NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534115 | 2lhd | 17840 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 1HT THR 1 2.413 -13.382 3.987 2 H2 THR 1 2HT THR 1 1.005 -14.155 4.590 3 H3 THR 1 3HT THR 1 1.450 -12.602 5.170 4 HA THR 1 HA THR 1 0.471 -13.343 2.501 5 HB THR 1 HB THR 1 -0.539 -11.328 4.516 6 HG1 THR 1 1HG THR 1 -2.047 -12.893 5.097 7 HG21 THR 1 3HG2 THR 1 -2.555 -11.295 3.294 8 HG22 THR 1 1HG2 THR 1 -2.050 -12.650 2.285 9 HG23 THR 1 2HG2 THR 1 -1.254 -11.085 2.122 10 H THR 2 H THR 2 0.999 -12.073 0.828 11 HA THR 2 HA THR 2 2.925 -9.954 1.251 12 HB THR 2 HB THR 2 1.752 -10.760 -1.400 13 HG1 THR 2 1HG THR 2 2.440 -12.663 -0.433 14 HG21 THR 2 3HG2 THR 2 3.749 -8.943 -0.685 15 HG22 THR 2 1HG2 THR 2 3.345 -9.526 -2.300 16 HG23 THR 2 2HG2 THR 2 4.584 -10.348 -1.350 17 H TYR 3 H TYR 3 2.499 -7.840 1.277 18 HA TYR 3 HA TYR 3 -0.137 -6.950 0.302 19 HB2 TYR 3 2HB TYR 3 1.104 -6.627 2.902 20 HB3 TYR 3 1HB TYR 3 0.731 -5.063 2.183 21 HD1 TYR 3 2HD TYR 3 -0.691 -8.224 3.416 22 HD2 TYR 3 1HD TYR 3 -1.551 -4.359 1.855 23 HE1 TYR 3 2HE TYR 3 -3.043 -8.480 4.086 24 HE2 TYR 3 1HE TYR 3 -3.902 -4.606 2.523 25 HH TYR 3 HH TYR 3 -5.100 -6.176 4.504 26 H LYS 4 H LYS 4 -0.022 -5.615 -1.367 27 HA LYS 4 HA LYS 4 2.480 -4.149 -1.839 28 HB2 LYS 4 2HB LYS 4 1.135 -5.737 -3.551 29 HB3 LYS 4 1HB LYS 4 0.367 -4.198 -3.917 30 HG2 LYS 4 2HG LYS 4 2.703 -3.262 -4.207 31 HG3 LYS 4 1HG LYS 4 3.264 -4.935 -4.174 32 HD2 LYS 4 2HD LYS 4 1.016 -4.538 -5.981 33 HD3 LYS 4 1HD LYS 4 2.410 -3.541 -6.401 34 HE2 LYS 4 2HE LYS 4 2.771 -5.526 -7.571 35 HE3 LYS 4 1HE LYS 4 3.781 -5.691 -6.135 36 HZ1 LYS 4 3HZ LYS 4 2.487 -7.331 -5.301 37 HZ2 LYS 4 1HZ LYS 4 2.139 -7.584 -6.938 38 HZ3 LYS 4 2HZ LYS 4 1.057 -6.721 -5.967 39 H LEU 5 H LEU 5 2.299 -1.943 -2.734 40 HA LEU 5 HA LEU 5 -0.151 -0.542 -1.956 41 HB2 LEU 5 2HB LEU 5 2.243 -0.470 -0.467 42 HB3 LEU 5 1HB LEU 5 2.124 1.075 -1.292 43 HG LEU 5 HG LEU 5 -0.048 -0.093 0.451 44 HD11 LEU 5 1HD1 LEU 5 0.713 1.134 2.232 45 HD12 LEU 5 2HD1 LEU 5 1.603 2.267 1.215 46 HD13 LEU 5 3HD1 LEU 5 2.237 0.645 1.491 47 HD21 LEU 5 3HD2 LEU 5 0.077 2.787 -0.136 48 HD22 LEU 5 1HD2 LEU 5 -1.311 1.704 -0.043 49 HD23 LEU 5 2HD2 LEU 5 -0.326 1.751 -1.505 50 H ILE 6 H ILE 6 -0.745 1.031 -3.320 51 HA ILE 6 HA ILE 6 1.234 2.181 -5.119 52 HB ILE 6 HB ILE 6 -1.361 1.517 -6.394 53 HG12 ILE 6 2HG1 ILE 6 0.851 -0.524 -6.052 54 HG13 ILE 6 1HG1 ILE 6 -0.737 -0.606 -5.296 55 HG21 ILE 6 1HG2 ILE 6 -0.123 2.569 -7.947 56 HG22 ILE 6 2HG2 ILE 6 0.580 0.970 -8.186 57 HG23 ILE 6 3HG2 ILE 6 1.403 2.151 -7.168 58 HD11 ILE 6 3HD1 ILE 6 -1.388 -0.351 -7.925 59 HD12 ILE 6 1HD1 ILE 6 -1.268 -1.877 -7.049 60 HD13 ILE 6 2HD1 ILE 6 0.097 -1.300 -8.004 61 H LEU 7 H LEU 7 1.126 4.269 -4.523 62 HA LEU 7 HA LEU 7 -1.533 5.446 -4.130 63 HB2 LEU 7 2HB LEU 7 1.067 6.684 -3.280 64 HB3 LEU 7 1HB LEU 7 -0.558 7.085 -2.735 65 HG LEU 7 HG LEU 7 -0.402 4.490 -1.956 66 HD11 LEU 7 1HD1 LEU 7 2.016 4.530 -2.759 67 HD12 LEU 7 2HD1 LEU 7 1.714 3.932 -1.129 68 HD13 LEU 7 3HD1 LEU 7 2.336 5.564 -1.367 69 HD21 LEU 7 3HD2 LEU 7 0.561 5.727 0.247 70 HD22 LEU 7 1HD2 LEU 7 -1.123 5.798 -0.273 71 HD23 LEU 7 2HD2 LEU 7 -0.019 7.112 -0.679 72 H ASN 8 H ASN 8 -2.246 7.146 -5.297 73 HA ASN 8 HA ASN 8 -0.395 8.247 -7.311 74 HB2 ASN 8 2HB ASN 8 -2.206 6.651 -8.173 75 HB3 ASN 8 1HB ASN 8 -3.357 7.923 -7.763 76 HD21 ASN 8 1HD2 ASN 8 -2.399 6.699 -10.343 77 HD22 ASN 8 2HD2 ASN 8 -1.978 8.056 -11.325 78 H LEU 9 H LEU 9 -0.010 10.311 -6.916 79 HA LEU 9 HA LEU 9 -2.192 12.145 -6.425 80 HB2 LEU 9 2HB LEU 9 -0.139 11.488 -4.342 81 HB3 LEU 9 1HB LEU 9 -0.826 13.110 -4.423 82 HG LEU 9 HG LEU 9 -3.035 11.398 -4.488 83 HD11 LEU 9 1HD1 LEU 9 -2.188 9.465 -3.688 84 HD12 LEU 9 2HD1 LEU 9 -2.417 10.288 -2.145 85 HD13 LEU 9 3HD1 LEU 9 -0.824 10.256 -2.900 86 HD21 LEU 9 3HD2 LEU 9 -3.017 12.213 -1.940 87 HD22 LEU 9 1HD2 LEU 9 -3.415 13.286 -3.291 88 HD23 LEU 9 2HD2 LEU 9 -1.791 13.297 -2.596 89 H LYS 10 H LYS 10 1.365 11.935 -6.180 90 HA LYS 10 HA LYS 10 1.709 14.570 -7.266 91 HB2 LYS 10 2HB LYS 10 3.837 12.454 -6.963 92 HB3 LYS 10 1HB LYS 10 4.053 14.203 -7.015 93 HG2 LYS 10 2HG LYS 10 2.464 12.900 -4.837 94 HG3 LYS 10 1HG LYS 10 4.223 13.023 -4.752 95 HD2 LYS 10 2HD LYS 10 2.778 15.499 -5.450 96 HD3 LYS 10 1HD LYS 10 2.540 14.906 -3.807 97 HE2 LYS 10 2HE LYS 10 5.119 14.690 -3.768 98 HE3 LYS 10 1HE LYS 10 5.068 15.780 -5.157 99 HZ1 LYS 10 3HZ LYS 10 4.067 17.453 -3.871 100 HZ2 LYS 10 1HZ LYS 10 5.325 16.853 -2.914 101 HZ3 LYS 10 2HZ LYS 10 3.725 16.407 -2.591 102 H GLN 11 H GLN 11 3.864 14.289 -8.984 103 HA GLN 11 HA GLN 11 2.673 13.971 -11.458 104 HB2 GLN 11 2HB GLN 11 5.048 13.734 -12.323 105 HB3 GLN 11 1HB GLN 11 4.714 15.170 -11.357 106 HG2 GLN 11 2HG GLN 11 6.497 14.629 -10.155 107 HG3 GLN 11 1HG GLN 11 5.544 13.303 -9.495 108 HE21 GLN 11 1HE2 GLN 11 7.009 13.823 -12.681 109 HE22 GLN 11 2HE2 GLN 11 7.962 12.383 -12.668 110 H ALA 12 H ALA 12 4.126 11.579 -9.382 111 HA ALA 12 HA ALA 12 3.256 9.498 -11.256 112 HB1 ALA 12 1HB ALA 12 5.472 9.269 -11.720 113 HB2 ALA 12 2HB ALA 12 5.394 8.263 -10.272 114 HB3 ALA 12 3HB ALA 12 5.980 9.924 -10.162 115 H LYS 13 H LYS 13 3.081 7.345 -10.175 116 HA LYS 13 HA LYS 13 1.831 7.702 -7.579 117 HB2 LYS 13 2HB LYS 13 1.183 5.266 -7.925 118 HB3 LYS 13 1HB LYS 13 0.512 6.427 -9.063 119 HG2 LYS 13 2HG LYS 13 3.061 5.162 -9.841 120 HG3 LYS 13 1HG LYS 13 1.640 4.116 -9.800 121 HD2 LYS 13 2HD LYS 13 0.722 6.387 -11.068 122 HD3 LYS 13 1HD LYS 13 2.365 6.216 -11.686 123 HE2 LYS 13 2HE LYS 13 1.693 3.726 -12.021 124 HE3 LYS 13 1HE LYS 13 0.045 4.345 -11.923 125 HZ1 LYS 13 3HZ LYS 13 2.018 4.660 -14.025 126 HZ2 LYS 13 1HZ LYS 13 1.120 6.048 -13.665 127 HZ3 LYS 13 2HZ LYS 13 0.329 4.625 -14.120 128 H GLU 14 H GLU 14 2.199 6.039 -5.859 129 HA GLU 14 HA GLU 14 5.084 5.578 -5.603 130 HB2 GLU 14 2HB GLU 14 2.871 6.094 -3.719 131 HB3 GLU 14 1HB GLU 14 4.070 4.924 -3.167 132 HG2 GLU 14 2HG GLU 14 5.647 6.487 -2.875 133 HG3 GLU 14 1HG GLU 14 5.182 7.381 -4.323 134 H GLU 15 H GLU 15 5.827 3.559 -4.628 135 HA GLU 15 HA GLU 15 4.031 1.278 -4.895 136 HB2 GLU 15 2HB GLU 15 6.285 1.884 -6.702 137 HB3 GLU 15 1HB GLU 15 6.227 0.232 -6.101 138 HG2 GLU 15 2HG GLU 15 4.842 -0.175 -7.785 139 HG3 GLU 15 1HG GLU 15 3.629 0.702 -6.854 140 H ALA 16 H ALA 16 4.507 -0.394 -3.537 141 HA ALA 16 HA ALA 16 7.078 -0.656 -2.282 142 HB1 ALA 16 1HB ALA 16 5.763 -0.479 0.045 143 HB2 ALA 16 2HB ALA 16 4.863 0.715 -0.889 144 HB3 ALA 16 3HB ALA 16 6.607 0.883 -0.690 145 H ILE 17 H ILE 17 7.358 -2.637 -1.284 146 HA ILE 17 HA ILE 17 5.060 -4.478 -1.435 147 HB ILE 17 HB ILE 17 6.898 -6.273 -1.686 148 HG12 ILE 17 2HG1 ILE 17 8.483 -4.144 -3.045 149 HG13 ILE 17 1HG1 ILE 17 8.638 -4.293 -1.297 150 HG21 ILE 17 1HG2 ILE 17 5.621 -6.196 -3.546 151 HG22 ILE 17 2HG2 ILE 17 7.074 -5.478 -4.242 152 HG23 ILE 17 3HG2 ILE 17 5.753 -4.445 -3.698 153 HD11 ILE 17 3HD1 ILE 17 9.548 -6.096 -3.446 154 HD12 ILE 17 1HD1 ILE 17 8.961 -6.852 -1.965 155 HD13 ILE 17 2HD1 ILE 17 10.294 -5.699 -1.898 156 H LYS 18 H LYS 18 4.437 -5.262 0.455 157 HA LYS 18 HA LYS 18 6.425 -5.836 2.514 158 HB2 LYS 18 2HB LYS 18 5.030 -3.518 2.666 159 HB3 LYS 18 1HB LYS 18 3.943 -4.599 3.528 160 HG2 LYS 18 2HG LYS 18 5.363 -3.588 5.132 161 HG3 LYS 18 1HG LYS 18 5.882 -5.265 4.959 162 HD2 LYS 18 2HD LYS 18 7.934 -4.593 4.433 163 HD3 LYS 18 1HD LYS 18 7.298 -3.686 3.059 164 HE2 LYS 18 2HE LYS 18 6.992 -2.466 5.741 165 HE3 LYS 18 1HE LYS 18 8.623 -2.533 5.074 166 HZ1 LYS 18 3HZ LYS 18 6.589 -1.599 3.240 167 HZ2 LYS 18 1HZ LYS 18 8.143 -0.996 3.535 168 HZ3 LYS 18 2HZ LYS 18 6.866 -0.583 4.563 169 H GLU 19 H GLU 19 6.162 -7.907 2.958 170 HA GLU 19 HA GLU 19 3.460 -9.048 2.924 171 HB2 GLU 19 2HB GLU 19 4.641 -11.248 2.717 172 HB3 GLU 19 1HB GLU 19 4.889 -10.166 1.353 173 HG2 GLU 19 2HG GLU 19 6.921 -9.830 3.389 174 HG3 GLU 19 1HG GLU 19 6.840 -11.487 2.792 175 H LEU 20 H LEU 20 2.667 -8.938 4.909 176 HA LEU 20 HA LEU 20 4.387 -9.490 7.208 177 HB2 LEU 20 2HB LEU 20 1.690 -8.224 6.879 178 HB3 LEU 20 1HB LEU 20 2.209 -8.809 8.448 179 HG LEU 20 HG LEU 20 2.591 -6.381 8.120 180 HD11 LEU 20 1HD1 LEU 20 3.990 -7.045 9.765 181 HD12 LEU 20 2HD1 LEU 20 5.217 -6.662 8.557 182 HD13 LEU 20 3HD1 LEU 20 4.701 -8.333 8.791 183 HD21 LEU 20 3HD2 LEU 20 4.885 -6.965 6.327 184 HD22 LEU 20 1HD2 LEU 20 3.910 -5.503 6.481 185 HD23 LEU 20 2HD2 LEU 20 3.271 -6.902 5.617 186 H VAL 21 H VAL 21 2.888 -10.557 9.070 187 HA VAL 21 HA VAL 21 2.565 -13.262 8.242 188 HB VAL 21 HB VAL 21 1.678 -12.033 10.853 189 HG11 VAL 21 1HG1 VAL 21 2.143 -14.837 9.909 190 HG12 VAL 21 2HG1 VAL 21 0.759 -14.166 10.773 191 HG13 VAL 21 3HG1 VAL 21 2.286 -14.422 11.617 192 HG21 VAL 21 3HG2 VAL 21 4.224 -11.935 9.900 193 HG22 VAL 21 1HG2 VAL 21 4.235 -13.470 10.768 194 HG23 VAL 21 2HG2 VAL 21 3.794 -11.983 11.609 195 H ASP 22 H ASP 22 0.362 -10.594 8.827 196 HA ASP 22 HA ASP 22 -1.821 -12.263 7.811 197 HB2 ASP 22 2HB ASP 22 -2.207 -10.260 10.039 198 HB3 ASP 22 1HB ASP 22 -3.352 -11.467 9.459 199 H ALA 23 H ALA 23 -3.664 -9.957 8.259 200 HA ALA 23 HA ALA 23 -2.687 -8.213 6.096 201 HB1 ALA 23 1HB ALA 23 -5.416 -9.375 6.554 202 HB2 ALA 23 2HB ALA 23 -4.390 -9.494 5.124 203 HB3 ALA 23 3HB ALA 23 -5.160 -7.960 5.531 204 H GLY 24 H GLY 24 -3.398 -8.255 9.311 205 HA2 GLY 24 2HA GLY 24 -4.741 -5.674 9.417 206 HA3 GLY 24 1HA GLY 24 -4.324 -6.690 10.790 207 H THR 25 H THR 25 -1.834 -6.982 11.004 208 HA THR 25 HA THR 25 -0.716 -4.556 11.730 209 HB THR 25 HB THR 25 1.063 -6.801 10.871 210 HG1 THR 25 1HG THR 25 -0.611 -6.856 13.157 211 HG21 THR 25 3HG2 THR 25 1.203 -5.654 13.573 212 HG22 THR 25 1HG2 THR 25 1.624 -4.572 12.247 213 HG23 THR 25 2HG2 THR 25 2.490 -6.095 12.449 214 H ALA 26 H ALA 26 -0.656 -6.225 8.667 215 HA ALA 26 HA ALA 26 1.324 -4.492 7.500 216 HB1 ALA 26 1HB ALA 26 -0.199 -5.867 5.515 217 HB2 ALA 26 2HB ALA 26 0.145 -6.976 6.842 218 HB3 ALA 26 3HB ALA 26 1.467 -6.145 6.023 219 H GLU 27 H GLU 27 -2.181 -4.718 7.636 220 HA GLU 27 HA GLU 27 -2.672 -2.780 5.594 221 HB2 GLU 27 2HB GLU 27 -4.428 -4.310 6.115 222 HB3 GLU 27 1HB GLU 27 -4.386 -3.885 7.820 223 HG2 GLU 27 2HG GLU 27 -4.914 -1.500 6.446 224 HG3 GLU 27 1HG GLU 27 -5.912 -2.735 5.683 225 H LYS 28 H LYS 28 -2.106 -2.641 9.035 226 HA LYS 28 HA LYS 28 -2.896 0.105 9.315 227 HB2 LYS 28 2HB LYS 28 -1.618 -1.937 11.085 228 HB3 LYS 28 1HB LYS 28 -1.533 -0.242 11.535 229 HG2 LYS 28 2HG LYS 28 -4.170 -0.495 10.951 230 HG3 LYS 28 1HG LYS 28 -3.798 -2.099 11.585 231 HD2 LYS 28 2HD LYS 28 -2.707 0.168 13.115 232 HD3 LYS 28 1HD LYS 28 -4.466 0.016 13.124 233 HE2 LYS 28 2HE LYS 28 -3.710 -2.556 13.552 234 HE3 LYS 28 1HE LYS 28 -2.410 -1.682 14.362 235 HZ1 LYS 28 3HZ LYS 28 -4.705 -2.280 15.537 236 HZ2 LYS 28 1HZ LYS 28 -5.116 -0.764 14.902 237 HZ3 LYS 28 2HZ LYS 28 -3.793 -0.916 15.944 238 H TYR 29 H TYR 29 0.234 -1.601 9.345 239 HA TYR 29 HA TYR 29 1.896 0.604 9.615 240 HB2 TYR 29 2HB TYR 29 2.252 -2.111 9.235 241 HB3 TYR 29 1HB TYR 29 2.962 -1.412 7.777 242 HD1 TYR 29 2HD TYR 29 4.272 0.975 8.596 243 HD2 TYR 29 1HD TYR 29 3.898 -2.682 10.737 244 HE1 TYR 29 2HE TYR 29 6.320 1.506 9.849 245 HE2 TYR 29 1HE TYR 29 5.944 -2.161 11.997 246 HH TYR 29 HH TYR 29 8.062 0.356 11.104 247 H PHE 30 H PHE 30 0.572 -0.844 6.664 248 HA PHE 30 HA PHE 30 1.889 0.891 4.859 249 HB2 PHE 30 2HB PHE 30 -0.214 -1.154 4.735 250 HB3 PHE 30 1HB PHE 30 -0.415 0.133 3.550 251 HD1 PHE 30 2HD PHE 30 3.027 -0.346 4.339 252 HD2 PHE 30 1HD PHE 30 -0.178 -1.922 2.022 253 HE1 PHE 30 2HE PHE 30 4.644 -1.450 2.857 254 HE2 PHE 30 1HE PHE 30 1.438 -3.034 0.541 255 HZ PHE 30 HZ PHE 30 3.851 -2.797 0.955 256 H LYS 31 H LYS 31 -1.211 1.046 6.520 257 HA LYS 31 HA LYS 31 -2.195 3.317 5.141 258 HB2 LYS 31 2HB LYS 31 -3.419 1.606 6.696 259 HB3 LYS 31 1HB LYS 31 -2.946 2.711 7.978 260 HG2 LYS 31 2HG LYS 31 -4.518 3.518 5.543 261 HG3 LYS 31 1HG LYS 31 -5.232 3.093 7.101 262 HD2 LYS 31 2HD LYS 31 -3.343 4.946 7.809 263 HD3 LYS 31 1HD LYS 31 -3.897 5.554 6.249 264 HE2 LYS 31 2HE LYS 31 -6.217 5.448 7.048 265 HE3 LYS 31 1HE LYS 31 -5.642 4.873 8.613 266 HZ1 LYS 31 3HZ LYS 31 -4.204 7.105 8.312 267 HZ2 LYS 31 1HZ LYS 31 -5.690 7.042 9.119 268 HZ3 LYS 31 2HZ LYS 31 -5.623 7.548 7.507 269 H LEU 32 H LEU 32 -0.178 2.884 7.976 270 HA LEU 32 HA LEU 32 -0.259 5.545 8.914 271 HB2 LEU 32 2HB LEU 32 0.514 3.758 10.328 272 HB3 LEU 32 1HB LEU 32 1.819 3.380 9.225 273 HG LEU 32 HG LEU 32 2.138 6.096 9.947 274 HD11 LEU 32 1HD1 LEU 32 1.521 4.304 12.279 275 HD12 LEU 32 2HD1 LEU 32 0.772 5.846 11.864 276 HD13 LEU 32 3HD1 LEU 32 2.447 5.799 12.416 277 HD21 LEU 32 3HD2 LEU 32 4.111 5.064 9.541 278 HD22 LEU 32 1HD2 LEU 32 3.582 3.534 10.243 279 HD23 LEU 32 2HD2 LEU 32 4.090 4.858 11.290 280 H ILE 33 H ILE 33 2.378 3.880 7.178 281 HA ILE 33 HA ILE 33 3.883 6.165 6.626 282 HB ILE 33 HB ILE 33 4.771 3.888 6.398 283 HG12 ILE 33 2HG1 ILE 33 6.054 4.246 4.325 284 HG13 ILE 33 1HG1 ILE 33 4.905 5.485 3.830 285 HG21 ILE 33 1HG2 ILE 33 3.184 3.705 3.844 286 HG22 ILE 33 2HG2 ILE 33 2.723 2.925 5.357 287 HG23 ILE 33 3HG2 ILE 33 4.223 2.468 4.552 288 HD11 ILE 33 3HD1 ILE 33 7.224 5.992 5.089 289 HD12 ILE 33 1HD1 ILE 33 6.132 5.882 6.470 290 HD13 ILE 33 2HD1 ILE 33 5.806 7.037 5.178 291 H ALA 34 H ALA 34 1.407 4.546 4.656 292 HA ALA 34 HA ALA 34 1.623 6.118 2.364 293 HB1 ALA 34 1HB ALA 34 0.336 4.060 2.415 294 HB2 ALA 34 2HB ALA 34 -0.668 5.398 1.856 295 HB3 ALA 34 3HB ALA 34 -0.837 4.798 3.506 296 H ASN 35 H ASN 35 -0.605 6.521 5.121 297 HA ASN 35 HA ASN 35 -1.793 8.891 4.224 298 HB2 ASN 35 2HB ASN 35 -2.402 7.281 6.211 299 HB3 ASN 35 1HB ASN 35 -1.412 8.394 7.150 300 HD21 ASN 35 1HD2 ASN 35 -2.034 10.620 7.210 301 HD22 ASN 35 2HD2 ASN 35 -3.691 11.062 6.994 302 H ALA 36 H ALA 36 1.249 8.305 5.797 303 HA ALA 36 HA ALA 36 1.665 11.043 6.583 304 HB1 ALA 36 1HB ALA 36 2.704 8.743 7.477 305 HB2 ALA 36 2HB ALA 36 3.506 10.302 7.668 306 HB3 ALA 36 3HB ALA 36 3.981 9.221 6.358 307 H LYS 37 H LYS 37 2.648 8.965 3.909 308 HA LYS 37 HA LYS 37 4.514 10.753 2.763 309 HB2 LYS 37 2HB LYS 37 3.266 8.219 2.059 310 HB3 LYS 37 1HB LYS 37 3.487 9.255 0.655 311 HG2 LYS 37 2HG LYS 37 5.801 9.034 2.466 312 HG3 LYS 37 1HG LYS 37 5.359 7.572 1.581 313 HD2 LYS 37 2HD LYS 37 5.912 8.462 -0.436 314 HD3 LYS 37 1HD LYS 37 5.448 10.097 0.038 315 HE2 LYS 37 2HE LYS 37 7.792 8.906 1.402 316 HE3 LYS 37 1HE LYS 37 7.990 9.345 -0.294 317 HZ1 LYS 37 3HZ LYS 37 8.612 11.223 0.945 318 HZ2 LYS 37 1HZ LYS 37 7.270 11.112 1.969 319 HZ3 LYS 37 2HZ LYS 37 7.068 11.580 0.356 320 H THR 38 H THR 38 1.513 9.814 1.121 321 HA THR 38 HA THR 38 0.700 12.578 0.856 322 HB THR 38 HB THR 38 2.200 12.442 -1.004 323 HG1 THR 38 1HG THR 38 -0.404 11.989 -2.019 324 HG21 THR 38 3HG2 THR 38 0.783 9.910 -1.770 325 HG22 THR 38 1HG2 THR 38 2.471 10.089 -1.289 326 HG23 THR 38 2HG2 THR 38 1.907 10.788 -2.808 327 H VAL 39 H VAL 39 -1.418 12.626 1.187 328 HA VAL 39 HA VAL 39 -3.183 10.771 -0.127 329 HB VAL 39 HB VAL 39 -4.303 9.999 1.920 330 HG11 VAL 39 1HG1 VAL 39 -2.706 8.323 2.541 331 HG12 VAL 39 2HG1 VAL 39 -1.367 9.321 1.975 332 HG13 VAL 39 3HG1 VAL 39 -2.523 8.656 0.819 333 HG21 VAL 39 3HG2 VAL 39 -3.708 11.789 3.432 334 HG22 VAL 39 1HG2 VAL 39 -2.008 11.341 3.346 335 HG23 VAL 39 2HG2 VAL 39 -3.176 10.255 4.099 336 H GLU 40 H GLU 40 -4.935 11.846 -0.721 337 HA GLU 40 HA GLU 40 -6.237 13.746 0.983 338 HB2 GLU 40 2HB GLU 40 -4.394 14.649 -1.127 339 HB3 GLU 40 1HB GLU 40 -5.986 15.414 -1.166 340 HG2 GLU 40 2HG GLU 40 -5.416 16.751 0.494 341 HG3 GLU 40 1HG GLU 40 -5.055 15.367 1.528 342 H GLY 41 H GLY 41 -5.903 12.445 -2.297 343 HA2 GLY 41 2HA GLY 41 -8.527 13.097 -3.139 344 HA3 GLY 41 1HA GLY 41 -7.471 11.906 -3.886 345 H VAL 42 H VAL 42 -8.641 10.119 -4.111 346 HA VAL 42 HA VAL 42 -10.389 9.269 -1.911 347 HB VAL 42 HB VAL 42 -11.456 9.470 -4.115 348 HG11 VAL 42 1HG1 VAL 42 -10.868 7.783 -5.867 349 HG12 VAL 42 2HG1 VAL 42 -9.419 7.417 -4.931 350 HG13 VAL 42 3HG1 VAL 42 -9.649 9.026 -5.601 351 HG21 VAL 42 3HG2 VAL 42 -12.377 7.876 -2.569 352 HG22 VAL 42 1HG2 VAL 42 -11.212 6.656 -3.084 353 HG23 VAL 42 2HG2 VAL 42 -12.457 7.214 -4.202 354 H TRP 43 H TRP 43 -10.266 7.227 -1.028 355 HA TRP 43 HA TRP 43 -7.682 5.902 -1.375 356 HB2 TRP 43 2HB TRP 43 -9.708 6.035 0.811 357 HB3 TRP 43 1HB TRP 43 -8.693 4.594 0.706 358 HD1 TRP 43 HD TRP 43 -8.056 8.439 0.650 359 HE1 TRP 43 1HE TRP 43 -5.976 8.903 2.095 360 HE3 TRP 43 3HE TRP 43 -6.911 3.640 1.996 361 HZ2 TRP 43 2HZ TRP 43 -4.100 7.430 3.605 362 HZ3 TRP 43 3HZ TRP 43 -4.956 3.254 3.441 363 HH2 TRP 43 HH TRP 43 -3.581 5.111 4.227 364 H THR 44 H THR 44 -7.474 3.983 -2.338 365 HA THR 44 HA THR 44 -9.910 2.406 -2.845 366 HB THR 44 HB THR 44 -8.383 1.639 -4.903 367 HG1 THR 44 1HG THR 44 -7.279 3.445 -5.718 368 HG21 THR 44 3HG2 THR 44 -10.536 2.436 -5.369 369 HG22 THR 44 1HG2 THR 44 -9.442 3.477 -6.278 370 HG23 THR 44 2HG2 THR 44 -10.158 4.051 -4.772 371 H TYR 45 H TYR 45 -9.676 0.133 -2.872 372 HA TYR 45 HA TYR 45 -7.114 -0.969 -2.016 373 HB2 TYR 45 2HB TYR 45 -8.267 -0.442 0.079 374 HB3 TYR 45 1HB TYR 45 -9.680 -1.355 -0.456 375 HD1 TYR 45 2HD TYR 45 -9.400 -3.856 -0.854 376 HD2 TYR 45 1HD TYR 45 -6.510 -1.510 1.204 377 HE1 TYR 45 2HE TYR 45 -8.461 -5.898 0.144 378 HE2 TYR 45 1HE TYR 45 -5.561 -3.543 2.206 379 HH TYR 45 HH TYR 45 -6.378 -6.676 1.130 380 H LYS 46 H LYS 46 -6.698 -2.827 -3.013 381 HA LYS 46 HA LYS 46 -8.847 -4.101 -4.530 382 HB2 LYS 46 2HB LYS 46 -6.336 -3.429 -5.289 383 HB3 LYS 46 1HB LYS 46 -6.074 -5.101 -4.792 384 HG2 LYS 46 2HG LYS 46 -6.535 -5.029 -7.146 385 HG3 LYS 46 1HG LYS 46 -7.890 -5.796 -6.315 386 HD2 LYS 46 2HD LYS 46 -8.668 -3.194 -6.304 387 HD3 LYS 46 1HD LYS 46 -7.775 -3.277 -7.824 388 HE2 LYS 46 2HE LYS 46 -9.153 -5.415 -8.251 389 HE3 LYS 46 1HE LYS 46 -10.204 -4.804 -6.976 390 HZ1 LYS 46 3HZ LYS 46 -11.053 -4.066 -9.054 391 HZ2 LYS 46 1HZ LYS 46 -9.550 -3.477 -9.546 392 HZ3 LYS 46 2HZ LYS 46 -10.387 -2.718 -8.288 393 H ASP 47 H ASP 47 -9.807 -5.847 -3.762 394 HA ASP 47 HA ASP 47 -8.556 -7.347 -1.593 395 HB2 ASP 47 2HB ASP 47 -10.786 -8.354 -1.285 396 HB3 ASP 47 1HB ASP 47 -10.833 -6.594 -1.202 397 H GLU 48 H GLU 48 -7.776 -7.589 -4.468 398 HA GLU 48 HA GLU 48 -8.555 -10.349 -5.037 399 HB2 GLU 48 2HB GLU 48 -8.748 -8.741 -6.875 400 HB3 GLU 48 1HB GLU 48 -7.046 -8.350 -6.723 401 HG2 GLU 48 2HG GLU 48 -6.455 -10.626 -7.358 402 HG3 GLU 48 1HG GLU 48 -8.155 -11.036 -7.488 403 H ILE 49 H ILE 49 -5.784 -8.362 -4.255 404 HA ILE 49 HA ILE 49 -4.283 -10.774 -3.596 405 HB ILE 49 HB ILE 49 -2.209 -9.693 -4.637 406 HG12 ILE 49 2HG1 ILE 49 -3.449 -7.515 -5.091 407 HG13 ILE 49 1HG1 ILE 49 -2.480 -8.149 -6.416 408 HG21 ILE 49 1HG2 ILE 49 -2.569 -10.808 -6.741 409 HG22 ILE 49 2HG2 ILE 49 -4.316 -10.758 -6.508 410 HG23 ILE 49 3HG2 ILE 49 -3.313 -11.747 -5.446 411 HD11 ILE 49 3HD1 ILE 49 -5.124 -9.183 -6.630 412 HD12 ILE 49 1HD1 ILE 49 -4.249 -8.127 -7.738 413 HD13 ILE 49 2HD1 ILE 49 -5.200 -7.434 -6.424 414 H LYS 50 H LYS 50 -5.585 -8.446 -2.199 415 HA LYS 50 HA LYS 50 -5.194 -7.070 -0.430 416 HB2 LYS 50 2HB LYS 50 -2.623 -8.588 -0.027 417 HB3 LYS 50 1HB LYS 50 -3.623 -7.806 1.190 418 HG2 LYS 50 2HG LYS 50 -4.675 -10.089 -0.434 419 HG3 LYS 50 1HG LYS 50 -3.685 -10.363 1.001 420 HD2 LYS 50 2HD LYS 50 -5.493 -10.107 2.270 421 HD3 LYS 50 1HD LYS 50 -5.644 -8.446 1.695 422 HE2 LYS 50 2HE LYS 50 -6.621 -10.508 -0.159 423 HE3 LYS 50 1HE LYS 50 -7.523 -10.371 1.350 424 HZ1 LYS 50 3HZ LYS 50 -7.856 -8.030 0.915 425 HZ2 LYS 50 1HZ LYS 50 -8.424 -8.943 -0.392 426 HZ3 LYS 50 2HZ LYS 50 -6.947 -8.126 -0.509 427 H THR 51 H THR 51 -4.879 -5.213 -1.748 428 HA THR 51 HA THR 51 -2.176 -4.149 -1.538 429 HB THR 51 HB THR 51 -2.302 -3.302 -3.907 430 HG1 THR 51 1HG THR 51 -4.240 -3.563 -4.704 431 HG21 THR 51 3HG2 THR 51 -2.386 -6.284 -3.970 432 HG22 THR 51 1HG2 THR 51 -1.078 -5.439 -3.147 433 HG23 THR 51 2HG2 THR 51 -1.354 -5.172 -4.868 434 H PHE 52 H PHE 52 -2.354 -2.268 -0.545 435 HA PHE 52 HA PHE 52 -4.841 -0.762 -0.660 436 HB2 PHE 52 2HB PHE 52 -2.820 -1.134 1.277 437 HB3 PHE 52 1HB PHE 52 -2.746 0.563 0.817 438 HD1 PHE 52 1HD PHE 52 -5.547 1.194 0.296 439 HD2 PHE 52 2HD PHE 52 -3.804 -1.188 3.366 440 HE1 PHE 52 1HE PHE 52 -7.472 1.669 1.753 441 HE2 PHE 52 2HE PHE 52 -5.726 -0.718 4.825 442 HZ PHE 52 HZ PHE 52 -7.563 0.712 4.021 443 H THR 53 H THR 53 -5.098 1.185 -1.697 444 HA THR 53 HA THR 53 -2.738 2.469 -2.850 445 HB THR 53 HB THR 53 -4.016 2.691 -5.042 446 HG1 THR 53 1HG THR 53 -6.021 1.904 -4.060 447 HG21 THR 53 3HG2 THR 53 -2.113 1.077 -4.632 448 HG22 THR 53 1HG2 THR 53 -3.220 0.682 -5.947 449 HG23 THR 53 2HG2 THR 53 -3.349 -0.160 -4.403 450 H VAL 54 H VAL 54 -2.858 4.640 -2.960 451 HA VAL 54 HA VAL 54 -5.438 5.887 -2.265 452 HB VAL 54 HB VAL 54 -2.711 6.959 -1.537 453 HG11 VAL 54 1HG1 VAL 54 -3.741 8.781 -0.757 454 HG12 VAL 54 2HG1 VAL 54 -5.027 7.838 -0.005 455 HG13 VAL 54 3HG1 VAL 54 -5.128 8.261 -1.713 456 HG21 VAL 54 3HG2 VAL 54 -2.977 4.962 -0.281 457 HG22 VAL 54 1HG2 VAL 54 -4.663 5.333 0.077 458 HG23 VAL 54 2HG2 VAL 54 -3.375 6.297 0.800 459 H THR 55 H THR 55 -6.139 6.557 -4.216 460 HA THR 55 HA THR 55 -4.321 7.942 -6.030 461 HB THR 55 HB THR 55 -7.223 7.559 -6.631 462 HG1 THR 55 1HG THR 55 -6.983 5.519 -6.165 463 HG21 THR 55 3HG2 THR 55 -4.938 6.917 -8.440 464 HG22 THR 55 1HG2 THR 55 -5.454 8.586 -8.204 465 HG23 THR 55 2HG2 THR 55 -6.588 7.396 -8.840 466 H GLU 56 H GLU 56 -4.921 9.996 -6.969 467 HA GLU 56 HA GLU 56 -5.799 11.857 -4.982 468 HB2 GLU 56 2HB GLU 56 -4.096 12.079 -7.035 469 HB3 GLU 56 1HB GLU 56 -5.538 12.708 -7.819 470 HG2 GLU 56 2HG GLU 56 -5.078 13.835 -5.173 471 HG3 GLU 56 1HG GLU 56 -3.769 14.146 -6.311 Start of MODEL 2 1 H1 THR 1 1HT THR 1 0.049 -14.005 4.644 2 H2 THR 1 2HT THR 1 0.976 -12.576 4.841 3 H3 THR 1 3HT THR 1 1.603 -13.889 3.931 4 HA THR 1 HA THR 1 0.135 -13.569 2.214 5 HB THR 1 HB THR 1 -1.839 -13.259 3.655 6 HG1 THR 1 1HG THR 1 -1.567 -11.094 1.848 7 HG21 THR 1 3HG2 THR 1 -0.923 -10.411 3.967 8 HG22 THR 1 1HG2 THR 1 -0.910 -11.633 5.239 9 HG23 THR 1 2HG2 THR 1 -2.441 -11.103 4.542 10 H THR 2 H THR 2 0.582 -12.134 0.576 11 HA THR 2 HA THR 2 2.610 -10.161 1.150 12 HB THR 2 HB THR 2 1.352 -10.706 -1.535 13 HG1 THR 2 1HG THR 2 3.319 -12.183 -0.145 14 HG21 THR 2 3HG2 THR 2 3.132 -9.716 -2.486 15 HG22 THR 2 1HG2 THR 2 4.243 -10.243 -1.221 16 HG23 THR 2 2HG2 THR 2 3.187 -8.857 -0.947 17 H TYR 3 H TYR 3 2.383 -7.995 1.182 18 HA TYR 3 HA TYR 3 -0.225 -6.880 0.384 19 HB2 TYR 3 2HB TYR 3 1.067 -6.830 2.984 20 HB3 TYR 3 1HB TYR 3 0.761 -5.201 2.390 21 HD1 TYR 3 1HD TYR 3 -1.537 -4.444 1.964 22 HD2 TYR 3 2HD TYR 3 -0.750 -8.292 3.609 23 HE1 TYR 3 1HE TYR 3 -3.888 -4.624 2.654 24 HE2 TYR 3 2HE TYR 3 -3.101 -8.480 4.299 25 HH TYR 3 HH TYR 3 -5.128 -6.042 4.614 26 H LYS 4 H LYS 4 -0.034 -5.430 -1.180 27 HA LYS 4 HA LYS 4 2.538 -4.037 -1.502 28 HB2 LYS 4 2HB LYS 4 1.346 -5.550 -3.344 29 HB3 LYS 4 1HB LYS 4 0.505 -4.042 -3.676 30 HG2 LYS 4 2HG LYS 4 2.359 -3.023 -4.495 31 HG3 LYS 4 1HG LYS 4 3.454 -3.928 -3.447 32 HD2 LYS 4 2HD LYS 4 2.012 -5.046 -5.850 33 HD3 LYS 4 1HD LYS 4 3.704 -4.547 -5.816 34 HE2 LYS 4 2HE LYS 4 4.128 -6.682 -5.291 35 HE3 LYS 4 1HE LYS 4 3.566 -6.244 -3.679 36 HZ1 LYS 4 3HZ LYS 4 2.155 -7.938 -4.017 37 HZ2 LYS 4 1HZ LYS 4 2.290 -7.878 -5.703 38 HZ3 LYS 4 2HZ LYS 4 1.259 -6.806 -4.897 39 H LEU 5 H LEU 5 2.419 -1.806 -2.363 40 HA LEU 5 HA LEU 5 -0.043 -0.391 -1.645 41 HB2 LEU 5 2HB LEU 5 2.291 -0.392 -0.061 42 HB3 LEU 5 1HB LEU 5 2.231 1.173 -0.855 43 HG LEU 5 HG LEU 5 0.004 -0.007 0.811 44 HD11 LEU 5 1HD1 LEU 5 0.641 1.471 2.544 45 HD12 LEU 5 2HD1 LEU 5 1.808 2.295 1.511 46 HD13 LEU 5 3HD1 LEU 5 2.113 0.640 2.037 47 HD21 LEU 5 3HD2 LEU 5 -0.234 1.841 -1.166 48 HD22 LEU 5 1HD2 LEU 5 0.076 2.870 0.233 49 HD23 LEU 5 2HD2 LEU 5 -1.282 1.745 0.249 50 H ILE 6 H ILE 6 -0.572 1.193 -3.023 51 HA ILE 6 HA ILE 6 1.503 2.371 -4.692 52 HB ILE 6 HB ILE 6 -1.030 1.727 -6.104 53 HG12 ILE 6 2HG1 ILE 6 -0.345 -0.408 -4.982 54 HG13 ILE 6 1HG1 ILE 6 -0.318 -0.485 -6.740 55 HG21 ILE 6 1HG2 ILE 6 1.810 1.632 -7.081 56 HG22 ILE 6 2HG2 ILE 6 0.854 3.112 -7.030 57 HG23 ILE 6 3HG2 ILE 6 0.332 1.760 -8.035 58 HD11 ILE 6 3HD1 ILE 6 1.825 -1.036 -6.746 59 HD12 ILE 6 1HD1 ILE 6 1.717 -1.196 -4.992 60 HD13 ILE 6 2HD1 ILE 6 2.243 0.328 -5.708 61 H LEU 7 H LEU 7 1.372 4.504 -4.426 62 HA LEU 7 HA LEU 7 -1.286 5.675 -3.946 63 HB2 LEU 7 2HB LEU 7 1.428 6.699 -3.118 64 HB3 LEU 7 1HB LEU 7 -0.095 7.531 -2.831 65 HG LEU 7 HG LEU 7 -0.791 5.433 -1.526 66 HD11 LEU 7 1HD1 LEU 7 1.337 4.374 -0.493 67 HD12 LEU 7 2HD1 LEU 7 2.117 4.920 -1.979 68 HD13 LEU 7 3HD1 LEU 7 0.755 3.801 -2.057 69 HD21 LEU 7 3HD2 LEU 7 0.913 6.235 0.379 70 HD22 LEU 7 1HD2 LEU 7 -0.507 7.165 -0.100 71 HD23 LEU 7 2HD2 LEU 7 1.080 7.581 -0.748 72 H ASN 8 H ASN 8 -2.118 6.836 -5.538 73 HA ASN 8 HA ASN 8 -0.287 7.969 -7.541 74 HB2 ASN 8 2HB ASN 8 -2.051 6.370 -8.313 75 HB3 ASN 8 1HB ASN 8 -3.269 7.528 -7.781 76 HD21 ASN 8 1HD2 ASN 8 -4.019 7.592 -9.944 77 HD22 ASN 8 2HD2 ASN 8 -3.197 8.532 -11.136 78 H LEU 9 H LEU 9 0.082 10.074 -7.505 79 HA LEU 9 HA LEU 9 -2.052 11.859 -6.573 80 HB2 LEU 9 2HB LEU 9 0.137 13.260 -5.804 81 HB3 LEU 9 1HB LEU 9 -0.832 12.252 -4.735 82 HG LEU 9 HG LEU 9 1.598 11.923 -4.458 83 HD11 LEU 9 1HD1 LEU 9 -0.361 10.058 -4.419 84 HD12 LEU 9 2HD1 LEU 9 1.306 9.770 -3.917 85 HD13 LEU 9 3HD1 LEU 9 0.783 9.324 -5.542 86 HD21 LEU 9 3HD2 LEU 9 2.437 10.336 -6.472 87 HD22 LEU 9 1HD2 LEU 9 2.765 12.060 -6.370 88 HD23 LEU 9 2HD2 LEU 9 1.427 11.473 -7.357 89 H LYS 10 H LYS 10 -1.047 14.277 -7.004 90 HA LYS 10 HA LYS 10 -1.376 14.795 -9.651 91 HB2 LYS 10 2HB LYS 10 -0.894 16.319 -7.466 92 HB3 LYS 10 1HB LYS 10 0.614 16.544 -8.343 93 HG2 LYS 10 2HG LYS 10 -0.830 18.300 -8.978 94 HG3 LYS 10 1HG LYS 10 -0.742 17.188 -10.344 95 HD2 LYS 10 2HD LYS 10 -2.915 16.579 -10.156 96 HD3 LYS 10 1HD LYS 10 -2.902 16.688 -8.394 97 HE2 LYS 10 2HE LYS 10 -3.480 18.886 -8.398 98 HE3 LYS 10 1HE LYS 10 -2.641 19.223 -9.913 99 HZ1 LYS 10 3HZ LYS 10 -4.444 18.689 -11.136 100 HZ2 LYS 10 1HZ LYS 10 -5.272 19.123 -9.726 101 HZ3 LYS 10 2HZ LYS 10 -4.978 17.492 -10.070 102 H GLN 11 H GLN 11 1.700 14.061 -8.054 103 HA GLN 11 HA GLN 11 3.297 14.530 -10.360 104 HB2 GLN 11 2HB GLN 11 3.771 14.017 -7.664 105 HB3 GLN 11 1HB GLN 11 4.440 12.611 -8.494 106 HG2 GLN 11 2HG GLN 11 6.077 14.418 -8.120 107 HG3 GLN 11 1HG GLN 11 5.870 13.991 -9.818 108 HE21 GLN 11 1HE2 GLN 11 5.079 16.352 -7.352 109 HE22 GLN 11 2HE2 GLN 11 4.765 17.662 -8.437 110 H ALA 12 H ALA 12 2.939 11.389 -8.713 111 HA ALA 12 HA ALA 12 2.077 10.060 -11.109 112 HB1 ALA 12 1HB ALA 12 4.702 9.076 -10.113 113 HB2 ALA 12 2HB ALA 12 4.668 10.456 -11.204 114 HB3 ALA 12 3HB ALA 12 3.972 8.921 -11.710 115 H LYS 13 H LYS 13 3.055 7.471 -10.357 116 HA LYS 13 HA LYS 13 1.378 7.035 -7.989 117 HB2 LYS 13 2HB LYS 13 1.204 4.706 -8.765 118 HB3 LYS 13 1HB LYS 13 0.655 5.845 -9.985 119 HG2 LYS 13 2HG LYS 13 3.489 5.098 -10.165 120 HG3 LYS 13 1HG LYS 13 2.341 3.791 -10.460 121 HD2 LYS 13 2HD LYS 13 1.343 4.932 -12.260 122 HD3 LYS 13 1HD LYS 13 2.089 6.466 -11.806 123 HE2 LYS 13 2HE LYS 13 4.160 5.852 -12.634 124 HE3 LYS 13 1HE LYS 13 3.804 4.129 -12.529 125 HZ1 LYS 13 3HZ LYS 13 2.458 4.233 -14.432 126 HZ2 LYS 13 1HZ LYS 13 3.835 5.134 -14.824 127 HZ3 LYS 13 2HZ LYS 13 2.396 5.923 -14.417 128 H GLU 14 H GLU 14 2.112 5.954 -6.204 129 HA GLU 14 HA GLU 14 5.018 5.589 -6.055 130 HB2 GLU 14 2HB GLU 14 3.042 6.612 -4.260 131 HB3 GLU 14 1HB GLU 14 3.782 5.192 -3.519 132 HG2 GLU 14 2HG GLU 14 5.541 6.398 -2.950 133 HG3 GLU 14 1HG GLU 14 5.853 6.765 -4.646 134 H GLU 15 H GLU 15 5.805 3.712 -4.750 135 HA GLU 15 HA GLU 15 4.035 1.377 -4.951 136 HB2 GLU 15 2HB GLU 15 6.803 1.662 -6.096 137 HB3 GLU 15 1HB GLU 15 6.122 0.088 -5.712 138 HG2 GLU 15 2HG GLU 15 4.655 0.141 -7.435 139 HG3 GLU 15 1HG GLU 15 4.473 1.893 -7.372 140 H ALA 16 H ALA 16 4.617 -0.402 -3.601 141 HA ALA 16 HA ALA 16 6.754 -0.258 -1.729 142 HB1 ALA 16 1HB ALA 16 4.753 -0.254 0.151 143 HB2 ALA 16 2HB ALA 16 4.209 0.967 -0.999 144 HB3 ALA 16 3HB ALA 16 5.795 1.113 -0.243 145 H ILE 17 H ILE 17 7.271 -2.317 -1.381 146 HA ILE 17 HA ILE 17 5.144 -4.344 -1.563 147 HB ILE 17 HB ILE 17 7.095 -5.942 -1.928 148 HG12 ILE 17 2HG1 ILE 17 8.646 -3.607 -2.933 149 HG13 ILE 17 1HG1 ILE 17 8.677 -3.914 -1.199 150 HG21 ILE 17 1HG2 ILE 17 7.026 -5.633 -4.253 151 HG22 ILE 17 2HG2 ILE 17 6.806 -3.890 -4.101 152 HG23 ILE 17 3HG2 ILE 17 5.496 -4.987 -3.662 153 HD11 ILE 17 3HD1 ILE 17 9.635 -5.674 -3.424 154 HD12 ILE 17 1HD1 ILE 17 9.337 -6.294 -1.800 155 HD13 ILE 17 2HD1 ILE 17 10.540 -5.029 -2.055 156 H LYS 18 H LYS 18 4.500 -5.124 0.317 157 HA LYS 18 HA LYS 18 6.487 -5.840 2.330 158 HB2 LYS 18 2HB LYS 18 5.157 -3.517 2.649 159 HB3 LYS 18 1HB LYS 18 4.014 -4.620 3.406 160 HG2 LYS 18 2HG LYS 18 5.476 -3.728 5.080 161 HG3 LYS 18 1HG LYS 18 5.837 -5.441 4.860 162 HD2 LYS 18 2HD LYS 18 7.942 -4.995 4.281 163 HD3 LYS 18 1HD LYS 18 7.418 -3.821 3.071 164 HE2 LYS 18 2HE LYS 18 6.982 -2.477 5.417 165 HE3 LYS 18 1HE LYS 18 8.434 -3.407 5.785 166 HZ1 LYS 18 3HZ LYS 18 9.397 -2.501 3.696 167 HZ2 LYS 18 1HZ LYS 18 9.098 -1.330 4.880 168 HZ3 LYS 18 2HZ LYS 18 8.053 -1.483 3.560 169 H GLU 19 H GLU 19 6.200 -7.962 2.495 170 HA GLU 19 HA GLU 19 3.465 -9.026 2.521 171 HB2 GLU 19 2HB GLU 19 4.672 -11.237 2.054 172 HB3 GLU 19 1HB GLU 19 4.611 -10.061 0.747 173 HG2 GLU 19 2HG GLU 19 6.964 -9.851 2.483 174 HG3 GLU 19 1HG GLU 19 6.844 -11.353 1.566 175 H LEU 20 H LEU 20 2.819 -9.147 4.557 176 HA LEU 20 HA LEU 20 4.674 -10.194 6.583 177 HB2 LEU 20 2HB LEU 20 2.538 -8.179 6.619 178 HB3 LEU 20 1HB LEU 20 2.500 -9.285 7.978 179 HG LEU 20 HG LEU 20 4.784 -8.679 8.577 180 HD11 LEU 20 1HD1 LEU 20 5.708 -8.233 6.401 181 HD12 LEU 20 2HD1 LEU 20 5.891 -6.799 7.412 182 HD13 LEU 20 3HD1 LEU 20 4.628 -6.856 6.182 183 HD21 LEU 20 3HD2 LEU 20 2.835 -6.423 8.195 184 HD22 LEU 20 1HD2 LEU 20 4.356 -6.229 9.068 185 HD23 LEU 20 2HD2 LEU 20 3.144 -7.370 9.650 186 H VAL 21 H VAL 21 3.067 -11.125 8.495 187 HA VAL 21 HA VAL 21 1.739 -13.393 7.186 188 HB VAL 21 HB VAL 21 3.604 -13.924 8.724 189 HG11 VAL 21 1HG1 VAL 21 3.728 -13.263 10.885 190 HG12 VAL 21 2HG1 VAL 21 1.979 -13.297 11.111 191 HG13 VAL 21 3HG1 VAL 21 2.735 -11.933 10.287 192 HG21 VAL 21 3HG2 VAL 21 1.151 -14.944 10.073 193 HG22 VAL 21 1HG2 VAL 21 2.604 -15.807 9.569 194 HG23 VAL 21 2HG2 VAL 21 1.408 -15.318 8.369 195 H ASP 22 H ASP 22 0.602 -10.637 7.825 196 HA ASP 22 HA ASP 22 -1.960 -11.551 8.656 197 HB2 ASP 22 2HB ASP 22 -0.754 -11.357 10.850 198 HB3 ASP 22 1HB ASP 22 -0.570 -9.635 10.534 199 H ALA 23 H ALA 23 -3.475 -10.316 7.800 200 HA ALA 23 HA ALA 23 -2.742 -8.065 6.200 201 HB1 ALA 23 1HB ALA 23 -4.428 -9.524 5.363 202 HB2 ALA 23 2HB ALA 23 -5.192 -7.971 5.702 203 HB3 ALA 23 3HB ALA 23 -5.407 -9.322 6.816 204 H GLY 24 H GLY 24 -3.290 -8.276 9.460 205 HA2 GLY 24 2HA GLY 24 -4.767 -5.788 9.731 206 HA3 GLY 24 1HA GLY 24 -4.198 -6.813 11.042 207 H THR 25 H THR 25 -1.686 -6.942 11.095 208 HA THR 25 HA THR 25 -0.696 -4.443 11.807 209 HB THR 25 HB THR 25 1.017 -6.752 10.891 210 HG1 THR 25 1HG THR 25 0.086 -7.838 12.407 211 HG21 THR 25 3HG2 THR 25 1.850 -5.467 13.302 212 HG22 THR 25 1HG2 THR 25 1.688 -4.284 12.002 213 HG23 THR 25 2HG2 THR 25 2.727 -5.691 11.795 214 H ALA 26 H ALA 26 -0.564 -6.157 8.745 215 HA ALA 26 HA ALA 26 1.233 -4.311 7.497 216 HB1 ALA 26 1HB ALA 26 1.217 -5.733 5.743 217 HB2 ALA 26 2HB ALA 26 -0.534 -5.942 5.791 218 HB3 ALA 26 3HB ALA 26 0.492 -6.835 6.914 219 H GLU 27 H GLU 27 -2.256 -4.687 7.759 220 HA GLU 27 HA GLU 27 -2.931 -2.787 5.753 221 HB2 GLU 27 2HB GLU 27 -4.652 -4.274 6.374 222 HB3 GLU 27 1HB GLU 27 -4.428 -3.957 8.088 223 HG2 GLU 27 2HG GLU 27 -5.797 -2.189 8.064 224 HG3 GLU 27 1HG GLU 27 -5.184 -1.607 6.518 225 H LYS 28 H LYS 28 -2.273 -2.564 9.192 226 HA LYS 28 HA LYS 28 -3.003 0.210 9.382 227 HB2 LYS 28 2HB LYS 28 -1.436 -1.526 11.293 228 HB3 LYS 28 1HB LYS 28 -2.088 0.067 11.651 229 HG2 LYS 28 2HG LYS 28 -4.074 -1.835 10.664 230 HG3 LYS 28 1HG LYS 28 -3.325 -2.296 12.196 231 HD2 LYS 28 2HD LYS 28 -3.818 0.106 12.941 232 HD3 LYS 28 1HD LYS 28 -4.890 0.180 11.535 233 HE2 LYS 28 2HE LYS 28 -5.708 -2.139 12.610 234 HE3 LYS 28 1HE LYS 28 -5.167 -1.312 14.071 235 HZ1 LYS 28 3HZ LYS 28 -6.607 0.557 13.483 236 HZ2 LYS 28 1HZ LYS 28 -7.492 -0.874 13.669 237 HZ3 LYS 28 2HZ LYS 28 -7.153 -0.284 12.117 238 H TYR 29 H TYR 29 0.064 -1.595 9.419 239 HA TYR 29 HA TYR 29 1.818 0.535 9.674 240 HB2 TYR 29 2HB TYR 29 2.261 -2.030 9.594 241 HB3 TYR 29 1HB TYR 29 2.452 -1.775 7.857 242 HD1 TYR 29 2HD TYR 29 4.005 0.424 7.366 243 HD2 TYR 29 1HD TYR 29 4.221 -2.093 10.790 244 HE1 TYR 29 2HE TYR 29 6.337 1.115 7.719 245 HE2 TYR 29 1HE TYR 29 6.554 -1.408 11.153 246 HH TYR 29 HH TYR 29 8.478 -0.455 9.463 247 H PHE 30 H PHE 30 0.353 -0.810 6.747 248 HA PHE 30 HA PHE 30 1.719 0.905 4.940 249 HB2 PHE 30 2HB PHE 30 -0.519 -1.033 4.799 250 HB3 PHE 30 1HB PHE 30 -0.506 0.219 3.559 251 HD1 PHE 30 2HD PHE 30 2.799 -0.539 4.643 252 HD2 PHE 30 1HD PHE 30 -0.344 -1.912 2.122 253 HE1 PHE 30 2HE PHE 30 4.418 -1.842 3.337 254 HE2 PHE 30 1HE PHE 30 1.273 -3.223 0.816 255 HZ PHE 30 HZ PHE 30 3.658 -3.189 1.420 256 H LYS 31 H LYS 31 -1.365 1.087 6.634 257 HA LYS 31 HA LYS 31 -2.336 3.386 5.299 258 HB2 LYS 31 2HB LYS 31 -3.253 1.643 7.312 259 HB3 LYS 31 1HB LYS 31 -3.257 3.247 8.030 260 HG2 LYS 31 2HG LYS 31 -4.476 3.954 5.861 261 HG3 LYS 31 1HG LYS 31 -4.794 2.228 5.680 262 HD2 LYS 31 2HD LYS 31 -5.360 3.033 8.373 263 HD3 LYS 31 1HD LYS 31 -6.205 4.097 7.248 264 HE2 LYS 31 2HE LYS 31 -6.276 1.128 6.877 265 HE3 LYS 31 1HE LYS 31 -7.351 1.910 8.035 266 HZ1 LYS 31 3HZ LYS 31 -7.717 3.438 5.880 267 HZ2 LYS 31 1HZ LYS 31 -8.676 2.093 6.249 268 HZ3 LYS 31 2HZ LYS 31 -7.409 1.949 5.139 269 H LEU 32 H LEU 32 -0.083 2.898 7.891 270 HA LEU 32 HA LEU 32 -0.144 5.556 8.923 271 HB2 LEU 32 2HB LEU 32 0.986 3.139 9.684 272 HB3 LEU 32 1HB LEU 32 2.376 4.135 9.280 273 HG LEU 32 HG LEU 32 1.034 5.879 10.816 274 HD11 LEU 32 1HD1 LEU 32 -0.765 4.790 11.650 275 HD12 LEU 32 2HD1 LEU 32 0.423 4.225 12.827 276 HD13 LEU 32 3HD1 LEU 32 -0.025 3.199 11.459 277 HD21 LEU 32 3HD2 LEU 32 3.276 5.456 11.285 278 HD22 LEU 32 1HD2 LEU 32 2.999 3.731 11.528 279 HD23 LEU 32 2HD2 LEU 32 2.438 4.899 12.733 280 H ILE 33 H ILE 33 2.329 3.833 7.010 281 HA ILE 33 HA ILE 33 3.938 6.030 6.444 282 HB ILE 33 HB ILE 33 4.628 3.711 6.019 283 HG12 ILE 33 2HG1 ILE 33 5.794 4.106 3.897 284 HG13 ILE 33 1HG1 ILE 33 4.693 5.428 3.526 285 HG21 ILE 33 1HG2 ILE 33 3.839 2.460 4.135 286 HG22 ILE 33 2HG2 ILE 33 2.837 3.809 3.599 287 HG23 ILE 33 3HG2 ILE 33 2.446 2.959 5.095 288 HD11 ILE 33 3HD1 ILE 33 7.125 5.700 4.694 289 HD12 ILE 33 1HD1 ILE 33 6.057 5.689 6.097 290 HD13 ILE 33 2HD1 ILE 33 5.811 6.871 4.811 291 H ALA 34 H ALA 34 1.199 4.716 4.607 292 HA ALA 34 HA ALA 34 1.352 6.429 2.403 293 HB1 ALA 34 1HB ALA 34 -1.218 5.970 2.350 294 HB2 ALA 34 2HB ALA 34 -0.845 4.837 3.648 295 HB3 ALA 34 3HB ALA 34 -0.078 4.653 2.071 296 H ASN 35 H ASN 35 -0.256 6.816 5.526 297 HA ASN 35 HA ASN 35 -1.648 9.182 4.965 298 HB2 ASN 35 2HB ASN 35 -1.186 7.536 7.226 299 HB3 ASN 35 1HB ASN 35 -0.766 9.180 7.696 300 HD21 ASN 35 1HD2 ASN 35 -3.177 7.049 7.746 301 HD22 ASN 35 2HD2 ASN 35 -4.541 8.107 7.681 302 H ALA 36 H ALA 36 1.685 8.595 5.826 303 HA ALA 36 HA ALA 36 2.246 11.406 6.259 304 HB1 ALA 36 1HB ALA 36 3.899 8.907 6.364 305 HB2 ALA 36 2HB ALA 36 3.500 10.029 7.665 306 HB3 ALA 36 3HB ALA 36 4.644 10.505 6.410 307 H LYS 37 H LYS 37 2.555 9.025 3.726 308 HA LYS 37 HA LYS 37 4.324 10.587 2.098 309 HB2 LYS 37 2HB LYS 37 2.672 8.119 1.601 310 HB3 LYS 37 1HB LYS 37 3.579 8.900 0.313 311 HG2 LYS 37 2HG LYS 37 5.412 8.630 2.379 312 HG3 LYS 37 1HG LYS 37 4.489 7.126 2.402 313 HD2 LYS 37 2HD LYS 37 5.312 6.441 0.415 314 HD3 LYS 37 1HD LYS 37 5.297 8.069 -0.267 315 HE2 LYS 37 2HE LYS 37 7.527 7.952 -0.080 316 HE3 LYS 37 1HE LYS 37 7.245 8.277 1.630 317 HZ1 LYS 37 3HZ LYS 37 8.631 6.201 0.781 318 HZ2 LYS 37 1HZ LYS 37 7.093 5.494 0.778 319 HZ3 LYS 37 2HZ LYS 37 7.718 6.157 2.203 320 H THR 38 H THR 38 1.106 9.404 1.170 321 HA THR 38 HA THR 38 0.278 12.110 0.476 322 HB THR 38 HB THR 38 0.179 9.890 -1.567 323 HG1 THR 38 1HG THR 38 1.956 12.089 -1.479 324 HG21 THR 38 3HG2 THR 38 0.137 12.614 -2.532 325 HG22 THR 38 1HG2 THR 38 -1.233 12.251 -1.482 326 HG23 THR 38 2HG2 THR 38 -0.925 11.253 -2.908 327 H VAL 39 H VAL 39 -1.850 12.437 0.786 328 HA VAL 39 HA VAL 39 -3.771 10.302 0.639 329 HB VAL 39 HB VAL 39 -4.577 10.748 3.029 330 HG11 VAL 39 1HG1 VAL 39 -1.943 9.311 2.866 331 HG12 VAL 39 2HG1 VAL 39 -3.413 8.676 2.126 332 HG13 VAL 39 3HG1 VAL 39 -3.342 8.930 3.870 333 HG21 VAL 39 3HG2 VAL 39 -3.089 12.703 3.388 334 HG22 VAL 39 1HG2 VAL 39 -1.710 11.614 3.391 335 HG23 VAL 39 2HG2 VAL 39 -2.948 11.478 4.639 336 H GLU 40 H GLU 40 -4.572 11.807 -0.927 337 HA GLU 40 HA GLU 40 -6.454 13.676 0.237 338 HB2 GLU 40 2HB GLU 40 -4.123 14.566 -1.434 339 HB3 GLU 40 1HB GLU 40 -5.644 15.458 -1.478 340 HG2 GLU 40 2HG GLU 40 -4.890 16.590 0.267 341 HG3 GLU 40 1HG GLU 40 -5.145 15.131 1.222 342 H GLY 41 H GLY 41 -8.020 12.308 -0.648 343 HA2 GLY 41 2HA GLY 41 -9.300 12.903 -2.899 344 HA3 GLY 41 1HA GLY 41 -8.025 11.871 -3.530 345 H VAL 42 H VAL 42 -8.593 9.827 -3.785 346 HA VAL 42 HA VAL 42 -10.700 8.723 -2.045 347 HB VAL 42 HB VAL 42 -11.413 8.931 -4.387 348 HG11 VAL 42 1HG1 VAL 42 -9.151 8.713 -5.381 349 HG12 VAL 42 2HG1 VAL 42 -10.362 7.696 -6.160 350 HG13 VAL 42 3HG1 VAL 42 -9.200 6.992 -5.034 351 HG21 VAL 42 3HG2 VAL 42 -10.969 6.061 -3.572 352 HG22 VAL 42 1HG2 VAL 42 -12.197 6.654 -4.690 353 HG23 VAL 42 2HG2 VAL 42 -12.268 7.098 -2.985 354 H TRP 43 H TRP 43 -10.453 6.662 -1.224 355 HA TRP 43 HA TRP 43 -7.718 5.587 -1.380 356 HB2 TRP 43 2HB TRP 43 -9.690 5.841 0.813 357 HB3 TRP 43 1HB TRP 43 -8.762 4.339 0.782 358 HD1 TRP 43 HD TRP 43 -7.897 8.128 0.475 359 HE1 TRP 43 1HE TRP 43 -5.771 8.555 1.862 360 HE3 TRP 43 3HE TRP 43 -7.028 3.365 2.121 361 HZ2 TRP 43 2HZ TRP 43 -3.963 7.069 3.444 362 HZ3 TRP 43 3HZ TRP 43 -5.079 2.953 3.565 363 HH2 TRP 43 HH TRP 43 -3.579 4.768 4.212 364 H THR 44 H THR 44 -7.662 4.024 -2.872 365 HA THR 44 HA THR 44 -9.925 2.199 -3.147 366 HB THR 44 HB THR 44 -8.136 1.370 -5.020 367 HG1 THR 44 1HG THR 44 -7.785 4.174 -4.850 368 HG21 THR 44 3HG2 THR 44 -10.264 3.454 -5.128 369 HG22 THR 44 1HG2 THR 44 -10.235 1.836 -5.830 370 HG23 THR 44 2HG2 THR 44 -9.269 3.126 -6.548 371 H TYR 45 H TYR 45 -9.510 -0.129 -3.342 372 HA TYR 45 HA TYR 45 -7.090 -1.149 -2.119 373 HB2 TYR 45 2HB TYR 45 -8.429 -0.646 -0.147 374 HB3 TYR 45 1HB TYR 45 -9.800 -1.531 -0.823 375 HD1 TYR 45 2HD TYR 45 -6.444 -1.860 0.662 376 HD2 TYR 45 1HD TYR 45 -9.896 -3.926 -0.719 377 HE1 TYR 45 2HE TYR 45 -5.637 -3.915 1.743 378 HE2 TYR 45 1HE TYR 45 -9.100 -5.988 0.359 379 HH TYR 45 HH TYR 45 -5.920 -6.299 1.610 380 H LYS 46 H LYS 46 -6.530 -2.984 -3.088 381 HA LYS 46 HA LYS 46 -8.545 -4.370 -4.707 382 HB2 LYS 46 2HB LYS 46 -5.531 -4.615 -4.794 383 HB3 LYS 46 1HB LYS 46 -6.671 -5.337 -5.929 384 HG2 LYS 46 2HG LYS 46 -7.114 -2.508 -5.768 385 HG3 LYS 46 1HG LYS 46 -5.413 -2.836 -6.100 386 HD2 LYS 46 2HD LYS 46 -7.268 -4.488 -7.651 387 HD3 LYS 46 1HD LYS 46 -7.409 -2.759 -7.973 388 HE2 LYS 46 2HE LYS 46 -4.694 -3.139 -7.936 389 HE3 LYS 46 1HE LYS 46 -5.277 -4.634 -8.666 390 HZ1 LYS 46 3HZ LYS 46 -6.273 -2.032 -9.622 391 HZ2 LYS 46 1HZ LYS 46 -6.194 -3.509 -10.442 392 HZ3 LYS 46 2HZ LYS 46 -4.782 -2.620 -10.164 393 H ASP 47 H ASP 47 -9.467 -6.052 -3.751 394 HA ASP 47 HA ASP 47 -8.132 -7.489 -1.626 395 HB2 ASP 47 2HB ASP 47 -10.729 -6.859 -2.031 396 HB3 ASP 47 1HB ASP 47 -10.707 -8.509 -2.658 397 H GLU 48 H GLU 48 -7.799 -7.669 -4.841 398 HA GLU 48 HA GLU 48 -8.112 -10.459 -5.331 399 HB2 GLU 48 2HB GLU 48 -6.997 -8.131 -6.792 400 HB3 GLU 48 1HB GLU 48 -6.400 -9.716 -7.265 401 HG2 GLU 48 2HG GLU 48 -9.302 -9.577 -6.996 402 HG3 GLU 48 1HG GLU 48 -8.639 -8.511 -8.235 403 H ILE 49 H ILE 49 -5.514 -8.431 -4.167 404 HA ILE 49 HA ILE 49 -4.022 -10.798 -3.406 405 HB ILE 49 HB ILE 49 -1.891 -9.930 -4.336 406 HG12 ILE 49 2HG1 ILE 49 -2.707 -7.573 -4.612 407 HG13 ILE 49 1HG1 ILE 49 -1.882 -8.220 -6.026 408 HG21 ILE 49 1HG2 ILE 49 -2.198 -10.842 -6.501 409 HG22 ILE 49 2HG2 ILE 49 -3.913 -10.431 -6.506 410 HG23 ILE 49 3HG2 ILE 49 -3.312 -11.693 -5.430 411 HD11 ILE 49 3HD1 ILE 49 -4.541 -7.176 -5.778 412 HD12 ILE 49 1HD1 ILE 49 -4.576 -8.824 -6.401 413 HD13 ILE 49 2HD1 ILE 49 -3.626 -7.589 -7.228 414 H LYS 50 H LYS 50 -5.431 -8.436 -2.168 415 HA LYS 50 HA LYS 50 -5.173 -7.032 -0.396 416 HB2 LYS 50 2HB LYS 50 -2.614 -8.517 0.188 417 HB3 LYS 50 1HB LYS 50 -3.677 -7.704 1.328 418 HG2 LYS 50 2HG LYS 50 -4.711 -9.995 -0.278 419 HG3 LYS 50 1HG LYS 50 -3.700 -10.294 1.138 420 HD2 LYS 50 2HD LYS 50 -5.635 -10.212 2.275 421 HD3 LYS 50 1HD LYS 50 -5.473 -8.463 2.104 422 HE2 LYS 50 2HE LYS 50 -7.241 -8.338 0.748 423 HE3 LYS 50 1HE LYS 50 -6.680 -9.690 -0.235 424 HZ1 LYS 50 3HZ LYS 50 -8.007 -10.040 2.394 425 HZ2 LYS 50 1HZ LYS 50 -7.688 -11.227 1.230 426 HZ3 LYS 50 2HZ LYS 50 -8.845 -10.034 0.927 427 H THR 51 H THR 51 -4.807 -5.181 -1.689 428 HA THR 51 HA THR 51 -2.123 -4.090 -1.375 429 HB THR 51 HB THR 51 -3.536 -4.189 -4.046 430 HG1 THR 51 1HG THR 51 -2.079 -5.664 -4.603 431 HG21 THR 51 3HG2 THR 51 -1.026 -2.811 -3.179 432 HG22 THR 51 1HG2 THR 51 -2.388 -2.165 -4.094 433 HG23 THR 51 2HG2 THR 51 -1.283 -3.313 -4.850 434 H PHE 52 H PHE 52 -2.429 -2.257 -0.315 435 HA PHE 52 HA PHE 52 -4.897 -0.745 -0.631 436 HB2 PHE 52 2HB PHE 52 -2.963 -1.102 1.451 437 HB3 PHE 52 1HB PHE 52 -3.059 0.613 1.069 438 HD1 PHE 52 2HD PHE 52 -5.889 0.914 0.370 439 HD2 PHE 52 1HD PHE 52 -4.047 -1.337 3.480 440 HE1 PHE 52 2HE PHE 52 -7.943 1.094 1.711 441 HE2 PHE 52 1HE PHE 52 -6.098 -1.163 4.823 442 HZ PHE 52 HZ PHE 52 -8.049 0.055 3.942 443 H THR 53 H THR 53 -5.060 1.198 -1.682 444 HA THR 53 HA THR 53 -2.588 2.482 -2.583 445 HB THR 53 HB THR 53 -3.718 2.804 -4.854 446 HG1 THR 53 1HG THR 53 -5.268 0.649 -3.855 447 HG21 THR 53 3HG2 THR 53 -2.883 0.802 -5.765 448 HG22 THR 53 1HG2 THR 53 -3.067 -0.059 -4.238 449 HG23 THR 53 2HG2 THR 53 -1.841 1.197 -4.400 450 H VAL 54 H VAL 54 -2.736 4.679 -3.025 451 HA VAL 54 HA VAL 54 -5.279 5.964 -2.274 452 HB VAL 54 HB VAL 54 -2.529 7.015 -1.592 453 HG11 VAL 54 1HG1 VAL 54 -3.513 8.871 -0.778 454 HG12 VAL 54 2HG1 VAL 54 -4.927 7.995 -0.193 455 HG13 VAL 54 3HG1 VAL 54 -4.806 8.438 -1.895 456 HG21 VAL 54 3HG2 VAL 54 -3.256 6.493 0.776 457 HG22 VAL 54 1HG2 VAL 54 -2.835 5.108 -0.231 458 HG23 VAL 54 2HG2 VAL 54 -4.528 5.498 0.067 459 H THR 55 H THR 55 -5.984 6.572 -4.243 460 HA THR 55 HA THR 55 -4.156 7.980 -6.047 461 HB THR 55 HB THR 55 -6.934 6.885 -6.529 462 HG1 THR 55 1HG THR 55 -5.777 5.352 -7.785 463 HG21 THR 55 3HG2 THR 55 -6.735 8.570 -8.113 464 HG22 THR 55 1HG2 THR 55 -6.199 7.123 -8.961 465 HG23 THR 55 2HG2 THR 55 -5.014 8.278 -8.352 466 H GLU 56 H GLU 56 -5.036 9.893 -7.200 467 HA GLU 56 HA GLU 56 -5.781 11.905 -5.437 468 HB2 GLU 56 2HB GLU 56 -6.269 11.896 -8.421 469 HB3 GLU 56 1HB GLU 56 -6.116 13.308 -7.388 470 HG2 GLU 56 2HG GLU 56 -3.868 13.206 -7.352 471 HG3 GLU 56 1HG GLU 56 -3.835 11.442 -7.352 Start of MODEL 3 1 H1 THR 1 1HT THR 1 1.920 -12.321 4.888 2 H2 THR 1 2HT THR 1 2.117 -13.638 3.805 3 H3 THR 1 3HT THR 1 0.894 -13.689 5.008 4 HA THR 1 HA THR 1 0.198 -13.178 2.679 5 HB THR 1 HB THR 1 -1.238 -12.880 4.611 6 HG1 THR 1 1HG THR 1 -2.166 -11.997 2.843 7 HG21 THR 1 3HG2 THR 1 -0.713 -11.537 6.280 8 HG22 THR 1 1HG2 THR 1 -0.996 -10.153 5.226 9 HG23 THR 1 2HG2 THR 1 0.619 -10.849 5.351 10 H THR 2 H THR 2 1.086 -12.219 0.969 11 HA THR 2 HA THR 2 2.833 -9.993 1.129 12 HB THR 2 HB THR 2 1.423 -10.739 -1.407 13 HG1 THR 2 1HG THR 2 3.488 -12.257 -0.193 14 HG21 THR 2 3HG2 THR 2 4.360 -10.347 -1.011 15 HG22 THR 2 1HG2 THR 2 3.272 -8.976 -1.229 16 HG23 THR 2 2HG2 THR 2 3.404 -10.205 -2.486 17 H TYR 3 H TYR 3 2.440 -7.869 1.080 18 HA TYR 3 HA TYR 3 -0.258 -6.974 0.311 19 HB2 TYR 3 2HB TYR 3 1.034 -6.737 2.870 20 HB3 TYR 3 1HB TYR 3 0.759 -5.132 2.198 21 HD1 TYR 3 2HD TYR 3 -1.513 -4.340 1.755 22 HD2 TYR 3 1HD TYR 3 -0.822 -8.147 3.534 23 HE1 TYR 3 2HE TYR 3 -3.870 -4.441 2.443 24 HE2 TYR 3 1HE TYR 3 -3.180 -8.257 4.220 25 HH TYR 3 HH TYR 3 -5.086 -6.009 4.624 26 H LYS 4 H LYS 4 -0.213 -5.618 -1.342 27 HA LYS 4 HA LYS 4 2.279 -4.198 -1.949 28 HB2 LYS 4 2HB LYS 4 -0.031 -5.160 -3.570 29 HB3 LYS 4 1HB LYS 4 0.855 -3.755 -4.145 30 HG2 LYS 4 2HG LYS 4 2.449 -5.047 -4.967 31 HG3 LYS 4 1HG LYS 4 2.717 -5.779 -3.384 32 HD2 LYS 4 2HD LYS 4 0.342 -6.914 -4.346 33 HD3 LYS 4 1HD LYS 4 1.446 -6.884 -5.723 34 HE2 LYS 4 2HE LYS 4 2.853 -8.391 -4.796 35 HE3 LYS 4 1HE LYS 4 2.600 -7.780 -3.161 36 HZ1 LYS 4 3HZ LYS 4 0.563 -8.965 -3.003 37 HZ2 LYS 4 1HZ LYS 4 1.727 -10.057 -3.565 38 HZ3 LYS 4 2HZ LYS 4 0.598 -9.397 -4.638 39 H LEU 5 H LEU 5 2.278 -1.972 -2.489 40 HA LEU 5 HA LEU 5 -0.125 -0.475 -1.701 41 HB2 LEU 5 2HB LEU 5 2.230 -0.619 -0.196 42 HB3 LEU 5 1HB LEU 5 2.300 0.935 -1.011 43 HG LEU 5 HG LEU 5 -0.001 -0.001 0.707 44 HD11 LEU 5 1HD1 LEU 5 2.227 0.451 1.859 45 HD12 LEU 5 2HD1 LEU 5 0.821 1.346 2.440 46 HD13 LEU 5 3HD1 LEU 5 1.995 2.135 1.387 47 HD21 LEU 5 3HD2 LEU 5 0.562 2.779 -0.285 48 HD22 LEU 5 1HD2 LEU 5 -0.914 2.152 0.451 49 HD23 LEU 5 2HD2 LEU 5 -0.455 1.645 -1.174 50 H ILE 6 H ILE 6 -0.670 1.107 -3.071 51 HA ILE 6 HA ILE 6 1.382 2.268 -4.780 52 HB ILE 6 HB ILE 6 -1.179 1.710 -6.159 53 HG12 ILE 6 2HG1 ILE 6 0.939 -0.426 -5.824 54 HG13 ILE 6 1HG1 ILE 6 -0.641 -0.451 -5.046 55 HG21 ILE 6 1HG2 ILE 6 0.620 2.991 -7.209 56 HG22 ILE 6 2HG2 ILE 6 0.286 1.499 -8.088 57 HG23 ILE 6 3HG2 ILE 6 1.701 1.607 -7.040 58 HD11 ILE 6 3HD1 ILE 6 -0.724 -0.119 -7.952 59 HD12 ILE 6 1HD1 ILE 6 -1.669 -1.168 -6.896 60 HD13 ILE 6 2HD1 ILE 6 -0.050 -1.652 -7.398 61 H LEU 7 H LEU 7 1.302 4.380 -4.394 62 HA LEU 7 HA LEU 7 -1.323 5.606 -3.896 63 HB2 LEU 7 2HB LEU 7 1.394 6.627 -3.086 64 HB3 LEU 7 1HB LEU 7 -0.153 7.361 -2.683 65 HG LEU 7 HG LEU 7 -0.521 4.889 -1.649 66 HD11 LEU 7 1HD1 LEU 7 1.642 4.454 -0.369 67 HD12 LEU 7 2HD1 LEU 7 2.427 5.440 -1.601 68 HD13 LEU 7 3HD1 LEU 7 1.586 3.960 -2.062 69 HD21 LEU 7 3HD2 LEU 7 -0.427 7.409 -0.704 70 HD22 LEU 7 1HD2 LEU 7 0.974 6.718 0.112 71 HD23 LEU 7 2HD2 LEU 7 -0.616 5.985 0.319 72 H ASN 8 H ASN 8 -2.131 6.738 -5.516 73 HA ASN 8 HA ASN 8 -0.285 7.921 -7.468 74 HB2 ASN 8 2HB ASN 8 -2.030 6.408 -8.349 75 HB3 ASN 8 1HB ASN 8 -3.271 7.469 -7.682 76 HD21 ASN 8 1HD2 ASN 8 -0.864 7.062 -10.144 77 HD22 ASN 8 2HD2 ASN 8 -1.369 8.378 -11.142 78 H LEU 9 H LEU 9 -0.055 10.056 -7.671 79 HA LEU 9 HA LEU 9 -2.062 11.839 -6.512 80 HB2 LEU 9 2HB LEU 9 0.013 13.209 -5.676 81 HB3 LEU 9 1HB LEU 9 -0.661 11.915 -4.700 82 HG LEU 9 HG LEU 9 1.597 11.319 -6.574 83 HD11 LEU 9 1HD1 LEU 9 3.218 11.913 -4.901 84 HD12 LEU 9 2HD1 LEU 9 1.948 12.431 -3.795 85 HD13 LEU 9 3HD1 LEU 9 2.247 13.328 -5.282 86 HD21 LEU 9 3HD2 LEU 9 0.292 10.104 -4.222 87 HD22 LEU 9 1HD2 LEU 9 2.040 9.911 -4.348 88 HD23 LEU 9 2HD2 LEU 9 0.995 9.349 -5.652 89 H LYS 10 H LYS 10 -0.917 14.252 -6.915 90 HA LYS 10 HA LYS 10 -0.819 14.391 -9.821 91 HB2 LYS 10 2HB LYS 10 -1.266 16.368 -7.624 92 HB3 LYS 10 1HB LYS 10 -0.781 16.939 -9.215 93 HG2 LYS 10 2HG LYS 10 -2.761 15.457 -10.040 94 HG3 LYS 10 1HG LYS 10 -3.308 15.605 -8.368 95 HD2 LYS 10 2HD LYS 10 -2.613 18.186 -9.034 96 HD3 LYS 10 1HD LYS 10 -3.323 17.571 -10.527 97 HE2 LYS 10 2HE LYS 10 -4.630 17.387 -7.816 98 HE3 LYS 10 1HE LYS 10 -4.959 18.654 -8.995 99 HZ1 LYS 10 3HZ LYS 10 -5.254 15.807 -9.710 100 HZ2 LYS 10 1HZ LYS 10 -5.960 17.166 -10.441 101 HZ3 LYS 10 2HZ LYS 10 -6.502 16.637 -8.926 102 H GLN 11 H GLN 11 1.487 13.333 -8.367 103 HA GLN 11 HA GLN 11 3.495 15.146 -9.469 104 HB2 GLN 11 2HB GLN 11 3.521 14.060 -6.644 105 HB3 GLN 11 1HB GLN 11 4.929 14.775 -7.437 106 HG2 GLN 11 2HG GLN 11 4.274 16.781 -6.800 107 HG3 GLN 11 1HG GLN 11 2.785 16.589 -7.721 108 HE21 GLN 11 1HE2 GLN 11 0.904 16.017 -6.673 109 HE22 GLN 11 2HE2 GLN 11 0.748 16.039 -4.954 110 H ALA 12 H ALA 12 2.900 12.012 -7.906 111 HA ALA 12 HA ALA 12 3.967 10.493 -10.009 112 HB1 ALA 12 1HB ALA 12 5.863 11.142 -7.779 113 HB2 ALA 12 2HB ALA 12 6.139 11.187 -9.521 114 HB3 ALA 12 3HB ALA 12 6.000 9.639 -8.692 115 H LYS 13 H LYS 13 3.599 8.310 -9.722 116 HA LYS 13 HA LYS 13 1.882 7.635 -7.504 117 HB2 LYS 13 2HB LYS 13 1.522 5.532 -8.669 118 HB3 LYS 13 1HB LYS 13 1.365 6.877 -9.790 119 HG2 LYS 13 2HG LYS 13 3.657 6.451 -10.584 120 HG3 LYS 13 1HG LYS 13 3.749 5.060 -9.503 121 HD2 LYS 13 2HD LYS 13 1.364 4.771 -10.973 122 HD3 LYS 13 1HD LYS 13 2.609 5.245 -12.130 123 HE2 LYS 13 2HE LYS 13 3.433 3.203 -10.185 124 HE3 LYS 13 1HE LYS 13 2.160 2.699 -11.296 125 HZ1 LYS 13 3HZ LYS 13 4.170 2.161 -12.343 126 HZ2 LYS 13 1HZ LYS 13 4.887 3.643 -11.952 127 HZ3 LYS 13 2HZ LYS 13 3.659 3.577 -13.111 128 H GLU 14 H GLU 14 2.268 6.081 -5.911 129 HA GLU 14 HA GLU 14 5.113 5.491 -5.491 130 HB2 GLU 14 2HB GLU 14 2.798 5.307 -3.553 131 HB3 GLU 14 1HB GLU 14 4.498 5.054 -3.158 132 HG2 GLU 14 2HG GLU 14 3.590 7.639 -4.351 133 HG3 GLU 14 1HG GLU 14 3.387 7.324 -2.628 134 H GLU 15 H GLU 15 5.758 3.384 -4.738 135 HA GLU 15 HA GLU 15 3.895 1.188 -5.085 136 HB2 GLU 15 2HB GLU 15 5.973 1.884 -7.064 137 HB3 GLU 15 1HB GLU 15 5.925 0.191 -6.592 138 HG2 GLU 15 2HG GLU 15 3.369 0.434 -7.054 139 HG3 GLU 15 1HG GLU 15 3.879 1.821 -8.015 140 H ALA 16 H ALA 16 4.476 -0.634 -3.962 141 HA ALA 16 HA ALA 16 7.065 -1.286 -3.103 142 HB1 ALA 16 1HB ALA 16 7.349 -0.350 -1.070 143 HB2 ALA 16 2HB ALA 16 5.628 -0.400 -0.685 144 HB3 ALA 16 3HB ALA 16 6.264 0.879 -1.722 145 H ILE 17 H ILE 17 7.137 -3.248 -2.004 146 HA ILE 17 HA ILE 17 4.523 -4.556 -1.609 147 HB ILE 17 HB ILE 17 7.067 -6.015 -2.292 148 HG12 ILE 17 2HG1 ILE 17 5.634 -6.146 -4.585 149 HG13 ILE 17 1HG1 ILE 17 5.203 -4.526 -4.049 150 HG21 ILE 17 1HG2 ILE 17 4.159 -6.726 -2.171 151 HG22 ILE 17 2HG2 ILE 17 5.531 -7.512 -1.389 152 HG23 ILE 17 3HG2 ILE 17 5.294 -7.675 -3.129 153 HD11 ILE 17 3HD1 ILE 17 7.918 -4.557 -3.718 154 HD12 ILE 17 1HD1 ILE 17 7.054 -3.884 -5.100 155 HD13 ILE 17 2HD1 ILE 17 7.689 -5.527 -5.174 156 H LYS 18 H LYS 18 4.134 -5.511 0.303 157 HA LYS 18 HA LYS 18 6.347 -6.071 2.118 158 HB2 LYS 18 2HB LYS 18 5.087 -3.727 2.417 159 HB3 LYS 18 1HB LYS 18 3.983 -4.743 3.333 160 HG2 LYS 18 2HG LYS 18 5.638 -3.737 4.786 161 HG3 LYS 18 1HG LYS 18 5.838 -5.490 4.736 162 HD2 LYS 18 2HD LYS 18 7.977 -5.153 4.210 163 HD3 LYS 18 1HD LYS 18 7.432 -4.508 2.661 164 HE2 LYS 18 2HE LYS 18 7.173 -2.279 3.853 165 HE3 LYS 18 1HE LYS 18 8.070 -3.004 5.187 166 HZ1 LYS 18 3HZ LYS 18 9.623 -1.867 3.844 167 HZ2 LYS 18 1HZ LYS 18 9.012 -2.538 2.415 168 HZ3 LYS 18 2HZ LYS 18 9.847 -3.511 3.517 169 H GLU 19 H GLU 19 6.122 -8.117 2.672 170 HA GLU 19 HA GLU 19 3.436 -9.267 2.869 171 HB2 GLU 19 2HB GLU 19 4.729 -11.467 2.826 172 HB3 GLU 19 1HB GLU 19 4.713 -10.531 1.338 173 HG2 GLU 19 2HG GLU 19 6.932 -9.819 1.637 174 HG3 GLU 19 1HG GLU 19 6.957 -10.345 3.320 175 H LEU 20 H LEU 20 2.721 -9.048 4.866 176 HA LEU 20 HA LEU 20 4.531 -9.532 7.122 177 HB2 LEU 20 2HB LEU 20 2.075 -7.933 6.721 178 HB3 LEU 20 1HB LEU 20 2.245 -8.697 8.290 179 HG LEU 20 HG LEU 20 4.604 -7.605 8.301 180 HD11 LEU 20 1HD1 LEU 20 3.308 -6.364 5.956 181 HD12 LEU 20 2HD1 LEU 20 5.017 -6.632 6.304 182 HD13 LEU 20 3HD1 LEU 20 4.166 -5.279 7.050 183 HD21 LEU 20 3HD2 LEU 20 1.943 -6.482 8.894 184 HD22 LEU 20 1HD2 LEU 20 3.281 -5.332 8.869 185 HD23 LEU 20 2HD2 LEU 20 3.336 -6.727 9.948 186 H VAL 21 H VAL 21 2.933 -10.344 9.100 187 HA VAL 21 HA VAL 21 2.077 -12.991 8.181 188 HB VAL 21 HB VAL 21 3.766 -12.876 9.988 189 HG11 VAL 21 1HG1 VAL 21 1.537 -11.701 11.646 190 HG12 VAL 21 2HG1 VAL 21 2.949 -10.819 11.064 191 HG13 VAL 21 3HG1 VAL 21 3.147 -12.142 12.214 192 HG21 VAL 21 3HG2 VAL 21 1.446 -14.025 11.394 193 HG22 VAL 21 1HG2 VAL 21 2.983 -14.764 10.940 194 HG23 VAL 21 2HG2 VAL 21 1.698 -14.592 9.744 195 H ASP 22 H ASP 22 0.479 -10.389 8.085 196 HA ASP 22 HA ASP 22 -2.043 -11.453 8.540 197 HB2 ASP 22 2HB ASP 22 -1.416 -11.302 10.935 198 HB3 ASP 22 1HB ASP 22 -1.174 -9.569 10.744 199 H ALA 23 H ALA 23 -3.617 -10.172 7.717 200 HA ALA 23 HA ALA 23 -2.812 -7.976 6.105 201 HB1 ALA 23 1HB ALA 23 -5.178 -7.829 5.483 202 HB2 ALA 23 2HB ALA 23 -5.578 -8.981 6.757 203 HB3 ALA 23 3HB ALA 23 -4.578 -9.485 5.396 204 H GLY 24 H GLY 24 -3.433 -8.083 9.368 205 HA2 GLY 24 2HA GLY 24 -4.771 -5.515 9.566 206 HA3 GLY 24 1HA GLY 24 -4.263 -6.536 10.905 207 H THR 25 H THR 25 -1.760 -6.821 10.938 208 HA THR 25 HA THR 25 -0.632 -4.336 11.563 209 HB THR 25 HB THR 25 1.531 -5.580 11.656 210 HG1 THR 25 1HG THR 25 -0.015 -7.805 10.829 211 HG21 THR 25 3HG2 THR 25 0.976 -7.112 13.407 212 HG22 THR 25 1HG2 THR 25 -0.716 -7.131 12.907 213 HG23 THR 25 2HG2 THR 25 -0.008 -5.657 13.571 214 H ALA 26 H ALA 26 -0.609 -6.240 8.614 215 HA ALA 26 HA ALA 26 1.382 -4.693 7.284 216 HB1 ALA 26 1HB ALA 26 1.209 -6.216 5.639 217 HB2 ALA 26 2HB ALA 26 -0.553 -6.143 5.615 218 HB3 ALA 26 3HB ALA 26 0.273 -7.125 6.824 219 H GLU 27 H GLU 27 -2.150 -4.615 7.492 220 HA GLU 27 HA GLU 27 -2.370 -2.599 5.436 221 HB2 GLU 27 2HB GLU 27 -4.702 -2.574 5.857 222 HB3 GLU 27 1HB GLU 27 -4.196 -4.248 6.007 223 HG2 GLU 27 2HG GLU 27 -4.314 -4.144 8.384 224 HG3 GLU 27 1HG GLU 27 -4.560 -2.401 8.352 225 H LYS 28 H LYS 28 -2.128 -2.666 8.918 226 HA LYS 28 HA LYS 28 -2.845 0.042 9.373 227 HB2 LYS 28 2HB LYS 28 -1.261 -1.952 10.992 228 HB3 LYS 28 1HB LYS 28 -1.586 -0.321 11.550 229 HG2 LYS 28 2HG LYS 28 -3.973 -0.741 11.470 230 HG3 LYS 28 1HG LYS 28 -3.683 -2.357 10.826 231 HD2 LYS 28 2HD LYS 28 -3.701 -3.063 12.942 232 HD3 LYS 28 1HD LYS 28 -2.130 -2.277 13.116 233 HE2 LYS 28 2HE LYS 28 -2.967 -0.573 14.331 234 HE3 LYS 28 1HE LYS 28 -4.462 -0.506 13.395 235 HZ1 LYS 28 3HZ LYS 28 -4.669 -1.227 15.791 236 HZ2 LYS 28 1HZ LYS 28 -3.900 -2.668 15.341 237 HZ3 LYS 28 