NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
597351 | 2n50 | 25688 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 3.077 0.386 -1.026 3 HB2 MET 1 HB2 MET 1 2.702 -1.387 -2.752 4 HB3 MET 1 HB3 MET 1 2.844 -1.998 -1.109 5 HG2 MET 1 HG2 MET 1 0.324 -2.013 -1.028 6 HG3 MET 1 HG3 MET 1 0.357 -1.706 -2.762 7 HE1 MET 1 HE1 MET 1 -1.055 -3.788 -1.219 8 HE2 MET 1 HE2 MET 1 -0.753 -5.380 -1.916 9 HE3 MET 1 HE3 MET 1 0.003 -4.929 -0.387 10 H THR 2 H THR 2 -0.379 0.438 -1.576 11 HA THR 2 HA THR 2 -0.089 1.812 -4.121 12 HB THR 2 HB THR 2 -1.893 0.131 -3.796 13 HG1 THR 2 HG1 THR 2 -3.355 1.334 -4.943 14 HG21 THR 2 HG21 THR 2 -3.448 0.255 -2.173 15 HG22 THR 2 HG22 THR 2 -3.614 2.004 -2.332 16 HG23 THR 2 HG23 THR 2 -2.295 1.326 -1.378 17 H ARG 3 H ARG 3 -1.651 3.760 -4.404 18 HA ARG 3 HA ARG 3 -0.672 5.885 -2.872 19 HB2 ARG 3 HB2 ARG 3 -2.426 7.238 -3.976 20 HB3 ARG 3 HB3 ARG 3 -1.530 6.235 -5.110 21 HG2 ARG 3 HG2 ARG 3 -3.477 4.554 -4.763 22 HG3 ARG 3 HG3 ARG 3 -4.348 5.969 -4.168 23 HD2 ARG 3 HD2 ARG 3 -3.702 7.127 -6.308 24 HD3 ARG 3 HD3 ARG 3 -3.119 5.567 -6.887 25 HE ARG 3 HE ARG 3 -5.761 5.275 -5.989 26 HH11 ARG 3 HH11 ARG 3 -3.959 6.786 -8.556 27 HH12 ARG 3 HH12 ARG 3 -5.259 6.698 -9.697 28 HH21 ARG 3 HH21 ARG 3 -7.481 5.154 -7.483 29 HH22 ARG 3 HH22 ARG 3 -7.262 5.770 -9.086 30 H GLU 4 H GLU 4 -3.578 3.939 -2.547 31 HA GLU 4 HA GLU 4 -4.911 5.553 -0.659 32 HB2 GLU 4 HB2 GLU 4 -5.357 3.074 -1.941 33 HB3 GLU 4 HB3 GLU 4 -5.464 2.771 -0.212 34 HG2 GLU 4 HG2 GLU 4 -6.938 5.050 -1.469 35 HG3 GLU 4 HG3 GLU 4 -7.594 3.414 -1.490 36 H GLU 5 H GLU 5 -3.176 2.486 -0.085 37 HA GLU 5 HA GLU 5 -3.141 2.564 2.669 38 HB2 GLU 5 HB2 GLU 5 -1.187 1.411 0.692 39 HB3 GLU 5 HB3 GLU 5 -0.958 1.231 2.425 40 HG2 GLU 5 HG2 GLU 5 -3.409 0.331 2.357 41 HG3 GLU 5 HG3 GLU 5 -3.040 0.051 0.656 42 H VAL 6 H VAL 6 -0.729 3.906 0.431 43 HA VAL 6 HA VAL 6 1.033 4.900 2.378 44 HB VAL 6 HB VAL 6 0.527 5.939 -0.414 45 HG11 VAL 6 HG11 VAL 6 2.121 6.996 1.689 46 HG12 VAL 6 HG12 VAL 6 3.196 6.356 0.444 47 HG13 VAL 6 HG13 VAL 6 1.976 7.560 0.025 48 HG21 VAL 6 HG21 VAL 6 2.121 4.455 -1.194 49 HG22 VAL 6 HG22 VAL 6 2.833 4.217 0.402 50 HG23 VAL 6 HG23 VAL 6 1.275 3.487 0.014 51 H LEU 7 H LEU 7 -1.468 6.626 0.508 52 HA LEU 7 HA LEU 7 -1.232 9.114 1.674 53 HB2 LEU 7 HB2 LEU 7 -2.632 8.929 -0.194 54 HB3 LEU 7 HB3 LEU 7 -3.586 7.642 0.541 55 HG LEU 7 HG LEU 7 -3.699 10.210 1.961 56 HD11 LEU 7 HD11 LEU 7 -5.025 9.968 -0.732 57 HD12 LEU 7 HD12 LEU 7 -3.579 10.928 -0.422 58 HD13 LEU 7 HD13 LEU 7 -5.095 11.334 0.382 59 HD21 LEU 7 HD21 LEU 7 -5.459 7.940 1.237 60 HD22 LEU 7 HD22 LEU 7 -6.228 9.506 1.495 61 HD23 LEU 7 HD23 LEU 7 -5.259 8.777 2.777 62 H GLN 8 H GLN 8 -3.241 6.386 2.745 63 HA GLN 8 HA GLN 8 -4.434 7.658 4.935 64 HB2 GLN 8 HB2 GLN 8 -3.844 4.770 4.330 65 HB3 GLN 8 HB3 GLN 8 -4.639 5.255 5.822 66 HG2 GLN 8 HG2 GLN 8 -6.042 6.563 3.808 67 HG3 GLN 8 HG3 GLN 8 -5.724 4.949 3.173 68 HE21 GLN 8 HE21 GLN 8 -7.101 6.725 5.873 69 HE22 GLN 8 HE22 GLN 8 -8.191 5.483 6.376 70 H LYS 9 H LYS 9 -1.720 5.341 4.993 71 HA LYS 9 HA LYS 9 -1.011 5.533 7.628 72 HB2 LYS 9 HB2 LYS 9 0.172 4.536 5.258 73 HB3 LYS 9 HB3 LYS 9 1.396 5.508 6.064 74 HG2 LYS 9 HG2 LYS 9 1.675 3.314 6.861 75 HG3 LYS 9 HG3 LYS 9 0.876 4.202 8.161 76 HD2 LYS 9 HD2 LYS 9 -0.960 2.922 6.267 77 HD3 LYS 9 HD3 LYS 9 0.056 1.794 7.168 78 HE2 LYS 9 HE2 LYS 9 -0.651 3.155 9.238 79 HE3 LYS 9 HE3 LYS 9 -1.932 3.787 8.204 80 HZ1 LYS 9 HZ1 LYS 9 -3.018 1.996 8.994 81 HZ2 LYS 9 HZ2 LYS 9 -1.606 1.131 9.339 82 HZ3 LYS 9 HZ3 LYS 9 -2.197 1.188 7.755 83 H VAL 10 H VAL 10 0.480 7.464 5.020 84 HA VAL 10 HA VAL 10 2.030 9.138 6.551 85 HB VAL 10 HB VAL 10 0.531 9.805 4.016 86 HG11 VAL 10 HG11 VAL 10 1.114 11.864 5.122 87 HG12 VAL 10 HG12 VAL 10 2.763 11.294 5.394 88 HG13 VAL 10 HG13 VAL 10 2.199 11.618 3.754 89 HG21 VAL 10 HG21 VAL 10 3.190 9.591 3.407 90 HG22 VAL 10 HG22 VAL 10 2.984 8.337 4.630 91 HG23 VAL 10 HG23 VAL 10 1.987 8.322 3.176 92 H ALA 11 H ALA 11 -1.367 9.611 5.620 93 HA ALA 11 HA ALA 11 -1.715 12.099 6.882 94 HB1 ALA 11 HB1 ALA 11 -3.965 10.149 6.641 95 HB2 ALA 11 HB2 ALA 11 -3.960 11.894 6.387 96 HB3 ALA 11 HB3 ALA 11 -3.227 10.828 5.190 97 H LYS 12 H LYS 12 -1.944 8.805 8.071 98 HA LYS 12 HA LYS 12 -3.132 9.505 10.578 99 HB2 LYS 12 HB2 LYS 12 -3.297 7.246 9.506 100 HB3 LYS 12 HB3 LYS 12 -1.596 6.999 9.874 101 HG2 LYS 12 HG2 LYS 12 -2.254 7.455 12.307 102 HG3 LYS 12 HG3 LYS 12 -3.913 7.203 11.760 103 HD2 LYS 12 HD2 LYS 12 -3.367 5.070 12.393 104 HD3 LYS 12 HD3 LYS 12 -2.874 5.026 10.699 105 HE2 LYS 12 HE2 LYS 12 -0.987 4.174 11.647 106 HE3 LYS 12 HE3 LYS 12 -0.590 5.889 11.731 107 HZ1 LYS 12 HZ1 LYS 12 -1.726 4.243 13.926 108 HZ2 LYS 12 HZ2 LYS 12 -1.435 5.907 14.016 109 HZ3 LYS 12 HZ3 LYS 12 -0.143 4.831 13.831 110 H ILE 13 H ILE 13 0.115 8.241 9.797 111 HA ILE 13 HA ILE 13 1.298 8.640 12.255 112 HB ILE 13 HB ILE 13 2.643 8.978 9.572 113 HG12 ILE 13 HG12 ILE 13 2.246 6.509 11.277 114 HG13 ILE 13 HG13 ILE 13 1.455 6.839 9.740 115 HG21 ILE 13 HG21 ILE 13 3.773 8.309 12.286 116 HG22 ILE 13 HG22 ILE 13 4.679 8.309 10.774 117 HG23 ILE 13 HG23 ILE 13 4.004 9.814 11.397 118 HD11 ILE 13 HD11 ILE 13 3.107 5.732 8.772 119 HD12 ILE 13 HD12 ILE 13 4.168 7.073 9.202 120 HD13 ILE 13 HD13 ILE 13 4.033 5.678 10.272 121 H ILE 14 H ILE 14 0.785 10.952 9.651 122 HA ILE 14 HA ILE 14 2.339 13.034 10.846 123 HB ILE 14 HB ILE 14 0.313 13.023 8.619 124 HG12 ILE 14 HG12 ILE 14 3.296 13.528 8.671 125 HG13 ILE 14 HG13 ILE 14 2.525 12.030 8.163 126 HG21 ILE 14 HG21 ILE 14 1.020 15.378 8.197 127 HG22 ILE 14 HG22 ILE 14 0.068 15.158 9.665 128 HG23 ILE 14 HG23 ILE 14 1.816 15.365 9.770 129 HD11 ILE 14 HD11 ILE 14 1.317 13.480 6.429 130 HD12 ILE 14 HD12 ILE 14 2.548 14.689 6.798 131 HD13 ILE 14 HD13 ILE 14 3.022 13.109 6.174 132 H SER 15 H SER 15 -1.153 12.412 10.565 133 HA SER 15 HA SER 15 -1.945 14.681 12.063 134 HB2 SER 15 HB2 SER 15 -4.153 13.665 12.100 135 HB3 SER 15 HB3 SER 15 -3.441 13.448 10.501 136 HG SER 15 HG SER 15 -4.275 11.584 12.253 137 H ASN 16 H ASN 16 -0.519 11.761 12.985 138 HA ASN 16 HA ASN 16 -1.641 11.815 15.681 139 HB2 ASN 16 HB2 ASN 16 -0.121 9.836 14.061 140 HB3 ASN 16 HB3 ASN 16 0.107 9.790 15.807 141 HD21 ASN 16 HD21 ASN 16 -2.398 9.827 13.316 142 HD22 ASN 16 HD22 ASN 16 -3.523 8.845 14.185 143 H HIS 17 H HIS 17 1.458 12.162 14.007 144 HA HIS 17 HA HIS 17 3.010 12.567 16.346 145 HB2 HIS 17 HB2 HIS 17 3.943 11.891 14.136 146 HB3 HIS 17 HB3 HIS 17 3.600 13.510 13.533 147 HD1 HIS 17 HD1 HIS 17 6.231 11.576 15.005 148 HD2 HIS 17 HD2 HIS 17 5.054 15.557 15.166 149 HE1 HIS 17 HE1 HIS 17 8.241 12.838 15.836 150 H PHE 18 H PHE 18 1.571 14.812 13.997 151 HA PHE 18 HA PHE 18 2.269 17.062 15.732 152 HB2 PHE 18 HB2 PHE 18 1.000 17.129 12.988 153 HB3 PHE 18 HB3 PHE 18 1.699 18.487 13.865 154 HD1 PHE 18 HD1 PHE 18 4.171 18.520 14.282 155 HD2 PHE 18 HD2 PHE 18 2.325 15.739 11.642 156 HE1 PHE 18 HE1 PHE 18 6.349 18.086 13.222 157 HE2 PHE 18 HE2 PHE 18 4.499 15.299 10.578 158 HZ PHE 18 HZ PHE 18 6.515 16.472 11.368 159 H ASP 19 H ASP 19 0.347 18.868 15.311 160 HA ASP 19 HA ASP 19 -1.999 17.627 16.566 161 HB2 ASP 19 HB2 ASP 19 -1.477 20.586 16.471 162 HB3 ASP 19 HB3 ASP 19 -2.431 19.669 17.634 163 H ILE 20 H ILE 20 -1.351 17.801 13.628 164 HA ILE 20 HA ILE 20 -3.326 19.615 12.559 165 HB ILE 20 HB ILE 20 -1.166 18.984 11.389 166 HG12 ILE 20 HG12 ILE 20 -3.670 18.504 9.767 167 HG13 ILE 20 HG13 ILE 20 -3.166 20.096 10.323 168 HG21 ILE 20 HG21 ILE 20 -1.330 16.562 11.806 169 HG22 ILE 20 HG22 ILE 20 -2.715 16.486 10.718 170 HG23 ILE 20 HG23 ILE 20 -1.129 16.938 10.094 171 HD11 ILE 20 HD11 ILE 20 -2.572 19.367 7.935 172 HD12 ILE 20 HD12 ILE 20 -1.326 20.139 8.917 173 HD13 ILE 20 HD13 ILE 20 -1.324 18.388 8.705 174 H GLU 21 H GLU 21 -5.078 18.882 11.152 175 HA GLU 21 HA GLU 21 -6.478 16.638 12.359 176 HB2 GLU 21 HB2 GLU 21 -7.229 19.027 10.798 177 HB3 GLU 21 HB3 GLU 21 -8.193 17.592 10.479 178 HG2 GLU 21 HG2 GLU 21 -9.216 17.675 12.470 179 HG3 GLU 21 HG3 GLU 21 -7.754 18.172 13.319 180 H ALA 22 H ALA 22 -6.560 14.679 11.493 181 HA ALA 22 HA ALA 22 -5.172 13.941 9.184 182 HB1 ALA 22 HB1 ALA 22 -7.427 12.217 9.994 183 HB2 ALA 22 HB2 ALA 22 -5.730 11.818 9.720 184 HB3 ALA 22 HB3 ALA 22 -6.225 12.573 11.235 185 H ASP 23 H ASP 23 -8.271 15.336 9.540 186 HA ASP 23 HA ASP 23 -9.157 14.440 6.901 187 HB2 ASP 23 HB2 ASP 23 -10.476 15.509 9.309 188 HB3 ASP 23 HB3 ASP 23 -11.126 16.109 7.785 189 H GLN 24 H GLN 24 -7.967 17.252 8.575 190 HA GLN 24 HA GLN 24 -8.653 19.094 6.472 191 HB2 GLN 24 HB2 GLN 24 -6.845 19.399 8.875 192 HB3 GLN 24 HB3 GLN 24 -7.285 20.704 7.782 193 HG2 GLN 24 HG2 GLN 24 -9.243 19.107 9.416 194 HG3 GLN 24 HG3 GLN 24 -8.592 20.679 9.876 195 HE21 GLN 24 HE21 GLN 24 -11.070 19.087 8.317 196 HE22 GLN 24 HE22 GLN 24 -11.757 20.427 7.471 197 H VAL 25 H VAL 25 -5.885 17.171 7.391 198 HA VAL 25 HA VAL 25 -3.797 18.348 6.085 199 HB VAL 25 HB VAL 25 -3.035 15.949 5.547 200 HG11 VAL 25 HG11 VAL 25 -3.668 16.890 8.335 201 HG12 VAL 25 HG12 VAL 25 -2.671 15.473 7.994 202 HG13 VAL 25 HG13 VAL 25 -2.156 17.069 7.445 203 HG21 VAL 25 HG21 VAL 25 -4.351 14.189 5.995 204 HG22 VAL 25 HG22 VAL 25 -4.980 14.912 7.476 205 HG23 VAL 25 HG23 VAL 25 -5.672 15.355 5.915 206 H THR 26 H THR 26 -3.942 19.299 4.145 207 HA THR 26 HA THR 26 -4.920 17.668 1.892 208 HB THR 26 HB THR 26 -6.509 19.454 2.275 209 HG1 THR 26 HG1 THR 26 -6.199 19.068 0.109 210 HG21 THR 26 HG21 THR 26 -5.912 21.783 2.262 211 HG22 THR 26 HG22 THR 26 -4.228 21.396 1.912 212 HG23 THR 26 HG23 THR 26 -4.925 20.966 3.473 213 H ASP 27 H ASP 27 -3.992 18.295 -0.222 214 HA ASP 27 HA ASP 27 -1.178 18.314 -0.130 215 HB2 ASP 27 HB2 ASP 27 -2.877 19.027 -2.524 216 HB3 ASP 27 HB3 ASP 27 -1.247 18.362 -2.527 217 H GLN 28 H GLN 28 -3.453 20.847 0.013 218 HA GLN 28 HA GLN 28 -1.503 22.851 -0.855 219 HB2 GLN 28 HB2 GLN 28 -4.448 22.758 -0.609 220 HB3 GLN 28 HB3 GLN 28 -3.696 24.298 -0.213 221 HG2 GLN 28 HG2 GLN 28 -4.373 24.239 -2.536 222 HG3 GLN 28 HG3 GLN 28 -2.619 24.344 -2.398 223 HE21 GLN 28 HE21 GLN 28 -1.945 23.377 -4.205 224 HE22 GLN 28 HE22 GLN 28 -2.341 21.762 -4.674 225 H LEU 29 H LEU 29 -1.677 21.242 1.784 226 HA LEU 29 HA LEU 29 -1.180 23.564 3.509 227 HB2 LEU 29 HB2 LEU 29 -3.015 21.263 4.012 228 HB3 LEU 29 HB3 LEU 29 -2.181 22.022 5.366 229 HG LEU 29 HG LEU 29 -4.069 23.403 3.459 230 HD11 LEU 29 HD11 LEU 29 -4.802 23.344 6.256 231 HD12 LEU 29 HD12 LEU 29 -4.658 21.721 5.583 232 HD13 LEU 29 HD13 LEU 29 -5.740 22.893 4.832 233 HD21 LEU 29 HD21 LEU 29 -2.517 24.379 5.847 234 HD22 LEU 29 HD22 LEU 29 -3.908 25.234 5.179 235 HD23 LEU 29 HD23 LEU 29 -2.465 24.990 4.193 236 H ASN 30 H ASN 30 1.039 22.972 2.874 237 HA ASN 30 HA ASN 30 2.276 20.554 3.443 238 HB2 ASN 30 HB2 ASN 30 3.521 22.109 2.181 239 HB3 ASN 30 HB3 ASN 30 3.305 23.383 3.377 240 HD21 ASN 30 HD21 ASN 30 4.287 20.021 3.826 241 HD22 ASN 30 HD22 ASN 30 5.836 20.379 4.502 242 H ILE 31 H ILE 31 2.746 19.514 5.263 243 HA ILE 31 HA ILE 31 1.989 20.525 7.798 244 HB ILE 31 HB ILE 31 3.643 18.112 7.058 245 HG12 ILE 31 HG12 ILE 31 1.209 17.351 8.199 246 HG13 ILE 31 HG13 ILE 31 0.800 18.698 7.142 247 HG21 ILE 31 HG21 ILE 31 2.825 17.460 9.476 248 HG22 ILE 31 HG22 ILE 31 4.311 18.375 9.227 249 HG23 ILE 31 HG23 ILE 31 2.831 19.209 9.699 250 HD11 ILE 31 HD11 ILE 31 2.558 16.577 6.053 251 HD12 ILE 31 HD12 ILE 31 0.850 16.205 6.285 252 HD13 ILE 31 HD13 ILE 31 1.327 17.555 5.255 253 H LYS 32 H LYS 32 5.134 20.050 6.235 254 HA LYS 32 HA LYS 32 6.859 20.621 8.282 255 HB2 LYS 32 HB2 LYS 32 7.518 20.002 5.965 256 HB3 LYS 32 HB3 LYS 32 7.128 21.636 5.446 257 HG2 LYS 32 HG2 LYS 32 8.996 21.465 7.705 258 HG3 LYS 32 HG3 LYS 32 9.592 20.807 6.179 259 HD2 LYS 32 HD2 LYS 32 8.561 23.082 5.256 260 HD3 LYS 32 HD3 LYS 32 8.897 23.599 6.910 261 HE2 LYS 32 HE2 LYS 32 11.157 22.166 6.000 262 HE3 LYS 32 HE3 LYS 32 10.702 23.288 4.718 263 HZ1 LYS 32 HZ1 LYS 32 11.173 24.020 7.558 264 HZ2 LYS 32 HZ2 LYS 32 10.761 25.092 6.316 265 HZ3 LYS 32 HZ3 LYS 32 12.251 24.291 6.282 266 H ASP 33 H ASP 33 5.120 22.941 6.243 267 HA ASP 33 HA ASP 33 6.188 25.184 7.746 268 HB2 ASP 33 HB2 ASP 33 5.807 25.247 5.251 269 HB3 ASP 33 HB3 ASP 33 4.078 25.241 5.585 270 H ASP 34 H ASP 34 2.923 23.973 6.969 271 HA ASP 34 HA ASP 34 1.410 25.574 8.580 272 HB2 ASP 34 HB2 ASP 34 0.511 23.836 7.053 273 HB3 ASP 34 HB3 ASP 34 0.993 22.600 8.211 274 H LEU 35 H LEU 35 2.744 22.418 9.580 275 HA LEU 35 HA LEU 35 2.126 22.937 12.346 276 HB2 LEU 35 HB2 LEU 35 3.461 20.699 10.869 277 HB3 LEU 35 HB3 LEU 35 3.498 20.772 12.629 278 HG LEU 35 HG LEU 35 1.746 19.279 11.893 279 HD11 LEU 35 HD11 LEU 35 1.466 20.950 13.850 280 HD12 LEU 35 HD12 LEU 35 0.060 20.056 13.273 281 HD13 LEU 35 HD13 LEU 35 0.296 21.736 12.790 282 HD21 LEU 35 HD21 LEU 35 0.299 19.688 10.226 283 HD22 LEU 35 HD22 LEU 35 1.476 20.909 9.742 284 HD23 LEU 35 HD23 LEU 35 0.068 21.371 10.699 285 H ASN 36 H ASN 36 4.749 23.537 10.242 286 HA ASN 36 HA ASN 36 6.765 24.548 10.553 287 HB2 ASN 36 HB2 ASN 36 5.172 25.649 12.488 288 HB3 ASN 36 HB3 ASN 36 6.496 24.994 13.448 289 HD21 ASN 36 HD21 ASN 36 6.105 27.660 13.407 290 HD22 ASN 36 HD22 ASN 36 7.358 28.442 12.511 291 H ALA 37 H ALA 37 6.321 21.675 11.053 292 HA ALA 37 HA ALA 37 7.672 20.600 13.183 293 HB1 ALA 37 HB1 ALA 37 8.011 19.506 10.408 294 HB2 ALA 37 HB2 ALA 37 7.915 18.630 11.936 295 HB3 ALA 37 HB3 ALA 37 6.477 19.407 11.273 296 H ASP 38 H ASP 38 9.786 20.133 13.696 297 HA ASP 38 HA ASP 38 11.766 21.947 12.877 298 HB2 ASP 38 HB2 ASP 38 11.563 19.689 14.704 299 HB3 ASP 38 HB3 ASP 38 13.142 19.769 13.927 300 H SER 39 H SER 39 14.003 21.092 12.123 301 HA SER 39 HA SER 39 13.592 19.968 9.501 302 HB2 SER 39 HB2 SER 39 16.350 20.403 10.516 303 HB3 SER 39 HB3 SER 39 15.635 20.846 8.966 304 HG SER 39 HG SER 39 15.651 22.767 9.850 305 H ILE 40 H ILE 40 15.464 19.061 12.387 306 HA ILE 40 HA ILE 40 16.602 16.717 11.507 307 HB ILE 40 HB ILE 40 15.472 17.245 14.258 308 HG12 ILE 40 HG12 ILE 40 17.105 18.934 13.507 309 HG13 ILE 40 HG13 ILE 40 17.738 17.958 14.828 310 HG21 ILE 40 HG21 ILE 40 15.890 14.875 13.895 311 HG22 ILE 40 HG22 ILE 40 17.527 15.235 13.349 312 HG23 ILE 40 HG23 ILE 40 17.067 15.550 15.022 313 HD11 ILE 40 HD11 ILE 40 19.441 18.328 13.163 314 HD12 ILE 40 HD12 ILE 40 19.000 16.620 13.203 315 HD13 ILE 40 HD13 ILE 40 18.399 17.657 11.909 316 H SER 41 H SER 41 13.361 17.169 12.882 317 HA SER 41 HA SER 41 12.520 14.552 13.039 318 HB2 SER 41 HB2 SER 41 10.622 16.616 11.984 319 HB3 SER 41 HB3 SER 41 10.356 15.374 13.208 320 HG SER 41 HG SER 41 11.736 16.602 14.596 321 H VAL 42 H VAL 42 12.742 16.623 10.208 322 HA VAL 42 HA VAL 42 11.283 15.145 8.371 323 HB VAL 42 HB VAL 42 13.855 16.624 7.803 324 HG11 VAL 42 HG11 VAL 42 13.510 15.768 5.760 325 HG12 VAL 42 HG12 VAL 42 11.848 15.305 6.129 326 HG13 VAL 42 HG13 VAL 42 12.217 16.962 5.647 327 HG21 VAL 42 HG21 VAL 42 11.011 17.606 7.976 328 HG22 VAL 42 HG22 VAL 42 12.379 18.107 8.969 329 HG23 VAL 42 HG23 VAL 42 12.332 18.527 7.257 330 H MET 43 H MET 43 14.595 14.692 9.494 331 HA MET 43 HA MET 43 15.370 12.738 7.627 332 HB2 MET 43 HB2 MET 43 16.689 14.076 9.524 333 HB3 MET 43 HB3 MET 43 16.418 12.581 10.408 334 HG2 MET 43 HG2 MET 43 18.262 11.825 9.440 335 HG3 MET 43 HG3 MET 43 17.319 11.714 7.956 336 HE1 MET 43 HE1 MET 43 20.165 14.498 9.648 337 HE2 MET 43 HE2 MET 43 20.076 12.739 9.730 338 HE3 MET 43 HE3 MET 43 21.077 13.515 8.501 339 H GLU 44 H GLU 44 13.356 12.584 10.436 340 HA GLU 44 HA GLU 44 13.516 9.697 10.647 341 HB2 GLU 44 HB2 GLU 44 11.774 11.710 12.079 342 HB3 GLU 44 HB3 GLU 44 11.808 9.988 12.430 343 HG2 GLU 44 HG2 GLU 44 13.884 10.084 13.402 344 HG3 GLU 44 HG3 GLU 44 14.348 11.538 12.520 345 H PHE 45 H PHE 45 11.010 12.097 9.850 346 HA PHE 45 HA PHE 45 8.987 10.293 9.182 347 HB2 PHE 45 HB2 PHE 45 9.463 13.032 7.988 348 HB3 PHE 45 HB3 PHE 45 7.940 12.149 7.991 349 HD1 PHE 45 HD1 PHE 45 7.504 11.225 10.602 350 HD2 PHE 45 HD2 PHE 45 9.403 14.836 9.390 351 HE1 PHE 45 HE1 PHE 45 6.910 12.255 12.756 352 HE2 PHE 45 HE2 PHE 45 8.814 15.872 11.542 353 HZ PHE 45 HZ PHE 45 7.567 14.581 13.229 354 H VAL 46 H VAL 46 11.528 11.734 7.184 355 HA VAL 46 HA VAL 46 10.660 10.658 4.720 356 HB VAL 46 HB VAL 46 12.304 12.532 4.980 357 HG11 VAL 46 HG11 VAL 46 13.646 11.278 6.735 358 HG12 VAL 46 HG12 VAL 46 14.367 10.386 5.394 359 HG13 VAL 46 HG13 VAL 46 14.566 12.136 5.499 360 HG21 VAL 46 HG21 VAL 46 11.932 11.199 2.871 361 HG22 VAL 46 HG22 VAL 46 13.484 12.028 2.985 362 HG23 VAL 46 HG23 VAL 46 13.388 10.293 3.285 363 H LEU 47 H LEU 47 12.301 9.273 7.405 364 HA LEU 47 HA LEU 47 13.469 7.087 5.928 365 HB2 LEU 47 HB2 LEU 47 14.288 8.147 8.135 366 HB3 LEU 47 HB3 LEU 47 13.063 7.134 8.896 367 HG LEU 47 HG LEU 47 14.240 5.179 7.704 368 HD11 LEU 47 HD11 LEU 47 15.640 6.361 6.187 369 HD12 LEU 47 HD12 LEU 47 16.686 5.612 7.393 370 HD13 LEU 47 HD13 LEU 47 16.328 7.336 7.486 371 HD21 LEU 47 HD21 LEU 47 16.022 6.364 9.763 372 HD22 LEU 47 HD22 LEU 47 15.364 4.732 9.636 373 HD23 LEU 47 HD23 LEU 47 14.341 6.055 10.200 374 H GLU 48 H GLU 48 10.914 7.335 8.408 375 HA GLU 48 HA GLU 48 10.014 4.733 8.362 376 HB2 GLU 48 HB2 GLU 48 7.777 5.702 9.027 377 HB3 GLU 48 HB3 GLU 48 9.145 6.203 10.011 378 HG2 GLU 48 HG2 GLU 48 9.260 8.299 8.694 379 HG3 GLU 48 HG3 GLU 48 7.796 7.801 7.849 380 H LEU 49 H LEU 49 8.977 7.423 6.287 381 HA LEU 49 HA LEU 49 7.041 5.995 4.834 382 HB2 LEU 49 HB2 LEU 49 8.711 8.305 3.859 383 HB3 LEU 49 HB3 LEU 49 7.151 7.787 3.224 384 HG LEU 49 HG LEU 49 7.360 8.665 6.072 385 HD11 LEU 49 HD11 LEU 49 8.489 10.351 4.533 386 HD12 LEU 49 HD12 LEU 49 7.169 10.940 5.543 387 HD13 LEU 49 HD13 LEU 49 6.890 10.609 3.833 388 HD21 LEU 49 HD21 LEU 49 5.174 9.053 4.040 389 HD22 LEU 49 HD22 LEU 49 5.070 9.219 5.793 390 HD23 LEU 49 HD23 LEU 49 5.300 7.626 5.069 391 H GLU 50 H GLU 50 10.508 6.409 4.369 392 HA GLU 50 HA GLU 50 10.590 5.151 1.811 393 HB2 GLU 50 HB2 GLU 50 12.459 6.438 2.072 394 HB3 GLU 50 HB3 GLU 50 12.574 6.114 3.796 395 HG2 GLU 50 HG2 GLU 50 13.725 4.138 3.485 396 HG3 GLU 50 HG3 GLU 50 13.151 3.945 1.830 397 H ASP 51 H ASP 51 10.689 4.035 5.100 398 HA ASP 51 HA ASP 51 11.655 1.400 4.411 399 HB2 ASP 51 HB2 ASP 51 12.153 2.494 6.605 400 HB3 ASP 51 HB3 ASP 51 10.446 2.347 7.016 401 H GLU 52 H GLU 52 8.635 2.590 5.900 402 HA GLU 52 HA GLU 52 7.158 0.274 5.737 403 HB2 GLU 52 HB2 GLU 52 6.494 3.165 5.812 404 HB3 GLU 52 HB3 GLU 52 5.208 2.073 5.317 405 HG2 GLU 52 HG2 GLU 52 6.789 1.754 7.855 406 HG3 GLU 52 HG3 GLU 52 5.255 2.617 7.749 407 H PHE 53 H PHE 53 7.034 2.940 3.367 408 HA PHE 53 HA PHE 53 5.582 1.410 1.458 409 HB2 PHE 53 HB2 PHE 53 7.213 3.887 0.893 410 HB3 PHE 53 HB3 PHE 53 5.816 3.292 0.002 411 HD1 PHE 53 HD1 PHE 53 4.111 2.618 2.428 412 HD2 PHE 53 HD2 PHE 53 6.413 6.049 1.405 413 HE1 PHE 53 HE1 PHE 53 2.633 4.018 3.810 414 HE2 PHE 53 HE2 PHE 53 4.939 7.454 2.786 415 HZ PHE 53 HZ PHE 53 3.047 6.439 3.992 416 H GLY 54 H GLY 54 8.958 1.881 2.134 417 HA2 GLY 54 HA2 GLY 54 10.787 0.717 1.345 418 HA3 GLY 54 HA3 GLY 54 9.689 -0.266 0.388 419 H THR 55 H THR 55 10.640 3.172 0.435 420 HA THR 55 HA THR 55 11.453 2.918 -2.371 421 HB THR 55 HB THR 55 9.177 3.784 -2.454 422 HG1 THR 55 HG1 THR 55 9.719 5.824 -3.508 423 HG21 THR 55 HG21 THR 55 9.788 6.361 -1.197 424 HG22 THR 55 HG22 THR 55 9.747 5.003 -0.072 425 HG23 THR 55 HG23 THR 55 8.344 5.357 -1.079 426 H GLU 56 H GLU 56 13.063 4.340 -3.031 427 HA GLU 56 HA GLU 56 14.636 5.466 -0.874 428 HB2 GLU 56 HB2 GLU 56 15.571 4.127 -2.835 429 HB3 GLU 56 HB3 GLU 56 15.287 5.559 -3.815 430 HG2 GLU 56 HG2 GLU 56 17.363 6.128 -3.250 431 HG3 GLU 56 HG3 GLU 56 16.660 6.594 -1.702 432 H ILE 57 H ILE 57 14.553 7.517 -0.260 433 HA ILE 57 HA ILE 57 13.303 9.474 -2.065 434 HB ILE 57 HB ILE 57 13.641 9.576 0.935 435 HG12 ILE 57 HG12 ILE 57 10.968 9.620 -0.341 436 HG13 ILE 57 HG13 ILE 57 11.837 8.091 -0.425 437 HG21 ILE 57 HG21 ILE 57 12.230 11.591 0.811 438 HG22 ILE 57 HG22 ILE 57 13.774 11.798 -0.015 439 HG23 ILE 57 HG23 ILE 57 12.305 11.514 -0.949 440 HD11 ILE 57 HD11 ILE 57 10.595 7.888 1.509 441 HD12 ILE 57 HD12 ILE 57 12.166 8.413 2.113 442 HD13 ILE 57 HD13 ILE 57 10.845 9.572 1.969 443 H SER 58 H SER 58 14.607 10.864 -3.035 444 HA SER 58 HA SER 58 17.345 11.060 -2.646 445 HB2 SER 58 HB2 SER 58 15.893 11.902 -4.612 446 HB3 SER 58 HB3 SER 58 15.721 13.381 -3.667 447 HG SER 58 HG SER 58 17.896 12.407 -5.045 448 H ASP 59 H ASP 59 18.580 13.008 -1.967 449 HA ASP 59 HA ASP 59 17.769 13.772 0.694 450 HB2 ASP 59 HB2 ASP 59 20.244 13.993 -0.942 451 HB3 ASP 59 HB3 ASP 59 20.028 15.165 0.355 452 H GLU 60 H GLU 60 17.868 15.215 -2.471 453 HA GLU 60 HA GLU 60 17.486 17.906 -1.499 454 HB2 GLU 60 HB2 GLU 60 17.043 16.999 -4.332 455 HB3 GLU 60 HB3 GLU 60 17.534 18.585 -3.755 456 HG2 GLU 60 HG2 GLU 60 19.677 17.531 -2.986 457 HG3 GLU 60 HG3 GLU 60 19.179 16.073 -3.842 458 H ASP 61 H ASP 61 15.520 15.770 -3.576 459 HA ASP 61 HA ASP 61 13.175 17.242 -3.502 460 HB2 ASP 61 HB2 ASP 61 13.829 14.378 -3.996 461 HB3 ASP 61 HB3 ASP 61 12.138 14.796 -3.732 462 H ALA 62 H ALA 62 14.543 15.124 -1.105 463 HA ALA 62 HA ALA 62 12.294 14.550 0.438 464 HB1 ALA 62 HB1 ALA 62 14.190 14.705 2.336 465 HB2 ALA 62 HB2 ALA 62 14.034 13.344 1.223 466 HB3 ALA 62 HB3 ALA 62 15.207 14.620 0.897 467 H GLU 63 H GLU 63 13.880 17.530 -0.084 468 HA GLU 63 HA GLU 63 12.947 18.750 2.375 469 HB2 GLU 63 HB2 GLU 63 15.131 19.341 1.236 470 HB3 GLU 63 HB3 GLU 63 14.175 20.132 -0.009 471 HG2 GLU 63 HG2 GLU 63 14.036 21.963 1.215 472 HG3 GLU 63 HG3 GLU 63 13.304 21.058 2.538 473 H LYS 64 H LYS 64 11.884 18.341 -0.875 474 HA LYS 64 HA LYS 64 9.886 20.462 -0.632 475 HB2 LYS 64 HB2 LYS 64 10.226 18.640 -3.001 476 HB3 LYS 64 HB3 LYS 64 9.529 20.254 -2.952 477 HG2 LYS 64 HG2 LYS 64 12.438 19.610 -2.519 478 HG3 LYS 64 HG3 LYS 64 11.735 20.206 -4.024 479 HD2 LYS 64 HD2 LYS 64 11.621 22.319 -3.268 480 HD3 LYS 64 HD3 LYS 64 11.069 21.816 -1.668 481 HE2 LYS 64 HE2 LYS 64 13.098 22.222 -0.865 482 HE3 LYS 64 HE3 LYS 64 13.751 20.972 -1.923 483 HZ1 LYS 64 HZ1 LYS 64 14.928 22.921 -2.423 484 HZ2 LYS 64 HZ2 LYS 64 13.532 23.876 -2.455 485 HZ3 LYS 64 HZ3 LYS 64 13.816 22.753 -3.688 486 H ILE 65 H ILE 65 10.108 16.957 -1.107 487 HA ILE 65 HA ILE 65 7.277 16.557 -1.091 488 HB ILE 65 HB ILE 65 7.854 14.143 -0.838 489 HG12 ILE 65 HG12 ILE 65 10.689 14.516 -1.400 490 HG13 ILE 65 HG13 ILE 65 10.241 15.133 0.186 491 HG21 ILE 65 HG21 ILE 65 9.465 15.457 -3.013 492 HG22 ILE 65 HG22 ILE 65 8.665 13.887 -3.052 493 HG23 ILE 65 HG23 ILE 65 7.704 15.365 -3.034 494 HD11 ILE 65 HD11 ILE 65 10.319 12.365 -0.823 495 HD12 ILE 65 HD12 ILE 65 10.676 13.006 0.781 496 HD13 ILE 65 HD13 ILE 65 9.002 12.770 0.278 497 H GLU 66 H GLU 66 7.325 18.023 0.991 498 HA GLU 66 HA GLU 66 7.308 16.208 3.314 499 HB2 GLU 66 HB2 GLU 66 7.903 19.173 3.321 500 HB3 GLU 66 HB3 GLU 66 7.862 18.125 4.733 501 HG2 GLU 66 HG2 GLU 66 9.683 16.782 3.454 502 HG3 GLU 66 HG3 GLU 66 9.887 18.281 2.551 503 H THR 67 H THR 67 5.260 17.293 1.257 504 HA THR 67 HA THR 67 3.300 18.280 3.224 505 HB THR 67 HB THR 67 2.356 19.664 1.680 506 HG1 THR 67 HG1 THR 67 2.570 19.152 -0.661 507 HG21 THR 67 HG21 THR 67 4.003 20.900 0.650 508 HG22 THR 67 HG22 THR 67 4.876 19.472 0.093 509 HG23 THR 67 HG23 THR 67 4.968 19.957 1.786 510 H VAL 68 H VAL 68 1.031 17.645 2.787 511 HA VAL 68 HA VAL 68 0.641 14.928 2.826 512 HB VAL 68 HB VAL 68 -1.339 16.972 1.812 513 HG11 VAL 68 HG11 VAL 68 -1.960 14.649 1.305 514 HG12 VAL 68 HG12 VAL 68 -1.804 14.245 3.015 515 HG13 VAL 68 HG13 VAL 68 -3.045 15.382 2.486 516 HG21 VAL 68 HG21 VAL 68 -2.143 17.032 4.132 517 HG22 VAL 68 HG22 VAL 68 -0.822 15.966 4.610 518 HG23 VAL 68 HG23 VAL 68 -0.473 17.583 4.001 519 H GLY 69 H GLY 69 0.284 17.090 0.017 520 HA2 GLY 69 HA2 GLY 69 -0.200 14.863 -1.762 521 HA3 GLY 69 HA3 GLY 69 -0.072 16.556 -2.216 522 H ALA 70 H ALA 70 2.451 17.140 -1.167 523 HA ALA 70 HA ALA 70 4.128 16.307 -3.250 524 HB1 ALA 70 HB1 ALA 70 4.279 18.308 -1.534 525 HB2 ALA 70 HB2 ALA 70 5.336 17.184 -0.680 526 HB3 ALA 70 HB3 ALA 70 5.715 17.667 -2.333 527 H ALA 71 H ALA 71 3.225 14.717 -0.374 528 HA ALA 71 HA ALA 71 5.592 13.041 -0.249 529 HB1 ALA 71 HB1 ALA 71 4.687 13.591 1.862 530 HB2 ALA 71 HB2 ALA 71 3.056 13.136 1.365 531 HB3 ALA 71 HB3 ALA 71 4.288 11.894 1.588 532 H VAL 72 H VAL 72 2.106 12.292 -0.436 533 HA VAL 72 HA VAL 72 2.381 9.668 -1.309 534 HB VAL 72 HB VAL 72 0.255 10.477 -0.501 535 HG11 VAL 72 HG11 VAL 72 0.568 12.778 -1.537 536 HG12 VAL 72 HG12 VAL 72 -0.077 12.078 -3.023 537 HG13 VAL 72 HG13 VAL 72 -1.065 12.112 -1.562 538 HG21 VAL 72 HG21 VAL 72 -0.128 9.788 -3.405 539 HG22 VAL 72 HG22 VAL 72 0.370 8.606 -2.195 540 HG23 VAL 72 HG23 VAL 72 -1.191 9.414 -2.048 541 H ASP 73 H ASP 73 2.167 12.661 -3.177 542 HA ASP 73 HA ASP 73 1.966 11.528 -5.730 543 HB2 ASP 73 HB2 ASP 73 1.608 13.938 -5.193 544 HB3 ASP 73 HB3 ASP 73 3.350 14.116 -4.997 545 H TYR 74 H TYR 74 4.644 11.804 -3.569 546 HA TYR 74 HA TYR 74 6.611 11.290 -5.647 547 HB2 TYR 74 HB2 TYR 74 7.135 12.831 -3.779 548 HB3 TYR 74 HB3 TYR 74 6.975 11.490 -2.650 549 HD1 TYR 74 HD2 TYR 74 8.825 12.307 -5.798 550 HD2 TYR 74 HD1 TYR 74 8.918 10.459 -1.967 551 HE1 TYR 74 HE2 TYR 74 11.198 11.752 -6.129 552 HE2 TYR 74 HE1 TYR 74 11.291 9.900 -2.287 553 HH TYR 74 HH TYR 74 12.889 9.601 -4.068 554 H ILE 75 H ILE 75 5.525 9.698 -2.648 555 HA ILE 75 HA ILE 75 6.967 7.332 -2.952 556 HB ILE 75 HB ILE 75 4.241 7.577 -1.679 557 HG12 ILE 75 HG12 ILE 75 5.696 9.289 -0.763 558 HG13 ILE 75 HG13 ILE 75 5.497 8.003 0.422 559 HG21 ILE 75 HG21 ILE 75 4.559 5.540 -0.771 560 HG22 ILE 75 HG22 ILE 75 5.646 5.321 -2.142 561 HG23 ILE 75 HG23 ILE 75 6.294 5.784 -0.568 562 HD11 ILE 75 HD11 ILE 75 7.763 7.355 -1.118 563 HD12 ILE 75 HD12 ILE 75 7.889 9.061 -0.690 564 HD13 ILE 75 HD13 ILE 75 7.692 7.847 0.574 565 H VAL 76 H VAL 76 3.733 8.194 -4.111 566 HA VAL 76 HA VAL 76 3.142 5.640 -5.209 567 HB VAL 76 HB VAL 76 1.973 8.349 -5.864 568 HG11 VAL 76 HG11 VAL 76 1.404 7.047 -7.703 569 HG12 VAL 76 HG12 VAL 76 1.246 5.578 -6.739 570 HG13 VAL 76 HG13 VAL 76 0.022 6.843 -6.628 571 HG21 VAL 76 HG21 VAL 76 1.728 7.551 -3.509 572 HG22 VAL 76 HG22 VAL 76 0.201 7.778 -4.361 573 HG23 VAL 76 HG23 VAL 76 0.849 6.154 -4.130 574 H SER 77 H SER 77 3.888 8.724 -6.849 575 HA SER 77 HA SER 77 4.152 7.753 -9.417 576 HB2 SER 77 HB2 SER 77 4.150 10.148 -8.887 577 HB3 SER 77 HB3 SER 77 5.735 9.992 -8.130 578 HG SER 77 HG SER 77 6.584 9.424 -10.152 579 H ASN 78 H ASN 78 6.379 7.535 -6.748 580 HA ASN 78 HA ASN 78 8.587 6.655 -8.395 581 HB2 ASN 78 HB2 ASN 78 8.933 7.974 -6.309 582 HB3 ASN 78 HB3 ASN 78 8.319 6.609 -5.382 583 HD21 ASN 78 HD21 ASN 78 11.035 8.076 -6.616 584 HD22 ASN 78 HD22 ASN 78 12.150 6.767 -6.446 585 H SER 79 H SER 79 6.171 5.226 -6.275 586 HA SER 79 HA SER 79 5.486 3.079 -5.964 587 HB2 SER 79 HB2 SER 79 5.793 3.256 -8.610 588 HB3 SER 79 HB3 SER 79 7.054 2.065 -8.287 589 HG SER 79 HG SER 79 4.979 1.129 -8.708 Start of MODEL 2 1 H1 MET 1 H MET 1 2.755 0.580 1.412 2 HA MET 1 HA MET 1 3.758 0.197 -0.594 3 HB2 MET 1 HB2 MET 1 1.591 -1.866 -1.000 4 HB3 MET 1 HB3 MET 1 3.191 -1.845 -1.728 5 HG2 MET 1 HG2 MET 1 3.872 -3.152 -0.082 6 HG3 MET 1 HG3 MET 1 3.656 -1.787 1.012 7 HE1 MET 1 HE1 MET 1 2.173 -4.874 2.968 8 HE2 MET 1 HE2 MET 1 3.428 -5.040 1.740 9 HE3 MET 1 HE3 MET 1 3.481 -3.695 2.881 10 H THR 2 H THR 2 0.222 0.114 -0.961 11 HA THR 2 HA THR 2 0.418 1.310 -3.604 12 HB THR 2 HB THR 2 -1.244 -0.482 -3.167 13 HG1 THR 2 HG1 THR 2 -1.662 0.994 -4.842 14 HG21 THR 2 HG21 THR 2 -2.824 -0.377 -1.561 15 HG22 THR 2 HG22 THR 2 -3.108 1.345 -1.813 16 HG23 THR 2 HG23 THR 2 -1.747 0.811 -0.827 17 H ARG 3 H ARG 3 -1.256 3.109 -4.053 18 HA ARG 3 HA ARG 3 -0.478 5.414 -2.691 19 HB2 ARG 3 HB2 ARG 3 -2.317 6.534 -3.890 20 HB3 ARG 3 HB3 ARG 3 -1.378 5.490 -4.948 21 HG2 ARG 3 HG2 ARG 3 -3.111 3.761 -4.757 22 HG3 ARG 3 HG3 ARG 3 -4.059 4.847 -3.739 23 HD2 ARG 3 HD2 ARG 3 -3.505 6.403 -5.930 24 HD3 ARG 3 HD3 ARG 3 -3.722 4.804 -6.640 25 HE ARG 3 HE ARG 3 -5.813 5.327 -4.828 26 HH11 ARG 3 HH11 ARG 3 -4.640 6.294 -7.959 27 HH12 ARG 3 HH12 ARG 3 -6.209 6.713 -8.563 28 HH21 ARG 3 HH21 ARG 3 -7.885 5.875 -5.610 29 HH22 ARG 3 HH22 ARG 3 -8.054 6.475 -7.225 30 H GLU 4 H GLU 4 -3.200 3.257 -2.177 31 HA GLU 4 HA GLU 4 -4.657 4.906 -0.408 32 HB2 GLU 4 HB2 GLU 4 -4.863 2.262 -1.457 33 HB3 GLU 4 HB3 GLU 4 -5.042 2.172 0.289 34 HG2 GLU 4 HG2 GLU 4 -6.600 4.123 -1.369 35 HG3 GLU 4 HG3 GLU 4 -7.152 2.473 -1.091 36 H GLU 5 H GLU 5 -2.672 2.041 0.368 37 HA GLU 5 HA GLU 5 -2.636 2.312 3.109 38 HB2 GLU 5 HB2 GLU 5 -0.703 1.136 1.150 39 HB3 GLU 5 HB3 GLU 5 -0.258 1.232 2.848 40 HG2 GLU 5 HG2 GLU 5 -2.749 0.151 2.999 41 HG3 GLU 5 HG3 GLU 5 -2.148 -0.539 1.492 42 H VAL 6 H VAL 6 -0.473 3.805 0.735 43 HA VAL 6 HA VAL 6 1.278 5.032 2.560 44 HB VAL 6 HB VAL 6 0.519 5.902 -0.232 45 HG11 VAL 6 HG11 VAL 6 3.137 6.706 0.420 46 HG12 VAL 6 HG12 VAL 6 1.732 7.729 0.117 47 HG13 VAL 6 HG13 VAL 6 2.105 7.207 1.760 48 HG21 VAL 6 HG21 VAL 6 2.024 4.438 -1.044 49 HG22 VAL 6 HG22 VAL 6 3.136 4.672 0.304 50 HG23 VAL 6 HG23 VAL 6 1.748 3.598 0.482 51 H LEU 7 H LEU 7 -1.515 6.398 0.813 52 HA LEU 7 HA LEU 7 -1.483 8.942 1.887 53 HB2 LEU 7 HB2 LEU 7 -2.966 8.560 0.123 54 HB3 LEU 7 HB3 LEU 7 -3.708 7.179 0.929 55 HG LEU 7 HG LEU 7 -4.851 8.657 2.474 56 HD11 LEU 7 HD11 LEU 7 -4.657 11.199 1.594 57 HD12 LEU 7 HD12 LEU 7 -3.006 10.641 1.327 58 HD13 LEU 7 HD13 LEU 7 -3.719 10.545 2.937 59 HD21 LEU 7 HD21 LEU 7 -5.206 9.672 -0.341 60 HD22 LEU 7 HD22 LEU 7 -6.406 9.655 0.952 61 HD23 LEU 7 HD23 LEU 7 -5.845 8.138 0.248 62 H GLN 8 H GLN 8 -3.100 6.047 3.160 63 HA GLN 8 HA GLN 8 -4.299 7.254 5.384 64 HB2 GLN 8 HB2 GLN 8 -3.563 4.471 4.628 65 HB3 GLN 8 HB3 GLN 8 -3.951 4.781 6.315 66 HG2 GLN 8 HG2 GLN 8 -6.132 5.553 5.749 67 HG3 GLN 8 HG3 GLN 8 -5.752 5.528 4.027 68 HE21 GLN 8 HE21 GLN 8 -7.024 3.811 6.625 69 HE22 GLN 8 HE22 GLN 8 -7.168 2.268 5.862 70 H LYS 9 H LYS 9 -1.337 5.263 5.330 71 HA LYS 9 HA LYS 9 -0.498 5.621 7.909 72 HB2 LYS 9 HB2 LYS 9 0.713 4.828 5.417 73 HB3 LYS 9 HB3 LYS 9 1.847 5.785 6.360 74 HG2 LYS 9 HG2 LYS 9 2.191 3.500 6.909 75 HG3 LYS 9 HG3 LYS 9 1.407 4.268 8.291 76 HD2 LYS 9 HD2 LYS 9 -0.416 3.083 6.305 77 HD3 LYS 9 HD3 LYS 9 0.598 1.933 7.180 78 HE2 LYS 9 HE2 LYS 9 -0.281 3.632 9.161 79 HE3 LYS 9 HE3 LYS 9 -1.681 3.502 8.098 80 HZ1 LYS 9 HZ1 LYS 9 -0.336 1.412 9.660 81 HZ2 LYS 9 HZ2 LYS 9 -1.125 0.978 8.228 82 HZ3 LYS 9 HZ3 LYS 9 -1.990 1.721 9.479 83 H VAL 10 H VAL 10 0.615 7.617 5.165 84 HA VAL 10 HA VAL 10 2.043 9.508 6.556 85 HB VAL 10 HB VAL 10 0.337 9.924 4.098 86 HG11 VAL 10 HG11 VAL 10 1.782 11.890 3.685 87 HG12 VAL 10 HG12 VAL 10 0.770 12.066 5.120 88 HG13 VAL 10 HG13 VAL 10 2.483 11.677 5.289 89 HG21 VAL 10 HG21 VAL 10 1.890 8.638 3.146 90 HG22 VAL 10 HG22 VAL 10 3.018 9.969 3.403 91 HG23 VAL 10 HG23 VAL 10 2.906 8.668 4.588 92 H ALA 11 H ALA 11 -1.437 9.525 5.848 93 HA ALA 11 HA ALA 11 -2.009 12.013 7.030 94 HB1 ALA 11 HB1 ALA 11 -3.875 9.659 6.797 95 HB2 ALA 11 HB2 ALA 11 -4.315 11.361 6.941 96 HB3 ALA 11 HB3 ALA 11 -3.513 10.778 5.483 97 H LYS 12 H LYS 12 -1.814 8.759 8.353 98 HA LYS 12 HA LYS 12 -2.882 9.448 10.912 99 HB2 LYS 12 HB2 LYS 12 -2.343 7.090 9.592 100 HB3 LYS 12 HB3 LYS 12 -1.099 7.126 10.835 101 HG2 LYS 12 HG2 LYS 12 -3.053 7.656 12.441 102 HG3 LYS 12 HG3 LYS 12 -4.070 7.033 11.140 103 HD2 LYS 12 HD2 LYS 12 -3.642 5.185 12.535 104 HD3 LYS 12 HD3 LYS 12 -2.562 4.984 11.154 105 HE2 LYS 12 HE2 LYS 12 -0.958 4.707 12.693 106 HE3 LYS 12 HE3 LYS 12 -1.028 6.460 12.865 107 HZ1 LYS 12 HZ1 LYS 12 -2.470 6.254 14.720 108 HZ2 LYS 12 HZ2 LYS 12 -1.178 5.195 14.986 109 HZ3 LYS 12 HZ3 LYS 12 -2.674 4.592 14.477 110 H ILE 13 H ILE 13 0.417 8.491 9.938 111 HA ILE 13 HA ILE 13 1.730 9.094 12.280 112 HB ILE 13 HB ILE 13 2.815 9.506 9.491 113 HG12 ILE 13 HG12 ILE 13 2.855 7.066 11.282 114 HG13 ILE 13 HG13 ILE 13 1.907 7.249 9.810 115 HG21 ILE 13 HG21 ILE 13 4.225 9.070 12.121 116 HG22 ILE 13 HG22 ILE 13 5.005 9.117 10.541 117 HG23 ILE 13 HG23 ILE 13 4.208 10.557 11.174 118 HD11 ILE 13 HD11 ILE 13 4.216 7.652 8.695 119 HD12 ILE 13 HD12 ILE 13 4.840 6.849 10.135 120 HD13 ILE 13 HD13 ILE 13 3.698 6.012 9.084 121 H ILE 14 H ILE 14 0.839 11.269 9.648 122 HA ILE 14 HA ILE 14 2.202 13.538 10.714 123 HB ILE 14 HB ILE 14 0.056 13.256 8.621 124 HG12 ILE 14 HG12 ILE 14 2.971 14.054 8.469 125 HG13 ILE 14 HG13 ILE 14 2.322 12.476 8.040 126 HG21 ILE 14 HG21 ILE 14 1.382 15.766 9.628 127 HG22 ILE 14 HG22 ILE 14 0.501 15.658 8.104 128 HG23 ILE 14 HG23 ILE 14 -0.340 15.385 9.629 129 HD11 ILE 14 HD11 ILE 14 2.576 13.540 6.001 130 HD12 ILE 14 HD12 ILE 14 0.866 13.772 6.366 131 HD13 ILE 14 HD13 ILE 14 2.010 15.089 6.626 132 H SER 15 H SER 15 -1.199 12.504 10.688 133 HA SER 15 HA SER 15 -2.184 14.717 12.143 134 HB2 SER 15 HB2 SER 15 -4.215 13.393 12.431 135 HB3 SER 15 HB3 SER 15 -3.617 13.224 10.780 136 HG SER 15 HG SER 15 -3.226 11.380 12.905 137 H ASN 16 H ASN 16 -0.367 12.004 13.091 138 HA ASN 16 HA ASN 16 -1.253 12.132 15.869 139 HB2 ASN 16 HB2 ASN 16 0.662 10.293 14.425 140 HB3 ASN 16 HB3 ASN 16 0.378 10.226 16.162 141 HD21 ASN 16 HD21 ASN 16 -2.273 10.556 16.397 142 HD22 ASN 16 HD22 ASN 16 -3.122 9.275 15.607 143 H HIS 17 H HIS 17 1.690 12.588 13.941 144 HA HIS 17 HA HIS 17 3.335 13.354 16.118 145 HB2 HIS 17 HB2 HIS 17 4.212 12.542 13.944 146 HB3 HIS 17 HB3 HIS 17 3.656 14.031 13.186 147 HD1 HIS 17 HD1 HIS 17 6.606 12.585 14.516 148 HD2 HIS 17 HD2 HIS 17 4.936 16.387 14.621 149 HE1 HIS 17 HE1 HIS 17 8.501 14.136 15.086 150 H PHE 18 H PHE 18 1.560 15.228 13.676 151 HA PHE 18 HA PHE 18 2.180 17.695 15.114 152 HB2 PHE 18 HB2 PHE 18 0.735 17.290 12.486 153 HB3 PHE 18 HB3 PHE 18 1.211 18.840 13.172 154 HD1 PHE 18 HD1 PHE 18 3.575 19.480 13.271 155 HD2 PHE 18 HD2 PHE 18 2.311 15.881 11.383 156 HE1 PHE 18 HE1 PHE 18 5.751 19.316 12.135 157 HE2 PHE 18 HE2 PHE 18 4.485 15.710 10.245 158 HZ PHE 18 HZ PHE 18 6.209 17.428 10.621 159 H ASP 19 H ASP 19 0.112 19.297 14.803 160 HA ASP 19 HA ASP 19 -2.009 17.989 16.351 161 HB2 ASP 19 HB2 ASP 19 -0.648 20.423 16.684 162 HB3 ASP 19 HB3 ASP 19 -2.274 20.861 16.164 163 H ILE 20 H ILE 20 -1.640 17.990 13.353 164 HA ILE 20 HA ILE 20 -3.858 19.549 12.361 165 HB ILE 20 HB ILE 20 -1.760 19.015 11.036 166 HG12 ILE 20 HG12 ILE 20 -4.347 18.222 9.690 167 HG13 ILE 20 HG13 ILE 20 -3.936 19.885 10.096 168 HG21 ILE 20 HG21 ILE 20 -3.137 16.371 10.601 169 HG22 ILE 20 HG22 ILE 20 -1.604 16.904 9.912 170 HG23 ILE 20 HG23 ILE 20 -1.735 16.602 11.645 171 HD11 ILE 20 HD11 ILE 20 -2.641 20.096 8.307 172 HD12 ILE 20 HD12 ILE 20 -1.833 18.557 8.608 173 HD13 ILE 20 HD13 ILE 20 -3.368 18.593 7.740 174 H GLU 21 H GLU 21 -5.651 18.566 11.170 175 HA GLU 21 HA GLU 21 -6.729 16.307 12.651 176 HB2 GLU 21 HB2 GLU 21 -7.834 18.494 10.998 177 HB3 GLU 21 HB3 GLU 21 -8.692 16.963 10.902 178 HG2 GLU 21 HG2 GLU 21 -9.397 17.057 13.063 179 HG3 GLU 21 HG3 GLU 21 -8.004 17.997 13.594 180 H ALA 22 H ALA 22 -6.715 14.290 11.923 181 HA ALA 22 HA ALA 22 -5.464 13.492 9.564 182 HB1 ALA 22 HB1 ALA 22 -6.897 12.215 11.733 183 HB2 ALA 22 HB2 ALA 22 -7.181 11.410 10.189 184 HB3 ALA 22 HB3 ALA 22 -5.534 11.629 10.780 185 H ASP 23 H ASP 23 -8.629 14.683 10.072 186 HA ASP 23 HA ASP 23 -9.637 13.547 7.574 187 HB2 ASP 23 HB2 ASP 23 -10.844 14.692 10.001 188 HB3 ASP 23 HB3 ASP 23 -11.638 15.166 8.502 189 H GLN 24 H GLN 24 -8.540 16.554 8.955 190 HA GLN 24 HA GLN 24 -9.485 18.168 6.762 191 HB2 GLN 24 HB2 GLN 24 -7.581 18.811 9.021 192 HB3 GLN 24 HB3 GLN 24 -8.210 19.982 7.869 193 HG2 GLN 24 HG2 GLN 24 -9.891 18.352 9.760 194 HG3 GLN 24 HG3 GLN 24 -9.382 20.018 10.032 195 HE21 GLN 24 HE21 GLN 24 -9.873 21.442 8.008 196 HE22 GLN 24 HE22 GLN 24 -11.487 21.304 7.409 197 H VAL 25 H VAL 25 -6.524 16.552 7.683 198 HA VAL 25 HA VAL 25 -4.606 17.774 6.175 199 HB VAL 25 HB VAL 25 -3.617 15.461 5.826 200 HG11 VAL 25 HG11 VAL 25 -4.356 16.593 8.496 201 HG12 VAL 25 HG12 VAL 25 -3.414 15.105 8.383 202 HG13 VAL 25 HG13 VAL 25 -2.796 16.597 7.673 203 HG21 VAL 25 HG21 VAL 25 -4.735 13.699 7.283 204 HG22 VAL 25 HG22 VAL 25 -6.169 14.725 7.235 205 HG23 VAL 25 HG23 VAL 25 -5.509 14.061 5.741 206 H THR 26 H THR 26 -4.851 18.518 4.164 207 HA THR 26 HA THR 26 -5.740 16.622 2.096 208 HB THR 26 HB THR 26 -7.569 18.189 2.482 209 HG1 THR 26 HG1 THR 26 -7.768 18.857 0.333 210 HG21 THR 26 HG21 THR 26 -7.110 20.627 1.790 211 HG22 THR 26 HG22 THR 26 -5.415 20.245 2.094 212 HG23 THR 26 HG23 THR 26 -6.596 20.111 3.396 213 H ASP 27 H ASP 27 -5.054 17.309 -0.122 214 HA ASP 27 HA ASP 27 -2.269 17.716 -0.198 215 HB2 ASP 27 HB2 ASP 27 -2.503 17.736 -2.614 216 HB3 ASP 27 HB3 ASP 27 -3.548 16.491 -1.935 217 H GLN 28 H GLN 28 -4.840 19.917 0.061 218 HA GLN 28 HA GLN 28 -3.277 22.136 -1.031 219 HB2 GLN 28 HB2 GLN 28 -6.155 21.800 -0.250 220 HB3 GLN 28 HB3 GLN 28 -5.460 23.407 -0.414 221 HG2 GLN 28 HG2 GLN 28 -5.062 23.128 -2.700 222 HG3 GLN 28 HG3 GLN 28 -5.260 21.379 -2.609 223 HE21 GLN 28 HE21 GLN 28 -6.931 24.455 -2.500 224 HE22 GLN 28 HE22 GLN 28 -8.490 23.839 -2.917 225 H LEU 29 H LEU 29 -2.974 20.606 1.647 226 HA LEU 29 HA LEU 29 -2.647 23.032 3.269 227 HB2 LEU 29 HB2 LEU 29 -4.249 20.649 3.864 228 HB3 LEU 29 HB3 LEU 29 -3.156 21.137 5.158 229 HG LEU 29 HG LEU 29 -4.198 23.356 5.195 230 HD11 LEU 29 HD11 LEU 29 -5.454 22.344 2.756 231 HD12 LEU 29 HD12 LEU 29 -5.158 24.001 3.280 232 HD13 LEU 29 HD13 LEU 29 -6.571 23.129 3.873 233 HD21 LEU 29 HD21 LEU 29 -5.311 20.927 6.063 234 HD22 LEU 29 HD22 LEU 29 -6.651 21.894 5.447 235 HD23 LEU 29 HD23 LEU 29 -5.602 22.542 6.709 236 H ASN 30 H ASN 30 -0.440 22.781 2.425 237 HA ASN 30 HA ASN 30 1.188 20.566 2.960 238 HB2 ASN 30 HB2 ASN 30 1.862 22.300 1.390 239 HB3 ASN 30 HB3 ASN 30 1.936 23.486 2.690 240 HD21 ASN 30 HD21 ASN 30 4.131 23.579 1.544 241 HD22 ASN 30 HD22 ASN 30 5.381 22.616 2.249 242 H ILE 31 H ILE 31 1.769 19.733 4.844 243 HA ILE 31 HA ILE 31 1.296 20.941 7.331 244 HB ILE 31 HB ILE 31 3.195 18.683 6.682 245 HG12 ILE 31 HG12 ILE 31 1.006 17.565 7.867 246 HG13 ILE 31 HG13 ILE 31 0.266 18.877 6.956 247 HG21 ILE 31 HG21 ILE 31 1.942 19.432 9.320 248 HG22 ILE 31 HG22 ILE 31 3.038 18.084 9.019 249 HG23 ILE 31 HG23 ILE 31 3.618 19.743 8.868 250 HD11 ILE 31 HD11 ILE 31 0.618 16.490 5.913 251 HD12 ILE 31 HD12 ILE 31 0.789 17.954 4.944 252 HD13 ILE 31 HD13 ILE 31 2.222 17.135 5.564 253 H LYS 32 H LYS 32 4.158 20.831 5.292 254 HA LYS 32 HA LYS 32 6.124 21.670 7.023 255 HB2 LYS 32 HB2 LYS 32 6.556 21.061 4.691 256 HB3 LYS 32 HB3 LYS 32 5.727 22.513 4.145 257 HG2 LYS 32 HG2 LYS 32 7.973 22.904 6.022 258 HG3 LYS 32 HG3 LYS 32 8.380 22.344 4.398 259 HD2 LYS 32 HD2 LYS 32 8.074 24.388 3.574 260 HD3 LYS 32 HD3 LYS 32 6.438 24.447 4.236 261 HE2 LYS 32 HE2 LYS 32 7.100 25.550 6.132 262 HE3 LYS 32 HE3 LYS 32 8.730 24.878 6.084 263 HZ1 LYS 32 HZ1 LYS 32 9.391 26.768 5.171 264 HZ2 LYS 32 HZ2 LYS 32 7.806 27.350 5.081 265 HZ3 LYS 32 HZ3 LYS 32 8.444 26.434 3.809 266 H ASP 33 H ASP 33 3.981 23.760 5.088 267 HA ASP 33 HA ASP 33 4.869 26.104 6.549 268 HB2 ASP 33 HB2 ASP 33 4.301 25.989 4.029 269 HB3 ASP 33 HB3 ASP 33 2.620 26.056 4.552 270 H ASP 34 H ASP 34 1.719 24.556 5.906 271 HA ASP 34 HA ASP 34 0.101 26.008 7.550 272 HB2 ASP 34 HB2 ASP 34 -0.467 23.987 6.056 273 HB3 ASP 34 HB3 ASP 34 -0.111 23.006 7.475 274 H LEU 35 H LEU 35 1.846 23.060 8.549 275 HA LEU 35 HA LEU 35 1.277 23.585 11.332 276 HB2 LEU 35 HB2 LEU 35 2.160 21.356 9.745 277 HB3 LEU 35 HB3 LEU 35 3.222 21.574 11.134 278 HG LEU 35 HG LEU 35 1.410 19.958 11.551 279 HD11 LEU 35 HD11 LEU 35 2.322 21.024 13.461 280 HD12 LEU 35 HD12 LEU 35 0.570 21.040 13.659 281 HD13 LEU 35 HD13 LEU 35 1.413 22.504 13.154 282 HD21 LEU 35 HD21 LEU 35 -0.276 21.055 10.103 283 HD22 LEU 35 HD22 LEU 35 -0.434 22.332 11.310 284 HD23 LEU 35 HD23 LEU 35 -0.881 20.674 11.715 285 H ASN 36 H ASN 36 3.709 24.407 9.097 286 HA ASN 36 HA ASN 36 5.635 25.604 9.289 287 HB2 ASN 36 HB2 ASN 36 4.106 26.741 11.114 288 HB3 ASN 36 HB3 ASN 36 5.234 25.979 12.230 289 HD21 ASN 36 HD21 ASN 36 6.274 27.741 12.965 290 HD22 ASN 36 HD22 ASN 36 7.211 28.804 11.977 291 H ALA 37 H ALA 37 5.450 22.694 9.903 292 HA ALA 37 HA ALA 37 7.054 21.814 11.944 293 HB1 ALA 37 HB1 ALA 37 7.132 20.692 9.149 294 HB2 ALA 37 HB2 ALA 37 7.469 19.843 10.658 295 HB3 ALA 37 HB3 ALA 37 5.831 20.389 10.301 296 H ASP 38 H ASP 38 9.247 21.470 12.253 297 HA ASP 38 HA ASP 38 10.995 23.426 11.217 298 HB2 ASP 38 HB2 ASP 38 11.855 20.854 12.542 299 HB3 ASP 38 HB3 ASP 38 12.694 22.403 12.537 300 H SER 39 H SER 39 13.166 22.823 10.228 301 HA SER 39 HA SER 39 12.648 21.460 7.749 302 HB2 SER 39 HB2 SER 39 14.959 23.008 8.876 303 HB3 SER 39 HB3 SER 39 15.181 22.029 7.426 304 HG SER 39 HG SER 39 13.523 23.222 6.439 305 H ILE 40 H ILE 40 14.898 20.981 10.463 306 HA ILE 40 HA ILE 40 16.210 18.721 9.597 307 HB ILE 40 HB ILE 40 15.339 19.323 12.426 308 HG12 ILE 40 HG12 ILE 40 16.651 21.135 11.412 309 HG13 ILE 40 HG13 ILE 40 17.572 20.314 12.667 310 HG21 ILE 40 HG21 ILE 40 16.006 16.994 12.149 311 HG22 ILE 40 HG22 ILE 40 17.519 17.508 11.405 312 HG23 