5.547 11.824 379 1HG GLN 48 2HG GLN 48 -2.313 6.024 14.006 380 2HG GLN 48 3HG GLN 48 -2.796 4.332 14.132 381 1HE2 GLN 48 2HE2 GLN 48 0.064 6.458 13.490 382 2HE2 GLN 48 1HE2 GLN 48 1.232 5.363 14.201 383 HA PRO 49 HA PRO 49 -5.915 1.412 11.047 384 1HB PRO 49 2HB PRO 49 -6.314 -0.588 12.823 385 2HB PRO 49 3HB PRO 49 -5.152 -0.713 11.474 386 1HG PRO 49 2HG PRO 49 -4.544 0.108 14.333 387 2HG PRO 49 3HG PRO 49 -3.761 -1.184 13.383 388 1HD PRO 49 2HD PRO 49 -2.668 1.286 13.538 389 2HD PRO 49 3HD PRO 49 -2.668 0.401 11.981 390 H HIS 50 H HIS 50 -6.386 3.644 11.769 391 HA HIS 50 HA HIS 50 -8.627 3.696 13.542 392 1HB HIS 50 2HB HIS 50 -5.985 4.827 14.530 393 2HB HIS 50 3HB HIS 50 -7.470 5.707 14.882 394 HD1 HIS 50 1HD HIS 50 -5.508 3.966 16.977 395 HD2 HIS 50 2HD HIS 50 -9.469 3.389 15.682 396 HE1 HIS 50 1HE HIS 50 -6.718 2.710 18.840 397 H LEU 51 H LEU 51 -6.048 5.746 12.077 398 HA LEU 51 HA LEU 51 -7.903 7.911 11.588 399 1HB LEU 51 2HB LEU 51 -5.144 7.371 10.625 400 2HB LEU 51 3HB LEU 51 -6.026 8.831 10.188 401 HG LEU 51 HG LEU 51 -5.398 8.028 13.065 402 1HD1 LEU 51 1HD1 LEU 51 -3.796 9.935 12.980 403 2HD1 LEU 51 2HD1 LEU 51 -3.352 8.647 11.854 404 3HD1 LEU 51 3HD1 LEU 51 -4.132 10.128 11.248 405 1HD2 LEU 51 1HD2 LEU 51 -7.389 9.417 13.063 406 2HD2 LEU 51 2HD2 LEU 51 -6.038 10.459 13.493 407 3HD2 LEU 51 3HD2 LEU 51 -6.692 10.509 11.844 408 H ILE 52 H ILE 52 -6.551 5.294 9.514 409 HA ILE 52 HA ILE 52 -8.584 5.879 7.509 410 HB ILE 52 HB ILE 52 -6.050 6.852 7.245 411 1HG1 ILE 52 2HG1 ILE 52 -6.364 6.635 4.769 412 2HG1 ILE 52 3HG1 ILE 52 -7.797 5.658 5.200 413 1HG2 ILE 52 1HG2 ILE 52 -4.650 5.475 5.860 414 2HG2 ILE 52 2HG2 ILE 52 -4.945 4.687 7.405 415 3HG2 ILE 52 3HG2 ILE 52 -5.785 4.117 5.925 416 1HD1 ILE 52 1HD1 ILE 52 -7.333 8.534 6.138 417 2HD1 ILE 52 2HD1 ILE 52 -8.227 8.135 4.664 418 3HD1 ILE 52 3HD1 ILE 52 -8.853 7.626 6.236 419 H SER 53 H SER 53 -8.334 3.782 5.859 420 HA SER 53 HA SER 53 -8.188 1.366 7.604 421 1HB SER 53 2HB SER 53 -10.364 0.687 6.729 422 2HB SER 53 3HB SER 53 -10.515 2.282 7.485 423 HG SER 53 HG SER 53 -11.511 2.399 5.481 424 H VAL 54 H VAL 54 -8.066 -0.614 6.375 425 HA VAL 54 HA VAL 54 -6.377 -0.861 4.206 426 HB VAL 54 HB VAL 54 -8.617 -2.534 5.313 427 1HG1 VAL 54 1HG1 VAL 54 -8.940 -3.046 2.963 428 2HG1 VAL 54 2HG1 VAL 54 -7.184 -3.186 2.708 429 3HG1 VAL 54 3HG1 VAL 54 -8.048 -4.371 3.706 430 1HG2 VAL 54 1HG2 VAL 54 -6.279 -2.496 6.275 431 2HG2 VAL 54 2HG2 VAL 54 -6.804 -4.099 5.748 432 3HG2 VAL 54 3HG2 VAL 54 -5.689 -3.154 4.741 433 H GLU 55 H GLU 55 -9.895 -0.341 4.128 434 HA GLU 55 HA GLU 55 -10.179 -0.743 1.348 435 1HB GLU 55 2HB GLU 55 -11.993 -0.944 2.955 436 2HB GLU 55 3HB GLU 55 -11.906 0.794 3.244 437 1HG GLU 55 2HG GLU 55 -12.270 0.051 0.378 438 2HG GLU 55 3HG GLU 55 -13.592 -0.446 1.448 439 H GLU 56 H GLU 56 -10.045 2.464 3.101 440 HA GLU 56 HA GLU 56 -9.894 4.249 1.070 441 1HB GLU 56 2HB GLU 56 -8.636 3.922 3.777 442 2HB GLU 56 3HB GLU 56 -7.997 5.196 2.770 443 1HG GLU 56 2HG GLU 56 -10.982 4.934 3.248 444 2HG GLU 56 3HG GLU 56 -9.911 5.776 4.377 445 H MET 57 H MET 57 -6.972 2.480 2.401 446 HA MET 57 HA MET 57 -5.202 3.302 0.444 447 1HB MET 57 2HB MET 57 -5.001 0.488 1.314 448 2HB MET 57 3HB MET 57 -3.795 1.760 1.159 449 1HG MET 57 2HG MET 57 -4.957 2.846 3.218 450 2HG MET 57 3HG MET 57 -5.673 1.223 3.391 451 1HE MET 57 1HE MET 57 -3.104 -0.550 2.330 452 2HE MET 57 2HE MET 57 -2.534 -0.987 3.956 453 3HE MET 57 3HE MET 57 -4.269 -1.010 3.593 454 H LYS 58 H LYS 58 -7.100 0.203 0.312 455 HA LYS 58 HA LYS 58 -6.186 -0.395 -2.346 456 1HB LYS 58 2HB LYS 58 -6.765 -2.157 -1.507 457 2HB LYS 58 3HB LYS 58 -8.195 -1.600 -0.534 458 1HG LYS 58 2HG LYS 58 -8.178 -1.833 -3.602 459 2HG LYS 58 3HG LYS 58 -8.293 -3.247 -2.618 460 1HD LYS 58 2HD LYS 58 -10.200 -1.292 -1.589 461 2HD LYS 58 3HD LYS 58 -10.378 -1.430 -3.350 462 1HE LYS 58 2HE LYS 58 -10.594 -3.880 -3.177 463 2HE LYS 58 3HE LYS 58 -10.354 -3.803 -1.422 464 1HZ LYS 58 1HZ LYS 58 -12.575 -2.577 -2.909 465 2HZ LYS 58 2HZ LYS 58 -12.664 -3.968 -2.036 466 3HZ LYS 58 3HZ LYS 58 -12.385 -2.536 -1.268 467 H LYS 59 H LYS 59 -9.371 0.891 -1.387 468 HA LYS 59 HA LYS 59 -10.534 1.464 -3.769 469 1HB LYS 59 2HB LYS 59 -11.217 1.874 -1.344 470 2HB LYS 59 3HB LYS 59 -10.468 3.454 -1.483 471 1HG LYS 59 2HG LYS 59 -12.593 2.448 -3.439 472 2HG LYS 59 3HG LYS 59 -13.015 3.105 -1.855 473 1HD LYS 59 2HD LYS 59 -11.903 5.210 -2.321 474 2HD LYS 59 3HD LYS 59 -11.419 4.645 -3.939 475 1HE LYS 59 2HE LYS 59 -13.763 4.393 -4.618 476 2HE