2HZ LYS 28 -5.383 -2.253 14.642 238 H TYR 29 H TYR 29 0.318 -1.591 9.217 239 HA TYR 29 HA TYR 29 1.928 0.668 9.477 240 HB2 TYR 29 2HB TYR 29 2.438 -1.963 9.260 241 HB3 TYR 29 1HB TYR 29 2.848 -1.462 7.617 242 HD1 TYR 29 1HD TYR 29 4.643 0.241 7.271 243 HD2 TYR 29 2HD TYR 29 3.870 -1.475 11.086 244 HE1 TYR 29 1HE TYR 29 6.852 0.989 8.049 245 HE2 TYR 29 2HE TYR 29 6.077 -0.731 11.875 246 HH TYR 29 HH TYR 29 8.398 -0.172 10.594 247 H PHE 30 H PHE 30 0.542 -0.819 6.575 248 HA PHE 30 HA PHE 30 1.761 0.888 4.695 249 HB2 PHE 30 2HB PHE 30 -0.513 -1.020 4.703 250 HB3 PHE 30 1HB PHE 30 -0.505 0.187 3.419 251 HD1 PHE 30 2HD PHE 30 2.745 -0.807 4.618 252 HD2 PHE 30 1HD PHE 30 -0.369 -1.783 1.887 253 HE1 PHE 30 2HE PHE 30 4.315 -2.189 3.327 254 HE2 PHE 30 1HE PHE 30 1.196 -3.170 0.593 255 HZ PHE 30 HZ PHE 30 3.540 -3.373 1.309 256 H LYS 31 H LYS 31 -1.118 1.184 6.657 257 HA LYS 31 HA LYS 31 -2.199 3.432 5.270 258 HB2 LYS 31 2HB LYS 31 -3.041 1.705 7.322 259 HB3 LYS 31 1HB LYS 31 -3.010 3.309 8.041 260 HG2 LYS 31 2HG LYS 31 -4.987 3.692 7.127 261 HG3 LYS 31 1HG LYS 31 -4.216 3.637 5.541 262 HD2 LYS 31 2HD LYS 31 -4.826 1.432 5.179 263 HD3 LYS 31 1HD LYS 31 -5.020 1.097 6.901 264 HE2 LYS 31 2HE LYS 31 -7.200 1.165 5.972 265 HE3 LYS 31 1HE LYS 31 -6.987 2.667 6.870 266 HZ1 LYS 31 3HZ LYS 31 -6.539 2.453 3.947 267 HZ2 LYS 31 1HZ LYS 31 -6.659 3.863 4.875 268 HZ3 LYS 31 2HZ LYS 31 -8.024 2.898 4.623 269 H LEU 32 H LEU 32 -0.159 3.015 8.124 270 HA LEU 32 HA LEU 32 -0.126 5.669 9.002 271 HB2 LEU 32 2HB LEU 32 1.290 3.236 9.565 272 HB3 LEU 32 1HB LEU 32 2.435 4.565 9.477 273 HG LEU 32 HG LEU 32 1.230 5.776 11.197 274 HD11 LEU 32 1HD1 LEU 32 -0.641 4.560 12.392 275 HD12 LEU 32 2HD1 LEU 32 -0.720 3.501 10.985 276 HD13 LEU 32 3HD1 LEU 32 -1.027 5.227 10.802 277 HD21 LEU 32 3HD2 LEU 32 2.762 4.538 12.313 278 HD22 LEU 32 1HD2 LEU 32 2.183 3.012 11.650 279 HD23 LEU 32 2HD2 LEU 32 1.307 3.786 12.978 280 H ILE 33 H ILE 33 2.321 3.990 7.016 281 HA ILE 33 HA ILE 33 3.900 6.200 6.430 282 HB ILE 33 HB ILE 33 4.574 3.888 5.939 283 HG12 ILE 33 2HG1 ILE 33 5.679 4.328 3.796 284 HG13 ILE 33 1HG1 ILE 33 4.566 5.655 3.481 285 HG21 ILE 33 1HG2 ILE 33 2.316 3.224 5.038 286 HG22 ILE 33 2HG2 ILE 33 3.708 2.636 4.127 287 HG23 ILE 33 3HG2 ILE 33 2.780 4.010 3.528 288 HD11 ILE 33 3HD1 ILE 33 7.045 5.822 4.685 289 HD12 ILE 33 1HD1 ILE 33 5.905 5.960 6.023 290 HD13 ILE 33 2HD1 ILE 33 5.799 7.071 4.658 291 H ALA 34 H ALA 34 1.027 4.982 4.762 292 HA ALA 34 HA ALA 34 1.160 6.837 2.607 293 HB1 ALA 34 1HB ALA 34 -0.834 4.877 3.609 294 HB2 ALA 34 2HB ALA 34 -0.110 5.039 2.009 295 HB3 ALA 34 3HB ALA 34 -1.390 6.142 2.514 296 H ASN 35 H ASN 35 -0.361 6.845 5.772 297 HA ASN 35 HA ASN 35 -2.094 9.016 5.428 298 HB2 ASN 35 2HB ASN 35 -1.886 7.369 7.410 299 HB3 ASN 35 1HB ASN 35 -0.661 8.479 8.017 300 HD21 ASN 35 1HD2 ASN 35 -1.374 10.807 8.083 301 HD22 ASN 35 2HD2 ASN 35 -2.978 11.111 8.648 302 H ALA 36 H ALA 36 1.339 8.881 6.145 303 HA ALA 36 HA ALA 36 1.473 11.773 6.488 304 HB1 ALA 36 1HB ALA 36 3.268 9.495 7.057 305 HB2 ALA 36 2HB ALA 36 2.929 10.941 8.009 306 HB3 ALA 36 3HB ALA 36 4.038 11.026 6.640 307 H LYS 37 H LYS 37 2.199 9.310 4.134 308 HA LYS 37 HA LYS 37 3.905 10.890 2.491 309 HB2 LYS 37 2HB LYS 37 2.471 8.293 2.213 310 HB3 LYS 37 1HB LYS 37 3.025 9.087 0.745 311 HG2 LYS 37 2HG LYS 37 4.901 8.677 3.034 312 HG3 LYS 37 1HG LYS 37 4.548 7.358 1.914 313 HD2 LYS 37 2HD LYS 37 5.730 8.298 0.243 314 HD3 LYS 37 1HD LYS 37 5.180 9.927 0.636 315 HE2 LYS 37 2HE LYS 37 6.942 10.340 1.989 316 HE3 LYS 37 1HE LYS 37 7.010 8.680 2.582 317 HZ1 LYS 37 3HZ LYS 37 8.380 8.039 0.908 318 HZ2 LYS 37 1HZ LYS 37 8.850 9.662 1.001 319 HZ3 LYS 37 2HZ LYS 37 7.769 9.162 -0.200 320 H THR 38 H THR 38 0.734 9.601 1.522 321 HA THR 38 HA THR 38 -0.042 12.269 0.600 322 HB THR 38 HB THR 38 -0.652 10.006 -1.226 323 HG1 THR 38 1HG THR 38 1.916 11.133 -0.896 324 HG21 THR 38 3HG2 THR 38 -0.266 12.928 -1.429 325 HG22 THR 38 1HG2 THR 38 -1.450 11.873 -2.204 326 HG23 THR 38 2HG2 THR 38 0.203 11.939 -2.817 327 H VAL 39 H VAL 39 -2.100 12.740 1.042 328 HA VAL 39 HA VAL 39 -4.159 10.736 1.130 329 HB VAL 39 HB VAL 39 -4.824 11.374 3.508 330 HG11 VAL 39 1HG1 VAL 39 -2.265 9.877 3.624 331 HG12 VAL 39 2HG1 VAL 39 -3.544 9.250 2.584 332 HG13 VAL 39 3HG1 VAL 39 -3.842 9.482 4.307 333 HG21 VAL 39 3HG2 VAL 39 -3.444 12.535 4.870 334 HG22 VAL 39 1HG2 VAL 39 -2.847 13.192 3.348 335 HG23 VAL 39 2HG2 VAL 39 -1.984 11.876 4.132 336 H GLU 40 H GLU 40 -5.476 11.857 -0.191 337 HA GLU 40 HA GLU 40 -6.839 14.141 0.858 338 HB2 GLU 40 2HB GLU 40 -4.719 14.484 -1.191 339 HB3 GLU 40 1HB GLU 40 -6.218 15.377 -1.444 340 HG2 GLU 40 2HG GLU 40 -5.909 16.158 0.988 341 HG3 GLU 40 1HG GLU 40 -4.246 15.605 0.792 342 H GLY 41 H GLY 41 -6.122 12.221 -2.039 343 HA2 GLY 41 2HA GLY 41 -8.677 12.738 -3.239 344 HA3 GLY 41 1HA GLY 41 -7.486 11.568 -3.786 345 H VAL 42 H VAL 42 -8.581 9.724 -3.997 346 HA VAL 42 HA VAL 42 -10.323 8.870 -1.778 347 HB VAL 42 HB VAL 42 -11.472 9.071 -3.943 348 HG11 VAL 42 1HG1 VAL 42 -9.399 7.089 -4.842 349 HG12 VAL 42 2HG1 VAL 42 -9.743 8.676 -5.514 350 HG13 VAL 42 3HG1 VAL 42 -10.906 7.369 -5.712 351 HG21 VAL 42 3HG2 VAL 42 -11.132 6.292 -2.843 352 HG22 VAL 42 1HG2 VAL 42 -12.356 6.716 -4.041 353 HG23 VAL 42 2HG2 VAL 42 -12.383 7.471 -2.447 354 H TRP 43 H TRP 43 -10.124 6.826 -0.910 355 HA TRP 43 HA TRP 43 -7.533 5.547 -1.389 356 HB2 TRP 43 2HB TRP 43 -9.439 5.629 0.916 357 HB3 TRP 43 1HB TRP 43 -8.341 4.254 0.764 358 HD1 TRP 43 HD TRP 43 -7.877 8.117 0.511 359 HE1 TRP 43 1HE TRP 43 -5.779 8.739 1.867 360 HE3 TRP 43 3HE TRP 43 -6.540 3.454 2.126 361 HZ2 TRP 43 2HZ TRP 43 -3.817 7.427 3.416 362 HZ3 TRP 43 3HZ TRP 43 -4.539 3.224 3.540 363 HH2 TRP 43 HH TRP 43 -3.207 5.170 4.170 364 H THR 44 H THR 44 -7.503 3.883 -2.740 365 HA THR 44 HA THR 44 -9.917 2.235 -3.028 366 HB THR 44 HB THR 44 -7.552 2.060 -4.863 367 HG1 THR 44 1HG THR 44 -9.591 4.028 -4.967 368 HG21 THR 44 3HG2 THR 44 -9.411 1.780 -6.547 369 HG22 THR 44 1HG2 THR 44 -10.503 1.631 -5.172 370 HG23 THR 44 2HG2 THR 44 -9.194 0.469 -5.387 371 H TYR 45 H TYR 45 -9.569 -0.108 -3.386 372 HA TYR 45 HA TYR 45 -7.145 -1.220 -2.226 373 HB2 TYR 45 2HB TYR 45 -8.596 -0.825 -0.278 374 HB3 TYR 45 1HB TYR 45 -9.877 -1.769 -1.045 375 HD1 TYR 45 2HD TYR 45 -9.724 -4.194 -1.179 376 HD2 TYR 45 1HD TYR 45 -6.654 -1.912 0.683 377 HE1 TYR 45 2HE TYR 45 -8.827 -6.243 -0.159 378 HE2 TYR 45 1HE TYR 45 -5.748 -3.955 1.709 379 HH TYR 45 HH TYR 45 -6.516 -6.199 2.330 380 H LYS 46 H LYS 46 -6.861 -3.454 -2.651 381 HA LYS 46 HA LYS 46 -8.779 -4.631 -4.541 382 HB2 LYS 46 2HB LYS 46 -5.976 -3.917 -5.010 383 HB3 LYS 46 1HB LYS 46 -6.348 -5.592 -5.419 384 HG2 LYS 46 2HG LYS 46 -7.778 -5.005 -7.110 385 HG3 LYS 46 1HG LYS 46 -8.158 -3.438 -6.395 386 HD2 LYS 46 2HD LYS 46 -6.422 -2.420 -7.406 387 HD3 LYS 46 1HD LYS 46 -5.344 -3.793 -7.155 388 HE2 LYS 46 2HE LYS 46 -7.472 -4.353 -9.063 389 HE3 LYS 46 1HE LYS 46 -6.449 -3.005 -9.556 390 HZ1 LYS 46 3HZ LYS 46 -5.751 -5.828 -9.179 391 HZ2 LYS 46 1HZ LYS 46 -4.561 -4.661 -8.886 392 HZ3 LYS 46 2HZ LYS 46 -5.292 -4.760 -10.408 393 H ASP 47 H ASP 47 -9.586 -6.230 -3.315 394 HA ASP 47 HA ASP 47 -8.078 -7.703 -1.412 395 HB2 ASP 47 2HB ASP 47 -10.080 -9.171 -1.313 396 HB3 ASP 47 1HB ASP 47 -10.463 -7.460 -1.123 397 H GLU 48 H GLU 48 -8.325 -7.917 -4.795 398 HA GLU 48 HA GLU 48 -8.150 -10.631 -5.314 399 HB2 GLU 48 2HB GLU 48 -6.921 -8.279 -6.738 400 HB3 GLU 48 1HB GLU 48 -6.846 -9.920 -7.366 401 HG2 GLU 48 2HG GLU 48 -9.256 -10.016 -7.494 402 HG3 GLU 48 1HG GLU 48 -9.382 -8.410 -6.776 403 H ILE 49 H ILE 49 -5.692 -8.424 -4.167 404 HA ILE 49 HA ILE 49 -3.981 -10.696 -3.562 405 HB ILE 49 HB ILE 49 -1.966 -9.467 -4.454 406 HG12 ILE 49 2HG1 ILE 49 -3.221 -7.286 -4.731 407 HG13 ILE 49 1HG1 ILE 49 -2.235 -7.769 -6.107 408 HG21 ILE 49 1HG2 ILE 49 -3.935 -10.352 -6.554 409 HG22 ILE 49 2HG2 ILE 49 -3.027 -11.454 -5.518 410 HG23 ILE 49 3HG2 ILE 49 -2.174 -10.399 -6.645 411 HD11 ILE 49 3HD1 ILE 49 -4.819 -8.840 -6.499 412 HD12 ILE 49 1HD1 ILE 49 -4.002 -7.574 -7.415 413 HD13 ILE 49 2HD1 ILE 49 -5.001 -7.152 -6.024 414 H LYS 50 H LYS 50 -5.565 -8.488 -2.183 415 HA LYS 50 HA LYS 50 -5.369 -7.084 -0.398 416 HB2 LYS 50 2HB LYS 50 -2.896 -8.684 0.252 417 HB3 LYS 50 1HB LYS 50 -3.953 -7.841 1.376 418 HG2 LYS 50 2HG LYS 50 -5.523 -9.700 -0.090 419 HG3 LYS 50 1HG LYS 50 -4.083 -10.530 0.502 420 HD2 LYS 50 2HD LYS 50 -5.282 -10.766 2.392 421 HD3 LYS 50 1HD LYS 50 -4.797 -9.096 2.694 422 HE2 LYS 50 2HE LYS 50 -7.047 -8.880 2.973 423 HE3 LYS 50 1HE LYS 50 -6.947 -8.594 1.236 424 HZ1 LYS 50 3HZ LYS 50 -8.587 -10.368 2.338 425 HZ2 LYS 50 1HZ LYS 50 -7.251 -11.365 2.049 426 HZ3 LYS 50 2HZ LYS 50 -7.973 -10.526 0.770 427 H THR 51 H THR 51 -4.871 -5.247 -1.719 428 HA THR 51 HA THR 51 -2.231 -4.169 -1.122 429 HB THR 51 HB THR 51 -2.032 -5.224 -3.353 430 HG1 THR 51 1HG THR 51 -2.005 -2.397 -3.513 431 HG21 THR 51 3HG2 THR 51 -4.396 -4.846 -4.063 432 HG22 THR 51 1HG2 THR 51 -3.176 -4.418 -5.262 433 HG23 THR 51 2HG2 THR 51 -3.976 -3.154 -4.326 434 H PHE 52 H PHE 52 -2.529 -2.251 -0.234 435 HA PHE 52 HA PHE 52 -5.004 -0.791 -0.684 436 HB2 PHE 52 2HB PHE 52 -3.057 -0.977 1.440 437 HB3 PHE 52 1HB PHE 52 -3.309 0.707 0.999 438 HD1 PHE 52 2HD PHE 52 -6.066 0.960 0.392 439 HD2 PHE 52 1HD PHE 52 -4.219 -1.485 3.346 440 HE1 PHE 52 2HE PHE 52 -8.142 0.995 1.712 441 HE2 PHE 52 1HE PHE 52 -6.292 -1.456 4.671 442 HZ PHE 52 HZ PHE 52 -8.256 -0.214 3.855 443 H THR 53 H THR 53 -5.129 1.268 -1.593 444 HA THR 53 HA THR 53 -2.667 2.454 -2.620 445 HB THR 53 HB THR 53 -3.885 2.788 -4.859 446 HG1 THR 53 1HG THR 53 -5.360 0.594 -3.833 447 HG21 THR 53 3HG2 THR 53 -1.981 1.172 -4.424 448 HG22 THR 53 1HG2 THR 53 -3.026 0.832 -5.803 449 HG23 THR 53 2HG2 THR 53 -3.219 -0.078 -4.305 450 H VAL 54 H VAL 54 -2.747 4.648 -2.948 451 HA VAL 54 HA VAL 54 -5.265 5.986 -2.204 452 HB VAL 54 HB VAL 54 -2.503 6.994 -1.525 453 HG11 VAL 54 1HG1 VAL 54 -3.602 8.642 -0.215 454 HG12 VAL 54 2HG1 VAL 54 -5.169 7.861 -0.428 455 HG13 VAL 54 3HG1 VAL 54 -4.381 8.644 -1.796 456 HG21 VAL 54 3HG2 VAL 54 -3.373 6.424 0.866 457 HG22 VAL 54 1HG2 VAL 54 -2.645 5.162 -0.129 458 HG23 VAL 54 2HG2 VAL 54 -4.400 5.272 0.011 459 H THR 55 H THR 55 -5.957 6.648 -4.167 460 HA THR 55 HA THR 55 -4.087 7.950 -5.992 461 HB THR 55 HB THR 55 -6.993 7.200 -6.371 462 HG1 THR 55 1HG THR 55 -5.466 5.442 -6.177 463 HG21 THR 55 3HG2 THR 55 -6.633 8.868 -7.949 464 HG22 THR 55 1HG2 THR 55 -6.319 7.370 -8.825 465 HG23 THR 55 2HG2 THR 55 -4.973 8.356 -8.251 466 H GLU 56 H GLU 56 -4.759 9.970 -7.059 467 HA GLU 56 HA GLU 56 -6.612 11.643 -5.571 468 HB2 GLU 56 2HB GLU 56 -4.106 11.738 -4.692 469 HB3 GLU 56 1HB GLU 56 -3.920 12.826 -6.053 470 HG2 GLU 56 2HG GLU 56 -6.215 13.730 -4.831 471 HG3 GLU 56 1HG GLU 56 -5.194 13.252 -3.478 Start of MODEL 4 1 H1 THR 1 1HT THR 1 0.491 -12.740 5.117 2 H2 THR 1 2HT THR 1 1.730 -13.343 4.094 3 H3 THR 1 3HT THR 1 0.318 -14.277 4.378 4 HA THR 1 HA THR 1 -0.009 -13.407 2.310 5 HB THR 1 HB THR 1 -1.914 -11.989 2.620 6 HG1 THR 1 1HG THR 1 -0.972 -11.388 5.222 7 HG21 THR 1 3HG2 THR 1 -1.518 -13.785 4.990 8 HG22 THR 1 1HG2 THR 1 -2.418 -14.112 3.509 9 HG23 THR 1 2HG2 THR 1 -3.025 -12.928 4.667 10 H THR 2 H THR 2 0.693 -12.095 0.729 11 HA THR 2 HA THR 2 2.581 -10.013 1.407 12 HB THR 2 HB THR 2 3.142 -11.488 -0.420 13 HG1 THR 2 1HG THR 2 3.698 -9.233 -0.606 14 HG21 THR 2 3HG2 THR 2 1.696 -10.977 -2.598 15 HG22 THR 2 1HG2 THR 2 0.430 -10.841 -1.378 16 HG23 THR 2 2HG2 THR 2 1.365 -12.330 -1.517 17 H TYR 3 H TYR 3 2.264 -7.868 1.313 18 HA TYR 3 HA TYR 3 -0.327 -6.917 0.275 19 HB2 TYR 3 2HB TYR 3 0.863 -6.602 2.888 20 HB3 TYR 3 1HB TYR 3 0.600 -5.030 2.143 21 HD1 TYR 3 1HD TYR 3 -1.038 -8.113 3.311 22 HD2 TYR 3 2HD TYR 3 -1.613 -4.169 1.825 23 HE1 TYR 3 1HE TYR 3 -3.411 -8.228 3.943 24 HE2 TYR 3 2HE TYR 3 -3.988 -4.272 2.455 25 HH TYR 3 HH TYR 3 -5.551 -7.139 3.272 26 H LYS 4 H LYS 4 -0.277 -5.332 -1.199 27 HA LYS 4 HA LYS 4 2.296 -3.968 -1.667 28 HB2 LYS 4 2HB LYS 4 1.203 -5.681 -3.411 29 HB3 LYS 4 1HB LYS 4 0.339 -4.227 -3.891 30 HG2 LYS 4 2HG LYS 4 2.242 -3.173 -4.633 31 HG3 LYS 4 1HG LYS 4 3.304 -4.136 -3.604 32 HD2 LYS 4 2HD LYS 4 3.749 -5.132 -5.605 33 HD3 LYS 4 1HD LYS 4 2.354 -6.099 -5.122 34 HE2 LYS 4 2HE LYS 4 0.895 -4.631 -6.441 35 HE3 LYS 4 1HE LYS 4 2.300 -3.687 -6.933 36 HZ1 LYS 4 3HZ LYS 4 1.400 -6.287 -7.855 37 HZ2 LYS 4 1HZ LYS 4 3.072 -6.128 -7.649 38 HZ3 LYS 4 2HZ LYS 4 2.242 -5.077 -8.682 39 H LEU 5 H LEU 5 2.132 -1.789 -2.592 40 HA LEU 5 HA LEU 5 -0.450 -0.490 -2.138 41 HB2 LEU 5 2HB LEU 5 1.571 -0.334 -0.280 42 HB3 LEU 5 1HB LEU 5 1.801 1.126 -1.228 43 HG LEU 5 HG LEU 5 -0.726 1.519 -0.835 44 HD11 LEU 5 1HD1 LEU 5 -0.102 -0.629 1.157 45 HD12 LEU 5 2HD1 LEU 5 -1.477 -0.494 0.063 46 HD13 LEU 5 3HD1 LEU 5 -1.356 0.572 1.462 47 HD21 LEU 5 3HD2 LEU 5 -0.074 3.056 0.650 48 HD22 LEU 5 1HD2 LEU 5 1.547 2.402 0.418 49 HD23 LEU 5 2HD2 LEU 5 0.556 1.843 1.766 50 H ILE 6 H ILE 6 -0.892 1.246 -3.392 51 HA ILE 6 HA ILE 6 1.201 2.324 -5.100 52 HB ILE 6 HB ILE 6 -1.432 1.666 -6.368 53 HG12 ILE 6 2HG1 ILE 6 -0.437 -0.443 -5.459 54 HG13 ILE 6 1HG1 ILE 6 -0.557 -0.418 -7.215 55 HG21 ILE 6 1HG2 ILE 6 -0.401 3.009 -7.854 56 HG22 ILE 6 2HG2 ILE 6 0.412 1.512 -8.311 57 HG23 ILE 6 3HG2 ILE 6 1.208 2.652 -7.225 58 HD11 ILE 6 3HD1 ILE 6 1.611 -0.801 -7.398 59 HD12 ILE 6 1HD1 ILE 6 1.704 -0.939 -5.643 60 HD13 ILE 6 2HD1 ILE 6 1.985 0.618 -6.421 61 H LEU 7 H LEU 7 1.190 4.421 -4.529 62 HA LEU 7 HA LEU 7 -1.412 5.707 -4.094 63 HB2 LEU 7 2HB LEU 7 1.308 6.641 -3.199 64 HB3 LEU 7 1HB LEU 7 -0.231 7.394 -2.802 65 HG LEU 7 HG LEU 7 -0.706 4.938 -1.836 66 HD11 LEU 7 1HD1 LEU 7 1.363 4.201 -0.647 67 HD12 LEU 7 2HD1 LEU 7 2.277 5.312 -1.668 68 HD13 LEU 7 3HD1 LEU 7 1.399 3.966 -2.396 69 HD21 LEU 7 3HD2 LEU 7 -0.703 5.962 0.174 70 HD22 LEU 7 1HD2 LEU 7 -0.436 7.407 -0.801 71 HD23 LEU 7 2HD2 LEU 7 0.929 6.599 -0.031 72 H ASN 8 H ASN 8 -2.128 7.293 -5.355 73 HA ASN 8 HA ASN 8 -0.227 8.483 -7.272 74 HB2 ASN 8 2HB ASN 8 -1.792 6.922 -8.381 75 HB3 ASN 8 1HB ASN 8 -3.150 7.859 -7.756 76 HD21 ASN 8 1HD2 ASN 8 -3.597 9.870 -8.627 77 HD22 ASN 8 2HD2 ASN 8 -2.923 10.392 -10.127 78 H LEU 9 H LEU 9 -0.022 10.617 -7.105 79 HA LEU 9 HA LEU 9 -2.257 12.145 -5.951 80 HB2 LEU 9 2HB LEU 9 -0.592 13.628 -4.878 81 HB3 LEU 9 1HB LEU 9 -0.572 11.988 -4.256 82 HG LEU 9 HG LEU 9 1.348 12.677 -6.427 83 HD11 LEU 9 1HD1 LEU 9 1.518 13.637 -3.587 84 HD12 LEU 9 2HD1 LEU 9 1.738 14.554 -5.076 85 HD13 LEU 9 3HD1 LEU 9 2.951 13.377 -4.581 86 HD21 LEU 9 3HD2 LEU 9 1.076 10.389 -5.465 87 HD22 LEU 9 1HD2 LEU 9 1.665 11.030 -3.932 88 HD23 LEU 9 2HD2 LEU 9 2.707 11.047 -5.355 89 H LYS 10 H LYS 10 -1.889 11.775 -8.695 90 HA LYS 10 HA LYS 10 -1.647 12.871 -10.680 91 HB2 LYS 10 2HB LYS 10 -2.697 14.853 -8.739 92 HB3 LYS 10 1HB LYS 10 -2.111 15.494 -10.268 93 HG2 LYS 10 2HG LYS 10 -3.724 14.379 -11.501 94 HG3 LYS 10 1HG LYS 10 -4.022 13.194 -10.229 95 HD2 LYS 10 2HD LYS 10 -5.343 14.641 -9.007 96 HD3 LYS 10 1HD LYS 10 -4.597 16.077 -9.708 97 HE2 LYS 10 2HE LYS 10 -5.679 15.078 -11.923 98 HE3 LYS 10 1HE LYS 10 -6.786 14.363 -10.747 99 HZ1 LYS 10 3HZ LYS 10 -7.246 16.703 -11.756 100 HZ2 LYS 10 1HZ LYS 10 -6.162 17.231 -10.569 101 HZ3 LYS 10 2HZ LYS 10 -7.572 16.414 -10.124 102 H GLN 11 H GLN 11 0.774 12.586 -9.027 103 HA GLN 11 HA GLN 11 2.404 14.551 -10.440 104 HB2 GLN 11 2HB GLN 11 1.847 15.306 -8.028 105 HB3 GLN 11 1HB GLN 11 2.952 14.029 -7.531 106 HG2 GLN 11 2HG GLN 11 4.273 15.937 -7.571 107 HG3 GLN 11 1HG GLN 11 4.646 15.124 -9.091 108 HE21 GLN 11 1HE2 GLN 11 5.147 17.817 -8.653 109 HE22 GLN 11 2HE2 GLN 11 4.118 18.753 -9.678 110 H ALA 12 H ALA 12 2.404 11.756 -8.257 111 HA ALA 12 HA ALA 12 4.133 10.293 -10.020 112 HB1 ALA 12 1HB ALA 12 5.351 10.467 -7.341 113 HB2 ALA 12 2HB ALA 12 5.503 11.897 -8.349 114 HB3 ALA 12 3HB ALA 12 6.107 10.353 -8.930 115 H LYS 13 H LYS 13 3.723 8.174 -9.843 116 HA LYS 13 HA LYS 13 1.836 7.292 -7.847 117 HB2 LYS 13 2HB LYS 13 1.599 6.541 -10.160 118 HB3 LYS 13 1HB LYS 13 3.193 5.799 -10.098 119 HG2 LYS 13 2HG LYS 13 2.026 4.561 -8.017 120 HG3 LYS 13 1HG LYS 13 0.616 4.850 -9.038 121 HD2 LYS 13 2HD LYS 13 3.148 3.621 -10.097 122 HD3 LYS 13 1HD LYS 13 1.857 2.654 -9.383 123 HE2 LYS 13 2HE LYS 13 0.579 2.827 -11.208 124 HE3 LYS 13 1HE LYS 13 0.880 4.557 -11.356 125 HZ1 LYS 13 3HZ LYS 13 3.053 3.995 -12.358 126 HZ2 LYS 13 1HZ LYS 13 1.739 3.454 -13.276 127 HZ3 LYS 13 2HZ LYS 13 2.620 2.360 -12.334 128 H GLU 14 H GLU 14 2.254 6.093 -6.057 129 HA GLU 14 HA GLU 14 5.070 5.522 -5.491 130 HB2 GLU 14 2HB GLU 14 2.700 5.337 -3.624 131 HB3 GLU 14 1HB GLU 14 4.406 5.302 -3.178 132 HG2 GLU 14 2HG GLU 14 3.171 7.662 -4.556 133 HG3 GLU 14 1HG GLU 14 3.134 7.471 -2.804 134 H GLU 15 H GLU 15 5.701 3.473 -4.576 135 HA GLU 15 HA GLU 15 3.876 1.240 -4.887 136 HB2 GLU 15 2HB GLU 15 5.755 0.044 -6.246 137 HB3 GLU 15 1HB GLU 15 4.619 1.100 -7.073 138 HG2 GLU 15 2HG GLU 15 6.754 1.605 -7.928 139 HG3 GLU 15 1HG GLU 15 6.319 2.933 -6.852 140 H ALA 16 H ALA 16 4.300 -0.381 -3.488 141 HA ALA 16 HA ALA 16 6.933 -0.756 -2.365 142 HB1 ALA 16 1HB ALA 16 5.991 -0.524 0.008 143 HB2 ALA 16 2HB ALA 16 4.697 0.411 -0.742 144 HB3 ALA 16 3HB ALA 16 6.369 0.955 -0.878 145 H ILE 17 H ILE 17 7.054 -2.638 -0.958 146 HA ILE 17 HA ILE 17 4.774 -4.476 -1.260 147 HB ILE 17 HB ILE 17 6.525 -6.324 -1.454 148 HG12 ILE 17 2HG1 ILE 17 8.400 -4.554 -2.811 149 HG13 ILE 17 1HG1 ILE 17 8.283 -4.198 -1.090 150 HG21 ILE 17 1HG2 ILE 17 6.739 -4.742 -3.921 151 HG22 ILE 17 2HG2 ILE 17 5.101 -4.977 -3.311 152 HG23 ILE 17 3HG2 ILE 17 6.119 -6.373 -3.664 153 HD11 ILE 17 3HD1 ILE 17 9.100 -6.762 -2.409 154 HD12 ILE 17 1HD1 ILE 17 8.650 -6.675 -0.706 155 HD13 ILE 17 2HD1 ILE 17 10.025 -5.746 -1.303 156 H LYS 18 H LYS 18 4.124 -5.351 0.585 157 HA LYS 18 HA LYS 18 6.042 -5.791 2.746 158 HB2 LYS 18 2HB LYS 18 4.470 -3.560 2.794 159 HB3 LYS 18 1HB LYS 18 3.455 -4.709 3.656 160 HG2 LYS 18 2HG LYS 18 4.779 -3.511 5.242 161 HG3 LYS 18 1HG LYS 18 5.361 -5.176 5.171 162 HD2 LYS 18 2HD LYS 18 6.830 -3.768 3.239 163 HD3 LYS 18 1HD LYS 18 6.776 -2.722 4.660 164 HE2 LYS 18 2HE LYS 18 7.371 -5.595 5.093 165 HE3 LYS 18 1HE LYS 18 8.625 -4.611 4.340 166 HZ1 LYS 18 3HZ LYS 18 7.616 -4.564 7.059 167 HZ2 LYS 18 1HZ LYS 18 7.908 -3.046 6.371 168 HZ3 LYS 18 2HZ LYS 18 9.155 -4.184 6.467 169 H GLU 19 H GLU 19 5.874 -7.903 3.123 170 HA GLU 19 HA GLU 19 3.210 -9.140 3.055 171 HB2 GLU 19 2HB GLU 19 4.525 -11.297 2.799 172 HB3 GLU 19 1HB GLU 19 4.565 -10.200 1.428 173 HG2 GLU 19 2HG GLU 19 6.728 -9.863 3.391 174 HG3 GLU 19 1HG GLU 19 6.738 -11.375 2.485 175 H LEU 20 H LEU 20 2.447 -9.148 5.053 176 HA LEU 20 HA LEU 20 4.231 -9.892 7.266 177 HB2 LEU 20 2HB LEU 20 1.805 -8.189 7.051 178 HB3 LEU 20 1HB LEU 20 2.045 -9.062 8.552 179 HG LEU 20 HG LEU 20 2.952 -6.870 8.825 180 HD11 LEU 20 1HD1 LEU 20 5.120 -7.372 9.562 181 HD12 LEU 20 2HD1 LEU 20 5.351 -8.601 8.318 182 HD13 LEU 20 3HD1 LEU 20 4.244 -8.900 9.658 183 HD21 LEU 20 3HD2 LEU 20 3.401 -5.890 6.830 184 HD22 LEU 20 1HD2 LEU 20 4.052 -7.369 6.123 185 HD23 LEU 20 2HD2 LEU 20 5.038 -6.412 7.228 186 H VAL 21 H VAL 21 2.663 -10.855 9.147 187 HA VAL 21 HA VAL 21 2.109 -13.489 8.332 188 HB VAL 21 HB VAL 21 1.105 -13.790 10.570 189 HG11 VAL 21 1HG1 VAL 21 3.543 -12.163 11.065 190 HG12 VAL 21 2HG1 VAL 21 3.673 -13.559 9.995 191 HG13 VAL 21 3HG1 VAL 21 3.114 -13.769 11.655 192 HG21 VAL 21 3HG2 VAL 21 -0.028 -11.720 10.902 193 HG22 VAL 21 1HG2 VAL 21 1.470 -10.804 10.741 194 HG23 VAL 21 2HG2 VAL 21 1.218 -11.840 12.145 195 H ASP 22 H ASP 22 -0.053 -10.763 9.055 196 HA ASP 22 HA ASP 22 -2.185 -12.198 7.632 197 HB2 ASP 22 2HB ASP 22 -2.676 -10.391 10.003 198 HB3 ASP 22 1HB ASP 22 -3.820 -11.473 9.215 199 H ALA 23 H ALA 23 -3.941 -9.809 8.186 200 HA ALA 23 HA ALA 23 -2.738 -7.998 6.198 201 HB1 ALA 23 1HB ALA 23 -4.604 -9.160 5.231 202 HB2 ALA 23 2HB ALA 23 -5.061 -7.478 5.499 203 HB3 ALA 23 3HB ALA 23 -5.633 -8.733 6.598 204 H GLY 24 H GLY 24 -3.143 -8.105 9.358 205 HA2 GLY 24 2HA GLY 24 -4.492 -5.570 9.781 206 HA3 GLY 24 1HA GLY 24 -3.803 -6.608 11.023 207 H THR 25 H THR 25 -1.307 -6.805 10.788 208 HA THR 25 HA THR 25 -0.185 -4.319 11.356 209 HB THR 25 HB THR 25 1.577 -6.453 10.248 210 HG1 THR 25 1HG THR 25 0.125 -6.726 12.658 211 HG21 THR 25 3HG2 THR 25 2.242 -5.792 12.882 212 HG22 THR 25 1HG2 THR 25 1.832 -4.279 12.077 213 HG23 THR 25 2HG2 THR 25 3.079 -5.328 11.408 214 H ALA 26 H ALA 26 -0.195 -6.202 8.359 215 HA ALA 26 HA ALA 26 1.431 -4.452 6.860 216 HB1 ALA 26 1HB ALA 26 -0.356 -6.732 6.283 217 HB2 ALA 26 2HB ALA 26 1.297 -6.421 5.752 218 HB3 ALA 26 3HB ALA 26 -0.053 -5.619 4.949 219 H GLU 27 H GLU 27 -2.054 -4.617 7.445 220 HA GLU 27 HA GLU 27 -2.709 -2.574 5.546 221 HB2 GLU 27 2HB GLU 27 -4.422 -4.130 6.154 222 HB3 GLU 27 1HB GLU 27 -4.232 -3.766 7.864 223 HG2 GLU 27 2HG GLU 27 -4.855 -1.363 6.451 224 HG3 GLU 27 1HG GLU 27 -6.018 -2.615 6.023 225 H LYS 28 H LYS 28 -1.813 -2.623 8.916 226 HA LYS 28 HA LYS 28 -2.553 0.114 9.403 227 HB2 LYS 28 2HB LYS 28 -0.960 -1.884 11.012 228 HB3 LYS 28 1HB LYS 28 -1.304 -0.251 11.560 229 HG2 LYS 28 2HG LYS 28 -3.711 -0.731 11.423 230 HG3 LYS 28 1HG LYS 28 -3.334 -2.384 10.930 231 HD2 LYS 28 2HD LYS 28 -3.384 -2.881 13.112 232 HD3 LYS 28 1HD LYS 28 -1.831 -2.051 13.219 233 HE2 LYS 28 2HE LYS 28 -4.281 -0.386 13.357 234 HE3 LYS 28 1HE LYS 28 -3.914 -1.402 14.744 235 HZ1 LYS 28 3HZ LYS 28 -2.685 0.369 15.338 236 HZ2 LYS 28 1HZ LYS 28 -2.537 0.952 13.754 237 HZ3 LYS 28 2HZ LYS 28 -1.535 -0.300 14.290 238 H TYR 29 H TYR 29 0.559 -1.625 9.188 239 HA TYR 29 HA TYR 29 2.255 0.546 9.442 240 HB2 TYR 29 2HB TYR 29 2.536 -2.165 8.842 241 HB3 TYR 29 1HB TYR 29 3.246 -1.333 7.456 242 HD1 TYR 29 2HD TYR 29 5.160 0.210 7.796 243 HD2 TYR 29 1HD TYR 29 3.610 -2.162 10.971 244 HE1 TYR 29 2HE TYR 29 7.222 0.592 9.081 245 HE2 TYR 29 1HE TYR 29 5.667 -1.785 12.261 246 HH TYR 29 HH TYR 29 7.500 -0.228 12.397 247 H PHE 30 H PHE 30 0.775 -0.760 6.486 248 HA PHE 30 HA PHE 30 2.001 1.081 4.724 249 HB2 PHE 30 2HB PHE 30 -0.144 -0.930 4.572 250 HB3 PHE 30 1HB PHE 30 -0.329 0.417 3.450 251 HD1 PHE 30 2HD PHE 30 2.496 1.000 2.807 252 HD2 PHE 30 1HD PHE 30 0.457 -2.714 3.216 253 HE1 PHE 30 2HE PHE 30 4.111 -0.051 1.278 254 HE2 PHE 30 1HE PHE 30 2.067 -3.770 1.686 255 HZ PHE 30 HZ PHE 30 3.897 -2.438 0.714 256 H LYS 31 H LYS 31 -1.083 1.090 6.452 257 HA LYS 31 HA LYS 31 -2.121 3.445 5.306 258 HB2 LYS 31 2HB LYS 31 -2.735 1.730 7.616 259 HB3 LYS 31 1HB LYS 31 -3.205 3.412 7.822 260 HG2 LYS 31 2HG LYS 31 -4.210 3.033 5.397 261 HG3 LYS 31 1HG LYS 31 -4.252 1.361 5.961 262 HD2 LYS 31 2HD LYS 31 -5.362 2.355 8.077 263 HD3 LYS 31 1HD LYS 31 -5.664 3.766 7.060 264 HE2 LYS 31 2HE LYS 31 -7.159 2.664 5.734 265 HE3 LYS 31 1HE LYS 31 -6.385 1.098 5.975 266 HZ1 LYS 31 3HZ LYS 31 -8.403 0.975 7.119 267 HZ2 LYS 31 1HZ LYS 31 -8.238 2.520 7.790 268 HZ3 LYS 31 2HZ LYS 31 -7.257 1.254 8.333 269 H LEU 32 H LEU 32 0.191 2.871 7.839 270 HA LEU 32 HA LEU 32 0.107 5.443 9.031 271 HB2 LEU 32 2HB LEU 32 1.055 3.465 10.143 272 HB3 LEU 32 1HB LEU 32 2.349 3.422 8.955 273 HG LEU 32 HG LEU 32 2.116 5.987 10.351 274 HD11 LEU 32 1HD1 LEU 32 3.044 5.219 12.445 275 HD12 LEU 32 2HD1 LEU 32 2.962 3.546 11.900 276 HD13 LEU 32 3HD1 LEU 32 1.478 4.458 12.169 277 HD21 LEU 32 3HD2 LEU 32 4.343 6.059 10.004 278 HD22 LEU 32 1HD2 LEU 32 3.977 4.801 8.824 279 HD23 LEU 32 2HD2 LEU 32 4.572 4.362 10.426 280 H ILE 33 H ILE 33 2.570 3.995 6.890 281 HA ILE 33 HA ILE 33 4.006 6.335 6.410 282 HB ILE 33 HB ILE 33 4.848 4.097 5.843 283 HG12 ILE 33 2HG1 ILE 33 5.897 4.685 3.691 284 HG13 ILE 33 1HG1 ILE 33 4.715 5.971 3.470 285 HG21 ILE 33 1HG2 ILE 33 4.097 2.897 3.906 286 HG22 ILE 33 2HG2 ILE 33 2.975 4.191 3.486 287 HG23 ILE 33 3HG2 ILE 33 2.706 3.228 4.938 288 HD11 ILE 33 3HD1 ILE 33 6.293 6.023 5.965 289 HD12 ILE 33 1HD1 ILE 33 5.737 7.346 4.940 290 HD13 ILE 33 2HD1 ILE 33 7.142 6.391 4.464 291 H ALA 34 H ALA 34 1.311 4.919 4.580 292 HA ALA 34 HA ALA 34 1.274 6.740 2.462 293 HB1 ALA 34 1HB ALA 34 -1.067 6.043 2.144 294 HB2 ALA 34 2HB ALA 34 -1.020 5.231 3.708 295 HB3 ALA 34 3HB ALA 34 0.016 4.674 2.395 296 H ASN 35 H ASN 35 -0.463 6.822 5.564 297 HA ASN 35 HA ASN 35 -1.904 9.178 5.112 298 HB2 ASN 35 2HB ASN 35 -2.155 7.473 7.016 299 HB3 ASN 35 1HB ASN 35 -0.863 8.360 7.819 300 HD21 ASN 35 1HD2 ASN 35 -4.092 8.650 6.464 301 HD22 ASN 35 2HD2 ASN 35 -4.584 9.983 7.447 302 H ALA 36 H ALA 36 1.414 8.657 6.037 303 HA ALA 36 HA ALA 36 1.829 11.433 6.768 304 HB1 ALA 36 1HB ALA 36 3.052 9.868 8.063 305 HB2 ALA 36 2HB ALA 36 4.220 10.686 7.027 306 HB3 ALA 36 3HB ALA 36 3.673 9.059 6.624 307 H LYS 37 H LYS 37 2.286 9.347 4.017 308 HA LYS 37 HA LYS 37 4.045 11.152 2.627 309 HB2 LYS 37 2HB LYS 37 2.790 8.523 2.078 310 HB3 LYS 37 1HB LYS 37 3.175 9.512 0.675 311 HG2 LYS 37 2HG LYS 37 5.404 9.525 2.454 312 HG3 LYS 37 1HG LYS 37 4.893 7.859 2.180 313 HD2 LYS 37 2HD LYS 37 5.609 7.874 0.055 314 HD3 LYS 37 1HD LYS 37 4.935 9.475 -0.253 315 HE2 LYS 37 2HE LYS 37 7.355 9.500 -0.497 316 HE3 LYS 37 1HE LYS 37 6.856 10.496 0.869 317 HZ1 LYS 37 3HZ LYS 37 7.715 7.685 1.209 318 HZ2 LYS 37 1HZ LYS 37 7.593 8.895 2.387 319 HZ3 LYS 37 2HZ LYS 37 8.819 8.966 1.225 320 H THR 38 H THR 38 0.991 9.841 1.383 321 HA THR 38 HA THR 38 0.023 12.546 0.890 322 HB THR 38 HB THR 38 -0.655 11.693 -1.460 323 HG1 THR 38 1HG THR 38 0.733 10.138 -2.293 324 HG21 THR 38 3HG2 THR 38 1.874 12.037 -2.219 325 HG22 THR 38 1HG2 THR 38 1.978 12.692 -0.583 326 HG23 THR 38 2HG2 THR 38 0.828 13.369 -1.732 327 H VAL 39 H VAL 39 -2.086 12.738 1.305 328 HA VAL 39 HA VAL 39 -3.950 10.604 0.852 329 HB VAL 39 HB VAL 39 -4.770 10.673 3.273 330 HG11 VAL 39 1HG1 VAL 39 -3.520 8.795 2.100 331 HG12 VAL 39 2HG1 VAL 39 -3.471 8.802 3.863 332 HG13 VAL 39 3HG1 VAL 39 -2.081 9.373 2.939 333 HG21 VAL 39 3HG2 VAL 39 -2.032 11.878 3.596 334 HG22 VAL 39 1HG2 VAL 39 -2.874 11.060 4.912 335 HG23 VAL 39 2HG2 VAL 39 -3.576 12.494 4.176 336 H GLU 40 H GLU 40 -5.722 11.553 0.114 337 HA GLU 40 HA GLU 40 -7.119 13.584 1.441 338 HB2 GLU 40 2HB GLU 40 -5.010 14.769 0.385 339 HB3 GLU 40 1HB GLU 40 -5.971 14.693 -1.092 340 HG2 GLU 40 2HG GLU 40 -6.841 16.625 -0.432 341 HG3 GLU 40 1HG GLU 40 -7.755 15.674 0.741 342 H GLY 41 H GLY 41 -6.378 12.097 -1.674 343 HA2 GLY 41 2HA GLY 41 -8.945 12.639 -2.817 344 HA3 GLY 41 1HA GLY 41 -7.734 11.527 -3.450 345 H VAL 42 H VAL 42 -8.766 9.671 -3.789 346 HA VAL 42 HA VAL 42 -10.502 8.632 -1.650 347 HB VAL 42 HB VAL 42 -11.664 8.981 -3.785 348 HG11 VAL 42 1HG1 VAL 42 -11.110 7.593 -5.733 349 HG12 VAL 42 2HG1 VAL 42 -9.690 6.983 -4.882 350 HG13 VAL 42 3HG1 VAL 42 -9.795 8.682 -5.307 351 HG21 VAL 42 3HG2 VAL 42 -11.492 6.026 -3.610 352 HG22 VAL 42 1HG2 VAL 42 -12.897 7.084 -3.620 353 HG23 VAL 42 2HG2 VAL 42 -11.947 6.906 -2.151 354 H TRP 43 H TRP 43 -10.263 6.517 -0.948 355 HA TRP 43 HA TRP 43 -7.660 5.318 -1.558 356 HB2 TRP 43 2HB TRP 43 -9.516 5.212 0.786 357 HB3 TRP 43 1HB TRP 43 -8.407 3.865 0.514 358 HD1 TRP 43 HD TRP 43 -7.871 7.720 0.349 359 HE1 TRP 43 1HE TRP 43 -5.801 8.282 1.771 360 HE3 TRP 43 3HE TRP 43 -6.738 3.026 2.028 361 HZ2 TRP 43 2HZ TRP 43 -3.934 6.917 3.391 362 HZ3 TRP 43 3HZ TRP 43 -4.794 2.740 3.508 363 HH2 TRP 43 HH TRP 43 -3.422 4.646 4.174 364 H THR 44 H THR 44 -7.458 3.408 -2.559 365 HA THR 44 HA THR 44 -9.926 1.903 -3.141 366 HB THR 44 HB THR 44 -7.645 1.399 -4.913 367 HG1 THR 44 1HG THR 44 -8.889 3.944 -5.004 368 HG21 THR 44 3HG2 THR 44 -10.454 1.286 -5.044 369 HG22 THR 44 1HG2 THR 44 -9.279 0.816 -6.272 370 HG23 THR 44 2HG2 THR 44 -9.920 2.460 -6.248 371 H TYR 45 H TYR 45 -9.179 -0.454 -3.930 372 HA TYR 45 HA TYR 45 -6.982 -1.574 -2.474 373 HB2 TYR 45 2HB TYR 45 -8.723 -1.233 -0.690 374 HB3 TYR 45 1HB TYR 45 -9.755 -2.367 -1.566 375 HD1 TYR 45 2HD TYR 45 -9.104 -4.748 -1.737 376 HD2 TYR 45 1HD TYR 45 -6.891 -1.998 0.637 377 HE1 TYR 45 2HE TYR 45 -8.036 -6.628 -0.565 378 HE2 TYR 45 1HE TYR 45 -5.817 -3.868 1.815 379 HH TYR 45 HH TYR 45 -6.935 -6.964 1.757 380 H LYS 46 H LYS 46 -6.759 -3.887 -2.821 381 HA LYS 46 HA LYS 46 -8.400 -4.936 -5.020 382 HB2 LYS 46 2HB LYS 46 -6.074 -3.964 -5.682 383 HB3 LYS 46 1HB LYS 46 -5.442 -5.439 -4.948 384 HG2 LYS 46 2HG LYS 46 -6.176 -6.751 -6.629 385 HG3 LYS 46 1HG LYS 46 -7.632 -5.790 -6.894 386 HD2 LYS 46 2HD LYS 46 -5.155 -4.381 -7.552 387 HD3 LYS 46 1HD LYS 46 -5.428 -5.827 -8.526 388 HE2 LYS 46 2HE LYS 46 -7.869 -4.333 -8.265 389 HE3 LYS 46 1HE LYS 46 -6.578 -3.285 -8.854 390 HZ1 LYS 46 3HZ LYS 46 -6.757 -5.897 -10.110 391 HZ2 LYS 46 1HZ LYS 46 -6.457 -4.379 -10.798 392 HZ3 LYS 46 2HZ LYS 46 -8.042 -4.843 -10.432 393 H ASP 47 H ASP 47 -9.394 -6.644 -4.181 394 HA ASP 47 HA ASP 47 -8.369 -8.146 -1.991 395 HB2 ASP 47 2HB ASP 47 -10.327 -9.577 -2.316 396 HB3 ASP 47 1HB ASP 47 -10.777 -7.872 -2.350 397 H GLU 48 H GLU 48 -7.748 -8.259 -5.319 398 HA GLU 48 HA GLU 48 -7.463 -10.969 -5.850 399 HB2 GLU 48 2HB GLU 48 -7.299 -9.191 -7.550 400 HB3 GLU 48 1HB GLU 48 -5.750 -8.701 -6.879 401 HG2 GLU 48 2HG GLU 48 -5.199 -9.993 -8.731 402 HG3 GLU 48 1HG GLU 48 -4.978 -11.079 -7.359 403 H ILE 49 H ILE 49 -5.018 -8.695 -4.598 404 HA ILE 49 HA ILE 49 -3.672 -10.965 -3.328 405 HB ILE 49 HB ILE 49 -1.450 -9.868 -3.946 406 HG12 ILE 49 2HG1 ILE 49 -2.624 -7.789 -4.848 407 HG13 ILE 49 1HG1 ILE 49 -1.335 -8.456 -5.842 408 HG21 ILE 49 1HG2 ILE 49 -1.974 -11.993 -4.835 409 HG22 ILE 49 2HG2 ILE 49 -1.441 -11.008 -6.197 410 HG23 ILE 49 3HG2 ILE 49 -3.159 -11.316 -5.950 411 HD11 ILE 49 3HD1 ILE 49 -3.840 -9.622 -6.585 412 HD12 ILE 49 1HD1 ILE 49 -2.713 -8.673 -7.554 413 HD13 ILE 49 2HD1 ILE 49 -3.957 -7.862 -6.601 414 H LYS 50 H LYS 50 -5.353 -8.661 -2.437 415 HA LYS 50 HA LYS 50 -5.436 -7.128 -0.756 416 HB2 LYS 50 2HB LYS 50 -3.204 -8.931 0.146 417 HB3 LYS 50 1HB LYS 50 -3.722 -7.561 1.118 418 HG2 LYS 50 2HG LYS 50 -4.964 -9.257 2.027 419 HG3 LYS 50 1HG LYS 50 -6.090 -8.611 0.832 420 HD2 LYS 50 2HD LYS 50 -4.631 -10.484 -0.588 421 HD3 LYS 50 1HD LYS 50 -4.844 -11.234 0.994 422 HE2 LYS 50 2HE LYS 50 -7.333 -10.277 0.562 423 HE3 LYS 50 1HE LYS 50 -6.826 -10.606 -1.094 424 HZ1 LYS 50 3HZ LYS 50 -6.199 -12.875 -0.308 425 HZ2 LYS 50 1HZ LYS 50 -7.855 -12.550 -0.265 426 HZ3 LYS 50 2HZ LYS 50 -6.955 -12.523 1.164 427 H THR 51 H THR 51 -4.968 -5.236 -1.836 428 HA THR 51 HA THR 51 -2.332 -4.128 -1.284 429 HB THR 51 HB THR 51 -2.054 -3.297 -3.577 430 HG1 THR 51 1HG THR 51 -3.682 -3.357 -4.869 431 HG21 THR 51 3HG2 THR 51 -2.489 -6.269 -3.606 432 HG22 THR 51 1HG2 THR 51 -1.049 -5.467 -2.983 433 HG23 THR 51 2HG2 THR 51 -1.463 -5.330 -4.692 434 H PHE 52 H PHE 52 -2.588 -2.222 -0.381 435 HA PHE 52 HA PHE 52 -5.102 -0.779 -0.699 436 HB2 PHE 52 2HB PHE 52 -3.125 -1.027 1.376 437 HB3 PHE 52 1HB PHE 52 -3.310 0.672 0.958 438 HD1 PHE 52 2HD PHE 52 -6.207 0.684 0.235 439 HD2 PHE 52 1HD PHE 52 -4.131 -1.129 3.481 440 HE1 PHE 52 2HE PHE 52 -8.250 0.798 1.601 441 HE2 PHE 52 1HE PHE 52 -6.171 -1.017 4.850 442 HZ PHE 52 HZ PHE 52 -8.233 -0.052 3.912 443 H THR 53 H THR 53 -5.244 1.320 -1.568 444 HA THR 53 HA THR 53 -2.788 2.455 -2.680 445 HB THR 53 HB THR 53 -4.193 2.918 -4.819 446 HG1 THR 53 1HG THR 53 -6.106 1.950 -3.770 447 HG21 THR 53 3HG2 THR 53 -3.346 0.071 -4.384 448 HG22 THR 53 1HG2 THR 53 -2.212 1.390 -4.668 449 HG23 THR 53 2HG2 THR 53 -3.403 0.972 -5.899 450 H VAL 54 H VAL 54 -2.763 4.647 -2.890 451 HA VAL 54 HA VAL 54 -5.179 6.081 -2.001 452 HB VAL 54 HB VAL 54 -2.322 6.860 -1.398 453 HG11 VAL 54 1HG1 VAL 54 -4.525 8.477 -1.541 454 HG12 VAL 54 2HG1 VAL 54 -3.083 8.801 -0.577 455 HG13 VAL 54 3HG1 VAL 54 -4.490 8.041 0.169 456 HG21 VAL 54 3HG2 VAL 54 -2.726 4.977 -0.063 457 HG22 VAL 54 1HG2 VAL 54 -4.397 5.446 0.246 458 HG23 VAL 54 2HG2 VAL 54 -3.076 6.348 0.989 459 H THR 55 H THR 55 -5.926 6.825 -3.905 460 HA THR 55 HA THR 55 -4.085 8.164 -5.744 461 HB THR 55 HB THR 55 -6.965 7.330 -6.136 462 HG1 THR 55 1HG THR 55 -4.563 6.173 -7.099 463 HG21 THR 55 3HG2 THR 55 -6.261 7.545 -8.592 464 HG22 THR 55 1HG2 THR 55 -4.983 8.594 -7.980 465 HG23 THR 55 2HG2 THR 55 -6.673 9.002 -7.701 466 H GLU 56 H GLU 56 -4.863 10.182 -6.783 467 HA GLU 56 HA GLU 56 -6.421 11.822 -4.897 468 HB2 GLU 56 2HB GLU 56 -3.976 12.356 -4.944 469 HB3 GLU 56 1HB GLU 56 -4.146 12.780 -6.642 470 HG2 GLU 56 2HG GLU 56 -5.372 14.682 -6.183 471 HG3 GLU 56 1HG GLU 56 -5.864 14.100 -4.591 Start of MODEL 5 1 H1 THR 1 1HT THR 1 1.501 -11.251 5.638 2 H2 THR 1 2HT THR 1 2.391 -12.585 5.028 3 H3 THR 1 3HT THR 1 0.834 -12.828 5.706 4 HA THR 1 HA THR 1 0.989 -12.866 3.244 5 HB THR 1 HB THR 1 -0.824 -10.863 4.611 6 HG1 THR 1 1HG THR 1 -2.197 -12.668 4.836 7 HG21 THR 1 3HG2 THR 1 -2.258 -12.236 2.673 8 HG22 THR 1 1HG2 THR 1 -0.746 -11.783 1.884 9 HG23 THR 1 2HG2 THR 1 -1.757 -10.546 2.632 10 H THR 2 H THR 2 1.622 -11.850 1.429 11 HA THR 2 HA THR 2 3.195 -9.484 1.613 12 HB THR 2 HB THR 2 3.352 -9.684 -0.858 13 HG1 THR 2 1HG THR 2 1.331 -10.499 -1.344 14 HG21 THR 2 3HG2 THR 2 3.824 -12.431 -0.489 15 HG22 THR 2 1HG2 THR 2 4.227 -11.628 1.029 16 HG23 THR 2 2HG2 THR 2 4.992 -11.109 -0.473 17 H TYR 3 H TYR 3 2.644 -7.414 1.343 18 HA TYR 3 HA TYR 3 -0.029 -6.830 0.243 19 HB2 TYR 3 2HB TYR 3 1.209 -6.012 2.783 20 HB3 TYR 3 1HB TYR 3 0.481 -4.691 1.878 21 HD1 TYR 3 1HD TYR 3 -0.241 -8.058 3.288 22 HD2 TYR 3 2HD TYR 3 -1.836 -4.355 1.925 23 HE1 TYR 3 1HE TYR 3 -2.456 -8.707 4.131 24 HE2 TYR 3 2HE TYR 3 -4.056 -4.994 2.767 25 HH TYR 3 HH TYR 3 -4.907 -6.632 4.653 26 H LYS 4 H LYS 4 -0.043 -5.526 -1.469 27 HA LYS 4 HA LYS 4 2.423 -4.090 -2.146 28 HB2 LYS 4 2HB LYS 4 1.177 -5.725 -3.742 29 HB3 LYS 4 1HB LYS 4 0.070 -4.380 -3.985 30 HG2 LYS 4 2HG LYS 4 2.685 -3.359 -4.267 31 HG3 LYS 4 1HG LYS 4 2.602 -4.859 -5.193 32 HD2 LYS 4 2HD LYS 4 0.298 -3.038 -5.474 33 HD3 LYS 4 1HD LYS 4 1.823 -2.461 -6.149 34 HE2 LYS 4 2HE LYS 4 1.739 -3.914 -7.847 35 HE3 LYS 4 1HE LYS 4 1.274 -5.249 -6.792 36 HZ1 LYS 4 3HZ LYS 4 -0.991 -4.600 -6.918 37 HZ2 LYS 4 1HZ LYS 4 -0.403 -4.633 -8.505 38 HZ3 LYS 4 2HZ LYS 4 -0.615 -3.154 -7.710 39 H LEU 5 H LEU 5 2.337 -1.895 -2.883 40 HA LEU 5 HA LEU 5 -0.091 -0.436 -2.110 41 HB2 LEU 5 2HB LEU 5 2.417 -0.361 -0.765 42 HB3 LEU 5 1HB LEU 5 2.171 1.192 -1.543 43 HG LEU 5 HG LEU 5 0.206 -0.112 0.343 44 HD11 LEU 5 1HD1 LEU 5 1.763 2.345 0.987 45 HD12 LEU 5 2HD1 LEU 5 2.514 0.764 1.204 46 HD13 LEU 5 3HD1 LEU 5 1.029 1.161 2.067 47 HD21 LEU 5 3HD2 LEU 5 -1.238 1.512 -0.156 48 HD22 LEU 5 1HD2 LEU 5 -0.238 1.821 -1.576 49 HD23 LEU 5 2HD2 LEU 5 0.013 2.753 -0.100 50 H ILE 6 H ILE 6 -0.672 1.202 -3.412 51 HA ILE 6 HA ILE 6 1.238 2.223 -5.361 52 HB ILE 6 HB ILE 6 -1.435 1.826 -6.516 53 HG12 ILE 6 2HG1 ILE 6 0.397 -0.558 -6.164 54 HG13 ILE 6 1HG1 ILE 6 -1.106 -0.318 -5.278 55 HG21 ILE 6 1HG2 ILE 6 0.119 0.997 -8.408 56 HG22 ILE 6 2HG2 ILE 6 1.414 1.646 -7.402 57 HG23 ILE 6 3HG2 ILE 6 0.126 2.707 -7.975 58 HD11 ILE 6 3HD1 ILE 6 -2.022 -0.080 -7.782 59 HD12 ILE 6 1HD1 ILE 6 -1.925 -1.616 -6.920 60 HD13 ILE 6 2HD1 ILE 6 -0.658 -1.165 -8.060 61 H LEU 7 H LEU 7 1.308 4.300 -4.730 62 HA LEU 7 HA LEU 7 -1.223 5.647 -4.111 63 HB2 LEU 7 2HB LEU 7 1.617 6.435 -3.481 64 HB3 LEU 7 1HB LEU 7 0.199 7.391 -3.070 65 HG LEU 7 HG LEU 7 -0.587 5.335 -1.750 66 HD11 LEU 7 1HD1 LEU 7 1.401 3.996 -0.902 67 HD12 LEU 7 2HD1 LEU 7 2.274 4.608 -2.306 68 HD13 LEU 7 3HD1 LEU 7 0.825 3.627 -2.528 69 HD21 LEU 7 3HD2 LEU 7 1.895 6.746 -0.784 70 HD22 LEU 7 1HD2 LEU 7 0.618 6.033 0.203 71 HD23 LEU 7 2HD2 LEU 7 0.279 7.455 -0.784 72 H ASN 8 H ASN 8 -1.975 7.349 -5.246 73 HA ASN 8 HA ASN 8 -0.286 8.324 -7.460 74 HB2 ASN 8 2HB ASN 8 -2.131 6.907 -8.283 75 HB3 ASN 8 1HB ASN 8 -3.292 7.961 -7.475 76 HD21 ASN 8 1HD2 ASN 8 -0.909 7.759 -10.033 77 HD22 ASN 8 2HD2 ASN 8 -1.520 9.078 -10.965 78 H LEU 9 H LEU 9 0.280 10.366 -7.143 79 HA LEU 9 HA LEU 9 -1.716 12.213 -6.022 80 HB2 LEU 9 2HB LEU 9 0.397 13.371 -4.997 81 HB3 LEU 9 1HB LEU 9 -0.397 12.047 -4.159 82 HG LEU 9 HG LEU 9 1.954 11.562 -5.968 83 HD11 LEU 9 1HD1 LEU 9 3.368 11.638 -3.936 84 HD12 LEU 9 2HD1 LEU 9 2.007 12.332 -3.056 85 HD13 LEU 9 3HD1 LEU 9 2.729 13.212 -4.404 86 HD21 LEU 9 3HD2 LEU 9 2.124 9.755 -4.014 87 HD22 LEU 9 1HD2 LEU 9 1.147 9.504 -5.462 88 HD23 LEU 9 2HD2 LEU 9 0.385 10.046 -3.967 89 H LYS 10 H LYS 10 1.341 11.920 -7.806 90 HA LYS 10 HA LYS 10 0.498 14.212 -9.437 91 HB2 LYS 10 2HB LYS 10 3.188 13.774 -8.154 92 HB3 LYS 10 1HB LYS 10 2.976 14.838 -9.540 93 HG2 LYS 10 2HG LYS 10 2.658 16.427 -8.003 94 HG3 LYS 10 1HG LYS 10 1.035 15.743 -7.872 95 HD2 LYS 10 2HD LYS 10 2.032 14.181 -6.111 96 HD3 LYS 10 1HD LYS 10 3.413 15.276 -6.095 97 HE2 LYS 10 2HE LYS 10 1.522 17.096 -5.812 98 HE3 LYS 10 1HE LYS 10 0.610 15.726 -5.186 99 HZ1 LYS 10 3HZ LYS 10 3.321 16.291 -4.179 100 HZ2 LYS 10 1HZ LYS 10 2.055 15.460 -3.420 101 HZ3 LYS 10 2HZ LYS 10 1.996 17.149 -3.573 102 H GLN 11 H GLN 11 -0.194 12.494 -10.885 103 HA GLN 11 HA GLN 11 0.030 11.244 -12.765 104 HB2 GLN 11 2HB GLN 11 2.154 13.163 -12.846 105 HB3 GLN 11 1HB GLN 11 2.732 11.650 -13.524 106 HG2 GLN 11 2HG GLN 11 1.281 11.715 -15.285 107 HG3 GLN 11 1HG GLN 11 0.090 12.669 -14.408 108 HE21 GLN 11 1HE2 GLN 11 3.077 12.747 -16.203 109 HE22 GLN 11 2HE2 GLN 11 3.070 14.450 -16.525 110 H ALA 12 H ALA 12 3.429 11.050 -11.770 111 HA ALA 12 HA ALA 12 3.514 8.237 -12.056 112 HB1 ALA 12 1HB ALA 12 5.368 10.337 -11.124 113 HB2 ALA 12 2HB ALA 12 5.613 9.052 -12.300 114 HB3 ALA 12 3HB ALA 12 5.695 8.701 -10.574 115 H LYS 13 H LYS 13 2.587 6.802 -10.757 116 HA LYS 13 HA LYS 13 1.840 7.499 -8.061 117 HB2 LYS 13 2HB LYS 13 0.753 5.320 -8.006 118 HB3 LYS 13 1HB LYS 13 0.337 6.171 -9.486 119 HG2 LYS 13 2HG LYS 13 2.619 4.654 -10.081 120 HG3 LYS 13 1HG LYS 13 1.556 3.602 -9.144 121 HD2 LYS 13 2HD LYS 13 0.504 3.220 -11.082 122 HD3 LYS 13 1HD LYS 13 -0.186 4.831 -10.875 123 HE2 LYS 13 2HE LYS 13 2.338 5.254 -11.991 124 HE3 LYS 13 1HE LYS 13 1.679 3.866 -12.856 125 HZ1 LYS 13 3HZ LYS 13 1.161 6.353 -13.554 126 HZ2 LYS 13 1HZ LYS 13 -0.106 6.135 -12.453 127 HZ3 LYS 13 2HZ LYS 13 0.047 5.101 -13.783 128 H GLU 14 H GLU 14 2.306 5.996 -6.233 129 HA GLU 14 HA GLU 14 5.158 5.369 -6.229 130 HB2 GLU 14 2HB GLU 14 3.204 5.306 -3.922 131 HB3 GLU 14 1HB GLU 14 4.966 5.266 -3.821 132 HG2 GLU 14 2HG GLU 14 3.621 7.581 -5.132 133 HG3 GLU 14 1HG GLU 14 3.660 7.475 -3.373 134 H GLU 15 H GLU 15 5.912 3.351 -5.244 135 HA GLU 15 HA GLU 15 4.009 1.139 -5.303 136 HB2 GLU 15 2HB GLU 15 6.179 1.587 -7.255 137 HB3 GLU 15 1HB GLU 15 6.084 -0.040 -6.595 138 HG2 GLU 15 2HG GLU 15 4.003 -0.435 -7.509 139 HG3 GLU 15 1HG GLU 15 3.628 1.282 -7.658 140 H ALA 16 H ALA 16 4.464 -0.458 -3.867 141 HA ALA 16 HA ALA 16 7.057 -0.968 -2.827 142 HB1 ALA 16 1HB ALA 16 5.203 0.330 -0.849 143 HB2 ALA 16 2HB ALA 16 6.452 1.221 -1.719 144 HB3 ALA 16 3HB ALA 16 6.900 -0.098 -0.638 145 H ILE 17 H ILE 17 7.139 -2.907 -1.796 146 HA ILE 17 HA ILE 17 4.563 -4.272 -1.350 147 HB ILE 17 HB ILE 17 7.202 -5.608 -1.942 148 HG12 ILE 17 2HG1 ILE 17 5.531 -5.985 -4.134 149 HG13 ILE 17 1HG1 ILE 17 5.316 -4.285 -3.728 150 HG21 ILE 17 1HG2 ILE 17 5.284 -7.347 -2.685 151 HG22 ILE 17 2HG2 ILE 17 4.465 -6.521 -1.359 152 HG23 ILE 17 3HG2 ILE 17 6.015 -7.317 -1.080 153 HD11 ILE 17 3HD1 ILE 17 7.948 -4.334 -3.640 154 HD12 ILE 17 1HD1 ILE 17 7.072 -4.133 -5.158 155 HD13 ILE 17 2HD1 ILE 17 7.717 -5.714 -4.714 156 H LYS 18 H LYS 18 4.174 -5.206 0.590 157 HA LYS 18 HA LYS 18 6.360 -5.513 2.498 158 HB2 LYS 18 2HB LYS 18 4.796 -3.283 2.612 159 HB3 LYS 18 1HB LYS 18 3.919 -4.370 3.681 160 HG2 LYS 18 2HG LYS 18 5.420 -3.111 5.014 161 HG3 LYS 18 1HG LYS 18 6.065 -4.751 4.907 162 HD2 LYS 18 2HD LYS 18 7.988 -3.699 4.385 163 HD3 LYS 18 1HD LYS 18 7.269 -3.589 2.776 164 HE2 LYS 18 2HE LYS 18 6.348 -1.374 3.391 165 HE3 LYS 18 1HE LYS 18 7.186 -1.486 4.937 166 HZ1 LYS 18 3HZ LYS 18 8.438 -0.180 3.335 167 HZ2 LYS 18 1HZ LYS 18 8.489 -1.493 2.268 168 HZ3 LYS 18 2HZ LYS 18 9.287 -1.580 3.756 169 H GLU 19 H GLU 19 6.267 -7.537 3.157 170 HA GLU 19 HA GLU 19 3.657 -8.850 3.407 171 HB2 GLU 19 2HB GLU 19 4.954 -10.980 3.284 172 HB3 GLU 19 1HB GLU 19 5.075 -9.996 1.832 173 HG2 GLU 19 2HG GLU 19 7.277 -9.874 2.002 174 HG3 GLU 19 1HG GLU 19 7.183 -9.349 3.683 175 H LEU 20 H LEU 20 2.988 -8.622 5.430 176 HA LEU 20 HA LEU 20 4.903 -8.912 7.629 177 HB2 LEU 20 2HB LEU 20 2.610 -7.267 7.187 178 HB3 LEU 20 1HB LEU 20 2.313 -8.267 8.595 179 HG LEU 20 HG LEU 20 4.654 -7.453 9.374 180 HD11 LEU 20 1HD1 LEU 20 5.614 -6.290 7.670 181 HD12 LEU 20 2HD1 LEU 20 4.793 -4.962 8.493 182 HD13 LEU 20 3HD1 LEU 20 4.071 -5.692 7.058 183 HD21 LEU 20 3HD2 LEU 20 3.125 -6.641 10.801 184 HD22 LEU 20 1HD2 LEU 20 2.004 -6.210 9.510 185 HD23 LEU 20 2HD2 LEU 20 3.340 -5.133 9.912 186 H VAL 21 H VAL 21 3.221 -9.690 9.665 187 HA VAL 21 HA VAL 21 3.230 -12.477 9.417 188 HB VAL 21 HB VAL 21 1.914 -12.503 11.517 189 HG11 VAL 21 1HG1 VAL 21 4.292 -10.671 11.335 190 HG12 VAL 21 2HG1 VAL 21 4.261 -12.381 11.764 191 HG13 VAL 21 3HG1 VAL 21 3.591 -11.182 12.870 192 HG21 VAL 21 3HG2 VAL 21 0.429 -10.763 11.533 193 HG22 VAL 21 1HG2 VAL 21 1.579 -9.630 10.819 194 HG23 VAL 21 2HG2 VAL 21 1.716 -10.071 12.521 195 H ASP 22 H ASP 22 0.512 -10.178 9.244 196 HA ASP 22 HA ASP 22 -0.980 -12.163 7.718 197 HB2 ASP 22 2HB ASP 22 -1.504 -11.944 10.355 198 HB3 ASP 22 1HB ASP 22 -2.559 -10.675 9.744 199 H ALA 23 H ALA 23 -3.403 -10.443 7.977 200 HA ALA 23 HA ALA 23 -2.569 -8.377 6.066 201 HB1 ALA 23 1HB ALA 23 -4.947 -10.101 6.306 202 HB2 ALA 23 2HB ALA 23 -4.131 -9.479 4.873 203 HB3 ALA 23 3HB ALA 23 -5.239 -8.446 5.773 204 H GLY 24 H GLY 24 -3.336 -8.637 9.272 205 HA2 GLY 24 2HA GLY 24 -4.969 -6.248 9.470 206 HA3 GLY 24 1HA GLY 24 -4.376 -7.224 10.808 207 H THR 25 H THR 25 -1.872 -7.175 10.960 208 HA THR 25 HA THR 25 -1.100 -4.567 11.624 209 HB THR 25 HB THR 25 1.253 -5.592 11.656 210 HG1 THR 25 1HG THR 25 1.461 -7.673 11.189 211 HG21 THR 25 3HG2 THR 25 -1.017 -6.694 13.259 212 HG22 THR 25 1HG2 THR 25 0.232 -5.546 13.731 213 HG23 THR 25 2HG2 THR 25 0.641 -7.246 13.499 214 H ALA 26 H ALA 26 -0.477 -6.526 8.750 215 HA ALA 26 HA ALA 26 1.277 -4.717 7.480 216 HB1 ALA 26 1HB ALA 26 1.318 -6.213 5.784 217 HB2 ALA 26 2HB ALA 26 -0.433 -6.419 5.779 218 HB3 ALA 26 3HB ALA 26 0.549 -7.254 6.982 219 H GLU 27 H GLU 27 -2.239 -5.083 7.495 220 HA GLU 27 HA GLU 27 -2.698 -3.186 5.407 221 HB2 GLU 27 2HB GLU 27 -4.404 -4.812 5.913 222 HB3 GLU 27 1HB GLU 27 -4.513 -4.252 7.576 223 HG2 GLU 27 2HG GLU 27 -5.264 -2.029 6.637 224 HG3 GLU 27 1HG GLU 27 -5.410 -2.845 5.081 225 H LYS 28 H LYS 28 -2.345 -2.989 8.879 226 HA LYS 28 HA LYS 28 -3.216 -0.254 9.052 227 HB2 LYS 28 2HB LYS 28 -1.927 -2.169 10.980 228 HB3 LYS 28 1HB LYS 28 -2.144 -0.473 11.388 229 HG2 LYS 28 2HG LYS 28 -4.624 -1.346 10.423 230 HG3 LYS 28 1HG LYS 28 -4.034 -2.630 11.477 231 HD2 LYS 28 2HD LYS 28 -4.244 -1.364 13.331 232 HD3 LYS 28 1HD LYS 28 -3.678 0.097 12.521 233 HE2 LYS 28 2HE LYS 28 -5.762 0.765 11.991 234 HE3 LYS 28 1HE LYS 28 -6.307 -0.873 11.635 235 HZ1 LYS 28 3HZ LYS 28 -5.782 -0.289 14.431 236 HZ2 LYS 28 1HZ LYS 28 -7.035 -1.180 13.730 237 HZ3 LYS 28 2HZ LYS 28 -7.111 0.507 13.753 238 H TYR 29 H TYR 29 -0.087 -1.934 9.221 239 HA TYR 29 HA TYR 29 1.552 0.270 9.634 240 HB2 TYR 29 2HB TYR 29 1.981 -2.394 9.330 241 HB3 TYR 29 1HB TYR 29 2.613 -1.790 7.796 242 HD1 TYR 29 1HD TYR 29 4.016 0.573 8.289 243 HD2 TYR 29 2HD TYR 29 3.632 -2.779 10.880 244 HE1 TYR 29 1HE TYR 29 6.118 1.199 9.399 245 HE2 TYR 29 2HE TYR 29 5.733 -2.162 12.000 246 HH TYR 29 HH TYR 29 7.735 -0.888 11.586 247 H PHE 30 H PHE 30 0.371 -1.118 6.596 248 HA PHE 30 HA PHE 30 1.760 0.686 4.904 249 HB2 PHE 30 2HB PHE 30 -0.127 -1.494 4.617 250 HB3 PHE 30 1HB PHE 30 -0.556 -0.163 3.549 251 HD1 PHE 30 1HD PHE 30 2.951 -0.165 4.090 252 HD2 PHE 30 2HD PHE 30 -0.136 -2.123 1.906 253 HE1 PHE 30 1HE PHE 30 4.606 -0.939 2.450 254 HE2 PHE 30 2HE PHE 30 1.519 -2.905 0.266 255 HZ PHE 30 HZ PHE 30 3.893 -2.311 0.534 256 H LYS 31 H LYS 31 -1.374 0.743 6.472 257 HA LYS 31 HA LYS 31 -2.426 2.961 5.063 258 HB2 LYS 31 2HB LYS 31 -3.758 1.333 6.432 259 HB3 LYS 31 1HB LYS 31 -3.104 2.094 7.877 260 HG2 LYS 31 2HG LYS 31 -4.442 3.828 5.874 261 HG3 LYS 31 1HG LYS 31 -5.446 2.777 6.876 262 HD2 LYS 31 2HD LYS 31 -3.368 4.263 8.329 263 HD3 LYS 31 1HD LYS 31 -4.620 5.264 7.594 264 HE2 LYS 31 2HE LYS 31 -6.136 4.638 9.101 265 HE3 LYS 31 1HE LYS 31 -5.726 2.934 8.921 266 HZ1 LYS 31 3HZ LYS 31 -3.842 3.280 10.410 267 HZ2 LYS 31 1HZ LYS 31 -5.306 3.675 11.166 268 HZ3 LYS 31 2HZ LYS 31 -4.282 4.902 10.612 269 H LEU 32 H LEU 32 -0.289 2.643 7.796 270 HA LEU 32 HA LEU 32 -0.518 5.355 8.676 271 HB2 LEU 32 2HB LEU 32 0.929 2.963 9.460 272 HB3 LEU 32 1HB LEU 32 1.946 4.392 9.554 273 HG LEU 32 HG LEU 32 -0.194 5.352 10.829 274 HD11 LEU 32 1HD1 LEU 32 -0.306 2.372 11.242 275 HD12 LEU 32 2HD1 LEU 32 -1.584 3.423 10.632 276 HD13 LEU 32 3HD1 LEU 32 -1.068 3.548 12.316 277 HD21 LEU 32 3HD2 LEU 32 2.135 3.754 11.800 278 HD22 LEU 32 1HD2 LEU 32 0.935 4.360 12.952 279 HD23 LEU 32 2HD2 LEU 32 1.829 5.487 11.926 280 H ILE 33 H ILE 33 2.059 3.566 6.977 281 HA ILE 33 HA ILE 33 3.745 5.726 6.487 282 HB ILE 33 HB ILE 33 4.419 3.397 6.123 283 HG12 ILE 33 2HG1 ILE 33 5.714 3.742 4.078 284 HG13 ILE 33 1HG1 ILE 33 4.643 5.055 3.600 285 HG21 ILE 33 1HG2 ILE 33 2.298 2.634 5.112 286 HG22 ILE 33 2HG2 ILE 33 3.718 2.148 4.186 287 HG23 ILE 33 3HG2 ILE 33 2.724 3.496 3.634 288 HD11 ILE 33 3HD1 ILE 33 7.006 5.289 4.989 289 HD12 ILE 33 1HD1 ILE 33 5.771 5.466 6.236 290 HD13 ILE 33 2HD1 ILE 33 5.760 6.527 4.827 291 H ALA 34 H ALA 34 1.072 4.464 4.525 292 HA ALA 34 HA ALA 34 1.405 6.196 2.333 293 HB1 ALA 34 1HB ALA 34 -0.744 5.492 1.620 294 HB2 ALA 34 2HB ALA 34 -1.221 5.054 3.260 295 HB3 ALA 34 3HB ALA 34 -0.000 4.104 2.414 296 H ASN 35 H ASN 35 -0.247 6.566 5.405 297 HA ASN 35 HA ASN 35 -1.702 8.904 4.749 298 HB2 ASN 35 2HB ASN 35 -1.795 7.226 6.832 299 HB3 ASN 35 1HB ASN 35 -0.797 8.485 7.552 300 HD21 ASN 35 1HD2 ASN 35 -3.797 8.040 5.727 301 HD22 ASN 35 2HD2 ASN 35 -4.674 9.297 6.526 302 H ALA 36 H ALA 36 1.448 8.389 6.295 303 HA ALA 36 HA ALA 36 1.985 11.140 6.740 304 HB1 ALA 36 1HB ALA 36 4.187 9.155 6.406 305 HB2 ALA 36 2HB ALA 36 3.075 8.992 7.766 306 HB3 ALA 36 3HB ALA 36 4.021 10.469 7.571 307 H LYS 37 H LYS 37 2.484 8.978 4.044 308 HA LYS 37 HA LYS 37 4.344 10.587 2.630 309 HB2 LYS 37 2HB LYS 37 2.515 8.333 1.854 310 HB3 LYS 37 1HB LYS 37 3.439 9.201 0.635 311 HG2 LYS 37 2HG LYS 37 5.494 8.504 1.547 312 HG3 LYS 37 1HG LYS 37 4.731 7.947 3.038 313 HD2 LYS 37 2HD LYS 37 3.876 6.042 2.043 314 HD3 LYS 37 1HD LYS 37 3.938 6.739 0.422 315 HE2 LYS 37 2HE LYS 37 6.342 6.548 0.384 316 HE3 LYS 37 1HE LYS 37 6.359 5.996 2.059 317 HZ1 LYS 37 3HZ LYS 37 4.765 4.176 1.029 318 HZ2 LYS 37 1HZ LYS 37 6.449 4.004 1.016 319 HZ3 LYS 37 2HZ LYS 37 5.643 4.545 -0.370 320 H THR 38 H THR 38 1.064 9.840 1.490 321 HA THR 38 HA THR 38 0.374 12.620 1.252 322 HB THR 38 HB THR 38 0.163 11.281 -1.365 323 HG1 THR 38 1HG THR 38 2.689 12.169 -0.438 324 HG21 THR 38 3HG2 THR 38 -0.157 13.377 -1.954 325 HG22 THR 38 1HG2 THR 38 1.533 13.704 -1.568 326 HG23 THR 38 2HG2 THR 38 0.288 13.938 -0.342 327 H VAL 39 H VAL 39 -1.695 12.721 1.796 328 HA VAL 39 HA VAL 39 -3.589 10.807 0.686 329 HB VAL 39 HB VAL 39 -4.654 10.558 2.991 330 HG11 VAL 39 1HG1 VAL 39 -1.968 9.264 2.541 331 HG12 VAL 39 2HG1 VAL 39 -3.488 8.747 1.810 332 HG13 VAL 39 3HG1 VAL 39 -3.270 8.648 3.557 333 HG21 VAL 39 3HG2 VAL 39 -1.956 11.639 3.764 334 HG22 VAL 39 1HG2 VAL 39 -2.932 10.656 4.856 335 HG23 VAL 39 2HG2 VAL 39 -3.548 12.195 4.273 336 H GLU 40 H GLU 40 -4.610 12.406 -0.438 337 HA GLU 40 HA GLU 40 -6.318 14.162 1.122 338 HB2 GLU 40 2HB GLU 40 -3.989 15.259 0.399 339 HB3 GLU 40 1HB GLU 40 -4.886 15.527 -1.097 340 HG2 GLU 40 2HG GLU 40 -6.388 16.954 -0.097 341 HG3 GLU 40 1HG GLU 40 -6.101 16.309 1.514 342 H GLY 41 H GLY 41 -6.503 11.852 -0.784 343 HA2 GLY 41 2HA GLY 41 -8.464 13.104 -2.593 344 HA3 GLY 41 1HA GLY 41 -7.285 11.962 -3.232 345 H VAL 42 H VAL 42 -8.372 10.176 -3.737 346 HA VAL 42 HA VAL 42 -10.407 9.179 -1.863 347 HB VAL 42 HB VAL 42 -11.164 9.526 -4.180 348 HG11 VAL 42 1HG1 VAL 42 -10.329 8.150 -5.992 349 HG12 VAL 42 2HG1 VAL 42 -9.174 7.382 -4.906 350 HG13 VAL 42 3HG1 VAL 42 -9.011 9.088 -5.290 351 HG21 VAL 42 3HG2 VAL 42 -11.679 6.888 -4.507 352 HG22 VAL 42 1HG2 VAL 42 -12.545 7.939 -3.385 353 HG23 VAL 42 2HG2 VAL 42 -11.220 6.931 -2.805 354 H TRP 43 H TRP 43 -10.233 7.222 -0.903 355 HA TRP 43 HA TRP 43 -7.668 5.845 -1.206 356 HB2 TRP 43 2HB TRP 43 -9.610 6.201 0.996 357 HB3 TRP 43 1HB TRP 43 -8.841 4.614 0.909 358 HD1 TRP 43 HD TRP 43 -7.711 8.337 0.937 359 HE1 TRP 43 1HE TRP 43 -5.511 8.479 2.265 360 HE3 TRP 43 3HE TRP 43 -7.053 3.369 1.951 361 HZ2 TRP 43 2HZ TRP 43 -3.731 6.718 3.569 362 HZ3 TRP 43 3HZ TRP 43 -5.074 2.681 3.244 363 HH2 TRP 43 HH TRP 43 -3.449 4.323 4.035 364 H THR 44 H THR 44 -7.557 4.051 -2.368 365 HA THR 44 HA THR 44 -10.010 2.461 -2.740 366 HB THR 44 HB THR 44 -7.648 2.550 -4.619 367 HG1 THR 44 1HG THR 44 -8.779 4.025 -5.814 368 HG21 THR 44 3HG2 THR 44 -8.986 0.597 -4.961 369 HG22 THR 44 1HG2 THR 44 -9.297 1.738 -6.268 370 HG23 THR 44 2HG2 THR 44 -10.465 1.558 -4.960 371 H TYR 45 H TYR 45 -9.803 0.174 -2.817 372 HA TYR 45 HA TYR 45 -7.270 -0.977 -1.950 373 HB2 TYR 45 2HB TYR 45 -8.410 -0.431 0.148 374 HB3 TYR 45 1HB TYR 45 -9.843 -1.313 -0.389 375 HD1 TYR 45 2HD TYR 45 -6.329 -1.666 0.689 376 HD2 TYR 45 1HD TYR 45 -9.963 -3.687 -0.208 377 HE1 TYR 45 2HE TYR 45 -5.424 -3.723 1.687 378 HE2 TYR 45 1HE TYR 45 -9.069 -5.750 0.787 379 HH TYR 45 HH TYR 45 -6.181 -5.796 2.639 380 H LYS 46 H LYS 46 -6.933 -2.988 -2.731 381 HA LYS 46 HA LYS 46 -9.145 -4.209 -4.241 382 HB2 LYS 46 2HB LYS 46 -6.366 -3.700 -4.877 383 HB3 LYS 46 1HB LYS 46 -6.743 -5.416 -5.042 384 HG2 LYS 46 2HG LYS 46 -8.627 -4.833 -6.515 385 HG3 LYS 46 1HG LYS 46 -8.170 -3.133 -6.392 386 HD2 LYS 46 2HD LYS 46 -6.097 -3.523 -7.490 387 HD3 LYS 46 1HD LYS 46 -6.294 -5.274 -7.374 388 HE2 LYS 46 2HE LYS 46 -6.989 -5.034 -9.513 389 HE3 LYS 46 1HE LYS 46 -8.525 -4.675 -8.725 390 HZ1 LYS 46 3HZ LYS 46 -7.514 -3.087 -10.530 391 HZ2 LYS 46 1HZ LYS 46 -6.667 -2.462 -9.205 392 HZ3 LYS 46 2HZ LYS 46 -8.359 -2.469 -9.201 393 H ASP 47 H ASP 47 -9.952 -6.038 -3.489 394 HA ASP 47 HA ASP 47 -8.519 -7.486 -1.401 395 HB2 ASP 47 2HB ASP 47 -11.347 -7.904 -2.365 396 HB3 ASP 47 1HB ASP 47 -10.627 -8.551 -0.893 397 H GLU 48 H GLU 48 -7.957 -7.627 -4.387 398 HA GLU 48 HA GLU 48 -8.606 -10.386 -5.012 399 HB2 GLU 48 2HB GLU 48 -7.350 -8.114 -6.497 400 HB3 GLU 48 1HB GLU 48 -7.090 -9.757 -7.065 401 HG2 GLU 48 2HG GLU 48 -9.876 -8.993 -6.490 402 HG3 GLU 48 1HG GLU 48 -9.116 -8.213 -7.874 403 H ILE 49 H ILE 49 -5.782 -8.416 -4.252 404 HA ILE 49 HA ILE 49 -4.359 -10.837 -3.457 405 HB ILE 49 HB ILE 49 -2.252 -9.794 -4.554 406 HG12 ILE 49 2HG1 ILE 49 -3.581 -7.722 -5.245 407 HG13 ILE 49 1HG1 ILE 49 -2.550 -8.447 -6.473 408 HG21 ILE 49 1HG2 ILE 49 -3.076 -11.947 -5.182 409 HG22 ILE 49 2HG2 ILE 49 -2.717 -11.047 -6.656 410 HG23 ILE 49 3HG2 ILE 49 -4.387 -11.230 -6.119 411 HD11 ILE 49 3HD1 ILE 49 -5.150 -9.610 -6.634 412 HD12 ILE 49 1HD1 ILE 49 -4.279 -8.653 -7.831 413 HD13 ILE 49 2HD1 ILE 49 -5.291 -7.852 -6.630 414 H LYS 50 H LYS 50 -5.591 -8.432 -2.167 415 HA LYS 50 HA LYS 50 -5.167 -7.020 -0.435 416 HB2 LYS 50 2HB LYS 50 -2.537 -8.432 -0.054 417 HB3 LYS 50 1HB LYS 50 -3.567 -7.691 1.162 418 HG2 LYS 50 2HG LYS 50 -5.034 -9.746 -0.168 419 HG3 LYS 50 1HG LYS 50 -3.477 -10.388 0.356 420 HD2 LYS 50 2HD LYS 50 -4.678 -10.735 2.264 421 HD3 LYS 50 1HD LYS 50 -4.117 -9.093 2.580 422 HE2 LYS 50 2HE LYS 50 -6.179 -8.173 2.228 423 HE3 LYS 50 1HE LYS 50 -6.669 -9.436 1.099 424 HZ1 LYS 50 3HZ LYS 50 -6.247 -10.232 3.873 425 HZ2 LYS 50 1HZ LYS 50 -7.406 -10.760 2.759 426 HZ3 LYS 50 2HZ LYS 50 -7.609 -9.282 3.555 427 H THR 51 H THR 51 -4.937 -5.165 -1.740 428 HA THR 51 HA THR 51 -2.233 -4.084 -1.722 429 HB THR 51 HB THR 51 -2.431 -3.295 -4.062 430 HG1 THR 51 1HG THR 51 -4.042 -4.275 -5.359 431 HG21 THR 51 3HG2 THR 51 -1.402 -5.574 -3.378 432 HG22 THR 51 1HG2 THR 51 -1.693 -5.214 -5.079 433 HG23 THR 51 2HG2 THR 51 -2.816 -6.245 -4.192 434 H PHE 52 H PHE 52 -2.322 -2.179 -0.781 435 HA PHE 52 HA PHE 52 -4.819 -0.657 -0.796 436 HB2 PHE 52 2HB PHE 52 -2.763 -1.097 1.125 437 HB3 PHE 52 1HB PHE 52 -2.768 0.621 0.740 438 HD1 PHE 52 2HD PHE 52 -5.621 1.105 0.243 439 HD2 PHE 52 1HD PHE 52 -3.704 -1.238 3.234 440 HE1 PHE 52 2HE PHE 52 -7.551 1.435 1.732 441 HE2 PHE 52 1HE PHE 52 -5.631 -0.913 4.729 442 HZ PHE 52 HZ PHE 52 -7.558 0.426 3.979 443 H THR 53 H THR 53 -4.972 1.437 -1.613 444 HA THR 53 HA THR 53 -2.588 2.614 -2.816 445 HB THR 53 HB THR 53 -3.962 3.059 -4.926 446 HG1 THR 53 1HG THR 53 -5.794 2.035 -5.180 447 HG21 THR 53 3HG2 THR 53 -3.234 1.145 -6.005 448 HG22 THR 53 1HG2 THR 53 -3.447 0.136 -4.574 449 HG23 THR 53 2HG2 THR 53 -2.123 1.298 -4.645 450 H VAL 54 H VAL 54 -2.599 4.809 -2.903 451 HA VAL 54 HA VAL 54 -5.053 6.164 -1.988 452 HB VAL 54 HB VAL 54 -2.239 7.047 -1.341 453 HG11 VAL 54 1HG1 VAL 54 -4.624 7.915 0.195 454 HG12 VAL 54 2HG1 VAL 54 -4.395 8.597 -1.415 455 HG13 VAL 54 3HG1 VAL 54 -3.141 8.791 -0.190 456 HG21 VAL 54 3HG2 VAL 54 -2.619 6.224 0.915 457 HG22 VAL 54 1HG2 VAL 54 -2.745 4.906 -0.251 458 HG23 VAL 54 2HG2 VAL 54 -4.205 5.612 0.442 459 H THR 55 H THR 55 -5.791 6.971 -3.872 460 HA THR 55 HA THR 55 -3.950 8.374 -5.657 461 HB THR 55 HB THR 55 -6.857 7.628 -6.033 462 HG1 THR 55 1HG THR 55 -6.042 5.770 -6.508 463 HG21 THR 55 3HG2 THR 55 -6.110 7.947 -8.506 464 HG22 THR 55 1HG2 THR 55 -4.918 9.032 -7.795 465 HG23 THR 55 2HG2 THR 55 -6.640 9.323 -7.546 466 H GLU 56 H GLU 56 -4.505 10.485 -6.483 467 HA GLU 56 HA GLU 56 -6.511 12.054 -5.147 468 HB2 GLU 56 2HB GLU 56 -4.720 12.051 -3.457 469 HB3 GLU 56 1HB GLU 56 -3.594 12.682 -4.652 470 HG2 GLU 56 2HG GLU 56 -5.323 14.611 -4.867 471 HG3 GLU 56 1HG GLU 56 -5.866 14.039 -3.287 Start of MODEL 6 1 H1 THR 1 1HT THR 1 1.948 -12.407 4.910 2 H2 THR 1 2HT THR 1 0.657 -13.517 5.128 3 H3 THR 1 3HT THR 1 0.389 -11.834 5.333 4 HA THR 1 HA THR 1 0.891 -13.342 2.871 5 HB THR 1 HB THR 1 -1.208 -11.262 3.409 6 HG1 THR 1 1HG THR 1 -1.211 -13.958 4.252 7 HG21 THR 1 3HG2 THR 1 -1.524 -13.787 1.841 8 HG22 THR 1 1HG2 THR 1 -0.811 -12.343 1.123 9 HG23 THR 1 2HG2 THR 1 -2.457 -12.294 1.752 10 H THR 2 H THR 2 1.287 -12.159 0.961 11 HA THR 2 HA THR 2 3.053 -9.946 1.296 12 HB THR 2 HB THR 2 3.376 -11.599 -0.486 13 HG1 THR 2 1HG THR 2 4.335 -9.934 -1.317 14 HG21 THR 2 3HG2 THR 2 0.843 -10.475 -1.656 15 HG22 THR 2 1HG2 THR 2 1.116 -12.128 -1.105 16 HG23 THR 2 2HG2 THR 2 1.983 -11.513 -2.513 17 H TYR 3 H TYR 3 2.695 -7.809 1.094 18 HA TYR 3 HA TYR 3 0.007 -6.959 0.231 19 HB2 TYR 3 2HB TYR 3 1.283 -6.551 2.751 20 HB3 TYR 3 1HB TYR 3 1.139 -4.989 1.953 21 HD1 TYR 3 1HD TYR 3 -1.081 -4.099 1.364 22 HD2 TYR 3 2HD TYR 3 -0.649 -7.728 3.541 23 HE1 TYR 3 1HE TYR 3 -3.443 -3.970 2.030 24 HE2 TYR 3 2HE TYR 3 -3.014 -7.610 4.210 25 HH TYR 3 HH TYR 3 -4.924 -4.804 3.736 26 H LYS 4 H LYS 4 -0.148 -5.161 -1.070 27 HA LYS 4 HA LYS 4 2.401 -3.983 -1.964 28 HB2 LYS 4 2HB LYS 4 0.961 -5.600 -3.530 29 HB3 LYS 4 1HB LYS 4 0.107 -4.098 -3.853 30 HG2 LYS 4 2HG LYS 4 2.384 -3.092 -4.364 31 HG3 LYS 4 1HG LYS 4 2.986 -4.751 -4.374 32 HD2 LYS 4 2HD LYS 4 0.560 -4.355 -5.963 33 HD3 LYS 4 1HD LYS 4 1.950 -3.430 -6.534 34 HE2 LYS 4 2HE LYS 4 3.195 -5.720 -6.201 35 HE3 LYS 4 1HE LYS 4 1.568 -6.381 -6.357 36 HZ1 LYS 4 3HZ LYS 4 2.500 -4.435 -8.345 37 HZ2 LYS 4 1HZ LYS 4 1.401 -5.709 -8.520 38 HZ3 LYS 4 2HZ LYS 4 3.061 -6.027 -8.445 39 H LEU 5 H LEU 5 2.224 -1.794 -2.848 40 HA LEU 5 HA LEU 5 -0.157 -0.323 -1.983 41 HB2 LEU 5 2HB LEU 5 2.380 -0.254 -0.670 42 HB3 LEU 5 1HB LEU 5 2.092 1.308 -1.415 43 HG LEU 5 HG LEU 5 0.076 -0.023 0.385 44 HD11 LEU 5 1HD1 LEU 5 0.902 1.290 2.208 45 HD12 LEU 5 2HD1 LEU 5 2.104 2.062 1.172 46 HD13 LEU 5 3HD1 LEU 5 2.241 0.345 1.556 47 HD21 LEU 5 3HD2 LEU 5 -0.281 2.016 -1.328 48 HD22 LEU 5 1HD2 LEU 5 0.280 2.905 0.088 49 HD23 LEU 5 2HD2 LEU 5 -1.143 1.869 0.203 50 H ILE 6 H ILE 6 -0.746 1.295 -3.304 51 HA ILE 6 HA ILE 6 1.170 2.326 -5.239 52 HB ILE 6 HB ILE 6 -1.513 1.845 -6.373 53 HG12 ILE 6 2HG1 ILE 6 0.482 -0.419 -6.133 54 HG13 ILE 6 1HG1 ILE 6 -0.998 -0.298 -5.186 55 HG21 ILE 6 1HG2 ILE 6 1.321 1.756 -7.361 56 HG22 ILE 6 2HG2 ILE 6 0.049 2.909 -7.770 57 HG23 ILE 6 3HG2 ILE 6 -0.047 1.247 -8.353 58 HD11 ILE 6 3HD1 ILE 6 -1.960 -1.476 -6.798 59 HD12 ILE 6 1HD1 ILE 6 -0.595 -1.240 -7.889 60 HD13 ILE 6 2HD1 ILE 6 -1.864 -0.020 -7.789 61 H LEU 7 H LEU 7 1.205 4.441 -4.782 62 HA LEU 7 HA LEU 7 -1.357 5.753 -4.183 63 HB2 LEU 7 2HB LEU 7 1.426 6.629 -3.427 64 HB3 LEU 7 1HB LEU 7 -0.064 7.463 -3.005 65 HG LEU 7 HG LEU 7 -0.638 5.105 -1.914 66 HD11 LEU 7 1HD1 LEU 7 2.327 5.139 -2.224 67 HD12 LEU 7 2HD1 LEU 7 1.194 3.793 -2.359 68 HD13 LEU 7 3HD1 LEU 7 1.612 4.439 -0.771 69 HD21 LEU 7 3HD2 LEU 7 0.761 7.513 -0.924 70 HD22 LEU 7 1HD2 LEU 7 0.757 6.104 0.138 71 HD23 LEU 7 2HD2 LEU 7 -0.769 6.796 -0.415 72 H ASN 8 H ASN 8 -2.044 7.479 -5.317 73 HA ASN 8 HA ASN 8 -0.245 8.547 -7.393 74 HB2 ASN 8 2HB ASN 8 -2.172 6.943 -8.144 75 HB3 ASN 8 1HB ASN 8 -3.203 8.345 -7.858 76 HD21 ASN 8 1HD2 ASN 8 -3.392 9.794 -9.419 77 HD22 ASN 8 2HD2 ASN 8 -2.401 9.878 -10.831 78 H LEU 9 H LEU 9 -0.089 10.709 -7.450 79 HA LEU 9 HA LEU 9 -2.182 12.301 -6.143 80 HB2 LEU 9 2HB LEU 9 -0.135 13.777 -5.396 81 HB3 LEU 9 1HB LEU 9 -0.689 12.423 -4.423 82 HG LEU 9 HG LEU 9 1.529 12.097 -6.426 83 HD11 LEU 9 1HD1 LEU 9 1.598 13.423 -3.783 84 HD12 LEU 9 2HD1 LEU 9 2.612 13.669 -5.205 85 HD13 LEU 9 3HD1 LEU 9 2.896 12.281 -4.147 86 HD21 LEU 9 3HD2 LEU 9 0.321 10.528 -4.232 87 HD22 LEU 9 1HD2 LEU 9 2.074 10.437 -4.402 88 HD23 LEU 9 2HD2 LEU 9 1.032 9.993 -5.754 89 H LYS 10 H LYS 10 0.722 12.410 -8.195 90 HA LYS 10 HA LYS 10 -0.488 14.684 -9.617 91 HB2 LYS 10 2HB LYS 10 2.209 14.218 -8.629 92 HB3 LYS 10 1HB LYS 10 2.197 14.617 -10.339 93 HG2 LYS 10 2HG LYS 10 0.560 16.301 -8.530 94 HG3 LYS 10 1HG LYS 10 2.316 16.462 -8.444 95 HD2 LYS 10 2HD LYS 10 2.382 17.599 -10.363 96 HD3 LYS 10 1HD LYS 10 1.390 16.397 -11.187 97 HE2 LYS 10 2HE LYS 10 -0.607 17.453 -10.053 98 HE3 LYS 10 1HE LYS 10 0.470 18.754 -9.563 99 HZ1 LYS 10 3HZ LYS 10 0.759 19.438 -11.741 100 HZ2 LYS 10 1HZ LYS 10 -0.877 19.006 -11.713 101 HZ3 LYS 10 2HZ LYS 10 0.262 17.961 -12.396 102 H GLN 11 H GLN 11 2.196 12.577 -10.574 103 HA GLN 11 HA GLN 11 0.564 11.637 -12.836 104 HB2 GLN 11 2HB GLN 11 3.511 12.239 -13.054 105 HB3 GLN 11 1HB GLN 11 2.363 11.929 -14.357 106 HG2 GLN 11 2HG GLN 11 1.197 14.057 -13.665 107 HG3 GLN 11 1HG GLN 11 2.590 14.371 -12.628 108 HE21 GLN 11 1HE2 GLN 11 1.324 14.485 -15.786 109 HE22 GLN 11 2HE2 GLN 11 2.732 15.091 -16.583 110 H ALA 12 H ALA 12 3.818 11.041 -11.489 111 HA ALA 12 HA ALA 12 3.578 8.221 -11.981 112 HB1 ALA 12 1HB ALA 12 5.814 8.134 -11.688 113 HB2 ALA 12 2HB ALA 12 5.777 9.190 -10.275 114 HB3 ALA 12 3HB ALA 12 5.698 9.881 -11.896 115 H LYS 13 H LYS 13 2.656 6.815 -10.649 116 HA LYS 13 HA LYS 13 1.909 7.605 -7.978 117 HB2 LYS 13 2HB LYS 13 0.869 5.316 -7.905 118 HB3 LYS 13 1HB LYS 13 0.278 6.359 -9.191 119 HG2 LYS 13 2HG LYS 13 2.485 4.878 -10.195 120 HG3 LYS 13 1HG LYS 13 1.385 3.760 -9.387 121 HD2 LYS 13 2HD LYS 13 -0.483 4.820 -10.704 122 HD3 LYS 13 1HD LYS 13 0.755 5.673 -11.627 123 HE2 LYS 13 2HE LYS 13 0.030 3.650 -12.784 124 HE3 LYS 13 1HE LYS 13 1.725 3.542 -12.312 125 HZ1 LYS 13 3HZ LYS 13 0.251 1.528 -11.898 126 HZ2 LYS 13 1HZ LYS 13 -0.417 2.413 -10.620 127 HZ3 LYS 13 2HZ LYS 13 1.233 2.042 -10.619 128 H GLU 14 H GLU 14 2.290 6.119 -6.110 129 HA GLU 14 HA GLU 14 5.116 5.424 -6.038 130 HB2 GLU 14 2HB GLU 14 3.235 6.423 -4.162 131 HB3 GLU 14 1HB GLU 14 3.777 4.853 -3.568 132 HG2 GLU 14 2HG GLU 14 5.490 7.231 -4.249 133 HG3 GLU 14 1HG GLU 14 5.173 6.561 -2.648 134 H GLU 15 H GLU 15 5.841 3.384 -5.113 135 HA GLU 15 HA GLU 15 3.926 1.183 -5.248 136 HB2 GLU 15 2HB GLU 15 6.052 1.703 -7.197 137 HB3 GLU 15 1HB GLU 15 6.107 0.082 -6.518 138 HG2 GLU 15 2HG GLU 15 3.425 0.517 -7.122 139 HG3 GLU 15 1HG GLU 15 4.318 1.199 -8.480 140 H ALA 16 H ALA 16 4.418 -0.539 -3.937 141 HA ALA 16 HA ALA 16 6.987 -0.977 -2.801 142 HB1 ALA 16 1HB ALA 16 6.891 0.009 -0.775 143 HB2 ALA 16 2HB ALA 16 5.149 -0.222 -0.624 144 HB3 ALA 16 3HB ALA 16 5.781 1.105 -1.597 145 H ILE 17 H ILE 17 7.092 -2.884 -1.574 146 HA ILE 17 HA ILE 17 4.584 -4.416 -1.387 147 HB ILE 17 HB ILE 17 7.236 -5.615 -2.178 148 HG12 ILE 17 2HG1 ILE 17 4.948 -5.418 -4.083 149 HG13 ILE 17 1HG1 ILE 17 5.933 -3.982 -3.824 150 HG21 ILE 17 1HG2 ILE 17 5.491 -7.016 -0.985 151 HG22 ILE 17 2HG2 ILE 17 6.062 -7.624 -2.540 152 HG23 ILE 17 3HG2 ILE 17 4.496 -6.820 -2.429 153 HD11 ILE 17 3HD1 ILE 17 7.804 -5.953 -4.212 154 HD12 ILE 17 1HD1 ILE 17 7.246 -4.793 -5.419 155 HD13 ILE 17 2HD1 ILE 17 6.510 -6.393 -5.327 156 H LYS 18 H LYS 18 4.236 -5.390 0.510 157 HA LYS 18 HA LYS 18 6.467 -5.928 2.307 158 HB2 LYS 18 2HB LYS 18 5.083 -3.635 2.647 159 HB3 LYS 18 1HB LYS 18 4.085 -4.731 3.594 160 HG2 LYS 18 2HG LYS 18 5.668 -3.718 5.052 161 HG3 LYS 18 1HG LYS 18 6.130 -5.408 4.838 162 HD2 LYS 18 2HD LYS 18 8.170 -4.629 4.347 163 HD3 LYS 18 1HD LYS 18 7.474 -4.132 2.802 164 HE2 LYS 18 2HE LYS 18 8.221 -2.095 3.399 165 HE3 LYS 18 1HE LYS 18 6.753 -2.050 4.374 166 HZ1 LYS 18 3HZ LYS 18 8.376 -3.249 6.072 167 HZ2 LYS 18 1HZ LYS 18 8.252 -1.564 5.976 168 HZ3 LYS 18 2HZ LYS 18 9.529 -2.364 5.208 169 H GLU 19 H GLU 19 6.292 -7.976 2.892 170 HA GLU 19 HA GLU 19 3.632 -9.202 3.023 171 HB2 GLU 19 2HB GLU 19 6.180 -10.782 3.044 172 HB3 GLU 19 1HB GLU 19 4.586 -11.257 2.476 173 HG2 GLU 19 2HG GLU 19 4.876 -9.621 0.597 174 HG3 GLU 19 1HG GLU 19 6.549 -9.429 1.121 175 H LEU 20 H LEU 20 2.889 -9.027 5.022 176 HA LEU 20 HA LEU 20 4.698 -9.478 7.284 177 HB2 LEU 20 2HB LEU 20 2.252 -7.905 6.858 178 HB3 LEU 20 1HB LEU 20 2.316 -8.744 8.397 179 HG LEU 20 HG LEU 20 4.657 -7.664 8.640 180 HD11 LEU 20 1HD1 LEU 20 4.299 -6.846 6.125 181 HD12 LEU 20 2HD1 LEU 20 5.270 -5.951 7.294 182 HD13 LEU 20 3HD1 LEU 20 3.607 -5.462 6.971 183 HD21 LEU 20 3HD2 LEU 20 3.586 -5.549 9.483 184 HD22 LEU 20 1HD2 LEU 20 2.893 -7.048 10.101 185 HD23 LEU 20 2HD2 LEU 20 2.063 -6.151 8.829 186 H VAL 21 H VAL 21 3.133 -10.351 9.249 187 HA VAL 21 HA VAL 21 2.882 -13.097 8.770 188 HB VAL 21 HB VAL 21 3.221 -12.160 11.015 189 HG11 VAL 21 1HG1 VAL 21 1.464 -11.094 12.244 190 HG12 VAL 21 2HG1 VAL 21 0.322 -11.344 10.924 191 HG13 VAL 21 3HG1 VAL 21 1.673 -10.229 10.721 192 HG21 VAL 21 3HG2 VAL 21 1.993 -13.773 12.176 193 HG22 VAL 21 1HG2 VAL 21 2.126 -14.433 10.546 194 HG23 VAL 21 2HG2 VAL 21 0.626 -13.665 11.067 195 H ASP 22 H ASP 22 0.402 -10.557 8.944 196 HA ASP 22 HA ASP 22 -1.391 -12.310 7.440 197 HB2 ASP 22 2HB ASP 22 -1.745 -12.042 10.104 198 HB3 ASP 22 1HB ASP 22 -2.659 -10.645 9.545 199 H ALA 23 H ALA 23 -3.552 -10.284 7.826 200 HA ALA 23 HA ALA 23 -2.502 -8.271 5.958 201 HB1 ALA 23 1HB ALA 23 -4.155 -9.617 4.888 202 HB2 ALA 23 2HB ALA 23 -4.874 -8.039 5.207 203 HB3 ALA 23 3HB ALA 23 -5.273 -9.415 6.236 204 H GLY 24 H GLY 24 -3.205 -8.536 9.121 205 HA2 GLY 24 2HA GLY 24 -4.703 -6.054 9.400 206 HA3 GLY 24 1HA GLY 24 -4.216 -7.130 10.704 207 H THR 25 H THR 25 -1.697 -7.297 10.847 208 HA THR 25 HA THR 25 -0.719 -4.866 11.751 209 HB THR 25 HB THR 25 1.555 -5.989 11.582 210 HG1 THR 25 1HG THR 25 0.778 -7.358 9.772 211 HG21 THR 25 3HG2 THR 25 1.161 -7.596 13.299 212 HG22 THR 25 1HG2 THR 25 -0.552 -7.687 12.888 213 HG23 THR 25 2HG2 THR 25 0.112 -6.209 13.582 214 H ALA 26 H ALA 26 -0.615 -6.287 8.563 215 HA ALA 26 HA ALA 26 1.246 -4.343 7.525 216 HB1 ALA 26 1HB ALA 26 0.177 -5.503 5.321 217 HB2 ALA 26 2HB ALA 26 -0.099 -6.760 6.527 218 HB3 ALA 26 3HB ALA 26 1.534 -6.163 6.233 219 H GLU 27 H GLU 27 -2.230 -4.844 7.638 220 HA GLU 27 HA GLU 27 -2.939 -2.904 5.699 221 HB2 GLU 27 2HB GLU 27 -4.617 -4.449 6.303 222 HB3 GLU 27 1HB GLU 27 -4.406 -4.143 8.019 223 HG2 GLU 27 2HG GLU 27 -5.168 -1.711 6.748 224 HG3 GLU 27 1HG GLU 27 -6.264 -2.990 6.232 225 H LYS 28 H LYS 28 -2.338 -2.722 9.158 226 HA LYS 28 HA LYS 28 -3.107 0.034 9.377 227 HB2 LYS 28 2HB LYS 28 -1.543 -1.720 11.273 228 HB3 LYS 28 1HB LYS 28 -2.188 -0.127 11.659 229 HG2 LYS 28 2HG LYS 28 -4.279 -0.896 11.948 230 HG3 LYS 28 1HG LYS 28 -4.149 -2.064 10.637 231 HD2 LYS 28 2HD LYS 28 -2.759 -3.496 12.094 232 HD3 LYS 28 1HD LYS 28 -2.993 -2.343 13.408 233 HE2 LYS 28 2HE LYS 28 -5.362 -2.751 13.411 234 HE3 LYS 28 1HE LYS 28 -5.231 -3.767 11.972 235 HZ1 LYS 28 3HZ LYS 28 -4.055 -5.403 13.200 236 HZ2 LYS 28 1HZ LYS 28 -5.418 -4.997 14.111 237 HZ3 LYS 28 2HZ LYS 28 -3.899 -4.394 14.554 238 H TYR 29 H TYR 29 -0.000 -1.704 9.426 239 HA TYR 29 HA TYR 29 1.693 0.469 9.730 240 HB2 TYR 29 2HB TYR 29 2.149 -2.130 9.572 241 HB3 TYR 29 1HB TYR 29 2.491 -1.744 7.883 242 HD1 TYR 29 2HD TYR 29 3.471 -0.954 11.373 243 HD2 TYR 29 1HD TYR 29 4.547 -0.776 7.262 244 HE1 TYR 29 2HE TYR 29 5.741 -0.252 11.998 245 HE2 TYR 29 1HE TYR 29 6.821 -0.073 7.881 246 HH TYR 29 HH TYR 29 7.978 0.980 9.748 247 H PHE 30 H PHE 30 0.300 -0.881 6.767 248 HA PHE 30 HA PHE 30 1.671 0.869 5.000 249 HB2 PHE 30 2HB PHE 30 -0.500 -1.121 4.800 250 HB3 PHE 30 1HB PHE 30 -0.556 0.169 3.599 251 HD1 PHE 30 2HD PHE 30 2.683 -0.853 4.903 252 HD2 PHE 30 1HD PHE 30 -0.200 -1.496 1.839 253 HE1 PHE 30 2HE PHE 30 4.376 -2.028 3.561 254 HE2 PHE 30 1HE PHE 30 1.487 -2.677 0.494 255 HZ PHE 30 HZ PHE 30 3.778 -2.941 1.352 256 H LYS 31 H LYS 31 -1.407 1.017 6.693 257 HA LYS 31 HA LYS 31 -2.410 3.306 5.352 258 HB2 LYS 31 2HB LYS 31 -3.462 1.519 7.109 259 HB3 LYS 31 1HB LYS 31 -3.217 2.904 8.165 260 HG2 LYS 31 2HG LYS 31 -4.581 4.289 6.748 261 HG3 LYS 31 1HG LYS 31 -4.732 2.988 5.565 262 HD2 LYS 31 2HD LYS 31 -5.893 1.618 7.242 263 HD3 LYS 31 1HD LYS 31 -5.763 2.941 8.402 264 HE2 LYS 31 2HE LYS 31 -7.063 3.358 5.735 265 HE3 LYS 31 1HE LYS 31 -7.962 2.646 7.074 266 HZ1 LYS 31 3HZ LYS 31 -6.498 5.087 7.668 267 HZ2 LYS 31 1HZ LYS 31 -8.034 4.593 8.177 268 HZ3 LYS 31 2HZ LYS 31 -7.827 5.257 6.636 269 H LEU 32 H LEU 32 -0.220 2.823 8.012 270 HA LEU 32 HA LEU 32 -0.312 5.481 9.033 271 HB2 LEU 32 2HB LEU 32 0.476 3.497 10.310 272 HB3 LEU 32 1HB LEU 32 1.893 3.432 9.279 273 HG LEU 32 HG LEU 32 2.146 5.951 10.128 274 HD11 LEU 32 1HD1 LEU 32 1.618 5.689 12.689 275 HD12 LEU 32 2HD1 LEU 32 0.368 4.596 12.085 276 HD13 LEU 32 3HD1 LEU 32 0.395 6.279 11.561 277 HD21 LEU 32 3HD2 LEU 32 3.097 3.345 11.148 278 HD22 LEU 32 1HD2 LEU 32 3.386 4.749 12.168 279 HD23 LEU 32 2HD2 LEU 32 4.005 4.719 10.515 280 H ILE 33 H ILE 33 2.152 3.763 7.103 281 HA ILE 33 HA ILE 33 3.826 5.923 6.611 282 HB ILE 33 HB ILE 33 4.438 3.611 6.071 283 HG12 ILE 33 2HG1 ILE 33 5.501 4.060 3.855 284 HG13 ILE 33 1HG1 ILE 33 4.527 5.522 3.726 285 HG21 ILE 33 1HG2 ILE 33 2.504 3.892 3.775 286 HG22 ILE 33 2HG2 ILE 33 2.304 2.851 5.185 287 HG23 ILE 33 3HG2 ILE 33 3.604 2.539 4.036 288 HD11 ILE 33 3HD1 ILE 33 6.186 6.591 4.726 289 HD12 ILE 33 1HD1 ILE 33 7.007 5.080 5.114 290 HD13 ILE 33 2HD1 ILE 33 5.773 5.717 6.201 291 H ALA 34 H ALA 34 0.932 4.882 4.864 292 HA ALA 34 HA ALA 34 1.160 6.673 2.700 293 HB1 ALA 34 1HB ALA 34 -0.406 5.131 2.172 294 HB2 ALA 34 2HB ALA 34 -1.503 6.330 2.859 295 HB3 ALA 34 3HB ALA 34 -0.961 4.967 3.838 296 H ASN 35 H ASN 35 -0.177 6.989 5.926 297 HA ASN 35 HA ASN 35 -1.549 9.427 5.532 298 HB2 ASN 35 2HB ASN 35 -1.594 7.705 7.526 299 HB3 ASN 35 1HB ASN 35 -0.328 8.741 8.176 300 HD21 ASN 35 1HD2 ASN 35 -3.632 8.725 6.968 301 HD22 ASN 35 2HD2 ASN 35 -4.170 10.083 7.889 302 H ALA 36 H ALA 36 1.788 8.642 6.173 303 HA ALA 36 HA ALA 36 2.479 11.420 6.704 304 HB1 ALA 36 1HB ALA 36 3.499 9.138 7.699 305 HB2 ALA 36 2HB ALA 36 4.393 10.656 7.623 306 HB3 ALA 36 3HB ALA 36 4.628 9.430 6.378 307 H LYS 37 H LYS 37 2.799 9.004 4.177 308 HA LYS 37 HA LYS 37 4.552 10.591 2.553 309 HB2 LYS 37 2HB LYS 37 3.022 8.041 2.135 310 HB3 LYS 37 1HB LYS 37 3.801 8.846 0.780 311 HG2 LYS 37 2HG LYS 37 5.372 8.255 3.246 312 HG3 LYS 37 1HG LYS 37 5.047 6.973 2.077 313 HD2 LYS 37 2HD LYS 37 6.898 7.711 1.048 314 HD3 LYS 37 1HD LYS 37 5.867 9.017 0.461 315 HE2 LYS 37 2HE LYS 37 7.988 9.815 1.461 316 HE3 LYS 37 1HE LYS 37 6.554 10.442 2.272 317 HZ1 LYS 37 3HZ LYS 37 6.966 9.235 4.138 318 HZ2 LYS 37 1HZ LYS 37 8.560 9.445 3.612 319 HZ3 LYS 37 2HZ LYS 37 7.756 7.987 3.315 320 H THR 38 H THR 38 1.414 9.287 1.535 321 HA THR 38 HA THR 38 0.505 11.964 0.814 322 HB THR 38 HB THR 38 0.379 9.763 -1.232 323 HG1 THR 38 1HG THR 38 2.267 10.460 -2.086 324 HG21 THR 38 3HG2 THR 38 0.672 12.471 -2.181 325 HG22 THR 38 1HG2 THR 38 -0.752 12.274 -1.161 326 HG23 THR 38 2HG2 THR 38 -0.539 11.254 -2.583 327 H VAL 39 H VAL 39 -1.695 12.203 0.835 328 HA VAL 39 HA VAL 39 -3.610 10.196 0.596 329 HB VAL 39 HB VAL 39 -2.785 9.194 2.605 330 HG11 VAL 39 1HG1 VAL 39 -3.105 10.871 4.718 331 HG12 VAL 39 2HG1 VAL 39 -2.512 11.971 3.481 332 HG13 VAL 39 3HG1 VAL 39 -1.571 10.554 3.909 333 HG21 VAL 39 3HG2 VAL 39 -4.824 8.815 3.423 334 HG22 VAL 39 1HG2 VAL 39 -5.398 10.059 2.312 335 HG23 VAL 39 2HG2 VAL 39 -4.995 10.481 3.976 336 H GLU 40 H GLU 40 -4.627 11.870 -0.526 337 HA GLU 40 HA GLU 40 -6.257 13.589 1.118 338 HB2 GLU 40 2HB GLU 40 -3.928 14.717 0.493 339 HB3 GLU 40 1HB GLU 40 -4.780 15.051 -1.012 340 HG2 GLU 40 2HG GLU 40 -6.315 16.435 0.018 341 HG3 GLU 40 1HG GLU 40 -6.043 15.731 1.608 342 H GLY 41 H GLY 41 -6.505 11.410 -0.904 343 HA2 GLY 41 2HA GLY 41 -8.479 12.775 -2.595 344 HA3 GLY 41 1HA GLY 41 -7.272 11.746 -3.363 345 H VAL 42 H VAL 42 -8.543 10.143 -4.129 346 HA VAL 42 HA VAL 42 -10.528 8.895 -2.412 347 HB VAL 42 HB VAL 42 -11.078 9.275 -4.769 348 HG11 VAL 42 1HG1 VAL 42 -9.998 7.937 -6.525 349 HG12 VAL 42 2HG1 VAL 42 -8.841 7.344 -5.334 350 HG13 VAL 42 3HG1 VAL 42 -8.876 9.053 -5.749 351 HG21 VAL 42 3HG2 VAL 42 -10.861 6.351 -4.096 352 HG22 VAL 42 1HG2 VAL 42 -11.953 7.067 -5.282 353 HG23 VAL 42 2HG2 VAL 42 -12.147 7.437 -3.568 354 H TRP 43 H TRP 43 -10.475 6.765 -1.712 355 HA TRP 43 HA TRP 43 -7.801 5.544 -1.721 356 HB2 TRP 43 2HB TRP 43 -10.011 5.656 0.268 357 HB3 TRP 43 1HB TRP 43 -9.041 4.181 0.220 358 HD1 TRP 43 HD TRP 43 -8.399 8.009 0.472 359 HE1 TRP 43 1HE TRP 43 -6.391 8.365 2.039 360 HE3 TRP 43 3HE TRP 43 -7.236 3.122 1.424 361 HZ2 TRP 43 2HZ TRP 43 -4.554 6.784 3.488 362 HZ3 TRP 43 3HZ TRP 43 -5.338 2.630 2.911 363 HH2 TRP 43 HH TRP 43 -4.024 4.424 3.920 364 H THR 44 H THR 44 -7.463 3.618 -2.624 365 HA THR 44 HA THR 44 -9.802 2.010 -3.411 366 HB THR 44 HB THR 44 -7.590 1.521 -5.171 367 HG1 THR 44 1HG THR 44 -8.438 4.225 -5.102 368 HG21 THR 44 3HG2 THR 44 -9.529 1.047 -6.214 369 HG22 THR 44 1HG2 THR 44 -9.358 2.715 -6.764 370 HG23 THR 44 2HG2 THR 44 -10.414 2.339 -5.402 371 H TYR 45 H TYR 45 -9.747 -0.079 -2.815 372 HA TYR 45 HA TYR 45 -7.168 -1.200 -1.946 373 HB2 TYR 45 2HB TYR 45 -8.457 -0.568 0.035 374 HB3 TYR 45 1HB TYR 45 -9.834 -1.510 -0.546 375 HD1 TYR 45 1HD TYR 45 -6.223 -1.922 0.319 376 HD2 TYR 45 2HD TYR 45 -10.096 -3.679 0.216 377 HE1 TYR 45 1HE TYR 45 -5.350 -3.901 1.483 378 HE2 TYR 45 2HE TYR 45 -9.233 -5.665 1.381 379 HH TYR 45 HH TYR 45 -6.955 -6.800 1.645 380 H LYS 46 H LYS 46 -6.993 -3.498 -2.036 381 HA LYS 46 HA LYS 46 -9.002 -4.846 -3.703 382 HB2 LYS 46 2HB LYS 46 -6.023 -5.167 -4.097 383 HB3 LYS 46 1HB LYS 46 -7.314 -5.842 -5.091 384 HG2 LYS 46 2HG LYS 46 -7.856 -3.182 -5.239 385 HG3 LYS 46 1HG LYS 46 -6.094 -3.179 -5.128 386 HD2 LYS 46 2HD LYS 46 -7.534 -4.987 -7.042 387 HD3 LYS 46 1HD LYS 46 -7.169 -3.313 -7.462 388 HE2 LYS 46 2HE LYS 46 -4.781 -4.265 -6.454 389 HE3 LYS 46 1HE LYS 46 -5.423 -5.637 -7.355 390 HZ1 LYS 46 3HZ LYS 46 -5.250 -2.912 -8.506 391 HZ2 LYS 46 1HZ LYS 46 -5.507 -4.373 -9.321 392 HZ3 LYS 46 2HZ LYS 46 -3.995 -4.039 -8.641 393 H ASP 47 H ASP 47 -9.796 -6.364 -2.393 394 HA ASP 47 HA ASP 47 -8.254 -7.560 -0.295 395 HB2 ASP 47 2HB ASP 47 -10.320 -8.976 0.017 396 HB3 ASP 47 1HB ASP 47 -10.576 -7.234 0.123 397 H GLU 48 H GLU 48 -8.961 -8.347 -3.586 398 HA GLU 48 HA GLU 48 -8.630 -11.128 -3.526 399 HB2 GLU 48 2HB GLU 48 -9.273 -9.360 -5.452 400 HB3 GLU 48 1HB GLU 48 -7.602 -9.670 -5.891 401 HG2 GLU 48 2HG GLU 48 -7.991 -11.869 -6.409 402 HG3 GLU 48 1HG GLU 48 -9.412 -11.971 -5.367 403 H ILE 49 H ILE 49 -6.251 -8.541 -4.015 404 HA ILE 49 HA ILE 49 -4.121 -10.546 -3.657 405 HB ILE 49 HB ILE 49 -4.070 -9.465 -5.848 406 HG12 ILE 49 2HG1 ILE 49 -1.963 -10.017 -4.362 407 HG13 ILE 49 1HG1 ILE 49 -1.780 -9.204 -5.910 408 HG21 ILE 49 1HG2 ILE 49 -3.259 -6.944 -5.674 409 HG22 ILE 49 2HG2 ILE 49 -4.236 -7.005 -4.207 410 HG23 ILE 49 3HG2 ILE 49 -4.964 -7.383 -5.768 411 HD11 ILE 49 3HD1 ILE 49 -0.664 -8.377 -3.597 412 HD12 ILE 49 1HD1 ILE 49 -2.142 -7.417 -3.615 413 HD13 ILE 49 2HD1 ILE 49 -1.015 -7.324 -4.968 414 H LYS 50 H LYS 50 -5.640 -7.852 -2.254 415 HA LYS 50 HA LYS 50 -5.268 -6.750 -0.296 416 HB2 LYS 50 2HB LYS 50 -3.609 -9.094 -0.061 417 HB3 LYS 50 1HB LYS 50 -2.798 -7.715 0.669 418 HG2 LYS 50 2HG LYS 50 -4.039 -8.742 2.386 419 HG3 LYS 50 1HG LYS 50 -4.930 -7.285 1.941 420 HD2 LYS 50 2HD LYS 50 -6.439 -9.181 2.235 421 HD3 LYS 50 1HD LYS 50 -6.438 -8.627 0.560 422 HE2 LYS 50 2HE LYS 50 -5.111 -10.454 -0.142 423 HE3 LYS 50 1HE LYS 50 -4.705 -10.891 1.518 424 HZ1 LYS 50 3HZ LYS 50 -7.359 -11.142 0.211 425 HZ2 LYS 50 1HZ LYS 50 -7.081 -11.421 1.856 426 HZ3 LYS 50 2HZ LYS 50 -6.341 -12.403 0.695 427 H THR 51 H THR 51 -4.902 -4.927 -1.680 428 HA THR 51 HA THR 51 -2.213 -3.850 -1.351 429 HB THR 51 HB THR 51 -3.617 -4.080 -4.018 430 HG1 THR 51 1HG THR 51 -1.278 -5.179 -2.908 431 HG21 THR 51 3HG2 THR 51 -2.691 -2.029 -4.341 432 HG22 THR 51 1HG2 THR 51 -1.317 -3.053 -4.760 433 HG23 THR 51 2HG2 THR 51 -1.402 -2.299 -3.168 434 H PHE 52 H PHE 52 -2.488 -1.979 -0.346 435 HA PHE 52 HA PHE 52 -4.967 -0.486 -0.654 436 HB2 PHE 52 2HB PHE 52 -2.841 -0.660 1.344 437 HB3 PHE 52 1HB PHE 52 -3.305 1.001 1.000 438 HD1 PHE 52 2HD PHE 52 -6.168 0.759 0.488 439 HD2 PHE 52 1HD PHE 52 -3.741 -1.154 3.420 440 HE1 PHE 52 2HE PHE 52 -8.132 0.514 1.950 441 HE2 PHE 52 1HE PHE 52 -5.702 -1.402 4.881 442 HZ PHE 52 HZ PHE 52 -7.900 -0.568 4.150 443 H THR 53 H THR 53 -5.163 1.405 -1.773 444 HA THR 53 HA THR 53 -2.712 2.659 -2.787 445 HB THR 53 HB THR 53 -3.909 2.959 -4.999 446 HG1 THR 53 1HG THR 53 -5.602 1.531 -5.414 447 HG21 THR 53 3HG2 THR 53 -2.148 1.212 -4.571 448 HG22 THR 53 1HG2 THR 53 -3.262 0.890 -5.899 449 HG23 THR 53 2HG2 THR 53 -3.470 0.065 -4.354 450 H VAL 54 H VAL 54 -2.745 4.838 -2.922 451 HA VAL 54 HA VAL 54 -5.278 6.187 -2.250 452 HB VAL 54 HB VAL 54 -2.504 7.062 -1.425 453 HG11 VAL 54 1HG1 VAL 54 -3.403 9.052 -1.032 454 HG12 VAL 54 2HG1 VAL 54 -4.544 8.311 0.090 455 HG13 VAL 54 3HG1 VAL 54 -4.968 8.483 -1.613 456 HG21 VAL 54 3HG2 VAL 54 -3.805 6.609 0.892 457 HG22 VAL 54 1HG2 VAL 54 -2.776 5.418 0.096 458 HG23 VAL 54 2HG2 VAL 54 -4.525 5.358 -0.121 459 H THR 55 H THR 55 -5.899 6.890 -4.219 460 HA THR 55 HA THR 55 -3.964 8.198 -5.970 461 HB THR 55 HB THR 55 -6.302 8.348 -7.329 462 HG1 THR 55 1HG THR 55 -6.498 5.941 -5.854 463 HG21 THR 55 3HG2 THR 55 -4.757 7.287 -8.574 464 HG22 THR 55 1HG2 THR 55 -5.658 5.865 -8.049 465 HG23 THR 55 2HG2 THR 55 -4.167 6.320 -7.222 466 H GLU 56 H GLU 56 -4.694 10.227 -7.082 467 HA GLU 56 HA GLU 56 -5.133 12.254 -5.197 468 HB2 GLU 56 2HB GLU 56 -5.291 13.762 -7.107 469 HB3 GLU 56 1HB GLU 56 -3.970 12.628 -7.329 470 HG2 GLU 56 2HG GLU 56 -5.007 11.538 -9.046 471 HG3 GLU 56 1HG GLU 56 -6.622 11.947 -8.480 Start of MODEL 7 1 H1 THR 1 1HT THR 1 2.444 -14.002 3.581 2 H2 THR 1 2HT THR 1 0.984 -14.202 4.462 3 H3 THR 1 3HT THR 1 1.941 -12.796 4.691 4 HA THR 1 HA THR 1 0.778 -13.518 2.098 5 HB THR 1 HB THR 1 -1.017 -13.371 3.758 6 HG1 THR 1 1HG THR 1 -0.895 -10.991 2.225 7 HG21 THR 1 3HG2 THR 1 -1.036 -11.963 5.457 8 HG22 THR 1 1HG2 THR 1 -0.904 -10.582 4.367 9 HG23 THR 1 2HG2 THR 1 0.552 -11.385 4.952 10 H THR 2 H THR 2 1.215 -12.032 0.549 11 HA THR 2 HA THR 2 3.095 -9.916 1.244 12 HB THR 2 HB THR 2 2.176 -10.680 -1.525 13 HG1 THR 2 1HG THR 2 4.383 -11.762 -0.115 14 HG21 THR 2 3HG2 THR 2 3.672 -8.596 -0.923 15 HG22 THR 2 1HG2 THR 2 3.982 -9.585 -2.350 16 HG23 THR 2 2HG2 THR 2 4.939 -9.823 -0.887 17 H TYR 3 H TYR 3 2.576 -7.827 1.336 18 HA TYR 3 HA TYR 3 -0.048 -7.008 0.265 19 HB2 TYR 3 2HB TYR 3 1.140 -6.667 2.882 20 HB3 TYR 3 1HB TYR 3 0.745 -5.105 2.171 21 HD1 TYR 3 1HD TYR 3 -1.571 -4.515 1.674 22 HD2 TYR 3 2HD TYR 3 -0.602 -8.242 3.494 23 HE1 TYR 3 1HE TYR 3 -3.929 -4.821 2.293 24 HE2 TYR 3 2HE TYR 3 -2.957 -8.555 4.111 25 HH TYR 3 HH TYR 3 -5.177 -7.777 3.379 26 H LYS 4 H LYS 4 -0.003 -5.577 -1.344 27 HA LYS 4 HA LYS 4 2.469 -4.036 -1.767 28 HB2 LYS 4 2HB LYS 4 1.526 -5.730 -3.515 29 HB3 LYS 4 1HB LYS 4 0.390 -4.441 -3.888 30 HG2 LYS 4 2HG LYS 4 1.911 -3.291 -5.032 31 HG3 LYS 4 1HG LYS 4 3.136 -3.503 -3.781 32 HD2 LYS 4 2HD LYS 4 4.049 -4.613 -5.610 33 HD3 LYS 4 1HD LYS 4 3.313 -5.917 -4.676 34 HE2 LYS 4 2HE LYS 4 2.369 -6.485 -6.631 35 HE3 LYS 4 1HE LYS 4 1.243 -5.177 -6.268 36 HZ1 LYS 4 3HZ LYS 4 2.394 -5.227 -8.547 37 HZ2 LYS 4 1HZ LYS 4 3.746 -4.628 -7.725 38 HZ3 LYS 4 2HZ LYS 4 2.300 -3.751 -7.726 39 H LEU 5 H LEU 5 2.202 -1.876 -2.773 40 HA LEU 5 HA LEU 5 -0.350 -0.584 -2.145 41 HB2 LEU 5 2HB LEU 5 1.762 -0.373 -0.430 42 HB3 LEU 5 1HB LEU 5 2.010 1.021 -1.468 43 HG LEU 5 HG LEU 5 -0.582 0.464 -0.025 44 HD11 LEU 5 1HD1 LEU 5 0.410 1.125 1.846 45 HD12 LEU 5 2HD1 LEU 5 0.666 2.698 1.094 46 HD13 LEU 5 3HD1 LEU 5 1.917 1.460 0.996 47 HD21 LEU 5 3HD2 LEU 5 -0.204 3.194 -0.568 48 HD22 LEU 5 1HD2 LEU 5 -1.366 2.098 -1.310 49 HD23 LEU 5 2HD2 LEU 5 0.217 2.335 -2.049 50 H ILE 6 H ILE 6 -0.910 1.080 -3.473 51 HA ILE 6 HA ILE 6 1.079 2.120 -5.326 52 HB ILE 6 HB ILE 6 -1.557 1.562 -6.557 53 HG12 ILE 6 2HG1 ILE 6 -0.962 -0.568 -5.375 54 HG13 ILE 6 1HG1 ILE 6 -1.033 -0.721 -7.127 55 HG21 ILE 6 1HG2 ILE 6 0.112 2.759 -7.803 56 HG22 ILE 6 2HG2 ILE 6 -0.128 1.173 -8.534 57 HG23 ILE 6 3HG2 ILE 6 1.291 1.475 -7.530 58 HD11 ILE 6 3HD1 ILE 6 1.628 -0.047 -6.288 59 HD12 ILE 6 1HD1 ILE 6 1.054 -1.443 -7.200 60 HD13 ILE 6 2HD1 ILE 6 1.047 -1.478 -5.437 61 H LEU 7 H LEU 7 1.063 4.197 -4.649 62 HA LEU 7 HA LEU 7 -1.549 5.510 -4.344 63 HB2 LEU 7 2HB LEU 7 1.070 6.585 -3.335 64 HB3 LEU 7 1HB LEU 7 -0.556 7.067 -2.866 65 HG LEU 7 HG LEU 7 -0.653 4.512 -2.081 66 HD11 LEU 7 1HD1 LEU 7 2.258 5.267 -1.991 67 HD12 LEU 7 2HD1 LEU 7 1.527 3.850 -2.745 68 HD13 LEU 7 3HD1 LEU 7 1.551 4.001 -0.988 69 HD21 LEU 7 3HD2 LEU 7 0.796 6.124 -0.125 70 HD22 LEU 7 1HD2 LEU 7 -0.822 5.428 -0.048 71 HD23 LEU 7 2HD2 LEU 7 -0.563 6.967 -0.867 72 H ASN 8 H ASN 8 -2.131 7.181 -5.584 73 HA ASN 8 HA ASN 8 -0.108 8.272 -7.435 74 HB2 ASN 8 2HB ASN 8 -1.770 6.839 -8.585 75 HB3 ASN 8 1HB ASN 8 -3.060 7.877 -7.980 76 HD21 ASN 8 1HD2 ASN 8 -3.020 10.119 -8.649 77 HD22 ASN 8 2HD2 ASN 8 -2.395 10.523 -10.210 78 H LEU 9 H LEU 9 0.206 10.400 -7.336 79 HA LEU 9 HA LEU 9 -1.944 12.106 -6.294 80 HB2 LEU 9 2HB LEU 9 0.129 13.380 -5.197 81 HB3 LEU 9 1HB LEU 9 -0.788 12.143 -4.346 82 HG LEU 9 HG LEU 9 1.568 11.242 -5.917 83 HD11 LEU 9 1HD1 LEU 9 2.173 12.150 -3.183 84 HD12 LEU 9 2HD1 LEU 9 1.977 13.420 -4.390 85 HD13 LEU 9 3HD1 LEU 9 3.179 12.151 -4.633 86 HD21 LEU 9 3HD2 LEU 9 1.706 10.027 -3.546 87 HD22 LEU 9 1HD2 LEU 9 0.683 9.451 -4.862 88 HD23 LEU 9 2HD2 LEU 9 -0.013 10.418 -3.562 89 H LYS 10 H LYS 10 1.433 12.897 -7.025 90 HA LYS 10 HA LYS 10 0.718 15.129 -8.607 91 HB2 LYS 10 2HB LYS 10 3.008 14.296 -7.373 92 HB3 LYS 10 1HB LYS 10 3.400 13.987 -9.059 93 HG2 LYS 10 2HG LYS 10 2.225 16.542 -8.963 94 HG3 LYS 10 1HG LYS 10 3.369 16.464 -7.624 95 HD2 LYS 10 2HD LYS 10 5.180 16.211 -9.006 96 HD3 LYS 10 1HD LYS 10 4.234 15.443 -10.284 97 HE2 LYS 10 2HE LYS 10 3.114 17.900 -10.258 98 HE3 LYS 10 1HE LYS 10 4.755 18.297 -9.747 99 HZ1 LYS 10 3HZ LYS 10 4.426 18.386 -12.178 100 HZ2 LYS 10 1HZ LYS 10 4.097 16.723 -12.177 101 HZ3 LYS 10 2HZ LYS 10 5.626 17.282 -11.715 102 H GLN 11 H GLN 11 2.604 12.300 -9.696 103 HA GLN 11 HA GLN 11 0.960 12.169 -12.112 104 HB2 GLN 11 2HB GLN 11 3.704 13.134 -11.987 105 HB3 GLN 11 1HB GLN 11 3.543 11.749 -13.066 106 HG2 GLN 11 2HG GLN 11 3.027 13.305 -14.582 107 HG3 GLN 11 1HG GLN 11 1.425 13.222 -13.848 108 HE21 GLN 11 1HE2 GLN 11 3.497 15.330 -15.012 109 HE22 GLN 11 2HE2 GLN 11 3.223 16.691 -13.975 110 H ALA 12 H ALA 12 4.071 10.715 -11.219 111 HA ALA 12 HA ALA 12 3.203 8.107 -11.964 112 HB1 ALA 12 1HB ALA 12 5.452 8.209 -12.228 113 HB2 ALA 12 2HB ALA 12 5.431 7.582 -10.579 114 HB3 ALA 12 3HB ALA 12 5.674 9.305 -10.865 115 H LYS 13 H LYS 13 3.045 6.248 -10.577 116 HA LYS 13 HA LYS 13 1.698 6.881 -8.086 117 HB2 LYS 13 2HB LYS 13 1.240 4.390 -8.072 118 HB3 LYS 13 1HB LYS 13 0.552 5.291 -9.416 119 HG2 LYS 13 2HG LYS 13 3.215 4.228 -9.965 120 HG3 LYS 13 1HG LYS 13 2.008 2.988 -9.619 121 HD2 LYS 13 2HD LYS 13 0.530 4.022 -11.322 122 HD3 LYS 13 1HD LYS 13 1.828 5.151 -11.715 123 HE2 LYS 13 2HE LYS 13 2.076 3.490 -13.318 124 HE3 LYS 13 1HE LYS 13 3.253 3.035 -12.087 125 HZ1 LYS 13 3HZ LYS 13 1.112 1.711 -11.234 126 HZ2 LYS 13 1HZ LYS 13 2.249 1.049 -12.298 127 HZ3 LYS 13 2HZ LYS 13 0.807 1.697 -12.898 128 H GLU 14 H GLU 14 2.158 5.595 -6.115 129 HA GLU 14 HA GLU 14 5.060 5.367 -5.757 130 HB2 GLU 14 2HB GLU 14 2.766 5.718 -3.840 131 HB3 GLU 14 1HB GLU 14 4.371 5.243 -3.284 132 HG2 GLU 14 2HG GLU 14 4.658 7.487 -4.996 133 HG3 GLU 14 1HG GLU 14 3.378 7.838 -3.836 134 H GLU 15 H GLU 15 6.050 3.505 -5.104 135 HA GLU 15 HA GLU 15 4.361 1.096 -5.094 136 HB2 GLU 15 2HB GLU 15 7.226 1.536 -5.906 137 HB3 GLU 15 1HB GLU 15 6.577 -0.071 -5.614 138 HG2 GLU 15 2HG GLU 15 4.787 1.274 -7.344 139 HG3 GLU 15 1HG GLU 15 6.421 1.520 -7.960 140 H ALA 16 H ALA 16 4.254 -0.138 -3.337 141 HA ALA 16 HA ALA 16 6.388 -0.135 -1.370 142 HB1 ALA 16 1HB ALA 16 5.293 0.830 0.375 143 HB2 ALA 16 2HB ALA 16 3.701 0.349 -0.214 144 HB3 ALA 16 3HB ALA 16 4.533 1.724 -0.942 145 H ILE 17 H ILE 17 6.744 -2.234 -1.060 146 HA ILE 17 HA ILE 17 4.412 -4.033 -0.898 147 HB ILE 17 HB ILE 17 6.058 -5.842 -1.616 148 HG12 ILE 17 2HG1 ILE 17 7.624 -3.820 -3.082 149 HG13 ILE 17 1HG1 ILE 17 7.926 -3.869 -1.348 150 HG21 ILE 17 1HG2 ILE 17 5.096 -3.667 -3.448 151 HG22 ILE 17 2HG2 ILE 17 4.363 -5.237 -3.122 152 HG23 ILE 17 3HG2 ILE 17 5.860 -5.138 -4.051 153 HD11 ILE 17 3HD1 ILE 17 8.667 -5.762 -3.444 154 HD12 ILE 17 1HD1 ILE 17 8.006 -6.508 -1.989 155 HD13 ILE 17 2HD1 ILE 17 9.411 -5.447 -1.875 156 H LYS 18 H LYS 18 4.143 -5.080 0.945 157 HA LYS 18 HA LYS 18 6.448 -5.741 2.602 158 HB2 LYS 18 2HB LYS 18 5.626 -4.763 4.581 159 HB3 LYS 18 1HB LYS 18 5.439 -3.519 3.355 160 HG2 LYS 18 2HG LYS 18 3.029 -4.450 3.137 161 HG3 LYS 18 1HG LYS 18 3.350 -5.156 4.722 162 HD2 LYS 18 2HD LYS 18 3.509 -2.232 3.991 163 HD3 LYS 18 1HD LYS 18 2.268 -3.002 4.981 164 HE2 LYS 18 2HE LYS 18 5.205 -2.814 5.647 165 HE3 LYS 18 1HE LYS 18 3.922 -1.839 6.359 166 HZ1 LYS 18 3HZ LYS 18 4.833 -4.340 7.185 167 HZ2 LYS 18 1HZ LYS 18 3.254 -4.557 6.620 168 HZ3 LYS 18 2HZ LYS 18 3.569 -3.429 7.840 169 H GLU 19 H GLU 19 6.318 -7.866 2.830 170 HA GLU 19 HA GLU 19 3.688 -9.136 2.961 171 HB2 GLU 19 2HB GLU 19 4.964 -11.245 2.526 172 HB3 GLU 19 1HB GLU 19 5.078 -10.056 1.236 173 HG2 GLU 19 2HG GLU 19 7.204 -9.762 3.183 174 HG3 GLU 19 1HG GLU 19 7.172 -11.371 2.461 175 H LEU 20 H LEU 20 3.007 -9.213 4.977 176 HA LEU 20 HA LEU 20 4.878 -10.031 7.091 177 HB2 LEU 20 2HB LEU 20 3.045 -7.924 6.982 178 HB3 LEU 20 1HB LEU 20 2.300 -9.108 8.037 179 HG LEU 20 HG LEU 20 4.866 -9.025 9.004 180 HD11 LEU 20 1HD1 LEU 20 4.106 -6.280 8.035 181 HD12 LEU 20 2HD1 LEU 20 5.573 -7.189 7.675 182 HD13 LEU 20 3HD1 LEU 20 5.296 -6.572 9.304 183 HD21 LEU 20 3HD2 LEU 20 3.573 -7.182 10.552 184 HD22 LEU 20 1HD2 LEU 20 3.420 -8.931 10.713 185 HD23 LEU 20 2HD2 LEU 20 2.229 -8.024 9.781 186 H VAL 21 H VAL 21 3.060 -10.853 9.000 187 HA VAL 21 HA VAL 21 2.111 -13.364 7.811 188 HB VAL 21 HB VAL 21 2.034 -14.141 10.228 189 HG11 VAL 21 1HG1 VAL 21 4.417 -13.592 8.577 190 HG12 VAL 21 2HG1 VAL 21 3.800 -15.117 9.213 191 HG13 VAL 21 3HG1 VAL 21 4.720 -14.034 10.257 192 HG21 VAL 21 3HG2 VAL 21 4.011 -12.081 10.954 193 HG22 VAL 21 1HG2 VAL 21 2.767 -12.859 11.933 194 HG23 VAL 21 2HG2 VAL 21 2.338 -11.533 10.852 195 H ASP 22 H ASP 22 0.663 -10.674 7.962 196 HA ASP 22 HA ASP 22 -1.909 -11.695 8.397 197 HB2 ASP 22 2HB ASP 22 -0.570 -10.526 10.733 198 HB3 ASP 22 1HB ASP 22 -2.150 -9.825 10.391 199 H ALA 23 H ALA 23 -3.454 -10.382 7.617 200 HA ALA 23 HA ALA 23 -2.621 -8.168 6.019 201 HB1 ALA 23 1HB ALA 23 -5.079 -8.020 5.486 202 HB2 ALA 23 2HB ALA 23 -5.312 -9.396 6.563 203 HB3 ALA 23 3HB ALA 23 -4.310 -9.565 5.122 204 H GLY 24 H GLY 24 -3.217 -8.297 9.259 205 HA2 GLY 24 2HA GLY 24 -4.709 -5.821 9.483 206 HA3 GLY 24 1HA GLY 24 -4.106 -6.801 10.812 207 H THR 25 H THR 25 -1.588 -6.886 10.835 208 HA THR 25 HA THR 25 -0.640 -4.351 11.473 209 HB THR 25 HB THR 25 1.249 -6.488 10.552 210 HG1 THR 25 1HG THR 25 0.211 -7.835 11.780 211 HG21 THR 25 3HG2 THR 25 1.464 -5.169 13.182 212 HG22 THR 25 1HG2 THR 25 1.784 -4.183 11.758 213 HG23 THR 25 2HG2 THR 25 2.719 -5.649 12.044 214 H ALA 26 H ALA 26 -0.351 -6.210 8.484 215 HA ALA 26 HA ALA 26 1.340 -4.367 7.145 216 HB1 ALA 26 1HB ALA 26 0.141 -5.641 5.106 217 HB2 ALA 26 2HB ALA 26 -0.212 -6.770 6.414 218 HB3 ALA 26 3HB ALA 26 1.458 -6.343 6.046 219 H GLU 27 H GLU 27 -2.151 -4.752 7.438 220 HA GLU 27 HA GLU 27 -2.812 -2.821 5.439 221 HB2 GLU 27 2HB GLU 27 -4.508 -4.377 5.980 222 HB3 GLU 27 1HB GLU 27 -4.350 -4.079 7.704 223 HG2 GLU 27 2HG GLU 27 -5.888 -2.489 7.643 224 HG3 GLU 27 1HG GLU 27 -5.072 -1.662 6.318 225 H LYS 28 H LYS 28 -2.240 -2.698 8.897 226 HA LYS 28 HA LYS 28 -3.033 0.054 9.155 227 HB2 LYS 28 2HB LYS 28 -1.483 -1.695 11.070 228 HB3 LYS 28 1HB LYS 28 -2.219 -0.143 11.454 229 HG2 LYS 28 2HG LYS 28 -4.265 -1.730 10.373 230 HG3 LYS 28 1HG LYS 28 -3.374 -2.763 11.486 231 HD2 LYS 28 2HD LYS 28 -3.542 -0.741 13.100 232 HD3 LYS 28 1HD LYS 28 -4.837 -0.204 12.025 233 HE2 LYS 28 2HE LYS 28 -4.981 -3.021 12.858 234 HE3 LYS 28 1HE LYS 28 -5.188 -1.846 14.155 235 HZ1 LYS 28 3HZ LYS 28 -7.289 -2.495 13.075 236 HZ2 LYS 28 1HZ LYS 28 -6.733 -1.830 11.616 237 HZ3 LYS 28 2HZ LYS 28 -6.985 -0.835 12.965 238 H TYR 29 H TYR 29 0.068 -1.695 9.211 239 HA TYR 29 HA TYR 29 1.771 0.449 9.619 240 HB2 TYR 29 2HB TYR 29 2.277 -2.095 9.424 241 HB3 TYR 29 1HB TYR 29 2.498 -1.755 7.705 242 HD1 TYR 29 1HD TYR 29 4.024 0.472 7.331 243 HD2 TYR 29 2HD TYR 29 4.199 -2.146 10.679 244 HE1 TYR 29 1HE TYR 29 6.332 1.197 7.769 245 HE2 TYR 29 2HE TYR 29 6.509 -1.428 11.127 246 HH TYR 29 HH TYR 29 8.318 0.442 8.890 247 H PHE 30 H PHE 30 0.380 -0.743 6.590 248 HA PHE 30 HA PHE 30 1.783 1.083 4.926 249 HB2 PHE 30 2HB PHE 30 -0.338 -0.926 4.603 250 HB3 PHE 30 1HB PHE 30 -0.476 0.439 3.500 251 HD1 PHE 30 1HD PHE 30 2.567 0.924 3.270 252 HD2 PHE 30 2HD PHE 30 0.150 -2.568 2.973 253 HE1 PHE 30 1HE PHE 30 4.242 -0.105 1.797 254 HE2 PHE 30 2HE PHE 30 1.824 -3.601 1.498 255 HZ PHE 30 HZ PHE 30 3.873 -2.371 0.909 256 H LYS 31 H LYS 31 -1.483 1.061 6.312 257 HA LYS 31 HA LYS 31 -2.405 3.428 5.144 258 HB2 LYS 31 2HB LYS 31 -3.450 1.552 6.857 259 HB3 LYS 31 1HB LYS 31 -3.337 2.971 7.890 260 HG2 LYS 31 2HG LYS 31 -4.713 4.243 6.413 261 HG3 LYS 31 1HG LYS 31 -4.680 2.964 5.198 262 HD2 LYS 31 2HD LYS 31 -5.617 1.636 7.394 263 HD3 LYS 31 1HD LYS 31 -6.328 3.237 7.606 264 HE2 LYS 31 2HE LYS 31 -6.489 2.151 4.879 265 HE3 LYS 31 1HE LYS 31 -7.403 1.255 6.092 266 HZ1 LYS 31 3HZ LYS 31 -7.624 4.181 5.641 267 HZ2 LYS 31 1HZ LYS 31 -8.568 3.248 6.692 268 HZ3 LYS 31 2HZ LYS 31 -8.697 3.031 5.019 269 H LEU 32 H LEU 32 -0.342 2.864 7.901 270 HA LEU 32 HA LEU 32 -0.501 5.474 9.009 271 HB2 LEU 32 2HB LEU 32 0.265 3.582 10.322 272 HB3 LEU 32 1HB LEU 32 1.626 3.346 9.243 273 HG LEU 32 HG LEU 32 1.997 5.939 10.043 274 HD11 LEU 32 1HD1 LEU 32 1.562 6.194 12.320 275 HD12 LEU 32 2HD1 LEU 32 1.242 4.475 12.543 276 HD13 LEU 32 3HD1 LEU 32 0.080 5.481 11.680 277 HD21 LEU 32 3HD2 LEU 32 3.876 4.636 10.030 278 HD22 LEU 32 1HD2 LEU 32 3.094 3.299 10.870 279 HD23 LEU 32 2HD2 LEU 32 3.590 4.738 11.758 280 H ILE 33 H ILE 33 2.180 3.912 7.244 281 HA ILE 33 HA ILE 33 3.670 6.237 6.827 282 HB ILE 33 HB ILE 33 4.587 3.978 6.519 283 HG12 ILE 33 2HG1 ILE 33 5.802 4.444 4.342 284 HG13 ILE 33 1HG1 ILE 33 4.759 5.851 4.154 285 HG21 ILE 33 1HG2 ILE 33 3.153 3.876 3.879 286 HG22 ILE 33 2HG2 ILE 33 2.520 3.120 5.341 287 HG23 ILE 33 3HG2 ILE 33 4.068 2.598 4.677 288 HD11 ILE 33 3HD1 ILE 33 7.078 5.438 5.889 289 HD12 ILE 33 1HD1 ILE 33 5.708 6.235 6.661 290 HD13 ILE 33 2HD1 ILE 33 6.417 6.921 5.199 291 H ALA 34 H ALA 34 1.252 4.676 4.742 292 HA ALA 34 HA ALA 34 1.480 6.302 2.506 293 HB1 ALA 34 1HB ALA 34 -0.850 4.808 3.667 294 HB2 ALA 34 2HB ALA 34 0.159 4.380 2.285 295 HB3 ALA 34 3HB ALA 34 -0.981 5.720 2.164 296 H ASN 35 H ASN 35 -0.176 6.879 5.544 297 HA ASN 35 HA ASN 35 -1.528 9.240 4.619 298 HB2 ASN 35 2HB ASN 35 -2.270 7.676 6.515 299 HB3 ASN 35 1HB ASN 35 -1.069 8.503 7.502 300 HD21 ASN 35 1HD2 ASN 35 -1.705 10.243 8.552 301 HD22 ASN 35 2HD2 ASN 35 -3.118 11.173 8.204 302 H ALA 36 H ALA 36 1.588 8.520 5.890 303 HA ALA 36 HA ALA 36 2.074 11.306 6.632 304 HB1 ALA 36 1HB ALA 36 3.046 10.108 8.288 305 HB2 ALA 36 2HB ALA 36 4.412 10.137 7.172 306 HB3 ALA 36 3HB ALA 36 3.366 8.719 7.249 307 H LYS 37 H LYS 37 2.497 9.240 3.961 308 HA LYS 37 HA LYS 37 4.737 10.827 2.934 309 HB2 LYS 37 2HB LYS 37 4.896 9.095 1.175 310 HB3 LYS 37 1HB LYS 37 5.069 8.438 2.797 311 HG2 LYS 37 2HG LYS 37 3.281 7.128 2.577 312 HG3 LYS 37 1HG LYS 37 2.318 8.408 1.841 313 HD2 LYS 37 2HD LYS 37 2.641 7.570 -0.197 314 HD3 LYS 37 1HD LYS 37 4.390 7.531 0.038 315 HE2 LYS 37 2HE LYS 37 2.424 5.429 0.947 316 HE3 LYS 37 1HE LYS 37 3.512 5.303 -0.435 317 HZ1 LYS 37 3HZ LYS 37 4.818 4.288 1.068 318 HZ2 LYS 37 1HZ LYS 37 4.076 5.024 2.398 319 HZ3 LYS 37 2HZ LYS 37 5.240 5.866 1.506 320 H THR 38 H THR 38 1.370 10.049 2.312 321 HA THR 38 HA THR 38 0.866 12.397 0.902 322 HB THR 38 HB THR 38 2.203 11.527 -0.895 323 HG1 THR 38 1HG THR 38 -0.524 11.116 -1.550 324 HG21 THR 38 3HG2 THR 38 1.232 9.012 -0.109 325 HG22 THR 38 1HG2 THR 38 2.391 9.386 -1.384 326 HG23 THR 38 2HG2 THR 38 0.671 9.289 -1.759 327 H VAL 39 H VAL 39 -1.236 12.760 1.110 328 HA VAL 39 HA VAL 39 -3.232 10.795 0.584 329 HB VAL 39 HB VAL 39 -4.199 11.175 3.024 330 HG11 VAL 39 1HG1 VAL 39 -3.631 8.978 3.512 331 HG12 VAL 39 2HG1 VAL 39 -2.054 9.108 2.736 332 HG13 VAL 39 3HG1 VAL 39 -3.516 9.040 1.753 333 HG21 VAL 39 3HG2 VAL 39 -1.214 11.301 3.440 334 HG22 VAL 39 1HG2 VAL 39 -2.406 11.031 4.711 335 HG23 VAL 39 2HG2 VAL 39 -2.382 12.554 3.834 336 H GLU 40 H GLU 40 -4.125 12.329 -0.758 337 HA GLU 40 HA GLU 40 -5.676 14.387 0.576 338 HB2 GLU 40 2HB GLU 40 -3.294 15.191 -0.350 339 HB3 GLU 40 1HB GLU 40 -4.223 15.323 -1.844 340 HG2 GLU 40 2HG GLU 40 -5.365 17.107 -1.124 341 HG3 GLU 40 1HG GLU 40 -5.493 16.499 0.525 342 H GLY 41 H GLY 41 -6.070 11.854 -1.001 343 HA2 GLY 41 2HA GLY 41 -8.049 12.977 -2.860 344 HA3 GLY 41 1HA GLY 41 -6.914 11.769 -3.453 345 H VAL 42 H VAL 42 -8.257 10.096 -3.863 346 HA VAL 42 HA VAL 42 -10.074 9.209 -1.733 347 HB VAL 42 HB VAL 42 -11.090 9.541 -3.944 348 HG11 VAL 42 1HG1 VAL 42 -10.527 8.082 -5.812 349 HG12 VAL 42 2HG1 VAL 42 -9.241 7.349 -4.857 350 HG13 VAL 42 3HG1 VAL 42 -9.132 9.039 -5.318 351 HG21 VAL 42 3HG2 VAL 42 -11.202 6.615 -3.747 352 HG22 VAL 42 1HG2 VAL 42 -12.498 7.809 -3.679 353 HG23 VAL 42 2HG2 VAL 42 -11.519 7.487 -2.248 354 H TRP 43 H TRP 43 -10.029 7.122 -0.933 355 HA TRP 43 HA TRP 43 -7.502 5.702 -1.378 356 HB2 TRP 43 2HB TRP 43 -9.381 5.939 0.926 357 HB3 TRP 43 1HB TRP 43 -8.459 4.442 0.760 358 HD1 TRP 43 HD TRP 43 -7.705 8.259 0.826 359 HE1 TRP 43 1HE TRP 43 -5.476 8.596 2.068 360 HE3 TRP 43 3HE TRP 43 -6.520 3.365 1.714 361 HZ2 TRP 43 2HZ TRP 43 -3.479 6.999 3.264 362 HZ3 TRP 43 3HZ TRP 43 -4.432 2.856 2.912 363 HH2 TRP 43 HH TRP 43 -2.944 4.637 3.669 364 H THR 44 H THR 44 -7.478 3.874 -2.493 365 HA THR 44 HA THR 44 -10.001 2.382 -2.803 366 HB THR 44 HB THR 44 -8.805 1.578 -4.986 367 HG1 THR 44 1HG THR 44 -7.461 3.218 -5.841 368 HG21 THR 44 3HG2 THR 44 -10.713 3.490 -4.529 369 HG22 THR 44 1HG2 THR 44 -10.228 2.863 -6.104 370 HG23 THR 44 2HG2 THR 44 -9.508 4.350 -5.487 371 H TYR 45 H TYR 45 -9.965 0.184 -2.550 372 HA TYR 45 HA TYR 45 -7.373 -1.049 -1.900 373 HB2 TYR 45 2HB TYR 45 -8.583 -0.571 0.186 374 HB3 TYR 45 1HB TYR 45 -9.975 -1.478 -0.413 375 HD1 TYR 45 2HD TYR 45 -6.482 -1.760 0.746 376 HD2 TYR 45 1HD TYR 45 -10.025 -3.863 -0.310 377 HE1 TYR 45 2HE TYR 45 -5.538 -3.816 1.703 378 HE2 TYR 45 1HE TYR 45 -9.091 -5.927 0.645 379 HH TYR 45 HH TYR 45 -5.804 -6.217 1.537 380 H LYS 46 H LYS 46 -7.174 -3.266 -2.361 381 HA LYS 46 HA LYS 46 -9.346 -4.448 -3.949 382 HB2 LYS 46 2HB LYS 46 -7.174 -3.418 -5.165 383 HB3 LYS 46 1HB LYS 46 -6.569 -5.037 -4.810 384 HG2 LYS 46 2HG LYS 46 -7.461 -5.330 -6.900 385 HG3 LYS 46 1HG LYS 46 -8.820 -5.805 -5.878 386 HD2 LYS 46 2HD LYS 46 -8.690 -2.941 -6.534 387 HD3 LYS 46 1HD LYS 46 -8.977 -4.011 -7.908 388 HE2 LYS 46 2HE LYS 46 -10.559 -4.629 -5.518 389 HE3 LYS 46 1HE LYS 46 -10.903 -3.058 -6.241 390 HZ1 LYS 46 3HZ LYS 46 -11.686 -4.002 -8.151 391 HZ2 LYS 46 1HZ LYS 46 -12.129 -5.207 -7.048 392 HZ3 LYS 46 2HZ LYS 46 -10.735 -5.396 -7.999 393 H ASP 47 H ASP 47 -9.964 -6.198 -2.879 394 HA ASP 47 HA ASP 47 -8.228 -7.603 -1.084 395 HB2 ASP 47 2HB ASP 47 -10.962 -7.297 -1.297 396 HB3 ASP 47 1HB ASP 47 -10.711 -8.973 -1.783 397 H GLU 48 H GLU 48 -8.530 -7.695 -4.386 398 HA GLU 48 HA GLU 48 -8.576 -10.394 -5.049 399 HB2 GLU 48 2HB GLU 48 -7.131 -8.098 -6.376 400 HB3 GLU 48 1HB GLU 48 -7.296 -9.695 -7.091 401 HG2 GLU 48 2HG GLU 48 -9.803 -9.378 -6.843 402 HG3 GLU 48 1HG GLU 48 -9.435 -7.682 -6.509 403 H ILE 49 H ILE 49 -5.797 -8.324 -4.261 404 HA ILE 49 HA ILE 49 -4.303 -10.724 -3.508 405 HB ILE 49 HB ILE 49 -2.239 -9.682 -4.585 406 HG12 ILE 49 2HG1 ILE 49 -3.445 -7.486 -5.035 407 HG13 ILE 49 1HG1 ILE 49 -2.507 -8.142 -6.373 408 HG21 ILE 49 1HG2 ILE 49 -4.420 -11.195 -5.831 409 HG22 ILE 49 2HG2 ILE 49 -2.701 -11.569 -5.705 410 HG23 ILE 49 3HG2 ILE 49 -3.275 -10.473 -6.962 411 HD11 ILE 49 3HD1 ILE 49 -5.214 -7.381 -6.344 412 HD12 ILE 49 1HD1 ILE 49 -5.171 -9.133 -6.543 413 HD13 ILE 49 2HD1 ILE 49 -4.294 -8.095 -7.668 414 H LYS 50 H LYS 50 -5.598 -8.453 -2.084 415 HA LYS 50 HA LYS 50 -5.190 -7.016 -0.364 416 HB2 LYS 50 2HB LYS 50 -3.016 -9.056 -0.133 417 HB3 LYS 50 1HB LYS 50 -2.993 -7.658 0.934 418 HG2 LYS 50 2HG LYS 50 -4.161 -9.125 2.223 419 HG3 LYS 50 1HG LYS 50 -5.493 -8.356 1.358 420 HD2 LYS 50 2HD LYS 50 -4.730 -10.415 -0.320 421 HD3 LYS 50 1HD LYS 50 -4.567 -11.115 1.291 422 HE2 LYS 50 2HE LYS 50 -7.023 -9.558 0.669 423 HE3 LYS 50 1HE LYS 50 -6.860 -11.169 -0.028 424 HZ1 LYS 50 3HZ LYS 50 -8.004 -11.294 2.067 425 HZ2 LYS 50 1HZ LYS 50 -6.749 -10.481 2.860 426 HZ3 LYS 50 2HZ LYS 50 -6.489 -12.028 2.226 427 H THR 51 H THR 51 -4.896 -5.212 -1.776 428 HA THR 51 HA THR 51 -2.210 -4.101 -1.583 429 HB THR 51 HB THR 51 -3.716 -4.306 -4.197 430 HG1 THR 51 1HG THR 51 -1.269 -5.446 -3.334 431 HG21 THR 51 3HG2 THR 51 -1.820 -3.250 -5.244 432 HG22 THR 51 1HG2 THR 51 -1.026 -3.064 -3.679 433 HG23 THR 51 2HG2 THR 51 -2.511 -2.178 -4.025 434 H PHE 52 H PHE 52 -2.437 -2.198 -0.641 435 HA PHE 52 HA PHE 52 -4.945 -0.736 -0.840 436 HB2 PHE 52 2HB PHE 52 -2.852 -0.963 1.102 437 HB3 PHE 52 1HB PHE 52 -3.000 0.729 0.640 438 HD1 PHE 52 1HD PHE 52 -5.854 1.014 0.153 439 HD2 PHE 52 2HD PHE 52 -3.810 -1.149 3.199 440 HE1 PHE 52 1HE PHE 52 -7.810 1.248 1.627 441 HE2 PHE 52 2HE PHE 52 -5.764 -0.920 4.673 442 HZ PHE 52 HZ PHE 52 -7.767 0.280 3.890 443 H THR 53 H THR 53 -5.132 1.363 -1.713 444 HA THR 53 HA THR 53 -2.779 2.491 -3.011 445 HB THR 53 HB THR 53 -4.207 2.832 -5.116 446 HG1 THR 53 1HG THR 53 -5.633 0.719 -3.874 447 HG21 THR 53 3HG2 THR 53 -3.423 0.908 -6.128 448 HG22 THR 53 1HG2 THR 53 -3.599 -0.057 -4.663 449 HG23 THR 53 2HG2 THR 53 -2.306 1.137 -4.782 450 H VAL 54 H VAL 54 -2.751 4.658 -3.051 451 HA VAL 54 HA VAL 54 -5.217 6.064 -2.253 452 HB VAL 54 HB VAL 54 -2.413 6.968 -1.595 453 HG11 VAL 54 1HG1 VAL 54 -4.378 8.606 -1.740 454 HG12 VAL 54 2HG1 VAL 54 -3.400 8.624 -0.272 455 HG13 VAL 54 3HG1 VAL 54 -4.969 7.820 -0.276 456 HG21 VAL 54 3HG2 VAL 54 -4.369 5.419 0.098 457 HG22 VAL 54 1HG2 VAL 54 -2.943 6.242 0.730 458 HG23 VAL 54 2HG2 VAL 54 -2.759 4.912 -0.413 459 H THR 55 H THR 55 -5.914 6.822 -4.178 460 HA THR 55 HA THR 55 -4.020 8.166 -5.957 461 HB THR 55 HB THR 55 -6.919 7.425 -6.405 462 HG1 THR 55 1HG THR 55 -5.299 5.690 -6.225 463 HG21 THR 55 3HG2 THR 55 -4.873 8.676 -8.175 464 HG22 THR 55 1HG2 THR 55 -6.573 9.091 -7.952 465 HG23 THR 55 2HG2 THR 55 -6.132 7.645 -8.851 466 H GLU 56 H GLU 56 -4.656 10.227 -6.934 467 HA GLU 56 HA GLU 56 -5.299 12.152 -4.979 468 HB2 GLU 56 2HB GLU 56 -3.918 12.509 -7.066 469 HB3 GLU 56 1HB GLU 56 -5.426 12.555 -7.969 470 HG2 GLU 56 2HG GLU 56 -5.830 14.348 -5.909 471 HG3 GLU 56 1HG GLU 56 -4.150 14.606 -6.380 Start of MODEL 8 1 H1 THR 1 1HT THR 1 0.877 -12.033 4.546 2 H2 THR 1 2HT THR 1 2.215 -13.107 4.588 3 H3 THR 1 3HT THR 1 0.624 -13.721 4.392 4 HA THR 1 HA THR 1 2.040 -13.619 2.370 5 HB THR 1 HB THR 1 -0.383 -13.921 2.336 6 HG1 THR 1 1HG THR 1 0.806 -13.427 0.354 7 HG21 THR 1 3HG2 THR 1 -0.898 -11.813 3.636 8 HG22 THR 1 1HG2 THR 1 -1.961 -12.193 2.279 9 HG23 THR 1 2HG2 THR 1 -0.718 -10.952 2.107 10 H THR 2 H THR 2 2.326 -12.139 0.460 11 HA THR 2 HA THR 2 3.684 -9.753 1.345 12 HB THR 2 HB THR 2 3.732 -9.737 -1.429 13 HG1 THR 2 1HG THR 2 3.992 -12.423 -0.582 14 HG21 THR 2 3HG2 THR 2 5.671 -11.207 0.336 15 HG22 THR 2 1HG2 THR 2 5.666 -9.462 0.081 16 HG23 THR 2 2HG2 THR 2 5.976 -10.549 -1.272 17 H TYR 3 H TYR 3 2.828 -7.786 1.438 18 HA TYR 3 HA TYR 3 0.241 -7.320 0.144 19 HB2 TYR 3 2HB TYR 3 1.364 -6.545 2.638 20 HB3 TYR 3 1HB TYR 3 1.092 -5.077 1.709 21 HD1 TYR 3 1HD TYR 3 -1.168 -4.398 1.095 22 HD2 TYR 3 2HD TYR 3 -0.481 -7.923 3.383 23 HE1 TYR 3 1HE TYR 3 -3.549 -4.462 1.702 24 HE2 TYR 3 2HE TYR 3 -2.861 -7.996 3.989 25 HH TYR 3 HH TYR 3 -4.827 -5.732 4.006 26 H LYS 4 H LYS 4 -0.146 -5.431 -1.109 27 HA LYS 4 HA LYS 4 2.281 -4.177 -2.210 28 HB2 LYS 4 2HB LYS 4 0.126 -5.636 -3.583 29 HB3 LYS 4 1HB LYS 4 0.522 -4.083 -4.304 30 HG2 LYS 4 2HG LYS 4 2.123 -5.167 -5.398 31 HG3 LYS 4 1HG LYS 4 2.993 -5.201 -3.865 32 HD2 LYS 4 2HD LYS 4 1.020 -7.329 -4.077 33 HD3 LYS 4 1HD LYS 4 2.228 -7.395 -5.361 34 HE2 LYS 4 2HE LYS 4 3.311 -6.876 -2.684 35 HE3 LYS 4 1HE LYS 4 2.539 -8.450 -2.870 36 HZ1 LYS 4 3HZ LYS 4 4.927 -7.382 -4.196 37 HZ2 LYS 4 1HZ LYS 4 3.974 -8.503 -5.033 38 HZ3 LYS 4 2HZ LYS 4 4.655 -8.918 -3.542 39 H LEU 5 H LEU 5 2.054 -2.015 -2.956 40 HA LEU 5 HA LEU 5 -0.456 -0.679 -2.271 41 HB2 LEU 5 2HB LEU 5 1.729 -0.573 -0.595 42 HB3 LEU 5 1HB LEU 5 1.881 0.899 -1.541 43 HG LEU 5 HG LEU 5 -0.678 1.161 -0.901 44 HD11 LEU 5 1HD1 LEU 5 -0.373 0.339 1.721 45 HD12 LEU 5 2HD1 LEU 5 0.243 -1.017 0.775 46 HD13 LEU 5 3HD1 LEU 5 -1.391 -0.415 0.495 47 HD21 LEU 5 3HD2 LEU 5 0.415 2.128 1.393 48 HD22 LEU 5 1HD2 LEU 5 0.456 2.951 -0.166 49 HD23 LEU 5 2HD2 LEU 5 1.836 1.988 0.359 50 H ILE 6 H ILE 6 -0.998 1.009 -3.543 51 HA ILE 6 HA ILE 6 0.997 2.097 -5.363 52 HB ILE 6 HB ILE 6 -1.639 1.600 -6.616 53 HG12 ILE 6 2HG1 ILE 6 0.413 -0.600 -6.273 54 HG13 ILE 6 1HG1 ILE 6 -1.188 -0.570 -5.542 55 HG21 ILE 6 1HG2 ILE 6 0.286 2.800 -7.676 56 HG22 ILE 6 2HG2 ILE 6 -0.357 1.449 -8.610 57 HG23 ILE 6 3HG2 ILE 6 1.145 1.260 -7.703 58 HD11 ILE 6 3HD1 ILE 6 -1.670 -0.225 -8.245 59 HD12 ILE 6 1HD1 ILE 6 -1.885 -1.705 -7.311 60 HD13 ILE 6 2HD1 ILE 6 -0.374 -1.420 -8.175 61 H LEU 7 H LEU 7 0.981 4.122 -4.525 62 HA LEU 7 HA LEU 7 -1.603 5.428 -4.100 63 HB2 LEU 7 2HB LEU 7 1.086 6.531 -3.337 64 HB3 LEU 7 1HB LEU 7 -0.494 6.992 -2.715 65 HG LEU 7 HG LEU 7 -0.464 4.409 -1.961 66 HD11 LEU 7 1HD1 LEU 7 1.648 3.744 -2.682 67 HD12 LEU 7 2HD1 LEU 7 1.890 4.110 -0.974 68 HD13 LEU 7 3HD1 LEU 7 2.397 5.267 -2.203 69 HD21 LEU 7 3HD2 LEU 7 -0.086 5.180 0.219 70 HD22 LEU 7 1HD2 LEU 7 -0.765 6.566 -0.633 71 HD23 LEU 7 2HD2 LEU 7 0.970 6.480 -0.329 72 H ASN 8 H ASN 8 -2.399 6.684 -5.634 73 HA ASN 8 HA ASN 8 -0.557 7.850 -7.600 74 HB2 ASN 8 2HB ASN 8 -3.558 7.903 -7.823 75 HB3 ASN 8 1HB ASN 8 -2.354 7.995 -9.107 76 HD21 ASN 8 1HD2 ASN 8 -3.836 5.865 -6.740 77 HD22 ASN 8 2HD2 ASN 8 -3.511 4.394 -7.586 78 H LEU 9 H LEU 9 0.080 9.864 -7.264 79 HA LEU 9 HA LEU 9 -1.836 11.911 -6.581 80 HB2 LEU 9 2HB LEU 9 0.283 10.992 -4.693 81 HB3 LEU 9 1HB LEU 9 -0.106 12.706 -4.753 82 HG LEU 9 HG LEU 9 -2.554 11.256 -4.569 83 HD11 LEU 9 1HD1 LEU 9 -0.644 9.665 -3.510 84 HD12 LEU 9 2HD1 LEU 9 -2.316 9.719 -2.953 85 HD13 LEU 9 3HD1 LEU 9 -1.075 10.644 -2.109 86 HD21 LEU 9 3HD2 LEU 9 -2.316 12.444 -2.185 87 HD22 LEU 9 1HD2 LEU 9 -2.702 13.327 -3.661 88 HD23 LEU 9 2HD2 LEU 9 -1.045 13.296 -3.055 89 H LYS 10 H LYS 10 -0.861 14.098 -6.669 90 HA LYS 10 HA LYS 10 0.341 15.699 -7.735 91 HB2 LYS 10 2HB LYS 10 2.415 13.585 -7.288 92 HB3 LYS 10 1HB LYS 10 2.809 14.993 -8.270 93 HG2 LYS 10 2HG LYS 10 1.539 15.549 -5.672 94 HG3 LYS 10 1HG LYS 10 3.167 14.873 -5.613 95 HD2 LYS 10 2HD LYS 10 3.770 16.680 -7.335 96 HD3 LYS 10 1HD LYS 10 2.242 17.430 -6.885 97 HE2 LYS 10 2HE LYS 10 4.551 16.807 -5.053 98 HE3 LYS 10 1HE LYS 10 4.049 18.406 -5.603 99 HZ1 LYS 10 3HZ LYS 10 2.064 18.257 -4.361 100 HZ2 LYS 10 1HZ LYS 10 3.301 17.762 -3.318 101 HZ3 LYS 10 2HZ LYS 10 2.289 16.607 -4.031 102 H GLN 11 H GLN 11 1.948 12.959 -9.313 103 HA GLN 11 HA GLN 11 0.439 13.454 -11.765 104 HB2 GLN 11 2HB GLN 11 2.844 14.690 -11.450 105 HB3 GLN 11 1HB GLN 11 3.345 13.180 -12.196 106 HG2 GLN 11 2HG GLN 11 2.927 14.195 -14.127 107 HG3 GLN 11 1HG GLN 11 1.228 13.899 -13.756 108 HE21 GLN 11 1HE2 GLN 11 0.489 15.703 -14.830 109 HE22 GLN 11 2HE2 GLN 11 0.764 17.313 -14.266 110 H ALA 12 H ALA 12 3.039 11.567 -10.246 111 HA ALA 12 HA ALA 12 2.193 9.235 -11.815 112 HB1 ALA 12 1HB ALA 12 4.427 9.248 -12.167 113 HB2 ALA 12 2HB ALA 12 4.444 8.386 -10.628 114 HB3 ALA 12 3HB ALA 12 4.768 10.120 -10.672 115 H LYS 13 H LYS 13 2.913 7.138 -10.371 116 HA LYS 13 HA LYS 13 1.367 7.399 -7.878 117 HB2 LYS 13 2HB LYS 13 0.696 5.071 -8.164 118 HB3 LYS 13 1HB LYS 13 0.244 6.024 -9.572 119 HG2 LYS 13 2HG LYS 13 2.780 5.039 -10.161 120 HG3 LYS 13 1HG LYS 13 1.934 3.697 -9.388 121 HD2 LYS 13 2HD LYS 13 1.576 3.628 -11.784 122 HD3 LYS 13 1HD LYS 13 0.060 4.004 -10.961 123 HE2 LYS 13 2HE LYS 13 -0.127 5.932 -12.054 124 HE3 LYS 13 1HE LYS 13 1.502 6.417 -11.587 125 HZ1 LYS 13 3HZ LYS 13 2.356 5.751 -13.545 126 HZ2 LYS 13 1HZ LYS 13 0.771 5.965 -14.098 127 HZ3 LYS 13 2HZ LYS 13 1.322 4.419 -13.689 128 H GLU 14 H GLU 14 1.937 5.792 -6.172 129 HA GLU 14 HA GLU 14 4.860 5.445 -6.094 130 HB2 GLU 14 2HB GLU 14 2.890 6.342 -4.150 131 HB3 GLU 14 1HB GLU 14 3.885 5.031 -3.515 132 HG2 GLU 14 2HG GLU 14 5.376 6.587 -3.000 133 HG3 GLU 14 1HG GLU 14 5.717 6.697 -4.726 134 H GLU 15 H GLU 15 5.632 3.535 -4.828 135 HA GLU 15 HA GLU 15 3.805 1.246 -4.974 136 HB2 GLU 15 2HB GLU 15 6.174 1.694 -6.622 137 HB3 GLU 15 1HB GLU 15 6.233 0.167 -5.753 138 HG2 GLU 15 2HG GLU 15 3.643 0.356 -6.803 139 HG3 GLU 15 1HG GLU 15 4.732 0.880 -8.086 140 H ALA 16 H ALA 16 4.163 -0.357 -3.467 141 HA ALA 16 HA ALA 16 6.517 -0.367 -1.811 142 HB1 ALA 16 1HB ALA 16 4.922 1.476 -0.938 143 HB2 ALA 16 2HB ALA 16 5.630 0.339 0.210 144 HB3 ALA 16 3HB ALA 16 3.964 0.125 -0.330 145 H ILE 17 H ILE 17 6.714 -2.242 -0.567 146 HA ILE 17 HA ILE 17 4.557 -4.224 -0.846 147 HB ILE 17 HB ILE 17 7.470 -4.945 -1.120 148 HG12 ILE 17 2HG1 ILE 17 5.496 -4.728 -3.392 149 HG13 ILE 17 1HG1 ILE 17 6.599 -3.423 -2.970 150 HG21 ILE 17 1HG2 ILE 17 6.782 -7.083 -1.540 151 HG22 ILE 17 2HG2 ILE 17 5.213 -6.574 -2.163 152 HG23 ILE 17 3HG2 ILE 17 5.516 -6.565 -0.425 153 HD11 ILE 17 3HD1 ILE 17 7.333 -6.189 -3.891 154 HD12 ILE 17 1HD1 ILE 17 8.490 -4.980 -3.332 155 HD13 ILE 17 2HD1 ILE 17 7.528 -4.677 -4.778 156 H LYS 18 H LYS 18 4.122 -5.379 0.946 157 HA LYS 18 HA LYS 18 6.075 -5.467 3.115 158 HB2 LYS 18 2HB LYS 18 4.113 -3.582 3.187 159 HB3 LYS 18 1HB LYS 18 3.317 -4.919 4.006 160 HG2 LYS 18 2HG LYS 18 4.379 -3.513 5.631 161 HG3 LYS 18 1HG LYS 18 5.230 -5.057 5.562 162 HD2 LYS 18 2HD LYS 18 6.644 -3.664 3.745 163 HD3 LYS 18 1HD LYS 18 6.136 -2.349 4.807 164 HE2 LYS 18 2HE LYS 18 7.342 -4.862 5.912 165 HE3 LYS 18 1HE LYS 18 8.358 -3.553 5.310 166 HZ1 LYS 18 3HZ LYS 18 7.902 -3.471 7.734 167 HZ2 LYS 18 1HZ LYS 18 6.268 -3.193 7.386 168 HZ3 LYS 18 2HZ LYS 18 7.438 -2.070 6.907 169 H GLU 19 H GLU 19 6.311 -7.568 3.511 170 HA GLU 19 HA GLU 19 4.019 -9.352 3.197 171 HB2 GLU 19 2HB GLU 19 6.141 -9.874 1.982 172 HB3 GLU 19 1HB GLU 19 6.935 -10.071 3.539 173 HG2 GLU 19 2HG GLU 19 4.914 -11.759 3.906 174 HG3 GLU 19 1HG GLU 19 5.016 -11.835 2.147 175 H LEU 20 H LEU 20 2.894 -9.445 5.001 176 HA LEU 20 HA LEU 20 4.329 -9.858 7.540 177 HB2 LEU 20 2HB LEU 20 2.020 -8.189 6.817 178 HB3 LEU 20 1HB LEU 20 1.811 -9.113 8.291 179 HG LEU 20 HG LEU 20 4.076 -8.128 9.010 180 HD11 LEU 20 1HD1 LEU 20 3.377 -5.971 7.050 181 HD12 LEU 20 2HD1 LEU 20 4.480 -7.281 6.623 182 HD13 LEU 20 3HD1 LEU 20 4.868 -6.202 7.964 183 HD21 LEU 20 3HD2 LEU 20 1.407 -6.890 8.941 184 HD22 LEU 20 1HD2 LEU 20 2.740 -5.808 9.344 185 HD23 LEU 20 2HD2 LEU 20 2.456 -7.256 10.310 186 H VAL 21 H VAL 21 2.376 -10.769 9.153 187 HA VAL 21 HA VAL 21 2.041 -13.466 8.224 188 HB VAL 21 HB VAL 21 0.902 -13.796 10.453 189 HG11 VAL 21 1HG1 VAL 21 3.669 -12.595 10.495 190 HG12 VAL 21 2HG1 VAL 21 3.276 -14.268 10.096 191 HG13 VAL 21 3HG1 VAL 21 2.978 -13.656 11.723 192 HG21 VAL 21 3HG2 VAL 21 0.222 -11.363 10.619 193 HG22 VAL 21 1HG2 VAL 21 1.895 -11.022 11.063 194 HG23 VAL 21 2HG2 VAL 21 0.910 -12.078 12.076 195 H ASP 22 H ASP 22 -0.067 -10.690 8.768 196 HA ASP 22 HA ASP 22 -2.206 -12.151 7.401 197 HB2 ASP 22 2HB ASP 22 -2.318 -11.749 10.069 198 HB3 ASP 22 1HB ASP 22 -3.039 -10.242 9.512 199 H ALA 23 H ALA 23 -3.989 -9.808 7.836 200 HA ALA 23 HA ALA 23 -2.715 -7.959 5.932 201 HB1 ALA 23 1HB ALA 23 -4.998 -7.539 5.042 202 HB2 ALA 23 2HB ALA 23 -5.590 -8.841 6.074 203 HB3 ALA 23 3HB ALA 23 -4.426 -9.189 4.796 204 H GLY 24 H GLY 24 -3.485 -8.114 9.055 205 HA2 GLY 24 2HA GLY 24 -4.862 -5.554 9.275 206 HA3 GLY 24 1HA GLY 24 -4.441 -6.628 10.603 207 H THR 25 H THR 25 -1.945 -6.923 10.778 208 HA THR 25 HA THR 25 -0.861 -4.459 11.549 209 HB THR 25 HB THR 25 1.360 -5.936 11.374 210 HG1 THR 25 1HG THR 25 0.061 -7.581 10.228 211 HG21 THR 25 3HG2 THR 25 0.142 -5.179 13.449 212 HG22 THR 25 1HG2 THR 25 1.058 -6.681 13.566 213 HG23 THR 25 2HG2 THR 25 -0.698 -6.729 13.398 214 H ALA 26 H ALA 26 -0.870 -6.099 8.500 215 HA ALA 26 HA ALA 26 1.287 -4.520 7.403 216 HB1 ALA 26 1HB ALA 26 -0.226 -6.879 6.607 217 HB2 ALA 26 2HB ALA 26 1.422 -6.400 6.204 218 HB3 ALA 26 3HB ALA 26 0.066 -5.762 5.275 219 H GLU 27 H GLU 27 -2.247 -4.597 7.348 220 HA GLU 27 HA GLU 27 -2.383 -2.549 5.304 221 HB2 GLU 27 2HB GLU 27 -4.724 -2.688 5.454 222 HB3 GLU 27 1HB GLU 27 -4.160 -4.329 5.704 223 HG2 GLU 27 2HG GLU 27 -5.645 -4.249 7.396 224 HG3 GLU 27 1HG GLU 27 -4.282 -3.531 8.249 225 H LYS 28 H LYS 28 -2.564 -2.710 8.796 226 HA LYS 28 HA LYS 28 -3.377 -0.007 9.185 227 HB2 LYS 28 2HB LYS 28 -2.219 -2.140 10.953 228 HB3 LYS 28 1HB LYS 28 -2.352 -0.489 11.531 229 HG2 LYS 28 2HG LYS 28 -4.748 -0.527 11.176 230 HG3 LYS 28 1HG LYS 28 -4.640 -2.153 10.508 231 HD2 LYS 28 2HD LYS 28 -5.327 -2.458 12.730 232 HD3 LYS 28 1HD LYS 28 -3.603 -2.830 12.735 233 HE2 LYS 28 2HE LYS 28 -3.406 -0.261 13.307 234 HE3 LYS 28 1HE LYS 28 -5.049 -0.505 13.894 235 HZ1 LYS 28 3HZ LYS 28 -3.899 -1.031 15.760 236 HZ2 LYS 28 1HZ LYS 28 -2.530 -1.566 14.925 237 HZ3 LYS 28 2HZ LYS 28 -3.891 -2.562 15.038 