ILE 40 HG23 ILE 40 17.198 17.883 13.098 313 HD11 ILE 40 HD11 ILE 40 19.209 19.974 11.229 314 HD12 ILE 40 HD12 ILE 40 18.124 19.031 10.206 315 HD13 ILE 40 HD13 ILE 40 18.273 20.771 9.965 316 H SER 41 H SER 41 13.093 18.928 11.273 317 HA SER 41 HA SER 41 12.586 16.260 11.728 318 HB2 SER 41 HB2 SER 41 10.379 18.018 10.712 319 HB3 SER 41 HB3 SER 41 10.354 16.846 12.030 320 HG SER 41 HG SER 41 10.691 18.496 13.273 321 H VAL 42 H VAL 42 12.308 18.070 8.729 322 HA VAL 42 HA VAL 42 10.863 16.293 7.172 323 HB VAL 42 HB VAL 42 13.194 17.996 6.280 324 HG11 VAL 42 HG11 VAL 42 11.475 17.884 4.181 325 HG12 VAL 42 HG12 VAL 42 12.894 16.851 4.369 326 HG13 VAL 42 HG13 VAL 42 11.303 16.263 4.854 327 HG21 VAL 42 HG21 VAL 42 11.194 19.473 5.528 328 HG22 VAL 42 HG22 VAL 42 10.298 18.578 6.755 329 HG23 VAL 42 HG23 VAL 42 11.718 19.518 7.212 330 H MET 43 H MET 43 14.286 16.257 8.016 331 HA MET 43 HA MET 43 15.107 14.234 6.251 332 HB2 MET 43 HB2 MET 43 16.398 15.839 7.986 333 HB3 MET 43 HB3 MET 43 16.394 14.348 8.918 334 HG2 MET 43 HG2 MET 43 18.366 14.146 7.790 335 HG3 MET 43 HG3 MET 43 17.273 13.300 6.697 336 HE1 MET 43 HE1 MET 43 20.345 15.462 6.126 337 HE2 MET 43 HE2 MET 43 19.794 13.831 5.742 338 HE3 MET 43 HE3 MET 43 19.935 15.039 4.464 339 H GLU 44 H GLU 44 13.373 14.123 9.252 340 HA GLU 44 HA GLU 44 13.812 11.282 9.627 341 HB2 GLU 44 HB2 GLU 44 11.847 13.025 11.109 342 HB3 GLU 44 HB3 GLU 44 12.543 11.497 11.633 343 HG2 GLU 44 HG2 GLU 44 14.753 12.577 11.752 344 HG3 GLU 44 HG3 GLU 44 14.001 14.110 11.312 345 H PHE 45 H PHE 45 11.018 13.395 8.979 346 HA PHE 45 HA PHE 45 9.110 11.398 8.634 347 HB2 PHE 45 HB2 PHE 45 9.260 14.083 7.246 348 HB3 PHE 45 HB3 PHE 45 7.822 13.075 7.375 349 HD1 PHE 45 HD1 PHE 45 7.593 12.250 10.040 350 HD2 PHE 45 HD2 PHE 45 9.126 15.940 8.571 351 HE1 PHE 45 HE1 PHE 45 7.024 13.333 12.175 352 HE2 PHE 45 HE2 PHE 45 8.560 17.028 10.704 353 HZ PHE 45 HZ PHE 45 7.509 15.724 12.510 354 H VAL 46 H VAL 46 11.433 12.747 6.360 355 HA VAL 46 HA VAL 46 10.389 11.452 4.053 356 HB VAL 46 HB VAL 46 11.889 13.451 3.992 357 HG11 VAL 46 HG11 VAL 46 14.148 11.514 4.424 358 HG12 VAL 46 HG12 VAL 46 14.215 13.275 4.338 359 HG13 VAL 46 HG13 VAL 46 13.468 12.487 5.728 360 HG21 VAL 46 HG21 VAL 46 12.716 12.928 1.911 361 HG22 VAL 46 HG22 VAL 46 13.210 11.305 2.395 362 HG23 VAL 46 HG23 VAL 46 11.506 11.661 2.116 363 H LEU 47 H LEU 47 12.373 10.423 6.667 364 HA LEU 47 HA LEU 47 13.564 8.204 5.259 365 HB2 LEU 47 HB2 LEU 47 14.420 9.551 7.347 366 HB3 LEU 47 HB3 LEU 47 13.460 8.368 8.233 367 HG LEU 47 HG LEU 47 14.974 6.804 6.542 368 HD11 LEU 47 HD11 LEU 47 17.307 7.813 7.343 369 HD12 LEU 47 HD12 LEU 47 16.408 9.318 7.157 370 HD13 LEU 47 HD13 LEU 47 16.576 8.218 5.790 371 HD21 LEU 47 HD21 LEU 47 14.451 6.378 8.896 372 HD22 LEU 47 HD22 LEU 47 15.591 7.635 9.377 373 HD23 LEU 47 HD23 LEU 47 16.173 6.179 8.568 374 H GLU 48 H GLU 48 11.116 8.585 7.816 375 HA GLU 48 HA GLU 48 10.459 5.894 8.115 376 HB2 GLU 48 HB2 GLU 48 8.210 6.800 8.894 377 HB3 GLU 48 HB3 GLU 48 9.633 7.388 9.743 378 HG2 GLU 48 HG2 GLU 48 9.563 9.463 8.547 379 HG3 GLU 48 HG3 GLU 48 8.259 8.874 7.518 380 H LEU 49 H LEU 49 9.175 8.320 5.882 381 HA LEU 49 HA LEU 49 7.162 6.680 4.761 382 HB2 LEU 49 HB2 LEU 49 8.604 9.022 3.526 383 HB3 LEU 49 HB3 LEU 49 7.085 8.328 2.964 384 HG LEU 49 HG LEU 49 7.290 9.435 5.737 385 HD11 LEU 49 HD11 LEU 49 8.033 11.000 3.667 386 HD12 LEU 49 HD12 LEU 49 7.214 11.594 5.111 387 HD13 LEU 49 HD13 LEU 49 6.287 11.250 3.651 388 HD21 LEU 49 HD21 LEU 49 4.945 9.720 5.519 389 HD22 LEU 49 HD22 LEU 49 5.319 8.105 4.918 390 HD23 LEU 49 HD23 LEU 49 5.001 9.417 3.782 391 H GLU 50 H GLU 50 10.331 7.652 3.434 392 HA GLU 50 HA GLU 50 10.266 5.961 1.207 393 HB2 GLU 50 HB2 GLU 50 12.457 6.590 0.827 394 HB3 GLU 50 HB3 GLU 50 11.888 7.910 1.839 395 HG2 GLU 50 HG2 GLU 50 13.771 7.506 2.981 396 HG3 GLU 50 HG3 GLU 50 12.811 6.230 3.728 397 H ASP 51 H ASP 51 10.807 5.275 4.522 398 HA ASP 51 HA ASP 51 12.204 2.785 4.047 399 HB2 ASP 51 HB2 ASP 51 12.747 4.065 6.047 400 HB3 ASP 51 HB3 ASP 51 11.070 3.985 6.582 401 H GLU 52 H GLU 52 9.151 3.575 5.722 402 HA GLU 52 HA GLU 52 8.116 1.020 5.843 403 HB2 GLU 52 HB2 GLU 52 7.124 3.703 6.190 404 HB3 GLU 52 HB3 GLU 52 5.915 2.714 5.384 405 HG2 GLU 52 HG2 GLU 52 5.395 2.395 7.595 406 HG3 GLU 52 HG3 GLU 52 6.426 1.005 7.263 407 H PHE 53 H PHE 53 7.426 3.469 3.345 408 HA PHE 53 HA PHE 53 5.916 1.740 1.703 409 HB2 PHE 53 HB2 PHE 53 7.452 4.183 0.805 410 HB3 PHE 53 HB3 PHE 53 6.039 3.469 0.034 411 HD1 PHE 53 HD1 PHE 53 4.419 2.974 2.534 412 HD2 PHE 53 HD2 PHE 53 6.645 6.352 1.209 413 HE1 PHE 53 HE1 PHE 53 2.955 4.451 3.850 414 HE2 PHE 53 HE2 PHE 53 5.185 7.834 2.524 415 HZ PHE 53 HZ PHE 53 3.338 6.883 3.847 416 H GLY 54 H GLY 54 9.328 2.292 2.044 417 HA2 GLY 54 HA2 GLY 54 11.104 1.079 1.212 418 HA3 GLY 54 HA3 GLY 54 9.946 -0.011 0.466 419 H THR 55 H THR 55 10.828 3.423 0.069 420 HA THR 55 HA THR 55 11.415 2.884 -2.752 421 HB THR 55 HB THR 55 9.078 3.691 -2.649 422 HG1 THR 55 HG1 THR 55 10.565 5.821 -3.731 423 HG21 THR 55 HG21 THR 55 10.003 6.408 -1.865 424 HG22 THR 55 HG22 THR 55 9.761 5.216 -0.588 425 HG23 THR 55 HG23 THR 55 8.426 5.647 -1.657 426 H GLU 56 H GLU 56 12.478 4.805 -3.805 427 HA GLU 56 HA GLU 56 14.385 5.971 -1.908 428 HB2 GLU 56 HB2 GLU 56 15.124 4.610 -3.946 429 HB3 GLU 56 HB3 GLU 56 14.623 5.992 -4.910 430 HG2 GLU 56 HG2 GLU 56 16.238 7.399 -3.870 431 HG3 GLU 56 HG3 GLU 56 16.630 6.161 -2.678 432 H ILE 57 H ILE 57 14.190 8.026 -1.341 433 HA ILE 57 HA ILE 57 12.577 9.810 -3.031 434 HB ILE 57 HB ILE 57 13.289 10.044 -0.106 435 HG12 ILE 57 HG12 ILE 57 10.665 9.473 -1.502 436 HG13 ILE 57 HG13 ILE 57 11.611 8.322 -0.565 437 HG21 ILE 57 HG21 ILE 57 11.602 11.844 -1.840 438 HG22 ILE 57 HG22 ILE 57 11.774 11.977 -0.090 439 HG23 ILE 57 HG23 ILE 57 13.170 12.239 -1.136 440 HD11 ILE 57 HD11 ILE 57 10.185 10.764 0.454 441 HD12 ILE 57 HD12 ILE 57 9.790 9.074 0.772 442 HD13 ILE 57 HD13 ILE 57 11.272 9.771 1.425 443 H SER 58 H SER 58 13.689 11.153 -4.273 444 HA SER 58 HA SER 58 16.425 11.601 -4.171 445 HB2 SER 58 HB2 SER 58 14.418 13.582 -5.259 446 HB3 SER 58 HB3 SER 58 16.082 13.335 -5.787 447 HG SER 58 HG SER 58 15.248 11.998 -7.167 448 H ASP 59 H ASP 59 17.554 13.672 -3.770 449 HA ASP 59 HA ASP 59 16.882 14.651 -1.139 450 HB2 ASP 59 HB2 ASP 59 19.245 14.497 -2.780 451 HB3 ASP 59 HB3 ASP 59 19.040 16.138 -2.176 452 H GLU 60 H GLU 60 16.378 15.638 -4.377 453 HA GLU 60 HA GLU 60 16.052 18.446 -3.736 454 HB2 GLU 60 HB2 GLU 60 15.278 17.078 -6.309 455 HB3 GLU 60 HB3 GLU 60 15.638 18.780 -6.056 456 HG2 GLU 60 HG2 GLU 60 17.627 16.535 -5.814 457 HG3 GLU 60 HG3 GLU 60 17.440 17.585 -7.217 458 H ASP 61 H ASP 61 13.908 15.977 -5.168 459 HA ASP 61 HA ASP 61 11.530 17.398 -4.842 460 HB2 ASP 61 HB2 ASP 61 12.145 14.467 -5.106 461 HB3 ASP 61 HB3 ASP 61 10.491 15.024 -4.869 462 H ALA 62 H ALA 62 13.437 15.672 -2.549 463 HA ALA 62 HA ALA 62 11.617 14.912 -0.623 464 HB1 ALA 62 HB1 ALA 62 13.713 15.860 0.878 465 HB2 ALA 62 HB2 ALA 62 13.604 14.254 0.156 466 HB3 ALA 62 HB3 ALA 62 14.460 15.544 -0.689 467 H GLU 63 H GLU 63 12.504 18.094 -1.605 468 HA GLU 63 HA GLU 63 11.476 19.347 0.805 469 HB2 GLU 63 HB2 GLU 63 13.334 20.097 -1.121 470 HB3 GLU 63 HB3 GLU 63 11.947 21.126 -1.450 471 HG2 GLU 63 HG2 GLU 63 11.959 21.903 0.855 472 HG3 GLU 63 HG3 GLU 63 13.327 20.851 1.211 473 H LYS 64 H LYS 64 10.472 18.671 -2.469 474 HA LYS 64 HA LYS 64 7.989 20.181 -2.061 475 HB2 LYS 64 HB2 LYS 64 7.663 20.079 -4.430 476 HB3 LYS 64 HB3 LYS 64 9.331 20.559 -4.145 477 HG2 LYS 64 HG2 LYS 64 9.677 17.916 -4.330 478 HG3 LYS 64 HG3 LYS 64 8.243 18.091 -5.345 479 HD2 LYS 64 HD2 LYS 64 9.678 20.107 -6.330 480 HD3 LYS 64 HD3 LYS 64 11.006 19.094 -5.759 481 HE2 LYS 64 HE2 LYS 64 10.813 17.963 -7.668 482 HE3 LYS 64 HE3 LYS 64 9.298 17.322 -7.035 483 HZ1 LYS 64 HZ1 LYS 64 9.446 19.877 -8.524 484 HZ2 LYS 64 HZ2 LYS 64 8.071 18.962 -8.161 485 HZ3 LYS 64 HZ3 LYS 64 9.192 18.392 -9.292 486 H ILE 65 H ILE 65 8.446 17.713 -0.670 487 HA ILE 65 HA ILE 65 6.100 16.263 -1.606 488 HB ILE 65 HB ILE 65 7.179 14.075 -1.421 489 HG12 ILE 65 HG12 ILE 65 9.922 14.768 -1.644 490 HG13 ILE 65 HG13 ILE 65 9.283 15.626 -0.246 491 HG21 ILE 65 HG21 ILE 65 8.462 15.992 -3.358 492 HG22 ILE 65 HG22 ILE 65 8.612 14.239 -3.462 493 HG23 ILE 65 HG23 ILE 65 7.028 14.999 -3.618 494 HD11 ILE 65 HD11 ILE 65 9.418 13.775 0.947 495 HD12 ILE 65 HD12 ILE 65 8.316 12.962 -0.165 496 HD13 ILE 65 HD13 ILE 65 10.055 12.917 -0.455 497 H GLU 66 H GLU 66 6.546 17.973 0.635 498 HA GLU 66 HA GLU 66 6.542 16.092 2.892 499 HB2 GLU 66 HB2 GLU 66 6.702 19.104 3.015 500 HB3 GLU 66 HB3 GLU 66 7.001 17.967 4.323 501 HG2 GLU 66 HG2 GLU 66 8.988 17.159 3.225 502 HG3 GLU 66 HG3 GLU 66 8.665 18.181 1.825 503 H THR 67 H THR 67 4.439 17.632 0.865 504 HA THR 67 HA THR 67 2.398 18.165 2.881 505 HB THR 67 HB THR 67 1.297 19.441 1.345 506 HG1 THR 67 HG1 THR 67 0.800 18.674 -0.573 507 HG21 THR 67 HG21 THR 67 2.808 20.824 0.297 508 HG22 THR 67 HG22 THR 67 3.803 19.484 -0.273 509 HG23 THR 67 HG23 THR 67 3.872 19.976 1.419 510 H VAL 68 H VAL 68 0.204 17.311 2.565 511 HA VAL 68 HA VAL 68 0.072 14.565 2.571 512 HB VAL 68 HB VAL 68 -2.179 16.369 1.679 513 HG11 VAL 68 HG11 VAL 68 -2.099 13.616 2.894 514 HG12 VAL 68 HG12 VAL 68 -3.562 14.598 2.804 515 HG13 VAL 68 HG13 VAL 68 -2.748 14.088 1.324 516 HG21 VAL 68 HG21 VAL 68 -2.764 16.213 4.182 517 HG22 VAL 68 HG22 VAL 68 -1.069 15.778 4.401 518 HG23 VAL 68 HG23 VAL 68 -1.495 17.334 3.688 519 H GLY 69 H GLY 69 -0.608 16.746 -0.158 520 HA2 GLY 69 HA2 GLY 69 -1.053 14.534 -1.963 521 HA3 GLY 69 HA3 GLY 69 -1.041 16.240 -2.383 522 H ALA 70 H ALA 70 1.461 17.014 -1.556 523 HA ALA 70 HA ALA 70 3.074 16.252 -3.707 524 HB1 ALA 70 HB1 ALA 70 4.388 17.254 -1.243 525 HB2 ALA 70 HB2 ALA 70 4.590 17.758 -2.921 526 HB3 ALA 70 HB3 ALA 70 3.177 18.284 -2.006 527 H ALA 71 H ALA 71 2.468 14.668 -0.747 528 HA ALA 71 HA ALA 71 4.950 13.164 -0.746 529 HB1 ALA 71 HB1 ALA 71 4.081 12.088 1.248 530 HB2 ALA 71 HB2 ALA 71 3.916 13.840 1.376 531 HB3 ALA 71 HB3 ALA 71 2.509 12.847 0.996 532 H VAL 72 H VAL 72 1.526 12.158 -0.687 533 HA VAL 72 HA VAL 72 1.937 9.546 -1.538 534 HB VAL 72 HB VAL 72 -0.186 10.243 -0.598 535 HG11 VAL 72 HG11 VAL 72 -0.087 12.503 -1.825 536 HG12 VAL 72 HG12 VAL 72 -0.879 11.651 -3.152 537 HG13 VAL 72 HG13 VAL 72 -1.664 11.754 -1.576 538 HG21 VAL 72 HG21 VAL 72 -0.974 9.477 -3.360 539 HG22 VAL 72 HG22 VAL 72 0.094 8.394 -2.467 540 HG23 VAL 72 HG23 VAL 72 -1.489 8.810 -1.811 541 H ASP 73 H ASP 73 1.429 12.484 -3.425 542 HA ASP 73 HA ASP 73 1.153 11.259 -5.946 543 HB2 ASP 73 HB2 ASP 73 0.531 13.599 -5.527 544 HB3 ASP 73 HB3 ASP 73 2.225 14.007 -5.271 545 H TYR 74 H TYR 74 3.910 11.902 -3.963 546 HA TYR 74 HA TYR 74 5.792 11.527 -6.147 547 HB2 TYR 74 HB2 TYR 74 6.253 13.188 -4.366 548 HB3 TYR 74 HB3 TYR 74 6.314 11.882 -3.188 549 HD1 TYR 74 HD2 TYR 74 7.906 12.969 -6.385 550 HD2 TYR 74 HD1 TYR 74 8.358 10.907 -2.690 551 HE1 TYR 74 HE2 TYR 74 10.301 12.668 -6.853 552 HE2 TYR 74 HE1 TYR 74 10.755 10.601 -3.148 553 HH TYR 74 HH TYR 74 12.183 10.530 -5.514 554 H ILE 75 H ILE 75 5.043 9.936 -3.049 555 HA ILE 75 HA ILE 75 6.732 7.738 -3.350 556 HB ILE 75 HB ILE 75 4.063 7.770 -1.936 557 HG12 ILE 75 HG12 ILE 75 5.489 9.597 -1.158 558 HG13 ILE 75 HG13 ILE 75 5.370 8.348 0.076 559 HG21 ILE 75 HG21 ILE 75 6.161 6.154 -0.771 560 HG22 ILE 75 HG22 ILE 75 4.510 5.716 -1.207 561 HG23 ILE 75 HG23 ILE 75 5.788 5.654 -2.420 562 HD11 ILE 75 HD11 ILE 75 7.575 8.318 0.174 563 HD12 ILE 75 HD12 ILE 75 7.609 7.697 -1.477 564 HD13 ILE 75 HD13 ILE 75 7.690 9.435 -1.186 565 H VAL 76 H VAL 76 3.378 8.199 -4.384 566 HA VAL 76 HA VAL 76 3.037 5.552 -5.374 567 HB VAL 76 HB VAL 76 1.518 8.086 -6.002 568 HG11 VAL 76 HG11 VAL 76 1.126 5.251 -6.868 569 HG12 VAL 76 HG12 VAL 76 -0.266 6.315 -6.654 570 HG13 VAL 76 HG13 VAL 76 0.999 6.737 -7.809 571 HG21 VAL 76 HG21 VAL 76 0.749 5.782 -4.218 572 HG22 VAL 76 HG22 VAL 76 1.476 7.280 -3.636 573 HG23 VAL 76 HG23 VAL 76 -0.103 7.313 -4.420 574 H SER 77 H SER 77 3.316 8.650 -7.127 575 HA SER 77 HA SER 77 3.557 7.649 -9.682 576 HB2 SER 77 HB2 SER 77 3.349 10.070 -9.049 577 HB3 SER 77 HB3 SER 77 5.063 10.056 -8.634 578 HG SER 77 HG SER 77 4.901 10.762 -10.728 579 H ASN 78 H ASN 78 5.948 7.777 -7.145 580 HA ASN 78 HA ASN 78 8.134 7.074 -8.905 581 HB2 ASN 78 HB2 ASN 78 8.422 8.524 -6.875 582 HB3 ASN 78 HB3 ASN 78 8.096 7.107 -5.881 583 HD21 ASN 78 HD21 ASN 78 9.529 5.237 -6.223 584 HD22 ASN 78 HD22 ASN 78 11.194 5.541 -6.570 585 H SER 79 H SER 79 5.989 5.488 -6.627 586 HA SER 79 HA SER 79 5.624 3.300 -6.117 587 HB2 SER 79 HB2 SER 79 6.998 2.542 -8.684 588 HB3 SER 79 HB3 SER 79 5.623 1.768 -7.898 589 HG SER 79 HG SER 79 4.423 3.699 -8.394 Start of MODEL 3 1 H1 MET 1 H MET 1 2.708 0.673 1.080 2 HA MET 1 HA MET 1 3.870 0.897 -0.888 3 HB2 MET 1 HB2 MET 1 3.505 -1.009 -2.419 4 HB3 MET 1 HB3 MET 1 3.605 -1.508 -0.736 5 HG2 MET 1 HG2 MET 1 1.008 -1.326 -0.822 6 HG3 MET 1 HG3 MET 1 1.252 -1.461 -2.561 7 HE1 MET 1 HE1 MET 1 1.609 -3.387 -3.799 8 HE2 MET 1 HE2 MET 1 1.489 -5.040 -3.195 9 HE3 MET 1 HE3 MET 1 0.120 -3.939 -3.031 10 H THR 2 H THR 2 0.383 0.705 -1.369 11 HA THR 2 HA THR 2 0.565 2.020 -3.955 12 HB THR 2 HB THR 2 -1.098 0.212 -3.581 13 HG1 THR 2 HG1 THR 2 -2.042 1.279 -5.138 14 HG21 THR 2 HG21 THR 2 -2.955 1.987 -2.152 15 HG22 THR 2 HG22 THR 2 -1.590 1.417 -1.191 16 HG23 THR 2 HG23 THR 2 -2.669 0.257 -1.965 17 H ARG 3 H ARG 3 -1.126 3.834 -4.306 18 HA ARG 3 HA ARG 3 -0.330 6.076 -2.844 19 HB2 ARG 3 HB2 ARG 3 -2.153 7.259 -3.995 20 HB3 ARG 3 HB3 ARG 3 -1.236 6.244 -5.101 21 HG2 ARG 3 HG2 ARG 3 -3.022 4.505 -4.834 22 HG3 ARG 3 HG3 ARG 3 -3.962 5.711 -3.953 23 HD2 ARG 3 HD2 ARG 3 -4.559 6.766 -5.831 24 HD3 ARG 3 HD3 ARG 3 -2.919 6.713 -6.478 25 HE ARG 3 HE ARG 3 -3.502 4.867 -7.697 26 HH11 ARG 3 HH11 ARG 3 -5.877 5.378 -5.203 27 HH12 ARG 3 HH12 ARG 3 -6.954 4.159 -5.798 28 HH21 ARG 3 HH21 ARG 3 -4.912 3.259 -8.489 29 HH22 ARG 3 HH22 ARG 3 -6.404 2.953 -7.667 30 H GLU 4 H GLU 4 -3.063 3.909 -2.434 31 HA GLU 4 HA GLU 4 -4.516 5.475 -0.592 32 HB2 GLU 4 HB2 GLU 4 -4.737 2.895 -1.769 33 HB3 GLU 4 HB3 GLU 4 -4.884 2.700 -0.028 34 HG2 GLU 4 HG2 GLU 4 -6.702 4.272 0.046 35 HG3 GLU 4 HG3 GLU 4 -6.506 4.631 -1.669 36 H GLU 5 H GLU 5 -2.535 2.576 0.060 37 HA GLU 5 HA GLU 5 -2.499 2.730 2.810 38 HB2 GLU 5 HB2 GLU 5 -0.707 1.549 0.763 39 HB3 GLU 5 HB3 GLU 5 -0.037 1.734 2.378 40 HG2 GLU 5 HG2 GLU 5 -2.716 0.556 2.303 41 HG3 GLU 5 HG3 GLU 5 -1.464 -0.405 1.519 42 H VAL 6 H VAL 6 -0.284 4.278 0.513 43 HA VAL 6 HA VAL 6 1.436 5.442 2.404 44 HB VAL 6 HB VAL 6 0.737 6.408 -0.372 45 HG11 VAL 6 HG11 VAL 6 1.990 8.193 0.033 46 HG12 VAL 6 HG12 VAL 6 2.286 7.639 1.682 47 HG13 VAL 6 HG13 VAL 6 3.361 7.138 0.375 48 HG21 VAL 6 HG21 VAL 6 3.312 5.086 0.219 49 HG22 VAL 6 HG22 VAL 6 1.880 4.057 0.233 50 HG23 VAL 6 HG23 VAL 6 2.285 4.984 -1.211 51 H LEU 7 H LEU 7 -1.327 6.867 0.659 52 HA LEU 7 HA LEU 7 -1.290 9.383 1.808 53 HB2 LEU 7 HB2 LEU 7 -2.733 9.053 -0.006 54 HB3 LEU 7 HB3 LEU 7 -3.519 7.674 0.760 55 HG LEU 7 HG LEU 7 -3.846 10.218 2.190 56 HD11 LEU 7 HD11 LEU 7 -5.595 11.002 0.607 57 HD12 LEU 7 HD12 LEU 7 -5.000 9.825 -0.564 58 HD13 LEU 7 HD13 LEU 7 -3.951 11.134 -0.019 59 HD21 LEU 7 HD21 LEU 7 -5.025 7.738 2.176 60 HD22 LEU 7 HD22 LEU 7 -6.193 8.733 1.306 61 HD23 LEU 7 HD23 LEU 7 -5.684 9.189 2.932 62 H GLN 8 H GLN 8 -2.944 6.457 2.954 63 HA GLN 8 HA GLN 8 -4.195 7.596 5.184 64 HB2 GLN 8 HB2 GLN 8 -3.389 4.823 4.419 65 HB3 GLN 8 HB3 GLN 8 -3.924 5.124 6.067 66 HG2 GLN 8 HG2 GLN 8 -6.030 6.035 5.207 67 HG3 GLN 8 HG3 GLN 8 -5.493 5.695 3.563 68 HE21 GLN 8 HE21 GLN 8 -7.247 4.557 6.127 69 HE22 GLN 8 HE22 GLN 8 -7.330 2.888 5.689 70 H LYS 9 H LYS 9 -1.227 5.613 5.145 71 HA LYS 9 HA LYS 9 -0.451 5.902 7.753 72 HB2 LYS 9 HB2 LYS 9 0.856 5.246 5.243 73 HB3 LYS 9 HB3 LYS 9 1.946 6.083 6.341 74 HG2 LYS 9 HG2 LYS 9 2.090 3.659 6.584 75 HG3 LYS 9 HG3 LYS 9 1.520 4.432 8.065 76 HD2 LYS 9 HD2 LYS 9 -0.701 3.753 6.364 77 HD3 LYS 9 HD3 LYS 9 0.307 2.334 6.657 78 HE2 LYS 9 HE2 LYS 9 -0.170 2.287 8.876 79 HE3 LYS 9 HE3 LYS 9 -0.299 4.041 8.996 80 HZ1 LYS 9 HZ1 LYS 9 -2.475 4.009 8.219 81 HZ2 LYS 9 HZ2 LYS 9 -2.415 2.672 9.252 82 HZ3 LYS 9 HZ3 LYS 9 -2.343 2.449 7.577 83 H VAL 10 H VAL 10 0.715 7.975 5.089 84 HA VAL 10 HA VAL 10 2.111 9.829 6.559 85 HB VAL 10 HB VAL 10 0.452 10.309 4.081 86 HG11 VAL 10 HG11 VAL 10 0.854 12.423 5.166 87 HG12 VAL 10 HG12 VAL 10 2.564 12.036 5.366 88 HG13 VAL 10 HG13 VAL 10 1.899 12.291 3.752 89 HG21 VAL 10 HG21 VAL 10 3.027 9.064 4.590 90 HG22 VAL 10 HG22 VAL 10 2.028 9.039 3.137 91 HG23 VAL 10 HG23 VAL 10 3.133 10.382 3.424 92 H ALA 11 H ALA 11 -1.354 9.863 5.783 93 HA ALA 11 HA ALA 11 -1.949 12.315 7.032 94 HB1 ALA 11 HB1 ALA 11 -4.283 10.933 7.231 95 HB2 ALA 11 HB2 ALA 11 -3.740 11.790 5.787 96 HB3 ALA 11 HB3 ALA 11 -3.463 10.055 5.940 97 H LYS 12 H LYS 12 -1.783 9.018 8.249 98 HA LYS 12 HA LYS 12 -2.916 9.614 10.802 99 HB2 LYS 12 HB2 LYS 12 -2.263 7.303 9.407 100 HB3 LYS 12 HB3 LYS 12 -1.130 7.313 10.752 101 HG2 LYS 12 HG2 LYS 12 -3.295 7.833 12.147 102 HG3 LYS 12 HG3 LYS 12 -4.093 7.077 10.766 103 HD2 LYS 12 HD2 LYS 12 -3.688 5.341 12.322 104 HD3 LYS 12 HD3 LYS 12 -2.475 5.152 11.053 105 HE2 LYS 12 HE2 LYS 12 -1.096 4.978 12.844 106 HE3 LYS 12 HE3 LYS 12 -1.105 6.736 12.708 107 HZ1 LYS 12 HZ1 LYS 12 -1.826 6.772 14.789 108 HZ2 LYS 12 HZ2 LYS 12 -2.057 5.097 14.824 109 HZ3 LYS 12 HZ3 LYS 12 -3.289 6.109 14.257 110 H ILE 13 H ILE 13 0.415 8.712 9.885 111 HA ILE 13 HA ILE 13 1.656 9.259 12.283 112 HB ILE 13 HB ILE 13 2.823 9.736 9.538 113 HG12 ILE 13 HG12 ILE 13 3.591 7.284 10.900 114 HG13 ILE 13 HG13 ILE 13 1.853 7.361 10.632 115 HG21 ILE 13 HG21 ILE 13 4.289 10.731 11.068 116 HG22 ILE 13 HG22 ILE 13 4.045 9.459 12.264 117 HG23 ILE 13 HG23 ILE 13 4.963 9.124 10.797 118 HD11 ILE 13 HD11 ILE 13 2.538 6.355 8.706 119 HD12 ILE 13 HD12 ILE 13 2.585 8.046 8.209 120 HD13 ILE 13 HD13 ILE 13 4.074 7.220 8.667 121 H ILE 14 H ILE 14 0.830 11.489 9.677 122 HA ILE 14 HA ILE 14 2.161 13.738 10.821 123 HB ILE 14 HB ILE 14 0.066 13.484 8.675 124 HG12 ILE 14 HG12 ILE 14 2.970 14.333 8.621 125 HG13 ILE 14 HG13 ILE 14 2.355 12.759 8.128 126 HG21 ILE 14 HG21 ILE 14 1.323 15.992 9.771 127 HG22 ILE 14 HG22 ILE 14 0.473 15.905 8.230 128 HG23 ILE 14 HG23 ILE 14 -0.391 15.580 9.732 129 HD11 ILE 14 HD11 ILE 14 0.923 14.089 6.457 130 HD12 ILE 14 HD12 ILE 14 2.049 15.407 6.782 131 HD13 ILE 14 HD13 ILE 14 2.642 13.881 6.128 132 H SER 15 H SER 15 -1.226 12.670 10.732 133 HA SER 15 HA SER 15 -2.245 14.857 12.214 134 HB2 SER 15 HB2 SER 15 -3.636 13.374 10.776 135 HB3 SER 15 HB3 SER 15 -3.417 12.077 11.951 136 HG SER 15 HG SER 15 -4.667 14.585 12.406 137 H ASN 16 H ASN 16 -0.451 12.114 13.122 138 HA ASN 16 HA ASN 16 -1.379 12.195 15.892 139 HB2 ASN 16 HB2 ASN 16 0.516 10.337 14.443 140 HB3 ASN 16 HB3 ASN 16 0.184 10.238 16.169 141 HD21 ASN 16 HD21 ASN 16 -2.457 10.619 16.356 142 HD22 ASN 16 HD22 ASN 16 -3.320 9.385 15.509 143 H HIS 17 H HIS 17 1.584 12.635 13.996 144 HA HIS 17 HA HIS 17 3.235 13.301 16.203 145 HB2 HIS 17 HB2 HIS 17 4.073 12.529 13.980 146 HB3 HIS 17 HB3 HIS 17 3.611 14.089 13.307 147 HD1 HIS 17 HD1 HIS 17 6.472 12.413 14.507 148 HD2 HIS 17 HD2 HIS 17 4.988 16.267 14.961 149 HE1 HIS 17 HE1 HIS 17 8.441 13.814 15.204 150 H PHE 18 H PHE 18 1.521 15.280 13.801 151 HA PHE 18 HA PHE 18 2.172 17.688 15.328 152 HB2 PHE 18 HB2 PHE 18 0.807 17.396 12.643 153 HB3 PHE 18 HB3 PHE 18 1.278 18.916 13.396 154 HD1 PHE 18 HD1 PHE 18 3.681 19.454 13.683 155 HD2 PHE 18 HD2 PHE 18 2.367 16.068 11.464 156 HE1 PHE 18 HE1 PHE 18 5.894 19.297 12.620 157 HE2 PHE 18 HE2 PHE 18 4.578 15.904 10.398 158 HZ PHE 18 HZ PHE 18 6.345 17.519 10.976 159 H ASP 19 H ASP 19 0.144 19.347 14.986 160 HA ASP 19 HA ASP 19 -2.057 18.039 16.423 161 HB2 ASP 19 HB2 ASP 19 -0.645 20.439 16.878 162 HB3 ASP 19 HB3 ASP 19 -2.266 20.909 16.375 163 H ILE 20 H ILE 20 -1.582 18.165 13.440 164 HA ILE 20 HA ILE 20 -3.722 19.828 12.447 165 HB ILE 20 HB ILE 20 -1.583 19.270 11.179 166 HG12 ILE 20 HG12 ILE 20 -4.165 18.701 9.714 167 HG13 ILE 20 HG13 ILE 20 -3.659 20.312 10.209 168 HG21 ILE 20 HG21 ILE 20 -1.663 16.841 11.632 169 HG22 ILE 20 HG22 ILE 20 -3.078 16.721 10.587 170 HG23 ILE 20 HG23 ILE 20 -1.525 17.216 9.915 171 HD11 ILE 20 HD11 ILE 20 -1.603 18.913 8.717 172 HD12 ILE 20 HD12 ILE 20 -3.105 19.097 7.811 173 HD13 ILE 20 HD13 ILE 20 -2.294 20.517 8.472 174 H GLU 21 H GLU 21 -5.487 18.938 