LYS 59 3HE LYS 59 -14.326 4.757 -2.977 477 1HZ LYS 59 1HZ LYS 59 -12.889 6.649 -4.708 478 2HZ LYS 59 2HZ LYS 59 -14.514 6.643 -4.430 479 3HZ LYS 59 3HZ LYS 59 -13.470 6.956 -3.195 480 H GLN 60 H GLN 60 -8.140 3.651 -2.087 481 HA GLN 60 HA GLN 60 -7.986 5.370 -4.443 482 1HB GLN 60 2HB GLN 60 -6.257 5.028 -2.006 483 2HB GLN 60 3HB GLN 60 -5.674 5.956 -3.379 484 1HG GLN 60 2HG GLN 60 -6.600 7.667 -2.218 485 2HG GLN 60 3HG GLN 60 -7.928 7.262 -3.290 486 1HE2 GLN 60 2HE2 GLN 60 -6.705 7.199 0.012 487 2HE2 GLN 60 1HE2 GLN 60 -8.268 6.987 0.775 488 H ILE 61 H ILE 61 -6.035 2.521 -3.496 489 HA ILE 61 HA ILE 61 -4.052 2.954 -5.553 490 HB ILE 61 HB ILE 61 -4.680 0.571 -3.826 491 1HG1 ILE 61 2HG1 ILE 61 -2.449 2.660 -3.907 492 2HG1 ILE 61 3HG1 ILE 61 -3.797 2.774 -2.825 493 1HG2 ILE 61 1HG2 ILE 61 -3.658 -0.219 -5.946 494 2HG2 ILE 61 2HG2 ILE 61 -2.412 1.040 -5.823 495 3HG2 ILE 61 3HG2 ILE 61 -2.475 -0.298 -4.651 496 1HD1 ILE 61 1HD1 ILE 61 -1.680 0.626 -2.796 497 2HD1 ILE 61 2HD1 ILE 61 -2.040 1.848 -1.561 498 3HD1 ILE 61 3HD1 ILE 61 -3.204 0.540 -1.867 499 H GLU 62 H GLU 62 -6.637 0.368 -5.303 500 HA GLU 62 HA GLU 62 -6.647 -0.454 -7.940 501 1HB GLU 62 2HB GLU 62 -8.346 -0.622 -5.574 502 2HB GLU 62 3HB GLU 62 -9.347 -0.082 -6.878 503 1HG GLU 62 2HG GLU 62 -8.513 -2.078 -8.198 504 2HG GLU 62 3HG GLU 62 -7.602 -2.582 -6.766 505 H ALA 63 H ALA 63 -8.164 2.605 -6.625 506 HA ALA 63 HA ALA 63 -9.561 3.261 -8.972 507 1HB ALA 63 1HB ALA 63 -8.129 5.116 -7.062 508 2HB ALA 63 2HB ALA 63 -9.334 5.617 -8.259 509 3HB ALA 63 3HB ALA 63 -9.816 4.551 -6.930 510 H MET 64 H MET 64 -6.028 3.481 -8.425 511 HA MET 64 HA MET 64 -5.354 5.112 -10.663 512 1HB MET 64 2HB MET 64 -3.904 2.740 -9.456 513 2HB MET 64 3HB MET 64 -3.262 3.896 -10.612 514 1HG MET 64 2HG MET 64 -4.113 4.587 -7.778 515 2HG MET 64 3HG MET 64 -2.486 4.331 -8.398 516 1HE MET 64 1HE MET 64 -2.588 6.772 -6.819 517 2HE MET 64 2HE MET 64 -1.213 6.402 -7.891 518 3HE MET 64 3HE MET 64 -1.941 8.017 -7.920 519 H GLY 65 H GLY 65 -6.061 1.625 -10.286 520 1HA GLY 65 1HA GLY 65 -7.250 0.677 -12.299 521 2HA GLY 65 2HA GLY 65 -5.819 1.150 -13.234 522 H PHE 66 H PHE 66 -4.337 0.468 -10.483 523 HA PHE 66 HA PHE 66 -3.395 -2.059 -11.500 524 1HB PHE 66 2HB PHE 66 -2.758 -0.519 -8.985 525 2HB PHE 66 3HB PHE 66 -1.770 -1.837 -9.652 526 HD1 PHE 66 1HD PHE 66 -1.194 -1.385 -12.334 527 HD2 PHE 66 2HD PHE 66 -1.945 1.621 -9.334 528 HE1 PHE 66 1HE PHE 66 -0.290 0.364 -13.846 529 HE2 PHE 66 2HE PHE 66 -0.977 3.348 -10.828 530 HZ PHE 66 HZ PHE 66 -0.295 2.742 -13.127 531 HA PRO 67 HA PRO 67 -6.242 -4.220 -8.623 532 1HB PRO 67 2HB PRO 67 -5.714 -6.803 -9.313 533 2HB PRO 67 3HB PRO 67 -6.696 -5.721 -10.349 534 1HG PRO 67 2HG PRO 67 -3.754 -6.354 -10.598 535 2HG PRO 67 3HG PRO 67 -4.982 -6.401 -11.895 536 1HD PRO 67 2HD PRO 67 -3.330 -4.266 -11.499 537 2HD PRO 67 3HD PRO 67 -5.022 -4.028 -12.043 538 H ALA 68 H ALA 68 -5.769 -4.953 -6.533 539 HA ALA 68 HA ALA 68 -2.977 -5.725 -5.913 540 1HB ALA 68 1HB ALA 68 -2.946 -4.281 -4.013 541 2HB ALA 68 2HB ALA 68 -3.233 -3.292 -5.466 542 3HB ALA 68 3HB ALA 68 -4.579 -3.662 -4.365 543 H PHE 69 H PHE 69 -2.801 -7.271 -4.300 544 HA PHE 69 HA PHE 69 -5.362 -8.340 -3.134 545 1HB PHE 69 2HB PHE 69 -2.911 -9.615 -4.188 546 2HB PHE 69 3HB PHE 69 -3.871 -10.444 -2.973 547 HD1 PHE 69 1HD PHE 69 -3.717 -9.429 -6.507 548 HD2 PHE 69 2HD PHE 69 -6.210 -11.119 -3.414 549 HE1 PHE 69 1HE PHE 69 -5.167 -10.461 -8.229 550 HE2 PHE 69 2HE PHE 69 -7.653 -12.151 -5.144 551 HZ PHE 69 HZ PHE 69 -7.127 -11.837 -7.553 552 H VAL 70 H VAL 70 -5.063 -6.713 -1.497 553 HA VAL 70 HA VAL 70 -3.009 -6.785 0.515 554 HB VAL 70 HB VAL 70 -4.205 -4.868 0.441 555 1HG1 VAL 70 1HG1 VAL 70 -6.741 -6.470 0.613 556 2HG1 VAL 70 2HG1 VAL 70 -6.642 -4.710 0.860 557 3HG1 VAL 70 3HG1 VAL 70 -6.172 -5.408 -0.695 558 1HG2 VAL 70 1HG2 VAL 70 -5.291 -6.292 2.882 559 2HG2 VAL 70 2HG2 VAL 70 -3.618 -5.715 2.695 560 3HG2 VAL 70 3HG2 VAL 70 -4.963 -4.563 2.669 561 H LYS 71 H LYS 71 -2.517 -8.871 1.395 562 HA LYS 71 HA LYS 71 -4.656 -9.989 3.052 563 1HB LYS 71 2HB LYS 71 -4.464 -12.202 2.209 564 2HB LYS 71 3HB LYS 71 -5.195 -11.086 1.041 565 1HG LYS 71 2HG LYS 71 -3.124 -10.874 -0.153 566 2HG LYS 71 3HG LYS 71 -2.274 -11.823 1.055 567 1HD LYS 71 2HD LYS 71 -4.147 -13.649 0.521 568 2HD LYS 71 3HD LYS 71 -4.343 -12.751 -0.991 569 1HE LYS 71 2HE LYS 71 -2.012 -13.227 -1.608 570 2HE LYS 71 3HE LYS 71 -1.679 -13.883 0.008 571 1HZ LYS 71 1HZ LYS 71 -3.527 -15.086 -1.943 572 2HZ LYS 71 2HZ LYS 71 -2.023 -15.634 -1.570 573 3HZ LYS 71 3HZ LYS 71 -3.206 -15.661 -0.434 574 H LYS 72 H LYS 72 -2.655 -8.701 4.123 575 HA LYS 72 HA LYS 72 -1.186 -10.732 5.624 576 1HB LYS 72 2HB LYS 72 -0.030 -9.009 3.480 577 2HB LYS 72 3HB LYS 72 0.847 -8.944 4.998 578 1HG LYS 72 2HG LYS 72 0.119 -11.680 3.933 579 2HG LYS 72 3HG LYS 72 1.366 -10.786 3.075 580 1HD LYS 72 2HD LYS 72 2.878 -10.909 4.737 581 2HD LYS 72 3HD LYS 72 1.696 -10.680 6.006 582 1HE LYS 72 2HE LYS 72 1.686 -13.347 4.580 583 2HE LYS 72 3HE LYS 72 3.018 -12.969 5.688 584 1HZ LYS 72 1HZ LYS 72 0.198 -12.815 6.483 585 2HZ LYS 72 2HZ LYS 72 1.255 -14.031 6.872 586 3HZ LYS 72 3HZ LYS 72 1.531 -12.500 7.405 587 H ILE 73 H ILE 73 -1.077 -9.947 7.691 588 HA ILE 73 HA ILE 73 -1.294 -7.028 8.185 589 HB ILE 73 HB ILE 73 -2.871 -9.213 9.655 590 1HG1 ILE 73 2HG1 ILE 73 -4.780 -7.498 8.905 591 2HG1 ILE 73 3HG1 ILE 73 -3.660 -7.144 7.600 592 1HG2 ILE 73 1HG2 ILE 73 -2.141 -7.474 11.231 593 2HG2 ILE 73 2HG2 ILE 73 -2.664 -6.211 10.099 594 3HG2 ILE 73 3HG2 ILE 73 -3.851 -7.263 10.897 595 1HD1 ILE 73 1HD1 ILE 73 -4.825 -9.876 8.328 596 2HD1 ILE 73 2HD1 ILE 73 -5.367 -8.831 7.004 597 3HD1 ILE 73 3HD1 ILE 73 -3.770 -9.579 6.936 598 H GLU 74 H GLU 74 1.066 -7.503 8.097 599 HA GLU 74 HA GLU 74 2.070 -9.018 10.460 600 1HB GLU 74 2HB GLU 74 3.258 -8.247 7.872 601 2HB GLU 74 3HB GLU 74 4.263 -7.777 9.233 602 1HG GLU 74 2HG GLU 74 5.062 -9.877 8.915 603 2HG GLU 74 3HG GLU 74 3.813 -10.274 10.086 604 H GLY 75 H GLY 75 3.995 -7.764 11.532 605 1HA GLY 75 1HA GLY 75 2.925 -5.124 12.477 606 2HA GLY 75 2HA GLY 75 3.761 -6.318 13.473 607 H ARG 76 H ARG 76 4.271 -3.432 12.251 608 HA ARG 76 HA ARG 76 6.065 -2.146 12.276 609 1HB ARG 76 2HB ARG 76 6.827 -4.140 13.934 610 2HB ARG 76 3HB ARG 76 8.063 -4.349 12.687 611 1HG ARG 76 2HG ARG 76 8.676 -1.923 12.965 612 2HG ARG 76 3HG ARG 76 7.375 -1.757 14.156 613 1HD ARG 76 2HD ARG 76 9.355 -2.029 15.430 614 2HD ARG 76 3HD ARG 76 8.461 -3.565 15.528 615 HE ARG 76 HE ARG 76 10.348 -3.544 13.338 616 1HH1 ARG 76 1HH2 ARG 76 10.073 -4.043 16.812 617 2HH1 ARG 76 2HH2 ARG 76 11.597 -4.851 17.003 618 1HH2 ARG 76 1HH1 ARG 76 12.448 -4.534 13.554 619 2HH2 ARG 76 2HH1 ARG 76 12.984 -5.129 15.093
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