238 H TYR 29 H TYR 29 -0.249 -1.679 9.418 239 HA TYR 29 HA TYR 29 1.331 0.525 10.055 240 HB2 TYR 29 2HB TYR 29 2.144 -1.790 10.166 241 HB3 TYR 29 1HB TYR 29 2.077 -1.902 8.405 242 HD1 TYR 29 2HD TYR 29 3.617 -0.444 7.041 243 HD2 TYR 29 1HD TYR 29 4.023 -0.870 11.255 244 HE1 TYR 29 2HE TYR 29 5.922 0.398 6.898 245 HE2 TYR 29 1HE TYR 29 6.330 -0.029 11.123 246 HH TYR 29 HH TYR 29 8.068 0.147 8.338 247 H PHE 30 H PHE 30 0.371 -0.752 6.887 248 HA PHE 30 HA PHE 30 1.888 0.979 5.297 249 HB2 PHE 30 2HB PHE 30 -0.229 -0.937 4.911 250 HB3 PHE 30 1HB PHE 30 -0.540 0.496 3.934 251 HD1 PHE 30 1HD PHE 30 2.273 1.287 3.316 252 HD2 PHE 30 2HD PHE 30 0.359 -2.515 3.301 253 HE1 PHE 30 1HE PHE 30 3.879 0.489 1.630 254 HE2 PHE 30 2HE PHE 30 1.961 -3.319 1.615 255 HZ PHE 30 HZ PHE 30 3.725 -1.816 0.780 256 H LYS 31 H LYS 31 -1.290 1.354 6.773 257 HA LYS 31 HA LYS 31 -2.069 3.720 5.494 258 HB2 LYS 31 2HB LYS 31 -2.789 2.387 8.068 259 HB3 LYS 31 1HB LYS 31 -3.326 4.040 7.799 260 HG2 LYS 31 2HG LYS 31 -4.115 2.984 5.489 261 HG3 LYS 31 1HG LYS 31 -4.173 1.530 6.487 262 HD2 LYS 31 2HD LYS 31 -5.391 3.283 8.132 263 HD3 LYS 31 1HD LYS 31 -5.847 3.959 6.567 264 HE2 LYS 31 2HE LYS 31 -7.518 2.469 6.621 265 HE3 LYS 31 1HE LYS 31 -6.283 1.289 6.183 266 HZ1 LYS 31 3HZ LYS 31 -5.942 0.907 8.591 267 HZ2 LYS 31 1HZ LYS 31 -7.488 0.474 8.054 268 HZ3 LYS 31 2HZ LYS 31 -7.263 1.913 8.914 269 H LEU 32 H LEU 32 -0.095 3.164 8.363 270 HA LEU 32 HA LEU 32 0.096 5.846 9.202 271 HB2 LEU 32 2HB LEU 32 1.263 3.311 9.904 272 HB3 LEU 32 1HB LEU 32 2.512 4.546 9.865 273 HG LEU 32 HG LEU 32 0.615 5.842 11.289 274 HD11 LEU 32 1HD1 LEU 32 -0.167 4.133 12.986 275 HD12 LEU 32 2HD1 LEU 32 0.240 2.903 11.787 276 HD13 LEU 32 3HD1 LEU 32 -0.984 4.121 11.427 277 HD21 LEU 32 3HD2 LEU 32 2.404 3.921 12.714 278 HD22 LEU 32 1HD2 LEU 32 2.035 5.604 13.094 279 HD23 LEU 32 2HD2 LEU 32 3.101 5.216 11.740 280 H ILE 33 H ILE 33 2.518 3.878 7.466 281 HA ILE 33 HA ILE 33 4.285 5.939 6.865 282 HB ILE 33 HB ILE 33 4.839 3.565 6.569 283 HG12 ILE 33 2HG1 ILE 33 6.030 3.781 4.389 284 HG13 ILE 33 1HG1 ILE 33 5.109 5.247 4.067 285 HG21 ILE 33 1HG2 ILE 33 2.709 2.817 5.636 286 HG22 ILE 33 2HG2 ILE 33 4.063 2.332 4.615 287 HG23 ILE 33 3HG2 ILE 33 3.050 3.697 4.146 288 HD11 ILE 33 3HD1 ILE 33 7.558 5.043 5.363 289 HD12 ILE 33 1HD1 ILE 33 6.391 5.386 6.640 290 HD13 ILE 33 2HD1 ILE 33 6.523 6.468 5.253 291 H ALA 34 H ALA 34 1.445 4.809 5.082 292 HA ALA 34 HA ALA 34 1.784 6.290 2.743 293 HB1 ALA 34 1HB ALA 34 -0.877 5.682 4.010 294 HB2 ALA 34 2HB ALA 34 0.091 4.475 3.166 295 HB3 ALA 34 3HB ALA 34 -0.510 5.886 2.297 296 H ASN 35 H ASN 35 -0.279 7.120 5.539 297 HA ASN 35 HA ASN 35 -1.039 9.651 4.765 298 HB2 ASN 35 2HB ASN 35 -1.446 8.130 6.982 299 HB3 ASN 35 1HB ASN 35 -0.401 9.388 7.636 300 HD21 ASN 35 1HD2 ASN 35 -1.062 11.655 6.904 301 HD22 ASN 35 2HD2 ASN 35 -2.750 12.011 6.996 302 H ALA 36 H ALA 36 2.044 8.587 5.963 303 HA ALA 36 HA ALA 36 2.992 11.288 6.444 304 HB1 ALA 36 1HB ALA 36 4.840 10.350 7.438 305 HB2 ALA 36 2HB ALA 36 4.801 8.917 6.411 306 HB3 ALA 36 3HB ALA 36 3.632 9.096 7.719 307 H LYS 37 H LYS 37 3.063 8.895 3.929 308 HA LYS 37 HA LYS 37 5.228 10.156 2.487 309 HB2 LYS 37 2HB LYS 37 3.464 7.785 2.040 310 HB3 LYS 37 1HB LYS 37 4.315 8.481 0.667 311 HG2 LYS 37 2HG LYS 37 6.425 8.263 2.083 312 HG3 LYS 37 1HG LYS 37 5.462 7.221 3.131 313 HD2 LYS 37 2HD LYS 37 4.919 5.839 1.115 314 HD3 LYS 37 1HD LYS 37 6.082 6.811 0.210 315 HE2 LYS 37 2HE LYS 37 7.064 5.686 2.747 316 HE3 LYS 37 1HE LYS 37 6.692 4.508 1.490 317 HZ1 LYS 37 3HZ LYS 37 8.903 5.056 1.122 318 HZ2 LYS 37 1HZ LYS 37 8.666 6.703 1.428 319 HZ3 LYS 37 2HZ LYS 37 8.085 6.017 -0.004 320 H THR 38 H THR 38 2.059 9.246 1.178 321 HA THR 38 HA THR 38 1.413 11.976 0.496 322 HB THR 38 HB THR 38 2.922 11.502 -1.320 323 HG1 THR 38 1HG THR 38 0.958 12.562 -1.862 324 HG21 THR 38 3HG2 THR 38 1.248 9.162 -2.153 325 HG22 THR 38 1HG2 THR 38 2.686 8.980 -1.147 326 HG23 THR 38 2HG2 THR 38 2.822 9.671 -2.763 327 H VAL 39 H VAL 39 -0.615 11.957 1.227 328 HA VAL 39 HA VAL 39 -2.564 10.272 -0.078 329 HB VAL 39 HB VAL 39 -2.301 10.148 2.931 330 HG11 VAL 39 1HG1 VAL 39 -4.379 9.318 1.009 331 HG12 VAL 39 2HG1 VAL 39 -4.517 9.774 2.706 332 HG13 VAL 39 3HG1 VAL 39 -3.979 8.153 2.270 333 HG21 VAL 39 3HG2 VAL 39 -1.791 7.739 2.528 334 HG22 VAL 39 1HG2 VAL 39 -0.539 8.845 1.967 335 HG23 VAL 39 2HG2 VAL 39 -1.646 8.109 0.810 336 H GLU 40 H GLU 40 -3.932 11.799 -0.734 337 HA GLU 40 HA GLU 40 -5.306 13.416 1.222 338 HB2 GLU 40 2HB GLU 40 -3.169 14.668 0.524 339 HB3 GLU 40 1HB GLU 40 -3.960 14.879 -1.036 340 HG2 GLU 40 2HG GLU 40 -5.888 15.901 0.253 341 HG3 GLU 40 1HG GLU 40 -4.803 15.941 1.640 342 H GLY 41 H GLY 41 -5.858 11.325 -0.820 343 HA2 GLY 41 2HA GLY 41 -7.975 12.809 -2.250 344 HA3 GLY 41 1HA GLY 41 -6.970 11.636 -3.104 345 H VAL 42 H VAL 42 -8.426 10.095 -3.614 346 HA VAL 42 HA VAL 42 -10.265 9.107 -1.579 347 HB VAL 42 HB VAL 42 -11.146 9.510 -3.834 348 HG11 VAL 42 1HG1 VAL 42 -10.483 8.012 -5.686 349 HG12 VAL 42 2HG1 VAL 42 -9.188 7.379 -4.672 350 HG13 VAL 42 3HG1 VAL 42 -9.177 9.069 -5.155 351 HG21 VAL 42 3HG2 VAL 42 -12.412 7.529 -4.029 352 HG22 VAL 42 1HG2 VAL 42 -12.019 7.683 -2.317 353 HG23 VAL 42 2HG2 VAL 42 -11.124 6.548 -3.328 354 H TRP 43 H TRP 43 -10.269 7.030 -0.783 355 HA TRP 43 HA TRP 43 -7.738 5.590 -1.087 356 HB2 TRP 43 2HB TRP 43 -9.835 5.730 1.032 357 HB3 TRP 43 1HB TRP 43 -8.900 4.239 0.888 358 HD1 TRP 43 HD TRP 43 -8.263 8.041 1.377 359 HE1 TRP 43 1HE TRP 43 -6.120 8.305 2.776 360 HE3 TRP 43 3HE TRP 43 -6.908 3.122 1.731 361 HZ2 TRP 43 2HZ TRP 43 -4.115 6.650 3.880 362 HZ3 TRP 43 3HZ TRP 43 -4.864 2.549 2.975 363 HH2 TRP 43 HH TRP 43 -3.498 4.277 4.026 364 H THR 44 H THR 44 -7.753 4.155 -2.690 365 HA THR 44 HA THR 44 -10.176 2.552 -3.138 366 HB THR 44 HB THR 44 -7.841 2.618 -5.021 367 HG1 THR 44 1HG THR 44 -8.511 4.478 -5.891 368 HG21 THR 44 3HG2 THR 44 -10.506 2.751 -6.138 369 HG22 THR 44 1HG2 THR 44 -10.276 1.335 -5.113 370 HG23 THR 44 2HG2 THR 44 -9.190 1.626 -6.472 371 H TYR 45 H TYR 45 -10.131 0.347 -3.030 372 HA TYR 45 HA TYR 45 -7.625 -0.844 -2.041 373 HB2 TYR 45 2HB TYR 45 -9.410 -0.924 -0.386 374 HB3 TYR 45 1HB TYR 45 -10.491 -1.687 -1.554 375 HD1 TYR 45 2HD TYR 45 -7.395 -2.195 0.417 376 HD2 TYR 45 1HD TYR 45 -10.465 -4.029 -1.877 377 HE1 TYR 45 2HE TYR 45 -6.613 -4.405 1.152 378 HE2 TYR 45 1HE TYR 45 -9.698 -6.248 -1.148 379 HH TYR 45 HH TYR 45 -7.740 -6.763 1.413 380 H LYS 46 H LYS 46 -6.736 -2.519 -3.092 381 HA LYS 46 HA LYS 46 -8.152 -3.518 -5.470 382 HB2 LYS 46 2HB LYS 46 -5.692 -2.365 -5.353 383 HB3 LYS 46 1HB LYS 46 -5.264 -4.070 -5.202 384 HG2 LYS 46 2HG LYS 46 -5.167 -3.551 -7.500 385 HG3 LYS 46 1HG LYS 46 -6.647 -4.482 -7.265 386 HD2 LYS 46 2HD LYS 46 -7.205 -2.672 -8.692 387 HD3 LYS 46 1HD LYS 46 -7.868 -2.281 -7.104 388 HE2 LYS 46 2HE LYS 46 -5.128 -1.330 -7.576 389 HE3 LYS 46 1HE LYS 46 -6.356 -0.598 -8.608 390 HZ1 LYS 46 3HZ LYS 46 -6.878 -0.786 -5.729 391 HZ2 LYS 46 1HZ LYS 46 -7.392 0.379 -6.843 392 HZ3 LYS 46 2HZ LYS 46 -5.800 0.398 -6.274 393 H ASP 47 H ASP 47 -8.515 -5.658 -5.741 394 HA ASP 47 HA ASP 47 -8.009 -7.374 -3.444 395 HB2 ASP 47 2HB ASP 47 -9.930 -7.335 -5.681 396 HB3 ASP 47 1HB ASP 47 -9.416 -8.936 -5.148 397 H GLU 48 H GLU 48 -5.893 -6.598 -5.453 398 HA GLU 48 HA GLU 48 -5.282 -9.059 -6.829 399 HB2 GLU 48 2HB GLU 48 -4.166 -6.324 -6.717 400 HB3 GLU 48 1HB GLU 48 -2.996 -7.604 -7.007 401 HG2 GLU 48 2HG GLU 48 -5.217 -8.093 -8.685 402 HG3 GLU 48 1HG GLU 48 -4.802 -6.386 -8.829 403 H ILE 49 H ILE 49 -5.513 -10.016 -4.486 404 HA ILE 49 HA ILE 49 -4.493 -11.244 -2.866 405 HB ILE 49 HB ILE 49 -1.870 -10.487 -4.156 406 HG12 ILE 49 2HG1 ILE 49 -3.226 -11.447 -5.883 407 HG13 ILE 49 1HG1 ILE 49 -2.118 -12.701 -5.336 408 HG21 ILE 49 1HG2 ILE 49 -2.384 -13.075 -2.781 409 HG22 ILE 49 2HG2 ILE 49 -2.127 -11.633 -1.799 410 HG23 ILE 49 3HG2 ILE 49 -0.887 -12.156 -2.939 411 HD11 ILE 49 3HD1 ILE 49 -4.952 -12.452 -4.369 412 HD12 ILE 49 1HD1 ILE 49 -3.840 -13.798 -4.124 413 HD13 ILE 49 2HD1 ILE 49 -4.462 -13.452 -5.737 414 H LYS 50 H LYS 50 -5.314 -9.009 -1.905 415 HA LYS 50 HA LYS 50 -5.074 -7.488 -0.231 416 HB2 LYS 50 2HB LYS 50 -2.962 -9.477 0.268 417 HB3 LYS 50 1HB LYS 50 -2.675 -7.910 1.011 418 HG2 LYS 50 2HG LYS 50 -3.800 -9.186 2.627 419 HG3 LYS 50 1HG LYS 50 -5.012 -8.085 1.968 420 HD2 LYS 50 2HD LYS 50 -4.833 -10.622 0.529 421 HD3 LYS 50 1HD LYS 50 -5.291 -10.804 2.224 422 HE2 LYS 50 2HE LYS 50 -6.643 -8.686 0.643 423 HE3 LYS 50 1HE LYS 50 -7.079 -10.361 0.308 424 HZ1 LYS 50 3HZ LYS 50 -8.543 -9.502 1.967 425 HZ2 LYS 50 1HZ LYS 50 -7.254 -8.966 2.922 426 HZ3 LYS 50 2HZ LYS 50 -7.520 -10.623 2.714 427 H THR 51 H THR 51 -4.890 -5.727 -1.665 428 HA THR 51 HA THR 51 -2.259 -4.474 -1.611 429 HB THR 51 HB THR 51 -3.822 -4.897 -4.164 430 HG1 THR 51 1HG THR 51 -2.565 -6.688 -3.488 431 HG21 THR 51 3HG2 THR 51 -2.854 -3.012 -4.853 432 HG22 THR 51 1HG2 THR 51 -1.376 -3.971 -4.911 433 HG23 THR 51 2HG2 THR 51 -1.728 -2.980 -3.496 434 H PHE 52 H PHE 52 -2.677 -2.642 -0.571 435 HA PHE 52 HA PHE 52 -5.209 -1.254 -0.949 436 HB2 PHE 52 2HB PHE 52 -3.157 -1.355 1.107 437 HB3 PHE 52 1HB PHE 52 -3.569 0.307 0.700 438 HD1 PHE 52 2HD PHE 52 -6.301 0.493 0.309 439 HD2 PHE 52 1HD PHE 52 -4.254 -2.144 2.954 440 HE1 PHE 52 2HE PHE 52 -8.318 0.336 1.709 441 HE2 PHE 52 1HE PHE 52 -6.270 -2.307 4.352 442 HZ PHE 52 HZ PHE 52 -8.304 -1.065 3.734 443 H THR 53 H THR 53 -5.350 0.936 -1.684 444 HA THR 53 HA THR 53 -2.945 2.065 -2.894 445 HB THR 53 HB THR 53 -4.518 2.551 -4.960 446 HG1 THR 53 1HG THR 53 -6.353 1.540 -4.240 447 HG21 THR 53 3HG2 THR 53 -2.380 1.134 -4.836 448 HG22 THR 53 1HG2 THR 53 -3.505 0.860 -6.166 449 HG23 THR 53 2HG2 THR 53 -3.480 -0.244 -4.790 450 H VAL 54 H VAL 54 -2.985 4.277 -3.182 451 HA VAL 54 HA VAL 54 -5.378 5.675 -2.187 452 HB VAL 54 HB VAL 54 -2.528 6.514 -1.638 453 HG11 VAL 54 1HG1 VAL 54 -4.452 8.226 -1.777 454 HG12 VAL 54 2HG1 VAL 54 -3.389 8.264 -0.369 455 HG13 VAL 54 3HG1 VAL 54 -4.985 7.522 -0.250 456 HG21 VAL 54 3HG2 VAL 54 -3.293 5.937 0.777 457 HG22 VAL 54 1HG2 VAL 54 -2.739 4.648 -0.290 458 HG23 VAL 54 2HG2 VAL 54 -4.466 4.898 -0.033 459 H THR 55 H THR 55 -6.162 6.425 -4.078 460 HA THR 55 HA THR 55 -4.387 7.688 -6.012 461 HB THR 55 HB THR 55 -7.334 7.649 -6.412 462 HG1 THR 55 1HG THR 55 -5.712 5.339 -6.302 463 HG21 THR 55 3HG2 THR 55 -5.725 8.428 -8.155 464 HG22 THR 55 1HG2 THR 55 -6.808 7.134 -8.662 465 HG23 THR 55 2HG2 THR 55 -5.132 6.770 -8.254 466 H GLU 56 H GLU 56 -4.985 9.795 -6.938 467 HA GLU 56 HA GLU 56 -5.455 11.708 -4.848 468 HB2 GLU 56 2HB GLU 56 -3.810 12.026 -6.709 469 HB3 GLU 56 1HB GLU 56 -5.169 12.205 -7.816 470 HG2 GLU 56 2HG GLU 56 -5.917 14.071 -6.158 471 HG3 GLU 56 1HG GLU 56 -4.219 14.043 -5.676 Start of MODEL 9 1 H1 THR 1 1HT THR 1 0.696 -14.428 4.131 2 H2 THR 1 2HT THR 1 1.607 -13.107 4.741 3 H3 THR 1 3HT THR 1 1.935 -13.728 3.175 4 HA THR 1 HA THR 1 -0.404 -13.140 2.609 5 HB THR 1 HB THR 1 -0.057 -11.386 5.047 6 HG1 THR 1 1HG THR 1 -1.760 -13.633 4.772 7 HG21 THR 1 3HG2 THR 1 -2.653 -11.963 3.706 8 HG22 THR 1 1HG2 THR 1 -1.584 -10.717 3.061 9 HG23 THR 1 2HG2 THR 1 -2.184 -10.594 4.715 10 H THR 2 H THR 2 0.835 -12.474 0.857 11 HA THR 2 HA THR 2 2.706 -10.347 0.962 12 HB THR 2 HB THR 2 2.731 -12.073 -0.798 13 HG1 THR 2 1HG THR 2 3.508 -9.815 -1.125 14 HG21 THR 2 3HG2 THR 2 1.016 -12.576 -2.098 15 HG22 THR 2 1HG2 THR 2 0.775 -10.886 -2.540 16 HG23 THR 2 2HG2 THR 2 0.026 -11.531 -1.080 17 H TYR 3 H TYR 3 2.379 -8.229 1.032 18 HA TYR 3 HA TYR 3 -0.245 -7.189 0.181 19 HB2 TYR 3 2HB TYR 3 1.050 -6.988 2.719 20 HB3 TYR 3 1HB TYR 3 0.969 -5.378 2.011 21 HD1 TYR 3 1HD TYR 3 -1.295 -4.524 1.243 22 HD2 TYR 3 2HD TYR 3 -0.845 -7.975 3.693 23 HE1 TYR 3 1HE TYR 3 -3.650 -4.337 1.926 24 HE2 TYR 3 2HE TYR 3 -3.199 -7.798 4.375 25 HH TYR 3 HH TYR 3 -5.270 -6.834 3.634 26 H LYS 4 H LYS 4 -0.287 -5.177 -0.874 27 HA LYS 4 HA LYS 4 2.330 -4.145 -1.741 28 HB2 LYS 4 2HB LYS 4 0.598 -5.546 -3.372 29 HB3 LYS 4 1HB LYS 4 0.212 -3.870 -3.737 30 HG2 LYS 4 2HG LYS 4 2.873 -3.719 -3.853 31 HG3 LYS 4 1HG LYS 4 2.665 -5.417 -4.287 32 HD2 LYS 4 2HD LYS 4 0.803 -3.627 -5.654 33 HD3 LYS 4 1HD LYS 4 2.497 -3.289 -6.015 34 HE2 LYS 4 2HE LYS 4 2.825 -5.651 -6.608 35 HE3 LYS 4 1HE LYS 4 1.119 -5.960 -6.284 36 HZ1 LYS 4 3HZ LYS 4 2.080 -5.357 -8.691 37 HZ2 LYS 4 1HZ LYS 4 1.674 -3.807 -8.148 38 HZ3 LYS 4 2HZ LYS 4 0.494 -5.018 -8.210 39 H LEU 5 H LEU 5 2.290 -1.916 -2.515 40 HA LEU 5 HA LEU 5 -0.014 -0.347 -1.610 41 HB2 LEU 5 2HB LEU 5 2.329 -0.526 -0.133 42 HB3 LEU 5 1HB LEU 5 2.508 0.974 -1.028 43 HG LEU 5 HG LEU 5 0.339 0.254 0.936 44 HD11 LEU 5 1HD1 LEU 5 1.819 2.789 1.093 45 HD12 LEU 5 2HD1 LEU 5 2.772 1.335 1.387 46 HD13 LEU 5 3HD1 LEU 5 1.343 1.667 2.368 47 HD21 LEU 5 3HD2 LEU 5 -1.054 1.498 -0.283 48 HD22 LEU 5 1HD2 LEU 5 0.243 2.066 -1.336 49 HD23 LEU 5 2HD2 LEU 5 -0.068 2.880 0.198 50 H ILE 6 H ILE 6 -0.599 1.127 -3.065 51 HA ILE 6 HA ILE 6 1.439 2.295 -4.787 52 HB ILE 6 HB ILE 6 -1.079 1.650 -6.195 53 HG12 ILE 6 2HG1 ILE 6 1.031 -0.473 -5.747 54 HG13 ILE 6 1HG1 ILE 6 -0.551 -0.465 -4.972 55 HG21 ILE 6 1HG2 ILE 6 0.494 2.806 -7.465 56 HG22 ILE 6 2HG2 ILE 6 0.671 1.131 -7.991 57 HG23 ILE 6 3HG2 ILE 6 1.834 1.829 -6.865 58 HD11 ILE 6 3HD1 ILE 6 0.031 -1.771 -7.260 59 HD12 ILE 6 1HD1 ILE 6 -0.604 -0.254 -7.896 60 HD13 ILE 6 2HD1 ILE 6 -1.585 -1.232 -6.804 61 H LEU 7 H LEU 7 1.290 4.385 -4.215 62 HA LEU 7 HA LEU 7 -1.383 5.544 -3.899 63 HB2 LEU 7 2HB LEU 7 1.261 6.716 -3.053 64 HB3 LEU 7 1HB LEU 7 -0.334 7.357 -2.683 65 HG LEU 7 HG LEU 7 -0.452 4.787 -1.674 66 HD11 LEU 7 1HD1 LEU 7 1.622 4.815 -0.167 67 HD12 LEU 7 2HD1 LEU 7 2.323 5.878 -1.387 68 HD13 LEU 7 3HD1 LEU 7 1.808 4.249 -1.827 69 HD21 LEU 7 3HD2 LEU 7 0.370 6.480 0.421 70 HD22 LEU 7 1HD2 LEU 7 -1.275 6.053 -0.050 71 HD23 LEU 7 2HD2 LEU 7 -0.508 7.488 -0.730 72 H ASN 8 H ASN 8 -2.109 7.218 -5.112 73 HA ASN 8 HA ASN 8 -0.284 8.217 -7.201 74 HB2 ASN 8 2HB ASN 8 -1.914 6.645 -8.158 75 HB3 ASN 8 1HB ASN 8 -3.234 7.608 -7.492 76 HD21 ASN 8 1HD2 ASN 8 -3.396 9.840 -8.243 77 HD22 ASN 8 2HD2 ASN 8 -2.951 10.202 -9.873 78 H LEU 9 H LEU 9 0.094 10.307 -6.936 79 HA LEU 9 HA LEU 9 -2.133 12.060 -6.168 80 HB2 LEU 9 2HB LEU 9 -0.512 13.378 -4.778 81 HB3 LEU 9 1HB LEU 9 -0.944 11.798 -4.128 82 HG LEU 9 HG LEU 9 1.528 12.020 -5.781 83 HD11 LEU 9 1HD1 LEU 9 1.810 13.905 -4.343 84 HD12 LEU 9 2HD1 LEU 9 2.797 12.580 -3.710 85 HD13 LEU 9 3HD1 LEU 9 1.259 12.986 -2.943 86 HD21 LEU 9 3HD2 LEU 9 0.315 9.983 -4.458 87 HD22 LEU 9 1HD2 LEU 9 1.472 10.541 -3.250 88 HD23 LEU 9 2HD2 LEU 9 2.034 10.046 -4.846 89 H LYS 10 H LYS 10 -1.940 12.168 -8.621 90 HA LYS 10 HA LYS 10 -1.462 13.384 -10.483 91 HB2 LYS 10 2HB LYS 10 -1.659 15.199 -8.495 92 HB3 LYS 10 1HB LYS 10 -0.003 15.495 -9.008 93 HG2 LYS 10 2HG LYS 10 -2.357 15.485 -10.881 94 HG3 LYS 10 1HG LYS 10 -1.715 16.929 -10.106 95 HD2 LYS 10 2HD LYS 10 -0.168 17.118 -11.693 96 HD3 LYS 10 1HD LYS 10 0.451 15.508 -11.294 97 HE2 LYS 10 2HE LYS 10 -0.162 15.614 -13.637 98 HE3 LYS 10 1HE LYS 10 -1.233 14.511 -12.778 99 HZ1 LYS 10 3HZ LYS 10 -2.105 16.405 -14.420 100 HZ2 LYS 10 1HZ LYS 10 -2.130 17.273 -12.967 101 HZ3 LYS 10 2HZ LYS 10 -3.009 15.831 -13.109 102 H GLN 11 H GLN 11 0.003 12.033 -11.457 103 HA GLN 11 HA GLN 11 1.984 11.471 -12.433 104 HB2 GLN 11 2HB GLN 11 2.232 14.130 -12.137 105 HB3 GLN 11 1HB GLN 11 3.540 13.610 -11.078 106 HG2 GLN 11 2HG GLN 11 3.212 12.878 -13.981 107 HG3 GLN 11 1HG GLN 11 4.344 14.060 -13.325 108 HE21 GLN 11 1HE2 GLN 11 4.485 11.316 -14.739 109 HE22 GLN 11 2HE2 GLN 11 5.678 10.468 -13.822 110 H ALA 12 H ALA 12 2.932 12.824 -9.267 111 HA ALA 12 HA ALA 12 4.866 10.887 -8.709 112 HB1 ALA 12 1HB ALA 12 4.967 12.900 -7.489 113 HB2 ALA 12 2HB ALA 12 4.550 11.647 -6.309 114 HB3 ALA 12 3HB ALA 12 3.302 12.738 -6.932 115 H LYS 13 H LYS 13 4.402 8.771 -8.718 116 HA LYS 13 HA LYS 13 2.083 7.857 -7.151 117 HB2 LYS 13 2HB LYS 13 2.476 7.413 -9.792 118 HB3 LYS 13 1HB LYS 13 3.295 6.010 -9.119 119 HG2 LYS 13 2HG LYS 13 1.187 5.571 -7.801 120 HG3 LYS 13 1HG LYS 13 0.417 6.801 -8.805 121 HD2 LYS 13 2HD LYS 13 1.628 5.237 -10.681 122 HD3 LYS 13 1HD LYS 13 1.196 4.046 -9.452 123 HE2 LYS 13 2HE LYS 13 -0.867 6.038 -10.205 124 HE3 LYS 13 1HE LYS 13 -0.478 4.792 -11.390 125 HZ1 LYS 13 3HZ LYS 13 -1.503 4.425 -8.634 126 HZ2 LYS 13 1HZ LYS 13 -0.840 3.154 -9.533 127 HZ3 LYS 13 2HZ LYS 13 -2.227 3.949 -10.087 128 H GLU 14 H GLU 14 2.366 6.187 -5.659 129 HA GLU 14 HA GLU 14 5.180 5.593 -5.040 130 HB2 GLU 14 2HB GLU 14 2.677 5.518 -3.363 131 HB3 GLU 14 1HB GLU 14 4.204 4.825 -2.819 132 HG2 GLU 14 2HG GLU 14 4.101 6.962 -1.865 133 HG3 GLU 14 1HG GLU 14 5.226 7.102 -3.215 134 H GLU 15 H GLU 15 5.785 3.446 -4.410 135 HA GLU 15 HA GLU 15 3.966 1.271 -5.020 136 HB2 GLU 15 2HB GLU 15 6.229 2.060 -6.774 137 HB3 GLU 15 1HB GLU 15 6.022 0.341 -6.472 138 HG2 GLU 15 2HG GLU 15 3.913 0.299 -7.471 139 HG3 GLU 15 1HG GLU 15 3.742 2.051 -7.389 140 H ALA 16 H ALA 16 4.303 -0.365 -3.651 141 HA ALA 16 HA ALA 16 6.920 -1.118 -2.756 142 HB1 ALA 16 1HB ALA 16 6.963 0.420 -1.098 143 HB2 ALA 16 2HB ALA 16 5.987 -0.792 -0.266 144 HB3 ALA 16 3HB ALA 16 5.208 0.581 -1.052 145 H ILE 17 H ILE 17 6.891 -3.036 -1.405 146 HA ILE 17 HA ILE 17 4.315 -4.438 -1.314 147 HB ILE 17 HB ILE 17 6.820 -5.838 -2.225 148 HG12 ILE 17 2HG1 ILE 17 4.603 -4.992 -4.077 149 HG13 ILE 17 1HG1 ILE 17 5.992 -3.952 -3.786 150 HG21 ILE 17 1HG2 ILE 17 3.894 -6.552 -2.306 151 HG22 ILE 17 2HG2 ILE 17 5.140 -7.285 -1.296 152 HG23 ILE 17 3HG2 ILE 17 5.180 -7.506 -3.045 153 HD11 ILE 17 3HD1 ILE 17 6.407 -6.782 -4.623 154 HD12 ILE 17 1HD1 ILE 17 7.447 -5.378 -4.855 155 HD13 ILE 17 2HD1 ILE 17 5.978 -5.556 -5.816 156 H LYS 18 H LYS 18 3.986 -5.561 0.522 157 HA LYS 18 HA LYS 18 6.278 -6.273 2.191 158 HB2 LYS 18 2HB LYS 18 5.323 -5.319 4.173 159 HB3 LYS 18 1HB LYS 18 5.388 -4.060 2.947 160 HG2 LYS 18 2HG LYS 18 2.969 -4.601 2.449 161 HG3 LYS 18 1HG LYS 18 2.986 -5.575 3.921 162 HD2 LYS 18 2HD LYS 18 4.041 -2.827 4.148 163 HD3 LYS 18 1HD LYS 18 2.305 -2.981 3.876 164 HE2 LYS 18 2HE LYS 18 2.238 -3.157 6.122 165 HE3 LYS 18 1HE LYS 18 2.652 -4.838 5.794 166 HZ1 LYS 18 3HZ LYS 18 4.033 -3.308 7.450 167 HZ2 LYS 18 1HZ LYS 18 4.879 -2.979 6.022 168 HZ3 LYS 18 2HZ LYS 18 4.737 -4.572 6.573 169 H GLU 19 H GLU 19 6.119 -8.377 2.536 170 HA GLU 19 HA GLU 19 3.477 -9.626 2.639 171 HB2 GLU 19 2HB GLU 19 6.180 -10.961 2.399 172 HB3 GLU 19 1HB GLU 19 4.608 -11.727 2.213 173 HG2 GLU 19 2HG GLU 19 4.428 -11.099 0.085 174 HG3 GLU 19 1HG GLU 19 4.997 -9.465 0.423 175 H LEU 20 H LEU 20 2.728 -9.574 4.635 176 HA LEU 20 HA LEU 20 4.522 -10.292 6.853 177 HB2 LEU 20 2HB LEU 20 2.556 -8.231 6.534 178 HB3 LEU 20 1HB LEU 20 2.069 -9.284 7.848 179 HG LEU 20 HG LEU 20 4.468 -8.953 8.736 180 HD11 LEU 20 1HD1 LEU 20 5.067 -6.455 7.989 181 HD12 LEU 20 2HD1 LEU 20 4.360 -7.043 6.485 182 HD13 LEU 20 3HD1 LEU 20 5.736 -7.884 7.201 183 HD21 LEU 20 3HD2 LEU 20 2.265 -7.966 9.587 184 HD22 LEU 20 1HD2 LEU 20 2.763 -6.484 8.768 185 HD23 LEU 20 2HD2 LEU 20 3.761 -7.157 10.058 186 H VAL 21 H VAL 21 2.673 -10.947 8.769 187 HA VAL 21 HA VAL 21 1.553 -13.443 7.686 188 HB VAL 21 HB VAL 21 1.668 -14.309 10.001 189 HG11 VAL 21 1HG1 VAL 21 3.875 -14.933 9.850 190 HG12 VAL 21 2HG1 VAL 21 4.410 -13.324 9.363 191 HG13 VAL 21 3HG1 VAL 21 3.576 -14.364 8.209 192 HG21 VAL 21 3HG2 VAL 21 2.953 -13.087 11.686 193 HG22 VAL 21 1HG2 VAL 21 1.524 -12.182 11.190 194 HG23 VAL 21 2HG2 VAL 21 3.113 -11.723 10.579 195 H ASP 22 H ASP 22 0.307 -10.663 7.904 196 HA ASP 22 HA ASP 22 -2.299 -11.477 8.488 197 HB2 ASP 22 2HB ASP 22 -0.814 -10.871 10.810 198 HB3 ASP 22 1HB ASP 22 -1.899 -9.507 10.552 199 H ALA 23 H ALA 23 -3.758 -10.041 7.757 200 HA ALA 23 HA ALA 23 -2.784 -7.822 6.235 201 HB1 ALA 23 1HB ALA 23 -5.608 -8.744 6.743 202 HB2 ALA 23 2HB ALA 23 -4.585 -9.215 5.386 203 HB3 ALA 23 3HB ALA 23 -5.119 -7.542 5.550 204 H GLY 24 H GLY 24 -3.368 -8.044 9.459 205 HA2 GLY 24 2HA GLY 24 -4.713 -5.488 9.779 206 HA3 GLY 24 1HA GLY 24 -4.195 -6.564 11.070 207 H THR 25 H THR 25 -1.675 -6.846 11.049 208 HA THR 25 HA THR 25 -0.548 -4.424 11.825 209 HB THR 25 HB THR 25 1.485 -6.259 10.898 210 HG1 THR 25 1HG THR 25 -0.482 -7.383 12.593 211 HG21 THR 25 3HG2 THR 25 2.353 -6.034 12.972 212 HG22 THR 25 1HG2 THR 25 0.777 -6.083 13.761 213 HG23 THR 25 2HG2 THR 25 1.318 -4.607 12.959 214 H ALA 26 H ALA 26 -0.503 -6.073 8.722 215 HA ALA 26 HA ALA 26 1.352 -4.272 7.506 216 HB1 ALA 26 1HB ALA 26 -0.500 -6.372 6.415 217 HB2 ALA 26 2HB ALA 26 1.256 -6.427 6.559 218 HB3 ALA 26 3HB ALA 26 0.503 -5.361 5.374 219 H GLU 27 H GLU 27 -2.147 -4.497 7.778 220 HA GLU 27 HA GLU 27 -2.806 -2.570 5.819 221 HB2 GLU 27 2HB GLU 27 -4.618 -3.854 6.511 222 HB3 GLU 27 1HB GLU 27 -4.210 -3.700 8.212 223 HG2 GLU 27 2HG GLU 27 -5.140 -1.570 8.369 224 HG3 GLU 27 1HG GLU 27 -5.119 -1.332 6.622 225 H LYS 28 H LYS 28 -1.625 -2.302 9.060 226 HA LYS 28 HA LYS 28 -2.335 0.481 9.349 227 HB2 LYS 28 2HB LYS 28 -0.629 -1.339 11.052 228 HB3 LYS 28 1HB LYS 28 -1.039 0.317 11.465 229 HG2 LYS 28 2HG LYS 28 -3.440 -0.328 11.412 230 HG3 LYS 28 1HG LYS 28 -2.934 -2.001 11.161 231 HD2 LYS 28 2HD LYS 28 -2.124 -2.214 13.298 232 HD3 LYS 28 1HD LYS 28 -1.778 -0.490 13.458 233 HE2 LYS 28 2HE LYS 28 -3.654 -1.216 14.884 234 HE3 LYS 28 1HE LYS 28 -4.127 0.005 13.702 235 HZ1 LYS 28 3HZ LYS 28 -4.559 -2.918 13.385 236 HZ2 LYS 28 1HZ LYS 28 -5.078 -1.708 12.321 237 HZ3 LYS 28 2HZ LYS 28 -5.741 -1.810 13.873 238 H TYR 29 H TYR 29 0.699 -1.364 9.036 239 HA TYR 29 HA TYR 29 2.496 0.728 9.050 240 HB2 TYR 29 2HB TYR 29 2.919 -1.819 8.898 241 HB3 TYR 29 1HB TYR 29 2.823 -1.584 7.151 242 HD1 TYR 29 2HD TYR 29 4.622 -0.365 10.177 243 HD2 TYR 29 1HD TYR 29 4.715 -0.927 5.962 244 HE1 TYR 29 2HE TYR 29 6.986 0.310 10.145 245 HE2 TYR 29 1HE TYR 29 7.079 -0.254 5.918 246 HH TYR 29 HH TYR 29 9.042 -0.270 8.344 247 H PHE 30 H PHE 30 0.714 -0.587 6.272 248 HA PHE 30 HA PHE 30 1.838 1.259 4.409 249 HB2 PHE 30 2HB PHE 30 -0.341 -0.773 4.361 250 HB3 PHE 30 1HB PHE 30 -0.378 0.485 3.130 251 HD1 PHE 30 1HD PHE 30 2.981 0.199 3.670 252 HD2 PHE 30 2HD PHE 30 -0.252 -2.083 2.101 253 HE1 PHE 30 1HE PHE 30 4.560 -1.091 2.303 254 HE2 PHE 30 2HE PHE 30 1.327 -3.380 0.735 255 HZ PHE 30 HZ PHE 30 3.736 -2.885 0.832 256 H LYS 31 H LYS 31 -1.148 1.133 6.288 257 HA LYS 31 HA LYS 31 -2.347 3.428 5.156 258 HB2 LYS 31 2HB LYS 31 -3.586 1.758 6.492 259 HB3 LYS 31 1HB LYS 31 -2.712 2.272 7.928 260 HG2 LYS 31 2HG LYS 31 -3.684 4.626 7.275 261 HG3 LYS 31 1HG LYS 31 -4.884 3.643 6.434 262 HD2 LYS 31 2HD LYS 31 -5.043 2.356 8.676 263 HD3 LYS 31 1HD LYS 31 -4.273 3.788 9.363 264 HE2 LYS 31 2HE LYS 31 -6.087 5.128 8.951 265 HE3 LYS 31 1HE LYS 31 -6.632 4.155 7.586 266 HZ1 LYS 31 3HZ LYS 31 -8.151 3.835 9.359 267 HZ2 LYS 31 1HZ LYS 31 -6.910 3.512 10.462 268 HZ3 LYS 31 2HZ LYS 31 -7.247 2.412 9.229 269 H LEU 32 H LEU 32 0.107 2.962 7.562 270 HA LEU 32 HA LEU 32 -0.037 5.557 8.735 271 HB2 LEU 32 2HB LEU 32 1.196 3.227 9.400 272 HB3 LEU 32 1HB LEU 32 2.553 4.145 8.767 273 HG LEU 32 HG LEU 32 1.246 5.916 10.476 274 HD11 LEU 32 1HD1 LEU 32 0.921 4.789 12.534 275 HD12 LEU 32 2HD1 LEU 32 1.579 3.284 11.894 276 HD13 LEU 32 3HD1 LEU 32 0.022 3.881 11.317 277 HD21 LEU 32 3HD2 LEU 32 3.757 5.225 9.993 278 HD22 LEU 32 1HD2 LEU 32 3.532 4.315 11.483 279 HD23 LEU 32 2HD2 LEU 32 3.290 6.063 11.473 280 H ILE 33 H ILE 33 2.450 4.093 6.634 281 HA ILE 33 HA ILE 33 3.861 6.401 6.042 282 HB ILE 33 HB ILE 33 4.657 4.166 5.449 283 HG12 ILE 33 2HG1 ILE 33 5.623 4.710 3.267 284 HG13 ILE 33 1HG1 ILE 33 4.400 5.953 3.020 285 HG21 ILE 33 1HG2 ILE 33 2.221 4.154 3.799 286 HG22 ILE 33 2HG2 ILE 33 3.058 2.829 4.603 287 HG23 ILE 33 3HG2 ILE 33 3.656 3.443 3.062 288 HD11 ILE 33 3HD1 ILE 33 5.504 7.446 4.261 289 HD12 ILE 33 1HD1 ILE 33 6.889 6.383 4.007 290 HD13 ILE 33 2HD1 ILE 33 5.939 6.255 5.487 291 H ALA 34 H ALA 34 0.835 5.264 4.727 292 HA ALA 34 HA ALA 34 0.793 7.023 2.476 293 HB1 ALA 34 1HB ALA 34 -1.740 5.989 3.631 294 HB2 ALA 34 2HB ALA 34 -0.575 4.818 3.012 295 HB3 ALA 34 3HB ALA 34 -1.212 6.074 1.951 296 H ASN 35 H ASN 35 -0.527 7.111 5.753 297 HA ASN 35 HA ASN 35 -2.086 9.416 5.526 298 HB2 ASN 35 2HB ASN 35 -1.385 7.658 7.567 299 HB3 ASN 35 1HB ASN 35 -0.760 9.212 8.110 300 HD21 ASN 35 1HD2 ASN 35 -2.228 9.487 9.731 301 HD22 ASN 35 2HD2 ASN 35 -3.909 9.774 9.451 302 H ALA 36 H ALA 36 1.357 8.996 5.952 303 HA ALA 36 HA ALA 36 1.800 11.824 6.438 304 HB1 ALA 36 1HB ALA 36 3.157 10.079 7.572 305 HB2 ALA 36 2HB ALA 36 4.122 11.254 6.679 306 HB3 ALA 36 3HB ALA 36 3.842 9.649 6.004 307 H LYS 37 H LYS 37 1.929 9.544 3.809 308 HA LYS 37 HA LYS 37 3.448 11.215 2.045 309 HB2 LYS 37 2HB LYS 37 1.870 8.682 1.718 310 HB3 LYS 37 1HB LYS 37 2.456 9.552 0.308 311 HG2 LYS 37 2HG LYS 37 4.428 8.997 2.437 312 HG3 LYS 37 1HG LYS 37 3.842 7.617 1.507 313 HD2 LYS 37 2HD LYS 37 4.508 8.682 -0.561 314 HD3 LYS 37 1HD LYS 37 4.992 10.137 0.312 315 HE2 LYS 37 2HE LYS 37 6.737 8.910 1.455 316 HE3 LYS 37 1HE LYS 37 6.214 7.406 0.698 317 HZ1 LYS 37 3HZ LYS 37 8.181 8.518 -0.347 318 HZ2 LYS 37 1HZ LYS 37 7.142 9.753 -0.857 319 HZ3 LYS 37 2HZ LYS 37 6.911 8.171 -1.408 320 H THR 38 H THR 38 0.114 10.017 1.654 321 HA THR 38 HA THR 38 -1.004 12.605 1.315 322 HB THR 38 HB THR 38 0.052 12.673 -0.802 323 HG1 THR 38 1HG THR 38 -2.529 11.635 -1.331 324 HG21 THR 38 3HG2 THR 38 -0.696 9.804 -1.015 325 HG22 THR 38 1HG2 THR 38 0.841 10.599 -1.357 326 HG23 THR 38 2HG2 THR 38 -0.511 10.772 -2.478 327 H VAL 39 H VAL 39 -2.919 12.292 2.228 328 HA VAL 39 HA VAL 39 -4.484 9.930 1.433 329 HB VAL 39 HB VAL 39 -5.482 10.074 3.802 330 HG11 VAL 39 1HG1 VAL 39 -2.628 9.136 3.630 331 HG12 VAL 39 2HG1 VAL 39 -3.974 8.283 2.875 332 HG13 VAL 39 3HG1 VAL 39 -3.928 8.483 4.626 333 HG21 VAL 39 3HG2 VAL 39 -2.863 11.075 4.732 334 HG22 VAL 39 1HG2 VAL 39 -4.469 11.274 5.432 335 HG23 VAL 39 2HG2 VAL 39 -3.969 12.268 4.071 336 H GLU 40 H GLU 40 -4.623 12.518 0.286 337 HA GLU 40 HA GLU 40 -7.274 13.409 1.225 338 HB2 GLU 40 2HB GLU 40 -5.005 14.980 0.011 339 HB3 GLU 40 1HB GLU 40 -6.650 15.605 0.101 340 HG2 GLU 40 2HG GLU 40 -5.575 14.569 2.626 341 HG3 GLU 40 1HG GLU 40 -4.750 15.987 1.986 342 H GLY 41 H GLY 41 -8.453 12.036 -0.112 343 HA2 GLY 41 2HA GLY 41 -9.344 12.903 -2.518 344 HA3 GLY 41 1HA GLY 41 -7.936 11.938 -2.950 345 H VAL 42 H VAL 42 -8.426 9.953 -3.534 346 HA VAL 42 HA VAL 42 -10.772 8.662 -2.303 347 HB VAL 42 HB VAL 42 -11.060 9.081 -4.706 348 HG11 VAL 42 1HG1 VAL 42 -9.683 7.862 -6.341 349 HG12 VAL 42 2HG1 VAL 42 -8.643 7.312 -5.033 350 HG13 VAL 42 3HG1 VAL 42 -8.740 9.028 -5.408 351 HG21 VAL 42 3HG2 VAL 42 -12.155 7.140 -5.030 352 HG22 VAL 42 1HG2 VAL 42 -11.672 6.826 -3.363 353 HG23 VAL 42 2HG2 VAL 42 -10.727 6.158 -4.695 354 H TRP 43 H TRP 43 -10.615 6.538 -1.625 355 HA TRP 43 HA TRP 43 -7.871 5.480 -1.453 356 HB2 TRP 43 2HB TRP 43 -10.128 5.583 0.468 357 HB3 TRP 43 1HB TRP 43 -9.172 4.098 0.467 358 HD1 TRP 43 HD TRP 43 -8.532 7.926 0.736 359 HE1 TRP 43 1HE TRP 43 -6.551 8.278 2.342 360 HE3 TRP 43 3HE TRP 43 -7.363 3.036 1.671 361 HZ2 TRP 43 2HZ TRP 43 -4.734 6.693 3.809 362 HZ3 TRP 43 3HZ TRP 43 -5.489 2.541 3.187 363 HH2 TRP 43 HH TRP 43 -4.202 4.333 4.232 364 H THR 44 H THR 44 -7.477 3.779 -2.692 365 HA THR 44 HA THR 44 -9.725 2.058 -3.489 366 HB THR 44 HB THR 44 -7.021 2.438 -4.792 367 HG1 THR 44 1HG THR 44 -7.963 3.980 -5.821 368 HG21 THR 44 3HG2 THR 44 -9.340 0.691 -5.518 369 HG22 THR 44 1HG2 THR 44 -7.630 0.273 -5.399 370 HG23 THR 44 2HG2 THR 44 -8.202 1.281 -6.729 371 H TYR 45 H TYR 45 -9.276 -0.254 -3.719 372 HA TYR 45 HA TYR 45 -7.009 -1.376 -2.344 373 HB2 TYR 45 2HB TYR 45 -8.413 -0.782 -0.429 374 HB3 TYR 45 1HB TYR 45 -9.775 -1.652 -1.140 375 HD1 TYR 45 2HD TYR 45 -6.330 -2.131 0.179 376 HD2 TYR 45 1HD TYR 45 -10.080 -3.931 -0.705 377 HE1 TYR 45 2HE TYR 45 -5.609 -4.179 1.329 378 HE2 TYR 45 1HE TYR 45 -9.370 -5.988 0.442 379 HH TYR 45 HH TYR 45 -6.116 -6.516 1.421 380 H LYS 46 H LYS 46 -6.762 -3.590 -2.727 381 HA LYS 46 HA LYS 46 -8.715 -4.758 -4.601 382 HB2 LYS 46 2HB LYS 46 -5.709 -4.815 -4.633 383 HB3 LYS 46 1HB LYS 46 -6.651 -6.055 -5.459 384 HG2 LYS 46 2HG LYS 46 -7.846 -4.016 -6.556 385 HG3 LYS 46 1HG LYS 46 -6.387 -3.148 -6.073 386 HD2 LYS 46 2HD LYS 46 -6.124 -3.956 -8.331 387 HD3 LYS 46 1HD LYS 46 -5.035 -4.845 -7.266 388 HE2 LYS 46 2HE LYS 46 -6.390 -6.768 -7.313 389 HE3 LYS 46 1HE LYS 46 -7.759 -5.885 -7.988 390 HZ1 LYS 46 3HZ LYS 46 -6.898 -7.035 -9.788 391 HZ2 LYS 46 1HZ LYS 46 -5.288 -6.766 -9.339 392 HZ3 LYS 46 2HZ LYS 46 -6.213 -5.499 -9.972 393 H ASP 47 H ASP 47 -9.608 -6.604 -3.974 394 HA ASP 47 HA ASP 47 -8.512 -7.970 -1.633 395 HB2 ASP 47 2HB ASP 47 -10.715 -9.134 -1.590 396 HB3 ASP 47 1HB ASP 47 -10.837 -7.380 -1.444 397 H GLU 48 H GLU 48 -7.457 -8.220 -4.437 398 HA GLU 48 HA GLU 48 -8.038 -11.009 -5.053 399 HB2 GLU 48 2HB GLU 48 -7.293 -8.741 -6.585 400 HB3 GLU 48 1HB GLU 48 -5.997 -9.919 -6.732 401 HG2 GLU 48 2HG GLU 48 -8.858 -10.689 -7.142 402 HG3 GLU 48 1HG GLU 48 -7.885 -9.986 -8.439 403 H ILE 49 H ILE 49 -5.369 -8.953 -4.026 404 HA ILE 49 HA ILE 49 -4.020 -11.301 -2.962 405 HB ILE 49 HB ILE 49 -1.851 -10.709 -3.891 406 HG12 ILE 49 2HG1 ILE 49 -2.264 -8.283 -4.160 407 HG13 ILE 49 1HG1 ILE 49 -1.622 -9.012 -5.628 408 HG21 ILE 49 1HG2 ILE 49 -3.583 -12.198 -5.089 409 HG22 ILE 49 2HG2 ILE 49 -2.161 -11.664 -5.984 410 HG23 ILE 49 3HG2 ILE 49 -3.710 -10.861 -6.232 411 HD11 ILE 49 3HD1 ILE 49 -4.176 -7.698 -5.144 412 HD12 ILE 49 1HD1 ILE 49 -4.305 -9.221 -6.022 413 HD13 ILE 49 2HD1 ILE 49 -3.279 -7.928 -6.646 414 H LYS 50 H LYS 50 -5.415 -8.850 -1.955 415 HA LYS 50 HA LYS 50 -5.214 -7.374 -0.239 416 HB2 LYS 50 2HB LYS 50 -2.629 -8.811 0.374 417 HB3 LYS 50 1HB LYS 50 -3.583 -7.836 1.482 418 HG2 LYS 50 2HG LYS 50 -4.897 -10.170 0.207 419 HG3 LYS 50 1HG LYS 50 -3.708 -10.471 1.475 420 HD2 LYS 50 2HD LYS 50 -5.021 -9.593 3.104 421 HD3 LYS 50 1HD LYS 50 -5.725 -8.381 2.029 422 HE2 LYS 50 2HE LYS 50 -7.149 -10.058 1.018 423 HE3 LYS 50 1HE LYS 50 -6.392 -11.322 1.986 424 HZ1 LYS 50 3HZ LYS 50 -7.915 -9.029 3.100 425 HZ2 LYS 50 1HZ LYS 50 -7.276 -10.332 3.972 426 HZ3 LYS 50 2HZ LYS 50 -8.542 -10.584 2.879 427 H THR 51 H THR 51 -4.951 -5.520 -1.473 428 HA THR 51 HA THR 51 -2.275 -4.372 -1.371 429 HB THR 51 HB THR 51 -3.885 -4.551 -3.922 430 HG1 THR 51 1HG THR 51 -2.765 -6.416 -3.667 431 HG21 THR 51 3HG2 THR 51 -1.562 -3.621 -4.776 432 HG22 THR 51 1HG2 THR 51 -1.570 -2.867 -3.181 433 HG23 THR 51 2HG2 THR 51 -2.889 -2.558 -4.311 434 H PHE 52 H PHE 52 -2.361 -2.370 -0.625 435 HA PHE 52 HA PHE 52 -4.927 -0.938 -0.699 436 HB2 PHE 52 2HB PHE 52 -2.852 -1.249 1.298 437 HB3 PHE 52 1HB PHE 52 -3.147 0.454 0.970 438 HD1 PHE 52 1HD PHE 52 -6.022 0.477 0.420 439 HD2 PHE 52 2HD PHE 52 -3.809 -1.655 3.371 440 HE1 PHE 52 1HE PHE 52 -8.014 0.408 1.860 441 HE2 PHE 52 2HE PHE 52 -5.802 -1.729 4.810 442 HZ PHE 52 HZ PHE 52 -7.906 -0.698 4.056 443 H THR 53 H THR 53 -5.087 1.086 -1.625 444 HA THR 53 HA THR 53 -2.656 2.363 -2.613 445 HB THR 53 HB THR 53 -3.892 2.701 -4.853 446 HG1 THR 53 1HG THR 53 -5.218 0.372 -3.931 447 HG21 THR 53 3HG2 THR 53 -3.093 -0.145 -4.395 448 HG22 THR 53 1HG2 THR 53 -1.906 1.159 -4.417 449 HG23 THR 53 2HG2 THR 53 -2.899 0.848 -5.841 450 H VAL 54 H VAL 54 -2.777 4.559 -2.766 451 HA VAL 54 HA VAL 54 -5.375 5.788 -2.109 452 HB VAL 54 HB VAL 54 -2.688 6.836 -1.222 453 HG11 VAL 54 1HG1 VAL 54 -5.501 7.593 -0.442 454 HG12 VAL 54 2HG1 VAL 54 -4.412 8.539 -1.456 455 HG13 VAL 54 3HG1 VAL 54 -4.024 8.272 0.244 456 HG21 VAL 54 3HG2 VAL 54 -2.996 4.796 -0.048 457 HG22 VAL 54 1HG2 VAL 54 -4.699 5.146 0.247 458 HG23 VAL 54 2HG2 VAL 54 -3.451 6.091 1.059 459 H THR 55 H THR 55 -5.983 6.533 -4.065 460 HA THR 55 HA THR 55 -4.074 8.008 -5.713 461 HB THR 55 HB THR 55 -6.909 7.124 -6.290 462 HG1 THR 55 1HG THR 55 -4.381 6.063 -6.964 463 HG21 THR 55 3HG2 THR 55 -6.606 8.899 -7.744 464 HG22 THR 55 1HG2 THR 55 -6.127 7.500 -8.696 465 HG23 THR 55 2HG2 THR 55 -4.898 8.546 -7.985 466 H GLU 56 H GLU 56 -4.804 10.055 -6.709 467 HA GLU 56 HA GLU 56 -5.875 11.804 -4.673 468 HB2 GLU 56 2HB GLU 56 -4.042 12.093 -6.744 469 HB3 GLU 56 1HB GLU 56 -5.435 13.031 -7.277 470 HG2 GLU 56 2HG GLU 56 -5.172 13.797 -4.660 471 HG3 GLU 56 1HG GLU 56 -3.498 13.579 -5.173 Start of MODEL 10 1 H1 THR 1 1HT THR 1 0.224 -13.673 4.837 2 H2 THR 1 2HT THR 1 0.307 -11.959 4.881 3 H3 THR 1 3HT THR 1 1.747 -12.892 4.923 4 HA THR 1 HA THR 1 1.370 -13.674 2.737 5 HB THR 1 HB THR 1 -0.551 -12.713 1.455 6 HG1 THR 1 1HG THR 1 -1.490 -11.908 4.004 7 HG21 THR 1 3HG2 THR 1 -0.691 -14.756 3.432 8 HG22 THR 1 1HG2 THR 1 -1.562 -14.620 1.905 9 HG23 THR 1 2HG2 THR 1 -2.230 -13.898 3.369 10 H THR 2 H THR 2 1.365 -12.145 0.691 11 HA THR 2 HA THR 2 3.154 -9.963 1.365 12 HB THR 2 HB THR 2 3.185 -9.817 -1.253 13 HG1 THR 2 1HG THR 2 2.219 -11.373 -2.280 14 HG21 THR 2 3HG2 THR 2 4.638 -11.964 -1.309 15 HG22 THR 2 1HG2 THR 2 4.412 -11.938 0.439 16 HG23 THR 2 2HG2 THR 2 5.167 -10.566 -0.373 17 H TYR 3 H TYR 3 2.633 -7.868 1.367 18 HA TYR 3 HA TYR 3 0.028 -7.097 0.224 19 HB2 TYR 3 2HB TYR 3 1.033 -6.784 2.875 20 HB3 TYR 3 1HB TYR 3 0.880 -5.182 2.159 21 HD1 TYR 3 2HD TYR 3 -0.923 -8.177 3.252 22 HD2 TYR 3 1HD TYR 3 -1.299 -4.290 1.563 23 HE1 TYR 3 2HE TYR 3 -3.340 -8.222 3.700 24 HE2 TYR 3 1HE TYR 3 -3.717 -4.325 2.008 25 HH TYR 3 HH TYR 3 -5.402 -7.119 2.804 26 H LYS 4 H LYS 4 0.079 -5.668 -1.371 27 HA LYS 4 HA LYS 4 2.516 -4.047 -1.726 28 HB2 LYS 4 2HB LYS 4 0.588 -5.073 -3.818 29 HB3 LYS 4 1HB LYS 4 1.957 -4.020 -4.142 30 HG2 LYS 4 2HG LYS 4 3.340 -5.743 -4.258 31 HG3 LYS 4 1HG LYS 4 2.814 -6.339 -2.682 32 HD2 LYS 4 2HD LYS 4 2.056 -8.096 -3.873 33 HD3 LYS 4 1HD LYS 4 0.693 -7.029 -4.218 34 HE2 LYS 4 2HE LYS 4 1.647 -6.378 -6.312 35 HE3 LYS 4 1HE LYS 4 3.156 -7.211 -5.942 36 HZ1 LYS 4 3HZ LYS 4 1.512 -9.244 -5.752 37 HZ2 LYS 4 1HZ LYS 4 2.166 -8.768 -7.238 38 HZ3 LYS 4 2HZ LYS 4 0.594 -8.308 -6.820 39 H LEU 5 H LEU 5 2.292 -1.862 -2.319 40 HA LEU 5 HA LEU 5 -0.441 -0.790 -2.120 41 HB2 LEU 5 2HB LEU 5 1.470 -0.481 -0.187 42 HB3 LEU 5 1HB LEU 5 1.681 0.975 -1.145 43 HG LEU 5 HG LEU 5 -0.868 1.276 -0.876 44 HD11 LEU 5 1HD1 LEU 5 -1.561 -0.789 -0.012 45 HD12 LEU 5 2HD1 LEU 5 -1.616 0.316 1.361 46 HD13 LEU 5 3HD1 LEU 5 -0.274 -0.815 1.193 47 HD21 LEU 5 3HD2 LEU 5 1.339 1.828 0.983 48 HD22 LEU 5 1HD2 LEU 5 -0.277 1.975 1.675 49 HD23 LEU 5 2HD2 LEU 5 0.162 2.922 0.254 50 H ILE 6 H ILE 6 -0.957 0.955 -3.370 51 HA ILE 6 HA ILE 6 1.115 2.135 -5.032 52 HB ILE 6 HB ILE 6 -1.448 1.356 -6.370 53 HG12 ILE 6 2HG1 ILE 6 0.133 -0.549 -7.329 54 HG13 ILE 6 1HG1 ILE 6 0.899 -0.386 -5.753 55 HG21 ILE 6 1HG2 ILE 6 1.294 1.678 -7.548 56 HG22 ILE 6 2HG2 ILE 6 0.196 3.038 -7.310 57 HG23 ILE 6 3HG2 ILE 6 -0.266 1.708 -8.371 58 HD11 ILE 6 3HD1 ILE 6 -0.776 -2.160 -5.789 59 HD12 ILE 6 1HD1 ILE 6 -2.013 -0.980 -6.223 60 HD13 ILE 6 2HD1 ILE 6 -1.206 -0.878 -4.658 61 H LEU 7 H LEU 7 0.987 4.198 -4.361 62 HA LEU 7 HA LEU 7 -1.679 5.385 -4.063 63 HB2 LEU 7 2HB LEU 7 0.922 6.496 -3.039 64 HB3 LEU 7 1HB LEU 7 -0.703 7.024 -2.618 65 HG LEU 7 HG LEU 7 -0.995 4.621 -1.688 66 HD11 LEU 7 1HD1 LEU 7 1.882 4.720 -2.321 67 HD12 LEU 7 2HD1 LEU 7 0.790 3.340 -2.199 68 HD13 LEU 7 3HD1 LEU 7 1.456 4.071 -0.738 69 HD21 LEU 7 3HD2 LEU 7 -0.837 6.768 -0.399 70 HD22 LEU 7 1HD2 LEU 7 0.893 6.463 -0.238 71 HD23 LEU 7 2HD2 LEU 7 -0.270 5.337 0.461 72 H ASN 8 H ASN 8 -2.388 6.891 -5.415 73 HA ASN 8 HA ASN 8 -0.483 7.972 -7.372 74 HB2 ASN 8 2HB ASN 8 -2.549 6.782 -8.184 75 HB3 ASN 8 1HB ASN 8 -3.502 8.091 -7.486 76 HD21 ASN 8 1HD2 ASN 8 -3.226 10.212 -8.333 77 HD22 ASN 8 2HD2 ASN 8 -2.694 10.440 -9.962 78 H LEU 9 H LEU 9 0.307 9.917 -6.973 79 HA LEU 9 HA LEU 9 -1.419 11.877 -5.617 80 HB2 LEU 9 2HB LEU 9 0.602 12.855 -4.630 81 HB3 LEU 9 1HB LEU 9 0.372 11.185 -4.142 82 HG LEU 9 HG LEU 9 2.155 11.743 -6.467 83 HD11 LEU 9 1HD1 LEU 9 3.001 12.062 -3.591 84 HD12 LEU 9 2HD1 LEU 9 2.831 13.373 -4.755 85 HD13 LEU 9 3HD1 LEU 9 4.050 12.123 -5.007 86 HD21 LEU 9 3HD2 LEU 9 1.410 9.462 -5.380 87 HD22 LEU 9 1HD2 LEU 9 2.728 9.837 -4.269 88 HD23 LEU 9 2HD2 LEU 9 3.044 9.702 -5.998 89 H LYS 10 H LYS 10 0.027 14.146 -5.924 90 HA LYS 10 HA LYS 10 -0.644 15.077 -8.421 91 HB2 LYS 10 2HB LYS 10 1.595 16.078 -6.655 92 HB3 LYS 10 1HB LYS 10 0.838 16.988 -7.962 93 HG2 LYS 10 2HG LYS 10 -1.239 17.083 -6.788 94 HG3 LYS 10 1HG LYS 10 -0.644 15.974 -5.547 95 HD2 LYS 10 2HD LYS 10 -0.172 17.859 -4.410 96 HD3 LYS 10 1HD LYS 10 1.239 17.938 -5.465 97 HE2 LYS 10 2HE LYS 10 0.501 19.936 -6.098 98 HE3 LYS 10 1HE LYS 10 -0.784 19.096 -6.962 99 HZ1 LYS 10 3HZ LYS 10 -1.185 19.629 -4.116 100 HZ2 LYS 10 1HZ LYS 10 -2.309 19.601 -5.380 101 HZ3 LYS 10 2HZ LYS 10 -1.293 20.936 -5.175 102 H GLN 11 H GLN 11 2.320 13.493 -7.428 103 HA GLN 11 HA GLN 11 3.292 13.688 -10.202 104 HB2 GLN 11 2HB GLN 11 5.565 13.420 -9.319 105 HB3 GLN 11 1HB GLN 11 4.769 14.843 -8.639 106 HG2 GLN 11 2HG GLN 11 4.145 13.188 -6.710 107 HG3 GLN 11 1HG GLN 11 5.516 12.270 -7.333 108 HE21 GLN 11 1HE2 GLN 11 4.785 14.190 -4.945 109 HE22 GLN 11 2HE2 GLN 11 6.238 15.107 -4.770 110 H ALA 12 H ALA 12 2.459 11.850 -11.071 111 HA ALA 12 HA ALA 12 2.122 9.631 -11.479 112 HB1 ALA 12 1HB ALA 12 4.635 8.837 -10.169 113 HB2 ALA 12 2HB ALA 12 4.774 10.093 -11.400 114 HB3 ALA 12 3HB ALA 12 4.059 8.534 -11.809 115 H LYS 13 H LYS 13 2.862 7.318 -10.188 116 HA LYS 13 HA LYS 13 1.402 7.553 -7.644 117 HB2 LYS 13 2HB LYS 13 0.685 5.232 -7.987 118 HB3 LYS 13 1HB LYS 13 0.187 6.262 -9.323 119 HG2 LYS 13 2HG LYS 13 2.296 5.442 -10.508 120 HG3 LYS 13 1HG LYS 13 2.355 4.193 -9.261 121 HD2 LYS 13 2HD LYS 13 1.192 3.217 -11.060 122 HD3 LYS 13 1HD LYS 13 -0.054 3.668 -9.894 123 HE2 LYS 13 2HE LYS 13 -0.261 5.839 -11.225 124 HE3 LYS 13 1HE LYS 13 0.677 5.022 -12.475 125 HZ1 LYS 13 3HZ LYS 13 -1.971 4.942 -12.350 126 HZ2 LYS 13 1HZ LYS 13 -1.613 3.564 -11.434 127 HZ3 LYS 13 2HZ LYS 13 -1.043 3.696 -13.022 128 H GLU 14 H GLU 14 1.955 5.874 -6.001 129 HA GLU 14 HA GLU 14 4.871 5.473 -5.974 130 HB2 GLU 14 2HB GLU 14 2.827 5.827 -3.797 131 HB3 GLU 14 1HB GLU 14 4.394 5.092 -3.454 132 HG2 GLU 14 2HG GLU 14 4.159 7.762 -4.799 133 HG3 GLU 14 1HG GLU 14 4.131 7.593 -3.044 134 H GLU 15 H GLU 15 5.648 3.499 -4.858 135 HA GLU 15 HA GLU 15 3.806 1.245 -4.875 136 HB2 GLU 15 2HB GLU 15 5.462 1.775 -7.084 137 HB3 GLU 15 1HB GLU 15 6.233 0.451 -6.223 138 HG2 GLU 15 2HG GLU 15 3.872 -0.602 -6.216 139 HG3 GLU 15 1HG GLU 15 3.538 0.553 -7.505 140 H ALA 16 H ALA 16 4.279 -0.231 -3.345 141 HA ALA 16 HA ALA 16 6.971 -0.391 -2.246 142 HB1 ALA 16 1HB ALA 16 6.130 -0.134 0.080 143 HB2 ALA 16 2HB ALA 16 4.580 0.384 -0.583 144 HB3 ALA 16 3HB ALA 16 6.032 1.343 -0.879 145 H ILE 17 H ILE 17 7.286 -2.245 -0.858 146 HA ILE 17 HA ILE 17 5.238 -4.332 -1.238 147 HB ILE 17 HB ILE 17 7.122 -5.982 -1.284 148 HG12 ILE 17 2HG1 ILE 17 9.159 -4.244 -2.271 149 HG13 ILE 17 1HG1 ILE 17 8.646 -3.643 -0.698 150 HG21 ILE 17 1HG2 ILE 17 7.621 -4.241 -3.609 151 HG22 ILE 17 2HG2 ILE 17 5.937 -4.666 -3.299 152 HG23 ILE 17 3HG2 ILE 17 7.137 -5.936 -3.537 153 HD11 ILE 17 3HD1 ILE 17 9.650 -5.309 0.376 154 HD12 ILE 17 1HD1 ILE 17 10.487 -5.615 -1.146 155 HD13 ILE 17 2HD1 ILE 17 9.029 -6.523 -0.742 156 H LYS 18 H LYS 18 4.466 -5.126 0.590 157 HA LYS 18 HA LYS 18 6.216 -5.388 2.914 158 HB2 LYS 18 2HB LYS 18 4.519 -3.256 2.759 159 HB3 LYS 18 1HB LYS 18 3.511 -4.438 3.581 160 HG2 LYS 18 2HG LYS 18 4.623 -3.128 5.229 161 HG3 LYS 18 1HG LYS 18 5.337 -4.742 5.243 162 HD2 LYS 18 2HD LYS 18 7.355 -3.942 4.729 163 HD3 LYS 18 1HD LYS 18 6.710 -2.991 3.391 164 HE2 LYS 18 2HE LYS 18 6.741 -1.104 4.587 165 HE3 LYS 18 1HE LYS 18 6.014 -1.885 5.990 166 HZ1 LYS 18 3HZ LYS 18 8.500 -0.966 5.956 167 HZ2 LYS 18 1HZ LYS 18 8.789 -2.555 5.450 168 HZ3 LYS 18 2HZ LYS 18 8.012 -2.265 6.924 169 H GLU 19 H GLU 19 6.161 -7.520 3.230 170 HA GLU 19 HA GLU 19 3.587 -8.913 3.026 171 HB2 GLU 19 2HB GLU 19 5.072 -10.987 2.974 172 HB3 GLU 19 1HB GLU 19 5.123 -9.945 1.560 173 HG2 GLU 19 2HG GLU 19 7.237 -9.137 2.073 174 HG3 GLU 19 1HG GLU 19 7.121 -9.631 3.761 175 H LEU 20 H LEU 20 2.656 -8.904 4.954 176 HA LEU 20 HA LEU 20 4.288 -9.458 7.333 177 HB2 LEU 20 2HB LEU 20 2.056 -7.704 6.797 178 HB3 LEU 20 1HB LEU 20 1.697 -8.764 8.147 179 HG LEU 20 HG LEU 20 4.357 -7.603 8.355 180 HD11 LEU 20 1HD1 LEU 20 2.735 -5.850 7.152 181 HD12 LEU 20 2HD1 LEU 20 3.962 -5.380 8.329 182 HD13 LEU 20 3HD1 LEU 20 2.280 -5.559 8.831 183 HD21 LEU 20 3HD2 LEU 20 2.386 -8.602 10.024 184 HD22 LEU 20 1HD2 LEU 20 2.413 -6.874 10.376 185 HD23 LEU 20 2HD2 LEU 20 3.889 -7.827 10.520 186 H VAL 21 H VAL 21 2.384 -10.354 9.078 187 HA VAL 21 HA VAL 21 2.144 -13.091 8.285 188 HB VAL 21 HB VAL 21 2.646 -12.460 10.607 189 HG11 VAL 21 1HG1 VAL 21 -0.216 -11.644 10.958 190 HG12 VAL 21 2HG1 VAL 21 1.020 -10.468 10.511 191 HG13 VAL 21 3HG1 VAL 21 1.161 -11.362 12.025 192 HG21 VAL 21 3HG2 VAL 21 1.436 -14.178 11.604 193 HG22 VAL 21 1HG2 VAL 21 1.397 -14.602 9.893 194 HG23 VAL 21 2HG2 VAL 21 -0.008 -13.849 10.646 195 H ASP 22 H ASP 22 -0.205 -10.491 8.937 196 HA ASP 22 HA ASP 22 -2.219 -12.109 7.533 197 HB2 ASP 22 2HB ASP 22 -3.926 -11.194 9.011 198 HB3 ASP 22 1HB ASP 22 -2.663 -11.963 9.964 199 H ALA 23 H ALA 23 -4.098 -9.772 7.832 200 HA ALA 23 HA ALA 23 -2.940 -8.094 5.708 201 HB1 ALA 23 1HB ALA 23 -4.875 -9.614 5.100 202 HB2 ALA 23 2HB ALA 23 -5.058 -7.906 4.696 203 HB3 ALA 23 3HB ALA 23 -5.880 -8.571 6.107 204 H GLY 24 H GLY 24 -3.853 -8.045 8.902 205 HA2 GLY 24 2HA GLY 24 -4.946 -5.348 8.887 206 HA3 GLY 24 1HA GLY 24 -4.745 -6.384 10.293 207 H THR 25 H THR 25 -2.278 -6.944 10.636 208 HA THR 25 HA THR 25 -0.999 -4.673 11.534 209 HB THR 25 HB THR 25 1.073 -6.058 11.593 210 HG1 THR 25 1HG THR 25 -0.557 -8.001 10.324 211 HG21 THR 25 3HG2 THR 25 -0.886 -8.034 12.478 212 HG22 THR 25 1HG2 THR 25 -1.138 -6.406 13.110 213 HG23 THR 25 2HG2 THR 25 0.403 -7.222 13.369 214 H ALA 26 H ALA 26 -0.897 -6.170 8.381 215 HA ALA 26 HA ALA 26 1.213 -4.459 7.408 216 HB1 ALA 26 1HB ALA 26 1.335 -5.892 5.692 217 HB2 ALA 26 2HB ALA 26 -0.402 -5.822 5.393 218 HB3 ALA 26 3HB ALA 26 0.238 -6.904 6.630 219 H GLU 27 H GLU 27 -2.290 -4.582 7.366 220 HA GLU 27 HA GLU 27 -2.686 -2.590 5.376 221 HB2 GLU 27 2HB GLU 27 -4.570 -3.905 5.781 222 HB3 GLU 27 1HB GLU 27 -4.388 -3.808 7.525 223 HG2 GLU 27 2HG GLU 27 -5.140 -1.500 7.496 224 HG3 GLU 27 1HG GLU 27 -5.264 -1.547 5.738 225 H LYS 28 H LYS 28 -2.408 -2.508 8.883 226 HA LYS 28 HA LYS 28 -2.957 0.271 9.154 227 HB2 LYS 28 2HB LYS 28 -1.651 -1.730 10.995 228 HB3 LYS 28 1HB LYS 28 -1.945 -0.056 11.447 229 HG2 LYS 28 2HG LYS 28 -4.401 -0.597 10.759 230 HG3 LYS 28 1HG LYS 28 -3.892 -2.269 11.003 231 HD2 LYS 28 2HD LYS 28 -2.999 -1.459 13.269 232 HD3 LYS 28 1HD LYS 28 -3.993 -0.027 12.994 233 HE2 LYS 28 2HE LYS 28 -5.923 -1.141 13.345 234 HE3 LYS 28 1HE LYS 28 -5.342 -2.607 12.555 235 HZ1 LYS 28 3HZ LYS 28 -5.413 -3.326 14.692 236 HZ2 LYS 28 1HZ LYS 28 -5.141 -1.794 15.360 237 HZ3 LYS 28 2HZ LYS 28 -3.850 -2.680 14.713 238 H TYR 29 H TYR 29 0.067 -1.612 9.312 239 HA TYR 29 HA TYR 29 1.848 0.467 9.686 240 HB2 TYR 29 2HB TYR 29 2.139 -2.184 9.416 241 HB3 TYR 29 1HB TYR 29 2.673 -1.688 7.809 242 HD1 TYR 29 1HD TYR 29 3.168 -0.202 11.205 243 HD2 TYR 29 2HD TYR 29 4.976 -1.809 7.706 244 HE1 TYR 29 1HE TYR 29 5.391 0.329 12.111 245 HE2 TYR 29 2HE TYR 29 7.203 -1.284 8.608 246 HH TYR 29 HH TYR 29 7.930 0.737 10.655 247 H PHE 30 H PHE 30 0.460 -0.750 6.668 248 HA PHE 30 HA PHE 30 1.970 0.935 4.957 249 HB2 PHE 30 2HB PHE 30 -0.192 -0.989 4.687 250 HB3 PHE 30 1HB PHE 30 -0.436 0.405 3.637 251 HD1 PHE 30 1HD PHE 30 2.409 1.060 3.015 252 HD2 PHE 30 2HD PHE 30 0.361 -2.669 3.168 253 HE1 PHE 30 1HE PHE 30 4.008 0.121 1.400 254 HE2 PHE 30 2HE PHE 30 1.956 -3.615 1.550 255 HZ PHE 30 HZ PHE 30 3.783 -2.220 0.666 256 H LYS 31 H LYS 31 -1.075 1.283 6.660 257 HA LYS 31 HA LYS 31 -1.934 3.656 5.373 258 HB2 LYS 31 2HB LYS 31 -2.799 1.991 7.571 259 HB3 LYS 31 1HB LYS 31 -2.932 3.691 8.002 260 HG2 LYS 31 2HG LYS 31 -4.477 4.129 6.338 261 HG3 LYS 31 1HG LYS 31 -4.009 2.715 5.392 262 HD2 LYS 31 2HD LYS 31 -6.184 2.381 6.448 263 HD3 LYS 31 1HD LYS 31 -4.989 1.252 7.090 264 HE2 LYS 31 2HE LYS 31 -4.963 2.236 9.147 265 HE3 LYS 31 1HE LYS 31 -5.341 3.835 8.508 266 HZ1 LYS 31 3HZ LYS 31 -7.431 1.835 8.244 267 HZ2 LYS 31 1HZ LYS 31 -7.542 3.471 8.662 268 HZ3 LYS 31 2HZ LYS 31 -7.087 2.328 9.820 269 H LEU 32 H LEU 32 0.178 2.980 8.078 270 HA LEU 32 HA LEU 32 0.351 5.596 9.122 271 HB2 LEU 32 2HB LEU 32 1.179 3.270 10.039 272 HB3 LEU 32 1HB LEU 32 2.669 3.713 9.221 273 HG LEU 32 HG LEU 32 1.607 5.839 10.929 274 HD11 LEU 32 1HD1 LEU 32 2.576 3.292 12.214 275 HD12 LEU 32 2HD1 LEU 32 0.909 3.870 12.234 276 HD13 LEU 32 3HD1 LEU 32 2.173 4.803 13.037 277 HD21 LEU 32 3HD2 LEU 32 3.738 6.304 10.327 278 HD22 LEU 32 1HD2 LEU 32 4.190 4.605 10.196 279 HD23 LEU 32 2HD2 LEU 32 4.100 5.372 11.774 280 H ILE 33 H ILE 33 2.695 3.815 7.105 281 HA ILE 33 HA ILE 33 4.378 5.960 6.546 282 HB ILE 33 HB ILE 33 4.972 3.629 6.060 283 HG12 ILE 33 2HG1 ILE 33 6.009 4.021 3.819 284 HG13 ILE 33 1HG1 ILE 33 5.043 5.486 3.672 285 HG21 ILE 33 1HG2 ILE 33 3.102 3.841 3.706 286 HG22 ILE 33 2HG2 ILE 33 2.752 2.955 5.191 287 HG23 ILE 33 3HG2 ILE 33 4.089 2.451 4.158 288 HD11 ILE 33 3HD1 ILE 33 6.496 5.459 6.156 289 HD12 ILE 33 1HD1 ILE 33 6.510 6.647 4.853 290 HD13 ILE 33 2HD1 ILE 33 7.576 5.244 4.780 291 H ALA 34 H ALA 34 1.514 4.815 4.797 292 HA ALA 34 HA ALA 34 1.704 6.617 2.635 293 HB1 ALA 34 1HB ALA 34 0.327 4.674 2.423 294 HB2 ALA 34 2HB ALA 34 -0.714 6.091 2.300 295 HB3 ALA 34 3HB ALA 34 -0.665 5.160 3.798 296 H ASN 35 H ASN 35 0.067 6.806 5.765 297 HA ASN 35 HA ASN 35 -1.378 9.152 5.372 298 HB2 ASN 35 2HB ASN 35 -1.578 7.636 7.348 299 HB3 ASN 35 1HB ASN 35 -0.056 8.285 7.951 300 HD21 ASN 35 1HD2 ASN 35 -1.251 8.919 9.818 301 HD22 ASN 35 2HD2 ASN 35 -2.186 10.370 9.797 302 H ALA 36 H ALA 36 2.012 8.656 6.020 303 HA ALA 36 HA ALA 36 2.474 11.503 6.442 304 HB1 ALA 36 1HB ALA 36 4.803 10.843 6.866 305 HB2 ALA 36 2HB ALA 36 4.391 9.174 6.469 306 HB3 ALA 36 3HB ALA 36 3.667 9.950 7.878 307 H LYS 37 H LYS 37 2.744 9.091 3.967 308 HA LYS 37 HA LYS 37 4.647 10.295 2.300 309 HB2 LYS 37 2HB LYS 37 2.337 8.444 1.755 310 HB3 LYS 37 1HB LYS 37 3.381 9.020 0.462 311 HG2 LYS 37 2HG LYS 37 5.080 8.077 2.494 312 HG3 LYS 37 1HG LYS 37 3.797 6.879 2.311 313 HD2 LYS 37 2HD LYS 37 4.228 6.902 -0.148 314 HD3 LYS 37 1HD LYS 37 5.616 7.948 0.156 315 HE2 LYS 37 2HE LYS 37 6.803 6.275 1.238 316 HE3 LYS 37 1HE LYS 37 5.350 5.344 1.602 317 HZ1 LYS 37 3HZ LYS 37 6.772 4.383 -0.172 318 HZ2 LYS 37 1HZ LYS 37 6.420 5.725 -1.140 319 HZ3 LYS 37 2HZ LYS 37 5.181 4.678 -0.663 320 H THR 38 H THR 38 1.206 10.154 1.426 321 HA THR 38 HA THR 38 1.228 13.022 0.891 322 HB THR 38 HB THR 38 -0.129 12.071 -1.305 323 HG1 THR 38 1HG THR 38 0.825 9.965 -0.710 324 HG21 THR 38 3HG2 THR 38 1.814 13.814 -1.004 325 HG22 THR 38 1HG2 THR 38 1.454 13.089 -2.571 326 HG23 THR 38 2HG2 THR 38 2.793 12.473 -1.602 327 H VAL 39 H VAL 39 -0.858 10.186 0.339 328 HA VAL 39 HA VAL 39 -3.119 9.926 0.598 329 HB VAL 39 HB VAL 39 -3.861 10.406 2.999 330 HG11 VAL 39 1HG1 VAL 39 -2.506 8.515 3.873 331 HG12 VAL 39 2HG1 VAL 39 -1.520 8.603 2.414 332 HG13 VAL 39 3HG1 VAL 39 -3.233 8.201 2.297 333 HG21 VAL 39 3HG2 VAL 39 -0.912 10.949 3.329 334 HG22 VAL 39 1HG2 VAL 39 -2.106 10.827 4.620 335 HG23 VAL 39 2HG2 VAL 39 -2.194 12.154 3.463 336 H GLU 40 H GLU 40 -4.098 11.331 -0.804 337 HA GLU 40 HA GLU 40 -5.676 13.391 0.357 338 HB2 GLU 40 2HB GLU 40 -3.199 14.143 -1.118 339 HB3 GLU 40 1HB GLU 40 -4.649 15.102 -1.412 340 HG2 GLU 40 2HG GLU 40 -4.733 15.148 1.220 341 HG3 GLU 40 1HG GLU 40 -3.005 14.834 1.049 342 H GLY 41 H GLY 41 -7.352 12.230 -0.590 343 HA2 GLY 41 2HA GLY 41 -8.507 13.010 -2.872 344 HA3 GLY 41 1HA GLY 41 -7.353 11.825 -3.471 345 H VAL 42 H VAL 42 -8.143 9.859 -3.728 346 HA VAL 42 HA VAL 42 -10.414 9.023 -2.047 347 HB VAL 42 HB VAL 42 -11.038 9.302 -4.403 348 HG11 VAL 42 1HG1 VAL 42 -8.839 8.846 -5.390 349 HG12 VAL 42 2HG1 VAL 42 -10.110 7.877 -6.133 350 HG13 VAL 42 3HG1 VAL 42 -9.012 7.145 -4.963 351 HG21 VAL 42 3HG2 VAL 42 -11.025 6.356 -4.012 352 HG22 VAL 42 1HG2 VAL 42 -12.341 7.424 -4.500 353 HG23 VAL 42 2HG2 VAL 42 -11.831 7.365 -2.812 354 H TRP 43 H TRP 43 -10.437 6.942 -1.219 355 HA TRP 43 HA TRP 43 -7.845 5.554 -1.300 356 HB2 TRP 43 2HB TRP 43 -9.898 5.945 0.824 357 HB3 TRP 43 1HB TRP 43 -9.000 4.425 0.824 358 HD1 TRP 43 HD TRP 43 -8.139 8.217 0.681 359 HE1 TRP 43 1HE TRP 43 -6.022 8.594 2.097 360 HE3 TRP 43 3HE TRP 43 -7.208 3.381 2.054 361 HZ2 TRP 43 2HZ TRP 43 -4.199 7.046 3.596 362 HZ3 TRP 43 3HZ TRP 43 -5.257 2.915 3.480 363 HH2 TRP 43 HH TRP 43 -3.785 4.711 4.233 364 H THR 44 H THR 44 -7.802 3.815 -2.547 365 HA THR 44 HA THR 44 -10.265 2.220 -2.829 366 HB THR 44 HB THR 44 -9.751 3.085 -4.966 367 HG1 THR 44 1HG THR 44 -9.414 1.251 -6.095 368 HG21 THR 44 3HG2 THR 44 -7.725 3.911 -5.330 369 HG22 THR 44 1HG2 THR 44 -7.248 2.264 -5.738 370 HG23 THR 44 2HG2 THR 44 -6.991 2.876 -4.105 371 H TYR 45 H TYR 45 -9.800 -0.124 -3.397 372 HA TYR 45 HA TYR 45 -7.351 -1.166 -2.211 373 HB2 TYR 45 2HB TYR 45 -8.815 -1.063 -0.291 374 HB3 TYR 45 1HB TYR 45 -10.119 -1.843 -1.191 375 HD1 TYR 45 2HD TYR 45 -6.800 -2.383 0.347 376 HD2 TYR 45 1HD TYR 45 -10.220 -4.209 -1.383 377 HE1 TYR 45 2HE TYR 45 -6.020 -4.576 1.137 378 HE2 TYR 45 1HE TYR 45 -9.457 -6.411 -0.600 379 HH TYR 45 HH TYR 45 -6.300 -6.889 0.728 380 H LYS 46 H LYS 46 -6.615 -2.885 -3.292 381 HA LYS 46 HA LYS 46 -8.386 -4.101 -5.294 382 HB2 LYS 46 2HB LYS 46 -5.466 -3.567 -5.154 383 HB3 LYS 46 1HB LYS 46 -5.970 -5.032 -5.997 384 HG2 LYS 46 2HG LYS 46 -7.645 -3.307 -7.143 385 HG3 LYS 46 1HG LYS 46 -6.345 -2.190 -6.729 386 HD2 LYS 46 2HD LYS 46 -6.045 -4.739 -8.318 387 HD3 LYS 46 1HD LYS 46 -6.060 -3.105 -8.982 388 HE2 LYS 46 2HE LYS 46 -4.119 -3.555 -6.821 389 HE3 LYS 46 1HE LYS 46 -3.816 -4.470 -8.298 390 HZ1 LYS 46 3HZ LYS 46 -3.358 -2.608 -9.467 391 HZ2 LYS 46 1HZ LYS 46 -2.943 -2.008 -7.940 392 HZ3 LYS 46 2HZ LYS 46 -4.452 -1.643 -8.610 393 H ASP 47 H ASP 47 -9.089 -6.105 -5.006 394 HA ASP 47 HA ASP 47 -7.987 -7.694 -2.823 395 HB2 ASP 47 2HB ASP 47 -10.015 -9.134 -3.225 396 HB3 ASP 47 1HB ASP 47 -10.357 -7.471 -2.743 397 H GLU 48 H GLU 48 -6.646 -7.382 -5.479 398 HA GLU 48 HA GLU 48 -6.898 -9.873 -6.852 399 HB2 GLU 48 2HB GLU 48 -4.721 -7.775 -6.939 400 HB3 GLU 48 1HB GLU 48 -4.829 -9.149 -8.031 401 HG2 GLU 48 2HG GLU 48 -7.264 -8.123 -8.404 402 HG3 GLU 48 1HG GLU 48 -6.403 -6.653 -7.954 403 H ILE 49 H ILE 49 -4.480 -8.510 -4.638 404 HA ILE 49 HA ILE 49 -3.891 -11.139 -3.606 405 HB ILE 49 HB ILE 49 -1.438 -10.928 -3.962 406 HG12 ILE 49 2HG1 ILE 49 -1.484 -8.464 -4.430 407 HG13 ILE 49 1HG1 ILE 49 -0.555 -9.401 -5.596 408 HG21 ILE 49 1HG2 ILE 49 -1.446 -11.860 -6.145 409 HG22 ILE 49 2HG2 ILE 49 -2.942 -11.027 -6.566 410 HG23 ILE 49 3HG2 ILE 49 -2.963 -12.330 -5.378 411 HD11 ILE 49 3HD1 ILE 49 -1.713 -8.393 -7.186 412 HD12 ILE 49 1HD1 ILE 49 -2.818 -7.682 -6.010 413 HD13 ILE 49 2HD1 ILE 49 -3.126 -9.297 -6.643 414 H LYS 50 H LYS 50 -5.054 -8.945 -2.390 415 HA LYS 50 HA LYS 50 -4.959 -7.713 -0.481 416 HB2 LYS 50 2HB LYS 50 -2.728 -9.644 -0.156 417 HB3 LYS 50 1HB LYS 50 -2.721 -8.245 0.909 418 HG2 LYS 50 2HG LYS 50 -4.182 -9.255 2.224 419 HG3 LYS 50 1HG LYS 50 -5.352 -9.265 0.903 420 HD2 LYS 50 2HD LYS 50 -3.225 -11.348 0.931 421 HD3 LYS 50 1HD LYS 50 -4.565 -11.502 2.068 422 HE2 LYS 50 2HE LYS 50 -5.811 -12.360 0.443 423 HE3 LYS 50 1HE LYS 50 -5.685 -10.836 -0.434 424 HZ1 LYS 50 3HZ LYS 50 -3.347 -11.948 -1.036 425 HZ2 LYS 50 1HZ LYS 50 -4.740 -12.152 -1.974 426 HZ3 LYS 50 2HZ LYS 50 -4.286 -13.344 -0.863 427 H THR 51 H THR 51 -4.718 -5.811 -1.777 428 HA THR 51 HA THR 51 -2.183 -4.470 -1.262 429 HB THR 51 HB THR 51 -1.898 -3.715 -3.534 430 HG1 THR 51 1HG THR 51 -3.300 -4.472 -5.169 431 HG21 THR 51 3HG2 THR 51 -2.449 -6.631 -3.872 432 HG22 THR 51 1HG2 THR 51 -1.114 -6.062 -2.870 433 HG23 THR 51 2HG2 THR 51 -1.171 -5.645 -4.584 434 H PHE 52 H PHE 52 -2.456 -2.450 -0.629 435 HA PHE 52 HA PHE 52 -5.116 -1.234 -0.922 436 HB2 PHE 52 2HB PHE 52 -3.221 -1.376 1.248 437 HB3 PHE 52 1HB PHE 52 -3.531 0.309 0.841 438 HD1 PHE 52 1HD PHE 52 -6.274 0.469 0.160 439 HD2 PHE 52 2HD PHE 52 -4.422 -1.983 3.112 440 HE1 PHE 52 1HE PHE 52 -8.389 0.385 1.412 441 HE2 PHE 52 2HE PHE 52 -6.538 -2.073 4.362 442 HZ PHE 52 HZ PHE 52 -8.523 -0.888 3.515 443 H THR 53 H THR 53 -5.310 0.935 -1.673 444 HA THR 53 HA THR 53 -2.875 2.163 -2.722 445 HB THR 53 HB THR 53 -4.197 2.634 -4.882 446 HG1 THR 53 1HG THR 53 -5.589 0.334 -3.989 447 HG21 THR 53 3HG2 THR 53 -2.264 1.048 -4.686 448 HG22 THR 53 1HG2 THR 53 -3.422 0.688 -5.967 449 HG23 THR 53 2HG2 THR 53 -3.447 -0.242 -4.468 450 H VAL 54 H VAL 54 -2.932 4.363 -2.931 451 HA VAL 54 HA VAL 54 -5.392 5.704 -2.020 452 HB VAL 54 HB VAL 54 -2.576 6.607 -1.402 453 HG11 VAL 54 1HG1 VAL 54 -4.124 8.442 -1.454 454 HG12 VAL 54 2HG1 VAL 54 -3.737 8.081 0.229 455 HG13 VAL 54 3HG1 VAL 54 -5.276 7.557 -0.454 456 HG21 VAL 54 3HG2 VAL 54 -2.533 5.382 0.468 457 HG22 VAL 54 1HG2 VAL 54 -3.829 4.439 -0.268 458 HG23 VAL 54 2HG2 VAL 54 -4.216 5.746 0.850 459 H THR 55 H THR 55 -6.138 6.472 -3.930 460 HA THR 55 HA THR 55 -4.312 7.779 -5.782 461 HB THR 55 HB THR 55 -7.281 7.544 -6.175 462 HG1 THR 55 1HG THR 55 -6.516 5.473 -5.611 463 HG21 THR 55 3HG2 THR 55 -5.128 7.204 -8.226 464 HG22 THR 55 1HG2 THR 55 -5.761 8.788 -7.793 465 HG23 THR 55 2HG2 THR 55 -6.838 7.565 -8.460 466 H GLU 56 H GLU 56 -4.663 9.906 -6.565 467 HA GLU 56 HA GLU 56 -5.605 11.707 -4.491 468 HB2 GLU 56 2HB GLU 56 -3.440 12.087 -5.651 469 HB3 GLU 56 1HB GLU 56 -4.318 12.349 -7.149 470 HG2 GLU 56 2HG GLU 56 -4.873 14.441 -6.597 471 HG3 GLU 56 1HG