11.131 175 HA GLU 21 HA GLU 21 -6.682 16.653 12.479 176 HB2 GLU 21 HB2 GLU 21 -7.662 18.969 10.956 177 HB3 GLU 21 HB3 GLU 21 -8.536 17.476 10.645 178 HG2 GLU 21 HG2 GLU 21 -8.044 18.057 13.478 179 HG3 GLU 21 HG3 GLU 21 -9.098 19.200 12.648 180 H ALA 22 H ALA 22 -6.735 14.672 11.653 181 HA ALA 22 HA ALA 22 -5.405 13.931 9.319 182 HB1 ALA 22 HB1 ALA 22 -5.675 11.923 10.218 183 HB2 ALA 22 HB2 ALA 22 -6.759 12.621 11.422 184 HB3 ALA 22 HB3 ALA 22 -7.411 11.992 9.909 185 H ASP 23 H ASP 23 -8.550 15.218 9.741 186 HA ASP 23 HA ASP 23 -9.461 14.264 7.131 187 HB2 ASP 23 HB2 ASP 23 -10.858 14.471 9.392 188 HB3 ASP 23 HB3 ASP 23 -11.116 16.105 8.788 189 H GLN 24 H GLN 24 -8.316 17.127 8.742 190 HA GLN 24 HA GLN 24 -9.134 18.928 6.648 191 HB2 GLN 24 HB2 GLN 24 -7.291 19.296 9.014 192 HB3 GLN 24 HB3 GLN 24 -7.745 20.584 7.906 193 HG2 GLN 24 HG2 GLN 24 -9.638 19.009 9.637 194 HG3 GLN 24 HG3 GLN 24 -9.058 20.642 9.959 195 HE21 GLN 24 HE21 GLN 24 -11.760 19.949 9.749 196 HE22 GLN 24 HE22 GLN 24 -12.421 20.742 8.364 197 H VAL 25 H VAL 25 -6.269 17.116 7.501 198 HA VAL 25 HA VAL 25 -4.271 18.355 6.112 199 HB VAL 25 HB VAL 25 -3.440 15.971 5.582 200 HG11 VAL 25 HG11 VAL 25 -3.991 16.937 8.380 201 HG12 VAL 25 HG12 VAL 25 -2.936 15.572 8.010 202 HG13 VAL 25 HG13 VAL 25 -2.535 17.185 7.418 203 HG21 VAL 25 HG21 VAL 25 -5.301 14.948 7.615 204 HG22 VAL 25 HG22 VAL 25 -6.017 15.269 6.036 205 HG23 VAL 25 HG23 VAL 25 -4.649 14.165 6.176 206 H THR 26 H THR 26 -4.507 19.261 4.160 207 HA THR 26 HA THR 26 -5.449 17.541 1.961 208 HB THR 26 HB THR 26 -7.161 19.217 2.414 209 HG1 THR 26 HG1 THR 26 -7.325 19.919 0.317 210 HG21 THR 26 HG21 THR 26 -4.827 21.078 2.304 211 HG22 THR 26 HG22 THR 26 -6.181 21.039 3.433 212 HG23 THR 26 HG23 THR 26 -6.414 21.655 1.797 213 H ASP 27 H ASP 27 -4.642 18.222 -0.187 214 HA ASP 27 HA ASP 27 -1.837 18.479 -0.180 215 HB2 ASP 27 HB2 ASP 27 -2.009 18.582 -2.605 216 HB3 ASP 27 HB3 ASP 27 -3.115 17.361 -1.981 217 H GLN 28 H GLN 28 -4.303 20.810 0.038 218 HA GLN 28 HA GLN 28 -2.569 22.963 -0.927 219 HB2 GLN 28 HB2 GLN 28 -5.267 22.547 -1.224 220 HB3 GLN 28 HB3 GLN 28 -5.213 23.702 0.101 221 HG2 GLN 28 HG2 GLN 28 -3.520 24.920 -1.535 222 HG3 GLN 28 HG3 GLN 28 -4.449 24.030 -2.740 223 HE21 GLN 28 HE21 GLN 28 -5.164 26.069 -3.530 224 HE22 GLN 28 HE22 GLN 28 -6.441 26.919 -2.735 225 H LEU 29 H LEU 29 -2.481 21.373 1.723 226 HA LEU 29 HA LEU 29 -2.122 23.745 3.413 227 HB2 LEU 29 HB2 LEU 29 -3.727 21.300 3.999 228 HB3 LEU 29 HB3 LEU 29 -2.893 22.120 5.317 229 HG LEU 29 HG LEU 29 -4.960 23.370 3.508 230 HD11 LEU 29 HD11 LEU 29 -5.346 21.599 5.606 231 HD12 LEU 29 HD12 LEU 29 -6.541 22.697 4.917 232 HD13 LEU 29 HD13 LEU 29 -5.597 23.191 6.323 233 HD21 LEU 29 HD21 LEU 29 -4.715 24.915 5.762 234 HD22 LEU 29 HD22 LEU 29 -4.004 25.272 4.188 235 HD23 LEU 29 HD23 LEU 29 -3.046 24.454 5.423 236 H ASN 30 H ASN 30 0.112 23.352 2.685 237 HA ASN 30 HA ASN 30 1.580 21.053 3.225 238 HB2 ASN 30 HB2 ASN 30 2.614 22.681 1.865 239 HB3 ASN 30 HB3 ASN 30 2.360 23.957 3.052 240 HD21 ASN 30 HD21 ASN 30 3.634 20.698 3.512 241 HD22 ASN 30 HD22 ASN 30 5.185 21.194 4.087 242 H ILE 31 H ILE 31 2.235 20.106 5.038 243 HA ILE 31 HA ILE 31 1.525 21.121 7.589 244 HB ILE 31 HB ILE 31 3.348 18.832 6.843 245 HG12 ILE 31 HG12 ILE 31 1.099 17.762 7.963 246 HG13 ILE 31 HG13 ILE 31 0.434 19.165 7.133 247 HG21 ILE 31 HG21 ILE 31 2.633 18.163 9.285 248 HG22 ILE 31 HG22 ILE 31 4.021 19.212 8.997 249 HG23 ILE 31 HG23 ILE 31 2.473 19.909 9.475 250 HD11 ILE 31 HD11 ILE 31 2.306 17.499 5.583 251 HD12 ILE 31 HD12 ILE 31 0.745 16.779 5.979 252 HD13 ILE 31 HD13 ILE 31 0.814 18.301 5.090 253 H LYS 32 H LYS 32 4.607 20.856 5.861 254 HA LYS 32 HA LYS 32 6.393 21.604 7.796 255 HB2 LYS 32 HB2 LYS 32 6.973 20.989 5.459 256 HB3 LYS 32 HB3 LYS 32 6.419 22.573 4.932 257 HG2 LYS 32 HG2 LYS 32 8.250 23.062 6.990 258 HG3 LYS 32 HG3 LYS 32 8.966 21.792 5.995 259 HD2 LYS 32 HD2 LYS 32 8.743 23.142 4.017 260 HD3 LYS 32 HD3 LYS 32 7.845 24.373 4.908 261 HE2 LYS 32 HE2 LYS 32 9.720 25.163 5.972 262 HE3 LYS 32 HE3 LYS 32 10.567 23.621 5.854 263 HZ1 LYS 32 HZ1 LYS 32 11.130 25.712 4.326 264 HZ2 LYS 32 HZ2 LYS 32 9.981 24.958 3.340 265 HZ3 LYS 32 HZ3 LYS 32 11.366 24.114 3.821 266 H ASP 33 H ASP 33 4.359 23.735 5.827 267 HA ASP 33 HA ASP 33 5.329 26.087 7.229 268 HB2 ASP 33 HB2 ASP 33 4.723 25.953 4.722 269 HB3 ASP 33 HB3 ASP 33 3.049 26.046 5.265 270 H ASP 34 H ASP 34 2.137 24.598 6.660 271 HA ASP 34 HA ASP 34 0.589 26.111 8.324 272 HB2 ASP 34 HB2 ASP 34 -0.362 24.367 6.930 273 HB3 ASP 34 HB3 ASP 34 0.439 23.122 7.884 274 H LEU 35 H LEU 35 2.227 23.093 9.298 275 HA LEU 35 HA LEU 35 1.722 23.622 12.086 276 HB2 LEU 35 HB2 LEU 35 3.115 21.455 10.561 277 HB3 LEU 35 HB3 LEU 35 3.292 21.573 12.311 278 HG LEU 35 HG LEU 35 1.600 19.937 11.729 279 HD11 LEU 35 HD11 LEU 35 1.385 21.553 13.719 280 HD12 LEU 35 HD12 LEU 35 -0.028 20.611 13.244 281 HD13 LEU 35 HD13 LEU 35 0.098 22.307 12.777 282 HD21 LEU 35 HD21 LEU 35 -0.052 20.241 10.229 283 HD22 LEU 35 HD22 LEU 35 1.014 21.501 9.608 284 HD23 LEU 35 HD23 LEU 35 -0.311 21.923 10.694 285 H ASN 36 H ASN 36 4.165 24.382 9.826 286 HA ASN 36 HA ASN 36 6.110 25.550 10.004 287 HB2 ASN 36 HB2 ASN 36 4.551 26.507 12.077 288 HB3 ASN 36 HB3 ASN 36 6.045 26.045 12.886 289 HD21 ASN 36 HD21 ASN 36 4.628 28.634 11.899 290 HD22 ASN 36 HD22 ASN 36 5.935 29.540 11.224 291 H ALA 37 H ALA 37 5.907 22.656 10.581 292 HA ALA 37 HA ALA 37 7.469 21.726 12.631 293 HB1 ALA 37 HB1 ALA 37 7.815 20.563 9.899 294 HB2 ALA 37 HB2 ALA 37 7.682 19.746 11.457 295 HB3 ALA 37 HB3 ALA 37 6.254 20.466 10.713 296 H ASP 38 H ASP 38 9.660 21.320 12.947 297 HA ASP 38 HA ASP 38 11.443 23.298 12.026 298 HB2 ASP 38 HB2 ASP 38 11.951 20.665 13.422 299 HB3 ASP 38 HB3 ASP 38 13.198 21.872 13.123 300 H SER 39 H SER 39 13.511 22.882 10.902 301 HA SER 39 HA SER 39 13.030 21.622 8.392 302 HB2 SER 39 HB2 SER 39 15.827 22.195 8.849 303 HB3 SER 39 HB3 SER 39 14.704 22.956 7.723 304 HG SER 39 HG SER 39 15.732 24.031 9.859 305 H ILE 40 H ILE 40 15.283 20.929 11.059 306 HA ILE 40 HA ILE 40 16.521 18.686 10.036 307 HB ILE 40 HB ILE 40 15.737 19.159 12.915 308 HG12 ILE 40 HG12 ILE 40 17.061 20.998 12.001 309 HG13 ILE 40 HG13 ILE 40 18.024 20.060 13.138 310 HG21 ILE 40 HG21 ILE 40 17.852 17.355 11.745 311 HG22 ILE 40 HG22 ILE 40 17.573 17.643 13.462 312 HG23 ILE 40 HG23 ILE 40 16.342 16.834 12.492 313 HD11 ILE 40 HD11 ILE 40 19.099 18.916 11.258 314 HD12 ILE 40 HD12 ILE 40 18.157 19.900 10.137 315 HD13 ILE 40 HD13 ILE 40 19.336 20.662 11.204 316 H SER 41 H SER 41 13.414 18.924 11.701 317 HA SER 41 HA SER 41 12.831 16.262 12.105 318 HB2 SER 41 HB2 SER 41 11.452 18.583 12.433 319 HB3 SER 41 HB3 SER 41 10.573 17.870 11.081 320 HG SER 41 HG SER 41 11.187 16.367 13.389 321 H VAL 42 H VAL 42 12.652 18.128 9.135 322 HA VAL 42 HA VAL 42 11.178 16.431 7.522 323 HB VAL 42 HB VAL 42 13.579 18.084 6.727 324 HG11 VAL 42 HG11 VAL 42 13.351 16.928 4.808 325 HG12 VAL 42 HG12 VAL 42 11.710 16.405 5.195 326 HG13 VAL 42 HG13 VAL 42 11.991 18.020 4.542 327 HG21 VAL 42 HG21 VAL 42 11.624 19.584 5.892 328 HG22 VAL 42 HG22 VAL 42 10.675 18.697 7.085 329 HG23 VAL 42 HG23 VAL 42 12.087 19.623 7.593 330 H MET 43 H MET 43 14.581 16.250 8.429 331 HA MET 43 HA MET 43 15.363 14.228 6.648 332 HB2 MET 43 HB2 MET 43 16.584 15.718 8.645 333 HB3 MET 43 HB3 MET 43 16.676 14.067 9.246 334 HG2 MET 43 HG2 MET 43 18.443 13.752 7.961 335 HG3 MET 43 HG3 MET 43 17.402 13.932 6.550 336 HE1 MET 43 HE1 MET 43 18.375 17.143 4.973 337 HE2 MET 43 HE2 MET 43 18.063 15.422 4.743 338 HE3 MET 43 HE3 MET 43 16.849 16.443 5.514 339 H GLU 44 H GLU 44 13.558 14.127 9.610 340 HA GLU 44 HA GLU 44 13.873 11.263 9.932 341 HB2 GLU 44 HB2 GLU 44 11.999 13.115 11.409 342 HB3 GLU 44 HB3 GLU 44 12.495 11.500 11.894 343 HG2 GLU 44 HG2 GLU 44 14.875 12.896 11.598 344 HG3 GLU 44 HG3 GLU 44 13.774 14.044 12.359 345 H PHE 45 H PHE 45 11.179 13.502 9.277 346 HA PHE 45 HA PHE 45 9.199 11.596 8.851 347 HB2 PHE 45 HB2 PHE 45 9.520 14.319 7.574 348 HB3 PHE 45 HB3 PHE 45 8.044 13.362 7.534 349 HD1 PHE 45 HD1 PHE 45 7.473 12.442 10.071 350 HD2 PHE 45 HD2 PHE 45 9.450 16.067 9.040 351 HE1 PHE 45 HE1 PHE 45 6.775 13.428 12.215 352 HE2 PHE 45 HE2 PHE 45 8.756 17.059 11.182 353 HZ PHE 45 HZ PHE 45 7.417 15.739 12.773 354 H VAL 46 H VAL 46 11.662 12.838 6.678 355 HA VAL 46 HA VAL 46 10.598 11.614 4.325 356 HB VAL 46 HB VAL 46 12.135 13.590 4.306 357 HG11 VAL 46 HG11 VAL 46 13.679 12.576 6.044 358 HG12 VAL 46 HG12 VAL 46 14.353 11.605 4.733 359 HG13 VAL 46 HG13 VAL 46 14.453 13.365 4.670 360 HG21 VAL 46 HG21 VAL 46 13.255 12.963 2.287 361 HG22 VAL 46 HG22 VAL 46 13.178 11.253 2.713 362 HG23 VAL 46 HG23 VAL 46 11.699 12.132 2.324 363 H LEU 47 H LEU 47 12.520 10.529 6.960 364 HA LEU 47 HA LEU 47 13.705 8.307 5.553 365 HB2 LEU 47 HB2 LEU 47 14.557 9.608 7.658 366 HB3 LEU 47 HB3 LEU 47 13.534 8.467 8.528 367 HG LEU 47 HG LEU 47 15.337 7.182 6.623 368 HD11 LEU 47 HD11 LEU 47 16.876 8.907 7.153 369 HD12 LEU 47 HD12 LEU 47 17.324 7.506 8.124 370 HD13 LEU 47 HD13 LEU 47 16.455 8.850 8.864 371 HD21 LEU 47 HD21 LEU 47 14.077 5.924 8.246 372 HD22 LEU 47 HD22 LEU 47 14.768 6.865 9.568 373 HD23 LEU 47 HD23 LEU 47 15.796 5.790 8.618 374 H GLU 48 H GLU 48 11.097 8.777 7.907 375 HA GLU 48 HA GLU 48 10.422 6.059 8.206 376 HB2 GLU 48 HB2 GLU 48 8.195 6.975 8.980 377 HB3 GLU 48 HB3 GLU 48 9.608 7.579 9.835 378 HG2 GLU 48 HG2 GLU 48 9.530 9.647 8.627 379 HG3 GLU 48 HG3 GLU 48 8.238 9.042 7.592 380 H LEU 49 H LEU 49 9.328 8.538 5.945 381 HA LEU 49 HA LEU 49 7.292 6.947 4.751 382 HB2 LEU 49 HB2 LEU 49 8.760 9.324 3.620 383 HB3 LEU 49 HB3 LEU 49 7.245 8.656 3.017 384 HG LEU 49 HG LEU 49 7.421 9.679 5.824 385 HD11 LEU 49 HD11 LEU 49 8.217 11.311 3.858 386 HD12 LEU 49 HD12 LEU 49 7.297 11.863 5.257 387 HD13 LEU 49 HD13 LEU 49 6.472 11.536 3.733 388 HD21 LEU 49 HD21 LEU 49 5.081 9.964 5.598 389 HD22 LEU 49 HD22 LEU 49 5.457 8.374 4.932 390 HD23 LEU 49 HD23 LEU 49 5.150 9.734 3.851 391 H GLU 50 H GLU 50 10.552 7.883 3.652 392 HA GLU 50 HA GLU 50 10.548 6.332 1.314 393 HB2 GLU 50 HB2 GLU 50 12.797 6.874 1.102 394 HB3 GLU 50 HB3 GLU 50 12.181 8.193 2.087 395 HG2 GLU 50 HG2 GLU 50 13.971 7.729 3.353 396 HG3 GLU 50 HG3 GLU 50 12.919 6.483 4.021 397 H ASP 51 H ASP 51 10.973 5.472 4.621 398 HA ASP 51 HA ASP 51 12.267 2.946 4.048 399 HB2 ASP 51 HB2 ASP 51 12.826 4.128 6.113 400 HB3 ASP 51 HB3 ASP 51 11.143 4.058 6.627 401 H GLU 52 H GLU 52 9.223 3.806 5.705 402 HA GLU 52 HA GLU 52 8.066 1.307 5.733 403 HB2 GLU 52 HB2 GLU 52 7.028 4.085 5.783 404 HB3 GLU 52 HB3 GLU 52 5.865 2.819 5.416 405 HG2 GLU 52 HG2 GLU 52 6.116 3.514 7.846 406 HG3 GLU 52 HG3 GLU 52 6.151 1.788 7.488 407 H PHE 53 H PHE 53 7.495 3.831 3.276 408 HA PHE 53 HA PHE 53 6.007 2.161 1.553 409 HB2 PHE 53 HB2 PHE 53 7.584 4.608 0.744 410 HB3 PHE 53 HB3 PHE 53 6.167 3.935 -0.057 411 HD1 PHE 53 HD1 PHE 53 4.537 3.399 2.440 412 HD2 PHE 53 HD2 PHE 53 6.787 6.782 1.171 413 HE1 PHE 53 HE1 PHE 53 3.084 4.865 3.780 414 HE2 PHE 53 HE2 PHE 53 5.338 8.252 2.509 415 HZ PHE 53 HZ PHE 53 3.484 7.294 3.817 416 H GLY 54 H GLY 54 9.416 2.679 1.984 417 HA2 GLY 54 HA2 GLY 54 11.203 1.476 1.159 418 HA3 GLY 54 HA3 GLY 54 10.054 0.413 0.361 419 H THR 55 H THR 55 10.965 3.850 0.070 420 HA THR 55 HA THR 55 11.607 3.378 -2.750 421 HB THR 55 HB THR 55 9.272 4.201 -2.667 422 HG1 THR 55 HG1 THR 55 10.589 4.763 -4.452 423 HG21 THR 55 HG21 THR 55 8.664 6.268 -1.769 424 HG22 THR 55 HG22 THR 55 10.332 6.836 -1.702 425 HG23 THR 55 HG23 THR 55 9.770 5.614 -0.562 426 H GLU 56 H GLU 56 12.762 5.249 -3.732 427 HA GLU 56 HA GLU 56 14.624 6.365 -1.771 428 HB2 GLU 56 HB2 GLU 56 15.566 5.117 -3.671 429 HB3 GLU 56 HB3 GLU 56 14.807 6.243 -4.787 430 HG2 GLU 56 HG2 GLU 56 16.266 7.856 -3.068 431 HG3 GLU 56 HG3 GLU 56 17.303 6.460 -3.354 432 H ILE 57 H ILE 57 14.412 8.392 -1.120 433 HA ILE 57 HA ILE 57 12.835 10.250 -2.759 434 HB ILE 57 HB ILE 57 13.568 10.396 0.167 435 HG12 ILE 57 HG12 ILE 57 10.925 9.881 -1.214 436 HG13 ILE 57 HG13 ILE 57 11.881 8.689 -0.341 437 HG21 ILE 57 HG21 ILE 57 13.447 12.619 -0.789 438 HG22 ILE 57 HG22 ILE 57 11.885 12.247 -1.515 439 HG23 ILE 57 HG23 ILE 57 12.045 12.329 0.240 440 HD11 ILE 57 HD11 ILE 57 10.445 11.074 0.784 441 HD12 ILE 57 HD12 ILE 57 10.118 9.366 1.082 442 HD13 ILE 57 HD13 ILE 57 11.594 10.103 1.704 443 H SER 58 H SER 58 13.991 11.561 -3.999 444 HA SER 58 HA SER 58 16.726 12.002 -3.850 445 HB2 SER 58 HB2 SER 58 14.563 13.744 -5.051 446 HB3 SER 58 HB3 SER 58 16.289 13.984 -5.320 447 HG SER 58 HG SER 58 14.756 11.697 -6.011 448 H ASP 59 H ASP 59 17.844 14.084 -3.441 449 HA ASP 59 HA ASP 59 17.143 15.053 -0.814 450 HB2 ASP 59 HB2 ASP 59 19.503 14.542 -1.589 451 HB3 ASP 59 HB3 ASP 59 19.411 16.007 -2.563 452 H GLU 60 H GLU 60 16.846 16.124 -4.091 453 HA GLU 60 HA GLU 60 16.448 18.899 -3.438 454 HB2 GLU 60 HB2 GLU 60 15.661 17.552 -6.015 455 HB3 GLU 60 HB3 GLU 60 16.074 19.241 -5.755 456 HG2 GLU 60 HG2 GLU 60 18.393 18.515 -5.205 457 HG3 GLU 60 HG3 GLU 60 17.936 16.881 -5.684 458 H ASP 61 H ASP 61 14.298 16.441 -4.879 459 HA ASP 61 HA ASP 61 11.926 17.873 -4.576 460 HB2 ASP 61 HB2 ASP 61 12.591 14.978 -4.916 461 HB3 ASP 61 HB3 ASP 61 10.936 15.424 -4.505 462 H ALA 62 H ALA 62 13.812 16.167 -2.254 463 HA ALA 62 HA ALA 62 11.991 15.416 -0.331 464 HB1 ALA 62 HB1 ALA 62 14.049 16.397 1.186 465 HB2 ALA 62 HB2 ALA 62 13.991 14.794 0.452 466 HB3 ALA 62 HB3 ALA 62 14.826 16.111 -0.371 467 H GLU 63 H GLU 63 12.867 18.602 -1.328 468 HA GLU 63 HA GLU 63 11.783 19.865 1.050 469 HB2 GLU 63 HB2 GLU 63 13.777 20.686 -0.417 470 HB3 GLU 63 HB3 GLU 63 12.518 21.336 -1.458 471 HG2 GLU 63 HG2 GLU 63 11.617 22.447 0.675 472 HG3 GLU 63 HG3 GLU 63 13.204 22.088 1.354 473 H LYS 64 H LYS 64 10.854 19.192 -2.255 474 HA LYS 64 HA LYS 64 8.349 20.673 -1.900 475 HB2 LYS 64 HB2 LYS 64 8.061 20.524 -4.273 476 HB3 LYS 64 HB3 LYS 64 9.720 21.022 -3.968 477 HG2 LYS 64 HG2 LYS 64 10.447 19.338 -5.198 478 HG3 LYS 64 HG3 LYS 64 9.689 18.196 -4.086 479 HD2 LYS 64 HD2 LYS 64 7.545 19.052 -5.529 480 HD3 LYS 64 HD3 LYS 64 8.827 19.106 -6.742 481 HE2 LYS 64 HE2 LYS 64 8.638 16.908 -6.993 482 HE3 LYS 64 HE3 LYS 64 9.152 16.694 -5.321 483 HZ1 LYS 64 HZ1 LYS 64 7.116 15.633 -5.396 484 HZ2 LYS 64 HZ2 LYS 64 6.416 16.788 -6.414 485 HZ3 LYS 64 HZ3 LYS 64 6.698 17.155 -4.786 486 H ILE 65 H ILE 65 8.796 18.230 -0.459 487 HA ILE 65 HA ILE 65 6.470 16.755 -1.407 488 HB ILE 65 HB ILE 65 7.555 14.575 -1.165 489 HG12 ILE 65 HG12 ILE 65 10.298 15.272 -1.360 490 HG13 ILE 65 HG13 ILE 65 9.637 16.159 0.010 491 HG21 ILE 65 HG21 ILE 65 7.433 15.453 -3.380 492 HG22 ILE 65 HG22 ILE 65 8.852 16.465 -3.117 493 HG23 ILE 65 HG23 ILE 65 9.021 14.711 -3.187 494 HD11 ILE 65 HD11 ILE 65 9.709 14.336 1.252 495 HD12 ILE 65 HD12 ILE 65 8.694 13.471 0.097 496 HD13 ILE 65 HD13 ILE 65 10.447 13.472 -0.097 497 H GLU 66 H GLU 66 6.909 18.509 0.819 498 HA GLU 66 HA GLU 66 6.832 16.655 3.098 499 HB2 GLU 66 HB2 GLU 66 7.136 19.662 3.130 500 HB3 GLU 66 HB3 GLU 66 7.267 18.584 4.512 501 HG2 GLU 66 HG2 GLU 66 9.089 18.388 2.136 502 HG3 GLU 66 HG3 GLU 66 9.428 19.433 3.515 503 H THR 67 H THR 67 4.780 18.113 1.013 504 HA THR 67 HA THR 67 2.732 18.757 3.004 505 HB THR 67 HB THR 67 1.741 20.111 1.481 506 HG1 THR 67 HG1 THR 67 1.407 19.544 -0.636 507 HG21 THR 67 HG21 THR 67 4.316 20.515 1.480 508 HG22 THR 67 HG22 THR 67 3.306 21.342 0.295 509 HG23 THR 67 HG23 THR 67 4.226 19.913 -0.174 510 H VAL 68 H VAL 68 0.526 17.957 2.658 511 HA VAL 68 HA VAL 68 0.316 15.221 2.657 512 HB VAL 68 HB VAL 68 -1.847 17.115 1.732 513 HG11 VAL 68 HG11 VAL 68 -2.958 15.043 3.209 514 HG12 VAL 68 HG12 VAL 68 -3.027 15.247 1.457 515 HG13 VAL 68 HG13 VAL 68 -1.758 14.259 2.182 516 HG21 VAL 68 HG21 VAL 68 -2.543 17.036 4.144 517 HG22 VAL 68 HG22 VAL 68 -0.987 16.284 4.497 518 HG23 VAL 68 HG23 VAL 68 -1.047 17.915 3.828 519 H GLY 69 H GLY 69 -0.262 17.406 -0.094 520 HA2 GLY 69 HA2 GLY 69 -0.698 15.192 -1.899 521 HA3 GLY 69 HA3 GLY 69 -0.662 16.897 -2.324 522 H ALA 70 H ALA 70 1.848 17.615 -1.400 523 HA ALA 70 HA ALA 70 3.493 16.865 -3.535 524 HB1 ALA 70 HB1 ALA 70 4.803 17.786 -1.046 525 HB2 ALA 70 HB2 ALA 70 4.989 18.353 -2.706 526 HB3 ALA 70 HB3 ALA 70 3.589 18.851 -1.755 527 H ALA 71 H ALA 71 2.787 15.238 -0.622 528 HA ALA 71 HA ALA 71 5.242 13.690 -0.587 529 HB1 ALA 71 HB1 ALA 71 2.808 13.812 1.145 530 HB2 ALA 71 HB2 ALA 71 3.909 12.438 1.254 531 HB3 ALA 71 HB3 ALA 71 4.500 14.070 1.570 532 H VAL 72 H VAL 72 1.799 12.747 -0.639 533 HA VAL 72 HA VAL 72 2.188 10.143 -1.531 534 HB VAL 72 HB VAL 72 0.055 10.843 -0.630 535 HG11 VAL 72 HG11 VAL 72 0.203 13.142 -1.733 536 HG12 VAL 72 HG12 VAL 72 -0.507 12.371 -3.152 537 HG13 VAL 72 HG13 VAL 72 -1.391 12.395 -1.626 538 HG21 VAL 72 HG21 VAL 72 -0.645 10.179 -3.448 539 HG22 VAL 72 HG22 VAL 72 0.332 9.039 -2.523 540 HG23 VAL 72 HG23 VAL 72 -1.268 9.503 -1.943 541 H ASP 73 H ASP 73 1.743 13.123 -3.375 542 HA ASP 73 HA ASP 73 1.521 11.952 -5.923 543 HB2 ASP 73 HB2 ASP 73 1.022 14.363 -5.258 544 HB3 ASP 73 HB3 ASP 73 2.756 14.649 -5.371 545 H TYR 74 H TYR 74 4.232 12.485 -3.856 546 HA TYR 74 HA TYR 74 6.167 12.153 -6.001 547 HB2 TYR 74 HB2 TYR 74 6.617 13.745 -4.163 548 HB3 TYR 74 HB3 TYR 74 6.603 12.408 -3.018 549 HD1 TYR 74 HD2 TYR 74 8.327 13.505 -6.144 550 HD2 TYR 74 HD1 TYR 74 8.609 11.395 -2.460 551 HE1 TYR 74 HE2 TYR 74 10.729 13.152 -6.537 552 HE2 TYR 74 HE1 TYR 74 11.013 11.037 -2.842 553 HH TYR 74 HH TYR 74 12.489 11.054 -5.410 554 H ILE 75 H ILE 75 5.322 10.474 -2.973 555 HA ILE 75 HA ILE 75 6.975 8.254 -3.320 556 HB ILE 75 HB ILE 75 4.284 8.281 -1.949 557 HG12 ILE 75 HG12 ILE 75 5.697 10.074 -1.088 558 HG13 ILE 75 HG13 ILE 75 5.569 8.784 0.103 559 HG21 ILE 75 HG21 ILE 75 4.708 6.210 -1.248 560 HG22 ILE 75 HG22 ILE 75 5.980 6.161 -2.467 561 HG23 ILE 75 HG23 ILE 75 6.366 6.616 -0.808 562 HD11 ILE 75 HD11 ILE 75 7.773 8.755 0.221 563 HD12 ILE 75 HD12 ILE 75 7.824 8.190 -1.449 564 HD13 ILE 75 HD13 ILE 75 7.898 9.917 -1.099 565 H VAL 76 H VAL 76 3.641 8.807 -4.378 566 HA VAL 76 HA VAL 76 3.260 6.204 -5.456 567 HB VAL 76 HB VAL 76 1.816 8.789 -6.055 568 HG11 VAL 76 HG11 VAL 76 1.328 5.968 -6.938 569 HG12 VAL 76 HG12 VAL 76 -0.003 7.117 -6.787 570 HG13 VAL 76 HG13 VAL 76 1.329 7.448 -7.895 571 HG21 VAL 76 HG21 VAL 76 0.157 8.044 -4.507 572 HG22 VAL 76 HG22 VAL 76 0.951 6.480 -4.322 573 HG23 VAL 76 HG23 VAL 76 1.723 7.939 -3.702 574 H SER 77 H SER 77 3.648 9.342 -7.117 575 HA SER 77 HA SER 77 3.917 8.400 -9.693 576 HB2 SER 77 HB2 SER 77 3.742 10.808 -9.004 577 HB3 SER 77 HB3 SER 77 5.447 10.750 -8.555 578 HG SER 77 HG SER 77 5.727 11.282 -10.574 579 H ASN 78 H ASN 78 6.252 8.405 -7.105 580 HA ASN 78 HA ASN 78 8.460 7.705 -8.841 581 HB2 ASN 78 HB2 ASN 78 8.718 9.102 -6.760 582 HB3 ASN 78 HB3 ASN 78 8.380 7.651 -5.820 583 HD21 ASN 78 HD21 ASN 78 10.706 9.411 -7.590 584 HD22 ASN 78 HD22 ASN 78 12.029 8.321 -7.377 585 H SER 79 H SER 79 6.208 6.110 -6.688 586 HA SER 79 HA SER 79 7.454 3.669 -6.304 587 HB2 SER 79 HB2 SER 79 5.388 4.224 -5.158 588 HB3 SER 79 HB3 SER 79 4.509 4.258 -6.687 589 HG SER 79 HG SER 79 4.397 2.264 -5.349 Start of MODEL 4 1 H1 MET 1 H MET 1 2.002 -1.915 -1.105 2 HA MET 1 HA MET 1 2.606 0.715 -0.139 3 HB2 MET 1 HB2 MET 1 4.344 0.688 -1.928 4 HB3 MET 1 HB3 MET 1 4.429 -0.688 -0.836 5 HG2 MET 1 HG2 MET 1 2.772 -1.177 -3.181 6 HG3 MET 1 HG3 MET 1 4.448 -0.799 -3.570 7 HE1 MET 1 HE1 MET 1 4.948 -2.970 -4.648 8 HE2 MET 1 HE2 MET 1 6.307 -2.653 -3.570 9 HE3 MET 1 HE3 MET 1 5.634 -4.280 -3.686 10 H THR 2 H THR 2 -0.037 0.397 -1.286 11 HA THR 2 HA THR 2 0.045 1.814 -3.820 12 HB THR 2 HB THR 2 -1.624 0.006 -3.415 13 HG1 THR 2 HG1 THR 2 -2.714 1.074 -4.869 14 HG21 THR 2 HG21 THR 2 -3.146 0.053 -1.749 15 HG22 THR 2 HG22 THR 2 -3.392 1.794 -1.888 16 HG23 THR 2 HG23 THR 2 -2.011 1.167 -0.989 17 H ARG 3 H ARG 3 -1.687 3.641 -4.002 18 HA ARG 3 HA ARG 3 -0.778 5.830 -2.520 19 HB2 ARG 3 HB2 ARG 3 -2.732 7.034 -3.484 20 HB3 ARG 3 HB3 ARG 3 -1.788 6.156 -4.681 21 HG2 ARG 3 HG2 ARG 3 -3.488 4.285 -4.426 22 HG3 ARG 3 HG3 ARG 3 -4.478 5.457 -3.554 23 HD2 ARG 3 HD2 ARG 3 -4.890 6.707 -5.422 24 HD3 ARG 3 HD3 ARG 3 -3.365 6.263 -6.186 25 HE ARG 3 HE ARG 3 -5.208 4.074 -5.956 26 HH11 ARG 3 HH11 ARG 3 -4.251 6.811 -7.883 27 HH12 ARG 3 HH12 ARG 3 -4.907 6.171 -9.353 28 HH21 ARG 3 HH21 ARG 3 -6.076 3.221 -7.885 29 HH22 ARG 3 HH22 ARG 3 -5.946 4.129 -9.353 30 H GLU 4 H GLU 4 -3.568 3.725 -2.066 31 HA GLU 4 HA GLU 4 -4.859 5.217 -0.065 32 HB2 GLU 4 HB2 GLU 4 -4.852 