GLU 56 -5.238 14.009 -4.927 Start of MODEL 11 1 H1 THR 1 1HT THR 1 2.602 -13.628 3.891 2 H2 THR 1 2HT THR 1 1.225 -14.545 4.345 3 H3 THR 1 3HT THR 1 1.489 -12.994 5.030 4 HA THR 1 HA THR 1 0.718 -13.696 2.290 5 HB THR 1 HB THR 1 -1.192 -12.336 2.777 6 HG1 THR 1 1HG THR 1 -0.024 -11.714 5.280 7 HG21 THR 1 3HG2 THR 1 -1.246 -14.603 3.776 8 HG22 THR 1 1HG2 THR 1 -2.242 -13.420 4.624 9 HG23 THR 1 2HG2 THR 1 -0.681 -13.900 5.291 10 H THR 2 H THR 2 1.154 -12.317 0.657 11 HA THR 2 HA THR 2 3.032 -10.166 1.185 12 HB THR 2 HB THR 2 3.470 -11.732 -0.659 13 HG1 THR 2 1HG THR 2 4.121 -9.482 -0.784 14 HG21 THR 2 3HG2 THR 2 2.185 -11.705 -2.691 15 HG22 THR 2 1HG2 THR 2 1.054 -10.544 -1.997 16 HG23 THR 2 2HG2 THR 2 1.153 -12.178 -1.341 17 H TYR 3 H TYR 3 2.533 -8.070 1.243 18 HA TYR 3 HA TYR 3 -0.093 -7.245 0.185 19 HB2 TYR 3 2HB TYR 3 0.956 -7.021 2.851 20 HB3 TYR 3 1HB TYR 3 0.691 -5.411 2.192 21 HD1 TYR 3 2HD TYR 3 -1.594 -4.804 1.341 22 HD2 TYR 3 1HD TYR 3 -0.864 -8.374 3.543 23 HE1 TYR 3 2HE TYR 3 -3.997 -4.993 1.820 24 HE2 TYR 3 1HE TYR 3 -3.267 -8.574 4.023 25 HH TYR 3 HH TYR 3 -5.387 -7.826 3.166 26 H LYS 4 H LYS 4 -0.029 -5.733 -1.344 27 HA LYS 4 HA LYS 4 2.458 -4.187 -1.669 28 HB2 LYS 4 2HB LYS 4 1.206 -5.824 -3.487 29 HB3 LYS 4 1HB LYS 4 0.604 -4.237 -3.943 30 HG2 LYS 4 2HG LYS 4 2.973 -3.452 -4.036 31 HG3 LYS 4 1HG LYS 4 3.472 -5.127 -3.789 32 HD2 LYS 4 2HD LYS 4 3.530 -4.726 -6.131 33 HD3 LYS 4 1HD LYS 4 2.108 -5.722 -5.816 34 HE2 LYS 4 2HE LYS 4 1.081 -3.211 -5.584 35 HE3 LYS 4 1HE LYS 4 2.308 -2.975 -6.828 36 HZ1 LYS 4 3HZ LYS 4 1.168 -4.205 -8.305 37 HZ2 LYS 4 1HZ LYS 4 -0.163 -3.829 -7.330 38 HZ3 LYS 4 2HZ LYS 4 0.624 -5.316 -7.152 39 H LEU 5 H LEU 5 2.213 -1.995 -2.593 40 HA LEU 5 HA LEU 5 -0.363 -0.732 -2.006 41 HB2 LEU 5 2HB LEU 5 1.554 -0.583 -0.152 42 HB3 LEU 5 1HB LEU 5 2.068 0.743 -1.185 43 HG LEU 5 HG LEU 5 -0.685 0.514 0.033 44 HD11 LEU 5 1HD1 LEU 5 0.324 1.104 1.935 45 HD12 LEU 5 2HD1 LEU 5 0.553 2.678 1.175 46 HD13 LEU 5 3HD1 LEU 5 1.843 1.478 1.121 47 HD21 LEU 5 3HD2 LEU 5 -1.132 1.998 -1.590 48 HD22 LEU 5 1HD2 LEU 5 0.572 2.314 -1.908 49 HD23 LEU 5 2HD2 LEU 5 -0.242 3.133 -0.577 50 H ILE 6 H ILE 6 -0.879 0.989 -3.287 51 HA ILE 6 HA ILE 6 1.185 2.093 -5.008 52 HB ILE 6 HB ILE 6 -1.408 1.479 -6.344 53 HG12 ILE 6 2HG1 ILE 6 0.850 -0.490 -5.927 54 HG13 ILE 6 1HG1 ILE 6 -0.833 -0.688 -5.450 55 HG21 ILE 6 1HG2 ILE 6 0.085 1.357 -8.319 56 HG22 ILE 6 2HG2 ILE 6 1.446 1.743 -7.267 57 HG23 ILE 6 3HG2 ILE 6 0.143 2.910 -7.486 58 HD11 ILE 6 3HD1 ILE 6 -0.829 -1.947 -7.332 59 HD12 ILE 6 1HD1 ILE 6 0.443 -0.998 -8.101 60 HD13 ILE 6 2HD1 ILE 6 -1.209 -0.384 -8.054 61 H LEU 7 H LEU 7 1.147 4.161 -4.388 62 HA LEU 7 HA LEU 7 -1.444 5.450 -3.934 63 HB2 LEU 7 2HB LEU 7 1.321 6.435 -3.242 64 HB3 LEU 7 1HB LEU 7 -0.196 7.205 -2.792 65 HG LEU 7 HG LEU 7 -0.568 4.751 -1.711 66 HD11 LEU 7 1HD1 LEU 7 2.387 5.309 -1.507 67 HD12 LEU 7 2HD1 LEU 7 1.638 3.957 -2.355 68 HD13 LEU 7 3HD1 LEU 7 1.506 4.080 -0.601 69 HD21 LEU 7 3HD2 LEU 7 -0.375 7.295 -0.810 70 HD22 LEU 7 1HD2 LEU 7 1.012 6.555 -0.011 71 HD23 LEU 7 2HD2 LEU 7 -0.603 5.889 0.230 72 H ASN 8 H ASN 8 -2.120 7.245 -5.034 73 HA ASN 8 HA ASN 8 -0.379 8.182 -7.219 74 HB2 ASN 8 2HB ASN 8 -2.144 6.706 -8.113 75 HB3 ASN 8 1HB ASN 8 -3.370 7.743 -7.382 76 HD21 ASN 8 1HD2 ASN 8 -1.871 7.034 -10.184 77 HD22 ASN 8 2HD2 ASN 8 -2.067 8.533 -11.020 78 H LEU 9 H LEU 9 0.061 10.271 -7.025 79 HA LEU 9 HA LEU 9 -1.973 12.026 -5.824 80 HB2 LEU 9 2HB LEU 9 0.022 13.386 -4.997 81 HB3 LEU 9 1HB LEU 9 -0.351 11.890 -4.150 82 HG LEU 9 HG LEU 9 1.697 11.901 -6.336 83 HD11 LEU 9 1HD1 LEU 9 3.309 12.881 -5.116 84 HD12 LEU 9 2HD1 LEU 9 2.694 12.238 -3.591 85 HD13 LEU 9 3HD1 LEU 9 1.953 13.671 -4.312 86 HD21 LEU 9 3HD2 LEU 9 0.622 9.926 -4.795 87 HD22 LEU 9 1HD2 LEU 9 2.073 10.346 -3.884 88 HD23 LEU 9 2HD2 LEU 9 2.204 9.856 -5.573 89 H LYS 10 H LYS 10 0.741 11.752 -8.069 90 HA LYS 10 HA LYS 10 -0.467 13.809 -9.729 91 HB2 LYS 10 2HB LYS 10 1.761 14.956 -9.989 92 HB3 LYS 10 1HB LYS 10 0.982 15.180 -8.429 93 HG2 LYS 10 2HG LYS 10 2.594 14.084 -7.315 94 HG3 LYS 10 1HG LYS 10 2.843 12.907 -8.610 95 HD2 LYS 10 2HD LYS 10 3.710 15.765 -8.899 96 HD3 LYS 10 1HD LYS 10 4.733 14.578 -8.099 97 HE2 LYS 10 2HE LYS 10 3.590 14.063 -10.822 98 HE3 LYS 10 1HE LYS 10 5.074 14.992 -10.616 99 HZ1 LYS 10 3HZ LYS 10 5.626 12.712 -10.994 100 HZ2 LYS 10 1HZ LYS 10 4.600 12.198 -9.751 101 HZ3 LYS 10 2HZ LYS 10 5.994 13.080 -9.385 102 H GLN 11 H GLN 11 -0.847 12.248 -11.281 103 HA GLN 11 HA GLN 11 -0.410 10.978 -13.113 104 HB2 GLN 11 2HB GLN 11 1.690 12.912 -13.001 105 HB3 GLN 11 1HB GLN 11 2.370 11.382 -13.555 106 HG2 GLN 11 2HG GLN 11 1.741 12.386 -15.526 107 HG3 GLN 11 1HG GLN 11 0.351 11.360 -15.175 108 HE21 GLN 11 1HE2 GLN 11 1.572 14.628 -15.168 109 HE22 GLN 11 2HE2 GLN 11 0.031 15.415 -15.118 110 H ALA 12 H ALA 12 2.851 10.816 -11.720 111 HA ALA 12 HA ALA 12 2.970 7.996 -11.947 112 HB1 ALA 12 1HB ALA 12 4.715 10.130 -10.883 113 HB2 ALA 12 2HB ALA 12 5.086 8.799 -11.979 114 HB3 ALA 12 3HB ALA 12 4.977 8.508 -10.244 115 H LYS 13 H LYS 13 3.319 6.492 -10.136 116 HA LYS 13 HA LYS 13 1.753 7.264 -7.765 117 HB2 LYS 13 2HB LYS 13 0.991 4.897 -7.653 118 HB3 LYS 13 1HB LYS 13 0.426 5.751 -9.081 119 HG2 LYS 13 2HG LYS 13 2.947 4.390 -9.540 120 HG3 LYS 13 1HG LYS 13 1.666 3.291 -9.025 121 HD2 LYS 13 2HD LYS 13 0.211 4.226 -10.797 122 HD3 LYS 13 1HD LYS 13 1.563 5.221 -11.343 123 HE2 LYS 13 2HE LYS 13 2.551 3.503 -12.391 124 HE3 LYS 13 1HE LYS 13 2.214 2.382 -11.072 125 HZ1 LYS 13 3HZ LYS 13 -0.036 2.134 -11.895 126 HZ2 LYS 13 1HZ LYS 13 1.074 1.748 -13.111 127 HZ3 LYS 13 2HZ LYS 13 0.265 3.231 -13.145 128 H GLU 14 H GLU 14 2.210 5.916 -5.817 129 HA GLU 14 HA GLU 14 5.099 5.584 -5.560 130 HB2 GLU 14 2HB GLU 14 2.995 5.391 -3.400 131 HB3 GLU 14 1HB GLU 14 4.733 5.584 -3.179 132 HG2 GLU 14 2HG GLU 14 3.183 7.644 -4.685 133 HG3 GLU 14 1HG GLU 14 3.154 7.625 -2.922 134 H GLU 15 H GLU 15 6.092 3.678 -4.872 135 HA GLU 15 HA GLU 15 4.399 1.273 -5.051 136 HB2 GLU 15 2HB GLU 15 6.798 2.008 -6.476 137 HB3 GLU 15 1HB GLU 15 7.053 0.518 -5.580 138 HG2 GLU 15 2HG GLU 15 4.509 0.522 -6.960 139 HG3 GLU 15 1HG GLU 15 5.862 0.780 -8.060 140 H ALA 16 H ALA 16 4.281 0.086 -3.289 141 HA ALA 16 HA ALA 16 6.566 -0.065 -1.466 142 HB1 ALA 16 1HB ALA 16 4.784 1.693 -0.768 143 HB2 ALA 16 2HB ALA 16 5.411 0.567 0.437 144 HB3 ALA 16 3HB ALA 16 3.834 0.283 -0.300 145 H ILE 17 H ILE 17 6.920 -2.096 -0.753 146 HA ILE 17 HA ILE 17 4.725 -4.042 -0.985 147 HB ILE 17 HB ILE 17 6.482 -5.731 -1.683 148 HG12 ILE 17 2HG1 ILE 17 8.090 -3.514 -2.821 149 HG13 ILE 17 1HG1 ILE 17 8.281 -3.811 -1.095 150 HG21 ILE 17 1HG2 ILE 17 6.513 -4.063 -3.999 151 HG22 ILE 17 2HG2 ILE 17 4.962 -3.888 -3.180 152 HG23 ILE 17 3HG2 ILE 17 5.526 -5.486 -3.667 153 HD11 ILE 17 3HD1 ILE 17 8.374 -6.264 -2.618 154 HD12 ILE 17 1HD1 ILE 17 9.532 -5.602 -1.465 155 HD13 ILE 17 2HD1 ILE 17 9.589 -5.103 -3.156 156 H LYS 18 H LYS 18 4.331 -4.979 0.889 157 HA LYS 18 HA LYS 18 6.553 -5.774 2.603 158 HB2 LYS 18 2HB LYS 18 5.637 -4.831 4.596 159 HB3 LYS 18 1HB LYS 18 5.723 -3.542 3.406 160 HG2 LYS 18 2HG LYS 18 3.261 -4.140 2.918 161 HG3 LYS 18 1HG LYS 18 3.322 -4.958 4.479 162 HD2 LYS 18 2HD LYS 18 3.906 -2.047 3.944 163 HD3 LYS 18 1HD LYS 18 2.494 -2.703 4.773 164 HE2 LYS 18 2HE LYS 18 5.343 -2.998 5.718 165 HE3 LYS 18 1HE LYS 18 4.207 -1.791 6.315 166 HZ1 LYS 18 3HZ LYS 18 3.522 -3.290 7.776 167 HZ2 LYS 18 1HZ LYS 18 4.494 -4.493 7.090 168 HZ3 LYS 18 2HZ LYS 18 2.926 -4.240 6.509 169 H GLU 19 H GLU 19 6.297 -7.904 2.700 170 HA GLU 19 HA GLU 19 3.624 -9.051 2.723 171 HB2 GLU 19 2HB GLU 19 4.720 -11.177 2.275 172 HB3 GLU 19 1HB GLU 19 5.278 -9.958 1.135 173 HG2 GLU 19 2HG GLU 19 7.236 -9.647 2.791 174 HG3 GLU 19 1HG GLU 19 6.738 -11.219 3.416 175 H LEU 20 H LEU 20 2.776 -9.067 4.666 176 HA LEU 20 HA LEU 20 4.414 -9.949 6.945 177 HB2 LEU 20 2HB LEU 20 2.788 -7.720 6.675 178 HB3 LEU 20 1HB LEU 20 1.803 -8.835 7.602 179 HG LEU 20 HG LEU 20 4.052 -9.056 9.014 180 HD11 LEU 20 1HD1 LEU 20 4.317 -6.538 7.464 181 HD12 LEU 20 2HD1 LEU 20 5.558 -7.650 8.040 182 HD13 LEU 20 3HD1 LEU 20 4.795 -6.524 9.162 183 HD21 LEU 20 3HD2 LEU 20 3.134 -7.419 10.556 184 HD22 LEU 20 1HD2 LEU 20 1.844 -8.399 9.858 185 HD23 LEU 20 2HD2 LEU 20 2.117 -6.758 9.275 186 H VAL 21 H VAL 21 2.710 -10.839 8.732 187 HA VAL 21 HA VAL 21 1.431 -13.130 7.408 188 HB VAL 21 HB VAL 21 1.483 -14.135 9.744 189 HG11 VAL 21 1HG1 VAL 21 3.515 -15.115 9.325 190 HG12 VAL 21 2HG1 VAL 21 4.270 -13.596 8.840 191 HG13 VAL 21 3HG1 VAL 21 3.160 -14.419 7.744 192 HG21 VAL 21 3HG2 VAL 21 3.723 -12.353 10.446 193 HG22 VAL 21 1HG2 VAL 21 2.507 -13.110 11.475 194 HG23 VAL 21 2HG2 VAL 21 2.112 -11.648 10.572 195 H ASP 22 H ASP 22 0.295 -10.349 7.945 196 HA ASP 22 HA ASP 22 -2.304 -11.249 8.732 197 HB2 ASP 22 2HB ASP 22 -0.576 -10.178 10.751 198 HB3 ASP 22 1HB ASP 22 -1.898 -9.046 10.479 199 H ALA 23 H ALA 23 -3.751 -10.151 7.620 200 HA ALA 23 HA ALA 23 -3.018 -8.034 5.895 201 HB1 ALA 23 1HB ALA 23 -5.805 -8.891 6.647 202 HB2 ALA 23 2HB ALA 23 -4.811 -9.684 5.426 203 HB3 ALA 23 3HB ALA 23 -5.315 -8.009 5.202 204 H GLY 24 H GLY 24 -3.810 -8.007 9.178 205 HA2 GLY 24 2HA GLY 24 -4.986 -5.347 9.153 206 HA3 GLY 24 1HA GLY 24 -4.711 -6.353 10.569 207 H THR 25 H THR 25 -2.234 -6.830 10.852 208 HA THR 25 HA THR 25 -0.998 -4.444 11.590 209 HB THR 25 HB THR 25 0.552 -6.934 10.928 210 HG1 THR 25 1HG THR 25 -1.174 -6.492 13.124 211 HG21 THR 25 3HG2 THR 25 0.811 -4.995 13.211 212 HG22 THR 25 1HG2 THR 25 1.819 -5.009 11.765 213 HG23 THR 25 2HG2 THR 25 1.856 -6.379 12.870 214 H ALA 26 H ALA 26 -0.918 -6.239 8.599 215 HA ALA 26 HA ALA 26 1.266 -4.763 7.473 216 HB1 ALA 26 1HB ALA 26 0.533 -7.145 6.878 217 HB2 ALA 26 2HB ALA 26 0.981 -6.069 5.554 218 HB3 ALA 26 3HB ALA 26 -0.721 -6.375 5.904 219 H GLU 27 H GLU 27 -2.269 -4.621 7.371 220 HA GLU 27 HA GLU 27 -2.271 -2.574 5.336 221 HB2 GLU 27 2HB GLU 27 -4.613 -2.553 5.490 222 HB3 GLU 27 1HB GLU 27 -4.166 -4.224 5.777 223 HG2 GLU 27 2HG GLU 27 -5.362 -4.173 7.636 224 HG3 GLU 27 1HG GLU 27 -4.227 -3.000 8.298 225 H LYS 28 H LYS 28 -2.151 -2.680 8.796 226 HA LYS 28 HA LYS 28 -2.939 0.014 9.271 227 HB2 LYS 28 2HB LYS 28 -1.804 -2.209 10.842 228 HB3 LYS 28 1HB LYS 28 -1.362 -0.605 11.408 229 HG2 LYS 28 2HG LYS 28 -4.131 -0.551 10.883 230 HG3 LYS 28 1HG LYS 28 -3.798 -2.037 11.769 231 HD2 LYS 28 2HD LYS 28 -4.240 -0.362 13.395 232 HD3 LYS 28 1HD LYS 28 -2.493 -0.618 13.401 233 HE2 LYS 28 2HE LYS 28 -3.357 1.434 11.520 234 HE3 LYS 28 1HE LYS 28 -3.763 1.808 13.189 235 HZ1 LYS 28 3HZ LYS 28 -1.620 2.100 13.729 236 HZ2 LYS 28 1HZ LYS 28 -1.392 2.323 12.067 237 HZ3 LYS 28 2HZ LYS 28 -1.074 0.818 12.769 238 H TYR 29 H TYR 29 0.224 -1.612 9.137 239 HA TYR 29 HA TYR 29 1.817 0.652 9.510 240 HB2 TYR 29 2HB TYR 29 2.333 -1.990 9.241 241 HB3 TYR 29 1HB TYR 29 2.850 -1.416 7.652 242 HD1 TYR 29 1HD TYR 29 3.391 -1.012 11.297 243 HD2 TYR 29 2HD TYR 29 4.891 -0.249 7.389 244 HE1 TYR 29 1HE TYR 29 5.532 -0.288 12.259 245 HE2 TYR 29 2HE TYR 29 7.036 0.478 8.348 246 HH TYR 29 HH TYR 29 8.283 -0.116 10.732 247 H PHE 30 H PHE 30 0.569 -0.809 6.520 248 HA PHE 30 HA PHE 30 1.856 0.903 4.718 249 HB2 PHE 30 2HB PHE 30 -0.352 -1.019 4.633 250 HB3 PHE 30 1HB PHE 30 -0.555 0.307 3.493 251 HD1 PHE 30 2HD PHE 30 2.579 0.596 3.127 252 HD2 PHE 30 1HD PHE 30 -0.174 -2.642 2.869 253 HE1 PHE 30 2HE PHE 30 4.079 -0.549 1.555 254 HE2 PHE 30 1HE PHE 30 1.322 -3.787 1.289 255 HZ PHE 30 HZ PHE 30 3.450 -2.742 0.630 256 H LYS 31 H LYS 31 -1.294 1.164 6.314 257 HA LYS 31 HA LYS 31 -2.176 3.499 5.049 258 HB2 LYS 31 2HB LYS 31 -3.540 1.959 6.503 259 HB3 LYS 31 1HB LYS 31 -2.770 2.700 7.900 260 HG2 LYS 31 2HG LYS 31 -3.885 4.687 7.637 261 HG3 LYS 31 1HG LYS 31 -4.132 4.444 5.906 262 HD2 LYS 31 2HD LYS 31 -6.076 3.375 6.225 263 HD3 LYS 31 1HD LYS 31 -5.429 2.415 7.557 264 HE2 LYS 31 2HE LYS 31 -5.856 5.273 8.131 265 HE3 LYS 31 1HE LYS 31 -7.317 4.328 7.843 266 HZ1 LYS 31 3HZ LYS 31 -6.924 4.185 10.127 267 HZ2 LYS 31 1HZ LYS 31 -5.263 3.924 9.925 268 HZ3 LYS 31 2HZ LYS 31 -6.364 2.710 9.517 269 H LEU 32 H LEU 32 -0.067 3.009 7.815 270 HA LEU 32 HA LEU 32 -0.004 5.659 8.753 271 HB2 LEU 32 2HB LEU 32 1.085 3.282 9.549 272 HB3 LEU 32 1HB LEU 32 2.506 4.145 8.982 273 HG LEU 32 HG LEU 32 1.274 6.039 10.535 274 HD11 LEU 32 1HD1 LEU 32 -0.213 3.958 11.196 275 HD12 LEU 32 2HD1 LEU 32 0.283 5.162 12.384 276 HD13 LEU 32 3HD1 LEU 32 1.151 3.631 12.263 277 HD21 LEU 32 3HD2 LEU 32 3.138 4.192 11.901 278 HD22 LEU 32 1HD2 LEU 32 3.190 5.948 11.738 279 HD23 LEU 32 2HD2 LEU 32 3.695 4.923 10.391 280 H ILE 33 H ILE 33 2.479 3.968 6.824 281 HA ILE 33 HA ILE 33 4.015 6.198 6.199 282 HB ILE 33 HB ILE 33 4.770 3.900 5.797 283 HG12 ILE 33 2HG1 ILE 33 5.888 4.289 3.653 284 HG13 ILE 33 1HG1 ILE 33 4.731 5.557 3.263 285 HG21 ILE 33 1HG2 ILE 33 2.817 3.923 3.500 286 HG22 ILE 33 2HG2 ILE 33 2.687 2.956 4.969 287 HG23 ILE 33 3HG2 ILE 33 4.001 2.658 3.833 288 HD11 ILE 33 3HD1 ILE 33 5.994 6.056 5.803 289 HD12 ILE 33 1HD1 ILE 33 5.920 7.068 4.359 290 HD13 ILE 33 2HD1 ILE 33 7.186 5.851 4.519 291 H ALA 34 H ALA 34 1.185 4.877 4.542 292 HA ALA 34 HA ALA 34 1.307 6.564 2.278 293 HB1 ALA 34 1HB ALA 34 -0.713 4.770 3.493 294 HB2 ALA 34 2HB ALA 34 -0.088 4.826 1.844 295 HB3 ALA 34 3HB ALA 34 -1.298 5.998 2.369 296 H ASN 35 H ASN 35 -0.014 6.954 5.491 297 HA ASN 35 HA ASN 35 -1.625 9.222 4.954 298 HB2 ASN 35 2HB ASN 35 -1.194 7.578 7.135 299 HB3 ASN 35 1HB ASN 35 -0.504 9.113 7.655 300 HD21 ASN 35 1HD2 ASN 35 -2.927 7.643 8.498 301 HD22 ASN 35 2HD2 ASN 35 -4.225 8.771 8.327 302 H ALA 36 H ALA 36 1.760 8.784 5.723 303 HA ALA 36 HA ALA 36 2.223 11.612 6.126 304 HB1 ALA 36 1HB ALA 36 4.391 11.053 6.733 305 HB2 ALA 36 2HB ALA 36 4.397 9.589 5.749 306 HB3 ALA 36 3HB ALA 36 3.466 9.641 7.246 307 H LYS 37 H LYS 37 2.524 9.260 3.562 308 HA LYS 37 HA LYS 37 4.185 10.808 1.855 309 HB2 LYS 37 2HB LYS 37 2.311 8.502 1.328 310 HB3 LYS 37 1HB LYS 37 3.292 9.243 0.070 311 HG2 LYS 37 2HG LYS 37 4.796 8.472 2.457 312 HG3 LYS 37 1HG LYS 37 4.041 7.124 1.604 313 HD2 LYS 37 2HD LYS 37 6.056 7.261 0.506 314 HD3 LYS 37 1HD LYS 37 5.053 8.297 -0.511 315 HE2 LYS 37 2HE LYS 37 6.281 9.734 1.702 316 HE3 LYS 37 1HE LYS 37 7.467 8.981 0.636 317 HZ1 LYS 37 3HZ LYS 37 5.244 10.563 -0.482 318 HZ2 LYS 37 1HZ LYS 37 6.752 10.215 -1.166 319 HZ3 LYS 37 2HZ LYS 37 6.633 11.334 0.097 320 H THR 38 H THR 38 0.791 9.910 1.262 321 HA THR 38 HA THR 38 0.073 12.658 0.726 322 HB THR 38 HB THR 38 -0.871 11.804 -1.583 323 HG1 THR 38 1HG THR 38 -0.006 10.051 -2.318 324 HG21 THR 38 3HG2 THR 38 0.772 12.931 -2.662 325 HG22 THR 38 1HG2 THR 38 2.060 12.205 -1.702 326 HG23 THR 38 2HG2 THR 38 1.071 13.500 -1.019 327 H VAL 39 H VAL 39 -1.988 13.002 1.267 328 HA VAL 39 HA VAL 39 -4.009 10.968 0.975 329 HB VAL 39 HB VAL 39 -4.684 11.233 3.440 330 HG11 VAL 39 1HG1 VAL 39 -2.161 9.677 2.914 331 HG12 VAL 39 2HG1 VAL 39 -3.753 9.180 2.341 332 HG13 VAL 39 3HG1 VAL 39 -3.439 9.306 4.072 333 HG21 VAL 39 3HG2 VAL 39 -3.078 13.069 3.904 334 HG22 VAL 39 1HG2 VAL 39 -1.760 11.916 3.716 335 HG23 VAL 39 2HG2 VAL 39 -2.931 11.712 5.018 336 H GLU 40 H GLU 40 -4.969 12.533 -0.359 337 HA GLU 40 HA GLU 40 -6.604 14.442 1.080 338 HB2 GLU 40 2HB GLU 40 -4.381 15.579 0.473 339 HB3 GLU 40 1HB GLU 40 -4.940 15.489 -1.197 340 HG2 GLU 40 2HG GLU 40 -5.425 17.655 -0.253 341 HG3 GLU 40 1HG GLU 40 -6.924 16.796 -0.594 342 H GLY 41 H GLY 41 -6.875 12.013 -0.633 343 HA2 GLY 41 2HA GLY 41 -8.869 13.150 -2.466 344 HA3 GLY 41 1HA GLY 41 -7.669 12.032 -3.110 345 H VAL 42 H VAL 42 -8.602 10.133 -3.476 346 HA VAL 42 HA VAL 42 -10.514 9.106 -1.483 347 HB VAL 42 HB VAL 42 -11.533 9.505 -3.686 348 HG11 VAL 42 1HG1 VAL 42 -10.153 7.280 -5.005 349 HG12 VAL 42 2HG1 VAL 42 -9.155 8.705 -4.736 350 HG13 VAL 42 3HG1 VAL 42 -10.661 8.840 -5.644 351 HG21 VAL 42 3HG2 VAL 42 -12.835 7.671 -3.537 352 HG22 VAL 42 1HG2 VAL 42 -11.864 7.348 -2.100 353 HG23 VAL 42 2HG2 VAL 42 -11.467 6.562 -3.628 354 H TRP 43 H TRP 43 -10.346 6.983 -0.799 355 HA TRP 43 HA TRP 43 -7.740 5.733 -1.313 356 HB2 TRP 43 2HB TRP 43 -9.651 5.674 0.995 357 HB3 TRP 43 1HB TRP 43 -8.532 4.328 0.762 358 HD1 TRP 43 HD TRP 43 -8.207 8.209 0.859 359 HE1 TRP 43 1HE TRP 43 -6.092 8.782 2.209 360 HE3 TRP 43 3HE TRP 43 -6.612 3.470 1.923 361 HZ2 TRP 43 2HZ TRP 43 -4.022 7.409 3.548 362 HZ3 TRP 43 3HZ TRP 43 -4.554 3.186 3.243 363 HH2 TRP 43 HH TRP 43 -3.287 5.116 4.038 364 H THR 44 H THR 44 -7.567 3.785 -2.257 365 HA THR 44 HA THR 44 -10.056 2.303 -2.805 366 HB THR 44 HB THR 44 -7.665 2.314 -4.636 367 HG1 THR 44 1HG THR 44 -8.205 4.250 -5.181 368 HG21 THR 44 3HG2 THR 44 -9.105 0.529 -5.164 369 HG22 THR 44 1HG2 THR 44 -9.446 1.803 -6.335 370 HG23 THR 44 2HG2 THR 44 -10.542 1.536 -4.979 371 H TYR 45 H TYR 45 -9.678 -0.031 -3.293 372 HA TYR 45 HA TYR 45 -7.270 -1.171 -2.124 373 HB2 TYR 45 2HB TYR 45 -8.754 -0.921 -0.194 374 HB3 TYR 45 1HB TYR 45 -10.037 -1.777 -1.053 375 HD1 TYR 45 1HD TYR 45 -6.629 -2.183 0.366 376 HD2 TYR 45 2HD TYR 45 -10.161 -4.125 -0.991 377 HE1 TYR 45 1HE TYR 45 -5.793 -4.315 1.260 378 HE2 TYR 45 2HE TYR 45 -9.338 -6.263 -0.100 379 HH TYR 45 HH TYR 45 -6.105 -6.681 0.975 380 H LYS 46 H LYS 46 -6.917 -3.355 -2.688 381 HA LYS 46 HA LYS 46 -8.773 -4.477 -4.670 382 HB2 LYS 46 2HB LYS 46 -5.768 -4.292 -4.953 383 HB3 LYS 46 1HB LYS 46 -6.828 -5.200 -6.032 384 HG2 LYS 46 2HG LYS 46 -6.739 -3.317 -7.253 385 HG3 LYS 46 1HG LYS 46 -8.008 -2.788 -6.146 386 HD2 LYS 46 2HD LYS 46 -6.481 -1.553 -4.832 387 HD3 LYS 46 1HD LYS 46 -5.087 -2.321 -5.596 388 HE2 LYS 46 2HE LYS 46 -6.911 -0.894 -7.415 389 HE3 LYS 46 1HE LYS 46 -6.036 0.120 -6.268 390 HZ1 LYS 46 3HZ LYS 46 -4.469 0.040 -7.860 391 HZ2 LYS 46 1HZ LYS 46 -5.041 -1.405 -8.530 392 HZ3 LYS 46 2HZ LYS 46 -4.071 -1.441 -7.145 393 H ASP 47 H ASP 47 -9.472 -6.327 -3.847 394 HA ASP 47 HA ASP 47 -7.918 -7.824 -1.939 395 HB2 ASP 47 2HB ASP 47 -10.520 -7.479 -2.092 396 HB3 ASP 47 1HB ASP 47 -10.433 -8.895 -3.142 397 H GLU 48 H GLU 48 -7.764 -7.649 -5.212 398 HA GLU 48 HA GLU 48 -7.762 -10.303 -6.087 399 HB2 GLU 48 2HB GLU 48 -7.740 -8.387 -7.616 400 HB3 GLU 48 1HB GLU 48 -6.113 -7.977 -7.092 401 HG2 GLU 48 2HG GLU 48 -5.487 -10.337 -7.893 402 HG3 GLU 48 1HG GLU 48 -7.028 -10.292 -8.749 403 H ILE 49 H ILE 49 -5.153 -8.319 -4.737 404 HA ILE 49 HA ILE 49 -3.706 -10.778 -4.095 405 HB ILE 49 HB ILE 49 -1.545 -9.575 -4.718 406 HG12 ILE 49 2HG1 ILE 49 -2.738 -7.355 -5.047 407 HG13 ILE 49 1HG1 ILE 49 -1.608 -7.818 -6.315 408 HG21 ILE 49 1HG2 ILE 49 -2.190 -10.063 -7.297 409 HG22 ILE 49 2HG2 ILE 49 -3.485 -10.924 -6.465 410 HG23 ILE 49 3HG2 ILE 49 -1.800 -11.314 -6.117 411 HD11 ILE 49 3HD1 ILE 49 -4.179 -8.812 -6.999 412 HD12 ILE 49 1HD1 ILE 49 -3.204 -7.594 -7.824 413 HD13 ILE 49 2HD1 ILE 49 -4.328 -7.112 -6.553 414 H LYS 50 H LYS 50 -5.253 -8.667 -2.620 415 HA LYS 50 HA LYS 50 -5.137 -7.509 -0.665 416 HB2 LYS 50 2HB LYS 50 -2.657 -9.191 -0.265 417 HB3 LYS 50 1HB LYS 50 -3.507 -8.309 0.997 418 HG2 LYS 50 2HG LYS 50 -4.846 -10.428 -0.653 419 HG3 LYS 50 1HG LYS 50 -3.951 -10.799 0.822 420 HD2 LYS 50 2HD LYS 50 -5.689 -10.200 2.074 421 HD3 LYS 50 1HD LYS 50 -5.736 -8.611 1.311 422 HE2 LYS 50 2HE LYS 50 -7.865 -9.714 1.020 423 HE3 LYS 50 1HE LYS 50 -7.054 -9.573 -0.539 424 HZ1 LYS 50 3HZ LYS 50 -7.427 -11.985 1.124 425 HZ2 LYS 50 1HZ LYS 50 -6.233 -11.921 -0.072 426 HZ3 LYS 50 2HZ LYS 50 -7.860 -11.739 -0.493 427 H THR 51 H THR 51 -4.702 -5.567 -1.918 428 HA THR 51 HA THR 51 -2.171 -4.371 -1.112 429 HB THR 51 HB THR 51 -1.632 -5.178 -3.314 430 HG1 THR 51 1HG THR 51 -2.272 -2.428 -3.542 431 HG21 THR 51 3HG2 THR 51 -2.887 -5.013 -5.198 432 HG22 THR 51 1HG2 THR 51 -3.728 -3.564 -4.648 433 HG23 THR 51 2HG2 THR 51 -4.172 -5.143 -3.998 434 H PHE 52 H PHE 52 -2.347 -2.275 -0.565 435 HA PHE 52 HA PHE 52 -4.983 -1.022 -0.867 436 HB2 PHE 52 2HB PHE 52 -3.007 -1.097 1.243 437 HB3 PHE 52 1HB PHE 52 -3.373 0.568 0.807 438 HD1 PHE 52 2HD PHE 52 -6.138 0.667 0.240 439 HD2 PHE 52 1HD PHE 52 -4.125 -1.705 3.145 440 HE1 PHE 52 2HE PHE 52 -8.199 0.567 1.580 441 HE2 PHE 52 1HE PHE 52 -6.183 -1.812 4.488 442 HZ PHE 52 HZ PHE 52 -8.223 -0.674 3.708 443 H THR 53 H THR 53 -5.154 1.171 -1.590 444 HA THR 53 HA THR 53 -2.758 2.355 -2.757 445 HB THR 53 HB THR 53 -4.121 2.795 -4.890 446 HG1 THR 53 1HG THR 53 -5.529 0.523 -3.953 447 HG21 THR 53 3HG2 THR 53 -2.221 1.113 -4.618 448 HG22 THR 53 1HG2 THR 53 -3.334 0.892 -5.968 449 HG23 THR 53 2HG2 THR 53 -3.493 -0.107 -4.523 450 H VAL 54 H VAL 54 -2.756 4.538 -2.774 451 HA VAL 54 HA VAL 54 -5.235 5.887 -1.919 452 HB VAL 54 HB VAL 54 -2.433 6.779 -1.232 453 HG11 VAL 54 1HG1 VAL 54 -4.982 7.614 0.108 454 HG12 VAL 54 2HG1 VAL 54 -4.403 8.425 -1.348 455 HG13 VAL 54 3HG1 VAL 54 -3.411 8.415 0.111 456 HG21 VAL 54 3HG2 VAL 54 -4.368 5.508 0.682 457 HG22 VAL 54 1HG2 VAL 54 -2.647 5.823 0.901 458 HG23 VAL 54 2HG2 VAL 54 -3.178 4.562 -0.211 459 H THR 55 H THR 55 -5.953 6.710 -3.808 460 HA THR 55 HA THR 55 -4.096 8.111 -5.573 461 HB THR 55 HB THR 55 -7.012 7.402 -5.950 462 HG1 THR 55 1HG THR 55 -6.275 5.738 -7.162 463 HG21 THR 55 3HG2 THR 55 -5.042 8.722 -7.769 464 HG22 THR 55 1HG2 THR 55 -6.704 9.175 -7.401 465 HG23 THR 55 2HG2 THR 55 -6.380 7.765 -8.402 466 H GLU 56 H GLU 56 -4.768 10.205 -6.479 467 HA GLU 56 HA GLU 56 -6.442 11.793 -4.661 468 HB2 GLU 56 2HB GLU 56 -3.811 11.937 -4.356 469 HB3 GLU 56 1HB GLU 56 -3.944 13.027 -5.723 470 HG2 GLU 56 2HG GLU 56 -5.893 13.586 -3.643 471 HG3 GLU 56 1HG GLU 56 -4.230 13.694 -3.072 Start of MODEL 12 1 H1 THR 1 1HT THR 1 0.713 -14.002 4.779 2 H2 THR 1 2HT THR 1 1.593 -12.539 4.948 3 H3 THR 1 3HT THR 1 2.092 -13.714 3.802 4 HA THR 1 HA THR 1 0.165 -13.385 2.519 5 HB THR 1 HB THR 1 -1.466 -13.000 4.206 6 HG1 THR 1 1HG THR 1 -1.139 -10.503 2.910 7 HG21 THR 1 3HG2 THR 1 0.277 -10.732 5.057 8 HG22 THR 1 1HG2 THR 1 -0.437 -12.023 6.025 9 HG23 THR 1 2HG2 THR 1 -1.452 -10.719 5.406 10 H THR 2 H THR 2 0.908 -12.350 0.793 11 HA THR 2 HA THR 2 2.840 -10.251 1.017 12 HB THR 2 HB THR 2 1.423 -11.057 -1.517 13 HG1 THR 2 1HG THR 2 3.684 -12.353 -0.412 14 HG21 THR 2 3HG2 THR 2 4.104 -9.891 -0.886 15 HG22 THR 2 1HG2 THR 2 2.875 -9.317 -2.014 16 HG23 THR 2 2HG2 THR 2 3.809 -10.765 -2.389 17 H TYR 3 H TYR 3 2.524 -8.120 1.037 18 HA TYR 3 HA TYR 3 -0.122 -7.101 0.229 19 HB2 TYR 3 2HB TYR 3 1.204 -6.893 2.755 20 HB3 TYR 3 1HB TYR 3 1.097 -5.284 2.050 21 HD1 TYR 3 2HD TYR 3 -1.129 -4.343 1.467 22 HD2 TYR 3 1HD TYR 3 -0.736 -8.010 3.596 23 HE1 TYR 3 2HE TYR 3 -3.476 -4.176 2.175 24 HE2 TYR 3 1HE TYR 3 -3.084 -7.852 4.299 25 HH TYR 3 HH TYR 3 -5.176 -6.751 3.520 26 H LYS 4 H LYS 4 -0.193 -5.234 -0.990 27 HA LYS 4 HA LYS 4 2.403 -4.087 -1.783 28 HB2 LYS 4 2HB LYS 4 1.074 -5.675 -3.443 29 HB3 LYS 4 1HB LYS 4 0.175 -4.199 -3.762 30 HG2 LYS 4 2HG LYS 4 2.736 -3.308 -3.929 31 HG3 LYS 4 1HG LYS 4 2.896 -4.957 -4.535 32 HD2 LYS 4 2HD LYS 4 0.560 -3.633 -5.626 33 HD3 LYS 4 1HD LYS 4 2.038 -2.731 -5.964 34 HE2 LYS 4 2HE LYS 4 2.368 -5.588 -6.373 35 HE3 LYS 4 1HE LYS 4 1.077 -4.915 -7.369 36 HZ1 LYS 4 3HZ LYS 4 3.508 -4.904 -8.223 37 HZ2 LYS 4 1HZ LYS 4 3.671 -3.537 -7.240 38 HZ3 LYS 4 2HZ LYS 4 2.527 -3.551 -8.485 39 H LEU 5 H LEU 5 2.299 -1.885 -2.616 40 HA LEU 5 HA LEU 5 -0.114 -0.403 -1.872 41 HB2 LEU 5 2HB LEU 5 2.282 -0.401 -0.362 42 HB3 LEU 5 1HB LEU 5 2.177 1.154 -1.164 43 HG LEU 5 HG LEU 5 -0.019 -0.014 0.545 44 HD11 LEU 5 1HD1 LEU 5 0.717 1.293 2.337 45 HD12 LEU 5 2HD1 LEU 5 1.807 2.235 1.320 46 HD13 LEU 5 3HD1 LEU 5 2.190 0.556 1.704 47 HD21 LEU 5 3HD2 LEU 5 -1.235 1.833 0.103 48 HD22 LEU 5 1HD2 LEU 5 -0.255 1.877 -1.363 49 HD23 LEU 5 2HD2 LEU 5 0.184 2.878 0.022 50 H ILE 6 H ILE 6 -0.647 1.154 -3.281 51 HA ILE 6 HA ILE 6 1.416 2.275 -5.000 52 HB ILE 6 HB ILE 6 -1.171 1.395 -6.246 53 HG12 ILE 6 2HG1 ILE 6 0.603 -0.355 -7.275 54 HG13 ILE 6 1HG1 ILE 6 1.269 -0.188 -5.654 55 HG21 ILE 6 1HG2 ILE 6 1.414 1.767 -7.675 56 HG22 ILE 6 2HG2 ILE 6 0.485 3.183 -7.184 57 HG23 ILE 6 3HG2 ILE 6 -0.237 1.983 -8.256 58 HD11 ILE 6 3HD1 ILE 6 -1.640 -0.720 -5.981 59 HD12 ILE 6 1HD1 ILE 6 -0.555 -1.156 -4.661 60 HD13 ILE 6 2HD1 ILE 6 -0.485 -2.036 -6.189 61 H LEU 7 H LEU 7 1.324 4.381 -4.533 62 HA LEU 7 HA LEU 7 -1.320 5.599 -4.164 63 HB2 LEU 7 2HB LEU 7 1.373 6.650 -3.318 64 HB3 LEU 7 1HB LEU 7 -0.179 7.409 -2.989 65 HG LEU 7 HG LEU 7 -0.641 5.024 -1.860 66 HD11 LEU 7 1HD1 LEU 7 1.489 4.049 -2.359 67 HD12 LEU 7 2HD1 LEU 7 1.406 4.352 -0.625 68 HD13 LEU 7 3HD1 LEU 7 2.337 5.430 -1.664 69 HD21 LEU 7 3HD2 LEU 7 -0.461 7.529 -0.980 70 HD22 LEU 7 1HD2 LEU 7 0.983 6.873 -0.209 71 HD23 LEU 7 2HD2 LEU 7 -0.594 6.151 0.112 72 H ASN 8 H ASN 8 -2.107 6.978 -5.594 73 HA ASN 8 HA ASN 8 -0.277 7.989 -7.669 74 HB2 ASN 8 2HB ASN 8 -2.107 6.533 -8.477 75 HB3 ASN 8 1HB ASN 8 -3.283 7.655 -7.792 76 HD21 ASN 8 1HD2 ASN 8 -3.304 9.832 -8.642 77 HD22 ASN 8 2HD2 ASN 8 -2.874 10.099 -10.293 78 H LEU 9 H LEU 9 0.283 10.042 -7.440 79 HA LEU 9 HA LEU 9 -1.739 11.957 -6.501 80 HB2 LEU 9 2HB LEU 9 0.242 13.179 -5.417 81 HB3 LEU 9 1HB LEU 9 -0.418 11.772 -4.593 82 HG LEU 9 HG LEU 9 1.905 11.394 -6.427 83 HD11 LEU 9 1HD1 LEU 9 3.155 11.733 -4.063 84 HD12 LEU 9 2HD1 LEU 9 1.915 12.974 -3.946 85 HD13 LEU 9 3HD1 LEU 9 3.041 12.982 -5.304 86 HD21 LEU 9 3HD2 LEU 9 1.020 9.405 -5.544 87 HD22 LEU 9 1HD2 LEU 9 0.842 10.103 -3.933 88 HD23 LEU 9 2HD2 LEU 9 2.449 9.752 -4.570 89 H LYS 10 H LYS 10 -2.163 13.163 -8.226 90 HA LYS 10 HA LYS 10 -1.893 14.621 -9.948 91 HB2 LYS 10 2HB LYS 10 0.257 15.153 -8.209 92 HB3 LYS 10 1HB LYS 10 0.945 15.121 -9.826 93 HG2 LYS 10 2HG LYS 10 -1.217 16.632 -10.297 94 HG3 LYS 10 1HG LYS 10 -0.934 17.033 -8.602 95 HD2 LYS 10 2HD LYS 10 1.150 17.948 -9.033 96 HD3 LYS 10 1HD LYS 10 1.339 17.061 -10.545 97 HE2 LYS 10 2HE LYS 10 0.039 18.532 -11.735 98 HE3 LYS 10 1HE LYS 10 -0.865 19.047 -10.311 99 HZ1 LYS 10 3HZ LYS 10 0.440 20.853 -10.518 100 HZ2 LYS 10 1HZ LYS 10 1.654 20.033 -11.367 101 HZ3 LYS 10 2HZ LYS 10 1.568 19.909 -9.684 102 H GLN 11 H GLN 11 1.360 13.184 -9.952 103 HA GLN 11 HA GLN 11 0.696 11.747 -12.416 104 HB2 GLN 11 2HB GLN 11 1.905 14.111 -12.665 105 HB3 GLN 11 1HB GLN 11 3.332 13.132 -12.319 106 HG2 GLN 11 2HG GLN 11 3.317 12.180 -14.339 107 HG3 GLN 11 1HG GLN 11 1.565 11.980 -14.341 108 HE21 GLN 11 1HE2 GLN 11 4.152 13.663 -15.640 109 HE22 GLN 11 2HE2 GLN 11 3.278 14.922 -16.427 110 H ALA 12 H ALA 12 3.225 12.376 -9.996 111 HA ALA 12 HA ALA 12 4.601 9.940 -10.431 112 HB1 ALA 12 1HB ALA 12 5.610 11.953 -9.392 113 HB2 ALA 12 2HB ALA 12 5.856 10.483 -8.453 114 HB3 ALA 12 3HB ALA 12 4.637 11.653 -7.952 115 H LYS 13 H LYS 13 4.213 7.950 -9.700 116 HA LYS 13 HA LYS 13 2.095 7.610 -7.686 117 HB2 LYS 13 2HB LYS 13 1.513 6.669 -9.860 118 HB3 LYS 13 1HB LYS 13 3.000 5.731 -9.874 119 HG2 LYS 13 2HG LYS 13 2.069 4.087 -8.716 120 HG3 LYS 13 1HG LYS 13 1.465 5.202 -7.489 121 HD2 LYS 13 2HD LYS 13 -0.543 4.506 -8.269 122 HD3 LYS 13 1HD LYS 13 -0.248 5.754 -9.482 123 HE2 LYS 13 2HE LYS 13 0.576 2.881 -9.836 124 HE3 LYS 13 1HE LYS 13 -0.983 3.508 -10.368 125 HZ1 LYS 13 3HZ LYS 13 0.033 4.895 -11.930 126 HZ2 LYS 13 1HZ LYS 13 0.877 3.435 -12.067 127 HZ3 LYS 13 2HZ LYS 13 1.566 4.734 -11.232 128 H GLU 14 H GLU 14 2.390 6.118 -5.988 129 HA GLU 14 HA GLU 14 5.209 5.554 -5.423 130 HB2 GLU 14 2HB GLU 14 2.790 5.382 -3.615 131 HB3 GLU 14 1HB GLU 14 4.465 5.146 -3.117 132 HG2 GLU 14 2HG GLU 14 4.733 7.558 -4.162 133 HG3 GLU 14 1HG GLU 14 3.013 7.644 -3.789 134 H GLU 15 H GLU 15 5.848 3.479 -4.578 135 HA GLU 15 HA GLU 15 4.047 1.243 -4.980 136 HB2 GLU 15 2HB GLU 15 5.603 2.001 -7.110 137 HB3 GLU 15 1HB GLU 15 6.608 0.782 -6.338 138 HG2 GLU 15 2HG GLU 15 3.724 0.232 -6.894 139 HG3 GLU 15 1HG GLU 15 4.931 0.079 -8.171 140 H ALA 16 H ALA 16 4.400 -0.277 -3.494 141 HA ALA 16 HA ALA 16 7.017 -0.918 -2.516 142 HB1 ALA 16 1HB ALA 16 7.049 0.068 -0.485 143 HB2 ALA 16 2HB ALA 16 5.303 -0.066 -0.274 144 HB3 ALA 16 3HB ALA 16 5.974 1.227 -1.268 145 H ILE 17 H ILE 17 7.062 -2.983 -1.839 146 HA ILE 17 HA ILE 17 4.473 -4.311 -1.367 147 HB ILE 17 HB ILE 17 6.967 -5.745 -2.242 148 HG12 ILE 17 2HG1 ILE 17 5.460 -5.635 -4.507 149 HG13 ILE 17 1HG1 ILE 17 5.151 -4.039 -3.831 150 HG21 ILE 17 1HG2 ILE 17 4.686 -6.743 -1.277 151 HG22 ILE 17 2HG2 ILE 17 5.653 -7.569 -2.500 152 HG23 ILE 17 3HG2 ILE 17 4.243 -6.624 -2.981 153 HD11 ILE 17 3HD1 ILE 17 7.277 -3.337 -4.169 154 HD12 ILE 17 1HD1 ILE 17 7.172 -4.527 -5.466 155 HD13 ILE 17 2HD1 ILE 17 7.965 -4.946 -3.947 156 H LYS 18 H LYS 18 4.170 -5.421 0.474 157 HA LYS 18 HA LYS 18 6.461 -6.101 2.151 158 HB2 LYS 18 2HB LYS 18 5.754 -3.908 2.956 159 HB3 LYS 18 1HB LYS 18 4.097 -4.475 3.101 160 HG2 LYS 18 2HG LYS 18 6.157 -5.985 4.586 161 HG3 LYS 18 1HG LYS 18 5.770 -4.363 5.163 162 HD2 LYS 18 2HD LYS 18 3.404 -5.932 4.506 163 HD3 LYS 18 1HD LYS 18 4.391 -6.674 5.766 164 HE2 LYS 18 2HE LYS 18 3.140 -3.938 5.751 165 HE3 LYS 18 1HE LYS 18 2.835 -5.269 6.867 166 HZ1 LYS 18 3HZ LYS 18 4.313 -4.271 8.176 167 HZ2 LYS 18 1HZ LYS 18 4.873 -3.256 6.944 168 HZ3 LYS 18 2HZ LYS 18 5.507 -4.815 7.110 169 H GLU 19 H GLU 19 6.261 -8.197 2.534 170 HA GLU 19 HA GLU 19 3.587 -9.370 2.727 171 HB2 GLU 19 2HB GLU 19 5.047 -10.389 1.056 172 HB3 GLU 19 1HB GLU 19 6.280 -10.671 2.278 173 HG2 GLU 19 2HG GLU 19 3.740 -11.828 3.036 174 HG3 GLU 19 1HG GLU 19 4.297 -12.427 1.474 175 H LEU 20 H LEU 20 2.912 -9.281 4.750 176 HA LEU 20 HA LEU 20 4.774 -9.947 6.920 177 HB2 LEU 20 2HB LEU 20 2.992 -7.866 6.677 178 HB3 LEU 20 1HB LEU 20 2.106 -9.003 7.675 179 HG LEU 20 HG LEU 20 4.057 -9.058 9.239 180 HD11 LEU 20 1HD1 LEU 20 5.699 -8.276 7.507 181 HD12 LEU 20 2HD1 LEU 20 5.805 -7.464 9.069 182 HD13 LEU 20 3HD1 LEU 20 5.027 -6.658 7.707 183 HD21 LEU 20 3HD2 LEU 20 3.682 -6.598 9.985 184 HD22 LEU 20 1HD2 LEU 20 2.329 -7.730 10.009 185 HD23 LEU 20 2HD2 LEU 20 2.488 -6.575 8.687 186 H VAL 21 H VAL 21 2.965 -10.689 8.871 187 HA VAL 21 HA VAL 21 2.054 -13.283 7.832 188 HB VAL 21 HB VAL 21 2.165 -14.077 10.166 189 HG11 VAL 21 1HG1 VAL 21 4.542 -14.279 10.279 190 HG12 VAL 21 2HG1 VAL 21 4.768 -12.817 9.317 191 HG13 VAL 21 3HG1 VAL 21 4.085 -14.264 8.574 192 HG21 VAL 21 3HG2 VAL 21 3.802 -12.152 11.384 193 HG22 VAL 21 1HG2 VAL 21 2.153 -12.595 11.823 194 HG23 VAL 21 2HG2 VAL 21 2.440 -11.266 10.700 195 H ASP 22 H ASP 22 0.581 -10.607 7.919 196 HA ASP 22 HA ASP 22 -1.972 -11.600 8.413 197 HB2 ASP 22 2HB ASP 22 -0.856 -11.268 10.811 198 HB3 ASP 22 1HB ASP 22 -1.384 -9.608 10.549 199 H ALA 23 H ALA 23 -3.511 -10.267 7.651 200 HA ALA 23 HA ALA 23 -2.659 -7.996 6.141 201 HB1 ALA 23 1HB ALA 23 -4.426 -9.616 5.422 202 HB2 ALA 23 2HB ALA 23 -4.885 -7.918 5.294 203 HB3 ALA 23 3HB ALA 23 -5.490 -8.896 6.631 204 H GLY 24 H GLY 24 -3.321 -8.263 9.366 205 HA2 GLY 24 2HA GLY 24 -4.770 -5.759 9.645 206 HA3 GLY 24 1HA GLY 24 -4.262 -6.822 10.951 207 H THR 25 H THR 25 -1.740 -7.011 11.037 208 HA THR 25 HA THR 25 -0.721 -4.569 11.874 209 HB THR 25 HB THR 25 1.561 -5.884 11.366 210 HG1 THR 25 1HG THR 25 1.099 -8.132 11.528 211 HG21 THR 25 3HG2 THR 25 -0.326 -5.930 13.571 212 HG22 THR 25 1HG2 THR 25 1.431 -5.784 13.576 213 HG23 THR 25 2HG2 THR 25 0.680 -7.377 13.477 214 H ALA 26 H ALA 26 -0.536 -6.152 8.743 215 HA ALA 26 HA ALA 26 1.281 -4.256 7.608 216 HB1 ALA 26 1HB ALA 26 -0.498 -6.341 6.355 217 HB2 ALA 26 2HB ALA 26 1.230 -6.462 6.683 218 HB3 ALA 26 3HB ALA 26 0.642 -5.344 5.453 219 H GLU 27 H GLU 27 -2.215 -4.632 7.785 220 HA GLU 27 HA GLU 27 -2.884 -2.679 5.848 221 HB2 GLU 27 2HB GLU 27 -4.597 -4.174 6.508 222 HB3 GLU 27 1HB GLU 27 -4.367 -3.817 8.213 223 HG2 GLU 27 2HG GLU 27 -5.058 -1.408 6.853 224 HG3 GLU 27 1HG GLU 27 -6.200 -2.670 6.401 225 H LYS 28 H LYS 28 -1.889 -2.469 9.167 226 HA LYS 28 HA LYS 28 -2.684 0.296 9.457 227 HB2 LYS 28 2HB LYS 28 -0.871 -1.254 11.295 228 HB3 LYS 28 1HB LYS 28 -1.860 0.151 11.679 229 HG2 LYS 28 2HG LYS 28 -3.683 -1.727 10.774 230 HG3 LYS 28 1HG LYS 28 -2.534 -2.663 11.728 231 HD2 LYS 28 2HD LYS 28 -3.436 -0.104 12.898 232 HD3 LYS 28 1HD LYS 28 -4.650 -1.381 12.781 233 HE2 LYS 28 2HE LYS 28 -1.983 -2.124 13.841 234 HE3 LYS 28 1HE LYS 28 -3.014 -1.133 14.871 235 HZ1 LYS 28 3HZ LYS 28 -3.133 -3.760 14.868 236 HZ2 LYS 28 1HZ LYS 28 -4.239 -3.464 13.618 237 HZ3 LYS 28 2HZ LYS 28 -4.495 -2.803 15.157 238 H TYR 29 H TYR 29 0.390 -1.497 9.308 239 HA TYR 29 HA TYR 29 2.125 0.669 9.431 240 HB2 TYR 29 2HB TYR 29 2.564 -1.925 9.373 241 HB3 TYR 29 1HB TYR 29 2.756 -1.649 7.640 242 HD1 TYR 29 2HD TYR 29 4.157 -0.991 10.968 243 HD2 TYR 29 1HD TYR 29 4.650 -0.411 6.782 244 HE1 TYR 29 2HE TYR 29 6.479 -0.277 11.347 245 HE2 TYR 29 1HE TYR 29 6.974 0.303 7.149 246 HH TYR 29 HH TYR 29 8.727 0.102 8.784 247 H PHE 30 H PHE 30 0.726 -0.899 6.563 248 HA PHE 30 HA PHE 30 1.914 0.858 4.688 249 HB2 PHE 30 2HB PHE 30 -0.152 -1.256 4.648 250 HB3 PHE 30 1HB PHE 30 -0.292 -0.042 3.379 251 HD1 PHE 30 1HD PHE 30 3.038 -0.759 4.622 252 HD2 PHE 30 2HD PHE 30 0.091 -1.865 1.758 253 HE1 PHE 30 1HE PHE 30 4.756 -1.934 3.312 254 HE2 PHE 30 2HE PHE 30 1.805 -3.049 0.447 255 HZ PHE 30 HZ PHE 30 4.141 -3.081 1.222 256 H LYS 31 H LYS 31 -1.276 0.795 6.237 257 HA LYS 31 HA LYS 31 -2.354 3.010 4.880 258 HB2 LYS 31 2HB LYS 31 -3.744 1.440 6.139 259 HB3 LYS 31 1HB LYS 31 -2.987 1.950 7.641 260 HG2 LYS 31 2HG LYS 31 -3.855 4.313 6.915 261 HG3 LYS 31 1HG LYS 31 -4.982 3.363 5.945 262 HD2 LYS 31 2HD LYS 31 -6.125 2.639 7.751 263 HD3 LYS 31 1HD LYS 31 -4.668 2.479 8.735 264 HE2 LYS 31 2HE LYS 31 -5.390 4.294 9.818 265 HE3 LYS 31 1HE LYS 31 -4.885 5.198 8.391 266 HZ1 LYS 31 3HZ LYS 31 -7.051 5.864 8.639 267 HZ2 LYS 31 1HZ LYS 31 -7.584 4.353 9.183 268 HZ3 LYS 31 2HZ LYS 31 -7.241 4.587 7.552 269 H LEU 32 H LEU 32 -0.294 2.729 7.694 270 HA LEU 32 HA LEU 32 -0.574 5.352 8.680 271 HB2 LEU 32 2HB LEU 32 0.472 3.444 9.900 272 HB3 LEU 32 1HB LEU 32 1.864 3.579 8.837 273 HG LEU 32 HG LEU 32 1.813 6.093 9.741 274 HD11 LEU 32 1HD1 LEU 32 0.147 6.235 11.262 275 HD12 LEU 32 2HD1 LEU 32 1.399 5.597 12.325 276 HD13 LEU 32 3HD1 LEU 32 0.192 4.512 11.633 277 HD21 LEU 32 3HD2 LEU 32 3.612 5.518 11.132 278 HD22 LEU 32 1HD2 LEU 32 3.616 4.302 9.862 279 HD23 LEU 32 2HD2 LEU 32 2.963 3.910 11.452 280 H ILE 33 H ILE 33 2.143 3.990 6.801 281 HA ILE 33 HA ILE 33 3.371 6.433 6.239 282 HB ILE 33 HB ILE 33 3.519 3.708 5.044 283 HG12 ILE 33 2HG1 ILE 33 4.839 4.370 7.028 284 HG13 ILE 33 1HG1 ILE 33 5.862 3.926 5.665 285 HG21 ILE 33 1HG2 ILE 33 3.619 4.807 2.996 286 HG22 ILE 33 2HG2 ILE 33 5.314 4.678 3.465 287 HG23 ILE 33 3HG2 ILE 33 4.455 6.203 3.675 288 HD11 ILE 33 3HD1 ILE 33 5.827 6.339 7.164 289 HD12 ILE 33 1HD1 ILE 33 5.408 6.703 5.489 290 HD13 ILE 33 2HD1 ILE 33 6.911 5.858 5.859 291 H ALA 34 H ALA 34 0.877 4.661 4.447 292 HA ALA 34 HA ALA 34 0.839 6.260 2.150 293 HB1 ALA 34 1HB ALA 34 -1.300 4.604 3.465 294 HB2 ALA 34 2HB ALA 34 -0.292 4.182 2.081 295 HB3 ALA 34 3HB ALA 34 -1.533 5.426 1.922 296 H ASN 35 H ASN 35 -0.571 6.716 5.316 297 HA ASN 35 HA ASN 35 -2.209 8.945 4.486 298 HB2 ASN 35 2HB ASN 35 -2.434 7.194 6.532 299 HB3 ASN 35 1HB ASN 35 -1.654 8.535 7.365 300 HD21 ASN 35 1HD2 ASN 35 -4.551 7.282 6.187 301 HD22 ASN 35 2HD2 ASN 35 -5.548 8.667 6.456 302 H ALA 36 H ALA 36 0.913 8.434 5.984 303 HA ALA 36 HA ALA 36 1.254 11.234 6.635 304 HB1 ALA 36 1HB ALA 36 2.228 9.077 7.819 305 HB2 ALA 36 2HB ALA 36 3.096 10.613 7.825 306 HB3 ALA 36 3HB ALA 36 3.547 9.349 6.680 307 H LYS 37 H LYS 37 2.097 9.047 4.063 308 HA LYS 37 HA LYS 37 4.139 10.667 2.906 309 HB2 LYS 37 2HB LYS 37 2.621 8.236 2.106 310 HB3 LYS 37 1HB LYS 37 3.386 9.167 0.827 311 HG2 LYS 37 2HG LYS 37 4.937 8.332 3.244 312 HG3 LYS 37 1HG LYS 37 4.684 7.223 1.894 313 HD2 LYS 37 2HD LYS 37 5.658 8.916 0.374 314 HD3 LYS 37 1HD LYS 37 5.989 9.941 1.773 315 HE2 LYS 37 2HE LYS 37 7.731 8.668 2.462 316 HE3 LYS 37 1HE LYS 37 6.985 7.165 1.921 317 HZ1 LYS 37 3HZ LYS 37 7.469 8.108 -0.417 318 HZ2 LYS 37 1HZ LYS 37 8.734 7.413 0.467 319 HZ3 LYS 37 2HZ LYS 37 8.587 9.095 0.381 320 H THR 38 H THR 38 1.057 9.768 1.375 321 HA THR 38 HA THR 38 0.518 12.566 0.773 322 HB THR 38 HB THR 38 0.190 10.760 -1.543 323 HG1 THR 38 1HG THR 38 2.738 11.569 -0.609 324 HG21 THR 38 3HG2 THR 38 0.180 13.491 -1.151 325 HG22 THR 38 1HG2 THR 38 0.203 12.640 -2.697 326 HG23 THR 38 2HG2 THR 38 1.715 13.170 -1.959 327 H VAL 39 H VAL 39 -1.621 13.045 0.686 328 HA VAL 39 HA VAL 39 -3.619 11.039 0.181 329 HB VAL 39 HB VAL 39 -4.775 11.487 2.416 330 HG11 VAL 39 1HG1 VAL 39 -3.483 9.395 1.624 331 HG12 VAL 39 2HG1 VAL 39 -3.871 9.560 3.337 332 HG13 VAL 39 3HG1 VAL 39 -2.245 9.926 2.761 333 HG21 VAL 39 3HG2 VAL 39 -3.095 11.887 4.283 334 HG22 VAL 39 1HG2 VAL 39 -3.548 13.285 3.311 335 HG23 VAL 39 2HG2 VAL 39 -2.005 12.480 3.030 336 H GLU 40 H GLU 40 -5.207 12.033 -0.863 337 HA GLU 40 HA GLU 40 -6.310 14.521 0.004 338 HB2 GLU 40 2HB GLU 40 -5.863 15.665 -2.232 339 HB3 GLU 40 1HB GLU 40 -4.521 15.574 -1.095 340 HG2 GLU 40 2HG GLU 40 -4.897 13.581 -3.305 341 HG3 GLU 40 1HG GLU 40 -4.007 15.084 -3.522 342 H GLY 41 H GLY 41 -6.016 12.174 -2.631 343 HA2 GLY 41 2HA GLY 41 -8.673 12.785 -3.587 344 HA3 GLY 41 1HA GLY 41 -7.584 11.570 -4.241 345 H VAL 42 H VAL 42 -8.821 9.796 -4.276 346 HA VAL 42 HA VAL 42 -10.333 9.070 -1.868 347 HB VAL 42 HB VAL 42 -11.599 9.076 -3.964 348 HG11 VAL 42 1HG1 VAL 42 -9.321 7.461 -4.883 349 HG12 VAL 42 2HG1 VAL 42 -10.364 8.558 -5.775 350 HG13 VAL 42 3HG1 VAL 42 -10.909 6.925 -5.427 351 HG21 VAL 42 3HG2 VAL 42 -11.225 6.234 -3.067 352 HG22 VAL 42 1HG2 VAL 42 -12.690 6.995 -3.690 353 HG23 VAL 42 2HG2 VAL 42 -12.068 7.446 -2.102 354 H TRP 43 H TRP 43 -10.076 7.097 -0.848 355 HA TRP 43 HA TRP 43 -7.493 5.811 -1.320 356 HB2 TRP 43 2HB TRP 43 -9.318 6.090 1.014 357 HB3 TRP 43 1HB TRP 43 -8.332 4.628 0.926 358 HD1 TRP 43 HD TRP 43 -7.595 8.423 0.428 359 HE1 TRP 43 1HE TRP 43 -5.417 8.965 1.689 360 HE3 TRP 43 3HE TRP 43 -6.545 3.772 2.278 361 HZ2 TRP 43 2HZ TRP 43 -3.507 7.601 3.259 362 HZ3 TRP 43 3HZ TRP 43 -4.523 3.476 3.649 363 HH2 TRP 43 HH TRP 43 -3.036 5.352 4.127 364 H THR 44 H THR 44 -7.511 4.129 -2.652 365 HA THR 44 HA THR 44 -9.886 2.409 -2.753 366 HB THR 44 HB THR 44 -7.582 2.190 -4.659 367 HG1 THR 44 1HG THR 44 -8.122 4.394 -4.615 368 HG21 THR 44 3HG2 THR 44 -9.832 2.032 -6.133 369 HG22 THR 44 1HG2 THR 44 -10.392 1.359 -4.602 370 HG23 THR 44 2HG2 THR 44 -9.006 0.644 -5.424 371 H TYR 45 H TYR 45 -9.653 0.113 -2.748 372 HA TYR 45 HA TYR 45 -7.120 -0.945 -1.742 373 HB2 TYR 45 2HB TYR 45 -8.401 -0.427 0.270 374 HB3 TYR 45 1HB TYR 45 -9.786 -1.327 -0.355 375 HD1 TYR 45 1HD TYR 45 -6.243 -1.722 0.710 376 HD2 TYR 45 2HD TYR 45 -9.998 -3.619 0.074 377 HE1 TYR 45 1HE TYR 45 -5.384 -3.766 1.775 378 HE2 TYR 45 2HE TYR 45 -9.149 -5.669 1.137 379 HH TYR 45 HH TYR 45 -6.477 -6.614 1.437 380 H LYS 46 H LYS 46 -6.927 -3.250 -1.947 381 HA LYS 46 HA LYS 46 -8.932 -4.505 -3.690 382 HB2 LYS 46 2HB LYS 46 -6.531 -3.614 -4.648 383 HB3 LYS 46 1HB LYS 46 -6.147 -5.285 -4.234 384 HG2 LYS 46 2HG LYS 46 -6.849 -5.587 -6.367 385 HG3 LYS 46 1HG LYS 46 -8.403 -5.737 -5.543 386 HD2 LYS 46 2HD LYS 46 -8.777 -3.306 -5.958 387 HD3 LYS 46 1HD LYS 46 -7.298 -3.292 -6.922 388 HE2 LYS 46 2HE LYS 46 -8.686 -3.730 -8.634 389 HE3 LYS 46 1HE LYS 46 -8.613 -5.385 -8.030 390 HZ1 LYS 46 3HZ LYS 46 -10.791 -3.469 -7.932 391 HZ2 LYS 46 1HZ LYS 46 -10.570 -4.393 -6.531 392 HZ3 LYS 46 2HZ LYS 46 -10.830 -5.155 -8.017 393 H ASP 47 H ASP 47 -9.690 -6.220 -2.663 394 HA ASP 47 HA ASP 47 -8.153 -7.532 -0.597 395 HB2 ASP 47 2HB ASP 47 -10.646 -7.037 -0.480 396 HB3 ASP 47 1HB ASP 47 -10.860 -8.369 -1.619 397 H GLU 48 H GLU 48 -9.121 -8.132 -3.893 398 HA GLU 48 HA GLU 48 -8.708 -10.892 -4.027 399 HB2 GLU 48 2HB GLU 48 -9.741 -9.395 -5.795 400 HB3 GLU 48 1HB GLU 48 -8.104 -8.942 -6.247 401 HG2 GLU 48 2HG GLU 48 -8.177 -11.755 -6.176 402 HG3 GLU 48 1HG GLU 48 -9.620 -11.223 -7.026 403 H ILE 49 H ILE 49 -6.447 -8.209 -4.335 404 HA ILE 49 HA ILE 49 -4.240 -10.152 -4.479 405 HB ILE 49 HB ILE 49 -4.332 -8.617 -6.379 406 HG12 ILE 49 2HG1 ILE 49 -2.140 -9.418 -5.248 407 HG13 ILE 49 1HG1 ILE 49 -2.049 -8.141 -6.454 408 HG21 ILE 49 1HG2 ILE 49 -4.646 -6.625 -4.256 409 HG22 ILE 49 2HG2 ILE 49 -5.200 -6.605 -5.930 410 HG23 ILE 49 3HG2 ILE 49 -3.536 -6.161 -5.545 411 HD11 ILE 49 3HD1 ILE 49 -1.038 -8.116 -3.850 412 HD12 ILE 49 1HD1 ILE 49 -2.404 -7.002 -3.845 413 HD13 ILE 49 2HD1 ILE 49 -1.090 -6.780 -4.999 414 H LYS 50 H LYS 50 -5.664 -7.620 -2.606 415 HA LYS 50 HA LYS 50 -5.266 -6.957 -0.459 416 HB2 LYS 50 2HB LYS 50 -3.952 -9.427 -0.587 417 HB3 LYS 50 1HB LYS 50 -2.768 -8.319 0.091 418 HG2 LYS 50 2HG LYS 50 -3.947 -9.305 1.897 419 HG3 LYS 50 1HG LYS 50 -4.489 -7.631 1.765 420 HD2 LYS 50 2HD LYS 50 -6.440 -8.922 2.101 421 HD3 LYS 50 1HD LYS 50 -6.423 -8.507 0.386 422 HE2 LYS 50 2HE LYS 50 -7.014 -10.801 0.535 423 HE3 LYS 50 1HE LYS 50 -5.348 -10.736 -0.038 424 HZ1 LYS 50 3HZ LYS 50 -6.409 -11.752 2.467 425 HZ2 LYS 50 1HZ LYS 50 -4.963 -10.884 2.589 426 HZ3 LYS 50 2HZ LYS 50 -5.051 -12.244 1.588 427 H THR 51 H THR 51 -4.756 -5.015 -1.825 428 HA THR 51 HA THR 51 -2.127 -4.021 -1.054 429 HB THR 51 HB THR 51 -1.719 -4.846 -3.292 430 HG1 THR 51 1HG THR 51 -2.068 -2.036 -3.407 431 HG21 THR 51 3HG2 THR 51 -2.929 -4.296 -5.201 432 HG22 THR 51 1HG2 THR 51 -3.802 -3.000 -4.387 433 HG23 THR 51 2HG2 THR 51 -4.164 -4.682 -4.003 434 H PHE 52 H PHE 52 -2.205 -1.985 -0.354 435 HA PHE 52 HA PHE 52 -4.734 -0.543 -0.558 436 HB2 PHE 52 2HB PHE 52 -2.572 -0.690 1.370 437 HB3 PHE 52 1HB PHE 52 -2.929 0.982 0.953 438 HD1 PHE 52 2HD PHE 52 -5.768 1.058 0.586 439 HD2 PHE 52 1HD PHE 52 -3.493 -1.154 3.426 440 HE1 PHE 52 2HE PHE 52 -7.702 1.025 2.105 441 HE2 PHE 52 1HE PHE 52 -5.425 -1.192 4.946 442 HZ PHE 52 HZ PHE 52 -7.532 -0.101 4.289 443 H THR 53 H THR 53 -4.943 1.474 -1.539 444 HA THR 53 HA THR 53 -2.566 2.659 -2.746 445 HB THR 53 HB THR 53 -3.851 2.880 -4.934 446 HG1 THR 53 1HG THR 53 -5.668 1.847 -5.158 447 HG21 THR 53 3HG2 THR 53 -3.148 0.799 -5.800 448 HG22 THR 53 1HG2 THR 53 -3.209 0.039 -4.210 449 HG23 THR 53 2HG2 THR 53 -1.979 1.255 -4.560 450 H VAL 54 H VAL 54 -2.645 4.831 -2.970 451 HA VAL 54 HA VAL 54 -5.169 6.160 -2.228 452 HB VAL 54 HB VAL 54 -2.386 7.149 -1.593 453 HG11 VAL 54 1HG1 VAL 54 -5.043 8.118 -0.553 454 HG12 VAL 54 2HG1 VAL 54 -4.182 8.861 -1.900 455 HG13 VAL 54 3HG1 VAL 54 -3.456 8.843 -0.293 456 HG21 VAL 54 3HG2 VAL 54 -2.891 6.566 0.736 457 HG22 VAL 54 1HG2 VAL 54 -2.876 5.142 -0.305 458 HG23 VAL 54 2HG2 VAL 54 -4.411 5.835 0.218 459 H THR 55 H THR 55 -5.903 6.804 -4.183 460 HA THR 55 HA THR 55 -4.075 8.136 -6.036 461 HB THR 55 HB THR 55 -6.984 7.483 -6.502 462 HG1 THR 55 1HG THR 55 -6.451 5.484 -6.748 463 HG21 THR 55 3HG2 THR 55 -6.656 8.412 -8.470 464 HG22 THR 55 1HG2 THR 55 -5.461 7.175 -8.827 465 HG23 THR 55 2HG2 THR 55 -4.955 8.698 -8.104 466 H GLU 56 H GLU 56 -4.500 10.210 -6.879 467 HA GLU 56 HA GLU 56 -5.790 11.972 -4.976 468 HB2 GLU 56 2HB GLU 56 -3.566 12.497 -5.986 469 HB3 GLU 56 1HB GLU 56 -4.356 12.672 -7.545 470 HG2 GLU 56 2HG GLU 56 -5.570 14.272 -5.429 471 HG3 GLU 56 1HG GLU 56 -3.886 14.683 -5.756 Start of MODEL 13 1 H1 THR 1 1HT THR 1 0.267 -12.427 4.683 2 H2 THR 1 2HT THR 1 1.707 -13.118 4.055 3 H3 THR 1 3HT THR 1 0.301 -14.084 4.245 4 HA THR 1 HA THR 1 0.431 -13.621 2.007 5 HB THR 1 HB THR 1 -1.783 -13.353 3.060 6 HG1 THR 1 1HG THR 1 -1.476 -12.955 0.782 7 HG21 THR 1 3HG2 THR 1 -0.741 -10.867 3.953 8 HG22 THR 1 1HG2 THR 1 -2.290 -11.622 4.327 9 HG23 THR 1 2HG2 THR 1 -2.142 -10.562 2.927 10 H THR 2 H THR 2 0.908 -12.270 0.267 11 HA THR 2 HA THR 2 2.802 -10.193 0.823 12 HB THR 2 HB THR 2 1.580 -10.988 -1.827 13 HG1 THR 2 1HG THR 2 3.440 -12.299 -2.014 14 HG21 THR 2 3HG2 THR 2 3.998 -10.273 -2.527 15 HG22 THR 2 1HG2 THR 2 3.887 -9.272 -1.080 16 HG23 THR 2 2HG2 THR 2 2.706 -9.083 -2.375 17 H TYR 3 H TYR 3 2.335 -8.137 1.227 18 HA TYR 3 HA TYR 3 -0.240 -7.074 0.271 19 HB2 TYR 3 2HB TYR 3 0.983 -7.009 2.832 20 HB3 TYR 3 1HB TYR 3 0.973 -5.358 2.220 21 HD1 TYR 3 1HD TYR 3 -1.264 -4.437 1.356 22 HD2 TYR 3 2HD TYR 3 -0.956 -7.934 3.768 23 HE1 TYR 3 1HE TYR 3 -3.633 -4.215 1.971 24 HE2 TYR 3 2HE TYR 3 -3.325 -7.720 4.381 25 HH TYR 3 HH TYR 3 -5.017 -5.454 4.438 26 H LYS 4 H LYS 4 -0.175 -5.663 -1.338 27 HA LYS 4 HA LYS 4 2.356 -4.283 -1.905 28 HB2 LYS 4 2HB LYS 4 1.326 -5.739 -3.674 29 HB3 LYS 4 1HB LYS 4 -0.025 -4.615 -3.733 30 HG2 LYS 4 2HG LYS 4 1.408 -2.844 -4.488 31 HG3 LYS 4 1HG LYS 4 2.837 -3.857 -4.272 32 HD2 LYS 4 2HD LYS 4 2.484 -4.080 -6.533 33 HD3 LYS 4 1HD LYS 4 1.570 -5.458 -5.916 34 HE2 LYS 4 2HE LYS 4 -0.438 -4.535 -6.438 35 HE3 LYS 4 1HE LYS 4 0.122 -2.888 -6.148 36 HZ1 LYS 4 3HZ LYS 4 1.277 -2.920 -8.247 37 HZ2 LYS 4 1HZ LYS 4 -0.348 -3.323 -8.498 38 HZ3 LYS 4 2HZ LYS 4 0.836 -4.530 -8.517 39 H LEU 5 H LEU 5 2.248 -2.056 -2.691 40 HA LEU 5 HA LEU 5 -0.116 -0.566 -1.809 41 HB2 LEU 5 2HB LEU 5 2.278 -0.666 -0.350 42 HB3 LEU 5 1HB LEU 5 2.296 0.884 -1.173 43 HG LEU 5 HG LEU 5 0.085 -0.101 0.632 44 HD11 LEU 5 1HD1 LEU 5 2.397 0.549 1.609 45 HD12 LEU 5 2HD1 LEU 5 0.934 1.230 2.321 46 HD13 LEU 5 3HD1 LEU 5 1.908 2.196 1.212 47 HD21 LEU 5 3HD2 LEU 5 -1.154 1.639 -0.015 48 HD22 LEU 5 1HD2 LEU 5 -0.069 1.755 -1.400 49 HD23 LEU 5 2HD2 LEU 5 0.222 2.742 0.032 50 H ILE 6 H ILE 6 -0.675 1.042 -3.142 51 HA ILE 6 HA ILE 6 1.324 2.170 -4.935 52 HB ILE 6 HB ILE 6 -1.285 1.681 -6.230 53 HG12 ILE 6 2HG1 ILE 6 0.726 -0.561 -5.926 54 HG13 ILE 6 1HG1 ILE 6 -0.820 -0.489 -5.086 55 HG21 ILE 6 1HG2 ILE 6 1.300 1.023 -7.500 56 HG22 ILE 6 2HG2 ILE 6 1.030 2.711 -7.064 57 HG23 ILE 6 3HG2 ILE 6 -0.096 1.887 -8.143 58 HD11 ILE 6 3HD1 ILE 6 -1.526 -1.730 -6.807 59 HD12 ILE 6 1HD1 ILE 6 -0.208 -1.212 -7.857 60 HD13 ILE 6 2HD1 ILE 6 -1.624 -0.181 -7.646 61 H LEU 7 H LEU 7 1.292 4.250 -4.304 62 HA LEU 7 HA LEU 7 -1.324 5.505 -3.852 63 HB2 LEU 7 2HB LEU 7 1.344 6.579 -2.974 64 HB3 LEU 7 1HB LEU 7 -0.251 7.113 -2.458 65 HG LEU 7 HG LEU 7 -0.524 4.755 -1.475 66 HD11 LEU 7 1HD1 LEU 7 2.355 4.761 -2.238 67 HD12 LEU 7 2HD1 LEU 7 1.173 3.455 -2.301 68 HD13 LEU 7 3HD1 LEU 7 1.860 3.949 -0.754 69 HD21 LEU 7 3HD2 LEU 7 1.291 6.891 -0.419 70 HD22 LEU 7 1HD2 LEU 7 0.968 5.429 0.515 71 HD23 LEU 7 2HD2 LEU 7 -0.361 6.494 0.059 72 H ASN 8 H ASN 8 -2.068 6.986 -5.202 73 HA ASN 8 HA ASN 8 -0.159 8.218 -7.082 74 HB2 ASN 8 2HB ASN 8 -1.958 6.576 -7.968 75 HB3 ASN 8 1HB ASN 8 -3.090 7.896 -7.671 76 HD21 ASN 8 1HD2 ASN 8 -3.547 8.892 -9.483 77 HD22 ASN 8 2HD2 ASN 8 -2.434 9.284 -10.743 78 H LEU 9 H LEU 9 -0.177 10.389 -7.328 79 HA LEU 9 HA LEU 9 -2.320 11.941 -6.079 80 HB2 LEU 9 2HB LEU 9 -0.385 13.495 -5.250 81 HB3 LEU 9 1HB LEU 9 -0.891 12.110 -4.294 82 HG LEU 9 HG LEU 9 1.407 11.913 -6.220 83 HD11 LEU 9 1HD1 LEU 9 2.054 12.323 -3.389 84 HD12 LEU 9 2HD1 LEU 9 1.435 13.746 -4.222 85 HD13 LEU 9 3HD1 LEU 9 2.863 12.912 -4.838 86 HD21 LEU 9 3HD2 LEU 9 1.014 9.788 -5.558 87 HD22 LEU 9 1HD2 LEU 9 0.217 10.282 -4.064 88 HD23 LEU 9 2HD2 LEU 9 1.978 10.296 -4.170 89 H LYS 10 H LYS 10 0.640 12.018 -8.028 90 HA LYS 10 HA LYS 10 -0.667 13.815 -9.899 91 HB2 LYS 10 2HB LYS 10 1.623 14.562 -8.173 92 HB3 LYS 10 1HB LYS 10 1.741 15.029 -9.863 93 HG2 LYS 10 2HG LYS 10 -0.756 15.866 -9.333 94 HG3 LYS 10 1HG LYS 10 -0.026 16.039 -7.736 95 HD2 LYS 10 2HD LYS 10 1.772 17.388 -8.713 96 HD3 LYS 10 1HD LYS 10 1.032 17.213 -10.304 97 HE2 LYS 10 2HE LYS 10 -1.062 18.225 -9.195 98 HE3 LYS 10 1HE LYS 10 0.038 18.731 -7.913 99 HZ1 LYS 10 3HZ LYS 10 0.993 20.279 -9.218 100 HZ2 LYS 10 1HZ LYS 10 -0.476 20.203 -10.050 101 HZ3 LYS 10 2HZ LYS 10 0.865 19.357 -10.629 102 H GLN 11 H GLN 11 -0.555 11.626 -10.929 103 HA GLN 11 HA GLN 11 0.247 10.361 -12.648 104 HB2 GLN 11 2HB GLN 11 1.299 12.770 -13.205 105 HB3 GLN 11 1HB GLN 11 2.787 11.872 -12.918 106 HG2 GLN 11 2HG GLN 11 2.331 10.364 -14.669 107 HG3 GLN 11 1HG GLN 11 0.660 10.914 -14.806 108 HE21 GLN 11 1HE2 GLN 11 0.457 11.831 -16.717 109 HE22 GLN 11 2HE2 GLN 11 1.517 13.018 -17.390 110 H ALA 12 H ALA 12 3.144 11.470 -10.875 111 HA ALA 12 HA ALA 12 4.391 8.928 -10.948 112 HB1 ALA 12 1HB ALA 12 5.273 11.420 -10.447 113 HB2 ALA 12 2HB ALA 12 6.168 9.965 -10.019 114 HB3 ALA 12 3HB ALA 12 5.189 10.788 -8.805 115 H LYS 13 H LYS 13 3.163 7.311 -10.080 116 HA LYS 13 HA LYS 13 1.949 7.600 -7.472 117 HB2 LYS 13 2HB LYS 13 1.334 5.167 -7.850 118 HB3 LYS 13 1HB LYS 13 0.677 6.317 -9.005 119 HG2 LYS 13 2HG LYS 13 2.218 5.665 -10.675 120 HG3 LYS 13 1HG LYS 13 3.190 4.753 -9.519 121 HD2 LYS 13 2HD LYS 13 1.185 3.272 -9.168 122 HD3 LYS 13 1HD LYS 13 0.428 4.097 -10.531 123 HE2 LYS 13 2HE LYS 13 2.934 2.428 -10.537 124 HE3 LYS 13 1HE LYS 13 1.415 2.100 -11.370 125 HZ1 LYS 13 3HZ LYS 13 1.962 4.393 -12.481 126 HZ2 LYS 13 1HZ LYS 13 2.644 2.960 -13.065 127 HZ3 LYS 13 2HZ LYS 13 3.550 3.980 -12.067 128 H GLU 14 H GLU 14 2.345 5.928 -5.763 129 HA GLU 14 HA GLU 14 5.241 5.458 -5.553 130 HB2 GLU 14 2HB GLU 14 3.074 6.005 -3.594 131 HB3 GLU 14 1HB GLU 14 4.386 4.951 -3.067 132 HG2 GLU 14 2HG GLU 14 4.960 7.599 -4.335 133 HG3 GLU 14 1HG GLU 14 4.552 7.480 -2.623 134 H GLU 15 H GLU 15 5.953 3.455 -4.497 135 HA GLU 15 HA GLU 15 4.085 1.215 -4.761 136 HB2 GLU 15 2HB GLU 15 6.565 1.658 -6.329 137 HB3 GLU 15 1HB GLU 15 6.285 0.025 -5.740 138 HG2 GLU 15 2HG GLU 15 3.900 0.411 -6.767 139 HG3 GLU 15 1HG GLU 15 4.755 1.616 -7.730 140 H ALA 16 H ALA 16 4.594 -0.611 -3.507 141 HA ALA 16 HA ALA 16 6.959 -0.833 -1.957 142 HB1 ALA 16 1HB ALA 16 4.724 -0.345 -0.097 143 HB2 ALA 16 2HB ALA 16 5.368 1.075 -0.921 144 HB3 ALA 16 3HB ALA 16 6.435 0.060 0.049 145 H ILE 17 H ILE 17 7.193 -2.891 -1.307 146 HA ILE 17 HA ILE 17 4.805 -4.617 -1.373 147 HB ILE 17 HB ILE 17 6.524 -6.482 -1.758 148 HG12 ILE 17 2HG1 ILE 17 8.262 -4.508 -3.100 149 HG13 ILE 17 1HG1 ILE 17 8.354 -4.515 -1.343 150 HG21 ILE 17 1HG2 ILE 17 4.960 -5.083 -3.435 151 HG22 ILE 17 2HG2 ILE 17 5.983 -6.427 -3.944 152 HG23 ILE 17 3HG2 ILE 17 6.540 -4.767 -4.152 153 HD11 ILE 17 3HD1 ILE 17 8.739 -7.000 -1.498 154 HD12 ILE 17 1HD1 ILE 17 10.035 -5.971 -2.105 155 HD13 ILE 17 2HD1 ILE 17 8.939 -6.767 -3.234 156 H LYS 18 H LYS 18 4.235 -5.571 0.462 157 HA LYS 18 HA LYS 18 6.258 -6.187 2.474 158 HB2 LYS 18 2HB LYS 18 4.760 -3.928 2.741 159 HB3 LYS 18 1HB LYS 18 3.765 -5.096 3.600 160 HG2 LYS 18 2HG LYS 18 5.119 -4.227 5.259 161 HG3 LYS 18 1HG LYS 18 5.947 -5.722 4.816 162 HD2 LYS 18 2HD LYS 18 7.770 -4.439 4.591 163 HD3 LYS 18 1HD LYS 18 7.037 -3.908 3.075 164 HE2 LYS 18 2HE LYS 18 5.800 -2.227 4.724 165 HE3 LYS 18 1HE LYS 18 7.251 -2.509 5.687 166 HZ1 LYS 18 3HZ LYS 18 7.075 -0.661 3.777 167 HZ2 LYS 18 1HZ LYS 18 7.703 -1.949 2.876 168 HZ3 LYS 18 2HZ LYS 18 8.530 -1.387 4.240 169 H GLU 19 H GLU 19 6.059 -8.292 2.781 170 HA GLU 19 HA GLU 19 3.387 -9.503 2.735 171 HB2 GLU 19 2HB GLU 19 5.998 -11.000 2.580 172 HB3 GLU 19 1HB GLU 19 4.394 -11.563 2.132 173 HG2 GLU 19 2HG GLU 19 4.601 -10.798 0.062 174 HG3 GLU 19 1HG GLU 19 5.170 -9.225 0.616 175 H LEU 20 H LEU 20 2.618 -9.505 4.734 176 HA LEU 20 HA LEU 20 4.384 -10.353 6.930 177 HB2 LEU 20 2HB LEU 20 2.208 -8.367 6.729 178 HB3 LEU 20 1HB LEU 20 2.217 -9.326 8.197 179 HG LEU 20 HG LEU 20 4.786 -8.608 8.197 180 HD11 LEU 20 1HD1 LEU 20 3.410 -6.696 6.391 181 HD12 LEU 20 2HD1 LEU 20 5.074 -7.276 6.372 182 HD13 LEU 20 3HD1 LEU 20 4.580 -6.055 7.544 183 HD21 LEU 20 3HD2 LEU 20 2.714 -6.628 9.088 184 HD22 LEU 20 1HD2 LEU 20 4.246 -7.045 9.855 185 HD23 LEU 20 2HD2 LEU 20 2.907 -8.192 9.879 186 H VAL 21 H VAL 21 2.713 -11.133 8.836 187 HA VAL 21 HA VAL 21 1.433 -13.501 7.674 188 HB VAL 21 HB VAL 21 1.511 -14.428 9.969 189 HG11 VAL 21 1HG1 VAL 21 4.305 -13.590 9.520 190 HG12 VAL 21 2HG1 VAL 21 3.485 -14.342 8.151 191 HG13 VAL 21 3HG1 VAL 21 3.614 -15.204 9.684 192 HG21 VAL 21 3HG2 VAL 21 2.179 -13.276 11.789 193 HG22 VAL 21 1HG2 VAL 21 1.712 -11.877 10.823 194 HG23 VAL 21 2HG2 VAL 21 3.403 -12.372 10.899 195 H ASP 22 H ASP 22 0.271 -10.694 7.960 196 HA ASP 22 HA ASP 22 -2.361 -11.458 8.552 197 HB2 ASP 22 2HB ASP 22 -1.365 -11.393 10.883 198 HB3 ASP 22 1HB ASP 22 -1.164 -9.657 10.661 199 H ALA 23 H ALA 23 -3.790 -9.994 7.824 200 HA ALA 23 HA ALA 23 -2.799 -7.846 6.231 201 HB1 ALA 23 1HB ALA 23 -5.634 -8.624 6.895 202 HB2 ALA 23 2HB ALA 23 -4.698 -9.170 5.503 203 HB3 ALA 23 3HB ALA 23 -5.149 -7.472 5.650 204 H GLY 24 H GLY 24 -3.228 -7.953 9.485 205 HA2 GLY 24 2HA GLY 24 -4.440 -5.332 9.801 206 HA3 GLY 24 1HA GLY 24 -3.907 -6.397 11.092 207 H THR 25 H THR 25 -1.413 -6.797 10.957 208 HA THR 25 HA THR 25 -0.146 -4.379 11.576 209 HB THR 25 HB THR 25 1.987 -5.773 11.354 210 HG1 THR 25 1HG THR 25 0.935 -7.263 9.836 211 HG21 THR 25 3HG2 THR 25 -0.162 -6.976 13.073 212 HG22 THR 25 1HG2 THR 25 0.774 -5.540 13.487 213 HG23 THR 25 2HG2 THR 25 1.583 -7.097 13.305 214 H ALA 26 H ALA 26 -0.390 -6.181 8.575 215 HA ALA 26 HA ALA 26 1.583 -4.646 7.188 216 HB1 ALA 26 1HB ALA 26 1.412 -6.632 6.123 217 HB2 ALA 26 2HB ALA 26 0.185 -5.771 5.195 218 HB3 ALA 26 3HB ALA 26 -0.294 -6.826 6.525 219 H GLU 27 H GLU 27 -1.936 -4.530 7.558 220 HA GLU 27 HA GLU 27 -2.212 -2.466 5.553 221 HB2 GLU 27 2HB GLU 27 -4.521 -2.446 6.037 222 HB3 GLU 27 1HB GLU 27 -4.027 -4.123 6.180 223 HG2 GLU 27 2HG GLU 27 -3.984 -3.921 8.599 224 HG3 GLU 27 1HG GLU 27 -4.416 -2.218 8.479 225 H LYS 28 H LYS 28 -1.770 -2.610 9.001 226 HA LYS 28 HA LYS 28 -2.504 0.061 9.595 227 HB2 LYS 28 2HB LYS 28 -1.604 -2.191 11.035 228 HB3 LYS 28 1HB LYS 28 -0.444 -0.913 11.357 229 HG2 LYS 28 2HG LYS 28 -3.305 -0.193 11.524 230 HG3 LYS 28 1HG LYS 28 -2.670 -1.259 12.783 231 HD2 LYS 28 2HD LYS 28 -1.020 1.099 12.118 232 HD3 LYS 28 1HD LYS 28 -2.562 1.427 12.913 233 HE2 LYS 28 2HE LYS 28 -1.985 0.124 14.790 234 HE3 LYS 28 1HE LYS 28 -0.626 -0.622 13.952 235 HZ1 LYS 28 3HZ LYS 28 0.541 1.461 13.997 236 HZ2 LYS 28 1HZ LYS 28 0.049 1.090 15.570 237 HZ3 LYS 28 2HZ LYS 28 -0.786 2.257 14.675 238 H TYR 29 H TYR 29 0.711 -1.446 9.256 239 HA TYR 29 HA TYR 29 2.217 0.893 9.400 240 HB2 TYR 29 2HB TYR 29 3.077 -1.485 9.471 241 HB3 TYR 29 1HB TYR 29 2.924 -1.513 7.711 242 HD1 TYR 29 2HD TYR 29 4.141 0.467 6.467 243 HD2 TYR 29 1HD TYR 29 5.098 -0.854 10.397 244 HE1 TYR 29 2HE TYR 29 6.375 1.471 6.253 245 HE2 TYR 29 1HE TYR 29 7.335 0.148 10.195 246 HH TYR 29 HH TYR 29 8.493 1.830 8.931 247 H PHE 30 H PHE 30 0.830 -0.745 6.576 248 HA PHE 30 HA PHE 30 1.879 0.991 4.625 249 HB2 PHE 30 2HB PHE 30 -0.252 -1.060 4.753 250 HB3 PHE 30 1HB PHE 30 -0.425 0.138 3.474 251 HD1 PHE 30 1HD PHE 30 2.990 -0.505 4.365 252 HD2 PHE 30 2HD PHE 30 -0.261 -1.915 2.010 253 HE1 PHE 30 1HE PHE 30 4.561 -1.767 2.957 254 HE2 PHE 30 2HE PHE 30 1.304 -3.183 0.601 255 HZ PHE 30 HZ PHE 30 3.719 -3.109 1.072 256 H LYS 31 H LYS 31 -1.070 1.096 6.547 257 HA LYS 31 HA LYS 31 -2.232 3.308 5.195 258 HB2 LYS 31 2HB LYS 31 -3.439 1.647 6.667 259 HB3 LYS 31 1HB LYS 31 -2.736 2.472 8.051 260 HG2 LYS 31 2HG LYS 31 -3.883 4.497 6.529 261 HG3 LYS 31 1HG LYS 31 -5.042 3.168 6.467 262 HD2 LYS 31 2HD LYS 31 -4.998 3.029 8.916 263 HD3 LYS 31 1HD LYS 31 -3.853 4.370 8.968 264 HE2 LYS 31 2HE LYS 31 -5.843 5.429 7.453 265 HE3 LYS 31 1HE LYS 31 -6.758 4.374 8.528 266 HZ1 LYS 31 3HZ LYS 31 -4.723 6.045 9.765 267 HZ2 LYS 31 1HZ LYS 31 -6.267 5.628 10.322 268 HZ3 LYS 31 2HZ LYS 31 -6.083 6.847 9.158 269 H LEU 32 H LEU 32 -0.020 2.977 7.893 270 HA LEU 32 HA LEU 32 -0.170 5.593 8.900 271 HB2 LEU 32 2HB LEU 32 0.959 3.575 9.945 272 HB3 LEU 32 1HB LEU 32 2.307 3.879 8.861 273 HG LEU 32 HG LEU 32 1.989 6.331 10.020 274 HD11 LEU 32 1HD1 LEU 32 0.269 5.204 11.535 275 HD12 LEU 32 2HD1 LEU 32 1.547 6.139 12.307 276 HD13 LEU 32 3HD1 LEU 32 1.641 4.378 12.271 277 HD21 LEU 32 3HD2 LEU 32 3.967 5.752 11.339 278 HD22 LEU 32 1HD2 LEU 32 4.091 5.141 9.689 279 HD23 LEU 32 2HD2 LEU 32 3.690 4.041 11.004 280 H ILE 33 H ILE 33 2.348 4.204 6.784 281 HA ILE 33 HA ILE 33 3.661 6.577 6.184 282 HB ILE 33 HB ILE 33 4.560 4.357 5.632 283 HG12 ILE 33 2HG1 ILE 33 5.544 4.944 3.466 284 HG13 ILE 33 1HG1 ILE 33 4.283 6.146 3.206 285 HG21 ILE 33 1HG2 ILE 33 2.635 4.336 3.315 286 HG22 ILE 33 2HG2 ILE 33 2.395 3.424 4.806 287 HG23 ILE 33 3HG2 ILE 33 3.781 3.076 3.772 288 HD11 ILE 33 3HD1 ILE 33 6.745 6.635 4.259 289 HD12 ILE 33 1HD1 ILE 33 5.744 6.499 5.705 290 HD13 ILE 33 2HD1 ILE 33 5.327 7.669 4.452 291 H ALA 34 H ALA 34 0.889 5.078 4.570 292 HA ALA 34 HA ALA 34 0.750 6.908 2.418 293 HB1 ALA 34 1HB ALA 34 -1.135 5.788 1.773 294 HB2 ALA 34 2HB ALA 34 -1.721 5.593 3.425 295 HB3 ALA 34 3HB ALA 34 -0.411 4.574 2.827 296 H ASN 35 H ASN 35 -0.492 6.957 5.688 297 HA ASN 35 HA ASN 35 -2.368 9.044 5.357 298 HB2 ASN 35 2HB ASN 35 -1.503 7.396 7.459 299 HB3 ASN 35 1HB ASN 35 -1.178 9.042 7.994 300 HD21 ASN 35 1HD2 ASN 35 -2.977 10.579 7.820 301 HD22 ASN 35 2HD2 ASN 35 -4.580 10.001 8.107 302 H ALA 36 H ALA 36 1.081 8.995 5.977 303 HA ALA 36 HA ALA 36 1.183 11.867 6.401 304 HB1 ALA 36 1HB ALA 36 3.535 10.014 6.137 305 HB2 ALA 36 2HB ALA 36 2.627 10.191 7.638 306 HB3 ALA 36 3HB ALA 36 3.462 11.581 6.941 307 H LYS 37 H LYS 37 1.811 9.535 3.881 308 HA LYS 37 HA LYS 37 3.312 11.234 2.176 309 HB2 LYS 37 2HB LYS 37 2.137 8.567 2.057 310 HB3 LYS 37 1HB LYS 37 2.045 9.409 0.517 311 HG2 LYS 37 2HG LYS 37 4.625 9.361 2.011 312 HG3 LYS 37 1HG LYS 37 4.114 7.943 1.091 313 HD2 LYS 37 2HD LYS 37 4.199 9.073 -0.938 314 HD3 LYS 37 1HD LYS 37 4.085 10.658 -0.171 315 HE2 LYS 37 2HE LYS 37 6.307 10.774 0.219 316 HE3 LYS 37 1HE LYS 37 6.442 9.049 0.561 317 HZ1 LYS 37 3HZ LYS 37 6.865 8.565 -1.589 318 HZ2 LYS 37 1HZ LYS 37 7.423 10.162 -1.624 319 HZ3 LYS 37 2HZ LYS 37 5.875 9.793 -2.197 320 H THR 38 H THR 38 0.090 9.936 1.424 321 HA THR 38 HA THR 38 -0.812 12.623 0.725 322 HB THR 38 HB THR 38 -1.885 11.412 -1.357 323 HG1 THR 38 1HG THR 38 0.460 9.893 -0.918 324 HG21 THR 38 3HG2 THR 38 0.259 11.843 -2.674 325 HG22 THR 38 1HG2 THR 38 0.924 12.418 -1.145 326 HG23 THR 38 2HG2 THR 38 -0.488 13.204 -1.839 327 H VAL 39 H VAL 39 -2.910 13.001 1.186 328 HA VAL 39 HA VAL 39 -4.843 10.890 1.419 329 HB VAL 39 HB VAL 39 -5.408 11.545 3.827 330 HG11 VAL 39 1HG1 VAL 39 -2.791 10.102 3.598 331 HG12 VAL 39 2HG1 VAL 39 -4.282 9.410 2.958 332 HG13 VAL 39 3HG1 VAL 39 -4.148 9.778 4.677 333 HG21 VAL 39 3HG2 VAL 39 -2.553 12.152 4.268 334 HG22 VAL 39 1HG2 VAL 39 -3.986 12.762 5.097 335 HG23 VAL 39 2HG2 VAL 39 -3.519 13.430 3.537 336 H GLU 40 H GLU 40 -6.257 11.945 0.129 337 HA GLU 40 HA GLU 40 -7.849 14.002 1.202 338 HB2 GLU 40 2HB GLU 40 -5.575 14.827 -0.499 339 HB3 GLU 40 1HB GLU 40 -7.129 15.539 -0.918 340 HG2 GLU 40 2HG GLU 40 -7.009 15.798 1.828 341 HG3 GLU 40 1HG GLU 40 -5.352 16.100 1.304 342 H GLY 41 H GLY 41 -6.667 12.467 -1.758 343 HA2 GLY 41 2HA GLY 41 -9.093 12.903 -3.218 344 HA3 GLY 41 1HA GLY 41 -7.767 11.836 -3.686 345 H VAL 42 H VAL 42 -8.617 9.902 -4.085 346 HA VAL 42 HA VAL 42 -10.637 8.851 -2.222 347 HB VAL 42 HB VAL 42 -11.392 9.001 -4.554 348 HG11 VAL 42 1HG1 VAL 42 -9.353 8.797 -5.767 349 HG12 VAL 42 2HG1 VAL 42 -10.374 7.435 -6.224 350 HG13 VAL 42 3HG1 VAL 42 -9.039 7.201 -5.094 351 HG21 VAL 42 3HG2 VAL 42 -12.012 6.570 -4.836 352 HG22 VAL 42 1HG2 VAL 42 -12.416 7.290 -3.278 353 HG23 VAL 42 2HG2 VAL 42 -11.007 6.239 -3.423 354 H TRP 43 H TRP 43 -10.411 6.806 -1.343 355 HA TRP 43 HA TRP 43 -7.686 5.710 -1.469 356 HB2 TRP 43 2HB TRP 43 -9.736 5.911 0.676 357 HB3 TRP 43 1HB TRP 43 -8.722 4.465 0.672 358 HD1 TRP 43 HD TRP 43 -8.134 8.307 0.464 359 HE1 TRP 43 1HE TRP 43 -6.051 8.856 1.869 360 HE3 TRP 43 3HE TRP 43 -6.882 3.577 1.945 361 HZ2 TRP 43 2HZ TRP 43 -4.129 7.471 3.404 362 HZ3 TRP 43 3HZ TRP 43 -4.906 3.275 3.381 363 HH2 TRP 43 HH TRP 43 -3.558 5.182 4.094 364 H THR 44 H THR 44 -7.580 4.131 -2.936 365 HA THR 44 HA THR 44 -9.834 2.300 -3.261 366 HB THR 44 HB THR 44 -7.303 2.250 -4.884 367 HG1 THR 44 1HG THR 44 -9.491 4.022 -5.105 368 HG21 THR 44 3HG2 THR 44 -8.818 0.432 -5.319 369 HG22 THR 44 1HG2 THR 44 -8.822 1.550 -6.683 370 HG23 THR 44 2HG2 THR 44 -10.157 1.559 -5.530 371 H TYR 45 H TYR 45 -9.382 -0.031 -3.457 372 HA TYR 45 HA TYR 45 -6.983 -1.056 -2.227 373 HB2 TYR 45 2HB TYR 45 -8.183 -0.487 -0.214 374 HB3 TYR 45 1HB TYR 45 -9.654 -1.257 -0.819 375 HD1 TYR 45 1HD TYR 45 -6.224 -1.907 0.413 376 HD2 TYR 45 2HD TYR 45 -10.012 -3.588 -0.550 377 HE1 TYR 45 1HE TYR 45 -5.559 -4.010 1.497 378 HE2 TYR 45 2HE TYR 45 -9.358 -5.697 0.532 379 HH TYR 45 HH TYR 45 -7.633 -6.335 2.428 380 H LYS 46 H LYS 46 -6.557 -3.093 -2.888 381 HA LYS 46 HA LYS 46 -8.497 -4.335 -4.684 382 HB2 LYS 46 2HB LYS 46 -5.630 -5.146 -4.180 383 HB3 LYS 46 1HB LYS 46 -6.665 -5.664 -5.510 384 HG2 LYS 46 2HG LYS 46 -5.875 -2.796 -5.081 385 HG3 LYS 46 1HG LYS 46 -4.932 -3.922 -6.059 386 HD2 LYS 46 2HD LYS 46 -6.866 -4.300 -7.501 387 HD3 LYS 46 1HD LYS 46 -7.828 -3.202 -6.510 388 HE2 LYS 46 2HE LYS 46 -5.269 -2.284 -7.765 389 HE3 LYS 46 1HE LYS 46 -6.762 -2.324 -8.701 390 HZ1 LYS 46 3HZ LYS 46 -6.505 -0.913 -6.106 391 HZ2 LYS 46 1HZ LYS 46 -7.778 -0.804 -7.216 392 HZ3 LYS 46 2HZ LYS 46 -6.262 -0.160 -7.600 393 H ASP 47 H ASP 47 -9.853 -5.738 -3.823 394 HA ASP 47 HA ASP 47 -9.100 -7.256 -1.447 395 HB2 ASP 47 2HB ASP 47 -11.421 -5.993 -2.088 396 HB3 ASP 47 1HB ASP 47 -11.788 -7.643 -2.591 397 H GLU 48 H GLU 48 -7.669 -8.729 -2.385 398 HA GLU 48 HA GLU 48 -8.676 -11.200 -3.108 399 HB2 GLU 48 2HB GLU 48 -7.961 -11.305 -5.511 400 HB3 GLU 48 1HB GLU 48 -9.374 -10.305 -5.223 401 HG2 GLU 48 2HG GLU 48 -7.569 -8.395 -5.059 402 HG3 GLU 48 1HG GLU 48 -6.634 -9.523 -6.038 403 H ILE 49 H ILE 49 -6.056 -8.942 -3.732 404 HA ILE 49 HA ILE 49 -4.118 -11.030 -2.993 405 HB ILE 49 HB ILE 49 -3.868 -10.276 -5.311 406 HG12 ILE 49 2HG1 ILE 49 -1.898 -10.739 -3.591 407 HG13 ILE 49 1HG1 ILE 49 -1.577 -10.249 -5.249 408 HG21 ILE 49 1HG2 ILE 49 -3.460 -7.550 -4.098 409 HG22 ILE 49 2HG2 ILE 49 -4.782 -8.058 -5.149 410 HG23 ILE 49 3HG2 ILE 49 -3.138 -7.964 -5.782 411 HD11 ILE 49 3HD1 ILE 49 -0.496 -9.096 -3.061 412 HD12 ILE 49 1HD1 ILE 49 -1.877 -8.039 -3.349 413 HD13 ILE 49 2HD1 ILE 49 -0.683 -8.296 -4.622 414 H LYS 50 H LYS 50 -5.655 -8.311 -1.905 415 HA LYS 50 HA LYS 50 -5.371 -6.974 -0.098 416 HB2 LYS 50 2HB LYS 50 -3.312 -9.064 0.363 417 HB3 LYS 50 1HB LYS 50 -3.134 -7.568 1.266 418 HG2 LYS 50 2HG LYS 50 -4.447 -8.627 2.746 419 HG3 LYS 50 1HG LYS 50 -5.742 -8.055 1.692 420 HD2 LYS 50 2HD LYS 50 -4.564 -10.576 0.812 421 HD3 LYS 50 1HD LYS 50 -5.288 -10.670 2.418 422 HE2 LYS 50 2HE LYS 50 -6.809 -9.334 0.233 423 HE3 LYS 50 1HE LYS 50 -6.715 -11.095 0.245 424 HZ1 LYS 50 3HZ LYS 50 -7.727 -9.385 2.453 425 HZ2 LYS 50 1HZ LYS 50 -7.598 -11.071 2.509 426 HZ3 LYS 50 2HZ LYS 50 -8.667 -10.340 1.422 427 H THR 51 H THR 51 -5.028 -5.257 -1.607 428 HA THR 51 HA THR 51 -2.319 -4.162 -1.405 429 HB THR 51 HB THR 51 -3.903 -4.237 -3.978 430 HG1 THR 51 1HG THR 51 -1.612 -5.665 -3.130 431 HG21 THR 51 3HG2 THR 51 -2.658 -2.409 -4.393 432 HG22 THR 51 1HG2 THR 51 -1.428 -3.620 -4.750 433 HG23 THR 51 2HG2 THR 51 -1.447 -2.819 -3.179 434 H PHE 52 H PHE 52 -2.525 -2.307 -0.364 435 HA PHE 52 HA PHE 52 -4.976 -0.745 -0.595 436 HB2 PHE 52 2HB PHE 52 -2.895 -1.075 1.397 437 HB3 PHE 52 1HB PHE 52 -3.174 0.629 1.059 438 HD1 PHE 52 2HD PHE 52 -5.991 0.842 0.608 439 HD2 PHE 52 1HD PHE 52 -3.904 -1.622 3.384 440 HE1 PHE 52 2HE PHE 52 -7.976 0.802 2.060 441 HE2 PHE 52 1HE PHE 52 -5.888 -1.668 4.839 442 HZ PHE 52 HZ PHE 52 -7.927 -0.454 4.178 443 H THR 53 H THR 53 -5.139 1.154 -1.683 444 HA THR 53 HA THR 53 -2.684 2.427 -2.648 445 HB THR 53 HB THR 53 -3.853 2.734 -4.890 446 HG1 THR 53 1HG THR 53 -5.463 0.681 -3.786 447 HG21 THR 53 3HG2 THR 53 -3.270 -0.141 -4.263 448 HG22 THR 53 1HG2 THR 53 -2.012 1.079 -4.464 449 HG23 THR 53 2HG2 THR 53 -3.096 0.702 -5.803 450 H VAL 54 H VAL 54 -2.761 4.611 -2.802 451 HA VAL 54 HA VAL 54 -5.331 5.902 -2.155 452 HB VAL 54 HB VAL 54 -2.607 6.917 -1.338 453 HG11 VAL 54 1HG1 VAL 54 -4.461 8.574 -1.652 454 HG12 VAL 54 2HG1 VAL 54 -3.781 8.523 -0.026 455 HG13 VAL 54 3HG1 VAL 54 -5.331 7.749 -0.359 456 HG21 VAL 54 3HG2 VAL 54 -2.914 4.945 -0.076 457 HG22 VAL 54 1HG2 VAL 54 -4.625 5.286 0.183 458 HG23 VAL 54 2HG2 VAL 54 -3.399 6.269 0.984 459 H THR 55 H THR 55 -5.954 6.601 -4.128 460 HA THR 55 HA THR 55 -4.032 7.984 -5.838 461 HB THR 55 HB THR 55 -6.903 7.210 -6.392 462 HG1 THR 55 1HG THR 55 -5.387 5.447 -6.087 463 HG21 THR 55 3HG2 THR 55 -6.664 8.592 -8.123 464 HG22 THR 55 1HG2 THR 55 -5.657 7.315 -8.797 465 HG23 THR 55 2HG2 THR 55 -4.912 8.673 -7.953 466 H GLU 56 H GLU 56 -4.397 10.081 -6.633 467 HA GLU 56 HA GLU 56 -4.952 12.278 -6.473 468 HB2 GLU 56 2HB GLU 56 -7.570 11.102 -5.526 469 HB3 GLU 56 1HB GLU 56 -7.330 12.805 -5.899 470 HG2 GLU 56 2HG GLU 56 -6.849 12.272 -8.200 471 HG3 GLU 56 1HG GLU 56 -6.945 10.545 -7.853 Start of MODEL 14 1 H1 THR 1 1HT THR 1 1.183 -14.007 4.660 2 H2 THR 1 2HT THR 1 0.842 -12.365 5.024 3 H3 THR 1 3HT THR 1 2.431 -12.835 4.573 4 HA THR 1 HA THR 1 1.415 -13.614 2.438 5 HB THR 1 HB THR 1 -0.756 -11.748 3.422 6 HG1 THR 1 1HG THR 1 -1.523 -13.492 4.276 7 HG21 THR 1 3HG2 THR 1 -0.284 -11.793 0.938 8 HG22 THR 1 1HG2 THR 1 -1.932 -12.174 1.443 9 HG23 THR 1 2HG2 THR 1 -0.832 -13.469 0.971 10 H THR 2 H THR 2 1.894 -12.294 0.670 11 HA THR 2 HA THR 2 3.428 -9.931 1.322 12 HB THR 2 HB THR 2 4.263 -11.586 -0.309 13 HG1 THR 2 1HG THR 2 5.111 -10.077 -1.573 14 HG21 THR 2 3HG2 THR 2 3.354 -11.753 -2.524 15 HG22 THR 2 1HG2 THR 2 2.067 -10.617 -2.120 16 HG23 THR 2 2HG2 THR 2 2.119 -12.202 -1.348 17 H TYR 3 H TYR 3 2.683 -7.914 1.261 18 HA TYR 3 HA TYR 3 0.095 -7.426 -0.035 19 HB2 TYR 3 2HB TYR 3 1.331 -6.473 2.393 20 HB3 TYR 3 1HB TYR 3 0.874 -5.117 1.372 21 HD1 TYR 3 2HD TYR 3 -0.420 -8.155 3.045 22 HD2 TYR 3 1HD TYR 3 -1.387 -4.458 1.175 23 HE1 TYR 3 2HE TYR 3 -2.744 -8.381 3.812 24 HE2 TYR 3 1HE TYR 3 -3.712 -4.674 1.937 25 HH TYR 3 HH TYR 3 -5.065 -5.792 3.445 26 H LYS 4 H LYS 4 -0.206 -5.369 -1.170 27 HA LYS 4 HA LYS 4 2.248 -4.327 -2.402 28 HB2 LYS 4 2HB LYS 4 -0.072 -5.623 -3.728 29 HB3 LYS 4 1HB LYS 4 0.588 -4.196 -4.511 30 HG2 LYS 4 2HG LYS 4 2.865 -5.504 -4.092 31 HG3 LYS 4 1HG LYS 4 1.768 -6.885 -4.153 32 HD2 LYS 4 2HD LYS 4 2.435 -6.615 -6.371 33 HD3 LYS 4 1HD LYS 4 0.868 -5.804 -6.309 34 HE2 LYS 4 2HE LYS 4 1.773 -3.738 -6.581 35 HE3 LYS 4 1HE LYS 4 3.255 -4.156 -5.725 36 HZ1 LYS 4 3HZ LYS 4 4.156 -5.144 -7.611 37 HZ2 LYS 4 1HZ LYS 4 3.393 -3.763 -8.225 38 HZ3 LYS 4 2HZ LYS 4 2.661 -5.279 -8.393 39 H LEU 5 H LEU 5 2.069 -2.160 -3.226 40 HA LEU 5 HA LEU 5 -0.372 -0.740 -2.463 41 HB2 LEU 5 2HB LEU 5 1.928 -0.653 -0.923 42 HB3 LEU 5 1HB LEU 5 2.006 0.818 -1.879 43 HG LEU 5 HG LEU 5 -0.455 1.157 -1.082 44 HD11 LEU 5 1HD1 LEU 5 0.573 -0.967 0.743 45 HD12 LEU 5 2HD1 LEU 5 -1.020 -0.794 0.007 46 HD13 LEU 5 3HD1 LEU 5 -0.548 0.250 1.349 47 HD21 LEU 5 3HD2 LEU 5 2.127 1.777 0.136 48 HD22 LEU 5 1HD2 LEU 5 0.771 1.870 1.260 49 HD23 LEU 5 2HD2 LEU 5 0.757 2.829 -0.220 50 H ILE 6 H ILE 6 -0.889 1.019 -3.659 51 HA ILE 6 HA ILE 6 0.996 1.969 -5.665 52 HB ILE 6 HB ILE 6 -1.756 1.705 -6.690 53 HG12 ILE 6 2HG1 ILE 6 0.041 -0.719 -6.429 54 HG13 ILE 6 1HG1 ILE 6 -1.485 -0.481 -5.583 55 HG21 ILE 6 1HG2 ILE 6 0.152 2.652 -7.952 56 HG22 ILE 6 2HG2 ILE 6 -0.624 1.293 -8.765 57 HG23 ILE 6 3HG2 ILE 6 0.911 1.060 -7.929 58 HD11 ILE 6 3HD1 ILE 6 -0.963 -1.343 -8.330 59 HD12 ILE 6 1HD1 ILE 6 -2.259 -0.160 -8.159 60 HD13 ILE 6 2HD1 ILE 6 -2.330 -1.680 -7.268 61 H LEU 7 H LEU 7 1.197 3.985 -4.823 62 HA LEU 7 HA LEU 7 -1.239 5.458 -4.155 63 HB2 LEU 7 2HB LEU 7 1.594 6.310 -3.617 64 HB3 LEU 7 1HB LEU 7 0.123 6.959 -2.902 65 HG LEU 7 HG LEU 7 -0.061 4.371 -2.118 66 HD11 LEU 7 1HD1 LEU 7 2.876 5.026 -2.259 67 HD12 LEU 7 2HD1 LEU 7 2.043 3.686 -3.047 68 HD13 LEU 7 3HD1 LEU 7 2.187 3.725 -1.289 69 HD21 LEU 7 3HD2 LEU 7 0.123 5.236 -0.043 70 HD22 LEU 7 1HD2 LEU 7 0.132 6.770 -0.913 71 HD23 LEU 7 2HD2 LEU 7 1.652 6.041 -0.396 72 H ASN 8 H ASN 8 -1.947 7.175 -5.266 73 HA ASN 8 HA ASN 8 -0.209 8.207 -7.416 74 HB2 ASN 8 2HB ASN 8 -2.067 6.854 -8.319 75 HB3 ASN 8 1HB ASN 8 -3.221 7.898 -7.490 76 HD21 ASN 8 1HD2 ASN 8 -1.494 7.366 -10.312 77 HD22 ASN 8 2HD2 ASN 8 -1.793 8.877 -11.087 78 H LEU 9 H LEU 9 0.382 10.218 -6.998 79 HA LEU 9 HA LEU 9 -1.585 12.198 -6.243 80 HB2 LEU 9 2HB LEU 9 0.650 11.371 -4.410 81 HB3 LEU 9 1HB LEU 9 -0.027 12.997 -4.350 82 HG LEU 9 HG LEU 9 -2.269 11.393 -4.224 83 HD11 LEU 9 1HD1 LEU 9 -0.476 9.531 -3.878 84 HD12 LEU 9 2HD1 LEU 9 -1.935 9.566 -2.887 85 HD13 LEU 9 3HD1 LEU 9 -0.413 10.181 -2.239 86 HD21 LEU 9 3HD2 LEU 9 -1.058 13.378 -2.731 87 HD22 LEU 9 1HD2 LEU 9 -1.188 12.021 -1.601 88 HD23 LEU 9 2HD2 LEU 9 -2.629 12.639 -2.412 89 H LYS 10 H LYS 10 1.908 11.583 -6.552 90 HA LYS 10 HA LYS 10 2.377 14.263 -7.545 91 HB2 LYS 10 2HB LYS 10 3.932 12.520 -6.165 92 HB3 LYS 10 1HB LYS 10 4.506 12.223 -7.799 93 HG2 LYS 10 2HG LYS 10 5.588 14.172 -7.900 94 HG3 LYS 10 1HG LYS 10 4.265 15.059 -7.136 95 HD2 LYS 10 2HD LYS 10 5.502 13.315 -5.220 96 HD3 LYS 10 1HD LYS 10 6.735 14.303 -6.003 97 HE2 LYS 10 2HE LYS 10 4.202 15.545 -4.988 98 HE3 LYS 10 1HE LYS 10 5.539 15.201 -3.886 99 HZ1 LYS 10 3HZ LYS 10 5.477 17.494 -4.911 100 HZ2 LYS 10 1HZ LYS 10 5.896 16.760 -6.379 101 HZ3 LYS 10 2HZ LYS 10 6.943 16.654 -5.054 102 H GLN 11 H GLN 11 4.335 13.799 -9.470 103 HA GLN 11 HA GLN 11 2.883 13.685 -11.822 104 HB2 GLN 11 2HB GLN 11 5.805 12.996 -11.435 105 HB3 GLN 11 1HB GLN 11 5.041 13.410 -12.971 106 HG2 GLN 11 2HG GLN 11 4.699 15.634 -12.320 107 HG3 GLN 11 1HG GLN 11 5.025 15.284 -10.627 108 HE21 GLN 11 1HE2 GLN 11 6.425 15.736 -13.787 109 HE22 GLN 11 2HE2 GLN 11 8.050 15.978 -13.251 110 H ALA 12 H ALA 12 4.328 11.102 -9.967 111 HA ALA 12 HA ALA 12 3.022 9.162 -11.737 112 HB1 ALA 12 1HB ALA 12 5.654 8.411 -10.578 113 HB2 ALA 12 2HB ALA 12 5.635 9.463 -11.993 114 HB3 ALA 12 3HB ALA 12 4.878 7.872 -12.067 115 H LYS 13 H LYS 13 2.734 7.027 -10.691 116 HA LYS 13 HA LYS 13 1.843 7.397 -7.974 117 HB2 LYS 13 2HB LYS 13 0.902 5.148 -8.191 118 HB3 LYS 13 1HB LYS 13 0.451 6.158 -9.559 119 HG2 LYS 13 2HG LYS 13 2.609 5.048 -10.618 120 HG3 LYS 13 1HG LYS 13 2.219 3.781 -9.452 121 HD2 LYS 13 2HD LYS 13 0.896 3.024 -11.116 122 HD3 LYS 13 1HD LYS 13 -0.224 4.241 -10.502 123 HE2 LYS 13 2HE LYS 13 -0.237 5.041 -12.589 124 HE3 LYS 13 1HE LYS 13 1.357 5.692 -12.208 125 HZ1 LYS 13 3HZ LYS 13 0.924 4.132 -14.282 126 HZ2 LYS 13 1HZ LYS 13 1.242 2.930 -13.134 127 HZ3 LYS 13 2HZ LYS 13 2.394 4.127 -13.445 128 H GLU 14 H GLU 14 2.329 5.728 -6.284 129 HA GLU 14 HA GLU 14 5.186 5.008 -6.426 130 HB2 GLU 14 2HB GLU 14 3.433 5.657 -4.054 131 HB3 GLU 14 1HB GLU 14 5.064 4.998 -3.913 132 HG2 GLU 14 2HG GLU 14 5.830 7.071 -3.942 133 HG3 GLU 14 1HG GLU 14 5.302 7.191 -5.620 134 H GLU 15 H GLU 15 5.838 2.956 -6.019 135 HA GLU 15 HA GLU 15 3.720 0.979 -5.478 136 HB2 GLU 15 2HB GLU 15 5.390 1.167 -7.709 137 HB3 GLU 15 1HB GLU 15 6.078 -0.135 -6.748 138 HG2 GLU 15 2HG GLU 15 4.071 -1.378 -6.824 139 HG3 GLU 15 1HG GLU 15 3.165 -0.010 -7.467 140 H ALA 16 H ALA 16 4.163 -0.710 -4.062 141 HA ALA 16 HA ALA 16 6.754 -1.071 -2.897 142 HB1 ALA 16 1HB ALA 16 6.378 0.798 -1.575 143 HB2 ALA 16 2HB ALA 16 5.845 -0.528 -0.542 144 HB3 ALA 16 3HB ALA 16 4.657 0.453 -1.401 145 H ILE 17 H ILE 17 6.888 -2.892 -1.547 146 HA ILE 17 HA ILE 17 4.451 -4.545 -1.421 147 HB ILE 17 HB ILE 17 7.226 -5.646 -1.849 148 HG12 ILE 17 2HG1 ILE 17 5.812 -6.143 -4.163 149 HG13 ILE 17 1HG1 ILE 17 5.317 -4.503 -3.758 150 HG21 ILE 17 1HG2 ILE 17 5.053 -6.902 -0.872 151 HG22 ILE 17 2HG2 ILE 17 6.302 -7.704 -1.826 152 HG23 ILE 17 3HG2 ILE 17 4.813 -7.162 -2.600 153 HD11 ILE 17 3HD1 ILE 17 7.153 -3.870 -4.835 154 HD12 ILE 17 1HD1 ILE 17 7.842 -5.493 -4.795 155 HD13 ILE 17 2HD1 ILE 17 8.033 -4.419 -3.409 156 H LYS 18 H LYS 18 4.066 -5.598 0.475 157 HA LYS 18 HA LYS 18 6.152 -5.645 2.519 158 HB2 LYS 18 2HB LYS 18 4.276 -3.650 2.539 159 HB3 LYS 18 1HB LYS 18 3.521 -4.860 3.568 160 HG2 LYS 18 2HG LYS 18 4.766 -3.380 4.954 161 HG3 LYS 18 1HG LYS 18 5.616 -4.926 4.913 162 HD2 LYS 18 2HD LYS 18 7.429 -4.023 3.952 163 HD3 LYS 18 1HD LYS 18 6.463 -3.086 2.811 164 HE2 LYS 18 2HE LYS 18 6.849 -2.340 5.705 165 HE3 LYS 18 1HE LYS 18 7.842 -1.718 4.388 166 HZ1 LYS 18 3HZ LYS 18 5.985 -0.239 5.049 167 HZ2 LYS 18 1HZ LYS 18 4.893 -1.417 4.516 168 HZ3 LYS 18 2HZ LYS 18 5.947 -0.682 3.417 169 H GLU 19 H GLU 19 6.290 -7.698 3.109 170 HA GLU 19 HA GLU 19 3.882 -9.358 3.125 171 HB2 GLU 19 2HB GLU 19 6.706 -10.360 3.421 172 HB3 GLU 19 1HB GLU 19 5.279 -11.255 2.918 173 HG2 GLU 19 2HG GLU 19 5.750 -10.853 0.801 174 HG3 GLU 19 1HG GLU 19 5.664 -9.116 1.094 175 H LEU 20 H LEU 20 2.920 -9.211 5.024 176 HA LEU 20 HA LEU 20 4.555 -9.358 7.464 177 HB2 LEU 20 2HB LEU 20 2.106 -7.891 6.742 178 HB3 LEU 20 1HB LEU 20 2.095 -8.603 8.343 179 HG LEU 20 HG LEU 20 4.532 -7.404 8.347 180 HD11 LEU 20 1HD1 LEU 20 3.510 -6.422 6.040 181 HD12 LEU 20 2HD1 LEU 20 4.689 -5.582 7.047 182 HD13 LEU 20 3HD1 LEU 20 2.974 -5.199 7.194 183 HD21 LEU 20 3HD2 LEU 20 2.031 -5.899 9.051 184 HD22 LEU 20 1HD2 LEU 20 3.603 -5.857 9.849 185 HD23 LEU 20 2HD2 LEU 20 2.586 -7.292 9.980 186 H VAL 21 H VAL 21 2.706 -10.109 9.312 187 HA VAL 21 HA VAL 21 2.666 -12.888 9.066 188 HB VAL 21 HB VAL 21 2.593 -11.729 11.230 189 HG11 VAL 21 1HG1 VAL 21 -0.325 -11.204 10.745 190 HG12 VAL 21 2HG1 VAL 21 0.919 -9.996 10.422 191 HG13 VAL 21 3HG1 VAL 21 0.694 -10.616 12.059 192 HG21 VAL 21 3HG2 VAL 21 0.806 -13.917 10.464 193 HG22 VAL 21 1HG2 VAL 21 0.374 -13.130 11.981 194 HG23 VAL 21 2HG2 VAL 21 1.984 -13.818 11.771 195 H ASP 22 H ASP 22 -0.004 -10.551 8.657 196 HA ASP 22 HA ASP 22 -1.337 -12.499 6.946 197 HB2 ASP 22 2HB ASP 22 -2.396 -11.507 9.552 198 HB3 ASP 22 1HB ASP 22 -3.534 -11.729 8.227 199 H ALA 23 H ALA 23 -3.086 -9.775 8.255 200 HA ALA 23 HA ALA 23 -2.370 -8.027 6.065 201 HB1 ALA 23 1HB ALA 23 -5.131 -9.216 6.234 202 HB2 ALA 23 2HB ALA 23 -3.947 -9.467 4.953 203 HB3 ALA 23 3HB ALA 23 -4.668 -7.876 5.187 204 H GLY 24 H GLY 24 -3.134 -8.360 9.213 205 HA2 GLY 24 2HA GLY 24 -4.783 -5.977 9.472 206 HA3 GLY 24 1HA GLY 24 -4.245 -7.020 10.781 207 H THR 25 H THR 25 -1.744 -7.015 11.006 208 HA THR 25 HA THR 25 -0.954 -4.479 11.853 209 HB THR 25 HB THR 25 1.123 -6.464 11.038 210 HG1 THR 25 1HG THR 25 -0.854 -6.871 13.006 211 HG21 THR 25 3HG2 THR 25 0.723 -5.007 13.626 212 HG22 THR 25 1HG2 THR 25 1.724 -4.424 12.300 213 HG23 THR 25 2HG2 THR 25 2.140 -5.928 13.120 214 H ALA 26 H ALA 26 -0.605 -6.073 8.759 215 HA ALA 26 HA ALA 26 1.237 -4.145 7.690 216 HB1 ALA 26 1HB ALA 26 -0.290 -5.742 5.770 217 HB2 ALA 26 2HB ALA 26 0.546 -6.695 6.995 218 HB3 ALA 26 3HB ALA 26 1.453 -5.577 5.977 219 H GLU 27 H GLU 27 -2.244 -4.673 7.692 220 HA GLU 27 HA GLU 27 -2.898 -2.798 5.676 221 HB2 GLU 27 2HB GLU 27 -4.577 -4.352 6.308 222 HB3 GLU 27 1HB GLU 27 -4.449 -3.925 8.006 223 HG2 GLU 27 2HG GLU 27 -5.163 -1.560 6.703 224 HG3 GLU 27 1HG GLU 27 -6.131 -2.824 5.949 225 H LYS 28 H LYS 28 -2.389 -2.508 9.137 226 HA LYS 28 HA LYS 28 -3.170 0.252 9.258 227 HB2 LYS 28 2HB LYS 28 -1.794 -1.594 11.204 228 HB3 LYS 28 1HB LYS 28 -2.092 0.102 11.563 229 HG2 LYS 28 2HG LYS 28 -4.477 -1.251 10.618 230 HG3 LYS 28 1HG LYS 28 -3.794 -2.013 12.053 231 HD2 LYS 28 2HD LYS 28 -3.631 0.475 12.896 232 HD3 LYS 28 1HD LYS 28 -4.900 0.734 11.696 233 HE2 LYS 28 2HE LYS 28 -5.337 -1.609 13.390 234 HE3 LYS 28 1HE LYS 28 -5.287 -0.089 14.285 235 HZ1 LYS 28 3HZ LYS 28 -7.112 -0.842 12.081 236 HZ2 LYS 28 1HZ LYS 28 -6.925 0.759 12.591 237 HZ3 LYS 28 2HZ LYS 28 -7.514 -0.409 13.664 238 H TYR 29 H TYR 29 -0.076 -1.498 9.369 239 HA TYR 29 HA TYR 29 1.633 0.660 9.675 240 HB2 TYR 29 2HB TYR 29 2.089 -1.928 9.540 241 HB3 TYR 29 1HB TYR 29 2.398 -1.578 7.838 242 HD1 TYR 29 2HD TYR 29 3.444 -0.695 11.289 243 HD2 TYR 29 1HD TYR 29 4.453 -0.658 7.157 244 HE1 TYR 29 2HE TYR 29 5.728 0.014 11.855 245 HE2 TYR 29 1HE TYR 29 6.740 0.053 7.715 246 HH TYR 29 HH TYR 29 7.752 1.411 9.944 247 H PHE 30 H PHE 30 0.249 -0.692 6.710 248 HA PHE 30 HA PHE 30 1.628 1.050 4.945 249 HB2 PHE 30 2HB PHE 30 -0.387 -1.036 4.747 250 HB3 PHE 30 1HB PHE 30 -0.740 0.308 3.660 251 HD1 PHE 30 2HD PHE 30 1.987 1.178 2.942 252 HD2 PHE 30 1HD PHE 30 0.342 -2.729 3.333 253 HE1 PHE 30 2HE PHE 30 3.647 0.322 1.341 254 HE2 PHE 30 1HE PHE 30 2.001 -3.590 1.731 255 HZ PHE 30 HZ PHE 30 3.655 -2.064 0.734 256 H LYS 31 H LYS 31 -1.444 1.226 6.645 257 HA LYS 31 HA LYS 31 -2.421 3.530 5.292 258 HB2 LYS 31 2HB LYS 31 -3.824 1.923 6.613 259 HB3 LYS 31 1HB LYS 31 -3.120 2.593 8.079 260 HG2 LYS 31 2HG LYS 31 -4.105 4.741 6.497 261 HG3 LYS 31 1HG LYS 31 -5.362 3.508 6.619 262 HD2 LYS 31 2HD LYS 31 -3.963 4.070 9.136 263 HD3 LYS 31 1HD LYS 31 -4.873 5.436 8.486 264 HE2 LYS 31 2HE LYS 31 -6.844 3.913 8.272 265 HE3 LYS 31 1HE LYS 31 -5.916 2.682 9.126 266 HZ1 LYS 31 3HZ LYS 31 -7.039 5.197 10.137 267 HZ2 LYS 31 1HZ LYS 31 -5.642 4.575 10.861 268 HZ3 LYS 31 2HZ LYS 31 -7.060 3.654 10.830 269 H LEU 32 H LEU 32 -0.499 3.009 8.195 270 HA LEU 32 HA LEU 32 -0.521 5.619 9.204 271 HB2 LEU 32 2HB LEU 32 0.705 3.196 9.851 272 HB3 LEU 32 1HB LEU 32 2.039 4.303 9.570 273 HG LEU 32 HG LEU 32 0.831 5.889 11.176 274 HD11 LEU 32 1HD1 LEU 32 -1.303 4.560 11.093 275 HD12 LEU 32 2HD1 LEU 32 -0.724 4.962 12.712 276 HD13 LEU 32 3HD1 LEU 32 -0.490 3.337 12.071 277 HD21 LEU 32 3HD2 LEU 32 2.063 3.293 12.083 278 HD22 LEU 32 1HD2 LEU 32 1.749 4.660 13.152 279 HD23 LEU 32 2HD2 LEU 32 2.877 4.834 11.812 280 H ILE 33 H ILE 33 2.017 4.045 7.251 281 HA ILE 33 HA ILE 33 3.601 6.277 6.808 282 HB ILE 33 HB ILE 33 4.291 3.994 6.227 283 HG12 ILE 33 2HG1 ILE 33 5.288 4.551 3.955 284 HG13 ILE 33 1HG1 ILE 33 4.364 6.048 4.014 285 HG21 ILE 33 1HG2 ILE 33 3.522 2.980 4.116 286 HG22 ILE 33 2HG2 ILE 33 2.343 4.279 3.944 287 HG23 ILE 33 3HG2 ILE 33 2.226 3.154 5.298 288 HD11 ILE 33 3HD1 ILE 33 6.702 5.198 5.648 289 HD12 ILE 33 1HD1 ILE 33 5.550 6.357 6.310 290 HD13 ILE 33 2HD1 ILE 33 6.404 6.721 4.810 291 H ALA 34 H ALA 34 0.659 5.269 5.173 292 HA ALA 34 HA ALA 34 0.803 6.892 2.907 293 HB1 ALA 34 1HB ALA 34 -1.684 6.717 2.885 294 HB2 ALA 34 2HB ALA 34 -1.592 5.923 4.457 295 HB3 ALA 34 3HB ALA 34 -0.852 5.170 3.045 296 H ASN 35 H ASN 35 -0.838 7.558 6.007 297 HA ASN 35 HA ASN 35 -1.520 10.222 5.342 298 HB2 ASN 35 2HB ASN 35 -1.873 10.461 7.835 299 HB3 ASN 35 1HB ASN 35 -2.771 9.155 7.067 300 HD21 ASN 35 1HD2 ASN 35 0.214 9.843 8.824 301 HD22 ASN 35 2HD2 ASN 35 0.307 8.314 9.615 302 H ALA 36 H ALA 36 1.398 8.774 6.476 303 HA ALA 36 HA ALA 36 2.501 11.317 7.378 304 HB1 ALA 36 1HB ALA 36 4.064 8.771 7.223 305 HB2 ALA 36 2HB ALA 36 2.868 9.012 8.496 306 HB3 ALA 36 3HB ALA 36 4.231 10.121 8.346 307 H LYS 37 H LYS 37 2.118 9.824 4.444 308 HA LYS 37 HA LYS 37 4.592 11.024 3.388 309 HB2 LYS 37 2HB LYS 37 3.202 8.481 2.765 310 HB3 LYS 37 1HB LYS 37 3.882 9.355 1.400 311 HG2 LYS 37 2HG LYS 37 5.622 8.977 3.765 312 HG3 LYS 37 1HG LYS 37 5.260 7.556 2.783 313 HD2 LYS 37 2HD LYS 37 6.153 8.590 0.826 314 HD3 LYS 37 1HD LYS 37 6.292 10.148 1.645 315 HE2 LYS 37 2HE LYS 37 8.466 9.369 1.718 316 HE3 LYS 37 1HE LYS 37 7.837 8.855 3.283 317 HZ1 LYS 37 3HZ LYS 37 8.731 6.907 2.617 318 HZ2 LYS 37 1HZ LYS 37 8.590 7.256 0.967 319 HZ3 LYS 37 2HZ LYS 37 7.241 6.727 1.839 320 H THR 38 H THR 38 1.669 9.896 1.724 321 HA THR 38 HA THR 38 0.904 12.624 1.077 322 HB THR 38 HB THR 38 0.758 11.666 -1.423 323 HG1 THR 38 1HG THR 38 1.840 9.885 -1.531 324 HG21 THR 38 3HG2 THR 38 2.042 13.702 -0.465 325 HG22 THR 38 1HG2 THR 38 2.523 13.015 -2.017 326 HG23 THR 38 2HG2 THR 38 3.444 12.628 -0.559 327 H VAL 39 H VAL 39 -1.239 12.817 0.975 328 HA VAL 39 HA VAL 39 -3.026 10.988 -0.152 329 HB VAL 39 HB VAL 39 -2.443 9.553 1.743 330 HG11 VAL 39 1HG1 VAL 39 -2.943 10.168 4.020 331 HG12 VAL 39 2HG1 VAL 39 -3.560 11.732 3.499 332 HG13 VAL 39 3HG1 VAL 39 -1.847 11.359 3.320 333 HG21 VAL 39 3HG2 VAL 39 -5.015 9.906 2.764 334 HG22 VAL 39 1HG2 VAL 39 -4.532 8.848 1.438 335 HG23 VAL 39 2HG2 VAL 39 -5.099 10.483 1.099 336 H GLU 40 H GLU 40 -4.686 12.217 -0.734 337 HA GLU 40 HA GLU 40 -6.089 13.902 1.078 338 HB2 GLU 40 2HB GLU 40 -3.956 15.208 0.394 339 HB3 GLU 40 1HB GLU 40 -4.769 15.408 -1.160 340 HG2 GLU 40 2HG GLU 40 -6.475 16.696 -0.240 341 HG3 GLU 40 1HG GLU 40 -6.122 16.162 1.402 342 H GLY 41 H GLY 41 -6.528 11.759 -0.900 343 HA2 GLY 41 2HA GLY 41 -8.646 13.123 -2.427 344 HA3 GLY 41 1HA GLY 41 -7.551 12.024 -3.256 345 H VAL 42 H VAL 42 -8.419 10.103 -3.608 346 HA VAL 42 HA VAL 42 -10.391 9.075 -1.676 347 HB VAL 42 HB VAL 42 -11.320 9.451 -3.911 348 HG11 VAL 42 1HG1 VAL 42 -9.340 7.401 -4.876 349 HG12 VAL 42 2HG1 VAL 42 -9.211 9.131 -5.163 350 HG13 VAL 42 3HG1 VAL 42 -10.563 8.225 -5.841 351 HG21 VAL 42 3HG2 VAL 42 -11.039 6.581 -3.073 352 HG22 VAL 42 1HG2 VAL 42 -12.160 7.126 -4.319 353 HG23 VAL 42 2HG2 VAL 42 -12.334 7.705 -2.663 354 H TRP 43 H TRP 43 -10.256 6.962 -0.966 355 HA TRP 43 HA TRP 43 -7.624 5.721 -1.309 356 HB2 TRP 43 2HB TRP 43 -9.758 5.504 0.802 357 HB3 TRP 43 1HB TRP 43 -8.477 4.296 0.675 358 HD1 TRP 43 HD TRP 43 -8.686 8.173 0.954 359 HE1 TRP 43 1HE TRP 43 -6.765 8.953 2.479 360 HE3 TRP 43 3HE TRP 43 -6.484 3.649 1.864 361 HZ2 TRP 43 2HZ TRP 43 -4.601 7.803 3.881 362 HZ3 TRP 43 3HZ TRP 43 -4.492 3.576 3.307 363 HH2 TRP 43 HH TRP 43 -3.572 5.611 4.294 364 H THR 44 H THR 44 -7.349 3.773 -2.243 365 HA THR 44 HA THR 44 -9.762 2.264 -2.998 366 HB THR 44 HB THR 44 -7.737 1.716 -4.899 367 HG1 THR 44 1HG THR 44 -7.412 3.831 -5.730 368 HG21 THR 44 3HG2 THR 44 -9.468 1.857 -6.259 369 HG22 THR 44 1HG2 THR 44 -9.656 3.577 -5.916 370 HG23 THR 44 2HG2 THR 44 -10.451 2.381 -4.892 371 H TYR 45 H TYR 45 -9.600 0.017 -3.018 372 HA TYR 45 HA TYR 45 -7.091 -1.189 -2.132 373 HB2 TYR 45 2HB TYR 45 -8.319 -0.692 -0.064 374 HB3 TYR 45 1HB TYR 45 -9.722 -1.568 -0.680 375 HD1 TYR 45 2HD TYR 45 -9.658 -4.022 -0.881 376 HD2 TYR 45 1HD TYR 45 -6.421 -1.856 0.832 377 HE1 TYR 45 2HE TYR 45 -8.783 -6.106 0.090 378 HE2 TYR 45 1HE TYR 45 -5.538 -3.933 1.804 379 HH TYR 45 HH TYR 45 -5.675 -6.378 1.365 380 H LYS 46 H LYS 46 -6.681 -2.916 -3.337 381 HA LYS 46 HA LYS 46 -8.893 -4.182 -4.787 382 HB2 LYS 46 2HB LYS 46 -6.016 -3.765 -5.312 383 HB3 LYS 46 1HB LYS 46 -6.655 -5.329 -5.819 384 HG2 LYS 46 2HG LYS 46 -8.300 -3.020 -6.579 385 HG3 LYS 46 1HG LYS 46 -6.701 -3.079 -7.324 386 HD2 LYS 46 2HD LYS 46 -7.131 -5.277 -8.200 387 HD3 LYS 46 1HD LYS 46 -8.660 -5.372 -7.324 388 HE2 LYS 46 2HE LYS 46 -8.254 -3.102 -9.200 389 HE3 LYS 46 1HE LYS 46 -8.552 -4.701 -9.883 390 HZ1 LYS 46 3HZ LYS 46 -10.479 -3.022 -9.187 391 HZ2 LYS 46 1HZ LYS 46 -10.324 -3.879 -7.736 392 HZ3 LYS 46 2HZ LYS 46 -10.672 -4.705 -9.173 393 H ASP 47 H ASP 47 -9.566 -6.178 -4.327 394 HA ASP 47 HA ASP 47 -8.227 -7.624 -2.180 395 HB2 ASP 47 2HB ASP 47 -10.279 -9.016 -2.155 396 HB3 ASP 47 1HB ASP 47 -10.610 -7.297 -1.933 397 H GLU 48 H GLU 48 -7.407 -7.513 -5.156 398 HA GLU 48 HA GLU 48 -7.748 -10.155 -6.155 399 HB2 GLU 48 2HB GLU 48 -7.263 -8.164 -7.575 400 HB3 GLU 48 1HB GLU 48 -5.639 -8.126 -6.906 401 HG2 GLU 48 2HG GLU 48 -4.977 -10.007 -8.040 402 HG3 GLU 48 1HG GLU 48 -6.621 -10.627 -8.186 403 H ILE 49 H ILE 49 -5.174 -8.497 -4.393 404 HA ILE 49 HA ILE 49 -4.185 -11.038 -3.429 405 HB ILE 49 HB ILE 49 -1.819 -10.507 -4.022 406 HG12 ILE 49 2HG1 ILE 49 -2.279 -8.078 -4.516 407 HG13 ILE 49 1HG1 ILE 49 -1.306 -8.908 -5.725 408 HG21 ILE 49 1HG2 ILE 49 -1.997 -11.301 -6.353 409 HG22 ILE 49 2HG2 ILE 49 -3.733 -10.994 -6.298 410 HG23 ILE 49 3HG2 ILE 49 -3.019 -12.207 -5.237 411 HD11 ILE 49 3HD1 ILE 49 -2.717 -8.219 -7.274 412 HD12 ILE 49 1HD1 ILE 49 -3.757 -7.500 -6.044 413 HD13 ILE 49 2HD1 ILE 49 -3.986 -9.183 -6.517 414 H LYS 50 H LYS 50 -5.433 -8.626 -2.331 415 HA LYS 50 HA LYS 50 -5.277 -7.307 -0.485 416 HB2 LYS 50 2HB LYS 50 -3.346 -9.468 -0.020 417 HB3 LYS 50 1HB LYS 50 -3.004 -8.003 0.889 418 HG2 LYS 50 2HG LYS 50 -4.466 -8.715 2.393 419 HG3 LYS 50 1HG LYS 50 -5.733 -8.385 1.210 420 HD2 LYS 50 2HD LYS 50 -4.377 -10.944 0.801 421 HD3 LYS 50 1HD LYS 50 -5.211 -10.823 2.351 422 HE2 LYS 50 2HE LYS 50 -7.286 -10.366 1.299 423 HE3 LYS 50 1HE LYS 50 -6.514 -10.110 -0.265 424 HZ1 LYS 50 3HZ LYS 50 -6.989 -12.647 1.163 425 HZ2 LYS 50 1HZ LYS 50 -5.784 -12.537 -0.020 426 HZ3 LYS 50 2HZ LYS 50 -7.397 -12.230 -0.424 427 H THR 51 H THR 51 -4.881 -5.425 -1.701 428 HA THR 51 HA THR 51 -2.212 -4.329 -1.289 429 HB THR 51 HB THR 51 -2.038 -5.234 -3.519 430 HG1 THR 51 1HG THR 51 -1.377 -3.416 -4.492 431 HG21 THR 51 3HG2 THR 51 -3.931 -5.516 -4.660 432 HG22 THR 51 1HG2 THR 51 -3.677 -3.851 -5.183 433 HG23 THR 51 2HG2 THR 51 -4.748 -4.194 -3.825 434 H PHE 52 H PHE 52 -2.244 -2.249 -0.714 435 HA PHE 52 HA PHE 52 -4.825 -0.860 -0.727 436 HB2 PHE 52 2HB PHE 52 -2.651 -1.046 1.138 437 HB3 PHE 52 1HB PHE 52 -2.867 0.640 0.682 438 HD1 PHE 52 1HD PHE 52 -5.720 0.906 0.342 439 HD2 PHE 52 2HD PHE 52 -3.542 -1.324 3.245 440 HE1 PHE 52 1HE PHE 52 -7.617 1.081 1.897 441 HE2 PHE 52 2HE PHE 52 -5.436 -1.153 4.798 442 HZ PHE 52 HZ PHE 52 -7.478 0.052 4.130 443 H THR 53 H THR 53 -4.985 1.327 -1.475 444 HA THR 53 HA THR 53 -2.703 2.369 -2.962 445 HB THR 53 HB THR 53 -4.431 2.869 -4.869 446 HG1 THR 53 1HG THR 53 -5.516 0.521 -3.708 447 HG21 THR 53 3HG2 THR 53 -3.590 1.151 -6.119 448 HG22 THR 53 1HG2 THR 53 -3.646 0.002 -4.782 449 HG23 THR 53 2HG2 THR 53 -2.393 1.242 -4.827 450 H VAL 54 H VAL 54 -2.564 4.534 -2.947 451 HA VAL 54 HA VAL 54 -4.872 6.032 -1.886 452 HB VAL 54 HB VAL 54 -1.955 6.677 -1.429 453 HG11 VAL 54 1HG1 VAL 54 -4.483 7.902 -0.330 454 HG12 VAL 54 2HG1 VAL 54 -3.334 8.658 -1.434 455 HG13 VAL 54 3HG1 VAL 54 -2.852 8.284 0.221 456 HG21 VAL 54 3HG2 VAL 54 -2.160 5.842 0.767 457 HG22 VAL 54 1HG2 VAL 54 -2.845 4.598 -0.280 458 HG23 VAL 54 2HG2 VAL 54 -3.910 5.675 0.624 459 H THR 55 H THR 55 -5.697 6.884 -3.719 460 HA THR 55 HA THR 55 -3.901 8.227 -5.601 461 HB THR 55 HB THR 55 -6.826 7.502 -5.854 462 HG1 THR 55 1HG THR 55 -4.468 6.340 -6.900 463 HG21 THR 55 3HG2 THR 55 -4.949 8.837 -7.761 464 HG22 THR 55 1HG2 THR 55 -6.597 9.284 -7.323 465 HG23 THR 55 2HG2 THR 55 -6.306 7.867 -8.331 466 H GLU 56 H GLU 56 -4.613 10.323 -6.495 467 HA GLU 56 HA GLU 56 -6.414 11.905 -4.887 468 HB2 GLU 56 2HB GLU 56 -4.136 11.920 -3.729 469 HB3 GLU 56 1HB GLU 56 -3.556 12.835 -5.115 470 HG2 GLU 56 2HG GLU 56 -5.865 14.160 -4.324 471 HG3 GLU 56 1HG GLU 56 -5.063 13.716 -2.817 Start of MODEL 15 1 H1 THR 1 1HT THR 1 -0.214 -13.969 4.032 2 H2 THR 1 2HT THR 1 -0.375 -12.266 3.879 3 H3 THR 1 3HT THR 1 1.116 -12.948 4.389 4 HA THR 1 HA THR 1 1.396 -13.995 2.285 5 HB THR 1 HB THR 1 -1.013 -14.300 1.841 6 HG1 THR 1 1HG THR 1 0.519 -14.312 0.100 7 HG21 THR 1 3HG2 THR 1 -1.054 -11.406 1.995 8 HG22 THR 1 1HG2 THR 1 -2.376 -12.569 2.102 9 HG23 THR 1 2HG2 THR 1 -1.805 -12.024 0.524 10 H THR 2 H THR 2 1.325 -12.437 0.033 11 HA THR 2 HA THR 2 3.100 -10.293 0.783 12 HB THR 2 HB THR 2 2.117 -10.851 -2.007 13 HG1 THR 2 1HG THR 2 3.842 -12.354 -2.146 14 HG21 THR 2 3HG2 THR 2 3.531 -9.128 -2.312 15 HG22 THR 2 1HG2 THR 2 4.738 -10.411 -2.249 16 HG23 THR 2 2HG2 THR 2 4.411 -9.437 -0.816 17 H TYR 3 H TYR 3 2.472 -8.295 1.227 18 HA TYR 3 HA TYR 3 -0.107 -7.360 0.157 19 HB2 TYR 3 2HB TYR 3 1.047 -7.259 2.783 20 HB3 TYR 3 1HB TYR 3 0.789 -5.617 2.204 21 HD1 TYR 3 2HD TYR 3 -1.576 -5.156 1.164 22 HD2 TYR 3 1HD TYR 3 -0.712 -8.384 3.800 23 HE1 TYR 3 2HE TYR 3 -3.962 -5.325 1.730 24 HE2 TYR 3 1HE TYR 3 -3.097 -8.563 4.369 25 HH TYR 3 HH TYR 3 -5.306 -6.228 3.797 26 H LYS 4 H LYS 4 -0.030 -5.881 -1.400 27 HA LYS 4 HA LYS 4 2.417 -4.259 -1.666 28 HB2 LYS 4 2HB LYS 4 0.868 -5.780 -3.567 29 HB3 LYS 4 1HB LYS 4 0.944 -4.093 -4.058 30 HG2 LYS 4 2HG LYS 4 3.089 -4.245 -4.643 31 HG3 LYS 4 1HG LYS 4 3.515 -5.147 -3.187 32 HD2 LYS 4 2HD LYS 4 3.945 -6.605 -4.994 33 HD3 LYS 4 1HD LYS 4 2.428 -7.158 -4.283 34 HE2 LYS 4 2HE LYS 4 1.733 -7.136 -6.429 35 HE3 LYS 4 1HE LYS 4 1.479 -5.422 -6.102 36 HZ1 LYS 4 3HZ LYS 4 3.193 -4.829 -7.412 37 HZ2 LYS 4 1HZ LYS 4 2.916 -6.329 -8.144 38 HZ3 LYS 4 2HZ LYS 4 4.143 -6.164 -6.993 39 H LEU 5 H LEU 5 2.176 -2.057 -2.442 40 HA LEU 5 HA LEU 5 -0.478 -0.886 -2.041 41 HB2 LEU 5 2HB LEU 5 1.214 -0.777 0.004 42 HB3 LEU 5 1HB LEU 5 1.841 0.583 -0.917 43 HG LEU 5 HG LEU 5 -0.679 1.330 -0.955 44 HD11 LEU 5 1HD1 LEU 5 -1.591 -0.649 0.086 45 HD12 LEU 5 2HD1 LEU 5 -1.822 0.744 1.141 46 HD13 LEU 5 3HD1 LEU 5 -0.550 -0.425 1.489 47 HD21 LEU 5 3HD2 LEU 5 0.451 1.763 1.720 48 HD22 LEU 5 1HD2 LEU 5 -0.034 2.927 0.487 49 HD23 LEU 5 2HD2 LEU 5 1.538 2.131 0.381 50 H ILE 6 H ILE 6 -0.869 1.014 -3.142 51 HA ILE 6 HA ILE 6 1.290 2.137 -4.732 52 HB ILE 6 HB ILE 6 -1.270 1.827 -6.196 53 HG12 ILE 6 2HG1 ILE 6 0.732 -0.436 -6.006 54 HG13 ILE 6 1HG1 ILE 6 -0.848 -0.436 -5.227 55 HG21 ILE 6 1HG2 ILE 6 0.995 2.974 -6.872 56 HG22 ILE 6 2HG2 ILE 6 0.022 2.105 -8.059 57 HG23 ILE 6 3HG2 ILE 6 1.431 1.329 -7.334 58 HD11 ILE 6 3HD1 ILE 6 -0.157 -0.685 -8.109 59 HD12 ILE 6 1HD1 ILE 6 -1.719 -0.011 -7.645 60 HD13 ILE 6 2HD1 ILE 6 -1.271 -1.636 -7.127 61 H LEU 7 H LEU 7 1.321 4.236 -4.213 62 HA LEU 7 HA LEU 7 -1.246 5.548 -3.650 63 HB2 LEU 7 2HB LEU 7 1.509 6.408 -2.786 64 HB3 LEU 7 1HB LEU 7 -0.008 7.175 -2.335 65 HG LEU 7 HG LEU 7 -0.646 4.982 -1.230 66 HD11 LEU 7 1HD1 LEU 7 1.743 3.886 -0.555 67 HD12 LEU 7 2HD1 LEU 7 2.022 4.312 -2.243 68 HD13 LEU 7 3HD1 LEU 7 0.672 3.264 -1.811 69 HD21 LEU 7 3HD2 LEU 7 -0.156 6.485 0.381 70 HD22 LEU 7 1HD2 LEU 7 1.386 6.930 -0.349 71 HD23 LEU 7 2HD2 LEU 7 1.257 5.453 0.604 72 H ASN 8 H ASN 8 -2.015 6.864 -5.135 73 HA ASN 8 HA ASN 8 -0.102 8.178 -6.956 74 HB2 ASN 8 2HB ASN 8 -1.788 6.583 -7.962 75 HB3 ASN 8 1HB ASN 8 -3.046 7.716 -7.464 76 HD21 ASN 8 1HD2 ASN 8 -3.669 9.066 -8.965 77 HD22 ASN 8 2HD2 ASN 8 -2.720 9.632 -10.292 78 H LEU 9 H LEU 9 0.131 10.303 -6.755 79 HA LEU 9 HA LEU 9 -2.122 11.899 -5.765 80 HB2 LEU 9 2HB LEU 9 -0.536 13.224 -4.383 81 HB3 LEU 9 1HB LEU 9 -0.760 11.577 -3.824 82 HG LEU 9 HG LEU 9 1.518 11.968 -5.653 83 HD11 LEU 9 1HD1 LEU 9 2.198 13.851 -4.620 84 HD12 LEU 9 2HD1 LEU 9 2.751 12.722 -3.390 85 HD13 LEU 9 3HD1 LEU 9 1.212 13.550 -3.188 86 HD21 LEU 9 3HD2 LEU 9 2.594 10.593 -3.828 87 HD22 LEU 9 1HD2 LEU 9 1.243 9.840 -4.675 88 HD23 LEU 9 2HD2 LEU 9 1.005 10.526 -3.067 89 H LYS 10 H LYS 10 -1.242 14.370 -5.858 90 HA LYS 10 HA LYS 10 -0.864 14.855 -8.655 91 HB2 LYS 10 2HB LYS 10 -2.103 16.248 -6.722 92 HB3 LYS 10 1HB LYS 10 -0.552 17.074 -6.710 93 HG2 LYS 10 2HG LYS 10 -0.785 17.553 -9.095 94 HG3 LYS 10 1HG LYS 10 -2.337 16.715 -9.110 95 HD2 LYS 10 2HD LYS 10 -3.399 18.381 -7.924 96 HD3 LYS 10 1HD LYS 10 -1.904 18.941 -7.171 97 HE2 LYS 10 2HE LYS 10 -2.552 20.597 -8.731 98 HE3 LYS 10 1HE LYS 10 -1.187 19.746 -9.440 99 HZ1 LYS 10 3HZ LYS 10 -3.100 20.191 -10.970 100 HZ2 LYS 10 1HZ LYS 10 -4.002 19.073 -10.069 101 HZ3 LYS 10 2HZ LYS 10 -2.612 18.572 -10.888 102 H GLN 11 H GLN 11 1.250 13.530 -8.433 103 HA GLN 11 HA GLN 11 3.408 15.257 -8.920 104 HB2 GLN 11 2HB GLN 11 3.187 15.398 -6.369 105 HB3 GLN 11 1HB GLN 11 3.774 13.727 -6.345 106 HG2 GLN 11 2HG GLN 11 5.883 14.334 -6.766 107 HG3 GLN 11 1HG GLN 11 5.405 15.554 -7.945 108 HE21 GLN 11 1HE2 GLN 11 7.336 16.480 -6.654 109 HE22 GLN 11 2HE2 GLN 11 6.910 17.508 -5.333 110 H ALA 12 H ALA 12 2.753 12.034 -7.534 111 HA ALA 12 HA ALA 12 3.541 10.623 -9.833 112 HB1 ALA 12 1HB ALA 12 5.622 10.091 -7.821 113 HB2 ALA 12 2HB ALA 12 5.750 11.632 -8.662 114 HB3 ALA 12 3HB ALA 12 5.723 10.131 -9.582 115 H LYS 13 H LYS 13 3.631 8.286 -9.481 116 HA LYS 13 HA LYS 13 1.857 7.531 -7.295 117 HB2 LYS 13 2HB LYS 13 1.890 6.819 -9.924 118 HB3 LYS 13 1HB LYS 13 2.736 5.459 -9.199 119 HG2 LYS 13 2HG LYS 13 0.894 4.735 -8.067 120 HG3 LYS 13 1HG LYS 13 0.192 6.350 -7.952 121 HD2 LYS 13 2HD LYS 13 -1.191 5.583 -9.560 122 HD3 LYS 13 1HD LYS 13 0.154 5.988 -10.629 123 HE2 LYS 13 2HE LYS 13 -0.614 3.301 -9.523 124 HE3 LYS 13 1HE LYS 13 -0.494 3.796 -11.211 125 HZ1 LYS 13 3HZ LYS 13 1.449 2.655 -10.946 126 HZ2 LYS 13 1HZ LYS 13 1.640 3.098 -9.324 127 HZ3 LYS 13 2HZ LYS 13 1.979 4.212 -10.551 128 H GLU 14 H GLU 14 2.339 5.937 -5.756 129 HA GLU 14 HA GLU 14 5.218 5.343 -5.519 130 HB2 GLU 14 2HB GLU 14 3.055 5.540 -3.422 131 HB3 GLU 14 1HB GLU 14 4.675 4.929 -3.091 132 HG2 GLU 14 2HG GLU 14 5.094 7.054 -2.533 133 HG3 GLU 14 1HG GLU 14 5.271 7.278 -4.272 134 H GLU 15 H GLU 15 5.757 3.254 -4.457 135 HA GLU 15 HA GLU 15 3.780 1.147 -4.732 136 HB2 GLU 15 2HB GLU 15 5.756 1.668 -6.760 137 HB3 GLU 15 1HB GLU 15 6.053 0.096 -6.030 138 HG2 GLU 15 2HG GLU 15 3.663 -0.470 -6.456 139 HG3 GLU 15 1HG GLU 15 3.521 1.045 -7.346 140 H ALA 16 H ALA 16 3.923 0.146 -2.847 141 HA ALA 16 HA ALA 16 6.600 -0.402 -1.740 142 HB1 ALA 16 1HB ALA 16 5.216 1.238 -0.438 143 HB2 ALA 16 2HB ALA 16 5.739 -0.182 0.468 144 HB3 ALA 16 3HB ALA 16 4.081 -0.075 -0.123 145 H ILE 17 H ILE 17 6.891 -2.423 -0.671 146 HA ILE 17 HA ILE 17 4.783 -4.415 -1.123 147 HB ILE 17 HB ILE 17 6.594 -6.046 -1.812 148 HG12 ILE 17 2HG1 ILE 17 8.321 -4.139 -3.045 149 HG13 ILE 17 1HG1 ILE 17 8.220 -3.747 -1.332 150 HG21 ILE 17 1HG2 ILE 17 6.743 -4.664 -4.157 151 HG22 ILE 17 2HG2 ILE 17 5.344 -3.920 -3.383 152 HG23 ILE 17 3HG2 ILE 17 5.382 -5.664 -3.651 153 HD11 ILE 17 3HD1 ILE 17 8.539 -6.510 -1.424 154 HD12 ILE 17 1HD1 ILE 17 9.747 -5.305 -0.978 155 HD13 ILE 17 2HD1 ILE 17 9.639 -5.870 -2.645 156 H LYS 18 H LYS 18 4.323 -5.297 0.767 157 HA LYS 18 HA LYS 18 6.515 -6.160 2.495 158 HB2 LYS 18 2HB LYS 18 5.624 -5.217 4.468 159 HB3 LYS 18 1HB LYS 18 5.584 -3.924 3.281 160 HG2 LYS 18 2HG LYS 18 3.155 -4.637 2.879 161 HG3 LYS 18 1HG LYS 18 3.311 -5.520 4.399 162 HD2 LYS 18 2HD LYS 18 4.198 -2.688 4.361 163 HD3 LYS 18 1HD LYS 18 2.462 -2.998 4.296 164 HE2 LYS 18 2HE LYS 18 2.663 -3.004 6.545 165 HE3 LYS 18 1HE LYS 18 3.151 -4.676 6.276 166 HZ1 LYS 18 3HZ LYS 18 5.284 -4.233 6.799 167 HZ2 LYS 18 1HZ LYS 18 4.600 -2.948 7.663 168 HZ3 LYS 18 2HZ LYS 18 5.261 -2.681 6.129 169 H GLU 19 H GLU 19 6.276 -8.286 2.573 170 HA GLU 19 HA GLU 19 3.609 -9.455 2.491 171 HB2 GLU 19 2HB GLU 19 4.900 -11.609 2.190 172 HB3 GLU 19 1HB GLU 19 5.076 -10.430 0.898 173 HG2 GLU 19 2HG GLU 19 7.263 -10.095 1.311 174 HG3 GLU 19 1HG GLU 19 7.076 -10.287 3.054 175 H LEU 20 H LEU 20 2.728 -9.539 4.421 176 HA LEU 20 HA LEU 20 4.265 -10.764 6.612 177 HB2 LEU 20 2HB LEU 20 2.416 -8.400 6.659 178 HB3 LEU 20 1HB LEU 20 2.668 -9.366 8.101 179 HG LEU 20 HG LEU 20 5.234 -8.885 7.437 180 HD11 LEU 20 1HD1 LEU 20 3.947 -7.304 5.616 181 HD12 LEU 20 2HD1 LEU 20 5.599 -7.071 6.188 182 HD13 LEU 20 3HD1 LEU 20 4.274 -6.175 6.931 183 HD21 LEU 20 3HD2 LEU 20 3.672 -8.315 9.515 184 HD22 LEU 20 1HD2 LEU 20 3.876 -6.683 8.880 185 HD23 LEU 20 2HD2 LEU 20 5.289 -7.636 9.332 186 H VAL 21 H VAL 21 2.749 -11.644 8.353 187 HA VAL 21 HA VAL 21 0.708 -13.240 7.002 188 HB VAL 21 HB VAL 21 0.716 -14.611 9.070 189 HG11 VAL 21 1HG1 VAL 21 3.083 -14.181 7.351 190 HG12 VAL 21 2HG1 VAL 21 2.101 -15.626 7.593 191 HG13 VAL 21 3HG1 VAL 21 3.317 -15.175 8.788 192 HG21 VAL 21 3HG2 VAL 21 1.395 -12.783 10.603 193 HG22 VAL 21 1HG2 VAL 21 3.019 -12.858 9.918 194 HG23 VAL 21 2HG2 VAL 21 2.364 -14.246 10.788 195 H ASP 22 H ASP 22 0.404 -10.354 7.955 196 HA ASP 22 HA ASP 22 -2.188 -10.772 9.215 197 HB2 ASP 22 2HB ASP 22 0.139 -9.517 10.524 198 HB3 ASP 22 1HB ASP 22 -1.361 -8.603 10.640 199 H ALA 23 H ALA 23 -3.583 -9.770 7.960 200 HA ALA 23 HA ALA 23 -2.838 -7.712 6.134 201 HB1 ALA 23 1HB ALA 23 -5.541 -8.787 6.918 202 HB2 ALA 23 2HB ALA 23 -4.571 -9.257 5.522 203 HB3 ALA 23 3HB ALA 23 -5.263 -7.637 5.611 204 H GLY 24 H GLY 24 -3.570 -7.638 9.413 205 HA2 GLY 24 2HA GLY 24 -4.805 -5.004 9.387 206 HA3 GLY 24 1HA GLY 24 -4.464 -5.983 10.808 207 H THR 25 H THR 25 -1.942 -6.436 10.931 208 HA THR 25 HA THR 25 -0.734 -3.995 11.605 209 HB THR 25 HB THR 25 0.884 -6.444 10.985 210 HG1 THR 25 1HG THR 25 -0.000 -7.542 12.542 211 HG21 THR 25 3HG2 THR 25 1.027 -4.282 13.044 212 HG22 THR 25 1HG2 THR 25 2.234 -4.750 11.855 213 HG23 THR 25 2HG2 THR 25 1.893 -5.807 13.223 214 H ALA 26 H ALA 26 -0.577 -5.984 8.709 215 HA ALA 26 HA ALA 26 1.523 -4.518 7.468 216 HB1 ALA 26 1HB ALA 26 1.078 -5.828 5.528 217 HB2 ALA 26 2HB ALA 26 -0.536 -6.245 6.106 218 HB3 ALA 26 3HB ALA 26 0.888 -6.884 6.928 219 H GLU 27 H GLU 27 -2.027 -4.403 7.351 220 HA GLU 27 HA GLU 27 -2.049 -2.407 5.279 221 HB2 GLU 27 2HB GLU 27 -4.397 -2.331 5.520 222 HB3 GLU 27 1HB GLU 27 -3.950 -4.007 5.783 223 HG2 GLU 27 2HG GLU 27 -4.151 -3.703 8.182 224 HG3 GLU 27 1HG GLU 27 -4.539 -2.001 7.948 225 H LYS 28 H LYS 28 -1.873 -2.394 8.739 226 HA LYS 28 HA LYS 28 -2.632 0.319 9.135 227 HB2 LYS 28 2HB LYS 28 -1.202 -1.735 10.796 228 HB3 LYS 28 1HB LYS 28 -1.274 -0.064 11.321 229 HG2 LYS 28 2HG LYS 28 -3.701 -0.139 11.305 230 HG3 LYS 28 1HG LYS 28 -3.657 -1.800 10.714 231 HD2 LYS 28 2HD LYS 28 -2.030 -1.792 12.985 232 HD3 LYS 28 1HD LYS 28 -3.428 -0.805 13.418 233 HE2 LYS 28 2HE LYS 28 -3.955 -3.354 12.002 234 HE3 LYS 28 1HE LYS 28 -3.395 -3.465 13.666 235 HZ1 LYS 28 3HZ LYS 28 -5.523 -1.553 13.161 236 HZ2 LYS 28 1HZ LYS 28 -5.309 -2.620 14.459 237 HZ3 LYS 28 2HZ LYS 28 -5.948 -3.181 13.001 238 H TYR 29 H TYR 29 0.504 -1.342 8.936 239 HA TYR 29 HA TYR 29 2.146 0.894 9.254 240 HB2 TYR 29 2HB TYR 29 2.636 -1.731 8.994 241 HB3 TYR 29 1HB TYR 29 3.024 -1.218 7.349 242 HD1 TYR 29 2HD TYR 29 4.551 1.005 7.299 243 HD2 TYR 29 1HD TYR 29 4.378 -1.802 10.491 244 HE1 TYR 29 2HE TYR 29 6.778 1.730 8.048 245 HE2 TYR 29 1HE TYR 29 6.604 -1.085 11.250 246 HH TYR 29 HH TYR 29 7.998 1.195 10.975 247 H PHE 30 H PHE 30 0.733 -0.516 6.315 248 HA PHE 30 HA PHE 30 1.968 1.256 4.499 249 HB2 PHE 30 2HB PHE 30 -0.334 -0.631 4.406 250 HB3 PHE 30 1HB PHE 30 -0.261 0.607 3.156 251 HD1 PHE 30 1HD PHE 30 2.887 0.595 3.123 252 HD2 PHE 30 2HD PHE 30 -0.094 -2.432 2.854 253 HE1 PHE 30 1HE PHE 30 4.437 -0.812 1.838 254 HE2 PHE 30 2HE PHE 30 1.454 -3.843 1.567 255 HZ PHE 30 HZ PHE 30 3.722 -3.034 1.058 256 H LYS 31 H LYS 31 -1.070 1.379 6.279 257 HA LYS 31 HA LYS 31 -2.099 3.696 5.030 258 HB2 LYS 31 2HB LYS 31 -2.861 1.927 7.151 259 HB3 LYS 31 1HB LYS 31 -3.038 3.586 7.707 260 HG2 LYS 31 2HG LYS 31 -4.095 3.347 5.059 261 HG3 LYS 31 1HG LYS 31 -4.793 2.101 6.095 262 HD2 LYS 31 2HD LYS 31 -5.398 3.832 7.736 263 HD3 LYS 31 1HD LYS 31 -4.737 5.066 6.660 264 HE2 LYS 31 2HE LYS 31 -6.486 3.602 5.066 265 HE3 LYS 31 1HE LYS 31 -7.319 3.758 6.613 266 HZ1 LYS 31 3HZ LYS 31 -7.542 5.596 4.807 267 HZ2 LYS 31 1HZ LYS 31 -6.062 6.131 5.428 268 HZ3 LYS 31 2HZ LYS 31 -7.414 6.024 6.438 269 H LEU 32 H LEU 32 -0.020 3.191 7.828 270 HA LEU 32 HA LEU 32 -0.043 5.813 8.828 271 HB2 LEU 32 2HB LEU 32 0.889 3.718 9.924 272 HB3 LEU 32 1HB LEU 32 2.314 3.938 8.921 273 HG LEU 32 HG LEU 32 2.297 6.349 10.006 274 HD11 LEU 32 1HD1 LEU 32 0.109 5.436 11.249 275 HD12 LEU 32 2HD1 LEU 32 1.198 6.627 11.953 276 HD13 LEU 32 3HD1 LEU 32 1.338 4.927 12.403 277 HD21 LEU 32 3HD2 LEU 32 3.212 4.130 11.780 278 HD22 LEU 32 1HD2 LEU 32 4.018 5.642 11.364 279 HD23 LEU 32 2HD2 LEU 32 3.939 4.336 10.191 280 H ILE 33 H ILE 33 2.514 4.254 6.884 281 HA ILE 33 HA ILE 33 3.987 6.546 6.335 282 HB ILE 33 HB ILE 33 4.809 4.280 5.874 283 HG12 ILE 33 2HG1 ILE 33 5.845 4.759 3.645 284 HG13 ILE 33 1HG1 ILE 33 4.754 6.132 3.482 285 HG21 ILE 33 1HG2 ILE 33 3.090 4.266 3.408 286 HG22 ILE 33 2HG2 ILE 33 2.600 3.497 4.918 287 HG23 ILE 33 3HG2 ILE 33 4.052 2.949 4.080 288 HD11 ILE 33 3HD1 ILE 33 6.011 6.414 5.974 289 HD12 ILE 33 1HD1 ILE 33 6.254 7.378 4.518 290 HD13 ILE 33 2HD1 ILE 33 7.268 5.967 4.821 291 H ALA 34 H ALA 34 1.205 5.193 4.630 292 HA ALA 34 HA ALA 34 1.295 6.973 2.422 293 HB1 ALA 34 1HB ALA 34 0.097 4.952 2.136 294 HB2 ALA 34 2HB ALA 34 -1.106 6.242 2.117 295 HB3 ALA 34 3HB ALA 34 -0.895 5.253 3.562 296 H ASN 35 H ASN 35 -0.568 6.965 5.447 297 HA ASN 35 HA ASN 35 -2.019 9.325 4.923 298 HB2 ASN 35 2HB ASN 35 -2.445 7.520 6.712 299 HB3 ASN 35 1HB ASN 35 -1.275 8.402 7.689 300 HD21 ASN 35 1HD2 ASN 35 -4.485 8.136 6.797 301 HD22 ASN 35 2HD2 ASN 35 -5.061 9.628 7.449 302 H ALA 36 H ALA 36 1.179 8.750 6.182 303 HA ALA 36 HA ALA 36 1.511 11.471 7.114 304 HB1 ALA 36 1HB ALA 36 2.630 9.165 7.914 305 HB2 ALA 36 2HB ALA 36 3.370 10.746 8.170 306 HB3 ALA 36 3HB ALA 36 3.881 9.741 6.813 307 H LYS 37 H LYS 37 2.241 9.581 4.280 308 HA LYS 37 HA LYS 37 4.123 11.440 3.178 309 HB2 LYS 37 2HB LYS 37 2.785 8.945 2.267 310 HB3 LYS 37 1HB LYS 37 3.409 10.026 1.028 311 HG2 LYS 37 2HG LYS 37 5.495 9.869 2.808 312 HG3 LYS 37 1HG LYS 37 4.822 8.238 2.834 313 HD2 LYS 37 2HD LYS 37 6.221 7.993 1.060 314 HD3 LYS 37 1HD LYS 37 4.822 8.635 0.198 315 HE2 LYS 37 2HE LYS 37 6.676 10.637 1.315 316 HE3 LYS 37 1HE LYS 37 7.313 9.652 -0.002 317 HZ1 LYS 37 3HZ LYS 37 4.943 10.308 -0.996 318 HZ2 LYS 37 1HZ LYS 37 6.334 11.239 -1.240 319 HZ3 LYS 37 2HZ LYS 37 5.224 11.673 -0.039 320 H THR 38 H THR 38 1.124 10.365 1.617 321 HA THR 38 HA THR 38 0.158 13.082 1.398 322 HB THR 38 HB THR 38 -0.073 12.364 -1.232 323 HG1 THR 38 1HG THR 38 2.059 11.686 -1.813 324 HG21 THR 38 3HG2 THR 38 1.798 14.113 0.244 325 HG22 THR 38 1HG2 THR 38 0.628 14.500 -1.016 326 HG23 THR 38 2HG2 THR 38 2.170 13.751 -1.442 327 H VAL 39 H VAL 39 -1.937 12.973 1.820 328 HA VAL 39 HA VAL 39 -3.582 10.950 0.537 329 HB VAL 39 HB VAL 39 -4.728 10.503 2.791 330 HG11 VAL 39 1HG1 VAL 39 -3.550 8.765 1.645 331 HG12 VAL 39 2HG1 VAL 39 -3.087 8.707 3.346 332 HG13 VAL 39 3HG1 VAL 39 -1.992 9.411 2.158 333 HG21 VAL 39 3HG2 VAL 39 -3.255 12.372 3.849 334 HG22 VAL 39 1HG2 VAL 39 -2.053 11.095 3.989 335 HG23 VAL 39 2HG2 VAL 39 -3.621 10.923 4.777 336 H GLU 40 H GLU 40 -4.883 12.341 -0.504 337 HA GLU 40 HA GLU 40 -6.752 13.891 1.049 338 HB2 GLU 40 2HB GLU 40 -4.631 15.327 0.672 339 HB3 GLU 40 1HB GLU 40 -5.188 15.428 -0.999 340 HG2 GLU 40 2HG GLU 40 -7.448 16.080 0.374 341 HG3 GLU 40 1HG GLU 40 -6.188 16.748 1.410 342 H GLY 41 H GLY 41 -6.691 11.679 -0.934 343 HA2 GLY 41 2HA GLY 41 -8.600 12.885 -2.842 344 HA3 GLY 41 1HA GLY 41 -7.355 11.765 -3.397 345 H VAL 42 H VAL 42 -8.263 9.887 -3.899 346 HA VAL 42 HA VAL 42 -10.437 8.875 -2.195 347 HB VAL 42 HB VAL 42 -11.042 9.196 -4.557 348 HG11 VAL 42 1HG1 VAL 42 -8.780 8.796 -5.487 349 HG12 VAL 42 2HG1 VAL 42 -10.051 7.899 -6.318 350 HG13 VAL 42 3HG1 VAL 42 -8.996 7.075 -5.170 351 HG21 VAL 42 3HG2 VAL 42 -11.657 7.094 -2.980 352 HG22 VAL 42 1HG2 VAL 42 -11.011 6.263 -4.396 353 HG23 VAL 42 2HG2 VAL 42 -12.367 7.378 -4.570 354 H TRP 43 H TRP 43 -10.396 6.771 -1.428 355 HA TRP 43 HA TRP 43 -7.751 5.486 -1.496 356 HB2 TRP 43 2HB TRP 43 -9.921 5.621 0.563 357 HB3 TRP 43 1HB TRP 43 -8.837 4.227 0.549 358 HD1 TRP 43 HD TRP 43 -8.504 8.103 0.625 359 HE1 TRP 43 1HE TRP 43 -6.486 8.687 2.111 360 HE3 TRP 43 3HE TRP 43 -6.912 3.372 1.735 361 HZ2 TRP 43 2HZ TRP 43 -4.485 7.325 3.561 362 HZ3 TRP 43 3HZ TRP 43 -4.937 3.100 3.179 363 HH2 TRP 43 HH TRP 43 -3.749 5.038 4.072 364 H THR 44 H THR 44 -7.528 3.617 -2.535 365 HA THR 44 HA THR 44 -9.954 2.054 -3.137 366 HB THR 44 HB THR 44 -7.512 1.838 -4.842 367 HG1 THR 44 1HG THR 44 -8.029 3.635 -5.974 368 HG21 THR 44 3HG2 THR 44 -9.686 1.989 -6.477 369 HG22 THR 44 1HG2 THR 44 -10.340 1.175 -5.057 370 HG23 THR 44 2HG2 THR 44 -8.942 0.500 -5.896 371 H TYR 45 H TYR 45 -9.672 -0.261 -3.310 372 HA TYR 45 HA TYR 45 -7.249 -1.392 -2.168 373 HB2 TYR 45 2HB TYR 45 -8.556 -0.899 -0.178 374 HB3 TYR 45 1HB TYR 45 -9.961 -1.716 -0.865 375 HD1 TYR 45 2HD TYR 45 -6.396 -2.402 0.027 376 HD2 TYR 45 1HD TYR 45 -10.357 -3.911 -0.263 377 HE1 TYR 45 2HE TYR 45 -5.658 -4.514 1.047 378 HE2 TYR 45 1HE TYR 45 -9.636 -6.030 0.754 379 HH TYR 45 HH TYR 45 -7.503 -6.626 2.440 380 H LYS 46 H LYS 46 -7.113 -3.696 -2.399 381 HA LYS 46 HA LYS 46 -9.082 -4.872 -4.235 382 HB2 LYS 46 2HB LYS 46 -6.456 -4.114 -4.936 383 HB3 LYS 46 1HB LYS 46 -6.440 -5.874 -4.805 384 HG2 LYS 46 2HG LYS 46 -7.231 -5.916 -6.876 385 HG3 LYS 46 1HG LYS 46 -8.759 -5.334 -6.215 386 HD2 LYS 46 2HD LYS 46 -8.298 -3.807 -7.909 387 HD3 LYS 46 1HD LYS 46 -7.713 -2.988 -6.459 388 HE2 LYS 46 2HE LYS 46 -5.983 -2.675 -7.980 389 HE3 LYS 46 1HE LYS 46 -5.443 -4.061 -7.033 390 HZ1 LYS 46 3HZ LYS 46 -6.998 -4.635 -9.430 391 HZ2 LYS 46 1HZ LYS 46 -5.670 -5.457 -8.777 392 HZ3 LYS 46 2HZ LYS 46 -5.432 -4.042 -9.671 393 H ASP 47 H ASP 47 -9.864 -6.677 -3.404 394 HA ASP 47 HA ASP 47 -8.410 -8.050 -1.287 395 HB2 ASP 47 2HB ASP 47 -10.996 -7.394 -1.396 396 HB3 ASP 47 1HB ASP 47 -11.099 -8.978 -2.165 397 H GLU 48 H GLU 48 -7.880 -8.221 -4.314 398 HA GLU 48 HA GLU 48 -8.288 -11.081 -4.738 399 HB2 GLU 48 2HB GLU 48 -7.952 -8.752 -6.455 400 HB3 GLU 48 1HB GLU 48 -6.918 -10.089 -6.941 401 HG2 GLU 48 2HG GLU 48 -8.731 -11.505 -7.331 402 HG3 GLU 48 1HG GLU 48 -9.840 -10.482 -6.418 403 H ILE 49 H ILE 49 -5.795 -8.750 -4.068 404 HA ILE 49 HA ILE 49 -3.899 -10.937 -3.681 405 HB ILE 49 HB ILE 49 -2.086 -9.469 -4.703 406 HG12 ILE 49 2HG1 ILE 49 -3.631 -7.452 -4.835 407 HG13 ILE 49 1HG1 ILE 49 -2.684 -7.796 -6.278 408 HG21 ILE 49 1HG2 ILE 49 -2.638 -11.474 -5.798 409 HG22 ILE 49 2HG2 ILE 49 -2.695 -10.230 -7.046 410 HG23 ILE 49 3HG2 ILE 49 -4.191 -10.845 -6.344 411 HD11 ILE 49 3HD1 ILE 49 -4.528 -7.880 -7.488 412 HD12 ILE 49 1HD1 ILE 49 -5.467 -7.472 -6.053 413 HD13 ILE 49 2HD1 ILE 49 -5.175 -9.163 -6.465 414 H LYS 50 H LYS 50 -5.486 -8.836 -2.091 415 HA LYS 50 HA LYS 50 -5.204 -7.510 -0.264 416 HB2 LYS 50 2HB LYS 50 -3.023 -9.528 -0.108 417 HB3 LYS 50 1HB LYS 50 -2.951 -8.170 1.006 418 HG2 LYS 50 2HG LYS 50 -4.358 -9.236 2.337 419 HG3 LYS 50 1HG LYS 50 -5.596 -9.110 1.086 420 HD2 LYS 50 2HD LYS 50 -3.629 -11.258 0.684 421 HD3 LYS 50 1HD LYS 50 -4.666 -11.451 2.097 422 HE2 LYS 50 2HE LYS 50 -6.625 -11.426 0.793 423 HE3 LYS 50 1HE LYS 50 -5.774 -10.795 -0.617 424 HZ1 LYS 50 3HZ LYS 50 -6.231 -13.122 -0.911 425 HZ2 LYS 50 1HZ LYS 50 -5.472 -13.509 0.551 426 HZ3 LYS 50 2HZ LYS 50 -4.561 -12.910 -0.743 427 H THR 51 H THR 51 -4.915 -5.641 -1.676 428 HA THR 51 HA THR 51 -2.337 -4.385 -1.177 429 HB THR 51 HB THR 51 -2.131 -5.439 -3.403 430 HG1 THR 51 1HG THR 51 -2.278 -2.608 -3.468 431 HG21 THR 51 3HG2 THR 51 -3.795 -3.548 -4.820 432 HG22 THR 51 1HG2 THR 51 -4.740 -4.648 -3.816 433 HG23 THR 51 2HG2 THR 51 -3.630 -5.292 -5.026 434 H PHE 52 H PHE 52 -2.612 -2.393 -0.451 435 HA PHE 52 HA PHE 52 -5.202 -1.075 -0.852 436 HB2 PHE 52 2HB PHE 52 -3.186 -1.098 1.285 437 HB3 PHE 52 1HB PHE 52 -3.780 0.513 0.899 438 HD1 PHE 52 1HD PHE 52 -6.531 0.309 0.405 439 HD2 PHE 52 2HD PHE 52 -4.194 -1.963 3.141 440 HE1 PHE 52 1HE PHE 52 -8.536 -0.104 1.770 441 HE2 PHE 52 2HE PHE 52 -6.196 -2.382 4.509 442 HZ PHE 52 HZ PHE 52 -8.370 -1.452 3.824 443 H THR 53 H THR 53 -5.317 1.091 -1.629 444 HA THR 53 HA THR 53 -2.842 2.252 -2.656 445 HB THR 53 HB THR 53 -4.210 2.705 -4.846 446 HG1 THR 53 1HG THR 53 -5.403 0.314 -3.895 447 HG21 THR 53 3HG2 THR 53 -2.139 1.228 -4.525 448 HG22 THR 53 1HG2 THR 53 -3.162 0.953 -5.935 449 HG23 THR 53 2HG2 THR 53 -3.279 -0.117 -4.538 450 H VAL 54 H VAL 54 -2.833 4.442 -2.795 451 HA VAL 54 HA VAL 54 -5.328 5.832 -2.061 452 HB VAL 54 HB VAL 54 -2.536 6.680 -1.273 453 HG11 VAL 54 1HG1 VAL 54 -4.886 7.722 0.152 454 HG12 VAL 54 2HG1 VAL 54 -4.737 8.241 -1.527 455 HG13 VAL 54 3HG1 VAL 54 -3.426 8.549 -0.388 456 HG21 VAL 54 3HG2 VAL 54 -2.756 4.938 0.160 457 HG22 VAL 54 1HG2 VAL 54 -4.516 4.927 0.053 458 HG23 VAL 54 2HG2 VAL 54 -3.700 6.118 1.068 459 H THR 55 H THR 55 -5.952 6.584 -4.010 460 HA THR 55 HA THR 55 -4.017 7.899 -5.752 461 HB THR 55 HB THR 55 -6.312 8.067 -7.139 462 HG1 THR 55 1HG THR 55 -7.509 6.163 -6.722 463 HG21 THR 55 3HG2 THR 55 -5.738 5.510 -7.746 464 HG22 THR 55 1HG2 THR 55 -4.234 6.003 -6.967 465 HG23 THR 55 2HG2 THR 55 -4.841 6.901 -8.359 466 H GLU 56 H GLU 56 -4.623 9.963 -6.771 467 HA GLU 56 HA GLU 56 -5.035 12.194 -6.575 468 HB2 GLU 56 2HB GLU 56 -7.323 11.401 -6.985 469 HB3 GLU 56 1HB GLU 56 -7.562 11.185 -5.257 470 HG2 GLU 56 2HG GLU 56 -7.748 13.429 -4.861 471 HG3 GLU 56 1HG GLU 56 -6.751 13.868 -6.247 Start of MODEL 