2.224 -0.493 33 HB3 GLU 4 HB3 GLU 4 -5.998 3.108 0.505 34 HG2 GLU 4 HG2 GLU 4 -6.525 4.417 -1.650 35 HG3 GLU 4 HG3 GLU 4 -5.724 3.079 -2.471 36 H GLU 5 H GLU 5 -2.899 2.262 0.355 37 HA GLU 5 HA GLU 5 -2.702 2.294 3.099 38 HB2 GLU 5 HB2 GLU 5 -0.948 1.247 0.923 39 HB3 GLU 5 HB3 GLU 5 -0.329 1.245 2.569 40 HG2 GLU 5 HG2 GLU 5 -1.891 -0.283 3.301 41 HG3 GLU 5 HG3 GLU 5 -3.018 0.088 1.997 42 H VAL 6 H VAL 6 -0.527 3.861 0.764 43 HA VAL 6 HA VAL 6 1.263 4.950 2.629 44 HB VAL 6 HB VAL 6 0.503 6.000 -0.101 45 HG11 VAL 6 HG11 VAL 6 2.138 7.145 1.935 46 HG12 VAL 6 HG12 VAL 6 3.164 6.654 0.586 47 HG13 VAL 6 HG13 VAL 6 1.807 7.747 0.311 48 HG21 VAL 6 HG21 VAL 6 1.656 3.615 0.469 49 HG22 VAL 6 HG22 VAL 6 1.931 4.522 -1.018 50 HG23 VAL 6 HG23 VAL 6 3.078 4.646 0.316 51 H LEU 7 H LEU 7 -1.486 6.508 0.972 52 HA LEU 7 HA LEU 7 -1.363 8.977 2.213 53 HB2 LEU 7 HB2 LEU 7 -2.833 8.770 0.407 54 HB3 LEU 7 HB3 LEU 7 -3.644 7.374 1.113 55 HG LEU 7 HG LEU 7 -3.904 9.855 2.663 56 HD11 LEU 7 HD11 LEU 7 -4.602 9.752 -0.197 57 HD12 LEU 7 HD12 LEU 7 -4.288 11.136 0.850 58 HD13 LEU 7 HD13 LEU 7 -5.863 10.344 0.885 59 HD21 LEU 7 HD21 LEU 7 -5.224 8.126 3.432 60 HD22 LEU 7 HD22 LEU 7 -5.600 7.548 1.809 61 HD23 LEU 7 HD23 LEU 7 -6.358 9.020 2.419 62 H GLN 8 H GLN 8 -3.071 6.052 3.274 63 HA GLN 8 HA GLN 8 -4.293 7.134 5.545 64 HB2 GLN 8 HB2 GLN 8 -3.516 4.378 4.694 65 HB3 GLN 8 HB3 GLN 8 -4.036 4.635 6.354 66 HG2 GLN 8 HG2 GLN 8 -5.888 5.943 4.661 67 HG3 GLN 8 HG3 GLN 8 -5.616 4.323 4.020 68 HE21 GLN 8 HE21 GLN 8 -7.565 6.025 5.951 69 HE22 GLN 8 HE22 GLN 8 -8.072 4.795 7.054 70 H LYS 9 H LYS 9 -1.341 5.131 5.431 71 HA LYS 9 HA LYS 9 -0.546 5.327 8.038 72 HB2 LYS 9 HB2 LYS 9 0.726 4.725 5.510 73 HB3 LYS 9 HB3 LYS 9 1.835 5.575 6.578 74 HG2 LYS 9 HG2 LYS 9 2.033 3.160 6.819 75 HG3 LYS 9 HG3 LYS 9 1.468 3.911 8.313 76 HD2 LYS 9 HD2 LYS 9 -0.730 3.148 6.580 77 HD3 LYS 9 HD3 LYS 9 0.298 1.772 6.988 78 HE2 LYS 9 HE2 LYS 9 0.115 2.786 9.411 79 HE3 LYS 9 HE3 LYS 9 -1.354 3.510 8.758 80 HZ1 LYS 9 HZ1 LYS 9 -2.150 1.538 9.550 81 HZ2 LYS 9 HZ2 LYS 9 -0.726 0.685 9.230 82 HZ3 LYS 9 HZ3 LYS 9 -1.779 1.075 7.966 83 H VAL 10 H VAL 10 0.601 7.498 5.446 84 HA VAL 10 HA VAL 10 2.014 9.294 6.971 85 HB VAL 10 HB VAL 10 0.327 9.872 4.533 86 HG11 VAL 10 HG11 VAL 10 1.778 11.862 4.265 87 HG12 VAL 10 HG12 VAL 10 0.747 11.942 5.695 88 HG13 VAL 10 HG13 VAL 10 2.457 11.543 5.861 89 HG21 VAL 10 HG21 VAL 10 1.886 8.596 3.558 90 HG22 VAL 10 HG22 VAL 10 2.968 9.967 3.802 91 HG23 VAL 10 HG23 VAL 10 2.941 8.646 4.971 92 H ALA 11 H ALA 11 -1.458 9.378 6.220 93 HA ALA 11 HA ALA 11 -2.032 11.772 7.584 94 HB1 ALA 11 HB1 ALA 11 -3.542 9.617 6.335 95 HB2 ALA 11 HB2 ALA 11 -4.361 10.322 7.729 96 HB3 ALA 11 HB3 ALA 11 -3.867 11.350 6.384 97 H LYS 12 H LYS 12 -1.821 8.435 8.653 98 HA LYS 12 HA LYS 12 -2.961 8.909 11.234 99 HB2 LYS 12 HB2 LYS 12 -2.817 6.681 9.974 100 HB3 LYS 12 HB3 LYS 12 -1.144 6.617 10.512 101 HG2 LYS 12 HG2 LYS 12 -2.663 7.186 12.796 102 HG3 LYS 12 HG3 LYS 12 -3.538 5.925 11.925 103 HD2 LYS 12 HD2 LYS 12 -1.891 4.386 12.225 104 HD3 LYS 12 HD3 LYS 12 -0.605 5.595 12.178 105 HE2 LYS 12 HE2 LYS 12 -0.489 5.435 14.393 106 HE3 LYS 12 HE3 LYS 12 -2.078 6.195 14.467 107 HZ1 LYS 12 HZ1 LYS 12 -2.389 3.461 13.891 108 HZ2 LYS 12 HZ2 LYS 12 -2.920 4.319 15.248 109 HZ3 LYS 12 HZ3 LYS 12 -1.382 3.614 15.242 110 H ILE 13 H ILE 13 0.365 8.045 10.264 111 HA ILE 13 HA ILE 13 1.613 8.496 12.682 112 HB ILE 13 HB ILE 13 2.782 9.066 9.956 113 HG12 ILE 13 HG12 ILE 13 2.746 6.518 11.590 114 HG13 ILE 13 HG13 ILE 13 1.849 6.802 10.102 115 HG21 ILE 13 HG21 ILE 13 4.936 8.593 11.044 116 HG22 ILE 13 HG22 ILE 13 4.130 9.997 11.742 117 HG23 ILE 13 HG23 ILE 13 4.107 8.453 12.594 118 HD11 ILE 13 HD11 ILE 13 4.581 5.953 10.484 119 HD12 ILE 13 HD12 ILE 13 3.568 5.895 9.041 120 HD13 ILE 13 HD13 ILE 13 4.472 7.359 9.426 121 H ILE 14 H ILE 14 0.734 10.818 10.185 122 HA ILE 14 HA ILE 14 2.102 13.022 11.383 123 HB ILE 14 HB ILE 14 -0.013 12.842 9.250 124 HG12 ILE 14 HG12 ILE 14 2.885 13.714 9.206 125 HG13 ILE 14 HG13 ILE 14 2.277 12.156 8.658 126 HG21 ILE 14 HG21 ILE 14 1.233 15.316 10.432 127 HG22 ILE 14 HG22 ILE 14 0.374 15.282 8.893 128 HG23 ILE 14 HG23 ILE 14 -0.478 14.893 10.388 129 HD11 ILE 14 HD11 ILE 14 2.540 13.357 6.700 130 HD12 ILE 14 HD12 ILE 14 0.821 13.540 7.052 131 HD13 ILE 14 HD13 ILE 14 1.941 14.852 7.418 132 H SER 15 H SER 15 -1.340 12.119 11.171 133 HA SER 15 HA SER 15 -2.302 14.203 12.789 134 HB2 SER 15 HB2 SER 15 -3.749 12.853 11.315 135 HB3 SER 15 HB3 SER 15 -3.499 11.454 12.360 136 HG SER 15 HG SER 15 -5.023 12.194 13.584 137 H ASN 16 H ASN 16 -0.581 11.367 13.577 138 HA ASN 16 HA ASN 16 -1.489 11.368 16.353 139 HB2 ASN 16 HB2 ASN 16 0.044 9.476 14.632 140 HB3 ASN 16 HB3 ASN 16 0.334 9.431 16.368 141 HD21 ASN 16 HD21 ASN 16 -2.449 9.699 14.177 142 HD22 ASN 16 HD22 ASN 16 -3.417 8.522 14.992 143 H HIS 17 H HIS 17 1.491 11.777 14.472 144 HA HIS 17 HA HIS 17 3.151 12.332 16.702 145 HB2 HIS 17 HB2 HIS 17 4.016 11.589 14.503 146 HB3 HIS 17 HB3 HIS 17 3.539 13.136 13.810 147 HD1 HIS 17 HD1 HIS 17 6.408 11.495 15.072 148 HD2 HIS 17 HD2 HIS 17 4.908 15.357 15.387 149 HE1 HIS 17 HE1 HIS 17 8.367 12.925 15.736 150 H PHE 18 H PHE 18 1.511 14.427 14.348 151 HA PHE 18 HA PHE 18 2.248 16.778 15.918 152 HB2 PHE 18 HB2 PHE 18 0.840 16.557 13.249 153 HB3 PHE 18 HB3 PHE 18 1.311 18.064 14.027 154 HD1 PHE 18 HD1 PHE 18 3.710 18.613 14.297 155 HD2 PHE 18 HD2 PHE 18 2.399 15.246 12.046 156 HE1 PHE 18 HE1 PHE 18 5.916 18.481 13.215 157 HE2 PHE 18 HE2 PHE 18 4.604 15.109 10.962 158 HZ PHE 18 HZ PHE 18 6.365 16.728 11.545 159 H ASP 19 H ASP 19 0.260 18.502 15.653 160 HA ASP 19 HA ASP 19 -1.946 17.228 17.113 161 HB2 ASP 19 HB2 ASP 19 -0.512 19.264 17.980 162 HB3 ASP 19 HB3 ASP 19 -1.605 20.196 16.961 163 H ILE 20 H ILE 20 -1.531 17.410 14.123 164 HA ILE 20 HA ILE 20 -3.643 19.157 13.217 165 HB ILE 20 HB ILE 20 -1.555 18.588 11.884 166 HG12 ILE 20 HG12 ILE 20 -4.172 18.071 10.463 167 HG13 ILE 20 HG13 ILE 20 -3.647 19.668 10.983 168 HG21 ILE 20 HG21 ILE 20 -3.097 16.065 11.296 169 HG22 ILE 20 HG22 ILE 20 -1.564 16.555 10.578 170 HG23 ILE 20 HG23 ILE 20 -1.646 16.156 12.293 171 HD11 ILE 20 HD11 ILE 20 -1.622 18.302 9.428 172 HD12 ILE 20 HD12 ILE 20 -3.140 18.488 8.551 173 HD13 ILE 20 HD13 ILE 20 -2.327 19.904 9.217 174 H GLU 21 H GLU 21 -5.468 18.357 11.934 175 HA GLU 21 HA GLU 21 -6.695 16.071 13.248 176 HB2 GLU 21 HB2 GLU 21 -7.643 18.437 11.769 177 HB3 GLU 21 HB3 GLU 21 -8.575 16.972 11.494 178 HG2 GLU 21 HG2 GLU 21 -8.002 18.237 14.164 179 HG3 GLU 21 HG3 GLU 21 -9.532 18.286 13.290 180 H ALA 22 H ALA 22 -6.788 14.110 12.385 181 HA ALA 22 HA ALA 22 -5.542 13.396 9.998 182 HB1 ALA 22 HB1 ALA 22 -7.592 11.499 10.638 183 HB2 ALA 22 HB2 ALA 22 -5.843 11.358 10.823 184 HB3 ALA 22 HB3 ALA 22 -6.813 12.062 12.117 185 H ASP 23 H ASP 23 -8.644 14.737 10.534 186 HA ASP 23 HA ASP 23 -9.656 13.847 7.941 187 HB2 ASP 23 HB2 ASP 23 -11.106 15.639 9.880 188 HB3 ASP 23 HB3 ASP 23 -11.787 14.602 8.629 189 H GLN 24 H GLN 24 -8.430 16.675 9.567 190 HA GLN 24 HA GLN 24 -9.240 18.505 7.496 191 HB2 GLN 24 HB2 GLN 24 -7.345 18.845 9.826 192 HB3 GLN 24 HB3 GLN 24 -7.854 20.142 8.752 193 HG2 GLN 24 HG2 GLN 24 -9.681 18.513 10.504 194 HG3 GLN 24 HG3 GLN 24 -9.088 20.133 10.866 195 HE21 GLN 24 HE21 GLN 24 -9.488 21.711 8.976 196 HE22 GLN 24 HE22 GLN 24 -11.083 21.678 8.313 197 H VAL 25 H VAL 25 -6.391 16.650 8.313 198 HA VAL 25 HA VAL 25 -4.385 17.865 6.922 199 HB VAL 25 HB VAL 25 -3.535 15.529 6.396 200 HG11 VAL 25 HG11 VAL 25 -4.237 16.481 9.147 201 HG12 VAL 25 HG12 VAL 25 -3.367 14.963 8.911 202 HG13 VAL 25 HG13 VAL 25 -2.673 16.479 8.333 203 HG21 VAL 25 HG21 VAL 25 -4.765 13.724 7.682 204 HG22 VAL 25 HG22 VAL 25 -6.131 14.837 7.752 205 HG23 VAL 25 HG23 VAL 25 -5.529 14.278 6.192 206 H THR 26 H THR 26 -4.494 18.749 4.963 207 HA THR 26 HA THR 26 -5.491 17.091 2.747 208 HB THR 26 HB THR 26 -7.230 18.726 3.217 209 HG1 THR 26 HG1 THR 26 -7.032 18.356 1.049 210 HG21 THR 26 HG21 THR 26 -4.948 20.671 3.089 211 HG22 THR 26 HG22 THR 26 -6.191 20.499 4.328 212 HG23 THR 26 HG23 THR 26 -6.600 21.186 2.756 213 H ASP 27 H ASP 27 -4.693 17.820 0.612 214 HA ASP 27 HA ASP 27 -1.894 18.108 0.619 215 HB2 ASP 27 HB2 ASP 27 -2.831 17.016 -1.251 216 HB3 ASP 27 HB3 ASP 27 -3.976 18.321 -1.546 217 H GLN 28 H GLN 28 -4.389 20.414 0.873 218 HA GLN 28 HA GLN 28 -2.691 22.605 -0.054 219 HB2 GLN 28 HB2 GLN 28 -5.597 22.262 0.466 220 HB3 GLN 28 HB3 GLN 28 -4.922 23.866 0.718 221 HG2 GLN 28 HG2 GLN 28 -4.083 23.883 -1.570 222 HG3 GLN 28 HG3 GLN 28 -4.741 22.267 -1.825 223 HE21 GLN 28 HE21 GLN 28 -6.041 22.991 -3.514 224 HE22 GLN 28 HE22 GLN 28 -7.465 23.929 -3.236 225 H LEU 29 H LEU 29 -2.551 20.941 2.564 226 HA LEU 29 HA LEU 29 -2.123 23.273 4.293 227 HB2 LEU 29 HB2 LEU 29 -3.747 20.837 4.866 228 HB3 LEU 29 HB3 LEU 29 -2.873 21.620 6.181 229 HG LEU 29 HG LEU 29 -4.976 22.916 4.448 230 HD11 LEU 29 HD11 LEU 29 -5.365 22.562 7.348 231 HD12 LEU 29 HD12 LEU 29 -5.451 21.098 6.369 232 HD13 LEU 29 HD13 LEU 29 -6.523 22.455 6.021 233 HD21 LEU 29 HD21 LEU 29 -4.125 24.842 5.151 234 HD22 LEU 29 HD22 LEU 29 -2.936 24.008 6.152 235 HD23 LEU 29 HD23 LEU 29 -4.536 24.370 6.800 236 H ASN 30 H ASN 30 0.087 22.866 3.504 237 HA ASN 30 HA ASN 30 1.542 20.544 3.953 238 HB2 ASN 30 HB2 ASN 30 2.573 22.201 2.629 239 HB3 ASN 30 HB3 ASN 30 2.346 23.444 3.856 240 HD21 ASN 30 HD21 ASN 30 3.602 20.163 4.199 241 HD22 ASN 30 HD22 ASN 30 5.165 20.632 4.767 242 H ILE 31 H ILE 31 2.211 19.529 5.724 243 HA ILE 31 HA ILE 31 1.556 20.461 8.318 244 HB ILE 31 HB ILE 31 3.360 18.195 7.464 245 HG12 ILE 31 HG12 ILE 31 1.149 17.062 8.558 246 HG13 ILE 31 HG13 ILE 31 0.447 18.516 7.857 247 HG21 ILE 31 HG21 ILE 31 4.065 18.523 9.623 248 HG22 ILE 31 HG22 ILE 31 2.512 19.171 10.148 249 HG23 ILE 31 HG23 ILE 31 2.701 17.437 9.887 250 HD11 ILE 31 HD11 ILE 31 0.782 17.816 5.736 251 HD12 ILE 31 HD12 ILE 31 2.263 16.946 6.136 252 HD13 ILE 31 HD13 ILE 31 0.693 16.237 6.516 253 H LYS 32 H LYS 32 4.613 20.236 6.538 254 HA LYS 32 HA LYS 32 6.430 20.917 8.466 255 HB2 LYS 32 HB2 LYS 32 6.956 20.382 6.089 256 HB3 LYS 32 HB3 LYS 32 6.424 21.997 5.642 257 HG2 LYS 32 HG2 LYS 32 8.310 22.304 7.712 258 HG3 LYS 32 HG3 LYS 32 8.978 21.137 6.568 259 HD2 LYS 32 HD2 LYS 32 8.910 22.656 4.796 260 HD3 LYS 32 HD3 LYS 32 7.753 23.705 5.619 261 HE2 LYS 32 HE2 LYS 32 10.416 23.277 6.874 262 HE3 LYS 32 HE3 LYS 32 10.320 24.320 5.456 263 HZ1 LYS 32 HZ1 LYS 32 9.178 25.894 6.578 264 HZ2 LYS 32 HZ2 LYS 32 9.961 25.212 7.912 265 HZ3 LYS 32 HZ3 LYS 32 8.361 24.787 7.563 266 H ASP 33 H ASP 33 4.380 23.122 6.596 267 HA ASP 33 HA ASP 33 5.377 25.420 8.066 268 HB2 ASP 33 HB2 ASP 33 3.704 24.986 5.660 269 HB3 ASP 33 HB3 ASP 33 3.341 26.426 6.607 270 H ASP 34 H ASP 34 2.167 23.977 7.476 271 HA ASP 34 HA ASP 34 0.647 25.435 9.210 272 HB2 ASP 34 HB2 ASP 34 -0.234 23.669 7.718 273 HB3 ASP 34 HB3 ASP 34 0.438 22.445 8.793 274 H LEU 35 H LEU 35 2.270 22.373 10.065 275 HA LEU 35 HA LEU 35 1.798 22.810 12.874 276 HB2 LEU 35 HB2 LEU 35 3.167 20.692 11.261 277 HB3 LEU 35 HB3 LEU 35 3.364 20.750 13.011 278 HG LEU 35 HG LEU 35 1.661 19.140 12.396 279 HD11 LEU 35 HD11 LEU 35 1.456 20.587 14.461 280 HD12 LEU 35 HD12 LEU 35 -0.028 19.825 13.891 281 HD13 LEU 35 HD13 LEU 35 0.267 21.533 13.565 282 HD21 LEU 35 HD21 LEU 35 0.016 19.489 10.906 283 HD22 LEU 35 HD22 LEU 35 1.056 20.796 10.339 284 HD23 LEU 35 HD23 LEU 35 -0.270 21.142 11.451 285 H ASN 36 H ASN 36 4.230 23.625 10.616 286 HA ASN 36 HA ASN 36 6.184 24.775 10.814 287 HB2 ASN 36 HB2 ASN 36 4.659 25.816 12.778 288 HB3 ASN 36 HB3 ASN 36 5.963 25.138 13.749 289 HD21 ASN 36 HD21 ASN 36 5.269 27.910 13.341 290 HD22 ASN 36 HD22 ASN 36 6.659 28.670 12.651 291 H ALA 37 H ALA 37 5.980 21.872 11.304 292 HA ALA 37 HA ALA 37 7.531 20.873 13.327 293 HB1 ALA 37 HB1 ALA 37 6.324 19.684 11.356 294 HB2 ALA 37 HB2 ALA 37 7.895 19.797 10.563 295 HB3 ALA 37 HB3 ALA 37 7.739 18.933 12.093 296 H ASP 38 H ASP 38 9.705 20.527 13.692 297 HA ASP 38 HA ASP 38 11.493 22.506 12.775 298 HB2 ASP 38 HB2 ASP 38 12.316 19.887 14.024 299 HB3 ASP 38 HB3 ASP 38 13.141 21.440 14.115 300 H SER 39 H SER 39 13.767 21.763 11.947 301 HA SER 39 HA SER 39 13.315 20.632 9.338 302 HB2 SER 39 HB2 SER 39 15.887 21.566 10.636 303 HB3 SER 39 HB3 SER 39 15.675 21.184 8.928 304 HG SER 39 HG SER 39 15.122 23.197 8.748 305 H ILE 40 H ILE 40 15.344 19.785 12.137 306 HA ILE 40 HA ILE 40 16.515 17.481 11.191 307 HB ILE 40 HB ILE 40 15.519 17.965 14.001 308 HG12 ILE 40 HG12 ILE 40 17.022 19.731 13.242 309 HG13 ILE 40 HG13 ILE 40 17.834 18.716 14.429 310 HG21 ILE 40 HG21 ILE 40 17.212 16.334 14.673 311 HG22 ILE 40 HG22 ILE 40 16.015 15.614 13.598 312 HG23 ILE 40 HG23 ILE 40 17.609 16.046 12.979 313 HD11 ILE 40 HD11 ILE 40 19.318 19.284 12.601 314 HD12 ILE 40 HD12 ILE 40 18.996 17.550 12.625 315 HD13 ILE 40 HD13 ILE 40 18.189 18.581 11.444 316 H SER 41 H SER 41 13.336 17.832 12.724 317 HA SER 41 HA SER 41 12.588 15.192 12.942 318 HB2 SER 41 HB2 SER 41 10.627 17.258 11.974 319 HB3 SER 41 HB3 SER 41 10.370 15.937 13.114 320 HG SER 41 HG SER 41 10.577 17.617 14.436 321 H VAL 42 H VAL 42 12.622 17.234 10.082 322 HA VAL 42 HA VAL 42 11.130 15.688 8.328 323 HB VAL 42 HB VAL 42 13.614 17.270 7.655 324 HG11 VAL 42 HG11 VAL 42 13.274 16.317 5.649 325 HG12 VAL 42 HG12 VAL 42 11.624 15.833 6.046 326 HG13 VAL 42 HG13 VAL 42 11.957 17.483 5.517 327 HG21 VAL 42 HG21 VAL 42 11.837 19.007 7.018 328 HG22 VAL 42 HG22 VAL 42 10.746 18.068 8.037 329 HG23 VAL 42 HG23 VAL 42 12.199 18.790 8.730 330 H MET 43 H MET 43 14.514 15.373 9.284 331 HA MET 43 HA MET 43 15.265 13.420 7.411 332 HB2 MET 43 HB2 MET 43 16.576 14.822 9.325 333 HB3 MET 43 HB3 MET 43 16.488 13.244 10.095 334 HG2 MET 43 HG2 MET 43 18.529 13.272 8.952 335 HG3 MET 43 HG3 MET 43 17.449 12.296 7.960 336 HE1 MET 43 HE1 MET 43 19.928 12.994 7.003 337 HE2 MET 43 HE2 MET 43 19.189 12.973 5.402 338 HE3 MET 43 HE3 MET 43 20.146 14.364 5.914 339 H GLU 44 H GLU 44 13.376 13.232 10.299 340 HA GLU 44 HA GLU 44 13.659 10.359 10.552 341 HB2 GLU 44 HB2 GLU 44 11.764 12.214 12.000 342 HB3 GLU 44 HB3 GLU 44 12.158 10.560 12.446 343 HG2 GLU 44 HG2 GLU 44 14.399 11.171 13.003 344 HG3 GLU 44 HG3 GLU 44 14.165 12.797 12.365 345 H PHE 45 H PHE 45 11.014 12.636 9.836 346 HA PHE 45 HA PHE 45 9.048 10.745 9.267 347 HB2 PHE 45 HB2 PHE 45 9.386 13.488 8.036 348 HB3 PHE 45 HB3 PHE 45 7.901 12.542 8.051 349 HD1 PHE 45 HD1 PHE 45 7.386 11.653 10.602 350 HD2 PHE 45 HD2 PHE 45 9.398 15.239 9.500 351 HE1 PHE 45 HE1 PHE 45 6.765 12.660 12.760 352 HE2 PHE 45 HE2 PHE 45 8.782 16.251 11.656 353 HZ PHE 45 HZ PHE 45 7.465 14.962 13.290 354 H VAL 46 H VAL 46 11.428 12.267 7.130 355 HA VAL 46 HA VAL 46 10.517 11.092 4.731 356 HB VAL 46 HB VAL 46 12.070 13.047 4.869 357 HG11 VAL 46 HG11 VAL 46 14.301 12.854 5.439 358 HG12 VAL 46 HG12 VAL 46 13.533 11.768 6.600 359 HG13 VAL 46 HG13 VAL 46 14.328 11.112 5.168 360 HG21 VAL 46 HG21 VAL 46 13.216 10.815 3.207 361 HG22 VAL 46 HG22 VAL 46 11.700 11.627 2.815 362 HG23 VAL 46 HG23 VAL 46 13.207 12.543 2.851 363 H LEU 47 H LEU 47 12.329 9.844 7.372 364 HA LEU 47 HA LEU 47 13.545 7.688 5.892 365 HB2 LEU 47 HB2 LEU 47 14.411 8.822 8.033 366 HB3 LEU 47 HB3 LEU 47 13.247 7.800 8.874 367 HG LEU 47 HG LEU 47 14.510 5.900 7.509 368 HD11 LEU 47 HD11 LEU 47 17.015 6.600 7.756 369 HD12 LEU 47 HD12 LEU 47 16.372 8.229 7.552 370 HD13 LEU 47 HD13 LEU 47 16.112 7.015 6.299 371 HD21 LEU 47 HD21 LEU 47 14.374 5.679 9.815 372 HD22 LEU 47 HD22 LEU 47 15.203 7.208 10.112 373 HD23 LEU 47 HD23 LEU 47 16.110 5.809 9.534 374 H GLU 48 H GLU 48 11.001 7.929 8.377 375 HA GLU 48 HA GLU 48 10.252 5.244 8.392 376 HB2 GLU 48 HB2 GLU 48 8.010 6.145 9.194 377 HB3 GLU 48 HB3 GLU 48 9.423 6.601 10.135 378 HG2 GLU 48 HG2 GLU 48 9.447 8.785 9.171 379 HG3 GLU 48 HG3 GLU 48 8.187 8.344 8.020 380 H LEU 49 H LEU 49 9.163 7.910 6.345 381 HA LEU 49 HA LEU 49 7.119 6.461 5.019 382 HB2 LEU 49 HB2 LEU 49 8.676 8.850 4.043 383 HB3 LEU 49 HB3 LEU 49 7.138 8.276 3.402 384 HG LEU 49 HG LEU 49 7.322 9.091 6.270 385 HD11 LEU 49 HD11 LEU 49 8.323 10.840 4.603 386 HD12 LEU 49 HD12 LEU 49 7.188 11.344 5.854 387 HD13 LEU 49 HD13 LEU 49 6.629 11.118 4.197 388 HD21 LEU 49 HD21 LEU 49 4.999 9.609 5.967 389 HD22 LEU 49 HD22 LEU 49 5.301 7.993 5.329 390 HD23 LEU 49 HD23 LEU 49 5.124 9.358 4.225 391 H GLU 50 H GLU 50 10.359 7.447 3.888 392 HA GLU 50 HA GLU 50 10.316 5.979 1.508 393 HB2 GLU 50 HB2 GLU 50 12.550 6.545 1.265 394 HB3 GLU 50 HB3 GLU 50 11.972 7.803 2.349 395 HG2 GLU 50 HG2 GLU 50 13.780 7.261 3.548 396 HG3 GLU 50 HG3 GLU 50 12.763 5.947 4.138 397 H ASP 51 H ASP 51 10.755 4.969 4.761 398 HA ASP 51 HA ASP 51 12.064 2.479 4.074 399 HB2 ASP 51 HB2 ASP 51 12.630 3.546 6.189 400 HB3 ASP 51 HB3 ASP 51 10.944 3.489 6.696 401 H GLU 52 H GLU 52 9.021 3.237 5.782 402 HA GLU 52 HA GLU 52 7.880 0.732 5.674 403 HB2 GLU 52 HB2 GLU 52 6.725 3.495 5.753 404 HB3 GLU 52 HB3 GLU 52 5.654 2.112 5.582 405 HG2 GLU 52 HG2 GLU 52 6.701 1.161 7.648 406 HG3 GLU 52 HG3 GLU 52 7.539 2.699 7.848 407 H PHE 53 H PHE 53 7.307 3.393 3.368 408 HA PHE 53 HA PHE 53 5.792 1.836 1.564 409 HB2 PHE 53 HB2 PHE 53 7.393 4.302 0.873 410 HB3 PHE 53 HB3 PHE 53 5.956 3.694 0.058 411 HD1 PHE 53 HD1 PHE 53 4.330 3.058 2.521 412 HD2 PHE 53 HD2 PHE 53 6.659 6.456 1.452 413 HE1 PHE 53 HE1 PHE 53 2.920 4.472 3.957 414 HE2 PHE 53 HE2 PHE 53 5.253 7.876 2.887 415 HZ PHE 53 HZ PHE 53 3.380 6.884 4.141 416 H GLY 54 H GLY 54 9.208 2.289 2.006 417 HA2 GLY 54 HA2 GLY 54 10.978 1.118 1.105 418 HA3 GLY 54 HA3 GLY 54 9.813 0.109 0.260 419 H THR 55 H THR 55 10.757 3.547 0.143 420 HA THR 55 HA THR 55 11.362 3.217 -2.707 421 HB THR 55 HB THR 55 9.047 4.088 -2.540 422 HG1 THR 55 HG1 THR 55 9.396 5.633 -4.083 423 HG21 THR 55 HG21 THR 55 10.346 6.479 -1.228 424 HG22 THR 55 HG22 THR 55 9.305 5.309 -0.417 425 HG23 THR 55 HG23 THR 55 8.651 6.337 -1.692 426 H GLU 56 H GLU 56 12.579 5.073 -3.600 427 HA GLU 56 HA GLU 56 14.465 6.068 -1.597 428 HB2 GLU 56 HB2 GLU 56 15.320 4.837 -3.587 429 HB3 GLU 56 HB3 GLU 56 14.686 6.118 -4.611 430 HG2 GLU 56 HG2 GLU 56 16.152 7.723 -3.407 431 HG3 GLU 56 HG3 GLU 56 16.860 6.357 -2.547 432 H ILE 57 H ILE 57 14.263 8.066 -0.861 433 HA ILE 57 HA ILE 57 12.834 10.043 -2.507 434 HB ILE 57 HB ILE 57 13.342 10.130 0.468 435 HG12 ILE 57 HG12 ILE 57 10.840 9.382 -1.062 436 HG13 ILE 57 HG13 ILE 57 11.839 8.285 -0.115 437 HG21 ILE 57 HG21 ILE 57 12.498 12.191 0.468 438 HG22 ILE 57 HG22 ILE 57 12.702 12.174 -1.283 439 HG23 ILE 57 HG23 ILE 57 11.153 11.720 -0.571 440 HD11 ILE 57 HD11 ILE 57 11.299 9.655 1.894 441 HD12 ILE 57 HD12 ILE 57 10.157 10.558 0.898 442 HD13 ILE 57 HD13 ILE 57 9.919 8.832 1.169 443 H SER 58 H SER 58 14.026 11.542 -3.459 444 HA SER 58 HA SER 58 16.768 11.850 -3.175 445 HB2 SER 58 HB2 SER 58 14.703 13.819 -4.180 446 HB3 SER 58 HB3 SER 58 16.444 14.042 -4.355 447 HG SER 58 HG SER 58 15.693 13.083 -6.214 448 H ASP 59 H ASP 59 17.949 13.801 -2.442 449 HA ASP 59 HA ASP 59 17.200 14.419 0.275 450 HB2 ASP 59 HB2 ASP 59 19.620 14.549 -1.352 451 HB3 ASP 59 HB3 ASP 59 19.424 15.960 -0.316 452 H GLU 60 H GLU 60 17.104 15.979 -2.825 453 HA GLU 60 HA GLU 60 16.693 18.622 -1.734 454 HB2 GLU 60 HB2 GLU 60 16.167 17.786 -4.578 455 HB3 GLU 60 HB3 GLU 60 16.592 19.380 -3.972 456 HG2 GLU 60 HG2 GLU 60 18.416 16.986 -3.968 457 HG3 GLU 60 HG3 GLU 60 18.438 18.282 -5.162 458 H ASP 61 H ASP 61 14.700 16.501 -3.801 459 HA ASP 61 HA ASP 61 12.318 17.891 -3.573 460 HB2 ASP 61 HB2 ASP 61 13.133 15.212 -4.401 461 HB3 ASP 61 HB3 ASP 61 11.514 15.244 -3.706 462 H ALA 62 H ALA 62 13.824 15.674 -1.335 463 HA ALA 62 HA ALA 62 11.651 15.041 0.293 464 HB1 ALA 62 HB1 ALA 62 13.431 14.813 2.105 465 HB2 ALA 62 HB2 ALA 62 13.624 13.830 0.654 466 HB3 ALA 62 HB3 ALA 62 14.588 15.292 0.862 467 H GLU 63 H GLU 63 13.231 18.031 -0.173 468 HA GLU 63 HA GLU 63 12.445 19.138 2.390 469 HB2 GLU 63 HB2 GLU 63 14.501 19.720 0.736 470 HB3 GLU 63 HB3 GLU 63 13.344 20.941 0.224 471 HG2 GLU 63 HG2 GLU 63 14.600 21.994 1.871 472 HG3 GLU 63 HG3 GLU 63 13.118 21.517 2.698 473 H LYS 64 H LYS 64 11.186 18.864 -0.796 474 HA LYS 64 HA LYS 64 9.225 20.990 -0.343 475 HB2 LYS 64 HB2 LYS 64 9.463 19.300 -2.824 476 HB3 LYS 64 HB3 LYS 64 8.732 20.891 -2.654 477 HG2 LYS 64 HG2 LYS 64 11.088 21.700 -2.063 478 HG3 LYS 64 HG3 LYS 64 11.635 20.159 -2.727 479 HD2 LYS 64 HD2 LYS 64 9.869 21.101 -4.633 480 HD3 LYS 64 HD3 LYS 64 10.709 22.556 -4.092 481 HE2 LYS 64 HE2 LYS 64 12.712 