16 1 H1 THR 1 1HT THR 1 0.797 -14.682 3.705 2 H2 THR 1 2HT THR 1 0.756 -13.146 4.467 3 H3 THR 1 3HT THR 1 2.142 -13.629 3.580 4 HA THR 1 HA THR 1 0.616 -13.812 1.620 5 HB THR 1 HB THR 1 -1.402 -12.451 1.757 6 HG1 THR 1 1HG THR 1 -2.030 -11.541 3.714 7 HG21 THR 1 3HG2 THR 1 -1.252 -14.450 3.999 8 HG22 THR 1 1HG2 THR 1 -1.761 -14.749 2.338 9 HG23 THR 1 2HG2 THR 1 -2.740 -13.725 3.389 10 H THR 2 H THR 2 1.158 -12.314 0.099 11 HA THR 2 HA THR 2 2.964 -10.222 0.908 12 HB THR 2 HB THR 2 1.938 -10.739 -1.880 13 HG1 THR 2 1HG THR 2 2.726 -12.681 -1.338 14 HG21 THR 2 3HG2 THR 2 3.605 -9.475 -2.649 15 HG22 THR 2 1HG2 THR 2 4.749 -10.078 -1.450 16 HG23 THR 2 2HG2 THR 2 3.620 -8.793 -1.022 17 H TYR 3 H TYR 3 2.523 -8.121 1.160 18 HA TYR 3 HA TYR 3 -0.119 -7.159 0.270 19 HB2 TYR 3 2HB TYR 3 1.116 -7.087 2.853 20 HB3 TYR 3 1HB TYR 3 0.925 -5.434 2.277 21 HD1 TYR 3 2HD TYR 3 -1.388 -4.702 1.499 22 HD2 TYR 3 1HD TYR 3 -0.723 -8.272 3.725 23 HE1 TYR 3 2HE TYR 3 -3.764 -4.745 2.131 24 HE2 TYR 3 1HE TYR 3 -3.097 -8.324 4.354 25 HH TYR 3 HH TYR 3 -5.116 -5.780 4.147 26 H LYS 4 H LYS 4 -0.058 -5.713 -1.314 27 HA LYS 4 HA LYS 4 2.423 -4.183 -1.720 28 HB2 LYS 4 2HB LYS 4 1.186 -5.784 -3.501 29 HB3 LYS 4 1HB LYS 4 0.381 -4.263 -3.863 30 HG2 LYS 4 2HG LYS 4 2.890 -3.385 -3.849 31 HG3 LYS 4 1HG LYS 4 3.197 -5.068 -4.278 32 HD2 LYS 4 2HD LYS 4 0.981 -3.998 -5.791 33 HD3 LYS 4 1HD LYS 4 2.424 -3.002 -5.990 34 HE2 LYS 4 2HE LYS 4 3.706 -5.019 -6.579 35 HE3 LYS 4 1HE LYS 4 2.236 -5.981 -6.429 36 HZ1 LYS 4 3HZ LYS 4 2.086 -3.680 -8.200 37 HZ2 LYS 4 1HZ LYS 4 1.441 -5.233 -8.384 38 HZ3 LYS 4 2HZ LYS 4 3.073 -4.951 -8.722 39 H LEU 5 H LEU 5 2.206 -1.990 -2.579 40 HA LEU 5 HA LEU 5 -0.297 -0.640 -1.876 41 HB2 LEU 5 2HB LEU 5 1.998 -0.569 -0.271 42 HB3 LEU 5 1HB LEU 5 1.995 0.959 -1.133 43 HG LEU 5 HG LEU 5 -0.266 -0.091 0.573 44 HD11 LEU 5 1HD1 LEU 5 1.829 0.618 1.770 45 HD12 LEU 5 2HD1 LEU 5 0.372 1.515 2.196 46 HD13 LEU 5 3HD1 LEU 5 1.566 2.233 1.115 47 HD21 LEU 5 3HD2 LEU 5 -0.355 1.749 -1.515 48 HD22 LEU 5 1HD2 LEU 5 -0.299 2.730 -0.051 49 HD23 LEU 5 2HD2 LEU 5 -1.564 1.517 -0.251 50 H ILE 6 H ILE 6 -0.834 1.002 -3.240 51 HA ILE 6 HA ILE 6 1.229 2.114 -4.968 52 HB ILE 6 HB ILE 6 -1.367 1.340 -6.245 53 HG12 ILE 6 2HG1 ILE 6 0.156 -0.597 -7.200 54 HG13 ILE 6 1HG1 ILE 6 0.999 -0.398 -5.667 55 HG21 ILE 6 1HG2 ILE 6 -0.084 1.505 -8.286 56 HG22 ILE 6 2HG2 ILE 6 1.392 1.783 -7.364 57 HG23 ILE 6 3HG2 ILE 6 0.098 2.981 -7.339 58 HD11 ILE 6 3HD1 ILE 6 -1.836 -1.239 -6.145 59 HD12 ILE 6 1HD1 ILE 6 -1.276 -0.678 -4.569 60 HD13 ILE 6 2HD1 ILE 6 -0.550 -2.106 -5.305 61 H LEU 7 H LEU 7 1.163 4.228 -4.563 62 HA LEU 7 HA LEU 7 -1.442 5.470 -4.058 63 HB2 LEU 7 2HB LEU 7 1.319 6.496 -3.452 64 HB3 LEU 7 1HB LEU 7 -0.179 7.334 -3.077 65 HG LEU 7 HG LEU 7 -0.697 5.090 -1.762 66 HD11 LEU 7 1HD1 LEU 7 2.238 5.209 -1.275 67 HD12 LEU 7 2HD1 LEU 7 1.631 4.266 -2.635 68 HD13 LEU 7 3HD1 LEU 7 1.100 3.891 -0.995 69 HD21 LEU 7 3HD2 LEU 7 -0.793 6.917 -0.426 70 HD22 LEU 7 1HD2 LEU 7 0.732 7.571 -1.022 71 HD23 LEU 7 2HD2 LEU 7 0.736 6.263 0.159 72 H ASN 8 H ASN 8 -2.237 7.115 -5.257 73 HA ASN 8 HA ASN 8 -0.612 7.955 -7.571 74 HB2 ASN 8 2HB ASN 8 -3.627 7.875 -7.552 75 HB3 ASN 8 1HB ASN 8 -2.549 8.019 -8.939 76 HD21 ASN 8 1HD2 ASN 8 -3.371 5.828 -6.283 77 HD22 ASN 8 2HD2 ASN 8 -3.137 4.371 -7.182 78 H LEU 9 H LEU 9 0.002 9.993 -7.412 79 HA LEU 9 HA LEU 9 -1.924 12.011 -6.555 80 HB2 LEU 9 2HB LEU 9 0.053 13.070 -5.228 81 HB3 LEU 9 1HB LEU 9 -0.935 11.815 -4.485 82 HG LEU 9 HG LEU 9 1.317 10.646 -5.883 83 HD11 LEU 9 1HD1 LEU 9 1.903 12.782 -3.846 84 HD12 LEU 9 2HD1 LEU 9 2.527 12.652 -5.491 85 HD13 LEU 9 3HD1 LEU 9 3.034 11.491 -4.257 86 HD21 LEU 9 3HD2 LEU 9 -0.180 10.362 -3.438 87 HD22 LEU 9 1HD2 LEU 9 1.553 10.255 -3.130 88 HD23 LEU 9 2HD2 LEU 9 0.798 9.178 -4.305 89 H LYS 10 H LYS 10 -1.997 12.962 -8.541 90 HA LYS 10 HA LYS 10 -1.387 14.371 -10.218 91 HB2 LYS 10 2HB LYS 10 1.218 14.714 -8.720 92 HB3 LYS 10 1HB LYS 10 0.575 15.775 -9.969 93 HG2 LYS 10 2HG LYS 10 -1.222 16.469 -8.544 94 HG3 LYS 10 1HG LYS 10 -0.763 15.274 -7.317 95 HD2 LYS 10 2HD LYS 10 1.057 16.495 -6.627 96 HD3 LYS 10 1HD LYS 10 1.265 17.274 -8.195 97 HE2 LYS 10 2HE LYS 10 -1.135 17.847 -6.492 98 HE3 LYS 10 1HE LYS 10 0.394 18.680 -6.210 99 HZ1 LYS 10 3HZ LYS 10 0.211 19.855 -8.118 100 HZ2 LYS 10 1HZ LYS 10 -1.440 19.595 -7.856 101 HZ3 LYS 10 2HZ LYS 10 -0.596 18.623 -8.951 102 H GLN 11 H GLN 11 1.694 12.827 -9.290 103 HA GLN 11 HA GLN 11 1.694 11.204 -11.672 104 HB2 GLN 11 2HB GLN 11 3.917 12.126 -12.441 105 HB3 GLN 11 1HB GLN 11 2.525 13.175 -12.709 106 HG2 GLN 11 2HG GLN 11 3.764 14.766 -11.776 107 HG3 GLN 11 1HG GLN 11 3.394 13.981 -10.245 108 HE21 GLN 11 1HE2 GLN 11 5.790 15.444 -11.542 109 HE22 GLN 11 2HE2 GLN 11 7.132 14.442 -11.114 110 H ALA 12 H ALA 12 3.581 12.473 -8.953 111 HA ALA 12 HA ALA 12 5.434 10.347 -8.840 112 HB1 ALA 12 1HB ALA 12 5.470 11.233 -6.314 113 HB2 ALA 12 2HB ALA 12 4.668 12.590 -7.088 114 HB3 ALA 12 3HB ALA 12 6.259 12.072 -7.643 115 H LYS 13 H LYS 13 4.278 8.408 -8.987 116 HA LYS 13 HA LYS 13 2.280 7.738 -7.011 117 HB2 LYS 13 2HB LYS 13 3.297 6.601 -9.508 118 HB3 LYS 13 1HB LYS 13 2.989 5.381 -8.281 119 HG2 LYS 13 2HG LYS 13 0.754 5.663 -8.364 120 HG3 LYS 13 1HG LYS 13 0.873 7.395 -8.681 121 HD2 LYS 13 2HD LYS 13 1.923 6.371 -10.965 122 HD3 LYS 13 1HD LYS 13 0.736 5.133 -10.552 123 HE2 LYS 13 2HE LYS 13 -0.272 6.798 -11.992 124 HE3 LYS 13 1HE LYS 13 -0.993 6.874 -10.385 125 HZ1 LYS 13 3HZ LYS 13 -0.273 9.034 -11.584 126 HZ2 LYS 13 1HZ LYS 13 1.273 8.631 -11.034 127 HZ3 LYS 13 2HZ LYS 13 0.017 8.868 -9.927 128 H GLU 14 H GLU 14 2.507 6.265 -5.298 129 HA GLU 14 HA GLU 14 5.315 5.618 -4.648 130 HB2 GLU 14 2HB GLU 14 2.948 6.180 -2.873 131 HB3 GLU 14 1HB GLU 14 4.393 5.372 -2.272 132 HG2 GLU 14 2HG GLU 14 4.319 7.818 -1.845 133 HG3 GLU 14 1HG GLU 14 5.742 7.274 -2.733 134 H GLU 15 H GLU 15 5.896 3.554 -4.178 135 HA GLU 15 HA GLU 15 3.792 1.526 -4.064 136 HB2 GLU 15 2HB GLU 15 6.044 1.654 -6.040 137 HB3 GLU 15 1HB GLU 15 5.354 0.106 -5.571 138 HG2 GLU 15 2HG GLU 15 3.125 0.961 -6.271 139 HG3 GLU 15 1HG GLU 15 3.926 2.410 -6.880 140 H ALA 16 H ALA 16 4.175 -0.133 -2.710 141 HA ALA 16 HA ALA 16 6.842 -0.759 -1.793 142 HB1 ALA 16 1HB ALA 16 6.620 -0.174 0.457 143 HB2 ALA 16 2HB ALA 16 4.874 0.043 0.325 144 HB3 ALA 16 3HB ALA 16 5.968 1.218 -0.406 145 H ILE 17 H ILE 17 6.997 -2.825 -0.981 146 HA ILE 17 HA ILE 17 4.476 -4.350 -0.850 147 HB ILE 17 HB ILE 17 7.149 -5.488 -1.647 148 HG12 ILE 17 2HG1 ILE 17 5.168 -5.330 -3.769 149 HG13 ILE 17 1HG1 ILE 17 5.596 -3.732 -3.167 150 HG21 ILE 17 1HG2 ILE 17 4.434 -6.554 -1.260 151 HG22 ILE 17 2HG2 ILE 17 6.001 -7.349 -1.111 152 HG23 ILE 17 3HG2 ILE 17 5.278 -7.114 -2.702 153 HD11 ILE 17 3HD1 ILE 17 7.290 -5.757 -4.537 154 HD12 ILE 17 1HD1 ILE 17 8.037 -4.601 -3.435 155 HD13 ILE 17 2HD1 ILE 17 7.133 -4.027 -4.836 156 H LYS 18 H LYS 18 4.115 -5.609 0.878 157 HA LYS 18 HA LYS 18 6.294 -6.207 2.725 158 HB2 LYS 18 2HB LYS 18 4.738 -4.061 3.249 159 HB3 LYS 18 1HB LYS 18 3.781 -5.320 4.016 160 HG2 LYS 18 2HG LYS 18 5.244 -4.347 5.640 161 HG3 LYS 18 1HG LYS 18 5.783 -5.993 5.305 162 HD2 LYS 18 2HD LYS 18 7.229 -4.631 3.481 163 HD3 LYS 18 1HD LYS 18 7.100 -3.413 4.751 164 HE2 LYS 18 2HE LYS 18 7.952 -6.237 5.319 165 HE3 LYS 18 1HE LYS 18 9.103 -4.989 4.842 166 HZ1 LYS 18 3HZ LYS 18 7.688 -5.345 7.351 167 HZ2 LYS 18 1HZ LYS 18 7.811 -3.747 6.806 168 HZ3 LYS 18 2HZ LYS 18 9.208 -4.668 7.051 169 H GLU 19 H GLU 19 6.233 -8.364 2.740 170 HA GLU 19 HA GLU 19 3.673 -9.744 2.654 171 HB2 GLU 19 2HB GLU 19 5.619 -10.372 1.143 172 HB3 GLU 19 1HB GLU 19 6.420 -10.988 2.582 173 HG2 GLU 19 2HG GLU 19 4.732 -12.634 2.911 174 HG3 GLU 19 1HG GLU 19 3.718 -11.924 1.656 175 H LEU 20 H LEU 20 2.780 -9.879 4.572 176 HA LEU 20 HA LEU 20 4.394 -10.915 6.807 177 HB2 LEU 20 2HB LEU 20 2.097 -8.959 6.939 178 HB3 LEU 20 1HB LEU 20 2.900 -9.662 8.331 179 HG LEU 20 HG LEU 20 5.037 -8.588 7.119 180 HD11 LEU 20 1HD1 LEU 20 4.027 -6.202 6.518 181 HD12 LEU 20 2HD1 LEU 20 2.664 -7.203 6.014 182 HD13 LEU 20 3HD1 LEU 20 4.258 -7.465 5.308 183 HD21 LEU 20 3HD2 LEU 20 4.515 -6.517 8.562 184 HD22 LEU 20 1HD2 LEU 20 4.663 -8.083 9.357 185 HD23 LEU 20 2HD2 LEU 20 3.067 -7.403 9.039 186 H VAL 21 H VAL 21 2.582 -11.584 8.618 187 HA VAL 21 HA VAL 21 0.938 -13.590 7.235 188 HB VAL 21 HB VAL 21 2.672 -14.463 8.771 189 HG11 VAL 21 1HG1 VAL 21 1.175 -13.705 11.185 190 HG12 VAL 21 2HG1 VAL 21 2.049 -12.392 10.395 191 HG13 VAL 21 3HG1 VAL 21 2.913 -13.838 10.917 192 HG21 VAL 21 3HG2 VAL 21 0.110 -15.131 10.115 193 HG22 VAL 21 1HG2 VAL 21 1.369 -16.192 9.482 194 HG23 VAL 21 2HG2 VAL 21 0.229 -15.422 8.380 195 H ASP 22 H ASP 22 0.262 -10.700 7.943 196 HA ASP 22 HA ASP 22 -2.408 -11.246 8.820 197 HB2 ASP 22 2HB ASP 22 -0.582 -10.731 10.835 198 HB3 ASP 22 1HB ASP 22 -1.322 -9.158 10.551 199 H ALA 23 H ALA 23 -3.760 -9.898 7.890 200 HA ALA 23 HA ALA 23 -2.779 -7.798 6.208 201 HB1 ALA 23 1HB ALA 23 -5.568 -8.752 6.820 202 HB2 ALA 23 2HB ALA 23 -4.592 -9.122 5.399 203 HB3 ALA 23 3HB ALA 23 -5.193 -7.485 5.653 204 H GLY 24 H GLY 24 -3.302 -7.819 9.452 205 HA2 GLY 24 2HA GLY 24 -4.588 -5.221 9.653 206 HA3 GLY 24 1HA GLY 24 -4.065 -6.234 10.992 207 H THR 25 H THR 25 -1.580 -6.559 10.992 208 HA THR 25 HA THR 25 -0.386 -4.084 11.526 209 HB THR 25 HB THR 25 1.788 -5.484 11.410 210 HG1 THR 25 1HG THR 25 0.702 -7.112 10.057 211 HG21 THR 25 3HG2 THR 25 -0.112 -5.241 13.388 212 HG22 THR 25 1HG2 THR 25 1.525 -5.876 13.565 213 HG23 THR 25 2HG2 THR 25 0.178 -6.979 13.280 214 H ALA 26 H ALA 26 -0.536 -6.012 8.613 215 HA ALA 26 HA ALA 26 1.493 -4.548 7.219 216 HB1 ALA 26 1HB ALA 26 -0.613 -6.251 5.924 217 HB2 ALA 26 2HB ALA 26 0.753 -6.958 6.788 218 HB3 ALA 26 3HB ALA 26 1.035 -5.929 5.384 219 H GLU 27 H GLU 27 -2.032 -4.430 7.484 220 HA GLU 27 HA GLU 27 -2.265 -2.479 5.365 221 HB2 GLU 27 2HB GLU 27 -4.589 -2.439 5.796 222 HB3 GLU 27 1HB GLU 27 -4.089 -4.107 6.016 223 HG2 GLU 27 2HG GLU 27 -4.141 -3.850 8.410 224 HG3 GLU 27 1HG GLU 27 -4.493 -2.133 8.251 225 H LYS 28 H LYS 28 -2.211 -2.427 8.889 226 HA LYS 28 HA LYS 28 -2.843 0.290 9.238 227 HB2 LYS 28 2HB LYS 28 -2.333 -1.821 10.910 228 HB3 LYS 28 1HB LYS 28 -0.910 -0.819 11.155 229 HG2 LYS 28 2HG LYS 28 -2.373 1.092 11.672 230 HG3 LYS 28 1HG LYS 28 -3.775 0.035 11.493 231 HD2 LYS 28 2HD LYS 28 -3.439 -0.951 13.493 232 HD3 LYS 28 1HD LYS 28 -1.684 -0.955 13.308 233 HE2 LYS 28 2HE LYS 28 -2.174 1.701 13.585 234 HE3 LYS 28 1HE LYS 28 -3.453 1.020 14.589 235 HZ1 LYS 28 3HZ LYS 28 -1.753 -0.244 15.787 236 HZ2 LYS 28 1HZ LYS 28 -1.481 1.423 15.894 237 HZ3 LYS 28 2HZ LYS 28 -0.544 0.475 14.847 238 H TYR 29 H TYR 29 0.336 -1.323 9.210 239 HA TYR 29 HA TYR 29 1.923 0.957 9.357 240 HB2 TYR 29 2HB TYR 29 2.416 -1.716 9.225 241 HB3 TYR 29 1HB TYR 29 2.952 -1.205 7.621 242 HD1 TYR 29 2HD TYR 29 4.507 0.952 7.644 243 HD2 TYR 29 1HD TYR 29 3.946 -1.669 10.948 244 HE1 TYR 29 2HE TYR 29 6.642 1.710 8.601 245 HE2 TYR 29 1HE TYR 29 6.079 -0.918 11.914 246 HH TYR 29 HH TYR 29 7.645 1.810 11.015 247 H PHE 30 H PHE 30 0.494 -0.636 6.546 248 HA PHE 30 HA PHE 30 1.773 0.946 4.583 249 HB2 PHE 30 2HB PHE 30 -0.486 -0.970 4.671 250 HB3 PHE 30 1HB PHE 30 -0.502 0.180 3.336 251 HD1 PHE 30 1HD PHE 30 2.766 -0.719 4.568 252 HD2 PHE 30 2HD PHE 30 -0.337 -1.848 1.881 253 HE1 PHE 30 1HE PHE 30 4.354 -2.128 3.331 254 HE2 PHE 30 2HE PHE 30 1.248 -3.263 0.644 255 HZ PHE 30 HZ PHE 30 3.596 -3.405 1.367 256 H LYS 31 H LYS 31 -1.173 1.339 6.448 257 HA LYS 31 HA LYS 31 -2.155 3.560 4.937 258 HB2 LYS 31 2HB LYS 31 -3.278 1.881 6.747 259 HB3 LYS 31 1HB LYS 31 -2.994 3.291 7.758 260 HG2 LYS 31 2HG LYS 31 -4.213 4.662 6.075 261 HG3 LYS 31 1HG LYS 31 -4.613 3.168 5.226 262 HD2 LYS 31 2HD LYS 31 -5.379 2.550 7.755 263 HD3 LYS 31 1HD LYS 31 -5.710 4.283 7.717 264 HE2 LYS 31 2HE LYS 31 -7.665 3.672 6.799 265 HE3 LYS 31 1HE LYS 31 -6.722 3.491 5.321 266 HZ1 LYS 31 3HZ LYS 31 -7.557 1.377 7.218 267 HZ2 LYS 31 1HZ LYS 31 -6.348 1.125 6.061 268 HZ3 LYS 31 2HZ LYS 31 -7.921 1.508 5.571 269 H LEU 32 H LEU 32 0.014 3.151 7.626 270 HA LEU 32 HA LEU 32 -0.045 5.824 8.575 271 HB2 LEU 32 2HB LEU 32 0.920 3.593 9.612 272 HB3 LEU 32 1HB LEU 32 2.399 4.131 8.830 273 HG LEU 32 HG LEU 32 1.608 6.397 10.146 274 HD11 LEU 32 1HD1 LEU 32 1.331 5.256 12.533 275 HD12 LEU 32 2HD1 LEU 32 0.527 4.026 11.555 276 HD13 LEU 32 3HD1 LEU 32 -0.052 5.692 11.528 277 HD21 LEU 32 3HD2 LEU 32 3.504 4.179 10.799 278 HD22 LEU 32 1HD2 LEU 32 3.320 5.543 11.894 279 HD23 LEU 32 2HD2 LEU 32 3.844 5.817 10.242 280 H ILE 33 H ILE 33 2.431 4.106 6.662 281 HA ILE 33 HA ILE 33 4.013 6.319 6.071 282 HB ILE 33 HB ILE 33 4.736 4.006 5.675 283 HG12 ILE 33 2HG1 ILE 33 5.785 4.385 3.423 284 HG13 ILE 33 1HG1 ILE 33 4.776 5.818 3.253 285 HG21 ILE 33 1HG2 ILE 33 2.493 3.307 4.722 286 HG22 ILE 33 2HG2 ILE 33 3.926 2.661 3.922 287 HG23 ILE 33 3HG2 ILE 33 3.040 4.000 3.195 288 HD11 ILE 33 3HD1 ILE 33 5.974 6.202 5.689 289 HD12 ILE 33 1HD1 ILE 33 6.482 6.916 4.158 290 HD13 ILE 33 2HD1 ILE 33 7.242 5.433 4.735 291 H ALA 34 H ALA 34 1.276 4.955 4.268 292 HA ALA 34 HA ALA 34 1.401 6.592 2.018 293 HB1 ALA 34 1HB ALA 34 -0.114 4.950 1.661 294 HB2 ALA 34 2HB ALA 34 -1.242 6.197 2.193 295 HB3 ALA 34 3HB ALA 34 -0.689 4.966 3.327 296 H ASN 35 H ASN 35 -0.207 7.123 5.130 297 HA ASN 35 HA ASN 35 -1.516 9.514 4.471 298 HB2 ASN 35 2HB ASN 35 -1.564 7.934 6.630 299 HB3 ASN 35 1HB ASN 35 -0.479 9.181 7.238 300 HD21 ASN 35 1HD2 ASN 35 -1.322 11.477 6.613 301 HD22 ASN 35 2HD2 ASN 35 -2.982 11.758 7.004 302 H ALA 36 H ALA 36 1.561 9.061 6.220 303 HA ALA 36 HA ALA 36 2.247 11.773 6.353 304 HB1 ALA 36 1HB ALA 36 4.473 9.855 6.117 305 HB2 ALA 36 2HB ALA 36 3.298 9.522 7.389 306 HB3 ALA 36 3HB ALA 36 4.143 11.069 7.352 307 H LYS 37 H LYS 37 2.596 9.428 3.794 308 HA LYS 37 HA LYS 37 4.483 10.923 2.258 309 HB2 LYS 37 2HB LYS 37 3.014 8.416 2.001 310 HB3 LYS 37 1HB LYS 37 3.144 9.275 0.472 311 HG2 LYS 37 2HG LYS 37 5.407 8.412 2.259 312 HG3 LYS 37 1HG LYS 37 4.979 7.746 0.681 313 HD2 LYS 37 2HD LYS 37 5.272 10.449 0.187 314 HD3 LYS 37 1HD LYS 37 6.551 10.103 1.351 315 HE2 LYS 37 2HE LYS 37 6.095 8.884 -1.356 316 HE3 LYS 37 1HE LYS 37 7.517 9.741 -0.762 317 HZ1 LYS 37 3HZ LYS 37 8.217 7.593 -0.603 318 HZ2 LYS 37 1HZ LYS 37 6.676 6.976 -0.276 319 HZ3 LYS 37 2HZ LYS 37 7.543 7.773 0.938 320 H THR 38 H THR 38 1.199 10.027 1.231 321 HA THR 38 HA THR 38 0.389 12.728 0.802 322 HB THR 38 HB THR 38 0.301 11.432 -1.803 323 HG1 THR 38 1HG THR 38 2.556 11.712 -2.195 324 HG21 THR 38 3HG2 THR 38 0.226 13.998 -0.907 325 HG22 THR 38 1HG2 THR 38 0.528 13.510 -2.575 326 HG23 THR 38 2HG2 THR 38 1.882 13.865 -1.501 327 H VAL 39 H VAL 39 -1.669 12.626 1.390 328 HA VAL 39 HA VAL 39 -3.384 10.576 0.201 329 HB VAL 39 HB VAL 39 -4.557 10.371 2.459 330 HG11 VAL 39 1HG1 VAL 39 -1.821 9.225 1.962 331 HG12 VAL 39 2HG1 VAL 39 -3.388 8.499 1.605 332 HG13 VAL 39 3HG1 VAL 39 -2.865 8.690 3.278 333 HG21 VAL 39 3HG2 VAL 39 -3.100 10.730 4.430 334 HG22 VAL 39 1HG2 VAL 39 -3.532 12.225 3.607 335 HG23 VAL 39 2HG2 VAL 39 -1.929 11.530 3.380 336 H GLU 40 H GLU 40 -4.817 11.724 -0.906 337 HA GLU 40 HA GLU 40 -6.644 13.467 0.392 338 HB2 GLU 40 2HB GLU 40 -4.344 14.671 -1.055 339 HB3 GLU 40 1HB GLU 40 -5.930 15.399 -1.319 340 HG2 GLU 40 2HG GLU 40 -5.692 15.030 1.452 341 HG3 GLU 40 1HG GLU 40 -4.144 15.674 0.904 342 H GLY 41 H GLY 41 -8.169 12.147 -0.576 343 HA2 GLY 41 2HA GLY 41 -9.437 12.874 -2.837 344 HA3 GLY 41 1HA GLY 41 -8.178 11.807 -3.458 345 H VAL 42 H VAL 42 -8.796 9.787 -3.748 346 HA VAL 42 HA VAL 42 -10.946 8.712 -2.041 347 HB VAL 42 HB VAL 42 -11.634 8.978 -4.387 348 HG11 VAL 42 1HG1 VAL 42 -10.612 7.609 -6.139 349 HG12 VAL 42 2HG1 VAL 42 -9.398 7.050 -4.989 350 HG13 VAL 42 3HG1 VAL 42 -9.457 8.745 -5.449 351 HG21 VAL 42 3HG2 VAL 42 -11.299 6.108 -3.528 352 HG22 VAL 42 1HG2 VAL 42 -12.432 6.685 -4.749 353 HG23 VAL 42 2HG2 VAL 42 -12.616 7.189 -3.070 354 H TRP 43 H TRP 43 -10.763 6.629 -1.253 355 HA TRP 43 HA TRP 43 -8.065 5.466 -1.436 356 HB2 TRP 43 2HB TRP 43 -10.053 5.666 0.781 357 HB3 TRP 43 1HB TRP 43 -8.995 4.254 0.737 358 HD1 TRP 43 HD TRP 43 -8.576 8.120 0.585 359 HE1 TRP 43 1HE TRP 43 -6.446 8.729 1.895 360 HE3 TRP 43 3HE TRP 43 -7.028 3.415 1.854 361 HZ2 TRP 43 2HZ TRP 43 -4.382 7.392 3.282 362 HZ3 TRP 43 3HZ TRP 43 -4.966 3.167 3.172 363 HH2 TRP 43 HH TRP 43 -3.671 5.116 3.871 364 H THR 44 H THR 44 -7.948 3.741 -2.698 365 HA THR 44 HA THR 44 -10.309 1.998 -2.932 366 HB THR 44 HB THR 44 -9.128 1.204 -5.054 367 HG1 THR 44 1HG THR 44 -7.564 2.557 -5.878 368 HG21 THR 44 3HG2 THR 44 -10.708 2.468 -5.950 369 HG22 THR 44 1HG2 THR 44 -9.529 3.779 -5.993 370 HG23 THR 44 2HG2 THR 44 -10.629 3.626 -4.622 371 H TYR 45 H TYR 45 -9.922 -0.309 -3.142 372 HA TYR 45 HA TYR 45 -7.361 -1.280 -2.137 373 HB2 TYR 45 2HB TYR 45 -8.705 -0.930 -0.116 374 HB3 TYR 45 1HB TYR 45 -10.005 -1.909 -0.801 375 HD1 TYR 45 2HD TYR 45 -6.408 -2.103 0.170 376 HD2 TYR 45 1HD TYR 45 -10.078 -4.191 -0.355 377 HE1 TYR 45 2HE TYR 45 -5.395 -4.117 1.152 378 HE2 TYR 45 1HE TYR 45 -9.075 -6.211 0.625 379 HH TYR 45 HH TYR 45 -5.707 -6.507 1.185 380 H LYS 46 H LYS 46 -6.938 -3.455 -2.621 381 HA LYS 46 HA LYS 46 -8.856 -4.700 -4.480 382 HB2 LYS 46 2HB LYS 46 -5.954 -4.191 -4.725 383 HB3 LYS 46 1HB LYS 46 -6.497 -5.785 -5.252 384 HG2 LYS 46 2HG LYS 46 -7.969 -3.382 -6.211 385 HG3 LYS 46 1HG LYS 46 -6.395 -3.761 -6.915 386 HD2 LYS 46 2HD LYS 46 -7.480 -6.183 -7.061 387 HD3 LYS 46 1HD LYS 46 -8.967 -5.234 -7.092 388 HE2 LYS 46 2HE LYS 46 -8.549 -4.406 -9.150 389 HE3 LYS 46 1HE LYS 46 -6.814 -4.281 -8.861 390 HZ1 LYS 46 3HZ LYS 46 -6.441 -6.332 -9.674 391 HZ2 LYS 46 1HZ LYS 46 -7.897 -6.067 -10.495 392 HZ3 LYS 46 2HZ LYS 46 -7.882 -6.976 -9.068 393 H ASP 47 H ASP 47 -9.781 -6.302 -3.374 394 HA ASP 47 HA ASP 47 -8.532 -7.719 -1.261 395 HB2 ASP 47 2HB ASP 47 -11.102 -7.384 -2.042 396 HB3 ASP 47 1HB ASP 47 -10.804 -9.020 -2.634 397 H GLU 48 H GLU 48 -8.249 -8.002 -4.626 398 HA GLU 48 HA GLU 48 -8.015 -10.732 -5.051 399 HB2 GLU 48 2HB GLU 48 -6.978 -8.296 -6.372 400 HB3 GLU 48 1HB GLU 48 -6.137 -9.794 -6.747 401 HG2 GLU 48 2HG GLU 48 -8.466 -10.747 -7.230 402 HG3 GLU 48 1HG GLU 48 -8.991 -9.064 -7.264 403 H ILE 49 H ILE 49 -5.077 -8.753 -5.072 404 HA ILE 49 HA ILE 49 -3.729 -10.902 -3.587 405 HB ILE 49 HB ILE 49 -2.343 -8.717 -5.123 406 HG12 ILE 49 2HG1 ILE 49 -3.724 -9.746 -6.771 407 HG13 ILE 49 1HG1 ILE 49 -2.126 -10.465 -6.951 408 HG21 ILE 49 1HG2 ILE 49 -0.433 -9.851 -4.741 409 HG22 ILE 49 2HG2 ILE 49 -1.215 -11.426 -4.878 410 HG23 ILE 49 3HG2 ILE 49 -1.340 -10.508 -3.378 411 HD11 ILE 49 3HD1 ILE 49 -2.820 -12.473 -5.911 412 HD12 ILE 49 1HD1 ILE 49 -4.059 -12.051 -7.093 413 HD13 ILE 49 2HD1 ILE 49 -4.338 -11.749 -5.377 414 H LYS 50 H LYS 50 -5.329 -8.839 -2.333 415 HA LYS 50 HA LYS 50 -5.267 -7.277 -0.662 416 HB2 LYS 50 2HB LYS 50 -2.731 -8.702 0.141 417 HB3 LYS 50 1HB LYS 50 -3.860 -7.854 1.188 418 HG2 LYS 50 2HG LYS 50 -4.968 -10.092 -0.383 419 HG3 LYS 50 1HG LYS 50 -3.827 -10.512 0.897 420 HD2 LYS 50 2HD LYS 50 -5.250 -9.903 2.545 421 HD3 LYS 50 1HD LYS 50 -5.899 -8.543 1.623 422 HE2 LYS 50 2HE LYS 50 -7.734 -9.845 1.496 423 HE3 LYS 50 1HE LYS 50 -6.852 -10.604 0.171 424 HZ1 LYS 50 3HZ LYS 50 -6.644 -11.560 2.966 425 HZ2 LYS 50 1HZ LYS 50 -6.180 -12.362 1.551 426 HZ3 LYS 50 2HZ LYS 50 -7.820 -12.140 1.897 427 H THR 51 H THR 51 -4.872 -5.398 -1.865 428 HA THR 51 HA THR 51 -2.239 -4.242 -1.396 429 HB THR 51 HB THR 51 -2.061 -3.428 -3.718 430 HG1 THR 51 1HG THR 51 -3.670 -3.648 -5.021 431 HG21 THR 51 3HG2 THR 51 -1.140 -5.307 -4.633 432 HG22 THR 51 1HG2 THR 51 -2.410 -6.365 -4.016 433 HG23 THR 51 2HG2 THR 51 -1.172 -5.744 -2.924 434 H PHE 52 H PHE 52 -2.479 -2.301 -0.552 435 HA PHE 52 HA PHE 52 -5.032 -0.907 -0.843 436 HB2 PHE 52 2HB PHE 52 -3.006 -1.095 1.222 437 HB3 PHE 52 1HB PHE 52 -3.362 0.587 0.845 438 HD1 PHE 52 1HD PHE 52 -6.162 0.666 0.307 439 HD2 PHE 52 2HD PHE 52 -4.063 -1.684 3.168 440 HE1 PHE 52 1HE PHE 52 -8.192 0.545 1.693 441 HE2 PHE 52 2HE PHE 52 -6.088 -1.810 4.557 442 HZ PHE 52 HZ PHE 52 -8.157 -0.694 3.820 443 H THR 53 H THR 53 -5.195 1.211 -1.637 444 HA THR 53 HA THR 53 -2.780 2.440 -2.714 445 HB THR 53 HB THR 53 -4.001 2.825 -4.908 446 HG1 THR 53 1HG THR 53 -5.584 0.681 -3.939 447 HG21 THR 53 3HG2 THR 53 -3.304 0.814 -5.897 448 HG22 THR 53 1HG2 THR 53 -3.486 -0.083 -4.388 449 HG23 THR 53 2HG2 THR 53 -2.189 1.104 -4.560 450 H VAL 54 H VAL 54 -2.865 4.646 -2.885 451 HA VAL 54 HA VAL 54 -5.387 5.927 -2.061 452 HB VAL 54 HB VAL 54 -2.631 6.904 -1.316 453 HG11 VAL 54 1HG1 VAL 54 -3.615 8.686 -0.371 454 HG12 VAL 54 2HG1 VAL 54 -4.982 7.744 0.223 455 HG13 VAL 54 3HG1 VAL 54 -4.957 8.303 -1.449 456 HG21 VAL 54 3HG2 VAL 54 -3.296 4.698 -0.271 457 HG22 VAL 54 1HG2 VAL 54 -4.600 5.576 0.532 458 HG23 VAL 54 2HG2 VAL 54 -2.919 6.004 0.851 459 H THR 55 H THR 55 -6.086 6.701 -3.972 460 HA THR 55 HA THR 55 -4.234 8.165 -5.695 461 HB THR 55 HB THR 55 -7.095 7.315 -6.183 462 HG1 THR 55 1HG THR 55 -5.812 5.520 -6.165 463 HG21 THR 55 3HG2 THR 55 -7.095 8.493 -8.038 464 HG22 THR 55 1HG2 THR 55 -5.610 7.716 -8.571 465 HG23 THR 55 2HG2 THR 55 -5.532 9.183 -7.595 466 H GLU 56 H GLU 56 -4.541 10.298 -6.280 467 HA GLU 56 HA GLU 56 -5.822 11.947 -4.324 468 HB2 GLU 56 2HB GLU 56 -4.993 13.819 -5.644 469 HB3 GLU 56 1HB GLU 56 -3.729 12.624 -5.423 470 HG2 GLU 56 2HG GLU 56 -3.622 12.124 -7.618 471 HG3 GLU 56 1HG GLU 56 -5.352 12.358 -7.867 Start of MODEL 17 1 H1 THR 1 1HT THR 1 1.898 -14.176 3.052 2 H2 THR 1 2HT THR 1 0.909 -14.284 4.450 3 H3 THR 1 3HT THR 1 2.144 -13.095 4.360 4 HA THR 1 HA THR 1 -0.082 -13.213 2.455 5 HB THR 1 HB THR 1 0.079 -11.616 5.021 6 HG1 THR 1 1HG THR 1 -1.351 -13.959 4.356 7 HG21 THR 1 3HG2 THR 1 -2.323 -11.173 4.559 8 HG22 THR 1 1HG2 THR 1 -2.087 -11.861 2.953 9 HG23 THR 1 2HG2 THR 1 -1.208 -10.408 3.427 10 H THR 2 H THR 2 1.266 -12.452 0.820 11 HA THR 2 HA THR 2 3.054 -10.267 1.164 12 HB THR 2 HB THR 2 2.686 -10.259 -1.487 13 HG1 THR 2 1HG THR 2 0.941 -11.744 -1.362 14 HG21 THR 2 3HG2 THR 2 4.807 -10.838 -0.752 15 HG22 THR 2 1HG2 THR 2 4.250 -12.281 -1.597 16 HG23 THR 2 2HG2 THR 2 4.219 -12.224 0.165 17 H TYR 3 H TYR 3 2.531 -8.212 1.441 18 HA TYR 3 HA TYR 3 -0.072 -7.264 0.463 19 HB2 TYR 3 2HB TYR 3 1.174 -7.005 2.954 20 HB3 TYR 3 1HB TYR 3 1.312 -5.414 2.213 21 HD1 TYR 3 1HD TYR 3 -0.869 -4.411 1.234 22 HD2 TYR 3 2HD TYR 3 -0.783 -7.622 4.025 23 HE1 TYR 3 1HE TYR 3 -3.199 -3.925 1.851 24 HE2 TYR 3 2HE TYR 3 -3.116 -7.142 4.647 25 HH TYR 3 HH TYR 3 -4.747 -5.464 4.554 26 H LYS 4 H LYS 4 -0.237 -5.546 -0.898 27 HA LYS 4 HA LYS 4 2.261 -4.231 -1.739 28 HB2 LYS 4 2HB LYS 4 1.379 -6.002 -3.359 29 HB3 LYS 4 1HB LYS 4 0.031 -4.914 -3.649 30 HG2 LYS 4 2HG LYS 4 1.264 -3.497 -4.889 31 HG3 LYS 4 1HG LYS 4 2.707 -3.716 -3.897 32 HD2 LYS 4 2HD LYS 4 3.050 -4.600 -6.145 33 HD3 LYS 4 1HD LYS 4 3.098 -5.893 -4.945 34 HE2 LYS 4 2HE LYS 4 0.912 -6.621 -5.520 35 HE3 LYS 4 1HE LYS 4 0.620 -5.186 -6.501 36 HZ1 LYS 4 3HZ LYS 4 2.740 -7.157 -7.134 37 HZ2 LYS 4 1HZ LYS 4 2.129 -5.932 -8.129 38 HZ3 LYS 4 2HZ LYS 4 1.169 -7.273 -7.751 39 H LEU 5 H LEU 5 2.033 -2.069 -2.519 40 HA LEU 5 HA LEU 5 -0.581 -0.829 -2.090 41 HB2 LEU 5 2HB LEU 5 1.360 -0.665 -0.172 42 HB3 LEU 5 1HB LEU 5 1.658 0.787 -1.115 43 HG LEU 5 HG LEU 5 -0.882 1.222 -0.826 44 HD11 LEU 5 1HD1 LEU 5 -1.695 -0.763 0.082 45 HD12 LEU 5 2HD1 LEU 5 -1.597 0.325 1.467 46 HD13 LEU 5 3HD1 LEU 5 -0.355 -0.902 1.218 47 HD21 LEU 5 3HD2 LEU 5 1.340 2.134 0.444 48 HD22 LEU 5 1HD2 LEU 5 0.380 1.543 1.801 49 HD23 LEU 5 2HD2 LEU 5 -0.291 2.750 0.706 50 H ILE 6 H ILE 6 -1.031 0.902 -3.362 51 HA ILE 6 HA ILE 6 1.099 2.016 -5.001 52 HB ILE 6 HB ILE 6 -1.477 1.278 -6.346 53 HG12 ILE 6 2HG1 ILE 6 0.107 -0.619 -7.319 54 HG13 ILE 6 1HG1 ILE 6 0.868 -0.466 -5.738 55 HG21 ILE 6 1HG2 ILE 6 1.282 1.682 -7.473 56 HG22 ILE 6 2HG2 ILE 6 0.078 2.962 -7.331 57 HG23 ILE 6 3HG2 ILE 6 -0.238 1.566 -8.361 58 HD11 ILE 6 3HD1 ILE 6 -2.011 -1.140 -6.290 59 HD12 ILE 6 1HD1 ILE 6 -1.320 -0.893 -4.687 60 HD13 ILE 6 2HD1 ILE 6 -0.760 -2.230 -5.691 61 H LEU 7 H LEU 7 1.025 4.085 -4.333 62 HA LEU 7 HA LEU 7 -1.591 5.361 -4.035 63 HB2 LEU 7 2HB LEU 7 1.105 6.400 -3.190 64 HB3 LEU 7 1HB LEU 7 -0.455 7.110 -2.803 65 HG LEU 7 HG LEU 7 -0.896 4.764 -1.688 66 HD11 LEU 7 1HD1 LEU 7 1.119 3.672 -2.402 67 HD12 LEU 7 2HD1 LEU 7 1.181 3.894 -0.654 68 HD13 LEU 7 3HD1 LEU 7 2.110 4.955 -1.710 69 HD21 LEU 7 3HD2 LEU 7 0.648 5.889 0.285 70 HD22 LEU 7 1HD2 LEU 7 -1.029 6.301 -0.073 71 HD23 LEU 7 2HD2 LEU 7 0.280 7.263 -0.757 72 H ASN 8 H ASN 8 -2.246 7.082 -5.228 73 HA ASN 8 HA ASN 8 -0.366 8.077 -7.266 74 HB2 ASN 8 2HB ASN 8 -2.009 6.446 -8.222 75 HB3 ASN 8 1HB ASN 8 -3.304 7.541 -7.741 76 HD21 ASN 8 1HD2 ASN 8 -3.688 9.362 -8.915 77 HD22 ASN 8 2HD2 ASN 8 -2.897 9.719 -10.408 78 H LEU 9 H LEU 9 -0.029 10.167 -6.955 79 HA LEU 9 HA LEU 9 -2.293 11.840 -6.078 80 HB2 LEU 9 2HB LEU 9 -0.583 13.294 -4.965 81 HB3 LEU 9 1HB LEU 9 -0.810 11.714 -4.224 82 HG LEU 9 HG LEU 9 1.363 11.927 -6.226 83 HD11 LEU 9 1HD1 LEU 9 1.237 13.586 -3.788 84 HD12 LEU 9 2HD1 LEU 9 2.134 13.831 -5.287 85 HD13 LEU 9 3HD1 LEU 9 2.745 12.703 -4.066 86 HD21 LEU 9 3HD2 LEU 9 0.783 10.485 -3.680 87 HD22 LEU 9 1HD2 LEU 9 2.453 10.656 -4.221 88 HD23 LEU 9 2HD2 LEU 9 1.272 9.847 -5.250 89 H LYS 10 H LYS 10 -2.895 12.719 -7.979 90 HA LYS 10 HA LYS 10 -2.870 14.122 -9.771 91 HB2 LYS 10 2HB LYS 10 -0.589 15.080 -8.142 92 HB3 LYS 10 1HB LYS 10 -0.607 15.588 -9.825 93 HG2 LYS 10 2HG LYS 10 -3.214 15.923 -8.682 94 HG3 LYS 10 1HG LYS 10 -2.004 16.718 -7.673 95 HD2 LYS 10 2HD LYS 10 -1.542 17.204 -10.495 96 HD3 LYS 10 1HD LYS 10 -3.151 17.722 -9.994 97 HE2 LYS 10 2HE LYS 10 -1.594 18.643 -7.947 98 HE3 LYS 10 1HE LYS 10 -0.522 18.831 -9.335 99 HZ1 LYS 10 3HZ LYS 10 -1.951 20.305 -10.349 100 HZ2 LYS 10 1HZ LYS 10 -2.127 20.729 -8.720 101 HZ3 LYS 10 2HZ LYS 10 -3.304 19.778 -9.479 102 H GLN 11 H GLN 11 0.630 13.561 -9.488 103 HA GLN 11 HA GLN 11 0.515 12.035 -12.001 104 HB2 GLN 11 2HB GLN 11 1.371 14.501 -12.116 105 HB3 GLN 11 1HB GLN 11 2.834 13.837 -11.387 106 HG2 GLN 11 2HG GLN 11 1.769 12.428 -13.759 107 HG3 GLN 11 1HG GLN 11 2.468 14.027 -14.021 108 HE21 GLN 11 1HE2 GLN 11 4.125 13.029 -15.243 109 HE22 GLN 11 2HE2 GLN 11 5.443 12.224 -14.462 110 H ALA 12 H ALA 12 2.443 12.818 -9.126 111 HA ALA 12 HA ALA 12 4.248 10.655 -9.422 112 HB1 ALA 12 1HB ALA 12 4.588 11.176 -6.878 113 HB2 ALA 12 2HB ALA 12 3.614 12.596 -7.251 114 HB3 ALA 12 3HB ALA 12 5.131 12.312 -8.106 115 H LYS 13 H LYS 13 4.097 8.588 -8.808 116 HA LYS 13 HA LYS 13 1.839 7.799 -7.098 117 HB2 LYS 13 2HB LYS 13 1.355 7.154 -9.392 118 HB3 LYS 13 1HB LYS 13 2.926 6.380 -9.539 119 HG2 LYS 13 2HG LYS 13 1.907 5.064 -7.406 120 HG3 LYS 13 1HG LYS 13 0.443 5.403 -8.329 121 HD2 LYS 13 2HD LYS 13 2.799 4.352 -9.799 122 HD3 LYS 13 1HD LYS 13 1.912 3.235 -8.761 123 HE2 LYS 13 2HE LYS 13 0.105 3.213 -10.111 124 HE3 LYS 13 1HE LYS 13 0.253 4.925 -10.507 125 HZ1 LYS 13 3HZ LYS 13 0.771 2.968 -12.228 126 HZ2 LYS 13 1HZ LYS 13 2.320 3.194 -11.586 127 HZ3 LYS 13 2HZ LYS 13 1.505 4.489 -12.308 128 H GLU 14 H GLU 14 2.240 6.164 -5.569 129 HA GLU 14 HA GLU 14 5.103 5.528 -5.238 130 HB2 GLU 14 2HB GLU 14 2.871 5.897 -3.267 131 HB3 GLU 14 1HB GLU 14 4.307 4.974 -2.830 132 HG2 GLU 14 2HG GLU 14 4.971 7.006 -2.102 133 HG3 GLU 14 1HG GLU 14 5.509 7.144 -3.776 134 H GLU 15 H GLU 15 5.669 3.419 -4.414 135 HA GLU 15 HA GLU 15 3.681 1.318 -4.599 136 HB2 GLU 15 2HB GLU 15 5.482 1.923 -6.774 137 HB3 GLU 15 1HB GLU 15 5.795 0.310 -6.149 138 HG2 GLU 15 2HG GLU 15 2.961 0.923 -6.534 139 HG3 GLU 15 1HG GLU 15 3.922 0.933 -8.013 140 H ALA 16 H ALA 16 4.178 -0.443 -3.375 141 HA ALA 16 HA ALA 16 6.828 -1.098 -2.560 142 HB1 ALA 16 1HB ALA 16 6.568 -0.625 -0.161 143 HB2 ALA 16 2HB ALA 16 5.038 0.185 -0.498 144 HB3 ALA 16 3HB ALA 16 6.545 0.844 -1.135 145 H ILE 17 H ILE 17 6.882 -2.961 -1.103 146 HA ILE 17 HA ILE 17 4.332 -4.396 -0.884 147 HB ILE 17 HB ILE 17 5.631 -6.510 -1.525 148 HG12 ILE 17 2HG1 ILE 17 7.358 -4.574 -3.057 149 HG13 ILE 17 1HG1 ILE 17 7.846 -5.199 -1.484 150 HG21 ILE 17 1HG2 ILE 17 3.971 -4.913 -2.912 151 HG22 ILE 17 2HG2 ILE 17 4.647 -6.411 -3.551 152 HG23 ILE 17 3HG2 ILE 17 5.390 -4.864 -3.958 153 HD11 ILE 17 3HD1 ILE 17 7.361 -7.514 -2.605 154 HD12 ILE 17 1HD1 ILE 17 8.886 -6.673 -2.877 155 HD13 ILE 17 2HD1 ILE 17 7.610 -6.600 -4.092 156 H LYS 18 H LYS 18 4.077 -5.522 0.954 157 HA LYS 18 HA LYS 18 6.401 -6.173 2.592 158 HB2 LYS 18 2HB LYS 18 5.564 -5.136 4.567 159 HB3 LYS 18 1HB LYS 18 5.520 -3.918 3.301 160 HG2 LYS 18 2HG LYS 18 3.063 -4.664 2.998 161 HG3 LYS 18 1HG LYS 18 3.256 -5.368 4.603 162 HD2 LYS 18 2HD LYS 18 3.739 -2.480 3.875 163 HD3 LYS 18 1HD LYS 18 2.321 -3.107 4.716 164 HE2 LYS 18 2HE LYS 18 3.376 -2.991 6.666 165 HE3 LYS 18 1HE LYS 18 4.689 -3.996 6.054 166 HZ1 LYS 18 3HZ LYS 18 4.460 -1.043 5.900 167 HZ2 LYS 18 1HZ LYS 18 5.625 -1.930 5.051 168 HZ3 LYS 18 2HZ LYS 18 5.617 -1.944 6.743 169 H GLU 19 H GLU 19 6.227 -8.280 2.959 170 HA GLU 19 HA GLU 19 3.586 -9.508 3.082 171 HB2 GLU 19 2HB GLU 19 5.222 -10.516 1.560 172 HB3 GLU 19 1HB GLU 19 6.334 -10.759 2.901 173 HG2 GLU 19 2HG GLU 19 4.718 -12.278 3.948 174 HG3 GLU 19 1HG GLU 19 3.638 -12.057 2.572 175 H LEU 20 H LEU 20 2.753 -9.382 5.040 176 HA LEU 20 HA LEU 20 4.458 -9.929 7.369 177 HB2 LEU 20 2HB LEU 20 1.837 -8.502 7.041 178 HB3 LEU 20 1HB LEU 20 2.369 -9.063 8.614 179 HG LEU 20 HG LEU 20 2.923 -6.726 8.356 180 HD11 LEU 20 1HD1 LEU 20 4.960 -6.891 9.304 181 HD12 LEU 20 2HD1 LEU 20 5.610 -7.875 7.992 182 HD13 LEU 20 3HD1 LEU 20 4.616 -8.620 9.244 183 HD21 LEU 20 3HD2 LEU 20 3.182 -7.194 5.730 184 HD22 LEU 20 1HD2 LEU 20 4.882 -7.197 6.198 185 HD23 LEU 20 2HD2 LEU 20 3.877 -5.787 6.535 186 H VAL 21 H VAL 21 2.901 -10.863 9.246 187 HA VAL 21 HA VAL 21 2.407 -13.550 8.493 188 HB VAL 21 HB VAL 21 3.125 -12.921 10.762 189 HG11 VAL 21 1HG1 VAL 21 0.397 -12.119 11.567 190 HG12 VAL 21 2HG1 VAL 21 1.334 -10.934 10.659 191 HG13 VAL 21 3HG1 VAL 21 1.965 -11.584 12.172 192 HG21 VAL 21 3HG2 VAL 21 0.983 -14.193 11.866 193 HG22 VAL 21 1HG2 VAL 21 2.318 -14.996 11.040 194 HG23 VAL 21 2HG2 VAL 21 0.828 -14.641 10.167 195 H ASP 22 H ASP 22 0.343 -10.740 8.917 196 HA ASP 22 HA ASP 22 -1.874 -12.274 7.786 197 HB2 ASP 22 2HB ASP 22 -1.839 -11.757 10.437 198 HB3 ASP 22 1HB ASP 22 -2.594 -10.275 9.856 199 H ALA 23 H ALA 23 -3.634 -9.910 8.220 200 HA ALA 23 HA ALA 23 -2.477 -8.161 6.155 201 HB1 ALA 23 1HB ALA 23 -4.255 -9.373 5.160 202 HB2 ALA 23 2HB ALA 23 -4.858 -7.744 5.463 203 HB3 ALA 23 3HB ALA 23 -5.321 -9.068 6.532 204 H GLY 24 H GLY 24 -3.000 -8.151 9.320 205 HA2 GLY 24 2HA GLY 24 -4.354 -5.583 9.535 206 HA3 GLY 24 1HA GLY 24 -3.827 -6.597 10.871 207 H THR 25 H THR 25 -1.299 -6.913 10.776 208 HA THR 25 HA THR 25 -0.150 -4.460 11.452 209 HB THR 25 HB THR 25 2.029 -5.694 11.341 210 HG1 THR 25 1HG THR 25 0.424 -7.888 10.550 211 HG21 THR 25 3HG2 THR 25 0.521 -5.838 13.328 212 HG22 THR 25 1HG2 THR 25 1.629 -7.190 13.121 213 HG23 THR 25 2HG2 THR 25 -0.070 -7.366 12.677 214 H ALA 26 H ALA 26 -0.412 -6.099 8.387 215 HA ALA 26 HA ALA 26 1.530 -4.412 7.082 216 HB1 ALA 26 1HB ALA 26 -0.426 -6.372 5.888 217 HB2 ALA 26 2HB ALA 26 1.222 -6.748 6.387 218 HB3 ALA 26 3HB ALA 26 0.938 -5.620 5.062 219 H GLU 27 H GLU 27 -1.988 -4.615 7.400 220 HA GLU 27 HA GLU 27 -2.452 -2.607 5.388 221 HB2 GLU 27 2HB GLU 27 -4.744 -2.731 5.933 222 HB3 GLU 27 1HB GLU 27 -4.131 -4.366 6.098 223 HG2 GLU 27 2HG GLU 27 -5.032 -4.424 8.119 224 HG3 GLU 27 1HG GLU 27 -3.856 -3.214 8.626 225 H LYS 28 H LYS 28 -1.881 -2.613 8.811 226 HA LYS 28 HA LYS 28 -2.736 0.091 9.244 227 HB2 LYS 28 2HB LYS 28 -1.582 -2.086 10.853 228 HB3 LYS 28 1HB LYS 28 -1.094 -0.475 11.348 229 HG2 LYS 28 2HG LYS 28 -3.447 0.170 11.540 230 HG3 LYS 28 1HG LYS 28 -3.927 -1.456 11.059 231 HD2 LYS 28 2HD LYS 28 -3.982 -1.842 13.276 232 HD3 LYS 28 1HD LYS 28 -2.234 -2.014 13.093 233 HE2 LYS 28 2HE LYS 28 -3.258 0.732 13.494 234 HE3 LYS 28 1HE LYS 28 -3.389 -0.358 14.873 235 HZ1 LYS 28 3HZ LYS 28 -0.843 -0.106 13.399 236 HZ2 LYS 28 1HZ LYS 28 -1.106 -0.603 14.996 237 HZ3 LYS 28 2HZ LYS 28 -1.264 1.028 14.581 238 H TYR 29 H TYR 29 0.435 -1.521 9.053 239 HA TYR 29 HA TYR 29 2.035 0.732 9.381 240 HB2 TYR 29 2HB TYR 29 2.473 -1.955 8.878 241 HB3 TYR 29 1HB TYR 29 3.125 -1.166 7.440 242 HD1 TYR 29 1HD TYR 29 3.302 -1.165 11.155 243 HD2 TYR 29 2HD TYR 29 5.230 -0.139 7.503 244 HE1 TYR 29 1HE TYR 29 5.353 -0.623 12.396 245 HE2 TYR 29 2HE TYR 29 7.287 0.406 8.736 246 HH TYR 29 HH TYR 29 7.774 -0.461 11.976 247 H PHE 30 H PHE 30 0.659 -0.647 6.414 248 HA PHE 30 HA PHE 30 1.883 1.189 4.648 249 HB2 PHE 30 2HB PHE 30 -0.200 -0.878 4.485 250 HB3 PHE 30 1HB PHE 30 -0.419 0.452 3.349 251 HD1 PHE 30 2HD PHE 30 2.409 1.116 2.750 252 HD2 PHE 30 1HD PHE 30 0.453 -2.645 3.129 253 HE1 PHE 30 2HE PHE 30 4.073 0.104 1.245 254 HE2 PHE 30 1HE PHE 30 2.111 -3.661 1.623 255 HZ PHE 30 HZ PHE 30 3.924 -2.287 0.679 256 H LYS 31 H LYS 31 -1.110 1.253 6.484 257 HA LYS 31 HA LYS 31 -2.213 3.536 5.200 258 HB2 LYS 31 2HB LYS 31 -3.047 1.701 7.150 259 HB3 LYS 31 1HB LYS 31 -3.064 3.264 7.951 260 HG2 LYS 31 2HG LYS 31 -4.937 3.838 6.920 261 HG3 LYS 31 1HG LYS 31 -4.231 3.490 5.341 262 HD2 LYS 31 2HD LYS 31 -5.984 2.001 5.376 263 HD3 LYS 31 1HD LYS 31 -4.683 1.002 6.026 264 HE2 LYS 31 2HE LYS 31 -5.729 0.765 7.980 265 HE3 LYS 31 1HE LYS 31 -6.025 2.498 8.109 266 HZ1 LYS 31 3HZ LYS 31 -7.981 0.779 7.884 267 HZ2 LYS 31 1HZ LYS 31 -7.668 0.972 6.232 268 HZ3 LYS 31 2HZ LYS 31 -8.073 2.314 7.179 269 H LEU 32 H LEU 32 0.013 3.063 7.849 270 HA LEU 32 HA LEU 32 -0.124 5.683 8.919 271 HB2 LEU 32 2HB LEU 32 1.209 3.293 9.526 272 HB3 LEU 32 1HB LEU 32 2.482 4.466 9.229 273 HG LEU 32 HG LEU 32 0.930 5.926 10.856 274 HD11 LEU 32 1HD1 LEU 32 0.467 4.082 12.726 275 HD12 LEU 32 2HD1 LEU 32 0.178 3.100 11.289 276 HD13 LEU 32 3HD1 LEU 32 -0.751 4.577 11.552 277 HD21 LEU 32 3HD2 LEU 32 2.649 5.750 12.318 278 HD22 LEU 32 1HD2 LEU 32 3.406 4.909 10.959 279 HD23 LEU 32 2HD2 LEU 32 2.657 3.986 12.260 280 H ILE 33 H ILE 33 2.332 4.153 6.829 281 HA ILE 33 HA ILE 33 3.852 6.434 6.336 282 HB ILE 33 HB ILE 33 4.598 4.172 5.745 283 HG12 ILE 33 2HG1 ILE 33 5.501 4.742 3.442 284 HG13 ILE 33 1HG1 ILE 33 4.517 6.200 3.508 285 HG21 ILE 33 1HG2 ILE 33 3.779 3.039 3.772 286 HG22 ILE 33 2HG2 ILE 33 2.651 4.356 3.450 287 HG23 ILE 33 3HG2 ILE 33 2.445 3.347 4.883 288 HD11 ILE 33 3HD1 ILE 33 7.110 5.833 4.481 289 HD12 ILE 33 1HD1 ILE 33 6.071 5.969 5.899 290 HD13 ILE 33 2HD1 ILE 33 6.070 7.243 4.680 291 H ALA 34 H ALA 34 1.041 5.169 4.582 292 HA ALA 34 HA ALA 34 1.049 6.982 2.453 293 HB1 ALA 34 1HB ALA 34 -1.573 6.495 2.694 294 HB2 ALA 34 2HB ALA 34 -0.943 5.189 3.698 295 HB3 ALA 34 3HB ALA 34 -0.436 5.330 2.015 296 H ASN 35 H ASN 35 -0.010 7.319 5.754 297 HA ASN 35 HA ASN 35 -1.541 9.701 5.334 298 HB2 ASN 35 2HB ASN 35 -0.600 8.151 7.705 299 HB3 ASN 35 1HB ASN 35 -1.113 9.818 7.948 300 HD21 ASN 35 1HD2 ASN 35 -2.408 7.658 9.099 301 HD22 ASN 35 2HD2 ASN 35 -3.990 7.524 8.420 302 H ALA 36 H ALA 36 1.794 8.964 6.012 303 HA ALA 36 HA ALA 36 2.418 11.757 6.586 304 HB1 ALA 36 1HB ALA 36 4.610 9.799 6.363 305 HB2 ALA 36 2HB ALA 36 3.430 9.494 7.637 306 HB3 ALA 36 3HB ALA 36 4.301 11.026 7.591 307 H LYS 37 H LYS 37 2.729 9.387 4.047 308 HA LYS 37 HA LYS 37 4.648 10.825 2.501 309 HB2 LYS 37 2HB LYS 37 3.340 8.304 2.372 310 HB3 LYS 37 1HB LYS 37 3.053 9.125 0.844 311 HG2 LYS 37 2HG LYS 37 5.814 9.037 1.965 312 HG3 LYS 37 1HG LYS 37 5.150 7.617 1.156 313 HD2 LYS 37 2HD LYS 37 4.953 8.721 -0.886 314 HD3 LYS 37 1HD LYS 37 5.024 10.318 -0.137 315 HE2 LYS 37 2HE LYS 37 7.360 8.452 0.026 316 HE3 LYS 37 1HE LYS 37 7.092 9.425 -1.420 317 HZ1 LYS 37 3HZ LYS 37 7.877 10.262 1.264 318 HZ2 LYS 37 1HZ LYS 37 6.869 11.307 0.396 319 HZ3 LYS 37 2HZ LYS 37 8.370 10.856 -0.241 320 H THR 38 H THR 38 1.363 9.995 1.432 321 HA THR 38 HA THR 38 0.611 12.717 1.003 322 HB THR 38 HB THR 38 0.319 12.214 -1.552 323 HG1 THR 38 1HG THR 38 2.536 10.578 -0.913 324 HG21 THR 38 3HG2 THR 38 1.954 13.679 -1.923 325 HG22 THR 38 1HG2 THR 38 3.165 12.654 -1.153 326 HG23 THR 38 2HG2 THR 38 2.147 13.698 -0.168 327 H VAL 39 H VAL 39 -1.539 12.850 1.126 328 HA VAL 39 HA VAL 39 -3.316 10.990 -0.067 329 HB VAL 39 HB VAL 39 -2.616 9.604 1.839 330 HG11 VAL 39 1HG1 VAL 39 -2.983 10.217 4.096 331 HG12 VAL 39 2HG1 VAL 39 -3.880 11.663 3.632 332 HG13 VAL 39 3HG1 VAL 39 -2.142 11.572 3.343 333 HG21 VAL 39 3HG2 VAL 39 -5.354 10.472 1.320 334 HG22 VAL 39 1HG2 VAL 39 -5.139 9.735 2.908 335 HG23 VAL 39 2HG2 VAL 39 -4.686 8.845 1.455 336 H GLU 40 H GLU 40 -4.923 12.255 -0.687 337 HA GLU 40 HA GLU 40 -6.441 13.817 1.130 338 HB2 GLU 40 2HB GLU 40 -4.209 15.135 0.421 339 HB3 GLU 40 1HB GLU 40 -5.250 15.583 -0.933 340 HG2 GLU 40 2HG GLU 40 -6.130 15.906 1.915 341 HG3 GLU 40 1HG GLU 40 -5.189 17.140 1.080 342 H GLY 41 H GLY 41 -6.741 11.787 -0.975 343 HA2 GLY 41 2HA GLY 41 -8.775 13.207 -2.566 344 HA3 GLY 41 1HA GLY 41 -7.628 12.133 -3.364 345 H VAL 42 H VAL 42 -8.721 10.409 -3.990 346 HA VAL 42 HA VAL 42 -10.711 9.237 -2.174 347 HB VAL 42 HB VAL 42 -11.521 9.762 -4.423 348 HG11 VAL 42 1HG1 VAL 42 -10.059 7.649 -5.799 349 HG12 VAL 42 2HG1 VAL 42 -9.037 8.985 -5.281 350 HG13 VAL 42 3HG1 VAL 42 -10.433 9.289 -6.316 351 HG21 VAL 42 3HG2 VAL 42 -11.538 7.098 -3.257 352 HG22 VAL 42 1HG2 VAL 42 -11.874 7.096 -4.989 353 HG23 VAL 42 2HG2 VAL 42 -12.866 8.058 -3.897 354 H TRP 43 H TRP 43 -10.460 7.261 -1.313 355 HA TRP 43 HA TRP 43 -7.892 5.954 -1.676 356 HB2 TRP 43 2HB TRP 43 -10.123 5.738 0.311 357 HB3 TRP 43 1HB TRP 43 -8.981 4.402 0.150 358 HD1 TRP 43 HD TRP 43 -8.849 8.235 0.798 359 HE1 TRP 43 1HE TRP 43 -6.887 8.690 2.400 360 HE3 TRP 43 3HE TRP 43 -7.004 3.481 1.204 361 HZ2 TRP 43 2HZ TRP 43 -4.827 7.231 3.664 362 HZ3 TRP 43 3HZ TRP 43 -5.035 3.098 2.628 363 HH2 TRP 43 HH TRP 43 -3.971 4.936 3.832 364 H THR 44 H THR 44 -7.623 3.800 -2.299 365 HA THR 44 HA THR 44 -9.957 2.409 -3.384 366 HB THR 44 HB THR 44 -9.126 3.532 -5.320 367 HG1 THR 44 1HG THR 44 -8.007 0.930 -5.367 368 HG21 THR 44 3HG2 THR 44 -7.036 4.272 -5.326 369 HG22 THR 44 1HG2 THR 44 -6.580 2.649 -5.843 370 HG23 THR 44 2HG2 THR 44 -6.521 3.079 -4.134 371 H TYR 45 H TYR 45 -9.749 0.162 -3.495 372 HA TYR 45 HA TYR 45 -7.286 -0.973 -2.366 373 HB2 TYR 45 2HB TYR 45 -8.783 -0.884 -0.500 374 HB3 TYR 45 1HB TYR 45 -10.119 -1.520 -1.465 375 HD1 TYR 45 2HD TYR 45 -7.000 -2.367 0.286 376 HD2 TYR 45 1HD TYR 45 -10.306 -3.882 -1.904 377 HE1 TYR 45 2HE TYR 45 -6.421 -4.643 1.004 378 HE2 TYR 45 1HE TYR 45 -9.740 -6.169 -1.195 379 HH TYR 45 HH TYR 45 -7.424 -6.807 1.259 380 H LYS 46 H LYS 46 -6.604 -2.831 -3.279 381 HA LYS 46 HA LYS 46 -8.294 -3.963 -5.407 382 HB2 LYS 46 2HB LYS 46 -5.304 -4.280 -5.188 383 HB3 LYS 46 1HB LYS 46 -6.330 -4.573 -6.591 384 HG2 LYS 46 2HG LYS 46 -6.778 -1.912 -5.993 385 HG3 LYS 46 1HG LYS 46 -5.053 -2.129 -5.694 386 HD2 LYS 46 2HD LYS 46 -6.330 -3.165 -8.201 387 HD3 LYS 46 1HD LYS 46 -5.822 -1.480 -8.069 388 HE2 LYS 46 2HE LYS 46 -3.558 -2.416 -7.329 389 HE3 LYS 46 1HE LYS 46 -4.140 -3.964 -7.941 390 HZ1 LYS 46 3HZ LYS 46 -4.156 -1.523 -9.610 391 HZ2 LYS 46 1HZ LYS 46 -4.265 -3.137 -10.107 392 HZ3 LYS 46 2HZ LYS 46 -2.801 -2.530 -9.519 393 H ASP 47 H ASP 47 -8.580 -6.168 -5.550 394 HA ASP 47 HA ASP 47 -8.092 -7.629 -3.082 395 HB2 ASP 47 2HB ASP 47 -10.220 -7.534 -4.843 396 HB3 ASP 47 1HB ASP 47 -9.474 -9.092 -5.189 397 H GLU 48 H GLU 48 -5.941 -7.062 -5.115 398 HA GLU 48 HA GLU 48 -5.298 -9.662 -6.201 399 HB2 GLU 48 2HB GLU 48 -3.834 -7.022 -6.174 400 HB3 GLU 48 1HB GLU 48 -3.148 -8.484 -6.868 401 HG2 GLU 48 2HG GLU 48 -5.757 -7.266 -7.739 402 HG3 GLU 48 1HG GLU 48 -4.205 -6.955 -8.515 403 H ILE 49 H ILE 49 -5.547 -10.311 -3.743 404 HA ILE 49 HA ILE 49 -4.517 -11.347 -1.999 405 HB ILE 49 HB ILE 49 -1.885 -10.656 -3.302 406 HG12 ILE 49 2HG1 ILE 49 -3.172 -11.820 -4.958 407 HG13 ILE 49 1HG1 ILE 49 -2.046 -12.981 -4.261 408 HG21 ILE 49 1HG2 ILE 49 -2.427 -13.078 -1.643 409 HG22 ILE 49 2HG2 ILE 49 -2.115 -11.529 -0.861 410 HG23 ILE 49 3HG2 ILE 49 -0.907 -12.232 -1.935 411 HD11 ILE 49 3HD1 ILE 49 -4.907 -12.719 -3.383 412 HD12 ILE 49 1HD1 ILE 49 -3.766 -14.007 -2.991 413 HD13 ILE 49 2HD1 ILE 49 -4.363 -13.829 -4.642 414 H LYS 50 H LYS 50 -5.424 -9.060 -1.294 415 HA LYS 50 HA LYS 50 -5.264 -7.342 0.190 416 HB2 LYS 50 2HB LYS 50 -2.980 -9.103 0.944 417 HB3 LYS 50 1HB LYS 50 -3.051 -7.495 1.652 418 HG2 LYS 50 2HG LYS 50 -4.169 -8.735 3.222 419 HG3 LYS 50 1HG LYS 50 -5.505 -8.159 2.223 420 HD2 LYS 50 2HD LYS 50 -4.804 -10.468 0.946 421 HD3 LYS 50 1HD LYS 50 -4.492 -10.878 2.634 422 HE2 LYS 50 2HE LYS 50 -6.822 -9.899 3.090 423 HE3 LYS 50 1HE LYS 50 -7.066 -10.031 1.348 424 HZ1 LYS 50 3HZ LYS 50 -7.739 -11.971 2.921 425 HZ2 LYS 50 1HZ LYS 50 -6.098 -12.374 2.829 426 HZ3 LYS 50 2HZ LYS 50 -7.033 -12.303 1.420 427 H THR 51 H THR 51 -5.071 -5.645 -1.252 428 HA THR 51 HA THR 51 -2.418 -4.450 -1.374 429 HB THR 51 HB THR 51 -4.101 -4.949 -3.833 430 HG1 THR 51 1HG THR 51 -2.946 -6.769 -3.286 431 HG21 THR 51 3HG2 THR 51 -3.066 -3.241 -4.777 432 HG22 THR 51 1HG2 THR 51 -1.554 -4.129 -4.590 433 HG23 THR 51 2HG2 THR 51 -2.064 -2.984 -3.349 434 H PHE 52 H PHE 52 -2.835 -2.625 -0.295 435 HA PHE 52 HA PHE 52 -5.315 -1.165 -0.736 436 HB2 PHE 52 2HB PHE 52 -3.214 -1.222 1.319 437 HB3 PHE 52 1HB PHE 52 -3.788 0.399 0.938 438 HD1 PHE 52 1HD PHE 52 -6.533 0.331 0.601 439 HD2 PHE 52 2HD PHE 52 -4.196 -2.127 3.175 440 HE1 PHE 52 1HE PHE 52 -8.498 -0.026 2.038 441 HE2 PHE 52 2HE PHE 52 -6.158 -2.491 4.612 442 HZ PHE 52 HZ PHE 52 -8.312 -1.439 4.046 443 H THR 53 H THR 53 -5.392 0.993 -1.531 444 HA THR 53 HA THR 53 -2.930 2.080 -2.658 445 HB THR 53 HB THR 53 -4.341 2.545 -4.811 446 HG1 THR 53 1HG THR 53 -5.785 0.809 -5.223 447 HG21 THR 53 3HG2 THR 53 -3.499 0.617 -5.893 448 HG22 THR 53 1HG2 THR 53 -3.410 -0.277 -4.376 449 HG23 THR 53 2HG2 THR 53 -2.319 1.078 -4.668 450 H VAL 54 H VAL 54 -2.907 4.287 -2.892 451 HA VAL 54 HA VAL 54 -5.333 5.712 -2.010 452 HB VAL 54 HB VAL 54 -2.496 6.540 -1.393 453 HG11 VAL 54 1HG1 VAL 54 -3.396 8.279 -0.117 454 HG12 VAL 54 2HG1 VAL 54 -5.005 7.557 -0.100 455 HG13 VAL 54 3HG1 VAL 54 -4.375 8.273 -1.584 456 HG21 VAL 54 3HG2 VAL 54 -2.615 4.824 0.072 457 HG22 VAL 54 1HG2 VAL 54 -4.376 4.769 0.033 458 HG23 VAL 54 2HG2 VAL 54 -3.553 5.982 1.014 459 H THR 55 H THR 55 -6.070 6.479 -3.912 460 HA THR 55 HA THR 55 -4.216 7.857 -5.714 461 HB THR 55 HB THR 55 -7.085 7.004 -6.148 462 HG1 THR 55 1HG THR 55 -4.611 5.866 -6.905 463 HG21 THR 55 3HG2 THR 55 -5.107 8.330 -7.953 464 HG22 THR 55 1HG2 THR 55 -6.801 8.724 -7.670 465 HG23 THR 55 2HG2 THR 55 -6.375 7.285 -8.592 466 H GLU 56 H GLU 56 -4.975 9.886 -6.714 467 HA GLU 56 HA GLU 56 -6.808 11.431 -5.034 468 HB2 GLU 56 2HB GLU 56 -4.325 11.755 -4.408 469 HB3 GLU 56 1HB GLU 56 -4.194 12.624 -5.932 470 HG2 GLU 56 2HG GLU 56 -6.420 13.472 -4.224 471 HG3 GLU 56 1HG GLU 56 -4.813 13.752 -3.552 Start of MODEL 18 1 H1 THR 1 1HT THR 1 0.518 -10.994 5.115 2 H2 THR 1 2HT THR 1 1.819 -12.047 5.498 3 H3 THR 1 3HT THR 1 0.212 -12.648 5.443 4 HA THR 1 HA THR 1 1.671 -13.163 3.514 5 HB THR 1 HB THR 1 -0.215 -12.724 1.938 6 HG1 THR 1 1HG THR 1 -1.674 -11.289 2.392 7 HG21 THR 1 3HG2 THR 1 -1.327 -13.584 4.586 8 HG22 THR 1 1HG2 THR 1 -0.273 -14.612 3.614 9 HG23 THR 1 2HG2 THR 1 -1.827 -14.080 2.970 10 H THR 2 H THR 2 1.500 -12.087 1.116 11 HA THR 2 HA THR 2 3.322 -9.870 1.240 12 HB THR 2 HB THR 2 2.042 -10.986 -1.249 13 HG1 THR 2 1HG THR 2 3.819 -12.444 -1.276 14 HG21 THR 2 3HG2 THR 2 4.620 -10.560 -1.864 15 HG22 THR 2 1HG2 THR 2 4.363 -9.277 -0.681 16 HG23 THR 2 2HG2 THR 2 3.339 -9.375 -2.114 17 H TYR 3 H TYR 3 2.738 -7.813 1.389 18 HA TYR 3 HA TYR 3 0.111 -7.030 0.311 19 HB2 TYR 3 2HB TYR 3 1.219 -6.654 2.890 20 HB3 TYR 3 1HB TYR 3 1.161 -5.068 2.125 21 HD1 TYR 3 2HD TYR 3 -1.044 -4.255 1.194 22 HD2 TYR 3 1HD TYR 3 -0.743 -7.668 3.727 23 HE1 TYR 3 2HE TYR 3 -3.446 -4.091 1.688 24 HE2 TYR 3 1HE TYR 3 -3.151 -7.509 4.216 25 HH TYR 3 HH TYR 3 -5.029 -4.782 3.382 26 H LYS 4 H LYS 4 0.091 -5.680 -1.352 27 HA LYS 4 HA LYS 4 2.546 -4.169 -1.960 28 HB2 LYS 4 2HB LYS 4 1.440 -5.993 -3.562 29 HB3 LYS 4 1HB LYS 4 0.467 -4.611 -4.045 30 HG2 LYS 4 2HG LYS 4 2.300 -3.454 -4.883 31 HG3 LYS 4 1HG LYS 4 3.453 -4.434 -3.975 32 HD2 LYS 4 2HD LYS 4 1.706 -5.668 -6.074 33 HD3 LYS 4 1HD LYS 4 3.199 -4.837 -6.516 34 HE2 LYS 4 2HE LYS 4 3.437 -6.763 -4.305 35 HE3 LYS 4 1HE LYS 4 3.039 -7.465 -5.872 36 HZ1 LYS 4 3HZ LYS 4 5.320 -5.622 -5.411 37 HZ2 LYS 4 1HZ LYS 4 4.979 -6.488 -6.825 38 HZ3 LYS 4 2HZ LYS 4 5.452 -7.309 -5.423 39 H LEU 5 H LEU 5 2.270 -2.034 -2.932 40 HA LEU 5 HA LEU 5 -0.333 -0.798 -2.424 41 HB2 LEU 5 2HB LEU 5 1.820 -0.507 -0.693 42 HB3 LEU 5 1HB LEU 5 1.835 0.961 -1.651 43 HG LEU 5 HG LEU 5 -0.633 1.201 -1.057 44 HD11 LEU 5 1HD1 LEU 5 -1.403 -0.757 -0.196 45 HD12 LEU 5 2HD1 LEU 5 -0.942 0.044 1.305 46 HD13 LEU 5 3HD1 LEU 5 0.130 -1.153 0.578 47 HD21 LEU 5 3HD2 LEU 5 0.228 1.699 1.484 48 HD22 LEU 5 1HD2 LEU 5 0.444 2.781 0.110 49 HD23 LEU 5 2HD2 LEU 5 1.743 1.686 0.581 50 H ILE 6 H ILE 6 -0.814 0.999 -3.638 51 HA ILE 6 HA ILE 6 1.175 1.974 -5.524 52 HB ILE 6 HB ILE 6 -1.573 1.319 -6.547 53 HG12 ILE 6 2HG1 ILE 6 -0.168 -0.597 -7.721 54 HG13 ILE 6 1HG1 ILE 6 0.816 -0.455 -6.267 55 HG21 ILE 6 1HG2 ILE 6 -0.172 1.291 -8.715 56 HG22 ILE 6 2HG2 ILE 6 1.032 2.147 -7.752 57 HG23 ILE 6 3HG2 ILE 6 -0.574 2.840 -7.973 58 HD11 ILE 6 3HD1 ILE 6 -1.356 -0.746 -4.975 59 HD12 ILE 6 1HD1 ILE 6 -0.710 -2.157 -5.811 60 HD13 ILE 6 2HD1 ILE 6 -2.058 -1.259 -6.509 61 H LEU 7 H LEU 7 1.279 4.049 -4.870 62 HA LEU 7 HA LEU 7 -1.261 5.452 -4.396 63 HB2 LEU 7 2HB LEU 7 1.250 6.708 -3.484 64 HB3 LEU 7 1HB LEU 7 -0.331 6.662 -2.719 65 HG LEU 7 HG LEU 7 1.080 5.470 -1.277 66 HD11 LEU 7 1HD1 LEU 7 0.389 2.933 -2.174 67 HD12 LEU 7 2HD1 LEU 7 -0.876 3.992 -2.790 68 HD13 LEU 7 3HD1 LEU 7 -0.523 3.957 -1.066 69 HD21 LEU 7 3HD2 LEU 7 2.677 5.076 -3.472 70 HD22 LEU 7 1HD2 LEU 7 2.117 3.446 -3.097 71 HD23 LEU 7 2HD2 LEU 7 2.944 4.397 -1.865 72 H ASN 8 H ASN 8 -1.865 7.080 -5.641 73 HA ASN 8 HA ASN 8 0.120 8.178 -7.529 74 HB2 ASN 8 2HB ASN 8 -1.750 6.943 -8.593 75 HB3 ASN 8 1HB ASN 8 -2.891 8.056 -7.836 76 HD21 ASN 8 1HD2 ASN 8 -3.270 9.986 -8.750 77 HD22 ASN 8 2HD2 ASN 8 -2.523 10.545 -10.206 78 H LEU 9 H LEU 9 0.775 10.158 -7.005 79 HA LEU 9 HA LEU 9 -1.196 12.035 -5.892 80 HB2 LEU 9 2HB LEU 9 1.016 12.967 -4.722 81 HB3 LEU 9 1HB LEU 9 -0.040 11.785 -3.962 82 HG LEU 9 HG LEU 9 2.169 10.715 -5.626 83 HD11 LEU 9 1HD1 LEU 9 3.894 11.167 -4.150 84 HD12 LEU 9 2HD1 LEU 9 2.799 11.624 -2.848 85 HD13 LEU 9 3HD1 LEU 9 3.040 12.699 -4.222 86 HD21 LEU 9 3HD2 LEU 9 2.263 9.222 -3.538 87 HD22 LEU 9 1HD2 LEU 9 0.856 9.090 -4.593 88 HD23 LEU 9 2HD2 LEU 9 0.746 10.000 -3.086 89 H LYS 10 H LYS 10 2.250 12.405 -6.663 90 HA LYS 10 HA LYS 10 2.108 14.893 -7.791 91 HB2 LYS 10 2HB LYS 10 4.006 12.640 -7.956 92 HB3 LYS 10 1HB LYS 10 4.128 13.822 -9.252 93 HG2 LYS 10 2HG LYS 10 5.447 14.960 -7.875 94 HG3 LYS 10 1HG LYS 10 3.973 15.392 -7.009 95 HD2 LYS 10 2HD LYS 10 4.296 13.280 -5.665 96 HD3 LYS 10 1HD LYS 10 5.899 13.162 -6.396 97 HE2 LYS 10 2HE LYS 10 6.731 14.827 -5.132 98 HE3 LYS 10 1HE LYS 10 5.255 15.792 -5.252 99 HZ1 LYS 10 3HZ LYS 10 5.693 15.052 -2.981 100 HZ2 LYS 10 1HZ LYS 10 5.626 13.436 -3.476 101 HZ3 LYS 10 2HZ LYS 10 4.243 14.408 -3.566 102 H GLN 11 H GLN 11 2.814 12.190 -9.964 103 HA GLN 11 HA GLN 11 0.683 13.095 -11.760 104 HB2 GLN 11 2HB GLN 11 3.597 13.091 -12.273 105 HB3 GLN 11 1HB GLN 11 2.586 12.451 -13.569 106 HG2 GLN 11 2HG GLN 11 1.777 14.467 -14.104 107 HG3 GLN 11 1HG GLN 11 1.668 14.989 -12.424 108 HE21 GLN 11 1HE2 GLN 11 2.669 16.899 -12.459 109 HE22 GLN 11 2HE2 GLN 11 4.294 17.160 -12.985 110 H ALA 12 H ALA 12 3.230 10.637 -11.360 111 HA ALA 12 HA ALA 12 1.461 8.643 -12.555 112 HB1 ALA 12 1HB ALA 12 4.383 8.536 -11.821 113 HB2 ALA 12 2HB ALA 12 3.696 8.681 -13.438 114 HB3 ALA 12 3HB ALA 12 3.477 7.193 -12.517 115 H LYS 13 H LYS 13 2.051 6.342 -11.415 116 HA LYS 13 HA LYS 13 1.065 6.671 -8.683 117 HB2 LYS 13 2HB LYS 13 0.455 4.306 -8.817 118 HB3 LYS 13 1HB LYS 13 -0.215 5.206 -10.171 119 HG2 LYS 13 2HG LYS 13 1.677 4.400 -11.565 120 HG3 LYS 13 1HG LYS 13 2.188 3.393 -10.208 121 HD2 LYS 13 2HD LYS 13 0.564 1.879 -10.568 122 HD3 LYS 13 1HD LYS 13 -0.642 3.116 -10.925 123 HE2 LYS 13 2HE LYS 13 0.083 3.302 -13.173 124 HE3 LYS 13 1HE LYS 13 1.542 2.363 -12.852 125 HZ1 LYS 13 3HZ LYS 13 -0.285 0.588 -12.172 126 HZ2 LYS 13 1HZ LYS 13 0.275 0.746 -13.761 127 HZ3 LYS 13 2HZ LYS 13 -1.192 1.456 -13.306 128 H GLU 14 H GLU 14 1.977 5.527 -6.920 129 HA GLU 14 HA GLU 14 4.847 4.987 -7.272 130 HB2 GLU 14 2HB GLU 14 3.248 6.256 -5.177 131 HB3 GLU 14 1HB GLU 14 4.369 5.049 -4.546 132 HG2 GLU 14 2HG GLU 14 6.198 6.197 -5.772 133 HG3 GLU 14 1HG GLU 14 5.049 7.455 -6.222 134 H GLU 15 H GLU 15 5.679 3.308 -5.591 135 HA GLU 15 HA GLU 15 3.760 1.132 -5.237 136 HB2 GLU 15 2HB GLU 15 6.069 1.128 -7.065 137 HB3 GLU 15 1HB GLU 15 5.945 -0.287 -6.028 138 HG2 GLU 15 2HG GLU 15 4.310 -1.135 -7.253 139 HG3 GLU 15 1HG GLU 15 3.385 0.363 -7.170 140 H ALA 16 H ALA 16 4.372 -0.446 -3.691 141 HA ALA 16 HA ALA 16 6.790 -0.124 -2.162 142 HB1 ALA 16 1HB ALA 16 4.147 0.493 -0.845 143 HB2 ALA 16 2HB ALA 16 5.411 1.666 -1.217 144 HB3 ALA 16 3HB ALA 16 5.711 0.388 -0.038 145 H ILE 17 H ILE 17 7.404 -2.096 -1.559 146 HA ILE 17 HA ILE 17 5.394 -4.231 -1.494 147 HB ILE 17 HB ILE 17 7.427 -5.747 -1.500 148 HG12 ILE 17 2HG1 ILE 17 9.077 -3.648 -2.721 149 HG13 ILE 17 1HG1 ILE 17 8.800 -3.415 -0.997 150 HG21 ILE 17 1HG2 ILE 17 7.267 -5.892 -3.744 151 HG22 ILE 17 2HG2 ILE 17 7.592 -4.177 -3.987 152 HG23 ILE 17 3HG2 ILE 17 5.979 -4.710 -3.515 153 HD11 ILE 17 3HD1 ILE 17 9.666 -5.653 -0.558 154 HD12 ILE 17 1HD1 ILE 17 10.846 -4.651 -1.402 155 HD13 ILE 17 2HD1 ILE 17 9.943 -5.882 -2.285 156 H LYS 18 H LYS 18 4.648 -4.830 0.418 157 HA LYS 18 HA LYS 18 6.498 -5.092 2.662 158 HB2 LYS 18 2HB LYS 18 5.470 -2.882 2.936 159 HB3 LYS 18 1HB LYS 18 3.873 -3.603 2.831 160 HG2 LYS 18 2HG LYS 18 5.748 -4.572 4.924 161 HG3 LYS 18 1HG LYS 18 4.931 -3.023 5.143 162 HD2 LYS 18 2HD LYS 18 2.966 -4.825 4.259 163 HD3 LYS 18 1HD LYS 18 3.907 -5.687 5.479 164 HE2 LYS 18 2HE LYS 18 3.091 -2.892 6.067 165 HE3 LYS 18 1HE LYS 18 1.848 -4.141 6.116 166 HZ1 LYS 18 3HZ LYS 18 3.030 -5.309 7.777 167 HZ2 LYS 18 1HZ LYS 18 3.003 -3.691 8.270 168 HZ3 LYS 18 2HZ LYS 18 4.408 -4.346 7.594 169 H GLU 19 H GLU 19 6.367 -7.195 3.071 170 HA GLU 19 HA GLU 19 3.726 -8.478 3.083 171 HB2 GLU 19 2HB GLU 19 4.888 -10.590 2.679 172 HB3 GLU 19 1HB GLU 19 5.275 -9.417 1.429 173 HG2 GLU 19 2HG GLU 19 7.351 -8.907 2.873 174 HG3 GLU 19 1HG GLU 19 6.996 -10.454 3.639 175 H LEU 20 H LEU 20 3.006 -8.456 5.106 176 HA LEU 20 HA LEU 20 4.862 -9.010 7.305 177 HB2 LEU 20 2HB LEU 20 2.865 -7.151 7.065 178 HB3 LEU 20 1HB LEU 20 2.066 -8.419 7.975 179 HG LEU 20 HG LEU 20 3.990 -8.323 9.608 180 HD11 LEU 20 1HD1 LEU 20 4.842 -6.280 7.678 181 HD12 LEU 20 2HD1 LEU 20 5.791 -7.254 8.802 182 HD13 LEU 20 3HD1 LEU 20 4.959 -5.808 9.373 183 HD21 LEU 20 3HD2 LEU 20 2.210 -7.314 10.561 184 HD22 LEU 20 1HD2 LEU 20 1.915 -6.274 9.168 185 HD23 LEU 20 2HD2 LEU 20 3.183 -5.862 10.322 186 H VAL 21 H VAL 21 3.320 -10.106 9.205 187 HA VAL 21 HA VAL 21 2.785 -12.759 8.108 188 HB VAL 21 HB VAL 21 2.764 -13.504 10.469 189 HG11 VAL 21 1HG1 VAL 21 4.863 -13.867 9.717 190 HG12 VAL 21 2HG1 VAL 21 5.262 -12.588 10.864 191 HG13 VAL 21 3HG1 VAL 21 5.064 -12.209 9.153 192 HG21 VAL 21 3HG2 VAL 21 3.395 -12.003 12.250 193 HG22 VAL 21 1HG2 VAL 21 1.969 -11.363 11.431 194 HG23 VAL 21 2HG2 VAL 21 3.557 -10.665 11.112 195 H ASP 22 H ASP 22 0.911 -10.349 7.993 196 HA ASP 22 HA ASP 22 -1.497 -11.732 8.245 197 HB2 ASP 22 2HB ASP 22 -0.749 -11.263 10.730 198 HB3 ASP 22 1HB ASP 22 -1.379 -9.654 10.394 199 H ALA 23 H ALA 23 -3.059 -10.712 7.165 200 HA ALA 23 HA ALA 23 -2.432 -8.366 5.711 201 HB1 ALA 23 1HB ALA 23 -4.904 -8.544 5.041 202 HB2 ALA 23 2HB ALA 23 -4.906 -10.036 5.982 203 HB3 ALA 23 3HB ALA 23 -3.825 -9.868 4.598 204 H GLY 24 H GLY 24 -3.572 -8.745 8.856 205 HA2 GLY 24 2HA GLY 24 -5.176 -6.328 8.902 206 HA3 GLY 24 1HA GLY 24 -4.829 -7.378 10.269 207 H THR 25 H THR 25 -2.384 -7.421 10.812 208 HA THR 25 HA THR 25 -1.651 -4.885 11.727 209 HB THR 25 HB THR 25 0.283 -7.150 11.240 210 HG1 THR 25 1HG THR 25 -1.460 -6.817 13.451 211 HG21 THR 25 3HG2 THR 25 1.711 -5.997 12.452 212 HG22 THR 25 1HG2 THR 25 0.542 -5.900 13.775 213 HG23 THR 25 2HG2 THR 25 0.559 -4.661 12.522 214 H ALA 26 H ALA 26 -0.970 -6.552 8.738 215 HA ALA 26 HA ALA 26 1.107 -4.782 7.889 216 HB1 ALA 26 1HB ALA 26 1.174 -6.028 5.915 217 HB2 ALA 26 2HB ALA 26 -0.514 -6.519 6.059 218 HB3 ALA 26 3HB ALA 26 0.699 -7.204 7.142 219 H GLU 27 H GLU 27 -2.397 -4.985 7.479 220 HA GLU 27 HA GLU 27 -2.504 -2.990 5.428 221 HB2 GLU 27 2HB GLU 27 -4.858 -3.021 5.663 222 HB3 GLU 27 1HB GLU 27 -4.321 -4.670 5.919 223 HG2 GLU 27 2HG GLU 27 -5.269 -4.729 7.917 224 HG3 GLU 27 1HG GLU 27 -4.426 -3.269 8.421 225 H LYS 28 H LYS 28 -2.317 -2.891 8.879 226 HA LYS 28 HA LYS 28 -3.201 -0.173 9.146 227 HB2 LYS 28 2HB LYS 28 -2.568 -2.340 10.894 228 HB3 LYS 28 1HB LYS 28 -1.604 -0.951 11.365 229 HG2 LYS 28 2HG LYS 28 -3.540 0.381 11.699 230 HG3 LYS 28 1HG LYS 28 -4.579 -0.828 10.949 231 HD2 LYS 28 2HD LYS 28 -3.004 -1.808 13.224 232 HD3 LYS 28 1HD LYS 28 -4.194 -0.570 13.628 233 HE2 LYS 28 2HE LYS 28 -5.107 -2.848 13.818 234 HE3 LYS 28 1HE LYS 28 -5.956 -1.882 12.615 235 HZ1 LYS 28 3HZ LYS 28 -3.986 -4.045 12.148 236 HZ2 LYS 28 1HZ LYS 28 -4.464 -2.971 10.933 237 HZ3 LYS 28 2HZ LYS 28 -5.604 -3.986 11.665 238 H TYR 29 H TYR 29 -0.053 -1.823 9.254 239 HA TYR 29 HA TYR 29 