21.870 -4.915 482 HE3 LYS 64 HE3 LYS 64 12.375 20.166 -4.613 483 HZ1 LYS 64 HZ1 LYS 64 12.304 20.283 -6.893 484 HZ2 LYS 64 HZ2 LYS 64 11.609 21.825 -6.917 485 HZ3 LYS 64 HZ3 LYS 64 10.667 20.481 -6.511 486 H ILE 65 H ILE 65 9.407 17.517 -1.028 487 HA ILE 65 HA ILE 65 6.580 17.118 -0.894 488 HB ILE 65 HB ILE 65 7.165 14.693 -0.787 489 HG12 ILE 65 HG12 ILE 65 9.966 15.092 -1.476 490 HG13 ILE 65 HG13 ILE 65 9.604 15.638 0.158 491 HG21 ILE 65 HG21 ILE 65 8.614 16.186 -2.967 492 HG22 ILE 65 HG22 ILE 65 7.946 14.557 -3.053 493 HG23 ILE 65 HG23 ILE 65 6.868 15.945 -2.913 494 HD11 ILE 65 HD11 ILE 65 9.614 12.917 -0.977 495 HD12 ILE 65 HD12 ILE 65 10.069 13.485 0.630 496 HD13 ILE 65 HD13 ILE 65 8.367 13.277 0.217 497 H GLU 66 H GLU 66 6.694 18.465 1.250 498 HA GLU 66 HA GLU 66 6.858 16.555 3.488 499 HB2 GLU 66 HB2 GLU 66 7.273 19.548 3.574 500 HB3 GLU 66 HB3 GLU 66 7.332 18.466 4.958 501 HG2 GLU 66 HG2 GLU 66 9.160 17.279 3.417 502 HG3 GLU 66 HG3 GLU 66 9.318 18.932 2.825 503 H THR 67 H THR 67 4.640 17.485 1.583 504 HA THR 67 HA THR 67 2.718 18.325 3.654 505 HB THR 67 HB THR 67 1.619 19.665 2.185 506 HG1 THR 67 HG1 THR 67 1.257 19.133 0.060 507 HG21 THR 67 HG21 THR 67 3.115 20.977 1.009 508 HG22 THR 67 HG22 THR 67 4.050 19.592 0.446 509 HG23 THR 67 HG23 THR 67 4.192 20.131 2.119 510 H VAL 68 H VAL 68 0.495 17.513 3.359 511 HA VAL 68 HA VAL 68 0.311 14.777 3.368 512 HB VAL 68 HB VAL 68 -1.882 16.665 2.498 513 HG11 VAL 68 HG11 VAL 68 -2.069 13.928 3.750 514 HG12 VAL 68 HG12 VAL 68 -3.413 14.953 3.245 515 HG13 VAL 68 HG13 VAL 68 -2.318 14.276 2.039 516 HG21 VAL 68 HG21 VAL 68 -0.994 17.393 4.609 517 HG22 VAL 68 HG22 VAL 68 -2.542 16.597 4.895 518 HG23 VAL 68 HG23 VAL 68 -1.035 15.748 5.243 519 H GLY 69 H GLY 69 -0.393 16.938 0.624 520 HA2 GLY 69 HA2 GLY 69 -0.808 14.702 -1.160 521 HA3 GLY 69 HA3 GLY 69 -0.841 16.406 -1.592 522 H ALA 70 H ALA 70 1.689 17.175 -0.690 523 HA ALA 70 HA ALA 70 3.293 16.512 -2.885 524 HB1 ALA 70 HB1 ALA 70 4.842 17.957 -2.023 525 HB2 ALA 70 HB2 ALA 70 3.403 18.490 -1.152 526 HB3 ALA 70 HB3 ALA 70 4.572 17.432 -0.361 527 H ALA 71 H ALA 71 2.698 14.804 0.006 528 HA ALA 71 HA ALA 71 5.186 13.310 -0.059 529 HB1 ALA 71 HB1 ALA 71 2.760 12.831 1.665 530 HB2 ALA 71 HB2 ALA 71 4.389 12.201 1.911 531 HB3 ALA 71 HB3 ALA 71 4.078 13.928 2.080 532 H VAL 72 H VAL 72 1.762 12.298 -0.041 533 HA VAL 72 HA VAL 72 2.177 9.722 -0.996 534 HB VAL 72 HB VAL 72 0.054 10.347 -0.032 535 HG11 VAL 72 HG11 VAL 72 0.121 12.685 -1.028 536 HG12 VAL 72 HG12 VAL 72 -0.564 11.968 -2.487 537 HG13 VAL 72 HG13 VAL 72 -1.454 11.895 -0.965 538 HG21 VAL 72 HG21 VAL 72 0.216 8.535 -1.802 539 HG22 VAL 72 HG22 VAL 72 -1.393 9.183 -1.487 540 HG23 VAL 72 HG23 VAL 72 -0.499 9.700 -2.917 541 H ASP 73 H ASP 73 1.608 12.725 -2.772 542 HA ASP 73 HA ASP 73 1.336 11.620 -5.334 543 HB2 ASP 73 HB2 ASP 73 0.809 13.984 -4.701 544 HB3 ASP 73 HB3 ASP 73 2.540 14.308 -4.649 545 H TYR 74 H TYR 74 4.113 12.104 -3.339 546 HA TYR 74 HA TYR 74 5.980 11.805 -5.548 547 HB2 TYR 74 HB2 TYR 74 6.485 13.357 -3.685 548 HB3 TYR 74 HB3 TYR 74 6.515 11.991 -2.575 549 HD1 TYR 74 HD2 TYR 74 8.103 13.100 -5.773 550 HD2 TYR 74 HD1 TYR 74 8.561 11.045 -2.076 551 HE1 TYR 74 HE2 TYR 74 10.491 12.765 -6.261 552 HE2 TYR 74 HE1 TYR 74 10.949 10.705 -2.553 553 HH TYR 74 HH TYR 74 12.428 11.977 -5.523 554 H ILE 75 H ILE 75 5.239 10.073 -2.520 555 HA ILE 75 HA ILE 75 6.865 7.853 -2.972 556 HB ILE 75 HB ILE 75 4.226 7.844 -1.504 557 HG12 ILE 75 HG12 ILE 75 5.607 9.646 -0.650 558 HG13 ILE 75 HG13 ILE 75 5.600 8.324 0.512 559 HG21 ILE 75 HG21 ILE 75 6.431 6.201 -0.516 560 HG22 ILE 75 HG22 ILE 75 4.732 5.796 -0.756 561 HG23 ILE 75 HG23 ILE 75 5.853 5.736 -2.116 562 HD11 ILE 75 HD11 ILE 75 7.796 8.877 -1.468 563 HD12 ILE 75 HD12 ILE 75 7.815 9.325 0.238 564 HD13 ILE 75 HD13 ILE 75 7.791 7.624 -0.227 565 H VAL 76 H VAL 76 3.482 8.421 -3.865 566 HA VAL 76 HA VAL 76 3.044 5.848 -4.977 567 HB VAL 76 HB VAL 76 1.605 8.451 -5.507 568 HG11 VAL 76 HG11 VAL 76 -0.258 6.748 -6.128 569 HG12 VAL 76 HG12 VAL 76 0.986 7.148 -7.315 570 HG13 VAL 76 HG13 VAL 76 1.091 5.644 -6.398 571 HG21 VAL 76 HG21 VAL 76 1.612 7.585 -3.149 572 HG22 VAL 76 HG22 VAL 76 0.015 7.749 -3.880 573 HG23 VAL 76 HG23 VAL 76 0.764 6.158 -3.745 574 H SER 77 H SER 77 3.402 9.002 -6.612 575 HA SER 77 HA SER 77 3.573 8.086 -9.207 576 HB2 SER 77 HB2 SER 77 3.417 10.480 -8.542 577 HB3 SER 77 HB3 SER 77 5.113 10.427 -8.058 578 HG SER 77 HG SER 77 5.685 10.053 -10.182 579 H ASN 78 H ASN 78 5.994 8.047 -6.701 580 HA ASN 78 HA ASN 78 8.165 7.414 -8.490 581 HB2 ASN 78 HB2 ASN 78 8.515 8.663 -6.368 582 HB3 ASN 78 HB3 ASN 78 8.055 7.218 -5.472 583 HD21 ASN 78 HD21 ASN 78 10.346 8.003 -4.723 584 HD22 ASN 78 HD22 ASN 78 11.659 7.146 -5.450 585 H SER 79 H SER 79 6.064 5.673 -6.251 586 HA SER 79 HA SER 79 7.267 3.141 -7.143 587 HB2 SER 79 HB2 SER 79 5.433 3.525 -4.773 588 HB3 SER 79 HB3 SER 79 6.454 2.133 -5.132 589 HG SER 79 HG SER 79 7.078 4.206 -3.668 Start of MODEL 5 1 H1 MET 1 H MET 1 2.594 2.202 0.191 2 HA MET 1 HA MET 1 3.505 0.684 -1.539 3 HB2 MET 1 HB2 MET 1 0.854 -0.689 -1.058 4 HB3 MET 1 HB3 MET 1 1.979 -1.096 -2.347 5 HG2 MET 1 HG2 MET 1 3.681 -1.479 -0.469 6 HG3 MET 1 HG3 MET 1 2.282 -1.493 0.602 7 HE1 MET 1 HE1 MET 1 0.612 -4.751 0.132 8 HE2 MET 1 HE2 MET 1 0.798 -3.225 0.997 9 HE3 MET 1 HE3 MET 1 -0.037 -3.263 -0.557 10 H THR 2 H THR 2 -0.042 1.023 -1.624 11 HA THR 2 HA THR 2 0.158 2.405 -4.172 12 HB THR 2 HB THR 2 -1.566 0.650 -3.826 13 HG1 THR 2 HG1 THR 2 -2.968 3.062 -4.195 14 HG21 THR 2 HG21 THR 2 -3.337 2.453 -2.324 15 HG22 THR 2 HG22 THR 2 -1.984 1.802 -1.398 16 HG23 THR 2 HG23 THR 2 -3.118 0.709 -2.191 17 H ARG 3 H ARG 3 -1.461 4.290 -4.456 18 HA ARG 3 HA ARG 3 -0.568 6.462 -2.951 19 HB2 ARG 3 HB2 ARG 3 -2.317 7.752 -4.058 20 HB3 ARG 3 HB3 ARG 3 -1.530 6.673 -5.202 21 HG2 ARG 3 HG2 ARG 3 -3.437 5.073 -4.838 22 HG3 ARG 3 HG3 ARG 3 -4.242 6.366 -3.945 23 HD2 ARG 3 HD2 ARG 3 -3.964 7.808 -5.980 24 HD3 ARG 3 HD3 ARG 3 -3.405 6.373 -6.839 25 HE ARG 3 HE ARG 3 -5.940 5.985 -5.571 26 HH11 ARG 3 HH11 ARG 3 -4.356 7.272 -8.391 27 HH12 ARG 3 HH12 ARG 3 -5.746 7.101 -9.411 28 HH21 ARG 3 HH21 ARG 3 -7.777 5.754 -6.903 29 HH22 ARG 3 HH22 ARG 3 -7.692 6.238 -8.563 30 H GLU 4 H GLU 4 -3.374 4.388 -2.548 31 HA GLU 4 HA GLU 4 -4.732 5.956 -0.637 32 HB2 GLU 4 HB2 GLU 4 -4.796 2.945 -0.853 33 HB3 GLU 4 HB3 GLU 4 -6.035 3.990 -0.172 34 HG2 GLU 4 HG2 GLU 4 -5.888 5.000 -2.659 35 HG3 GLU 4 HG3 GLU 4 -5.449 3.323 -2.976 36 H GLU 5 H GLU 5 -2.853 2.968 -0.101 37 HA GLU 5 HA GLU 5 -2.763 3.036 2.649 38 HB2 GLU 5 HB2 GLU 5 -0.549 2.116 0.807 39 HB3 GLU 5 HB3 GLU 5 -0.741 1.660 2.494 40 HG2 GLU 5 HG2 GLU 5 -3.090 1.124 0.842 41 HG3 GLU 5 HG3 GLU 5 -1.647 0.233 0.362 42 H VAL 6 H VAL 6 -0.553 4.600 0.361 43 HA VAL 6 HA VAL 6 1.248 5.640 2.249 44 HB VAL 6 HB VAL 6 0.507 6.735 -0.468 45 HG11 VAL 6 HG11 VAL 6 1.822 8.466 -0.024 46 HG12 VAL 6 HG12 VAL 6 2.150 7.833 1.591 47 HG13 VAL 6 HG13 VAL 6 3.170 7.358 0.232 48 HG21 VAL 6 HG21 VAL 6 1.554 4.330 -0.038 49 HG22 VAL 6 HG22 VAL 6 2.042 5.335 -1.403 50 HG23 VAL 6 HG23 VAL 6 3.039 5.278 0.051 51 H LEU 7 H LEU 7 -1.506 7.220 0.625 52 HA LEU 7 HA LEU 7 -1.360 9.679 1.897 53 HB2 LEU 7 HB2 LEU 7 -2.821 9.511 0.080 54 HB3 LEU 7 HB3 LEU 7 -3.648 8.111 0.761 55 HG LEU 7 HG LEU 7 -3.878 10.618 2.302 56 HD11 LEU 7 HD11 LEU 7 -5.382 10.279 -0.285 57 HD12 LEU 7 HD12 LEU 7 -4.022 11.380 -0.063 58 HD13 LEU 7 HD13 LEU 7 -5.506 11.614 0.861 59 HD21 LEU 7 HD21 LEU 7 -5.134 8.119 2.166 60 HD22 LEU 7 HD22 LEU 7 -6.319 9.287 1.579 61 HD23 LEU 7 HD23 LEU 7 -5.586 9.497 3.170 62 H GLN 8 H GLN 8 -3.081 6.745 2.906 63 HA GLN 8 HA GLN 8 -4.309 7.803 5.189 64 HB2 GLN 8 HB2 GLN 8 -3.564 5.056 4.286 65 HB3 GLN 8 HB3 GLN 8 -4.077 5.284 5.952 66 HG2 GLN 8 HG2 GLN 8 -6.166 6.304 5.140 67 HG3 GLN 8 HG3 GLN 8 -5.653 5.979 3.485 68 HE21 GLN 8 HE21 GLN 8 -7.870 4.994 5.355 69 HE22 GLN 8 HE22 GLN 8 -7.832 3.279 5.153 70 H LYS 9 H LYS 9 -1.378 5.770 5.047 71 HA LYS 9 HA LYS 9 -0.590 5.909 7.660 72 HB2 LYS 9 HB2 LYS 9 0.680 5.332 5.129 73 HB3 LYS 9 HB3 LYS 9 1.797 6.162 6.204 74 HG2 LYS 9 HG2 LYS 9 1.976 3.742 6.415 75 HG3 LYS 9 HG3 LYS 9 1.425 4.481 7.920 76 HD2 LYS 9 HD2 LYS 9 -0.789 3.758 6.192 77 HD3 LYS 9 HD3 LYS 9 0.229 2.368 6.575 78 HE2 LYS 9 HE2 LYS 9 -0.467 2.316 8.699 79 HE3 LYS 9 HE3 LYS 9 -0.298 4.061 8.885 80 HZ1 LYS 9 HZ1 LYS 9 -2.436 4.423 8.051 81 HZ2 LYS 9 HZ2 LYS 9 -2.616 3.101 9.089 82 HZ3 LYS 9 HZ3 LYS 9 -2.567 2.860 7.416 83 H VAL 10 H VAL 10 0.601 8.112 5.114 84 HA VAL 10 HA VAL 10 2.015 9.865 6.693 85 HB VAL 10 HB VAL 10 0.385 10.501 4.231 86 HG11 VAL 10 HG11 VAL 10 2.515 12.118 5.624 87 HG12 VAL 10 HG12 VAL 10 1.874 12.470 4.018 88 HG13 VAL 10 HG13 VAL 10 0.816 12.547 5.428 89 HG21 VAL 10 HG21 VAL 10 1.944 9.254 3.233 90 HG22 VAL 10 HG22 VAL 10 3.072 10.560 3.596 91 HG23 VAL 10 HG23 VAL 10 2.935 9.184 4.690 92 H ALA 11 H ALA 11 -1.444 9.968 5.904 93 HA ALA 11 HA ALA 11 -2.035 12.367 7.245 94 HB1 ALA 11 HB1 ALA 11 -3.936 10.061 6.886 95 HB2 ALA 11 HB2 ALA 11 -4.322 11.777 7.017 96 HB3 ALA 11 HB3 ALA 11 -3.495 11.166 5.584 97 H LYS 12 H LYS 12 -1.950 9.015 8.344 98 HA LYS 12 HA LYS 12 -3.029 9.553 10.928 99 HB2 LYS 12 HB2 LYS 12 -2.936 7.308 9.682 100 HB3 LYS 12 HB3 LYS 12 -1.270 7.208 10.238 101 HG2 LYS 12 HG2 LYS 12 -2.139 7.476 12.577 102 HG3 LYS 12 HG3 LYS 12 -3.765 7.293 11.913 103 HD2 LYS 12 HD2 LYS 12 -3.514 5.089 12.086 104 HD3 LYS 12 HD3 LYS 12 -2.269 5.184 10.839 105 HE2 LYS 12 HE2 LYS 12 -0.772 5.881 12.907 106 HE3 LYS 12 HE3 LYS 12 -1.999 4.978 13.793 107 HZ1 LYS 12 HZ1 LYS 12 -0.721 3.796 11.417 108 HZ2 LYS 12 HZ2 LYS 12 -1.448 3.021 12.734 109 HZ3 LYS 12 HZ3 LYS 12 0.068 3.751 12.913 110 H ILE 13 H ILE 13 0.271 8.610 9.943 111 HA ILE 13 HA ILE 13 1.559 9.020 12.337 112 HB ILE 13 HB ILE 13 2.686 9.633 9.602 113 HG12 ILE 13 HG12 ILE 13 3.453 7.106 10.818 114 HG13 ILE 13 HG13 ILE 13 1.710 7.213 10.590 115 HG21 ILE 13 HG21 ILE 13 4.205 10.526 11.126 116 HG22 ILE 13 HG22 ILE 13 3.939 9.232 12.293 117 HG23 ILE 13 HG23 ILE 13 4.836 8.910 10.810 118 HD11 ILE 13 HD11 ILE 13 2.214 6.395 8.563 119 HD12 ILE 13 HD12 ILE 13 2.553 8.086 8.193 120 HD13 ILE 13 HD13 ILE 13 3.872 6.994 8.612 121 H ILE 14 H ILE 14 0.694 11.403 9.888 122 HA ILE 14 HA ILE 14 2.068 13.565 11.171 123 HB ILE 14 HB ILE 14 0.010 13.483 8.973 124 HG12 ILE 14 HG12 ILE 14 2.943 14.226 9.000 125 HG13 ILE 14 HG13 ILE 14 2.282 12.699 8.424 126 HG21 ILE 14 HG21 ILE 14 0.529 15.909 8.662 127 HG22 ILE 14 HG22 ILE 14 -0.392 15.536 10.118 128 HG23 ILE 14 HG23 ILE 14 1.335 15.877 10.230 129 HD11 ILE 14 HD11 ILE 14 2.070 15.420 7.206 130 HD12 ILE 14 HD12 ILE 14 2.644 13.915 6.487 131 HD13 ILE 14 HD13 ILE 14 0.923 14.144 6.797 132 H SER 15 H SER 15 -1.267 12.402 11.077 133 HA SER 15 HA SER 15 -2.379 14.559 12.546 134 HB2 SER 15 HB2 SER 15 -4.349 13.119 12.790 135 HB3 SER 15 HB3 SER 15 -3.743 13.064 11.135 136 HG SER 15 HG SER 15 -4.278 10.986 12.137 137 H ASN 16 H ASN 16 -0.594 11.760 13.445 138 HA ASN 16 HA ASN 16 -1.459 11.891 16.226 139 HB2 ASN 16 HB2 ASN 16 0.064 9.953 14.564 140 HB3 ASN 16 HB3 ASN 16 0.464 10.019 16.278 141 HD21 ASN 16 HD21 ASN 16 -2.602 10.378 14.537 142 HD22 ASN 16 HD22 ASN 16 -3.421 9.107 15.372 143 H HIS 17 H HIS 17 1.497 12.296 14.306 144 HA HIS 17 HA HIS 17 3.155 13.003 16.494 145 HB2 HIS 17 HB2 HIS 17 4.025 12.184 14.325 146 HB3 HIS 17 HB3 HIS 17 3.500 13.684 13.566 147 HD1 HIS 17 HD1 HIS 17 6.431 12.188 14.835 148 HD2 HIS 17 HD2 HIS 17 4.807 16.005 15.075 149 HE1 HIS 17 HE1 HIS 17 8.351 13.700 15.429 150 H PHE 18 H PHE 18 1.436 14.937 14.060 151 HA PHE 18 HA PHE 18 2.119 17.381 15.508 152 HB2 PHE 18 HB2 PHE 18 0.667 17.004 12.880 153 HB3 PHE 18 HB3 PHE 18 1.139 18.551 13.575 154 HD1 PHE 18 HD2 PHE 18 2.386 15.435 12.068 155 HD2 PHE 18 HD1 PHE 18 3.365 19.357 13.398 156 HE1 PHE 18 HE2 PHE 18 4.566 15.269 10.940 157 HE2 PHE 18 HE1 PHE 18 5.547 19.199 12.271 158 HZ PHE 18 HZ PHE 18 6.150 17.152 11.041 159 H ASP 19 H ASP 19 0.144 19.046 15.330 160 HA ASP 19 HA ASP 19 -2.027 17.771 16.829 161 HB2 ASP 19 HB2 ASP 19 -1.682 20.740 16.548 162 HB3 ASP 19 HB3 ASP 19 -2.426 19.830 17.860 163 H ILE 20 H ILE 20 -1.618 17.954 13.797 164 HA ILE 20 HA ILE 20 -3.852 19.557 12.916 165 HB ILE 20 HB ILE 20 -1.749 19.147 11.559 166 HG12 ILE 20 HG12 ILE 20 -4.330 18.417 10.166 167 HG13 ILE 20 HG13 ILE 20 -3.925 20.054 10.671 168 HG21 ILE 20 HG21 ILE 20 -1.632 16.721 11.974 169 HG22 ILE 20 HG22 ILE 20 -3.087 16.504 11.002 170 HG23 ILE 20 HG23 ILE 20 -1.611 17.114 10.255 171 HD11 ILE 20 HD11 ILE 20 -2.640 20.379 8.892 172 HD12 ILE 20 HD12 ILE 20 -1.821 18.830 9.098 173 HD13 ILE 20 HD13 ILE 20 -3.359 18.907 8.239 174 H GLU 21 H GLU 21 -5.635 18.647 11.658 175 HA GLU 21 HA GLU 21 -6.685 16.268 12.963 176 HB2 GLU 21 HB2 GLU 21 -7.922 18.541 12.450 177 HB3 GLU 21 HB3 GLU 21 -8.202 17.789 10.885 178 HG2 GLU 21 HG2 GLU 21 -10.095 17.206 12.047 179 HG3 GLU 21 HG3 GLU 21 -9.073 15.789 12.278 180 H ALA 22 H ALA 22 -6.799 14.318 12.055 181 HA ALA 22 HA ALA 22 -5.482 13.680 9.677 182 HB1 ALA 22 HB1 ALA 22 -7.606 11.817 10.468 183 HB2 ALA 22 HB2 ALA 22 -5.876 11.546 10.254 184 HB3 ALA 22 HB3 ALA 22 -6.479 12.247 11.756 185 H ASP 23 H ASP 23 -8.615 14.944 10.185 186 HA ASP 23 HA ASP 23 -9.583 14.052 7.575 187 HB2 ASP 23 HB2 ASP 23 -10.846 14.575 10.026 188 HB3 ASP 23 HB3 ASP 23 -11.358 15.873 8.952 189 H GLN 24 H GLN 24 -8.338 16.859 9.193 190 HA GLN 24 HA GLN 24 -9.185 18.703 7.139 191 HB2 GLN 24 HB2 GLN 24 -7.372 18.999 9.534 192 HB3 GLN 24 HB3 GLN 24 -7.713 20.312 8.415 193 HG2 GLN 24 HG2 GLN 24 -9.807 18.830 9.986 194 HG3 GLN 24 HG3 GLN 24 -9.082 20.360 10.475 195 HE21 GLN 24 HE21 GLN 24 -11.549 18.887 8.744 196 HE22 GLN 24 HE22 GLN 24 -12.144 20.278 7.910 197 H VAL 25 H VAL 25 -6.319 16.874 7.959 198 HA VAL 25 HA VAL 25 -4.340 18.130 6.543 199 HB VAL 25 HB VAL 25 -3.483 15.751 6.042 200 HG11 VAL 25 HG11 VAL 25 -4.036 16.715 8.843 201 HG12 VAL 25 HG12 VAL 25 -2.932 15.395 8.454 202 HG13 VAL 25 HG13 VAL 25 -2.602 17.024 7.864 203 HG21 VAL 25 HG21 VAL 25 -4.599 13.918 6.835 204 HG22 VAL 25 HG22 VAL 25 -5.460 14.836 8.070 205 HG23 VAL 25 HG23 VAL 25 -5.969 14.933 6.384 206 H THR 26 H THR 26 -4.631 19.014 4.585 207 HA THR 26 HA THR 26 -5.471 17.227 2.403 208 HB THR 26 HB THR 26 -7.349 18.706 2.867 209 HG1 THR 26 HG1 THR 26 -7.156 19.924 0.708 210 HG21 THR 26 HG21 THR 26 -5.349 20.931 2.459 211 HG22 THR 26 HG22 THR 26 -6.225 20.551 3.942 212 HG23 THR 26 HG23 THR 26 -7.096 21.158 2.533 213 H ASP 27 H ASP 27 -4.795 18.056 0.236 214 HA ASP 27 HA ASP 27 -2.024 18.567 0.205 215 HB2 ASP 27 HB2 ASP 27 -3.969 18.947 -2.079 216 HB3 ASP 27 HB3 ASP 27 -2.233 18.675 -2.202 217 H GLN 28 H GLN 28 -4.675 20.651 0.560 218 HA GLN 28 HA GLN 28 -3.208 22.980 -0.428 219 HB2 GLN 28 HB2 GLN 28 -6.061 22.492 0.363 220 HB3 GLN 28 HB3 GLN 28 -5.432 24.132 0.277 221 HG2 GLN 28 HG2 GLN 28 -6.237 23.957 -1.827 222 HG3 GLN 28 HG3 GLN 28 -4.624 23.300 -2.102 223 HE21 GLN 28 HE21 GLN 28 -5.177 22.018 -3.812 224 HE22 GLN 28 HE22 GLN 28 -6.194 20.629 -3.668 225 H LEU 29 H LEU 29 -2.899 21.310 2.201 226 HA LEU 29 HA LEU 29 -2.550 23.673 3.907 227 HB2 LEU 29 HB2 LEU 29 -4.193 21.289 4.422 228 HB3 LEU 29 HB3 LEU 29 -3.126 21.760 5.744 229 HG LEU 29 HG LEU 29 -4.161 24.007 5.729 230 HD11 LEU 29 HD11 LEU 29 -5.401 22.938 3.324 231 HD12 LEU 29 HD12 LEU 29 -5.203 24.608 3.852 232 HD13 LEU 29 HD13 LEU 29 -6.563 23.652 4.442 233 HD21 LEU 29 HD21 LEU 29 -4.948 22.159 7.204 234 HD22 LEU 29 HD22 LEU 29 -6.195 21.800 6.010 235 HD23 LEU 29 HD23 LEU 29 -6.185 23.361 6.833 236 H ASN 30 H ASN 30 -0.341 23.394 3.076 237 HA ASN 30 HA ASN 30 1.260 21.167 3.461 238 HB2 ASN 30 HB2 ASN 30 2.140 22.945 2.163 239 HB3 ASN 30 HB3 ASN 30 1.907 24.112 3.461 240 HD21 ASN 30 HD21 ASN 30 4.090 24.717 3.263 241 HD22 ASN 30 HD22 ASN 30 5.353 23.738 3.921 242 H ILE 31 H ILE 31 1.849 20.106 5.225 243 HA ILE 31 HA ILE 31 1.272 21.036 7.840 244 HB ILE 31 HB ILE 31 3.022 18.730 6.975 245 HG12 ILE 31 HG12 ILE 31 0.621 17.803 8.081 246 HG13 ILE 31 HG13 ILE 31 0.152 19.132 7.027 247 HG21 ILE 31 HG21 ILE 31 3.656 18.895 9.145 248 HG22 ILE 31 HG22 ILE 31 2.193 19.753 9.624 249 HG23 ILE 31 HG23 ILE 31 2.154 18.005 9.393 250 HD11 ILE 31 HD11 ILE 31 0.663 17.997 5.160 251 HD12 ILE 31 HD12 ILE 31 2.073 17.224 5.885 252 HD13 ILE 31 HD13 ILE 31 0.458 16.594 6.208 253 H LYS 32 H LYS 32 4.268 20.764 5.973 254 HA LYS 32 HA LYS 32 6.157 21.349 7.869 255 HB2 LYS 32 HB2 LYS 32 6.795 20.826 5.605 256 HB3 LYS 32 HB3 LYS 32 6.008 22.277 4.998 257 HG2 LYS 32 HG2 LYS 32 7.655 23.681 5.886 258 HG3 LYS 32 HG3 LYS 32 8.277 22.420 6.953 259 HD2 LYS 32 HD2 LYS 32 9.323 21.287 5.196 260 HD3 LYS 32 HD3 LYS 32 8.355 22.108 3.969 261 HE2 LYS 32 HE2 LYS 32 9.671 24.157 5.306 262 HE3 LYS 32 HE3 LYS 32 10.878 22.880 5.166 263 HZ1 LYS 32 HZ1 LYS 32 9.816 22.884 2.711 264 HZ2 LYS 32 HZ2 LYS 32 11.193 23.765 3.146 265 HZ3 LYS 32 HZ3 LYS 32 9.682 24.524 3.108 266 H ASP 33 H ASP 33 4.142 23.651 6.076 267 HA ASP 33 HA ASP 33 5.239 25.889 7.563 268 HB2 ASP 33 HB2 ASP 33 4.679 26.073 5.137 269 HB3 ASP 33 HB3 ASP 33 2.979 25.869 5.554 270 H ASP 34 H ASP 34 1.993 24.502 7.052 271 HA ASP 34 HA ASP 34 0.541 25.991 8.825 272 HB2 ASP 34 HB2 ASP 34 -0.464 24.298 7.374 273 HB3 ASP 34 HB3 ASP 34 0.285 23.018 8.325 274 H LEU 35 H LEU 35 2.129 22.896 9.620 275 HA LEU 35 HA LEU 35 1.740 23.332 12.445 276 HB2 LEU 35 HB2 LEU 35 2.980 21.179 10.781 277 HB3 LEU 35 HB3 LEU 35 3.265 21.228 12.519 278 HG LEU 35 HG LEU 35 1.482 19.669 11.966 279 HD11 LEU 35 HD11 LEU 35 1.443 21.037 14.074 280 HD12 LEU 35 HD12 LEU 35 -0.117 20.401 13.555 281 HD13 LEU 35 HD13 LEU 35 0.280 22.097 13.276 282 HD21 LEU 35 HD21 LEU 35 -0.406 21.785 11.164 283 HD22 LEU 35 HD22 LEU 35 -0.271 20.113 10.619 284 HD23 LEU 35 HD23 LEU 35 0.812 21.344 9.968 285 H ASN 36 H ASN 36 4.115 24.112 10.125 286 HA ASN 36 HA ASN 36 6.101 25.214 10.274 287 HB2 ASN 36 HB2 ASN 36 4.673 26.229 12.335 288 HB3 ASN 36 HB3 ASN 36 6.023 25.523 13.218 289 HD21 ASN 36 HD21 ASN 36 7.917 26.560 13.251 290 HD22 ASN 36 HD22 ASN 36 8.270 28.001 12.366 291 H ALA 37 H ALA 37 5.906 22.331 10.611 292 HA ALA 37 HA ALA 37 7.440 21.189 12.567 293 HB1 ALA 37 HB1 ALA 37 7.790 20.328 9.720 294 HB2 ALA 37 HB2 ALA 37 7.695 19.343 11.181 295 HB3 ALA 37 HB3 ALA 37 6.245 20.119 10.545 296 H ASP 38 H ASP 38 9.554 21.061 13.090 297 HA ASP 38 HA ASP 38 11.359 23.006 12.181 298 HB2 ASP 38 HB2 ASP 38 11.341 20.878 14.129 299 HB3 ASP 38 HB3 ASP 38 12.884 20.912 13.280 300 H SER 39 H SER 39 13.723 22.130 11.561 301 HA SER 39 HA SER 39 13.385 21.013 8.915 302 HB2 SER 39 HB2 SER 39 15.855 21.458 8.729 303 HB3 SER 39 HB3 SER 39 14.887 22.882 9.112 304 HG SER 39 HG SER 39 16.947 22.111 10.417 305 H ILE 40 H ILE 40 15.274 20.191 11.820 306 HA ILE 40 HA ILE 40 16.455 17.857 10.960 307 HB ILE 40 HB ILE 40 15.359 18.402 13.721 308 HG12 ILE 40 HG12 ILE 40 16.898 20.146 13.005 309 HG13 ILE 40 HG13 ILE 40 17.673 19.133 14.219 310 HG21 ILE 40 HG21 ILE 40 16.551 16.072 12.628 311 HG22 ILE 40 HG22 ILE 40 17.703 16.803 13.744 312 HG23 ILE 40 HG23 ILE 40 16.082 16.387 14.299 313 HD11 ILE 40 HD11 ILE 40 18.119 19.033 11.246 314 HD12 ILE 40 HD12 ILE 40 19.234 19.645 12.469 315 HD13 ILE 40 HD13 ILE 40 18.839 17.927 12.415 316 H SER 41 H SER 41 13.235 18.261 12.399 317 HA SER 41 HA SER 41 12.456 15.627 12.607 318 HB2 SER 41 HB2 SER 41 11.215 18.006 13.011 319 HB3 SER 41 HB3 SER 41 10.380 17.455 11.559 320 HG SER 41 HG SER 41 9.645 16.781 13.828 321 H VAL 42 H VAL 42 12.613 17.656 9.749 322 HA VAL 42 HA VAL 42 11.125 16.117 7.968 323 HB VAL 42 HB VAL 42 13.629 17.663 7.291 324 HG11 VAL 42 HG11 VAL 42 11.537 16.331 5.723 325 HG12 VAL 42 HG12 VAL 42 11.909 17.979 5.214 326 HG13 VAL 42 HG13 VAL 42 13.187 16.765 5.279 327 HG21 VAL 42 HG21 VAL 42 12.567 19.528 7.859 328 HG22 VAL 42 HG22 VAL 42 11.280 19.139 6.718 329 HG23 VAL 42 HG23 VAL 42 11.172 18.589 8.390 330 H MET 43 H MET 43 14.490 15.809 8.987 331 HA MET 43 HA MET 43 15.286 13.867 7.123 332 HB2 MET 43 HB2 MET 43 16.460 15.215 9.263 333 HB3 MET 43 HB3 MET 43 16.538 13.519 9.720 334 HG2 MET 43 HG2 MET 43 18.205 13.146 8.316 335 HG3 MET 43 HG3 MET 43 17.310 13.854 6.974 336 HE1 MET 43 HE1 MET 43 18.678 16.809 6.056 337 HE2 MET 43 HE2 MET 43 17.154 15.964 6.327 338 HE3 MET 43 HE3 MET 43 17.568 17.374 7.304 339 H GLU 44 H GLU 44 13.350 13.657 9.982 340 HA GLU 44 HA GLU 44 13.623 10.779 10.202 341 HB2 GLU 44 HB2 GLU 44 11.728 12.626 11.662 342 HB3 GLU 44 HB3 GLU 44 12.105 10.962 12.086 343 HG2 GLU 44 HG2 GLU 44 14.514 12.511 11.927 344 HG3 GLU 44 HG3 GLU 44 13.354 13.287 13.002 345 H PHE 45 H PHE 45 10.991 13.076 9.501 346 HA PHE 45 HA PHE 45 9.020 11.205 8.892 347 HB2 PHE 45 HB2 PHE 45 9.377 13.955 7.683 348 HB3 PHE 45 HB3 PHE 45 7.886 13.019 7.702 349 HD1 PHE 45 HD1 PHE 45 7.659 12.030 10.374 350 HD2 PHE 45 HD2 PHE 45 9.126 15.794 9.032 351 HE1 PHE 45 HE1 PHE 45 7.056 13.033 12.538 352 HE2 PHE 45 HE2 PHE 45 8.527 16.802 11.194 353 HZ PHE 45 HZ PHE 45 7.491 15.422 12.951 354 H VAL 46 H VAL 46 11.429 12.733 6.793 355 HA VAL 46 HA VAL 46 10.530 11.602 4.371 356 HB VAL 46 HB VAL 46 12.119 13.533 4.570 357 HG11 VAL 46 HG11 VAL 46 13.552 12.156 6.261 358 HG12 VAL 46 HG12 VAL 46 14.344 11.555 4.803 359 HG13 VAL 46 HG13 VAL 46 14.334 13.284 5.154 360 HG21 VAL 46 HG21 VAL 46 11.775 12.494 2.431 361 HG22 VAL 46 HG22 VAL 46 13.492 12.857 2.609 362 HG23 VAL 46 HG23 VAL 46 12.913 11.205 2.824 363 H LEU 47 H LEU 47 12.299 10.292 7.012 364 HA LEU 47 HA LEU 47 13.491 8.136 5.512 365 HB2 LEU 47 HB2 LEU 47 14.301 9.262 7.718 366 HB3 LEU 47 HB3 LEU 47 13.187 8.131 8.485 367 HG LEU 47 HG LEU 47 14.549 6.382 7.028 368 HD11 LEU 47 HD11 LEU 47 15.942 8.670 6.421 369 HD12 LEU 47 HD12 LEU 47 16.537 7.020 6.246 370 HD13 LEU 47 HD13 LEU 47 16.912 7.942 7.702 371 HD21 LEU 47 HD21 LEU 47 16.260 6.648 9.150 372 HD22 LEU 47 HD22 LEU 47 14.722 5.785 9.176 373 HD23 LEU 47 HD23 LEU 47 14.805 7.458 9.730 374 H GLU 48 H GLU 48 10.949 8.379 7.999 375 HA GLU 48 HA GLU 48 10.156 5.711 7.980 376 HB2 GLU 48 HB2 GLU 48 7.919 6.639 8.770 377 HB3 GLU 48 HB3 GLU 48 9.331 7.063 9.727 378 HG2 GLU 48 HG2 GLU 48 9.400 9.255 8.778 379 HG3 GLU 48 HG3 GLU 48 8.137 8.844 7.619 380 H LEU 49 H LEU 49 9.129 8.404 5.939 381 HA LEU 49 HA LEU 49 7.069 7.003 4.590 382 HB2 LEU 49 HB2 LEU 49 8.687 9.361 3.637 383 HB3 LEU 49 HB3 LEU 49 7.145 8.821 2.976 384 HG LEU 49 HG LEU 49 7.310 9.624 5.849 385 HD11 LEU 49 HD11 LEU 49 7.410 11.843 5.467 386 HD12 LEU 49 HD12 LEU 49 6.580 11.725 3.916 387 HD13 LEU 49 HD13 LEU 49 8.296 11.338 4.028 388 HD21 LEU 49 HD21 LEU 49 5.278 8.572 4.886 389 HD22 LEU 49 HD22 LEU 49 5.145 9.934 3.773 390 HD23 LEU 49 HD23 LEU 49 5.002 10.198 5.511 391 H GLU 50 H GLU 50 10.323 7.944 3.460 392 HA GLU 50 HA GLU 50 10.268 6.467 1.089 393 HB2 GLU 50 HB2 GLU 50 12.511 6.997 0.853 394 HB3 GLU 50 HB3 GLU 50 11.950 8.266 1.932 395 HG2 GLU 50 HG2 GLU 50 13.755 7.695 3.126 396 HG3 GLU 50 HG3 GLU 50 12.705 6.417 3.733 397 H ASP 51 H ASP 51 10.687 5.457 4.345 398 HA ASP 51 HA ASP 51 11.956 2.944 3.665 399 HB2 ASP 51 HB2 ASP 51 12.532 4.012 5.779 400 HB3 ASP 51 HB3 ASP 51 10.845 3.971 6.285 401 H GLU 52 H GLU 52 8.924 3.753 5.369 402 HA GLU 52 HA GLU 52 7.740 1.270 5.270 403 HB2 GLU 52 HB2 GLU 52 6.963 3.551 6.328 404 HB3 GLU 52 HB3 GLU 52 6.044 3.694 4.836 405 HG2 GLU 52 HG2 GLU 52 4.483 2.661 6.098 406 HG3 GLU 52 HG3 GLU 52 5.318 1.230 5.496 407 H PHE 53 H PHE 53 7.197 3.922 2.946 408 HA PHE 53 HA PHE 53 5.682 2.363 1.145 409 HB2 PHE 53 HB2 PHE 53 7.296 4.809 0.419 410 HB3 PHE 53 HB3 PHE 53 5.830 4.216 -0.354 411 HD1 PHE 53 HD1 PHE 53 4.253 3.628 2.149 412 HD2 PHE 53 HD2 PHE 53 6.613 6.978 0.998 413 HE1 PHE 53 HE1 PHE 53 2.900 5.077 3.606 414 HE2 PHE 53 HE2 PHE 53 5.264 8.433 2.454 415 HZ PHE 53 HZ PHE 53 3.404 7.483 3.760 416 H GLY 54 H GLY 54 9.099 2.805 1.595 417 HA2 GLY 54 HA2 GLY 54 10.867 1.626 0.703 418 HA3 GLY 54 HA3 GLY 54 9.702 0.614 -0.137 419 H THR 55 H THR 55 10.655 4.050 -0.275 420 HA THR 55 HA THR 55 11.254 3.698 -3.125 421 HB THR 55 HB THR 55 8.967 4.582 -3.019 422 HG1 THR 55 HG1 THR 55 9.558 5.668 -4.725 423 HG21 THR 55 HG21 THR 55 9.387 5.753 -0.781 424 HG22 THR 55 HG22 THR 55 8.389 6.601 -1.962 425 HG23 THR 55 HG23 THR 55 10.076 7.065 -1.736 426 H GLU 56 H GLU 56 12.460 5.571 -4.031 427 HA GLU 56 HA GLU 56 14.369 6.550 -2.037 428 HB2 GLU 56 HB2 GLU 56 15.150 5.289 -4.077 429 HB3 GLU 56 HB3 GLU 56 14.617 6.657 -5.044 430 HG2 GLU 56 HG2 GLU 56 16.398 7.894 -4.505 431 HG3 GLU 56 HG3 GLU 56 16.376 7.374 -2.821 432 H ILE 57 H ILE 57 14.204 8.560 -1.323 433 HA ILE 57 HA ILE 57 12.783 10.536 -2.979 434 HB ILE 57 HB ILE 57 13.296 10.693 -0.010 435 HG12 ILE 57 HG12 ILE 57 10.809 9.795 -1.481 436 HG13 ILE 57 HG13 ILE 57 11.864 8.767 -0.518 437 HG21 ILE 57 HG21 ILE 57 12.114 12.631 0.009 438 HG22 ILE 57 HG22 ILE 57 12.744 12.728 -1.634 439 HG23 ILE 57 HG23 ILE 57 11.100 12.156 -1.353 440 HD11 ILE 57 HD11 ILE 57 9.943 9.277 0.781 441 HD12 ILE 57 HD12 ILE 57 11.299 10.181 1.457 442 HD13 ILE 57 HD13 ILE 57 10.105 11.002 0.451 443 H SER 58 H SER 58 13.964 12.063 -3.903 444 HA SER 58 HA SER 58 16.712 12.338 -3.652 445 HB2 SER 58 HB2 SER 58 14.603 13.650 -5.082 446 HB3 SER 58 HB3 SER 58 15.686 14.871 -4.414 447 HG SER 58 HG SER 58 16.086 13.522 -6.571 448 H ASP 59 H ASP 59 17.808 14.473 -3.022 449 HA ASP 59 HA ASP 59 17.268 14.912 -0.224 450 HB2 ASP 59 HB2 ASP 59 19.576 14.764 -1.470 451 HB3 ASP 59 HB3 ASP 59 19.304 16.480 -1.762 452 H GLU 60 H GLU 60 17.389 16.952 -3.139 453 HA GLU 60 HA GLU 60 16.493 19.299 -1.815 454 HB2 GLU 60 HB2 GLU 60 16.125 20.167 -4.120 455 HB3 GLU 60 HB3 GLU 60 17.733 19.504 -3.867 456 HG2 GLU 60 HG2 GLU 60 16.498 17.321 -4.805 457 HG3 GLU 60 HG3 GLU 60 15.546 18.569 -5.608 458 H ASP 61 H ASP 61 14.856 16.905 -3.864 459 HA ASP 61 HA ASP 61 12.328 18.068 -3.914 460 HB2 ASP 61 HB2 ASP 61 13.473 15.681 -4.809 461 HB3 ASP 61 HB3 ASP 61 12.171 15.177 -3.735 462 H ALA 62 H ALA 62 13.704 15.769 -1.586 463 HA ALA 62 HA ALA 62 11.435 15.407 0.000 464 HB1 ALA 62 HB1 ALA 62 13.512 14.055 0.128 465 HB2 ALA 62 HB2 ALA 62 14.293 15.403 0.956 466 HB3 ALA 62 HB3 ALA 62 12.918 14.588 1.701 467 H GLU 63 H GLU 63 13.399 18.162 -0.402 468 HA GLU 63 HA GLU 63 12.787 19.315 2.185 469 HB2 GLU 63 HB2 GLU 63 14.721 19.772 0.158 470 HB3 GLU 63 HB3 GLU 63 13.791 21.254 0.336 471 HG2 GLU 63 HG2 GLU 63 15.301 21.684 1.938 472 HG3 GLU 63 HG3 GLU 63 14.231 20.685 2.920 473 H LYS 64 H LYS 64 11.335 19.126 -0.881 474 HA LYS 64 HA LYS 64 9.651 21.476 -0.336 475 HB2 LYS 64 HB2 LYS 64 9.692 19.987 -2.944 476 HB3 LYS 64 HB3 LYS 64 9.217 21.652 -2.633 477 HG2 LYS 64 HG2 LYS 64 12.031 20.592 -2.463 478 HG3 LYS 64 HG3 LYS 64 11.353 21.481 -3.829 479 HD2 LYS 64 HD2 LYS 64 11.444 23.471 -2.750 480 HD3 LYS 64 HD3 LYS 64 11.077 22.756 -1.178 481 HE2 LYS 64 HE2 LYS 64 13.233 23.051 -0.690 482 HE3 LYS 64 HE3 LYS 64 13.560 21.720 -1.798 483 HZ1 LYS 64 HZ1 LYS 64 13.541 23.572 -3.572 484 HZ2 LYS 64 HZ2 LYS 64 14.910 23.388 -2.596 485 HZ3 LYS 64 HZ3 LYS 64 13.796 24.617 -2.266 486 H ILE 65 H ILE 65 9.503 18.081 -1.365 487 HA ILE 65 HA ILE 65 6.662 17.924 -1.245 488 HB ILE 65 HB ILE 65 7.032 15.450 -1.317 489 HG12 ILE 65 HG12 ILE 65 9.857 15.660 -1.991 490 HG13 ILE 65 HG13 ILE 65 9.544 16.116 -0.320 491 HG21 ILE 65 HG21 ILE 65 7.826 15.422 -3.591 492 HG22 ILE 65 HG22 ILE 65 6.831 16.856 -3.342 493 HG23 ILE 65 HG23 ILE 65 8.588 16.999 -3.382 494 HD11 ILE 65 HD11 ILE 65 8.071 13.780 -0.765 495 HD12 ILE 65 HD12 ILE 65 9.651 13.516 -1.502 496 HD13 ILE 65 HD13 ILE 65 9.536 13.970 0.198 497 H GLU 66 H GLU 66 6.531 18.987 0.922 498 HA GLU 66 HA GLU 66 6.773 16.979 3.067 499 HB2 GLU 66 HB2 GLU 66 7.048 19.983 3.215 500 HB3 GLU 66 HB3 GLU 66 6.912 18.947 4.629 501 HG2 GLU 66 HG2 GLU 66 9.044 18.471 2.588 502 HG3 GLU 66 HG3 GLU 66 9.245 19.695 3.840 503 H THR 67 H THR 67 4.662 18.756 1.183 504 HA THR 67 HA THR 67 2.582 19.045 3.186 505 HB THR 67 HB THR 67 1.404 20.301 1.666 506 HG1 THR 67 HG1 THR 67 1.272 19.842 -0.474 507 HG21 THR 67 HG21 THR 67 2.865 21.831 0.688 508 HG22 THR 67 HG22 THR 67 4.045 20.587 0.275 509 HG23 THR 67 HG23 THR 67 3.850 21.097 1.952 510 H VAL 68 H VAL 68 0.457 18.095 2.917 511 HA VAL 68 HA VAL 68 0.422 15.356 2.750 512 HB VAL 68 HB VAL 68 -1.912 17.139 2.044 513 HG11 VAL 68 HG11 VAL 68 -1.816 14.346 3.181 514 HG12 VAL 68 HG12 VAL 68 -3.275 15.293 2.880 515 HG13 VAL 68 HG13 VAL 68 -2.264 14.776 1.531 516 HG21 VAL 68 HG21 VAL 68 -0.833 16.264 4.716 517 HG22 VAL 68 HG22 VAL 68 -1.057 17.911 4.126 518 HG23 VAL 68 HG23 VAL 68 -2.460 16.905 4.487 519 H GLY 69 H GLY 69 -0.323 17.680 0.169 520 HA2 GLY 69 HA2 GLY 69 -0.835 15.595 -1.757 521 HA3 GLY 69 HA3 GLY 69 -0.768 17.322 -2.077 522 H ALA 70 H ALA 70 1.766 17.961 -1.232 523 HA ALA 70 HA ALA 70 3.334 17.258 -3.440 524 HB1 ALA 70 HB1 ALA 70 3.537 19.248 -1.791 525 HB2 ALA 70 HB2 ALA 70 4.577 18.157 -0.873 526 HB3 ALA 70 HB3 ALA 70 4.995 18.587 -2.532 527 H ALA 71 H ALA 71 2.707 15.559 -0.549 528 HA ALA 71 HA ALA 71 5.143 13.984 -0.641 529 HB1 ALA 71 HB1 ALA 71 4.361 14.441 1.543 530 HB2 ALA 71 HB2 ALA 71 2.724 13.918 1.146 531 HB3 ALA 71 HB3 ALA 71 4.027 12.734 1.250 532 H VAL 72 H VAL 72 1.691 13.075 -0.593 533 HA VAL 72 HA VAL 72 2.012 10.494 -1.563 534 HB VAL 72 HB VAL 72 -0.084 11.225 -0.584 535 HG11 VAL 72 HG11 VAL 72 0.089 13.525 -1.735 536 HG12 VAL 72 HG12 VAL 72 -0.746 12.745 -3.080 537 HG13 VAL 72 HG13 VAL 72 -1.511 12.823 -1.492 538 HG21 VAL 72 HG21 VAL 72 0.146 9.460 -2.564 539 HG22 VAL 72 HG22 VAL 72 -1.407 9.849 -1.823 540 HG23 VAL 72 HG23 VAL 72 -0.947 10.600 -3.351 541 H ASP 73 H ASP 73 1.612 13.527 -3.318 542 HA ASP 73 HA ASP 73 1.290 12.416 -5.889 543 HB2 ASP 73 HB2 ASP 73 0.724 14.747 -5.387 544 HB3 ASP 73 HB3 ASP 73 2.424 15.105 -5.090 545 H TYR 74 H TYR 74 4.067 12.914 -3.889 546 HA TYR 74 HA TYR 74 5.934 12.572 -6.092 547 HB2 TYR 74 HB2 TYR 74 6.436 14.156 -4.251 548 HB3 TYR 74 HB3 TYR 74 6.476 12.804 -3.125 549 HD1 TYR 74 HD2 TYR 74 8.081 14.016 -6.266 550 HD2 TYR 74 HD1 TYR 74 8.492 11.732 -2.700 551 HE1 TYR 74 HE2 TYR 74 10.467 13.683 -6.761 552 HE2 TYR 74 HE1 TYR 74 10.879 11.393 -3.184 553 HH TYR 74 HH TYR 74 12.445 12.990 -5.910 554 H ILE 75 H ILE 75 5.140 10.887 -3.055 555 HA ILE 75 HA ILE 75 6.778 8.661 -3.436 556 HB ILE 75 HB ILE 75 4.111 8.709 -2.020 557 HG12 ILE 75 HG12 ILE 75 5.570 10.468 -1.169 558 HG13 ILE 75 HG13 ILE 75 5.441 9.169 0.012 559 HG21 ILE 75 HG21 ILE 75 4.515 6.629 -1.325 560 HG22 ILE 75 HG22 ILE 75 5.737 6.559 -2.594 561 HG23 ILE 75 HG23 ILE 75 6.199 6.996 -0.949 562 HD11 ILE 75 HD11 ILE 75 7.768 10.193 -1.404 563 HD12 ILE 75 HD12 ILE 75 7.660 9.293 0.110 564 HD13 ILE 75 HD13 ILE 75 7.643 8.434 -1.430 565 H VAL 76 H VAL 76 3.440 9.247 -4.457 566 HA VAL 76 HA VAL 76 3.036 6.644 -5.542 567 HB VAL 76 HB VAL 76 1.575 9.236 -6.059 568 HG11 VAL 76 HG11 VAL 76 1.146 7.889 -7.947 569 HG12 VAL 76 HG12 VAL 76 1.004 6.427 -6.968 570 HG13 VAL 76 HG13 VAL 76 -0.243 7.673 -6.883 571 HG21 VAL 76 HG21 VAL 76 -0.074 8.409 -4.528 572 HG22 VAL 76 HG22 VAL 76 0.762 6.863 -4.385 573 HG23 VAL 76 HG23 VAL 76 1.500 8.329 -3.738 574 H SER 77 H SER 77 3.400 9.801 -7.169 575 HA SER 77 HA SER 77 3.612 8.893 -9.764 576 HB2 SER 77 HB2 SER 77 3.452 11.288 -9.069 577 HB3 SER 77 HB3 SER 77 5.152 11.227 -8.603 578 HG SER 77 HG SER 77 5.445 11.789 -10.613 579 H ASN 78 H ASN 78 5.997 8.851 -7.223 580 HA ASN 78 HA ASN 78 8.160 8.150 -9.021 581 HB2 ASN 78 HB2 ASN 78 8.599 9.550 -7.039 582 HB3 ASN 78 HB3 ASN 78 8.083 8.228 -5.996 583 HD21 ASN 78 HD21 ASN 78 10.281 8.663 -5.131 584 HD22 ASN 78 HD22 ASN 78 11.604 7.808 -5.841 585 H SER 79 H SER 79 5.966 6.574 -6.793 586 HA SER 79 HA SER 79 5.490 4.385 -6.399 587 HB2 SER 79 HB2 SER 79 5.769 4.511 -9.063 588 HB3 SER 79 HB3 SER 79 7.103 3.415 -8.702 589 HG SER 79 HG SER 79 5.541 1.989 -8.750 Start of MODEL 6 1 H1 MET 1 H MET 1 1.085 0.588 0.474 2 HA MET 1 HA MET 1 3.205 0.442 -1.400 3 HB2 MET 1 HB2 MET 1 0.447 -0.775 -1.611 4 HB3 MET 1 HB3 MET 1 1.882 -1.279 -2.493 5 HG2 MET 1 HG2 MET 1 2.721 -1.468 0.091 6 HG3 MET 1 HG3 MET 1 1.021 -1.913 0.223 7 HE1 MET 1 HE1 MET 1 4.223 -3.232 0.241 8 HE2 MET 1 HE2 MET 1 3.018 -4.219 1.068 9 HE3 MET 1 HE3 MET 1 3.977 -4.911 -0.242 10 H THR 2 H THR 2 -0.245 1.140 -1.997 11 HA THR 2 HA THR 2 0.443 2.448 -4.497 12 HB THR 2 HB THR 2 -1.532 0.935 -4.342 13 HG1 THR 2 HG1 THR 2 -2.075 2.139 -5.989 14 HG21 THR 2 HG21 THR 2 -3.262 1.268 -2.932 15 HG22 THR 2 HG22 THR 2 -3.204 3.021 -3.113 16 HG23 THR 2 HG23 THR 2 -2.092 2.211 -2.011 17 H ARG 3 H ARG 3 -0.932 4.514 -4.960 18 HA ARG 3 HA ARG 3 0.079 6.585 -3.379 19 HB2 ARG 3 HB2 ARG 3 -1.498 8.042 -4.636 20 HB3 ARG 3 HB3 ARG 3 -0.547 6.986 -5.671 21 HG2 ARG 3 HG2 ARG 3 -2.508 5.427 -5.726 22 HG3 ARG 3 HG3 ARG 3 -3.435 6.680 -4.899 23 HD2 ARG 3 HD2 ARG 3 -2.221 8.010 -7.006 24 HD3 ARG 3 HD3 ARG 3 -2.690 6.455 -7.693 25 HE ARG 3 HE ARG 3 -4.878 7.104 -7.562 26 HH11 ARG 3 HH11 ARG 3 -2.960 9.172 -5.521 27 HH12 ARG 3 HH12 ARG 3 -4.266 10.255 -5.169 28 HH21 ARG 3 HH21 ARG 3 -6.605 8.523 -7.106 29 HH22 ARG 3 HH22 ARG 3 -6.339 9.884 -6.070 30 H GLU 4 H GLU 4 -3.044 4.950 -3.325 31 HA GLU 4 HA GLU 4 -4.357 6.689 -1.548 32 HB2 GLU 4 HB2 GLU 4 -4.866 4.141 -2.776 33 HB3 GLU 4 HB3 GLU 4 -5.314 4.074 -1.078 34 HG2 GLU 4 HG2 GLU 4 -6.610 6.211 -1.477 35 HG3 GLU 4 HG3 GLU 4 -6.356 5.923 -3.198 36 H GLU 5 H GLU 5 -2.976 3.476 -0.825 37 HA GLU 5 HA GLU 5 -3.178 3.552 1.916 38 HB2 GLU 5 HB2 GLU 5 -2.072 1.828 0.087 39 HB3 GLU 5 HB3 GLU 5 -0.661 2.369 0.985 40 HG2 GLU 5 HG2 GLU 5 -2.667 1.786 2.877 41 HG3 GLU 5 HG3 GLU 5 -2.636 0.455 1.722 42 H VAL 6 H VAL 6 -0.485 4.727 -0.080 43 HA VAL 6 HA VAL 6 1.164 5.573 2.030 44 HB VAL 6 HB VAL 6 0.989 6.650 -0.787 45 HG11 VAL 6 HG11 VAL 6 2.478 8.184 -0.193 46 HG12 VAL 6 HG12 VAL 6 2.465 7.584 1.467 47 HG13 VAL 6 HG13 VAL 6 3.589 6.903 0.290 48 HG21 VAL 6 HG21 VAL 6 3.240 4.942 -0.007 49 HG22 VAL 6 HG22 VAL 6 1.674 4.130 -0.016 50 HG23 VAL 6 HG23 VAL 6 2.261 4.930 -1.474 51 H LEU 7 H LEU 7 -1.016 7.494 -0.040 52 HA LEU 7 HA LEU 7 -0.705 9.946 1.189 53 HB2 LEU 7 HB2 LEU 7 -1.912 9.903 -0.814 54 HB3 LEU 7 HB3 LEU 7 -3.027 8.675 -0.217 55 HG LEU 7 HG LEU 7 -3.122 11.204 1.264 56 HD11 LEU 7 HD11 LEU 7 -2.662 12.024 -1.023 57 HD12 LEU 7 HD12 LEU 7 -4.267 12.461 -0.438 58 HD13 LEU 7 HD13 LEU 7 -4.079 11.141 -1.593 59 HD21 LEU 7 HD21 LEU 7 -5.163 10.443 1.708 60 HD22 LEU 7 HD22 LEU 7 -4.724 8.971 0.839 61 HD23 LEU 7 HD23 LEU 7 -5.548 10.283 -0.006 62 H GLN 8 H GLN 8 -2.977 7.348 2.014 63 HA GLN 8 HA GLN 8 -4.328 8.678 4.074 64 HB2 GLN 8 HB2 GLN 8 -3.901 5.819 3.337 65 HB3 GLN 8 HB3 GLN 8 -4.569 6.179 4.924 66 HG2 GLN 8 HG2 GLN 8 -6.407 7.386 3.908 67 HG3 GLN 8 HG3 GLN 8 -5.722 7.115 2.306 68 HE21 GLN 8 HE21 GLN 8 -6.624 5.241 5.184 69 HE22 GLN 8 HE22 GLN 8 -7.376 3.950 4.317 70 H LYS 9 H LYS 9 -1.746 6.234 4.400 71 HA LYS 9 HA LYS 9 -1.312 6.378 7.095 72 HB2 LYS 9 HB2 LYS 9 0.232 5.553 4.771 73 HB3 LYS 9 HB3 LYS 9 1.260 6.176 6.055 74 HG2 LYS 9 HG2 LYS 9 0.998 3.773 6.240 75 HG3 LYS 9 HG3 LYS 9 0.270 4.591 7.625 76 HD2 LYS 9 HD2 LYS 9 -1.603 4.205 5.429 77 HD3 LYS 9 HD3 LYS 9 -0.941 2.685 6.037 78 HE2 LYS 9 HE2 LYS 9 -2.103 2.827 7.942 79 HE3 LYS 9 HE3 LYS 9 -1.689 4.526 8.165 80 HZ1 LYS 9 HZ1 LYS 9 -3.992 4.492 7.898 81 HZ2 LYS 9 HZ2 LYS 9 -3.937 3.375 6.629 82 HZ3 LYS 9 HZ3 LYS 9 -3.416 4.965 6.379 83 H VAL 10 H VAL 10 0.530 8.259 4.683 84 HA VAL 10 HA VAL 10 1.977 9.854 6.391 85 HB VAL 10 HB VAL 10 0.790 10.607 3.718 86 HG11 VAL 10 HG11 VAL 10 2.930 11.974 5.344 87 HG12 VAL 10 HG12 VAL 10 2.561 12.339 3.657 88 HG13 VAL 10 HG13 VAL 10 1.351 12.626 4.908 89 HG21 VAL 10 HG21 VAL 10 3.495 10.267 3.412 90 HG22 VAL 10 HG22 VAL 10 3.075 9.001 4.566 91 HG23 VAL 10 HG23 VAL 10 2.259 9.077 3.004 92 H ALA 11 H ALA 11 -1.290 10.451 5.132 93 HA ALA 11 HA ALA 11 -1.667 12.956 6.357 94 HB1 ALA 11 HB1 ALA 11 -3.334 12.750 4.877 95 HB2 ALA 11 HB2 ALA 11 -3.329 10.989 4.973 96 HB3 ALA 11 HB3 ALA 11 -4.193 11.935 6.184 97 H LYS 12 H LYS 12 -2.182 9.669 7.492 98 HA LYS 12 HA LYS 12 -3.567 10.424 9.876 99 HB2 LYS 12 HB2 LYS 12 -3.039 8.035 8.520 100 HB3 LYS 12 HB3 LYS 12 -2.208 7.871 10.061 101 HG2 LYS 12 HG2 LYS 12 -4.547 8.791 10.950 102 HG3 LYS 12 HG3 LYS 12 -5.099 8.013 9.465 103 HD2 LYS 12 HD2 LYS 12 -5.255 6.356 11.130 104 HD3 LYS 12 HD3 LYS 12 -3.785 5.973 10.232 105 HE2 LYS 12 HE2 LYS 12 -2.403 6.631 11.953 106 HE3 LYS 12 HE3 LYS 12 -3.607 7.717 12.645 107 HZ1 LYS 12 HZ1 LYS 12 -4.776 5.921 13.572 108 HZ2 LYS 12 HZ2 LYS 12 -3.149 5.609 13.912 109 HZ3 LYS 12 HZ3 LYS 12 -3.927 4.774 12.664 110 H ILE 13 H ILE 13 -0.326 9.002 9.408 111 HA ILE 13 HA ILE 13 0.631 9.328 11.972 112 HB ILE 13 HB ILE 13 2.241 9.623 9.433 113 HG12 ILE 13 HG12 ILE 13 1.584 7.166 11.075 114 HG13 ILE 13 HG13 ILE 13 0.950 7.536 9.475 115 HG21 ILE 13 HG21 ILE 13 3.090 8.872 12.228 116 HG22 ILE 13 HG22 ILE 13 4.129 8.887 10.804 117 HG23 ILE 13 HG23 ILE 13 3.441 10.394 11.408 118 HD11 ILE 13 HD11 ILE 13 3.542 7.631 8.906 119 HD12 ILE 13 HD12 ILE 13 3.606 6.526 10.279 120 HD13 ILE 13 HD13 ILE 13 2.613 6.132 8.875 121 H ILE 14 H ILE 14 0.508 11.681 9.353 122 HA ILE 14 HA ILE 14 2.018 13.678 10.731 123 HB ILE 14 HB ILE 14 0.241 13.773 8.303 124 HG12 ILE 14 HG12 ILE 14 3.219 14.160 8.685 125 HG13 ILE 14 HG13 ILE 14 2.449 12.701 8.071 126 HG21 ILE 14 HG21 ILE 14 1.695 16.045 9.642 127 HG22 ILE 14 HG22 ILE 14 1.081 16.103 7.990 128 HG23 ILE 14 HG23 ILE 14 -0.037 15.908 9.340 129 HD11 ILE 14 HD11 ILE 14 1.494 14.226 6.243 130 HD12 ILE 14 HD12 ILE 14 2.732 15.371 6.761 131 HD13 ILE 14 HD13 ILE 14 3.198 13.778 6.164 132 H SER 15 H SER 15 -1.450 13.203 10.103 133 HA SER 15 HA SER 15 -2.312 15.504 11.494 134 HB2 SER 15 HB2 SER 15 -4.536 14.555 11.348 135 HB3 SER 15 HB3 SER 15 -3.689 14.245 9.833 136 HG SER 15 HG SER 15 -4.685 12.486 11.650 137 H ASN 16 H ASN 16 -1.136 12.497 12.576 138 HA ASN 16 HA ASN 16 -2.412 12.743 15.195 139 HB2 ASN 16 HB2 ASN 16 -0.930 10.566 13.774 140 HB3 ASN 16 HB3 ASN 16 -0.994 10.547 15.534 141 HD21 ASN 16 HD21 ASN 16 -3.353 11.436 13.040 142 HD22 ASN 16 HD22 ASN 16 -4.585 10.350 13.577 143 H HIS 17 H HIS 17 0.822 12.595 13.741 144 HA HIS 17 HA HIS 17 2.232 12.987 16.169 145 HB2 HIS 17 HB2 HIS 17 3.226 12.022 14.094 146 HB3 HIS 17 HB3 HIS 17 3.160 13.621 13.360 147 HD1 HIS 17 HD1 HIS 17 5.526 11.515 14.803 148 HD2 HIS 17 HD2 HIS 17 4.602 15.528 15.355 149 HE1 HIS 17 HE1 HIS 17 7.583 12.545 15.818 150 H PHE 18 H PHE 18 1.292 15.200 13.553 151 HA PHE 18 HA PHE 18 2.175 17.477 15.157 152 HB2 PHE 18 HB2 PHE 18 1.143 17.354 12.316 153 HB3 PHE 18 HB3 PHE 18 1.735 18.804 13.118 154 HD1 PHE 18 HD1 PHE 18 4.128 18.983 13.731 155 HD2 PHE 18 HD2 PHE 18 2.627 15.765 11.384 156 HE1 PHE 18 HE1 PHE 18 6.415 18.460 12.992 157 HE2 PHE 18 HE2 PHE 18 4.912 15.236 10.642 158 HZ PHE 18 HZ PHE 18 6.810 16.583 11.446 159 H ASP 19 H ASP 19 0.594 19.482 14.701 160 HA ASP 19 HA ASP 19 -1.992 18.635 15.791 161 HB2 ASP 19 HB2 ASP 19 -0.550 21.289 15.820 162 HB3 ASP 19 HB3 ASP 19 -2.209 21.089 16.377 163 H ILE 20 H ILE 20 -1.116 18.675 12.886 164 HA ILE 20 HA ILE 20 -2.775 20.709 11.682 165 HB ILE 20 HB ILE 20 -0.632 19.799 10.667 166 HG12 ILE 20 HG12 ILE 20 -3.069 19.648 8.885 167 HG13 ILE 20 HG13 ILE 20 -2.376 21.159 9.464 168 HG21 ILE 20 HG21 ILE 20 -0.766 17.759 9.373 169 HG22 ILE 20 HG22 ILE 20 -1.137 17.422 11.063 170 HG23 ILE 20 HG23 ILE 20 -2.439 17.518 9.878 171 HD11 ILE 20 HD11 ILE 20 -0.838 21.145 7.872 172 HD12 ILE 20 HD12 ILE 20 -0.371 19.485 8.243 173 HD13 ILE 20 HD13 ILE 20 -1.715 19.798 7.146 174 H GLU 21 H GLU 21 -4.501 20.181 10.154 175 HA GLU 21 HA GLU 21 -6.263 18.164 11.276 176 HB2 GLU 21 HB2 GLU 21 -6.568 20.581 9.622 177 HB3 GLU 21 HB3 GLU 21 -7.663 19.269 9.212 178 HG2 GLU 21 HG2 GLU 21 -8.688 20.777 10.801 179 HG3 GLU 21 HG3 GLU 21 -8.442 19.188 11.522 180 H ALA 22 H ALA 22 -6.548 16.206 10.449 181 HA ALA 22 HA ALA 22 -5.069 15.187 8.319 182 HB1 ALA 22 HB1 ALA 22 -6.765 14.150 10.248 183 HB2 ALA 22 HB2 ALA 22 -7.543 13.736 8.720 184 HB3 ALA 22 HB3 ALA 22 -5.879 13.238 9.025 185 H ASP 23 H ASP 23 -7.964 17.019 8.306 186 HA ASP 23 HA ASP 23 -8.665 16.189 5.593 187 HB2 ASP 23 HB2 ASP 23 -10.226 16.873 7.745 188 HB3 ASP 23 HB3 ASP 23 -10.225 18.362 6.803 189 H GLN 24 H GLN 24 -7.270 18.850 7.354 190 HA GLN 24 HA GLN 24 -7.437 20.704 5.157 191 HB2 GLN 24 HB2 GLN 24 -5.904 20.822 7.759 192 HB3 GLN 24 HB3 GLN 24 -6.003 22.141 6.599 193 HG2 GLN 24 HG2 GLN 24 -8.354 20.911 8.020 194 HG3 GLN 24 HG3 GLN 24 -7.544 22.402 8.497 195 HE21 GLN 24 HE21 GLN 24 -9.937 21.011 6.568 196 HE22 GLN 24 HE22 GLN 24 -10.361 22.412 5.650 197 H VAL 25 H VAL 25 -5.104 18.435 6.426 198 HA VAL 25 HA VAL 25 -2.732 19.268 5.352 199 HB VAL 25 HB VAL 25 -2.221 16.792 4.999 200 HG11 VAL 25 HG11 VAL 25 -3.131 17.935 7.623 201 HG12 VAL 25 HG12 VAL 25 -2.386 16.340 7.503 202 HG13 VAL 25 HG13 VAL 25 -1.489 17.774 7.002 203 HG21 VAL 25 HG21 VAL 25 -4.540 16.021 6.599 204 HG22 VAL 25 HG22 VAL 25 -4.949 