1.558 0.395 9.726 240 HB2 TYR 29 2HB TYR 29 2.047 -2.236 9.410 241 HB3 TYR 29 1HB TYR 29 2.611 -1.645 7.843 242 HD1 TYR 29 2HD TYR 29 2.961 -0.932 11.487 243 HD2 TYR 29 1HD TYR 29 4.792 -0.891 7.655 244 HE1 TYR 29 2HE TYR 29 5.089 -0.259 12.519 245 HE2 TYR 29 1HE TYR 29 6.927 -0.218 8.674 246 HH TYR 29 HH TYR 29 7.667 -0.539 11.775 247 H PHE 30 H PHE 30 0.391 -0.935 6.653 248 HA PHE 30 HA PHE 30 1.781 0.880 4.993 249 HB2 PHE 30 2HB PHE 30 -0.127 -1.250 4.668 250 HB3 PHE 30 1HB PHE 30 -0.610 0.127 3.680 251 HD1 PHE 30 2HD PHE 30 2.182 1.166 3.083 252 HD2 PHE 30 1HD PHE 30 0.504 -2.742 2.972 253 HE1 PHE 30 2HE PHE 30 3.827 0.514 1.374 254 HE2 PHE 30 1HE PHE 30 2.141 -3.402 1.258 255 HZ PHE 30 HZ PHE 30 3.804 -1.772 0.457 256 H LYS 31 H LYS 31 -1.464 0.918 6.401 257 HA LYS 31 HA LYS 31 -2.366 3.264 5.130 258 HB2 LYS 31 2HB LYS 31 -3.272 1.500 7.258 259 HB3 LYS 31 1HB LYS 31 -3.651 3.182 7.603 260 HG2 LYS 31 2HG LYS 31 -4.472 3.090 5.070 261 HG3 LYS 31 1HG LYS 31 -4.696 1.393 5.498 262 HD2 LYS 31 2HD LYS 31 -6.700 2.111 6.244 263 HD3 LYS 31 1HD LYS 31 -5.774 2.597 7.665 264 HE2 LYS 31 2HE LYS 31 -5.585 4.654 5.698 265 HE3 LYS 31 1HE LYS 31 -7.282 4.222 5.904 266 HZ1 LYS 31 3HZ LYS 31 -5.515 4.768 8.213 267 HZ2 LYS 31 1HZ LYS 31 -7.206 4.743 8.170 268 HZ3 LYS 31 2HZ LYS 31 -6.360 6.002 7.422 269 H LEU 32 H LEU 32 -0.379 2.719 7.942 270 HA LEU 32 HA LEU 32 -0.591 5.344 9.023 271 HB2 LEU 32 2HB LEU 32 0.159 3.246 10.228 272 HB3 LEU 32 1HB LEU 32 1.696 3.419 9.406 273 HG LEU 32 HG LEU 32 1.590 5.850 10.465 274 HD11 LEU 32 1HD1 LEU 32 0.381 6.088 12.392 275 HD12 LEU 32 2HD1 LEU 32 0.313 4.350 12.690 276 HD13 LEU 32 3HD1 LEU 32 -0.717 5.071 11.451 277 HD21 LEU 32 3HD2 LEU 32 3.170 3.785 10.811 278 HD22 LEU 32 1HD2 LEU 32 2.312 3.658 12.347 279 HD23 LEU 32 2HD2 LEU 32 3.187 5.136 11.946 280 H ILE 33 H ILE 33 2.155 3.741 7.396 281 HA ILE 33 HA ILE 33 3.718 6.015 7.045 282 HB ILE 33 HB ILE 33 4.564 3.735 6.705 283 HG12 ILE 33 2HG1 ILE 33 5.916 4.196 4.664 284 HG13 ILE 33 1HG1 ILE 33 4.855 5.553 4.302 285 HG21 ILE 33 1HG2 ILE 33 3.326 3.678 3.985 286 HG22 ILE 33 2HG2 ILE 33 2.430 3.092 5.387 287 HG23 ILE 33 3HG2 ILE 33 3.969 2.351 4.951 288 HD11 ILE 33 3HD1 ILE 33 7.149 5.467 5.978 289 HD12 ILE 33 1HD1 ILE 33 5.743 5.889 6.953 290 HD13 ILE 33 2HD1 ILE 33 6.151 6.849 5.532 291 H ALA 34 H ALA 34 1.234 4.638 4.926 292 HA ALA 34 HA ALA 34 1.625 6.430 2.775 293 HB1 ALA 34 1HB ALA 34 -0.675 4.679 3.591 294 HB2 ALA 34 2HB ALA 34 0.474 4.448 2.273 295 HB3 ALA 34 3HB ALA 34 -0.746 5.717 2.167 296 H ASN 35 H ASN 35 -0.201 6.626 5.747 297 HA ASN 35 HA ASN 35 -1.808 8.855 4.990 298 HB2 ASN 35 2HB ASN 35 -1.316 7.288 7.432 299 HB3 ASN 35 1HB ASN 35 -1.727 8.976 7.720 300 HD21 ASN 35 1HD2 ASN 35 -3.549 7.658 8.743 301 HD22 ASN 35 2HD2 ASN 35 -4.940 7.401 7.750 302 H ALA 36 H ALA 36 1.251 8.490 6.726 303 HA ALA 36 HA ALA 36 1.514 11.294 7.264 304 HB1 ALA 36 1HB ALA 36 3.934 9.614 7.319 305 HB2 ALA 36 2HB ALA 36 2.616 9.101 8.372 306 HB3 ALA 36 3HB ALA 36 3.290 10.723 8.530 307 H LYS 37 H LYS 37 2.394 9.161 4.671 308 HA LYS 37 HA LYS 37 4.402 10.827 3.520 309 HB2 LYS 37 2HB LYS 37 2.923 8.380 2.719 310 HB3 LYS 37 1HB LYS 37 3.623 9.342 1.425 311 HG2 LYS 37 2HG LYS 37 5.704 9.195 3.167 312 HG3 LYS 37 1HG LYS 37 4.917 7.637 3.421 313 HD2 LYS 37 2HD LYS 37 6.478 7.269 1.699 314 HD3 LYS 37 1HD LYS 37 4.917 7.400 0.887 315 HE2 LYS 37 2HE LYS 37 6.509 8.668 -0.366 316 HE3 LYS 37 1HE LYS 37 5.428 9.799 0.445 317 HZ1 LYS 37 3HZ LYS 37 7.067 10.526 1.819 318 HZ2 LYS 37 1HZ LYS 37 8.026 10.099 0.492 319 HZ3 LYS 37 2HZ LYS 37 7.902 9.055 1.818 320 H THR 38 H THR 38 1.400 9.894 1.874 321 HA THR 38 HA THR 38 0.745 12.690 1.414 322 HB THR 38 HB THR 38 0.357 11.925 -1.089 323 HG1 THR 38 1HG THR 38 2.548 10.319 -0.288 324 HG21 THR 38 3HG2 THR 38 1.917 13.427 -1.508 325 HG22 THR 38 1HG2 THR 38 3.179 12.316 -0.959 326 HG23 THR 38 2HG2 THR 38 2.376 13.388 0.195 327 H VAL 39 H VAL 39 -1.384 13.039 1.486 328 HA VAL 39 HA VAL 39 -3.286 11.049 0.633 329 HB VAL 39 HB VAL 39 -4.503 11.030 2.823 330 HG11 VAL 39 1HG1 VAL 39 -1.752 9.857 3.111 331 HG12 VAL 39 2HG1 VAL 39 -2.933 9.218 1.968 332 HG13 VAL 39 3HG1 VAL 39 -3.288 9.217 3.695 333 HG21 VAL 39 3HG2 VAL 39 -2.109 11.619 4.384 334 HG22 VAL 39 1HG2 VAL 39 -3.779 12.123 4.635 335 HG23 VAL 39 2HG2 VAL 39 -2.744 13.018 3.525 336 H GLU 40 H GLU 40 -3.798 12.788 -0.790 337 HA GLU 40 HA GLU 40 -5.503 14.822 0.486 338 HB2 GLU 40 2HB GLU 40 -3.131 15.235 -1.129 339 HB3 GLU 40 1HB GLU 40 -4.543 16.009 -1.851 340 HG2 GLU 40 2HG GLU 40 -3.630 16.404 0.991 341 HG3 GLU 40 1HG GLU 40 -3.269 17.492 -0.350 342 H GLY 41 H GLY 41 -5.676 12.180 -1.261 343 HA2 GLY 41 2HA GLY 41 -7.796 13.266 -3.013 344 HA3 GLY 41 1HA GLY 41 -6.686 12.016 -3.569 345 H VAL 42 H VAL 42 -8.073 10.353 -3.899 346 HA VAL 42 HA VAL 42 -9.885 9.590 -1.722 347 HB VAL 42 HB VAL 42 -10.889 9.813 -3.955 348 HG11 VAL 42 1HG1 VAL 42 -8.952 7.633 -4.705 349 HG12 VAL 42 2HG1 VAL 42 -9.032 9.263 -5.367 350 HG13 VAL 42 3HG1 VAL 42 -10.333 8.116 -5.689 351 HG21 VAL 42 3HG2 VAL 42 -11.551 8.036 -2.183 352 HG22 VAL 42 1HG2 VAL 42 -10.896 6.888 -3.351 353 HG23 VAL 42 2HG2 VAL 42 -12.236 7.940 -3.806 354 H TRP 43 H TRP 43 -9.863 7.553 -0.807 355 HA TRP 43 HA TRP 43 -7.359 6.067 -1.196 356 HB2 TRP 43 2HB TRP 43 -9.127 6.573 1.138 357 HB3 TRP 43 1HB TRP 43 -8.336 4.995 1.062 358 HD1 TRP 43 HD TRP 43 -7.293 8.738 0.856 359 HE1 TRP 43 1HE TRP 43 -4.990 8.972 1.981 360 HE3 TRP 43 3HE TRP 43 -6.425 3.822 1.965 361 HZ2 TRP 43 2HZ TRP 43 -3.060 7.295 3.178 362 HZ3 TRP 43 3HZ TRP 43 -4.326 3.222 3.098 363 HH2 TRP 43 HH TRP 43 -2.679 4.923 3.692 364 H THR 44 H THR 44 -7.489 4.302 -2.396 365 HA THR 44 HA THR 44 -10.021 2.797 -2.428 366 HB THR 44 HB THR 44 -9.556 3.605 -4.622 367 HG1 THR 44 1HG THR 44 -8.600 0.939 -4.549 368 HG21 THR 44 3HG2 THR 44 -6.800 3.185 -3.913 369 HG22 THR 44 1HG2 THR 44 -7.497 4.146 -5.218 370 HG23 THR 44 2HG2 THR 44 -7.186 2.426 -5.459 371 H TYR 45 H TYR 45 -9.891 0.474 -2.524 372 HA TYR 45 HA TYR 45 -7.346 -0.655 -1.587 373 HB2 TYR 45 2HB TYR 45 -8.704 -0.313 0.403 374 HB3 TYR 45 1HB TYR 45 -10.065 -1.148 -0.350 375 HD1 TYR 45 1HD TYR 45 -6.433 -1.865 0.236 376 HD2 TYR 45 2HD TYR 45 -10.440 -3.258 0.472 377 HE1 TYR 45 1HE TYR 45 -5.631 -3.996 1.163 378 HE2 TYR 45 2HE TYR 45 -9.654 -5.395 1.399 379 HH TYR 45 HH TYR 45 -6.358 -6.298 1.388 380 H LYS 46 H LYS 46 -7.072 -2.900 -1.985 381 HA LYS 46 HA LYS 46 -8.936 -4.021 -3.972 382 HB2 LYS 46 2HB LYS 46 -6.019 -3.604 -4.116 383 HB3 LYS 46 1HB LYS 46 -6.568 -5.197 -4.632 384 HG2 LYS 46 2HG LYS 46 -7.146 -4.363 -6.595 385 HG3 LYS 46 1HG LYS 46 -8.285 -3.272 -5.804 386 HD2 LYS 46 2HD LYS 46 -6.449 -1.660 -5.452 387 HD3 LYS 46 1HD LYS 46 -5.359 -2.742 -6.320 388 HE2 LYS 46 2HE LYS 46 -7.120 -2.585 -8.217 389 HE3 LYS 46 1HE LYS 46 -7.665 -1.143 -7.360 390 HZ1 LYS 46 3HZ LYS 46 -4.819 -1.485 -8.053 391 HZ2 LYS 46 1HZ LYS 46 -5.678 -0.058 -7.754 392 HZ3 LYS 46 2HZ LYS 46 -5.914 -0.900 -9.201 393 H ASP 47 H ASP 47 -9.895 -5.746 -3.149 394 HA ASP 47 HA ASP 47 -8.572 -7.293 -1.058 395 HB2 ASP 47 2HB ASP 47 -10.789 -8.349 -0.749 396 HB3 ASP 47 1HB ASP 47 -10.851 -6.591 -0.607 397 H GLU 48 H GLU 48 -7.708 -7.484 -3.852 398 HA GLU 48 HA GLU 48 -8.592 -10.134 -4.671 399 HB2 GLU 48 2HB GLU 48 -6.679 -8.187 -5.969 400 HB3 GLU 48 1HB GLU 48 -7.161 -9.731 -6.658 401 HG2 GLU 48 2HG GLU 48 -9.053 -7.483 -6.012 402 HG3 GLU 48 1HG GLU 48 -8.364 -7.792 -7.605 403 H ILE 49 H ILE 49 -5.613 -8.473 -3.711 404 HA ILE 49 HA ILE 49 -4.563 -10.994 -2.706 405 HB ILE 49 HB ILE 49 -2.314 -10.483 -3.767 406 HG12 ILE 49 2HG1 ILE 49 -3.037 -8.153 -4.481 407 HG13 ILE 49 1HG1 ILE 49 -2.206 -9.108 -5.703 408 HG21 ILE 49 1HG2 ILE 49 -3.534 -12.380 -4.497 409 HG22 ILE 49 2HG2 ILE 49 -2.985 -11.540 -5.947 410 HG23 ILE 49 3HG2 ILE 49 -4.660 -11.385 -5.419 411 HD11 ILE 49 3HD1 ILE 49 -3.897 -8.815 -7.089 412 HD12 ILE 49 1HD1 ILE 49 -4.718 -7.842 -5.869 413 HD13 ILE 49 2HD1 ILE 49 -4.994 -9.582 -5.939 414 H LYS 50 H LYS 50 -5.519 -8.528 -1.505 415 HA LYS 50 HA LYS 50 -4.980 -7.114 0.193 416 HB2 LYS 50 2HB LYS 50 -2.856 -9.191 0.328 417 HB3 LYS 50 1HB LYS 50 -2.589 -7.711 1.239 418 HG2 LYS 50 2HG LYS 50 -3.599 -9.275 2.705 419 HG3 LYS 50 1HG LYS 50 -4.822 -8.068 2.308 420 HD2 LYS 50 2HD LYS 50 -5.162 -9.975 0.348 421 HD3 LYS 50 1HD LYS 50 -4.778 -10.934 1.779 422 HE2 LYS 50 2HE LYS 50 -6.720 -10.424 2.798 423 HE3 LYS 50 1HE LYS 50 -6.698 -8.756 2.224 424 HZ1 LYS 50 3HZ LYS 50 -7.668 -11.168 0.813 425 HZ2 LYS 50 1HZ LYS 50 -7.302 -9.741 -0.019 426 HZ3 LYS 50 2HZ LYS 50 -8.511 -9.744 1.165 427 H THR 51 H THR 51 -4.833 -5.406 -1.393 428 HA THR 51 HA THR 51 -2.167 -4.238 -1.429 429 HB THR 51 HB THR 51 -2.500 -3.628 -3.878 430 HG1 THR 51 1HG THR 51 -4.425 -5.694 -3.641 431 HG21 THR 51 3HG2 THR 51 -2.255 -6.589 -3.532 432 HG22 THR 51 1HG2 THR 51 -0.988 -5.484 -3.003 433 HG23 THR 51 2HG2 THR 51 -1.459 -5.537 -4.702 434 H PHE 52 H PHE 52 -2.500 -2.376 -0.421 435 HA PHE 52 HA PHE 52 -4.987 -0.903 -0.772 436 HB2 PHE 52 2HB PHE 52 -2.888 -1.035 1.235 437 HB3 PHE 52 1HB PHE 52 -3.250 0.632 0.799 438 HD1 PHE 52 1HD PHE 52 -5.989 0.896 0.466 439 HD2 PHE 52 2HD PHE 52 -3.954 -1.723 3.135 440 HE1 PHE 52 1HE PHE 52 -7.969 0.850 1.925 441 HE2 PHE 52 2HE PHE 52 -5.932 -1.774 4.595 442 HZ PHE 52 HZ PHE 52 -7.942 -0.487 3.993 443 H THR 53 H THR 53 -5.048 1.296 -1.532 444 HA THR 53 HA THR 53 -2.632 2.278 -2.837 445 HB THR 53 HB THR 53 -4.135 2.781 -4.895 446 HG1 THR 53 1HG THR 53 -5.491 0.524 -3.851 447 HG21 THR 53 3HG2 THR 53 -3.506 0.790 -5.989 448 HG22 THR 53 1HG2 THR 53 -3.428 -0.104 -4.471 449 HG23 THR 53 2HG2 THR 53 -2.232 1.145 -4.822 450 H VAL 54 H VAL 54 -2.632 4.491 -3.278 451 HA VAL 54 HA VAL 54 -4.912 6.019 -2.233 452 HB VAL 54 HB VAL 54 -2.007 6.618 -1.645 453 HG11 VAL 54 1HG1 VAL 54 -3.403 8.628 -1.913 454 HG12 VAL 54 2HG1 VAL 54 -2.847 8.422 -0.253 455 HG13 VAL 54 3HG1 VAL 54 -4.507 8.011 -0.685 456 HG21 VAL 54 3HG2 VAL 54 -4.213 5.602 0.144 457 HG22 VAL 54 1HG2 VAL 54 -2.630 6.145 0.700 458 HG23 VAL 54 2HG2 VAL 54 -2.760 4.730 -0.343 459 H THR 55 H THR 55 -5.640 6.775 -4.139 460 HA THR 55 HA THR 55 -3.774 7.952 -6.052 461 HB THR 55 HB THR 55 -6.754 7.470 -6.253 462 HG1 THR 55 1HG THR 55 -6.025 5.513 -6.516 463 HG21 THR 55 3HG2 THR 55 -6.432 7.756 -8.673 464 HG22 THR 55 1HG2 THR 55 -4.782 8.298 -8.368 465 HG23 THR 55 2HG2 THR 55 -6.145 9.238 -7.762 466 H GLU 56 H GLU 56 -4.315 10.041 -7.040 467 HA GLU 56 HA GLU 56 -5.879 11.854 -5.371 468 HB2 GLU 56 2HB GLU 56 -3.407 11.794 -4.639 469 HB3 GLU 56 1HB GLU 56 -3.081 12.634 -6.151 470 HG2 GLU 56 2HG GLU 56 -5.236 13.884 -4.694 471 HG3 GLU 56 1HG GLU 56 -3.770 13.771 -3.721 Start of MODEL 19 1 H1 THR 1 1HT THR 1 0.525 -11.847 5.300 2 H2 THR 1 2HT THR 1 2.165 -12.321 5.120 3 H3 THR 1 3HT THR 1 0.934 -13.511 5.245 4 HA THR 1 HA THR 1 1.469 -13.442 3.028 5 HB THR 1 HB THR 1 -0.879 -11.564 3.297 6 HG1 THR 1 1HG THR 1 -2.105 -13.460 3.694 7 HG21 THR 1 3HG2 THR 1 -0.385 -13.868 1.426 8 HG22 THR 1 1HG2 THR 1 -0.299 -12.156 1.010 9 HG23 THR 1 2HG2 THR 1 -1.838 -12.871 1.489 10 H THR 2 H THR 2 1.753 -12.228 1.027 11 HA THR 2 HA THR 2 3.385 -9.901 1.454 12 HB THR 2 HB THR 2 3.662 -9.981 -1.036 13 HG1 THR 2 1HG THR 2 2.721 -11.645 -2.157 14 HG21 THR 2 3HG2 THR 2 5.302 -11.182 0.138 15 HG22 THR 2 1HG2 THR 2 4.718 -12.268 -1.124 16 HG23 THR 2 2HG2 THR 2 4.177 -12.478 0.542 17 H TYR 3 H TYR 3 2.729 -7.861 1.437 18 HA TYR 3 HA TYR 3 0.119 -7.246 0.220 19 HB2 TYR 3 2HB TYR 3 1.269 -6.579 2.772 20 HB3 TYR 3 1HB TYR 3 0.917 -5.104 1.880 21 HD1 TYR 3 1HD TYR 3 -0.588 -8.244 3.152 22 HD2 TYR 3 2HD TYR 3 -1.300 -4.323 1.660 23 HE1 TYR 3 1HE TYR 3 -2.953 -8.439 3.786 24 HE2 TYR 3 2HE TYR 3 -3.669 -4.507 2.293 25 HH TYR 3 HH TYR 3 -5.016 -5.863 4.013 26 H LYS 4 H LYS 4 -0.095 -5.504 -1.156 27 HA LYS 4 HA LYS 4 2.401 -4.150 -1.948 28 HB2 LYS 4 2HB LYS 4 0.262 -5.364 -3.684 29 HB3 LYS 4 1HB LYS 4 1.334 -4.111 -4.291 30 HG2 LYS 4 2HG LYS 4 2.677 -5.782 -4.884 31 HG3 LYS 4 1HG LYS 4 3.086 -5.893 -3.172 32 HD2 LYS 4 2HD LYS 4 2.424 -8.032 -3.392 33 HD3 LYS 4 1HD LYS 4 0.801 -7.354 -3.255 34 HE2 LYS 4 2HE LYS 4 0.442 -7.441 -5.561 35 HE3 LYS 4 1HE LYS 4 2.163 -7.587 -5.915 36 HZ1 LYS 4 3HZ LYS 4 2.174 -9.804 -5.411 37 HZ2 LYS 4 1HZ LYS 4 0.613 -9.653 -6.046 38 HZ3 LYS 4 2HZ LYS 4 0.843 -9.707 -4.371 39 H LEU 5 H LEU 5 2.202 -1.979 -2.645 40 HA LEU 5 HA LEU 5 -0.434 -0.763 -2.175 41 HB2 LEU 5 2HB LEU 5 1.667 -0.513 -0.443 42 HB3 LEU 5 1HB LEU 5 1.856 0.911 -1.453 43 HG LEU 5 HG LEU 5 -0.602 1.398 -0.956 44 HD11 LEU 5 1HD1 LEU 5 -0.053 -0.794 1.015 45 HD12 LEU 5 2HD1 LEU 5 -1.402 -0.628 -0.105 46 HD13 LEU 5 3HD1 LEU 5 -1.287 0.434 1.298 47 HD21 LEU 5 3HD2 LEU 5 1.773 2.002 0.430 48 HD22 LEU 5 1HD2 LEU 5 0.538 1.702 1.653 49 HD23 LEU 5 2HD2 LEU 5 0.267 2.919 0.407 50 H ILE 6 H ILE 6 -0.968 1.007 -3.382 51 HA ILE 6 HA ILE 6 0.976 2.032 -5.284 52 HB ILE 6 HB ILE 6 -1.676 1.690 -6.498 53 HG12 ILE 6 2HG1 ILE 6 0.096 -0.729 -6.068 54 HG13 ILE 6 1HG1 ILE 6 -1.471 -0.469 -5.308 55 HG21 ILE 6 1HG2 ILE 6 0.622 2.505 -7.453 56 HG22 ILE 6 2HG2 ILE 6 -0.491 1.573 -8.454 57 HG23 ILE 6 3HG2 ILE 6 0.891 0.780 -7.698 58 HD11 ILE 6 3HD1 ILE 6 -1.598 -2.004 -7.204 59 HD12 ILE 6 1HD1 ILE 6 -0.997 -0.731 -8.267 60 HD13 ILE 6 2HD1 ILE 6 -2.559 -0.549 -7.469 61 H LEU 7 H LEU 7 1.050 4.094 -4.560 62 HA LEU 7 HA LEU 7 -1.527 5.478 -4.273 63 HB2 LEU 7 2HB LEU 7 0.019 7.043 -2.762 64 HB3 LEU 7 1HB LEU 7 -0.886 5.676 -2.128 65 HG LEU 7 HG LEU 7 1.430 5.817 -1.269 66 HD11 LEU 7 1HD1 LEU 7 1.544 3.593 -1.072 67 HD12 LEU 7 2HD1 LEU 7 1.558 3.335 -2.815 68 HD13 LEU 7 3HD1 LEU 7 0.030 3.605 -1.977 69 HD21 LEU 7 3HD2 LEU 7 2.153 6.504 -3.781 70 HD22 LEU 7 1HD2 LEU 7 2.607 4.800 -3.759 71 HD23 LEU 7 2HD2 LEU 7 3.266 5.904 -2.553 72 H ASN 8 H ASN 8 -1.810 7.483 -5.087 73 HA ASN 8 HA ASN 8 0.331 8.463 -6.862 74 HB2 ASN 8 2HB ASN 8 -1.878 7.632 -7.877 75 HB3 ASN 8 1HB ASN 8 -2.604 9.080 -7.181 76 HD21 ASN 8 1HD2 ASN 8 -1.430 11.138 -7.736 77 HD22 ASN 8 2HD2 ASN 8 -0.888 11.307 -9.368 78 H LEU 9 H LEU 9 1.079 10.486 -6.579 79 HA LEU 9 HA LEU 9 -0.478 12.341 -4.923 80 HB2 LEU 9 2HB LEU 9 1.997 12.999 -4.106 81 HB3 LEU 9 1HB LEU 9 0.951 11.875 -3.241 82 HG LEU 9 HG LEU 9 2.810 10.789 -5.308 83 HD11 LEU 9 1HD1 LEU 9 4.258 12.251 -4.060 84 HD12 LEU 9 2HD1 LEU 9 4.565 10.587 -3.581 85 HD13 LEU 9 3HD1 LEU 9 3.619 11.645 -2.534 86 HD21 LEU 9 3HD2 LEU 9 0.984 9.618 -3.747 87 HD22 LEU 9 1HD2 LEU 9 2.367 9.565 -2.654 88 HD23 LEU 9 2HD2 LEU 9 2.473 8.817 -4.247 89 H LYS 10 H LYS 10 2.798 12.495 -6.300 90 HA LYS 10 HA LYS 10 2.608 15.113 -7.202 91 HB2 LYS 10 2HB LYS 10 4.720 13.827 -6.980 92 HB3 LYS 10 1HB LYS 10 4.282 12.909 -8.411 93 HG2 LYS 10 2HG LYS 10 4.080 15.573 -9.186 94 HG3 LYS 10 1HG LYS 10 5.544 15.484 -8.206 95 HD2 LYS 10 2HD LYS 10 6.608 14.106 -9.679 96 HD3 LYS 10 1HD LYS 10 5.109 13.351 -10.224 97 HE2 LYS 10 2HE LYS 10 4.808 15.938 -11.062 98 HE3 LYS 10 1HE LYS 10 6.539 15.680 -11.269 99 HZ1 LYS 10 3HZ LYS 10 4.823 13.545 -12.227 100 HZ2 LYS 10 1HZ LYS 10 6.206 14.223 -12.928 101 HZ3 LYS 10 2HZ LYS 10 4.714 14.998 -13.082 102 H GLN 11 H GLN 11 2.671 12.298 -9.391 103 HA GLN 11 HA GLN 11 0.465 13.435 -10.921 104 HB2 GLN 11 2HB GLN 11 2.682 14.312 -11.825 105 HB3 GLN 11 1HB GLN 11 3.023 12.657 -12.317 106 HG2 GLN 11 2HG GLN 11 1.915 13.004 -14.192 107 HG3 GLN 11 1HG GLN 11 0.442 13.267 -13.259 108 HE21 GLN 11 1HE2 GLN 11 -0.432 15.242 -13.221 109 HE22 GLN 11 2HE2 GLN 11 0.281 16.658 -13.904 110 H ALA 12 H ALA 12 2.920 10.849 -10.959 111 HA ALA 12 HA ALA 12 0.866 8.976 -11.881 112 HB1 ALA 12 1HB ALA 12 2.612 8.544 -13.255 113 HB2 ALA 12 2HB ALA 12 3.103 7.500 -11.919 114 HB3 ALA 12 3HB ALA 12 3.810 9.106 -12.088 115 H LYS 13 H LYS 13 1.029 6.724 -10.933 116 HA LYS 13 HA LYS 13 0.826 6.950 -8.061 117 HB2 LYS 13 2HB LYS 13 0.048 4.613 -8.162 118 HB3 LYS 13 1HB LYS 13 -0.841 5.652 -9.266 119 HG2 LYS 13 2HG LYS 13 1.479 4.406 -10.504 120 HG3 LYS 13 1HG LYS 13 0.310 3.239 -9.887 121 HD2 LYS 13 2HD LYS 13 -1.435 4.752 -11.078 122 HD3 LYS 13 1HD LYS 13 -0.041 5.348 -11.981 123 HE2 LYS 13 2HE LYS 13 0.207 3.418 -13.129 124 HE3 LYS 13 1HE LYS 13 -0.264 2.419 -11.754 125 HZ1 LYS 13 3HZ LYS 13 -1.791 2.699 -13.869 126 HZ2 LYS 13 1HZ LYS 13 -2.341 4.046 -13.006 127 HZ3 LYS 13 2HZ LYS 13 -2.443 2.504 -12.320 128 H GLU 14 H GLU 14 1.890 5.468 -6.582 129 HA GLU 14 HA GLU 14 4.597 4.757 -7.519 130 HB2 GLU 14 2HB GLU 14 3.662 6.231 -5.204 131 HB3 GLU 14 1HB GLU 14 4.648 4.851 -4.721 132 HG2 GLU 14 2HG GLU 14 5.494 6.924 -6.733 133 HG3 GLU 14 1HG GLU 14 5.917 6.959 -5.021 134 H GLU 15 H GLU 15 5.609 2.944 -6.205 135 HA GLU 15 HA GLU 15 3.574 0.924 -5.527 136 HB2 GLU 15 2HB GLU 15 5.540 0.859 -7.620 137 HB3 GLU 15 1HB GLU 15 5.877 -0.421 -6.464 138 HG2 GLU 15 2HG GLU 15 3.548 -1.196 -6.692 139 HG3 GLU 15 1HG GLU 15 3.286 0.041 -7.921 140 H ALA 16 H ALA 16 4.224 -0.707 -4.028 141 HA ALA 16 HA ALA 16 6.719 -0.454 -2.611 142 HB1 ALA 16 1HB ALA 16 5.198 -0.227 -0.413 143 HB2 ALA 16 2HB ALA 16 4.227 0.718 -1.541 144 HB3 ALA 16 3HB ALA 16 5.909 1.157 -1.243 145 H ILE 17 H ILE 17 7.265 -2.331 -1.606 146 HA ILE 17 HA ILE 17 5.236 -4.469 -1.624 147 HB ILE 17 HB ILE 17 7.303 -5.998 -1.584 148 HG12 ILE 17 2HG1 ILE 17 8.728 -3.783 -2.980 149 HG13 ILE 17 1HG1 ILE 17 8.729 -3.775 -1.219 150 HG21 ILE 17 1HG2 ILE 17 5.688 -5.288 -3.540 151 HG22 ILE 17 2HG2 ILE 17 7.122 -6.269 -3.845 152 HG23 ILE 17 3HG2 ILE 17 7.155 -4.535 -4.168 153 HD11 ILE 17 3HD1 ILE 17 10.447 -5.162 -1.291 154 HD12 ILE 17 1HD1 ILE 17 10.290 -5.344 -3.038 155 HD13 ILE 17 2HD1 ILE 17 9.370 -6.390 -1.957 156 H LYS 18 H LYS 18 4.557 -5.131 0.289 157 HA LYS 18 HA LYS 18 6.432 -5.281 2.522 158 HB2 LYS 18 2HB LYS 18 4.728 -3.153 2.354 159 HB3 LYS 18 1HB LYS 18 3.769 -4.289 3.292 160 HG2 LYS 18 2HG LYS 18 4.948 -2.947 4.835 161 HG3 LYS 18 1HG LYS 18 5.739 -4.524 4.830 162 HD2 LYS 18 2HD LYS 18 7.676 -3.603 4.238 163 HD3 LYS 18 1HD LYS 18 6.927 -2.835 2.837 164 HE2 LYS 18 2HE LYS 18 6.778 -0.840 3.859 165 HE3 LYS 18 1HE LYS 18 6.299 -1.555 5.398 166 HZ1 LYS 18 3HZ LYS 18 8.603 -0.372 5.106 167 HZ2 LYS 18 1HZ LYS 18 9.073 -1.889 4.522 168 HZ3 LYS 18 2HZ LYS 18 8.447 -1.742 6.086 169 H GLU 19 H GLU 19 6.375 -7.349 3.090 170 HA GLU 19 HA GLU 19 3.807 -8.772 3.027 171 HB2 GLU 19 2HB GLU 19 5.502 -9.746 1.558 172 HB3 GLU 19 1HB GLU 19 6.629 -9.857 2.902 173 HG2 GLU 19 2HG GLU 19 4.749 -11.307 3.985 174 HG3 GLU 19 1HG GLU 19 4.211 -11.494 2.318 175 H LEU 20 H LEU 20 2.938 -8.641 4.980 176 HA LEU 20 HA LEU 20 4.631 -8.921 7.352 177 HB2 LEU 20 2HB LEU 20 2.060 -7.622 6.758 178 HB3 LEU 20 1HB LEU 20 2.117 -8.446 8.305 179 HG LEU 20 HG LEU 20 4.324 -7.114 8.659 180 HD11 LEU 20 1HD1 LEU 20 4.732 -5.260 7.392 181 HD12 LEU 20 2HD1 LEU 20 3.046 -5.085 6.902 182 HD13 LEU 20 3HD1 LEU 20 4.056 -6.325 6.160 183 HD21 LEU 20 3HD2 LEU 20 2.673 -5.028 9.131 184 HD22 LEU 20 1HD2 LEU 20 2.796 -6.448 10.172 185 HD23 LEU 20 2HD2 LEU 20 1.504 -6.339 8.977 186 H VAL 21 H VAL 21 3.029 -9.960 9.216 187 HA VAL 21 HA VAL 21 3.002 -12.734 8.564 188 HB VAL 21 HB VAL 21 2.053 -13.041 10.841 189 HG11 VAL 21 1HG1 VAL 21 4.323 -11.124 11.111 190 HG12 VAL 21 2HG1 VAL 21 4.556 -12.622 10.210 191 HG13 VAL 21 3HG1 VAL 21 4.062 -12.679 11.903 192 HG21 VAL 21 3HG2 VAL 21 0.826 -11.351 11.636 193 HG22 VAL 21 1HG2 VAL 21 1.565 -10.183 10.542 194 HG23 VAL 21 2HG2 VAL 21 2.362 -10.595 12.060 195 H ASP 22 H ASP 22 0.531 -10.244 8.834 196 HA ASP 22 HA ASP 22 -1.401 -12.141 7.719 197 HB2 ASP 22 2HB ASP 22 -2.148 -10.152 9.868 198 HB3 ASP 22 1HB ASP 22 -3.122 -11.475 9.231 199 H ALA 23 H ALA 23 -3.494 -10.039 7.965 200 HA ALA 23 HA ALA 23 -2.548 -8.259 5.819 201 HB1 ALA 23 1HB ALA 23 -4.759 -8.290 4.878 202 HB2 ALA 23 2HB ALA 23 -5.367 -9.244 6.232 203 HB3 ALA 23 3HB ALA 23 -4.212 -9.951 5.102 204 H GLY 24 H GLY 24 -3.559 -8.335 9.002 205 HA2 GLY 24 2HA GLY 24 -4.935 -5.771 8.958 206 HA3 GLY 24 1HA GLY 24 -4.683 -6.796 10.364 207 H THR 25 H THR 25 -2.165 -7.100 10.774 208 HA THR 25 HA THR 25 -1.174 -4.750 11.800 209 HB THR 25 HB THR 25 1.137 -5.978 11.470 210 HG1 THR 25 1HG THR 25 0.105 -7.436 9.897 211 HG21 THR 25 3HG2 THR 25 0.790 -6.415 13.597 212 HG22 THR 25 1HG2 THR 25 -0.166 -7.821 13.135 213 HG23 THR 25 2HG2 THR 25 -0.953 -6.264 13.378 214 H ALA 26 H ALA 26 -0.976 -5.969 8.554 215 HA ALA 26 HA ALA 26 0.947 -3.971 7.712 216 HB1 ALA 26 1HB ALA 26 0.433 -6.468 6.805 217 HB2 ALA 26 2HB ALA 26 1.224 -5.214 5.850 218 HB3 ALA 26 3HB ALA 26 -0.505 -5.506 5.661 219 H GLU 27 H GLU 27 -2.500 -4.579 7.645 220 HA GLU 27 HA GLU 27 -3.328 -2.751 5.715 221 HB2 GLU 27 2HB GLU 27 -4.578 -4.380 7.564 222 HB3 GLU 27 1HB GLU 27 -5.026 -2.769 8.100 223 HG2 GLU 27 2HG GLU 27 -6.359 -2.404 6.337 224 HG3 GLU 27 1HG GLU 27 -5.290 -3.246 5.216 225 H LYS 28 H LYS 28 -2.470 -2.262 9.086 226 HA LYS 28 HA LYS 28 -3.085 0.568 8.983 227 HB2 LYS 28 2HB LYS 28 -1.921 -1.190 11.141 228 HB3 LYS 28 1HB LYS 28 -2.174 0.539 11.327 229 HG2 LYS 28 2HG LYS 28 -4.600 -0.560 10.389 230 HG3 LYS 28 1HG LYS 28 -4.021 -1.597 11.694 231 HD2 LYS 28 2HD LYS 28 -3.769 0.389 13.127 232 HD3 LYS 28 1HD LYS 28 -4.407 1.395 11.830 233 HE2 LYS 28 2HE LYS 28 -6.383 1.054 12.840 234 HE3 LYS 28 1HE LYS 28 -6.335 -0.502 12.007 235 HZ1 LYS 28 3HZ LYS 28 -5.677 -1.594 13.929 236 HZ2 LYS 28 1HZ LYS 28 -6.792 -0.465 14.513 237 HZ3 LYS 28 2HZ LYS 28 -5.133 -0.182 14.690 238 H TYR 29 H TYR 29 -0.190 -1.474 9.278 239 HA TYR 29 HA TYR 29 1.730 0.499 9.545 240 HB2 TYR 29 2HB TYR 29 1.889 -2.143 9.447 241 HB3 TYR 29 1HB TYR 29 2.321 -1.828 7.765 242 HD1 TYR 29 1HD TYR 29 4.291 -0.278 7.311 243 HD2 TYR 29 2HD TYR 29 3.479 -1.915 11.154 244 HE1 TYR 29 1HE TYR 29 6.608 0.183 7.990 245 HE2 TYR 29 2HE TYR 29 5.794 -1.456 11.845 246 HH TYR 29 HH TYR 29 8.064 -1.171 10.605 247 H PHE 30 H PHE 30 0.110 -0.651 6.639 248 HA PHE 30 HA PHE 30 1.724 0.988 4.894 249 HB2 PHE 30 2HB PHE 30 -0.119 -1.203 4.597 250 HB3 PHE 30 1HB PHE 30 -0.591 0.115 3.525 251 HD1 PHE 30 1HD PHE 30 2.209 1.184 2.998 252 HD2 PHE 30 2HD PHE 30 0.600 -2.755 2.990 253 HE1 PHE 30 1HE PHE 30 3.931 0.490 1.385 254 HE2 PHE 30 2HE PHE 30 2.318 -3.459 1.374 255 HZ PHE 30 HZ PHE 30 3.987 -1.835 0.571 256 H LYS 31 H LYS 31 -1.422 1.131 6.429 257 HA LYS 31 HA LYS 31 -2.386 3.350 4.915 258 HB2 LYS 31 2HB LYS 31 -3.820 1.696 6.151 259 HB3 LYS 31 1HB LYS 31 -3.301 2.454 7.649 260 HG2 LYS 31 2HG LYS 31 -4.475 4.398 7.230 261 HG3 LYS 31 1HG LYS 31 -4.533 4.107 5.490 262 HD2 LYS 31 2HD LYS 31 -5.861 1.932 6.598 263 HD3 LYS 31 1HD LYS 31 -6.390 3.309 7.569 264 HE2 LYS 31 2HE LYS 31 -7.330 4.395 5.749 265 HE3 LYS 31 1HE LYS 31 -6.350 3.504 4.585 266 HZ1 LYS 31 3HZ LYS 31 -8.248 2.361 4.305 267 HZ2 LYS 31 1HZ LYS 31 -8.872 2.779 5.822 268 HZ3 LYS 31 2HZ LYS 31 -7.747 1.523 5.686 269 H LEU 32 H LEU 32 -0.832 3.005 8.079 270 HA LEU 32 HA LEU 32 -1.003 5.780 8.714 271 HB2 LEU 32 2HB LEU 32 0.152 5.278 10.668 272 HB3 LEU 32 1HB LEU 32 -0.777 3.828 10.331 273 HG LEU 32 HG LEU 32 1.428 3.008 9.196 274 HD11 LEU 32 1HD1 LEU 32 3.277 4.209 9.464 275 HD12 LEU 32 2HD1 LEU 32 2.979 4.404 11.189 276 HD13 LEU 32 3HD1 LEU 32 2.253 5.525 10.038 277 HD21 LEU 32 3HD2 LEU 32 1.972 1.853 11.148 278 HD22 LEU 32 1HD2 LEU 32 0.260 2.225 11.334 279 HD23 LEU 32 2HD2 LEU 32 1.471 3.187 12.183 280 H ILE 33 H ILE 33 1.568 3.708 7.416 281 HA ILE 33 HA ILE 33 3.613 5.620 7.427 282 HB ILE 33 HB ILE 33 4.017 3.227 7.034 283 HG12 ILE 33 2HG1 ILE 33 5.655 3.509 5.144 284 HG13 ILE 33 1HG1 ILE 33 4.977 5.111 4.872 285 HG21 ILE 33 1HG2 ILE 33 2.041 2.906 5.538 286 HG22 ILE 33 2HG2 ILE 33 3.531 2.161 4.959 287 HG23 ILE 33 3HG2 ILE 33 2.966 3.674 4.248 288 HD11 ILE 33 3HD1 ILE 33 6.859 4.185 6.894 289 HD12 ILE 33 1HD1 ILE 33 5.552 5.178 7.537 290 HD13 ILE 33 2HD1 ILE 33 6.582 5.804 6.250 291 H ALA 34 H ALA 34 1.241 4.813 4.902 292 HA ALA 34 HA ALA 34 2.208 6.586 2.949 293 HB1 ALA 34 1HB ALA 34 0.741 4.968 2.154 294 HB2 ALA 34 2HB ALA 34 -0.228 6.441 2.111 295 HB3 ALA 34 3HB ALA 34 -0.446 5.279 3.421 296 H ASN 35 H ASN 35 -0.563 6.980 5.168 297 HA ASN 35 HA ASN 35 -1.198 9.600 4.511 298 HB2 ASN 35 2HB ASN 35 -2.262 7.793 6.193 299 HB3 ASN 35 1HB ASN 35 -1.462 8.835 7.366 300 HD21 ASN 35 1HD2 ASN 35 -4.296 8.290 5.898 301 HD22 ASN 35 2HD2 ASN 35 -4.982 9.874 5.948 302 H ALA 36 H ALA 36 1.404 8.371 6.457 303 HA ALA 36 HA ALA 36 2.016 10.977 7.587 304 HB1 ALA 36 1HB ALA 36 2.941 8.205 8.021 305 HB2 ALA 36 2HB ALA 36 2.577 9.478 9.186 306 HB3 ALA 36 3HB ALA 36 4.114 9.486 8.323 307 H LYS 37 H LYS 37 3.042 8.937 4.962 308 HA LYS 37 HA LYS 37 5.536 10.244 4.494 309 HB2 LYS 37 2HB LYS 37 4.052 8.044 3.370 310 HB3 LYS 37 1HB LYS 37 4.660 9.076 2.084 311 HG2 LYS 37 2HG LYS 37 6.519 8.282 4.264 312 HG3 LYS 37 1HG LYS 37 6.089 7.091 3.036 313 HD2 LYS 37 2HD LYS 37 7.837 8.003 1.932 314 HD3 LYS 37 1HD LYS 37 6.638 9.211 1.467 315 HE2 LYS 37 2HE LYS 37 7.416 10.270 3.791 316 HE3 LYS 37 1HE LYS 37 8.894 9.401 3.380 317 HZ1 LYS 37 3HZ LYS 37 9.340 10.788 1.687 318 HZ2 LYS 37 1HZ LYS 37 8.338 11.861 2.527 319 HZ3 LYS 37 2HZ LYS 37 7.720 10.962 1.235 320 H THR 38 H THR 38 2.915 10.072 2.110 321 HA THR 38 HA THR 38 2.372 12.826 1.991 322 HB THR 38 HB THR 38 3.576 12.777 -0.486 323 HG1 THR 38 1HG THR 38 4.698 10.836 0.335 324 HG21 THR 38 3HG2 THR 38 4.076 14.742 0.410 325 HG22 THR 38 1HG2 THR 38 5.510 13.945 1.051 326 HG23 THR 38 2HG2 THR 38 4.068 14.104 2.053 327 H VAL 39 H VAL 39 0.311 11.779 1.894 328 HA VAL 39 HA VAL 39 -0.599 11.401 -0.811 329 HB VAL 39 HB VAL 39 -1.703 9.199 -0.287 330 HG11 VAL 39 1HG1 VAL 39 0.175 7.908 -0.973 331 HG12 VAL 39 2HG1 VAL 39 1.305 9.082 -0.300 332 HG13 VAL 39 3HG1 VAL 39 0.337 9.500 -1.713 333 HG21 VAL 39 3HG2 VAL 39 -0.740 9.672 2.262 334 HG22 VAL 39 1HG2 VAL 39 0.328 8.418 1.636 335 HG23 VAL 39 2HG2 VAL 39 -1.416 8.157 1.665 336 H GLU 40 H GLU 40 -2.447 12.486 -0.917 337 HA GLU 40 HA GLU 40 -4.404 12.219 1.232 338 HB2 GLU 40 2HB GLU 40 -2.835 14.600 0.723 339 HB3 GLU 40 1HB GLU 40 -4.559 14.919 0.530 340 HG2 GLU 40 2HG GLU 40 -3.824 13.381 2.923 341 HG3 GLU 40 1HG GLU 40 -3.236 15.044 2.875 342 H GLY 41 H GLY 41 -5.972 11.261 0.062 343 HA2 GLY 41 2HA GLY 41 -7.553 12.753 -1.708 344 HA3 GLY 41 1HA GLY 41 -6.504 11.705 -2.658 345 H VAL 42 H VAL 42 -7.686 10.064 -3.363 346 HA VAL 42 HA VAL 42 -9.770 8.928 -1.663 347 HB VAL 42 HB VAL 42 -10.391 9.425 -3.965 348 HG11 VAL 42 1HG1 VAL 42 -8.278 9.251 -5.074 349 HG12 VAL 42 2HG1 VAL 42 -9.384 8.099 -5.819 350 HG13 VAL 42 3HG1 VAL 42 -8.154 7.541 -4.684 351 HG21 VAL 42 3HG2 VAL 42 -11.441 7.364 -4.513 352 HG22 VAL 42 1HG2 VAL 42 -11.341 7.435 -2.754 353 HG23 VAL 42 2HG2 VAL 42 -10.207 6.435 -3.662 354 H TRP 43 H TRP 43 -9.759 6.839 -0.923 355 HA TRP 43 HA TRP 43 -7.212 5.396 -1.215 356 HB2 TRP 43 2HB TRP 43 -9.216 5.542 1.022 357 HB3 TRP 43 1HB TRP 43 -8.075 4.199 0.913 358 HD1 TRP 43 HD TRP 43 -7.912 8.086 0.975 359 HE1 TRP 43 1HE TRP 43 -5.809 8.761 2.298 360 HE3 TRP 43 3HE TRP 43 -6.028 3.432 1.939 361 HZ2 TRP 43 2HZ TRP 43 -3.639 7.489 3.580 362 HZ3 TRP 43 3HZ TRP 43 -3.934 3.247 3.219 363 HH2 TRP 43 HH TRP 43 -2.766 5.235 4.020 364 H THR 44 H THR 44 -7.291 3.746 -2.572 365 HA THR 44 HA THR 44 -9.821 2.276 -2.879 366 HB THR 44 HB THR 44 -8.262 1.402 -4.938 367 HG1 THR 44 1HG THR 44 -6.647 2.968 -4.323 368 HG21 THR 44 3HG2 THR 44 -10.368 3.413 -4.670 369 HG22 THR 44 1HG2 THR 44 -10.208 2.070 -5.802 370 HG23 THR 44 2HG2 THR 44 -9.358 3.585 -6.105 371 H TYR 45 H TYR 45 -9.392 -0.104 -3.578 372 HA TYR 45 HA TYR 45 -7.080 -1.321 -2.344 373 HB2 TYR 45 2HB TYR 45 -8.617 -0.967 -0.428 374 HB3 TYR 45 1HB TYR 45 -9.839 -1.931 -1.261 375 HD1 TYR 45 1HD TYR 45 -6.643 -2.019 0.532 376 HD2 TYR 45 2HD TYR 45 -9.626 -4.341 -1.416 377 HE1 TYR 45 1HE TYR 45 -5.699 -4.055 1.533 378 HE2 TYR 45 2HE TYR 45 -8.692 -6.386 -0.420 379 HH TYR 45 HH TYR 45 -7.327 -7.056 1.473 380 H LYS 46 H LYS 46 -6.911 -3.596 -2.771 381 HA LYS 46 HA LYS 46 -8.751 -4.602 -4.828 382 HB2 LYS 46 2HB LYS 46 -6.008 -3.863 -5.203 383 HB3 LYS 46 1HB LYS 46 -6.159 -5.609 -5.405 384 HG2 LYS 46 2HG LYS 46 -7.698 -5.372 -7.170 385 HG3 LYS 46 1HG LYS 46 -7.965 -3.665 -6.811 386 HD2 LYS 46 2HD LYS 46 -5.242 -4.659 -7.565 387 HD3 LYS 46 1HD LYS 46 -6.447 -4.312 -8.807 388 HE2 LYS 46 2HE LYS 46 -6.115 -2.228 -6.760 389 HE3 LYS 46 1HE LYS 46 -4.716 -2.488 -7.800 390 HZ1 LYS 46 3HZ LYS 46 -7.425 -2.143 -8.926 391 HZ2 LYS 46 1HZ LYS 46 -5.929 -1.943 -9.693 392 HZ3 LYS 46 2HZ LYS 46 -6.454 -0.810 -8.552 393 H ASP 47 H ASP 47 -9.537 -6.523 -4.296 394 HA ASP 47 HA ASP 47 -8.386 -8.002 -2.094 395 HB2 ASP 47 2HB ASP 47 -10.378 -9.463 -2.355 396 HB3 ASP 47 1HB ASP 47 -10.792 -7.760 -2.152 397 H GLU 48 H GLU 48 -7.531 -7.876 -5.207 398 HA GLU 48 HA GLU 48 -7.530 -10.556 -6.067 399 HB2 GLU 48 2HB GLU 48 -5.819 -8.182 -6.785 400 HB3 GLU 48 1HB GLU 48 -5.593 -9.756 -7.534 401 HG2 GLU 48 2HG GLU 48 -7.691 -9.693 -8.567 402 HG3 GLU 48 1HG GLU 48 -8.245 -8.375 -7.538 403 H ILE 49 H ILE 49 -4.929 -8.618 -4.582 404 HA ILE 49 HA ILE 49 -3.874 -11.065 -3.378 405 HB ILE 49 HB ILE 49 -1.524 -10.230 -3.947 406 HG12 ILE 49 2HG1 ILE 49 -2.405 -8.011 -4.821 407 HG13 ILE 49 1HG1 ILE 49 -1.224 -8.825 -5.839 408 HG21 ILE 49 1HG2 ILE 49 -3.422 -11.769 -5.524 409 HG22 ILE 49 2HG2 ILE 49 -1.755 -12.134 -5.081 410 HG23 ILE 49 3HG2 ILE 49 -2.093 -11.122 -6.485 411 HD11 ILE 49 3HD1 ILE 49 -3.827 -9.667 -6.615 412 HD12 ILE 49 1HD1 ILE 49 -2.630 -8.759 -7.540 413 HD13 ILE 49 2HD1 ILE 49 -3.794 -7.906 -6.528 414 H LYS 50 H LYS 50 -5.306 -8.747 -2.337 415 HA LYS 50 HA LYS 50 -5.259 -7.357 -0.535 416 HB2 LYS 50 2HB LYS 50 -3.177 -9.366 0.004 417 HB3 LYS 50 1HB LYS 50 -2.999 -7.871 0.910 418 HG2 LYS 50 2HG LYS 50 -4.276 -9.579 2.127 419 HG3 LYS 50 1HG LYS 50 -5.212 -8.111 1.834 420 HD2 LYS 50 2HD LYS 50 -6.611 -10.017 1.397 421 HD3 LYS 50 1HD LYS 50 -6.236 -9.231 -0.138 422 HE2 LYS 50 2HE LYS 50 -6.071 -11.662 -0.317 423 HE3 LYS 50 1HE LYS 50 -4.509 -10.889 -0.580 424 HZ1 LYS 50 3HZ LYS 50 -3.792 -11.513 1.571 425 HZ2 LYS 50 1HZ LYS 50 -4.475 -12.898 0.880 426 HZ3 LYS 50 2HZ LYS 50 -5.339 -12.014 2.034 427 H THR 51 H THR 51 -4.966 -5.444 -1.700 428 HA THR 51 HA THR 51 -2.350 -4.227 -1.319 429 HB THR 51 HB THR 51 -2.118 -3.488 -3.585 430 HG1 THR 51 1HG THR 51 -4.648 -4.692 -3.993 431 HG21 THR 51 3HG2 THR 51 -2.950 -6.328 -3.960 432 HG22 THR 51 1HG2 THR 51 -1.526 -5.916 -3.005 433 HG23 THR 51 2HG2 THR 51 -1.616 -5.445 -4.703 434 H PHE 52 H PHE 52 -2.445 -2.162 -0.754 435 HA PHE 52 HA PHE 52 -5.061 -0.824 -0.826 436 HB2 PHE 52 2HB PHE 52 -2.979 -1.015 1.165 437 HB3 PHE 52 1HB PHE 52 -3.262 0.674 0.755 438 HD1 PHE 52 2HD PHE 52 -6.125 0.729 0.230 439 HD2 PHE 52 1HD PHE 52 -3.941 -1.343 3.239 440 HE1 PHE 52 2HE PHE 52 -8.113 0.749 1.680 441 HE2 PHE 52 1HE PHE 52 -5.924 -1.326 4.693 442 HZ PHE 52 HZ PHE 52 -8.013 -0.278 3.917 443 H THR 53 H THR 53 -5.177 1.387 -1.549 444 HA THR 53 HA THR 53 -2.793 2.442 -2.857 445 HB THR 53 HB THR 53 -4.292 2.952 -4.898 446 HG1 THR 53 1HG THR 53 -5.704 0.777 -3.749 447 HG21 THR 53 3HG2 THR 53 -3.523 1.120 -6.035 448 HG22 THR 53 1HG2 THR 53 -3.783 0.029 -4.675 449 HG23 THR 53 2HG2 THR 53 -2.425 1.155 -4.655 450 H VAL 54 H VAL 54 -2.620 4.582 -2.711 451 HA VAL 54 HA VAL 54 -5.003 6.103 -1.873 452 HB VAL 54 HB VAL 54 -2.168 6.806 -1.122 453 HG11 VAL 54 1HG1 VAL 54 -4.824 7.697 -0.001 454 HG12 VAL 54 2HG1 VAL 54 -3.800 8.634 -1.090 455 HG13 VAL 54 3HG1 VAL 54 -3.233 8.239 0.532 456 HG21 VAL 54 3HG2 VAL 54 -2.485 4.745 -0.040 457 HG22 VAL 54 1HG2 VAL 54 -4.170 5.103 0.336 458 HG23 VAL 54 2HG2 VAL 54 -2.878 5.959 1.177 459 H THR 55 H THR 55 -5.602 7.021 -3.763 460 HA THR 55 HA THR 55 -3.574 8.352 -5.403 461 HB THR 55 HB THR 55 -6.494 7.822 -5.990 462 HG1 THR 55 1HG THR 55 -4.999 5.974 -5.858 463 HG21 THR 55 3HG2 THR 55 -4.427 8.435 -8.051 464 HG22 THR 55 1HG2 THR 55 -5.275 9.733 -7.219 465 HG23 THR 55 2HG2 THR 55 -6.182 8.541 -8.151 466 H GLU 56 H GLU 56 -3.415 10.503 -5.565 467 HA GLU 56 HA GLU 56 -4.759 12.168 -3.701 468 HB2 GLU 56 2HB GLU 56 -2.490 12.365 -5.323 469 HB3 GLU 56 1HB GLU 56 -3.558 13.633 -5.891 470 HG2 GLU 56 2HG GLU 56 -3.251 13.414 -2.970 471 HG3 GLU 56 1HG GLU 56 -1.827 13.932 -3.870 Start of MODEL 20 1 H1 THR 1 1HT THR 1 0.838 -13.988 4.662 2 H2 THR 1 2HT THR 1 1.364 -12.375 4.924 3 H3 THR 1 3HT THR 1 2.459 -13.550 4.317 4 HA THR 1 HA THR 1 1.378 -13.680 2.292 5 HB THR 1 HB THR 1 -0.899 -13.654 3.178 6 HG1 THR 1 1HG THR 1 -0.427 -11.588 1.293 7 HG21 THR 1 3HG2 THR 1 -1.955 -11.351 3.513 8 HG22 THR 1 1HG2 THR 1 -0.307 -10.788 3.791 9 HG23 THR 1 2HG2 THR 1 -1.002 -12.030 4.833 10 H THR 2 H THR 2 1.676 -12.178 0.588 11 HA THR 2 HA THR 2 3.335 -9.925 1.337 12 HB THR 2 HB THR 2 4.103 -11.339 -0.471 13 HG1 THR 2 1HG THR 2 4.359 -8.976 -0.588 14 HG21 THR 2 3HG2 THR 2 2.147 -12.258 -1.412 15 HG22 THR 2 1HG2 THR 2 2.894 -11.273 -2.670 16 HG23 THR 2 2HG2 THR 2 1.493 -10.664 -1.788 17 H TYR 3 H TYR 3 2.767 -7.834 1.292 18 HA TYR 3 HA TYR 3 0.089 -7.183 0.242 19 HB2 TYR 3 2HB TYR 3 1.361 -6.586 2.756 20 HB3 TYR 3 1HB TYR 3 0.969 -5.088 1.921 21 HD1 TYR 3 1HD TYR 3 -0.408 -8.138 3.440 22 HD2 TYR 3 2HD TYR 3 -1.325 -4.428 1.566 23 HE1 TYR 3 1HE TYR 3 -2.743 -8.349 4.173 24 HE2 TYR 3 2HE TYR 3 -3.662 -4.630 2.298 25 HH TYR 3 HH TYR 3 -5.198 -6.896 2.951 26 H LYS 4 H LYS 4 -0.009 -5.907 -1.481 27 HA LYS 4 HA LYS 4 2.412 -4.475 -2.305 28 HB2 LYS 4 2HB LYS 4 1.073 -6.120 -3.811 29 HB3 LYS 4 1HB LYS 4 -0.045 -4.777 -4.001 30 HG2 LYS 4 2HG LYS 4 1.322 -3.672 -5.383 31 HG3 LYS 4 1HG LYS 4 2.759 -4.067 -4.438 32 HD2 LYS 4 2HD LYS 4 3.320 -5.543 -6.005 33 HD3 LYS 4 1HD LYS 4 1.890 -6.484 -5.579 34 HE2 LYS 4 2HE LYS 4 0.567 -5.196 -7.185 35 HE3 LYS 4 1HE LYS 4 1.994 -4.250 -7.605 36 HZ1 LYS 4 3HZ LYS 4 1.394 -6.174 -9.118 37 HZ2 LYS 4 1HZ LYS 4 1.939 -7.194 -7.883 38 HZ3 LYS 4 2HZ LYS 4 3.002 -6.092 -8.600 39 H LEU 5 H LEU 5 2.196 -2.302 -3.213 40 HA LEU 5 HA LEU 5 -0.149 -0.819 -2.274 41 HB2 LEU 5 2HB LEU 5 2.440 -0.723 -1.073 42 HB3 LEU 5 1HB LEU 5 2.118 0.825 -1.833 43 HG LEU 5 HG LEU 5 0.248 -0.501 0.130 44 HD11 LEU 5 1HD1 LEU 5 1.086 1.011 1.795 45 HD12 LEU 5 2HD1 LEU 5 2.184 1.753 0.630 46 HD13 LEU 5 3HD1 LEU 5 2.436 0.084 1.141 47 HD21 LEU 5 3HD2 LEU 5 -0.380 1.369 -1.680 48 HD22 LEU 5 1HD2 LEU 5 0.228 2.406 -0.391 49 HD23 LEU 5 2HD2 LEU 5 -1.106 1.297 -0.075 50 H ILE 6 H ILE 6 -0.808 0.760 -3.608 51 HA ILE 6 HA ILE 6 1.026 1.787 -5.630 52 HB ILE 6 HB ILE 6 -1.696 1.256 -6.652 53 HG12 ILE 6 2HG1 ILE 6 -1.097 -0.868 -5.462 54 HG13 ILE 6 1HG1 ILE 6 -1.292 -1.055 -7.201 55 HG21 ILE 6 1HG2 ILE 6 0.221 2.365 -7.873 56 HG22 ILE 6 2HG2 ILE 6 -0.600 1.057 -8.724 57 HG23 ILE 6 3HG2 ILE 6 0.961 0.767 -7.958 58 HD11 ILE 6 3HD1 ILE 6 0.925 -1.742 -5.582 59 HD12 ILE 6 1HD1 ILE 6 1.430 -0.470 -6.693 60 HD13 ILE 6 2HD1 ILE 6 0.718 -1.956 -7.321 61 H LEU 7 H LEU 7 1.065 3.859 -4.967 62 HA LEU 7 HA LEU 7 -1.503 5.177 -4.428 63 HB2 LEU 7 2HB LEU 7 1.263 6.072 -3.638 64 HB3 LEU 7 1HB LEU 7 -0.249 6.844 -3.182 65 HG LEU 7 HG LEU 7 -0.855 4.676 -2.006 66 HD11 LEU 7 1HD1 LEU 7 1.587 3.649 -1.346 67 HD12 LEU 7 2HD1 LEU 7 1.779 3.984 -3.067 68 HD13 LEU 7 3HD1 LEU 7 0.467 2.945 -2.511 69 HD21 LEU 7 3HD2 LEU 7 0.966 5.195 -0.166 70 HD22 LEU 7 1HD2 LEU 7 -0.345 6.324 -0.512 71 HD23 LEU 7 2HD2 LEU 7 1.258 6.600 -1.192 72 H ASN 8 H ASN 8 -2.167 6.916 -5.543 73 HA ASN 8 HA ASN 8 -0.390 7.878 -7.693 74 HB2 ASN 8 2HB ASN 8 -2.578 6.580 -8.276 75 HB3 ASN 8 1HB ASN 8 -3.384 8.087 -7.839 76 HD21 ASN 8 1HD2 ASN 8 -3.865 9.238 -9.544 77 HD22 ASN 8 2HD2 ASN 8 -2.908 9.407 -10.973 78 H LEU 9 H LEU 9 0.093 9.987 -7.691 79 HA LEU 9 HA LEU 9 -1.626 11.828 -6.178 80 HB2 LEU 9 2HB LEU 9 1.213 12.492 -5.987 81 HB3 LEU 9 1HB LEU 9 -0.024 12.469 -4.738 82 HG LEU 9 HG LEU 9 1.187 9.907 -5.710 83 HD11 LEU 9 1HD1 LEU 9 2.991 11.557 -5.081 84 HD12 LEU 9 2HD1 LEU 9 2.962 10.051 -4.164 85 HD13 LEU 9 3HD1 LEU 9 2.322 11.524 -3.448 86 HD21 LEU 9 3HD2 LEU 9 -0.626 9.485 -4.324 87 HD22 LEU 9 1HD2 LEU 9 -0.279 10.864 -3.281 88 HD23 LEU 9 2HD2 LEU 9 0.740 9.427 -3.212 89 H LYS 10 H LYS 10 -2.425 12.599 -8.148 90 HA LYS 10 HA LYS 10 -2.535 14.019 -9.915 91 HB2 LYS 10 2HB LYS 10 -0.089 15.049 -8.511 92 HB3 LYS 10 1HB LYS 10 -0.581 15.728 -10.051 93 HG2 LYS 10 2HG LYS 10 -2.856 15.601 -8.339 94 HG3 LYS 10 1HG LYS 10 -1.523 16.364 -7.469 95 HD2 LYS 10 2HD LYS 10 -1.223 17.951 -9.295 96 HD3 LYS 10 1HD LYS 10 -2.528 17.176 -10.195 97 HE2 LYS 10 2HE LYS 10 -3.030 18.199 -7.433 98 HE3 LYS 10 1HE LYS 10 -2.998 19.325 -8.792 99 HZ1 LYS 10 3HZ LYS 10 -4.610 17.537 -9.807 100 HZ2 LYS 10 1HZ LYS 10 -5.186 18.762 -8.792 101 HZ3 LYS 10 2HZ LYS 10 -4.921 17.208 -8.178 102 H GLN 11 H GLN 11 1.002 13.790 -9.835 103 HA GLN 11 HA GLN 11 0.882 12.378 -12.422 104 HB2 GLN 11 2HB GLN 11 1.829 14.883 -12.101 105 HB3 GLN 11 1HB GLN 11 3.299 13.966 -11.767 106 HG2 GLN 11 2HG GLN 11 3.632 13.858 -13.950 107 HG3 GLN 11 1HG GLN 11 2.224 12.800 -14.058 108 HE21 GLN 11 1HE2 GLN 11 3.352 14.862 -15.892 109 HE22 GLN 11 2HE2 GLN 11 2.036 15.930 -16.230 110 H ALA 12 H ALA 12 2.570 12.730 -9.354 111 HA ALA 12 HA ALA 12 4.321 10.486 -9.951 112 HB1 ALA 12 1HB ALA 12 5.470 12.162 -8.817 113 HB2 ALA 12 2HB ALA 12 5.112 10.990 -7.554 114 HB3 ALA 12 3HB ALA 12 4.140 12.446 -7.694 115 H LYS 13 H LYS 13 4.236 8.506 -9.003 116 HA LYS 13 HA LYS 13 1.971 7.963 -7.202 117 HB2 LYS 13 2HB LYS 13 1.764 5.742 -8.313 118 HB3 LYS 13 1HB LYS 13 1.392 7.094 -9.373 119 HG2 LYS 13 2HG LYS 13 4.086 6.692 -9.783 120 HG3 LYS 13 1HG LYS 13 3.448 5.057 -9.596 121 HD2 LYS 13 2HD LYS 13 2.460 5.119 -11.597 122 HD3 LYS 13 1HD LYS 13 1.739 6.697 -11.270 123 HE2 LYS 13 2HE LYS 13 4.153 7.579 -11.699 124 HE3 LYS 13 1HE LYS 13 4.372 6.035 -12.521 125 HZ1 LYS 13 3HZ LYS 13 2.455 6.574 -13.918 126 HZ2 LYS 13 1HZ LYS 13 3.684 7.726 -14.076 127 HZ3 LYS 13 2HZ LYS 13 2.310 8.076 -13.155 128 H GLU 14 H GLU 14 2.274 6.106 -5.767 129 HA GLU 14 HA GLU 14 5.136 5.567 -5.282 130 HB2 GLU 14 2HB GLU 14 3.039 5.486 -3.128 131 HB3 GLU 14 1HB GLU 14 4.790 5.598 -2.957 132 HG2 GLU 14 2HG GLU 14 3.916 7.846 -4.445 133 HG3 GLU 14 1HG GLU 14 2.869 7.685 -3.035 134 H GLU 15 H GLU 15 5.789 3.511 -4.896 135 HA GLU 15 HA GLU 15 3.738 1.406 -4.849 136 HB2 GLU 15 2HB GLU 15 6.306 1.157 -6.410 137 HB3 GLU 15 1HB GLU 15 4.917 0.081 -6.442 138 HG2 GLU 15 2HG GLU 15 4.257 2.813 -7.195 139 HG3 GLU 15 1HG GLU 15 5.467 2.077 -8.242 140 H ALA 16 H ALA 16 4.098 -0.205 -3.409 141 HA ALA 16 HA ALA 16 6.755 -0.690 -2.361 142 HB1 ALA 16 1HB ALA 16 4.571 0.498 -0.674 143 HB2 ALA 16 2HB ALA 16 6.225 1.071 -0.895 144 HB3 ALA 16 3HB ALA 16 5.918 -0.405 0.019 145 H ILE 17 H ILE 17 6.866 -2.573 -0.981 146 HA ILE 17 HA ILE 17 4.507 -4.317 -1.056 147 HB ILE 17 HB ILE 17 7.258 -5.308 -1.794 148 HG12 ILE 17 2HG1 ILE 17 5.877 -5.571 -4.085 149 HG13 ILE 17 1HG1 ILE 17 5.096 -4.124 -3.455 150 HG21 ILE 17 1HG2 ILE 17 6.357 -7.370 -1.976 151 HG22 ILE 17 2HG2 ILE 17 4.805 -6.760 -2.552 152 HG23 ILE 17 3HG2 ILE 17 5.185 -6.718 -0.830 153 HD11 ILE 17 3HD1 ILE 17 7.815 -4.507 -4.504 154 HD12 ILE 17 1HD1 ILE 17 7.667 -3.449 -3.100 155 HD13 ILE 17 2HD1 ILE 17 6.754 -3.100 -4.569 156 H LYS 18 H LYS 18 4.184 -5.403 0.797 157 HA LYS 18 HA LYS 18 6.414 -5.840 2.626 158 HB2 LYS 18 2HB LYS 18 4.784 -3.692 3.009 159 HB3 LYS 18 1HB LYS 18 3.951 -4.919 3.953 160 HG2 LYS 18 2HG LYS 18 5.433 -3.761 5.402 161 HG3 LYS 18 1HG LYS 18 6.105 -5.369 5.124 162 HD2 LYS 18 2HD LYS 18 7.482 -4.293 3.270 163 HD3 LYS 18 1HD LYS 18 6.999 -2.744 3.964 164 HE2 LYS 18 2HE LYS 18 9.151 -3.373 4.847 165 HE3 LYS 18 1HE LYS 18 7.946 -3.461 6.131 166 HZ1 LYS 18 3HZ LYS 18 8.861 -5.807 4.560 167 HZ2 LYS 18 1HZ LYS 18 7.880 -5.820 5.938 168 HZ3 LYS 18 2HZ LYS 18 9.504 -5.370 6.062 169 H GLU 19 H GLU 19 6.396 -7.917 3.107 170 HA GLU 19 HA GLU 19 3.863 -9.376 3.107 171 HB2 GLU 19 2HB GLU 19 6.583 -10.653 3.243 172 HB3 GLU 19 1HB GLU 19 5.071 -11.347 2.674 173 HG2 GLU 19 2HG GLU 19 5.711 -10.876 0.612 174 HG3 GLU 19 1HG GLU 19 5.542 -9.166 1.003 175 H LEU 20 H LEU 20 2.983 -9.295 5.048 176 HA LEU 20 HA LEU 20 4.676 -9.683 7.417 177 HB2 LEU 20 2HB LEU 20 2.185 -8.186 6.880 178 HB3 LEU 20 1HB LEU 20 2.268 -8.987 8.437 179 HG LEU 20 HG LEU 20 4.442 -7.800 8.847 180 HD11 LEU 20 1HD1 LEU 20 4.790 -5.741 7.448 181 HD12 LEU 20 2HD1 LEU 20 3.651 -6.427 6.291 182 HD13 LEU 20 3HD1 LEU 20 5.157 -7.270 6.650 183 HD21 LEU 20 3HD2 LEU 20 3.328 -6.139 9.875 184 HD22 LEU 20 1HD2 LEU 20 1.897 -6.992 9.297 185 HD23 LEU 20 2HD2 LEU 20 2.529 -5.617 8.392 186 H VAL 21 H VAL 21 3.003 -10.607 9.272 187 HA VAL 21 HA VAL 21 2.720 -13.352 8.577 188 HB VAL 21 HB VAL 21 3.327 -12.646 10.848 189 HG11 VAL 21 1HG1 VAL 21 2.001 -10.646 11.059 190 HG12 VAL 21 2HG1 VAL 21 1.572 -11.764 12.354 191 HG13 VAL 21 3HG1 VAL 21 0.509 -11.580 10.959 192 HG21 VAL 21 3HG2 VAL 21 1.919 -14.785 10.204 193 HG22 VAL 21 1HG2 VAL 21 0.704 -14.002 11.216 194 HG23 VAL 21 2HG2 VAL 21 2.287 -14.398 11.885 195 H ASP 22 H ASP 22 0.467 -10.663 8.932 196 HA ASP 22 HA ASP 22 -1.600 -12.322 7.700 197 HB2 ASP 22 2HB ASP 22 -1.688 -11.894 10.360 198 HB3 ASP 22 1HB ASP 22 -2.520 -10.444 9.807 199 H ALA 23 H ALA 23 -3.538 -10.099 8.153 200 HA ALA 23 HA ALA 23 -2.464 -8.213 6.164 201 HB1 ALA 23 1HB ALA 23 -4.886 -7.948 5.465 202 HB2 ALA 23 2HB ALA 23 -5.219 -9.382 6.437 203 HB3 ALA 23 3HB ALA 23 -4.114 -9.482 5.064 204 H GLY 24 H GLY 24 -3.129 -8.357 9.327 205 HA2 GLY 24 2HA GLY 24 -4.650 -5.885 9.548 206 HA3 GLY 24 1HA GLY 24 -4.106 -6.897 10.879 207 H THR 25 H THR 25 -1.598 -7.001 10.997 208 HA THR 25 HA THR 25 -0.655 -4.487 11.719 209 HB THR 25 HB THR 25 1.641 -5.942 11.144 210 HG1 THR 25 1HG THR 25 -0.234 -7.786 12.156 211 HG21 THR 25 3HG2 THR 25 0.875 -4.815 13.303 212 HG22 THR 25 1HG2 THR 25 1.873 -6.264 13.420 213 HG23 THR 25 2HG2 THR 25 0.133 -6.370 13.681 214 H ALA 26 H ALA 26 -0.518 -6.172 8.659 215 HA ALA 26 HA ALA 26 1.329 -4.325 7.461 216 HB1 ALA 26 1HB ALA 26 0.218 -5.620 5.356 217 HB2 ALA 26 2HB ALA 26 -0.070 -6.781 6.653 218 HB3 ALA 26 3HB ALA 26 1.571 -6.240 6.303 219 H GLU 27 H GLU 27 -2.160 -4.740 7.645 220 HA GLU 27 HA GLU 27 -2.784 -2.869 5.580 221 HB2 GLU 27 2HB GLU 27 -4.443 -4.480 6.198 222 HB3 GLU 27 1HB GLU 27 -4.407 -3.967 7.879 223 HG2 GLU 27 2HG GLU 27 -5.109 -1.656 6.653 224 HG3 GLU 27 1HG GLU 27 -5.843 -2.845 5.580 225 H LYS 28 H LYS 28 -2.132 -2.601 9.000 226 HA LYS 28 HA LYS 28 -3.048 0.118 9.201 227 HB2 LYS 28 2HB LYS 28 -1.304 -1.441 11.110 228 HB3 LYS 28 1HB LYS 28 -2.178 0.045 11.467 229 HG2 LYS 28 2HG LYS 28 -4.182 -1.011 11.652 230 HG3 LYS 28 1HG LYS 28 -3.750 -2.278 10.509 231 HD2 LYS 28 2HD LYS 28 -2.473 -3.440 12.112 232 HD3 LYS 28 1HD LYS 28 -2.469 -2.060 13.219 233 HE2 LYS 28 2HE LYS 28 -4.794 -2.339 13.691 234 HE3 LYS 28 1HE LYS 28 -4.962 -3.547 12.414 235 HZ1 LYS 28 3HZ LYS 28 -3.846 -5.130 13.653 236 HZ2 LYS 28 1HZ LYS 28 -4.759 -4.330 14.829 237 HZ3 LYS 28 2HZ LYS 28 -3.111 -3.992 14.663 238 H TYR 29 H TYR 29 0.143 -1.465 9.250 239 HA TYR 29 HA TYR 29 1.717 0.812 9.449 240 HB2 TYR 29 2HB TYR 29 2.217 -1.860 9.251 241 HB3 TYR 29 1HB TYR 29 2.786 -1.293 7.679 242 HD1 TYR 29 2HD TYR 29 4.686 0.232 7.523 243 HD2 TYR 29 1HD TYR 29 3.348 -1.222 11.291 244 HE1 TYR 29 2HE TYR 29 6.795 0.971 8.550 245 HE2 TYR 29 1HE TYR 29 5.452 -0.486 12.328 246 HH TYR 29 HH TYR 29 7.487 1.658 11.040 247 H PHE 30 H PHE 30 0.469 -0.792 6.539 248 HA PHE 30 HA PHE 30 1.718 0.970 4.703 249 HB2 PHE 30 2HB PHE 30 -0.257 -1.207 4.594 250 HB3 PHE 30 1HB PHE 30 -0.477 0.023 3.354 251 HD1 PHE 30 2HD PHE 30 2.938 -0.353 4.400 252 HD2 PHE 30 1HD PHE 30 -0.051 -1.944 1.821 253 HE1 PHE 30 2HE PHE 30 4.684 -1.409 3.030 254 HE2 PHE 30 1HE PHE 30 1.691 -3.005 0.451 255 HZ PHE 30 HZ PHE 30 4.063 -2.737 1.053 256 H LYS 31 H LYS 31 -1.399 0.981 6.335 257 HA LYS 31 HA LYS 31 -2.493 3.154 4.860 258 HB2 LYS 31 2HB LYS 31 -3.238 1.556 7.211 259 HB3 LYS 31 1HB LYS 31 -3.802 3.220 7.269 260 HG2 LYS 31 2HG LYS 31 -4.995 2.960 5.217 261 HG3 LYS 31 1HG LYS 31 -4.285 1.367 4.949 262 HD2 LYS 31 2HD LYS 31 -5.875 0.390 6.164 263 HD3 LYS 31 1HD LYS 31 -5.567 1.471 7.524 264 HE2 LYS 31 2HE LYS 31 -7.068 2.568 5.211 265 HE3 LYS 31 1HE LYS 31 -7.901 1.407 6.244 266 HZ1 LYS 31 3HZ LYS 31 -8.389 3.290 7.368 267 HZ2 LYS 31 1HZ LYS 31 -7.013 4.119 6.836 268 HZ3 LYS 31 2HZ LYS 31 -6.889 2.991 8.091 269 H LEU 32 H LEU 32 -0.485 2.879 7.703 270 HA LEU 32 HA LEU 32 -0.781 5.582 8.564 271 HB2 LEU 32 2HB LEU 32 -0.031 3.609 9.967 272 HB3 LEU 32 1HB LEU 32 1.525 3.736 9.161 273 HG LEU 32 HG LEU 32 1.264 6.273 10.020 274 HD11 LEU 32 1HD1 LEU 32 -0.801 6.046 11.155 275 HD12 LEU 32 2HD1 LEU 32 0.447 6.092 12.401 276 HD13 LEU 32 3HD1 LEU 32 -0.287 4.554 11.943 277 HD21 LEU 32 3HD2 LEU 32 2.508 3.826 11.129 278 HD22 LEU 32 1HD2 LEU 32 2.458 5.247 12.179 279 HD23 LEU 32 2HD2 LEU 32 3.246 5.339 10.604 280 H ILE 33 H ILE 33 1.927 3.862 7.000 281 HA ILE 33 HA ILE 33 3.550 6.084 6.558 282 HB ILE 33 HB ILE 33 4.334 3.771 6.288 283 HG12 ILE 33 2HG1 ILE 33 5.672 4.129 4.219 284 HG13 ILE 33 1HG1 ILE 33 4.642 5.502 3.824 285 HG21 ILE 33 1HG2 ILE 33 2.839 3.753 3.672 286 HG22 ILE 33 2HG2 ILE 33 2.284 2.947 5.139 287 HG23 ILE 33 3HG2 ILE 33 3.791 2.443 4.373 288 HD11 ILE 33 3HD1 ILE 33 5.770 5.659 6.499 289 HD12 ILE 33 1HD1 ILE 33 5.747 6.853 5.202 290 HD13 ILE 33 2HD1 ILE 33 6.989 5.601 5.226 291 H ALA 34 H ALA 34 1.067 4.650 4.462 292 HA ALA 34 HA ALA 34 1.441 6.298 2.236 293 HB1 ALA 34 1HB ALA 34 -1.267 5.302 3.040 294 HB2 ALA 34 2HB ALA 34 -0.010 4.186 2.504 295 HB3 ALA 34 3HB ALA 34 -0.573 5.464 1.427 296 H ASN 35 H ASN 35 -0.478 6.768 5.160 297 HA ASN 35 HA ASN 35 -1.705 9.185 4.256 298 HB2 ASN 35 2HB ASN 35 -1.897 7.456 6.539 299 HB3 ASN 35 1HB ASN 35 -1.720 9.120 7.086 300 HD21 ASN 35 1HD2 ASN 35 -4.020 7.424 7.330 301 HD22 ASN 35 2HD2 ASN 35 -5.310 8.199 6.481 302 H ALA 36 H ALA 36 1.290 8.386 5.802 303 HA ALA 36 HA ALA 36 1.795 11.073 6.735 304 HB1 ALA 36 1HB ALA 36 4.043 9.177 6.547 305 HB2 ALA 36 2HB ALA 36 2.694 8.675 7.564 306 HB3 ALA 36 3HB ALA 36 3.524 10.196 7.889 307 H LYS 37 H LYS 37 2.515 9.148 3.920 308 HA LYS 37 HA LYS 37 4.570 10.908 2.943 309 HB2 LYS 37 2HB LYS 37 3.288 8.402 2.056 310 HB3 LYS 37 1HB LYS 37 3.846 9.455 0.764 311 HG2 LYS 37 2HG LYS 37 5.714 8.910 3.003 312 HG3 LYS 37 1HG LYS 37 5.399 7.612 1.849 313 HD2 LYS 37 2HD LYS 37 6.165 8.929 0.027 314 HD3 LYS 37 1HD LYS 37 6.195 10.393 1.012 315 HE2 LYS 37 2HE LYS 37 7.877 8.028 1.749 316 HE3 LYS 37 1HE LYS 37 8.416 9.155 0.504 317 HZ1 LYS 37 3HZ LYS 37 8.769 10.787 2.007 318 HZ2 LYS 37 1HZ LYS 37 8.971 9.479 3.061 319 HZ3 LYS 37 2HZ LYS 37 7.499 10.312 3.018 320 H THR 38 H THR 38 1.683 9.916 1.137 321 HA THR 38 HA THR 38 1.017 12.728 0.695 322 HB THR 38 HB THR 38 0.892 10.837 -1.614 323 HG1 THR 38 1HG THR 38 3.196 12.221 -0.722 324 HG21 THR 38 3HG2 THR 38 1.773 13.223 -2.548 325 HG22 THR 38 1HG2 THR 38 0.737 13.720 -1.211 326 HG23 THR 38 2HG2 THR 38 0.085 12.713 -2.502 327 H VAL 39 H VAL 39 -1.081 13.122 0.968 328 HA VAL 39 HA VAL 39 -3.105 11.254 0.160 329 HB VAL 39 HB VAL 39 -4.131 11.341 2.562 330 HG11 VAL 39 1HG1 VAL 39 -3.191 9.376 1.144 331 HG12 VAL 39 2HG1 VAL 39 -3.482 9.150 2.869 332 HG13 VAL 39 3HG1 VAL 39 -1.845 9.441 2.281 333 HG21 VAL 39 3HG2 VAL 39 -2.100 12.786 3.289 334 HG22 VAL 39 1HG2 VAL 39 -1.258 11.242 3.391 335 HG23 VAL 39 2HG2 VAL 39 -2.697 11.528 4.370 336 H GLU 40 H GLU 40 -4.210 12.750 -0.955 337 HA GLU 40 HA GLU 40 -5.630 14.781 0.534 338 HB2 GLU 40 2HB GLU 40 -3.362 15.740 -0.253 339 HB3 GLU 40 1HB GLU 40 -4.077 15.708 -1.867 340 HG2 GLU 40 2HG GLU 40 -5.251 17.552 -1.486 341 HG3 GLU 40 1HG GLU 40 -5.846 16.937 0.060 342 H GLY 41 H GLY 41 -6.146 12.339 -1.099 343 HA2 GLY 41 2HA GLY 41 -8.162 13.560 -2.852 344 HA3 GLY 41 1HA GLY 41 -7.077 12.354 -3.526 345 H VAL 42 H VAL 42 -8.293 10.603 -3.867 346 HA VAL 42 HA VAL 42 -10.117 9.732 -1.727 347 HB VAL 42 HB VAL 42 -11.202 10.139 -3.891 348 HG11 VAL 42 1HG1 VAL 42 -9.448 7.928 -4.932 349 HG12 VAL 42 2HG1 VAL 42 -9.290 9.633 -5.336 350 HG13 VAL 42 3HG1 VAL 42 -10.733 8.743 -5.820 351 HG21 VAL 42 3HG2 VAL 42 -12.256 7.875 -4.146 352 HG22 VAL 42 1HG2 VAL 42 -12.256 8.528 -2.508 353 HG23 VAL 42 2HG2 VAL 42 -11.091 7.288 -2.961 354 H TRP 43 H TRP 43 -10.036 7.672 -0.928 355 HA TRP 43 HA TRP 43 -7.562 6.210 -1.475 356 HB2 TRP 43 2HB TRP 43 -9.447 6.380 0.831 357 HB3 TRP 43 1HB TRP 43 -8.545 4.878 0.609 358 HD1 TRP 43 HD TRP 43 -7.585 8.657 0.586 359 HE1 TRP 43 1HE TRP 43 -5.419 8.916 1.955 360 HE3 TRP 43 3HE TRP 43 -6.842 3.763 1.871 361 HZ2 TRP 43 2HZ TRP 43 -3.632 7.263 3.388 362 HZ3 TRP 43 3HZ TRP 43 -4.882 3.187 3.240 363 HH2 TRP 43 HH TRP 43 -3.311 4.902 3.983 364 H THR 44 H THR 44 -7.553 3.972 -1.909 365 HA THR 44 HA THR 44 -10.097 2.673 -2.475 366 HB THR 44 HB THR 44 -8.114 2.397 -4.652 367 HG1 THR 44 1HG THR 44 -7.974 4.564 -4.561 368 HG21 THR 44 3HG2 THR 44 -11.073 2.464 -4.389 369 HG22 THR 44 1HG2 THR 44 -10.035 1.290 -5.197 370 HG23 THR 44 2HG2 THR 44 -10.337 2.859 -5.943 371 H TYR 45 H TYR 45 -10.049 0.615 -1.857 372 HA TYR 45 HA TYR 45 -7.421 -0.640 -1.420 373 HB2 TYR 45 2HB TYR 45 -8.654 -0.349 0.650 374 HB3 TYR 45 1HB TYR 45 -10.073 -1.135 -0.046 375 HD1 TYR 45 1HD TYR 45 -6.569 -1.721 1.022 376 HD2 TYR 45 2HD TYR 45 -10.311 -3.480 0.025 377 HE1 TYR 45 1HE TYR 45 -5.759 -3.889 1.847 378 HE2 TYR 45 2HE TYR 45 -9.512 -5.657 0.848 379 HH TYR 45 HH TYR 45 -7.072 -6.096 2.815 380 H LYS 46 H LYS 46 -6.971 -2.590 -2.317 381 HA LYS 46 HA LYS 46 -9.047 -3.751 -4.053 382 HB2 LYS 46 2HB LYS 46 -6.358 -2.967 -4.592 383 HB3 LYS 46 1HB LYS 46 -6.458 -4.720 -4.756 384 HG2 LYS 46 2HG LYS 46 -8.542 -4.237 -6.197 385 HG3 LYS 46 1HG LYS 46 -7.903 -2.595 -6.287 386 HD2 LYS 46 2HD LYS 46 -5.887 -3.352 -7.306 387 HD3 LYS 46 1HD LYS 46 -6.290 -5.041 -6.989 388 HE2 LYS 46 2HE LYS 46 -8.024 -3.288 -8.703 389 HE3 LYS 46 1HE LYS 46 -6.642 -4.159 -9.364 390 HZ1 LYS 46 3HZ LYS 46 -7.688 -6.132 -9.189 391 HZ2 LYS 46 1HZ LYS 46 -9.079 -5.178 -9.248 392 HZ3 LYS 46 2HZ LYS 46 -8.494 -5.722 -7.759 393 H ASP 47 H ASP 47 -9.839 -5.631 -3.413 394 HA ASP 47 HA ASP 47 -8.333 -7.237 -1.485 395 HB2 ASP 47 2HB ASP 47 -10.496 -8.441 -1.174 396 HB3 ASP 47 1HB ASP 47 -10.593 -6.717 -0.817 397 H GLU 48 H GLU 48 -7.634 -7.167 -4.325 398 HA GLU 48 HA GLU 48 -8.480 -9.712 -5.399 399 HB2 GLU 48 2HB GLU 48 -7.987 -7.569 -6.736 400 HB3 GLU 48 1HB GLU 48 -6.293 -7.986 -6.518 401 HG2 GLU 48 2HG GLU 48 -8.123 -10.055 -7.598 402 HG3 GLU 48 1HG GLU 48 -7.636 -8.730 -8.650 403 H ILE 49 H ILE 49 -5.762 -8.395 -3.682 404 HA ILE 49 HA ILE 49 -4.765 -10.968 -3.050 405 HB ILE 49 HB ILE 49 -3.934 -10.377 -5.484 406 HG12 ILE 49 2HG1 ILE 49 -3.279 -12.410 -4.464 407 HG13 ILE 49 1HG1 ILE 49 -1.784 -11.625 -4.957 408 HG21 ILE 49 1HG2 ILE 49 -2.123 -9.023 -5.742 409 HG22 ILE 49 2HG2 ILE 49 -1.565 -9.266 -4.086 410 HG23 ILE 49 3HG2 ILE 49 -2.923 -8.187 -4.410 411 HD11 ILE 49 3HD1 ILE 49 -1.328 -10.946 -2.719 412 HD12 ILE 49 1HD1 ILE 49 -1.703 -12.670 -2.712 413 HD13 ILE 49 2HD1 ILE 49 -2.911 -11.500 -2.177 414 H LYS 50 H LYS 50 -5.615 -8.590 -1.699 415 HA LYS 50 HA LYS 50 -5.058 -7.317 0.101 416 HB2 LYS 50 2HB LYS 50 -2.924 -9.409 0.101 417 HB3 LYS 50 1HB LYS 50 -2.755 -8.035 1.184 418 HG2 LYS 50 2HG LYS 50 -3.992 -9.175 2.630 419 HG3 LYS 50 1HG LYS 50 -5.366 -8.854 1.570 420 HD2 LYS 50 2HD LYS 50 -3.569 -11.186 1.035 421 HD3 LYS 50 1HD LYS 50 -4.822 -11.301 2.273 422 HE2 LYS 50 2HE LYS 50 -6.269 -10.265 0.267 423 HE3 LYS 50 1HE LYS 50 -5.059 -11.140 -0.671 424 HZ1 LYS 50 3HZ LYS 50 -5.720 -12.983 1.128 425 HZ2 LYS 50 1HZ LYS 50 -6.489 -12.832 -0.372 426 HZ3 LYS 50 2HZ LYS 50 -7.193 -12.160 1.011 427 H THR 51 H THR 51 -4.844 -5.526 -1.398 428 HA THR 51 HA THR 51 -2.163 -4.390 -1.281 429 HB THR 51 HB THR 51 -2.180 -5.446 -3.462 430 HG1 THR 51 1HG THR 51 -1.535 -3.074 -3.110 431 HG21 THR 51 3HG2 THR 51 -4.620 -5.551 -3.794 432 HG22 THR 51 1HG2 THR 51 -3.751 -4.912 -5.188 433 HG23 THR 51 2HG2 THR 51 -4.618 -3.817 -4.113 434 H PHE 52 H PHE 52 -2.227 -2.333 -0.686 435 HA PHE 52 HA PHE 52 -4.805 -0.935 -0.729 436 HB2 PHE 52 2HB PHE 52 -2.686 -1.121 1.176 437 HB3 PHE 52 1HB PHE 52 -2.811 0.558 0.665 438 HD1 PHE 52 1HD PHE 52 -5.625 0.977 0.264 439 HD2 PHE 52 2HD PHE 52 -3.647 -1.324 3.248 440 HE1 PHE 52 1HE PHE 52 -7.544 1.290 1.770 441 HE2 PHE 52 2HE PHE 52 -5.564 -1.017 4.757 442 HZ PHE 52 HZ PHE 52 -7.516 0.291 4.021 443 H THR 53 H THR 53 -5.016 1.138 -1.626 444 HA THR 53 HA THR 53 -2.712 2.249 -3.027 445 HB THR 53 HB THR 53 -4.208 2.548 -5.084 446 HG1 THR 53 1HG THR 53 -6.178 1.932 -4.417 447 HG21 THR 53 3HG2 THR 53 -3.612 -0.336 -4.580 448 HG22 THR 53 1HG2 THR 53 -2.317 0.842 -4.798 449 HG23 THR 53 2HG2 THR 53 -3.499 0.582 -6.082 450 H VAL 54 H VAL 54 -2.700 4.417 -3.111 451 HA VAL 54 HA VAL 54 -5.127 5.827 -2.203 452 HB VAL 54 HB VAL 54 -2.283 6.727 -1.728 453 HG11 VAL 54 1HG1 VAL 54 -4.509 8.244 -1.764 454 HG12 VAL 54 2HG1 VAL 54 -3.118 8.571 -0.732 455 HG13 VAL 54 3HG1 VAL 54 -4.517 7.717 -0.081 456 HG21 VAL 54 3HG2 VAL 54 -3.882 5.907 0.587 457 HG22 VAL 54 1HG2 VAL 54 -2.185 5.607 0.215 458 HG23 VAL 54 2HG2 VAL 54 -3.437 4.588 -0.496 459 H THR 55 H THR 55 -5.952 6.552 -4.096 460 HA THR 55 HA THR 55 -4.220 7.721 -6.109 461 HB THR 55 HB THR 55 -6.979 8.082 -6.746 462 HG1 THR 55 1HG THR 55 -7.543 6.496 -5.318 463 HG21 THR 55 3HG2 THR 55 -4.843 6.245 -7.770 464 HG22 THR 55 1HG2 THR 55 -5.465 7.725 -8.500 465 HG23 THR 55 2HG2 THR 55 -6.474 6.280 -8.438 466 H GLU 56 H GLU 56 -4.338 9.843 -6.843 467 HA GLU 56 HA GLU 56 -4.336 12.104 -6.526 468 HB2 GLU 56 2HB GLU 56 -6.768 11.487 -7.111 469 HB3 GLU 56 1HB GLU 56 -7.108 11.777 -5.412 470 HG2 GLU 56 2HG GLU 56 -6.442 14.051 -5.577 471 HG3 GLU 56 1HG GLU 56 -5.820 13.811 -7.208
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