16.542 4.965 205 HG23 VAL 25 HG23 VAL 25 -3.806 15.222 5.209 206 H THR 26 H THR 26 -2.524 20.149 3.384 207 HA THR 26 HA THR 26 -3.381 18.535 1.074 208 HB THR 26 HB THR 26 -4.895 20.439 1.263 209 HG1 THR 26 HG1 THR 26 -4.688 21.044 -0.840 210 HG21 THR 26 HG21 THR 26 -2.358 21.909 1.647 211 HG22 THR 26 HG22 THR 26 -3.959 22.213 2.322 212 HG23 THR 26 HG23 THR 26 -3.588 22.713 0.672 213 H ASP 27 H ASP 27 -2.184 19.075 -0.937 214 HA ASP 27 HA ASP 27 0.595 18.927 -0.520 215 HB2 ASP 27 HB2 ASP 27 0.790 19.071 -2.953 216 HB3 ASP 27 HB3 ASP 27 -0.523 17.987 -2.502 217 H GLN 28 H GLN 28 -1.512 21.594 -0.631 218 HA GLN 28 HA GLN 28 0.611 23.473 -1.340 219 HB2 GLN 28 HB2 GLN 28 -2.225 23.450 -1.631 220 HB3 GLN 28 HB3 GLN 28 -1.791 24.818 -0.615 221 HG2 GLN 28 HG2 GLN 28 -0.456 25.778 -2.282 222 HG3 GLN 28 HG3 GLN 28 -0.414 24.288 -3.223 223 HE21 GLN 28 HE21 GLN 28 -2.198 27.136 -2.444 224 HE22 GLN 28 HE22 GLN 28 -3.434 26.947 -3.635 225 H LEU 29 H LEU 29 0.165 21.873 1.283 226 HA LEU 29 HA LEU 29 0.733 24.154 3.040 227 HB2 LEU 29 HB2 LEU 29 -1.302 22.004 3.426 228 HB3 LEU 29 HB3 LEU 29 -0.494 22.697 4.830 229 HG LEU 29 HG LEU 29 -2.096 24.268 2.813 230 HD11 LEU 29 HD11 LEU 29 -2.989 23.867 5.613 231 HD12 LEU 29 HD12 LEU 29 -3.218 22.540 4.475 232 HD13 LEU 29 HD13 LEU 29 -3.933 24.117 4.145 233 HD21 LEU 29 HD21 LEU 29 -1.844 25.600 5.276 234 HD22 LEU 29 HD22 LEU 29 -1.135 26.048 3.724 235 HD23 LEU 29 HD23 LEU 29 -0.230 25.032 4.846 236 H ASN 30 H ASN 30 2.934 23.395 2.546 237 HA ASN 30 HA ASN 30 3.933 20.882 3.200 238 HB2 ASN 30 HB2 ASN 30 5.247 22.502 1.946 239 HB3 ASN 30 HB3 ASN 30 5.307 23.573 3.343 240 HD21 ASN 30 HD21 ASN 30 7.656 23.222 2.601 241 HD22 ASN 30 HD22 ASN 30 8.517 21.979 3.437 242 H ILE 31 H ILE 31 3.942 19.843 5.071 243 HA ILE 31 HA ILE 31 3.246 20.980 7.534 244 HB ILE 31 HB ILE 31 4.722 18.406 6.975 245 HG12 ILE 31 HG12 ILE 31 2.231 17.695 7.756 246 HG13 ILE 31 HG13 ILE 31 1.878 19.230 6.970 247 HG21 ILE 31 HG21 ILE 31 5.127 19.058 9.254 248 HG22 ILE 31 HG22 ILE 31 3.415 19.398 9.502 249 HG23 ILE 31 HG23 ILE 31 3.955 17.740 9.238 250 HD11 ILE 31 HD11 ILE 31 1.908 16.913 5.672 251 HD12 ILE 31 HD12 ILE 31 2.363 18.438 4.910 252 HD13 ILE 31 HD13 ILE 31 3.610 17.340 5.502 253 H LYS 32 H LYS 32 6.382 20.362 6.060 254 HA LYS 32 HA LYS 32 8.112 20.653 8.154 255 HB2 LYS 32 HB2 LYS 32 8.879 20.198 5.894 256 HB3 LYS 32 HB3 LYS 32 8.380 21.801 5.370 257 HG2 LYS 32 HG2 LYS 32 10.049 22.806 6.841 258 HG3 LYS 32 HG3 LYS 32 10.548 21.199 7.374 259 HD2 LYS 32 HD2 LYS 32 11.903 21.003 5.622 260 HD3 LYS 32 HD3 LYS 32 10.560 21.296 4.514 261 HE2 LYS 32 HE2 LYS 32 10.912 23.647 4.583 262 HE3 LYS 32 HE3 LYS 32 12.044 23.502 5.927 263 HZ1 LYS 32 HZ1 LYS 32 13.236 23.855 3.886 264 HZ2 LYS 32 HZ2 LYS 32 12.474 22.535 3.152 265 HZ3 LYS 32 HZ3 LYS 32 13.547 22.286 4.437 266 H ASP 33 H ASP 33 6.816 23.328 6.184 267 HA ASP 33 HA ASP 33 7.810 25.272 8.096 268 HB2 ASP 33 HB2 ASP 33 6.480 25.440 5.410 269 HB3 ASP 33 HB3 ASP 33 6.569 26.863 6.445 270 H ASP 34 H ASP 34 4.651 24.308 6.767 271 HA ASP 34 HA ASP 34 2.974 25.949 8.163 272 HB2 ASP 34 HB2 ASP 34 2.301 24.225 6.469 273 HB3 ASP 34 HB3 ASP 34 2.458 23.002 7.726 274 H LEU 35 H LEU 35 4.036 22.731 9.281 275 HA LEU 35 HA LEU 35 3.068 23.298 11.955 276 HB2 LEU 35 HB2 LEU 35 4.247 20.912 10.590 277 HB3 LEU 35 HB3 LEU 35 4.161 20.973 12.349 278 HG LEU 35 HG LEU 35 2.297 19.716 11.442 279 HD11 LEU 35 HD11 LEU 35 2.128 21.482 13.398 280 HD12 LEU 35 HD12 LEU 35 0.715 20.597 12.824 281 HD13 LEU 35 HD13 LEU 35 0.998 22.251 12.282 282 HD21 LEU 35 HD21 LEU 35 0.974 22.034 10.220 283 HD22 LEU 35 HD22 LEU 35 1.027 20.349 9.700 284 HD23 LEU 35 HD23 LEU 35 2.376 21.427 9.337 285 H ASN 36 H ASN 36 5.954 23.657 10.202 286 HA ASN 36 HA ASN 36 8.016 24.430 10.779 287 HB2 ASN 36 HB2 ASN 36 6.354 25.622 12.583 288 HB3 ASN 36 HB3 ASN 36 7.455 24.759 13.654 289 HD21 ASN 36 HD21 ASN 36 7.157 27.603 13.303 290 HD22 ASN 36 HD22 ASN 36 8.692 28.203 12.785 291 H ALA 37 H ALA 37 7.252 21.605 11.035 292 HA ALA 37 HA ALA 37 8.210 20.266 13.220 293 HB1 ALA 37 HB1 ALA 37 8.517 18.370 11.834 294 HB2 ALA 37 HB2 ALA 37 7.173 19.282 11.145 295 HB3 ALA 37 HB3 ALA 37 8.771 19.370 10.403 296 H ASP 38 H ASP 38 10.164 19.700 14.049 297 HA ASP 38 HA ASP 38 12.390 21.317 13.603 298 HB2 ASP 38 HB2 ASP 38 11.753 18.974 15.215 299 HB3 ASP 38 HB3 ASP 38 13.430 18.977 14.676 300 H SER 39 H SER 39 14.601 20.484 12.984 301 HA SER 39 HA SER 39 14.480 19.506 10.300 302 HB2 SER 39 HB2 SER 39 16.543 20.612 12.097 303 HB3 SER 39 HB3 SER 39 17.137 19.460 10.900 304 HG SER 39 HG SER 39 15.611 21.799 10.382 305 H ILE 40 H ILE 40 16.117 18.269 13.220 306 HA ILE 40 HA ILE 40 16.976 15.846 12.225 307 HB ILE 40 HB ILE 40 15.964 16.379 15.020 308 HG12 ILE 40 HG12 ILE 40 17.722 17.945 14.358 309 HG13 ILE 40 HG13 ILE 40 18.333 16.804 15.550 310 HG21 ILE 40 HG21 ILE 40 16.331 14.219 15.382 311 HG22 ILE 40 HG22 ILE 40 16.978 14.002 13.756 312 HG23 ILE 40 HG23 ILE 40 18.041 14.513 15.067 313 HD11 ILE 40 HD11 ILE 40 18.834 16.777 12.586 314 HD12 ILE 40 HD12 ILE 40 19.994 17.123 13.869 315 HD13 ILE 40 HD13 ILE 40 19.333 15.498 13.693 316 H SER 41 H SER 41 13.770 16.796 13.221 317 HA SER 41 HA SER 41 12.561 14.328 13.594 318 HB2 SER 41 HB2 SER 41 11.132 16.559 12.171 319 HB3 SER 41 HB3 SER 41 10.504 15.429 13.370 320 HG SER 41 HG SER 41 11.378 16.591 14.955 321 H VAL 42 H VAL 42 13.200 16.089 10.600 322 HA VAL 42 HA VAL 42 11.766 14.547 8.802 323 HB VAL 42 HB VAL 42 13.142 16.679 8.372 324 HG11 VAL 42 HG11 VAL 42 15.374 16.549 7.846 325 HG12 VAL 42 HG12 VAL 42 15.267 15.336 9.124 326 HG13 VAL 42 HG13 VAL 42 15.289 14.837 7.432 327 HG21 VAL 42 HG21 VAL 42 12.297 16.256 6.361 328 HG22 VAL 42 HG22 VAL 42 13.754 15.333 5.992 329 HG23 VAL 42 HG23 VAL 42 12.338 14.518 6.656 330 H MET 43 H MET 43 14.731 13.823 10.471 331 HA MET 43 HA MET 43 15.634 11.727 8.799 332 HB2 MET 43 HB2 MET 43 16.695 13.047 10.913 333 HB3 MET 43 HB3 MET 43 16.231 11.538 11.687 334 HG2 MET 43 HG2 MET 43 18.012 10.527 10.863 335 HG3 MET 43 HG3 MET 43 17.527 10.946 9.222 336 HE1 MET 43 HE1 MET 43 20.206 10.752 11.321 337 HE2 MET 43 HE2 MET 43 21.212 12.196 11.203 338 HE3 MET 43 HE3 MET 43 19.855 12.156 12.330 339 H GLU 44 H GLU 44 13.292 11.896 11.378 340 HA GLU 44 HA GLU 44 13.071 9.014 11.598 341 HB2 GLU 44 HB2 GLU 44 11.234 11.068 12.821 342 HB3 GLU 44 HB3 GLU 44 11.500 9.410 13.343 343 HG2 GLU 44 HG2 GLU 44 14.011 10.618 13.433 344 HG3 GLU 44 HG3 GLU 44 12.891 11.812 14.086 345 H PHE 45 H PHE 45 11.029 11.712 10.506 346 HA PHE 45 HA PHE 45 8.827 10.197 9.690 347 HB2 PHE 45 HB2 PHE 45 9.859 12.823 8.599 348 HB3 PHE 45 HB3 PHE 45 8.268 12.151 8.254 349 HD1 PHE 45 HD1 PHE 45 7.064 11.349 10.592 350 HD2 PHE 45 HD2 PHE 45 9.848 14.532 10.112 351 HE1 PHE 45 HE1 PHE 45 6.167 12.433 12.610 352 HE2 PHE 45 HE2 PHE 45 8.956 15.621 12.129 353 HZ PHE 45 HZ PHE 45 7.113 14.572 13.382 354 H VAL 46 H VAL 46 11.781 11.084 7.979 355 HA VAL 46 HA VAL 46 10.988 10.071 5.448 356 HB VAL 46 HB VAL 46 12.875 11.702 5.876 357 HG11 VAL 46 HG11 VAL 46 14.472 9.215 6.452 358 HG12 VAL 46 HG12 VAL 46 15.031 10.888 6.477 359 HG13 VAL 46 HG13 VAL 46 13.896 10.318 7.701 360 HG21 VAL 46 HG21 VAL 46 13.529 9.282 4.198 361 HG22 VAL 46 HG22 VAL 46 12.487 10.615 3.703 362 HG23 VAL 46 HG23 VAL 46 14.201 10.901 4.005 363 H LEU 47 H LEU 47 12.144 8.591 8.329 364 HA LEU 47 HA LEU 47 13.117 6.198 7.048 365 HB2 LEU 47 HB2 LEU 47 13.787 7.281 9.340 366 HB3 LEU 47 HB3 LEU 47 12.431 6.334 9.948 367 HG LEU 47 HG LEU 47 13.728 4.389 8.674 368 HD11 LEU 47 HD11 LEU 47 16.222 4.985 9.477 369 HD12 LEU 47 HD12 LEU 47 15.676 6.581 8.962 370 HD13 LEU 47 HD13 LEU 47 15.640 5.230 7.829 371 HD21 LEU 47 HD21 LEU 47 14.959 5.065 11.267 372 HD22 LEU 47 HD22 LEU 47 14.148 3.589 10.742 373 HD23 LEU 47 HD23 LEU 47 13.197 4.988 11.242 374 H GLU 48 H GLU 48 10.319 7.045 9.078 375 HA GLU 48 HA GLU 48 9.079 4.542 9.049 376 HB2 GLU 48 HB2 GLU 48 6.962 5.872 9.480 377 HB3 GLU 48 HB3 GLU 48 8.285 6.133 10.608 378 HG2 GLU 48 HG2 GLU 48 8.852 8.211 9.553 379 HG3 GLU 48 HG3 GLU 48 7.668 7.931 8.276 380 H LEU 49 H LEU 49 8.840 7.256 6.800 381 HA LEU 49 HA LEU 49 6.787 6.129 5.197 382 HB2 LEU 49 HB2 LEU 49 8.868 8.177 4.450 383 HB3 LEU 49 HB3 LEU 49 7.377 7.843 3.572 384 HG LEU 49 HG LEU 49 7.260 8.749 6.421 385 HD11 LEU 49 HD11 LEU 49 8.731 10.227 4.787 386 HD12 LEU 49 HD12 LEU 49 7.622 10.945 5.954 387 HD13 LEU 49 HD13 LEU 49 7.140 10.784 4.265 388 HD21 LEU 49 HD21 LEU 49 5.434 9.358 4.110 389 HD22 LEU 49 HD22 LEU 49 5.102 9.500 5.837 390 HD23 LEU 49 HD23 LEU 49 5.269 7.906 5.098 391 H GLU 50 H GLU 50 10.294 6.455 4.626 392 HA GLU 50 HA GLU 50 10.366 4.947 2.267 393 HB2 GLU 50 HB2 GLU 50 12.667 5.105 2.390 394 HB3 GLU 50 HB3 GLU 50 12.175 6.458 3.399 395 HG2 GLU 50 HG2 GLU 50 13.685 5.573 4.808 396 HG3 GLU 50 HG3 GLU 50 12.319 4.562 5.274 397 H ASP 51 H ASP 51 10.104 3.987 5.563 398 HA ASP 51 HA ASP 51 10.991 1.271 5.094 399 HB2 ASP 51 HB2 ASP 51 11.414 2.335 7.266 400 HB3 ASP 51 HB3 ASP 51 9.681 2.522 7.518 401 H GLU 52 H GLU 52 7.933 2.674 6.291 402 HA GLU 52 HA GLU 52 6.347 0.436 6.057 403 HB2 GLU 52 HB2 GLU 52 5.862 2.904 6.899 404 HB3 GLU 52 HB3 GLU 52 5.168 3.067 5.292 405 HG2 GLU 52 HG2 GLU 52 4.377 1.049 7.380 406 HG3 GLU 52 HG3 GLU 52 3.465 2.480 6.904 407 H PHE 53 H PHE 53 6.619 3.036 3.627 408 HA PHE 53 HA PHE 53 5.159 1.660 1.640 409 HB2 PHE 53 HB2 PHE 53 7.242 3.784 1.128 410 HB3 PHE 53 HB3 PHE 53 5.830 3.400 0.149 411 HD1 PHE 53 HD1 PHE 53 3.819 3.181 2.383 412 HD2 PHE 53 HD2 PHE 53 6.849 6.056 1.563 413 HE1 PHE 53 HE1 PHE 53 2.520 4.889 3.587 414 HE2 PHE 53 HE2 PHE 53 5.555 7.768 2.767 415 HZ PHE 53 HZ PHE 53 3.387 7.186 3.780 416 H GLY 54 H GLY 54 8.493 1.570 2.612 417 HA2 GLY 54 HA2 GLY 54 10.154 0.081 2.030 418 HA3 GLY 54 HA3 GLY 54 8.982 -0.757 1.024 419 H THR 55 H THR 55 10.499 2.473 1.005 420 HA THR 55 HA THR 55 11.483 1.923 -1.702 421 HB THR 55 HB THR 55 9.336 3.177 -1.894 422 HG1 THR 55 HG1 THR 55 10.856 3.466 -3.527 423 HG21 THR 55 HG21 THR 55 8.887 4.970 -0.646 424 HG22 THR 55 HG22 THR 55 10.388 5.753 -1.140 425 HG23 THR 55 HG23 THR 55 10.379 4.657 0.241 426 H GLU 56 H GLU 56 13.075 3.598 -2.425 427 HA GLU 56 HA GLU 56 14.772 4.341 -0.152 428 HB2 GLU 56 HB2 GLU 56 16.597 4.467 -1.776 429 HB3 GLU 56 HB3 GLU 56 15.797 2.903 -1.846 430 HG2 GLU 56 HG2 GLU 56 14.447 3.870 -3.778 431 HG3 GLU 56 HG3 GLU 56 15.636 5.171 -3.797 432 H ILE 57 H ILE 57 14.916 6.390 0.453 433 HA ILE 57 HA ILE 57 14.043 8.475 -1.432 434 HB ILE 57 HB ILE 57 14.153 8.577 1.585 435 HG12 ILE 57 HG12 ILE 57 11.717 8.603 -0.198 436 HG13 ILE 57 HG13 ILE 57 12.364 7.128 0.512 437 HG21 ILE 57 HG21 ILE 57 14.582 10.752 0.562 438 HG22 ILE 57 HG22 ILE 57 13.111 10.597 -0.396 439 HG23 ILE 57 HG23 ILE 57 13.010 10.724 1.360 440 HD11 ILE 57 HD11 ILE 57 10.810 7.633 2.076 441 HD12 ILE 57 HD12 ILE 57 12.157 8.566 2.728 442 HD13 ILE 57 HD13 ILE 57 10.907 9.368 1.776 443 H SER 58 H SER 58 15.562 9.738 -2.256 444 HA SER 58 HA SER 58 18.268 9.583 -1.673 445 HB2 SER 58 HB2 SER 58 16.891 12.030 -2.794 446 HB3 SER 58 HB3 SER 58 18.558 11.521 -3.064 447 HG SER 58 HG SER 58 17.296 9.494 -3.871 448 H ASP 59 H ASP 59 19.687 11.316 -0.832 449 HA ASP 59 HA ASP 59 18.764 12.148 1.772 450 HB2 ASP 59 HB2 ASP 59 21.410 12.272 0.345 451 HB3 ASP 59 HB3 ASP 59 21.159 13.105 1.876 452 H GLU 60 H GLU 60 19.241 13.582 -1.343 453 HA GLU 60 HA GLU 60 19.189 16.297 -0.331 454 HB2 GLU 60 HB2 GLU 60 18.905 15.484 -3.215 455 HB3 GLU 60 HB3 GLU 60 19.521 16.996 -2.563 456 HG2 GLU 60 HG2 GLU 60 21.441 15.692 -1.615 457 HG3 GLU 60 HG3 GLU 60 20.859 14.306 -2.536 458 H ASP 61 H ASP 61 17.154 14.478 -2.632 459 HA ASP 61 HA ASP 61 15.035 16.254 -2.744 460 HB2 ASP 61 HB2 ASP 61 15.209 13.276 -3.104 461 HB3 ASP 61 HB3 ASP 61 13.659 14.103 -3.222 462 H ALA 62 H ALA 62 15.838 13.907 -0.290 463 HA ALA 62 HA ALA 62 13.393 13.698 1.035 464 HB1 ALA 62 HB1 ALA 62 16.224 13.257 1.742 465 HB2 ALA 62 HB2 ALA 62 15.109 13.484 3.090 466 HB3 ALA 62 HB3 ALA 62 14.827 12.195 1.920 467 H GLU 63 H GLU 63 15.501 16.369 0.747 468 HA GLU 63 HA GLU 63 14.575 17.686 3.159 469 HB2 GLU 63 HB2 GLU 63 16.926 17.881 2.118 470 HB3 GLU 63 HB3 GLU 63 16.177 18.978 0.967 471 HG2 GLU 63 HG2 GLU 63 15.302 20.154 3.142 472 HG3 GLU 63 HG3 GLU 63 16.676 19.330 3.876 473 H LYS 64 H LYS 64 13.718 17.493 -0.160 474 HA LYS 64 HA LYS 64 12.103 19.932 -0.019 475 HB2 LYS 64 HB2 LYS 64 12.387 18.130 -2.415 476 HB3 LYS 64 HB3 LYS 64 11.911 19.822 -2.375 477 HG2 LYS 64 HG2 LYS 64 14.270 20.262 -1.473 478 HG3 LYS 64 HG3 LYS 64 14.637 18.631 -2.038 479 HD2 LYS 64 HD2 LYS 64 13.374 19.684 -4.207 480 HD3 LYS 64 HD3 LYS 64 14.194 21.105 -3.556 481 HE2 LYS 64 HE2 LYS 64 16.199 19.347 -3.394 482 HE3 LYS 64 HE3 LYS 64 15.314 18.631 -4.740 483 HZ1 LYS 64 HZ1 LYS 64 16.988 20.200 -5.502 484 HZ2 LYS 64 HZ2 LYS 64 16.267 21.441 -4.607 485 HZ3 LYS 64 HZ3 LYS 64 15.436 20.740 -5.903 486 H ILE 65 H ILE 65 11.789 16.452 -0.611 487 HA ILE 65 HA ILE 65 8.943 16.530 -0.864 488 HB ILE 65 HB ILE 65 9.089 14.049 -0.643 489 HG12 ILE 65 HG12 ILE 65 11.988 13.956 -0.931 490 HG13 ILE 65 HG13 ILE 65 11.496 14.606 0.629 491 HG21 ILE 65 HG21 ILE 65 9.310 15.259 -2.807 492 HG22 ILE 65 HG22 ILE 65 11.061 15.187 -2.616 493 HG23 ILE 65 HG23 ILE 65 10.129 13.698 -2.774 494 HD11 ILE 65 HD11 ILE 65 11.472 11.892 -0.322 495 HD12 ILE 65 HD12 ILE 65 11.272 12.516 1.316 496 HD13 ILE 65 HD13 ILE 65 9.876 12.383 0.246 497 H GLU 66 H GLU 66 9.005 17.922 1.257 498 HA GLU 66 HA GLU 66 8.526 16.097 3.520 499 HB2 GLU 66 HB2 GLU 66 9.416 18.981 3.678 500 HB3 GLU 66 HB3 GLU 66 9.189 17.881 5.031 501 HG2 GLU 66 HG2 GLU 66 10.989 16.446 4.059 502 HG3 GLU 66 HG3 GLU 66 11.286 17.726 2.884 503 H THR 67 H THR 67 6.702 17.108 1.391 504 HA THR 67 HA THR 67 4.729 18.406 3.155 505 HB THR 67 HB THR 67 4.035 19.864 1.534 506 HG1 THR 67 HG1 THR 67 4.024 19.399 -0.633 507 HG21 THR 67 HG21 THR 67 5.877 21.011 0.796 508 HG22 THR 67 HG22 THR 67 6.697 19.553 0.238 509 HG23 THR 67 HG23 THR 67 6.649 19.934 1.959 510 H VAL 68 H VAL 68 2.458 17.999 2.520 511 HA VAL 68 HA VAL 68 1.804 15.334 2.468 512 HB VAL 68 HB VAL 68 0.109 17.547 1.305 513 HG11 VAL 68 HG11 VAL 68 -0.727 14.943 2.574 514 HG12 VAL 68 HG12 VAL 68 -1.775 16.147 1.820 515 HG13 VAL 68 HG13 VAL 68 -0.639 15.224 0.835 516 HG21 VAL 68 HG21 VAL 68 -0.873 17.630 3.606 517 HG22 VAL 68 HG22 VAL 68 0.461 16.612 4.148 518 HG23 VAL 68 HG23 VAL 68 0.786 18.217 3.495 519 H GLY 69 H GLY 69 1.900 17.557 -0.314 520 HA2 GLY 69 HA2 GLY 69 1.356 15.411 -2.174 521 HA3 GLY 69 HA3 GLY 69 1.685 17.089 -2.580 522 H ALA 70 H ALA 70 4.152 17.428 -1.339 523 HA ALA 70 HA ALA 70 5.909 16.445 -3.283 524 HB1 ALA 70 HB1 ALA 70 6.143 18.439 -1.632 525 HB2 ALA 70 HB2 ALA 70 6.894 17.242 -0.577 526 HB3 ALA 70 HB3 ALA 70 7.584 17.575 -2.166 527 H ALA 71 H ALA 71 4.631 14.940 -0.504 528 HA ALA 71 HA ALA 71 6.810 13.045 -0.211 529 HB1 ALA 71 HB1 ALA 71 5.163 12.008 1.466 530 HB2 ALA 71 HB2 ALA 71 5.856 13.586 1.844 531 HB3 ALA 71 HB3 ALA 71 4.211 13.473 1.218 532 H VAL 72 H VAL 72 3.295 12.625 -0.672 533 HA VAL 72 HA VAL 72 3.389 9.992 -1.551 534 HB VAL 72 HB VAL 72 1.292 11.003 -0.907 535 HG11 VAL 72 HG11 VAL 72 1.917 13.259 -1.919 536 HG12 VAL 72 HG12 VAL 72 1.293 12.617 -3.440 537 HG13 VAL 72 HG13 VAL 72 0.230 12.762 -2.039 538 HG21 VAL 72 HG21 VAL 72 1.347 9.123 -2.578 539 HG22 VAL 72 HG22 VAL 72 -0.124 10.095 -2.586 540 HG23 VAL 72 HG23 VAL 72 1.097 10.334 -3.836 541 H ASP 73 H ASP 73 3.592 12.996 -3.407 542 HA ASP 73 HA ASP 73 3.501 11.885 -5.975 543 HB2 ASP 73 HB2 ASP 73 3.266 14.278 -5.616 544 HB3 ASP 73 HB3 ASP 73 4.913 14.375 -4.998 545 H TYR 74 H TYR 74 6.018 11.946 -3.608 546 HA TYR 74 HA TYR 74 8.087 11.249 -5.529 547 HB2 TYR 74 HB2 TYR 74 8.589 12.760 -3.625 548 HB3 TYR 74 HB3 TYR 74 8.244 11.440 -2.513 549 HD1 TYR 74 HD2 TYR 74 10.390 12.145 -5.494 550 HD2 TYR 74 HD1 TYR 74 10.030 10.217 -1.718 551 HE1 TYR 74 HE2 TYR 74 12.730 11.405 -5.656 552 HE2 TYR 74 HE1 TYR 74 12.370 9.473 -1.869 553 HH TYR 74 HH TYR 74 14.155 9.590 -4.722 554 H ILE 75 H ILE 75 6.657 9.785 -2.609 555 HA ILE 75 HA ILE 75 7.909 7.302 -2.806 556 HB ILE 75 HB ILE 75 5.139 7.801 -1.714 557 HG12 ILE 75 HG12 ILE 75 6.698 9.372 -0.710 558 HG13 ILE 75 HG13 ILE 75 6.287 8.125 0.462 559 HG21 ILE 75 HG21 ILE 75 6.884 5.843 -0.418 560 HG22 ILE 75 HG22 ILE 75 5.182 5.730 -0.860 561 HG23 ILE 75 HG23 ILE 75 6.429 5.423 -2.069 562 HD11 ILE 75 HD11 ILE 75 8.564 7.200 -0.875 563 HD12 ILE 75 HD12 ILE 75 8.850 8.907 -0.533 564 HD13 ILE 75 HD13 ILE 75 8.447 7.800 0.779 565 H VAL 76 H VAL 76 4.847 8.428 -4.182 566 HA VAL 76 HA VAL 76 4.106 5.925 -5.304 567 HB VAL 76 HB VAL 76 3.233 8.721 -6.045 568 HG11 VAL 76 HG11 VAL 76 2.465 6.042 -7.073 569 HG12 VAL 76 HG12 VAL 76 1.193 7.247 -6.866 570 HG13 VAL 76 HG13 VAL 76 2.572 7.589 -7.913 571 HG21 VAL 76 HG21 VAL 76 1.317 8.322 -4.674 572 HG22 VAL 76 HG22 VAL 76 1.789 6.644 -4.405 573 HG23 VAL 76 HG23 VAL 76 2.749 7.952 -3.714 574 H SER 77 H SER 77 5.233 8.908 -6.911 575 HA SER 77 HA SER 77 5.584 7.882 -9.447 576 HB2 SER 77 HB2 SER 77 5.761 10.287 -8.862 577 HB3 SER 77 HB3 SER 77 7.326 9.970 -8.113 578 HG SER 77 HG SER 77 7.011 10.642 -10.539 579 H ASN 78 H ASN 78 7.595 7.508 -6.628 580 HA ASN 78 HA ASN 78 9.831 6.428 -8.105 581 HB2 ASN 78 HB2 ASN 78 10.046 7.734 -5.950 582 HB3 ASN 78 HB3 ASN 78 9.381 6.330 -5.120 583 HD21 ASN 78 HD21 ASN 78 10.551 4.294 -5.377 584 HD22 ASN 78 HD22 ASN 78 12.272 4.341 -5.516 585 H SER 79 H SER 79 7.181 5.215 -6.122 586 HA SER 79 HA SER 79 8.095 2.474 -6.354 587 HB2 SER 79 HB2 SER 79 6.959 3.383 -4.293 588 HB3 SER 79 HB3 SER 79 5.467 3.463 -5.230 589 HG SER 79 HG SER 79 5.444 1.273 -5.392 Start of MODEL 7 1 H1 MET 1 H MET 1 1.515 1.512 0.467 2 HA MET 1 HA MET 1 3.889 0.690 -0.946 3 HB2 MET 1 HB2 MET 1 3.059 -1.493 -0.340 4 HB3 MET 1 HB3 MET 1 1.440 -1.078 -0.887 5 HG2 MET 1 HG2 MET 1 3.559 -0.827 -2.908 6 HG3 MET 1 HG3 MET 1 3.231 -2.464 -2.343 7 HE1 MET 1 HE1 MET 1 1.687 -3.908 -3.435 8 HE2 MET 1 HE2 MET 1 0.505 -3.359 -2.247 9 HE3 MET 1 HE3 MET 1 0.054 -3.482 -3.949 10 H THR 2 H THR 2 0.350 0.872 -1.368 11 HA THR 2 HA THR 2 0.712 2.119 -3.971 12 HB THR 2 HB THR 2 -1.021 0.372 -3.673 13 HG1 THR 2 HG1 THR 2 -1.932 1.429 -5.252 14 HG21 THR 2 HG21 THR 2 -1.593 1.601 -1.314 15 HG22 THR 2 HG22 THR 2 -2.667 0.470 -2.135 16 HG23 THR 2 HG23 THR 2 -2.892 2.206 -2.340 17 H ARG 3 H ARG 3 -0.869 3.984 -4.456 18 HA ARG 3 HA ARG 3 -0.095 6.226 -2.992 19 HB2 ARG 3 HB2 ARG 3 -1.779 7.450 -4.271 20 HB3 ARG 3 HB3 ARG 3 -0.894 6.339 -5.308 21 HG2 ARG 3 HG2 ARG 3 -2.751 4.759 -5.209 22 HG3 ARG 3 HG3 ARG 3 -3.639 5.869 -4.163 23 HD2 ARG 3 HD2 ARG 3 -3.353 7.578 -6.045 24 HD3 ARG 3 HD3 ARG 3 -2.890 6.206 -7.051 25 HE ARG 3 HE ARG 3 -5.321 5.625 -5.772 26 HH11 ARG 3 HH11 ARG 3 -4.019 7.710 -8.238 27 HH12 ARG 3 HH12 ARG 3 -5.508 7.815 -9.118 28 HH21 ARG 3 HH21 ARG 3 -7.287 5.757 -6.922 29 HH22 ARG 3 HH22 ARG 3 -7.366 6.705 -8.368 30 H GLU 4 H GLU 4 -2.882 4.126 -2.658 31 HA GLU 4 HA GLU 4 -4.387 5.781 -0.928 32 HB2 GLU 4 HB2 GLU 4 -4.396 2.765 -1.139 33 HB3 GLU 4 HB3 GLU 4 -5.642 3.749 -0.385 34 HG2 GLU 4 HG2 GLU 4 -5.424 4.811 -2.922 35 HG3 GLU 4 HG3 GLU 4 -5.236 3.077 -3.173 36 H GLU 5 H GLU 5 -2.534 2.835 -0.133 37 HA GLU 5 HA GLU 5 -2.631 3.034 2.612 38 HB2 GLU 5 HB2 GLU 5 -0.444 1.955 0.834 39 HB3 GLU 5 HB3 GLU 5 -0.443 1.765 2.581 40 HG2 GLU 5 HG2 GLU 5 -2.901 0.836 2.009 41 HG3 GLU 5 HG3 GLU 5 -2.049 0.405 0.527 42 H VAL 6 H VAL 6 -0.322 4.533 0.389 43 HA VAL 6 HA VAL 6 1.377 5.650 2.334 44 HB VAL 6 HB VAL 6 0.787 6.624 -0.465 45 HG11 VAL 6 HG11 VAL 6 2.060 8.386 -0.020 46 HG12 VAL 6 HG12 VAL 6 2.302 7.824 1.636 47 HG13 VAL 6 HG13 VAL 6 3.400 7.304 0.357 48 HG21 VAL 6 HG21 VAL 6 1.915 4.259 0.259 49 HG22 VAL 6 HG22 VAL 6 2.253 5.110 -1.249 50 HG23 VAL 6 HG23 VAL 6 3.335 5.297 0.131 51 H LEU 7 H LEU 7 -1.300 7.131 0.503 52 HA LEU 7 HA LEU 7 -1.241 9.650 1.646 53 HB2 LEU 7 HB2 LEU 7 -2.638 9.358 -0.205 54 HB3 LEU 7 HB3 LEU 7 -3.467 7.985 0.526 55 HG LEU 7 HG LEU 7 -3.800 10.531 1.957 56 HD11 LEU 7 HD11 LEU 7 -3.801 10.972 -0.635 57 HD12 LEU 7 HD12 LEU 7 -5.020 11.696 0.414 58 HD13 LEU 7 HD13 LEU 7 -5.411 10.259 -0.530 59 HD21 LEU 7 HD21 LEU 7 -5.590 9.449 2.708 60 HD22 LEU 7 HD22 LEU 7 -5.042 8.038 1.803 61 HD23 LEU 7 HD23 LEU 7 -6.181 9.168 1.070 62 H GLN 8 H GLN 8 -3.010 6.771 2.744 63 HA GLN 8 HA GLN 8 -4.288 7.950 4.938 64 HB2 GLN 8 HB2 GLN 8 -3.565 5.158 4.174 65 HB3 GLN 8 HB3 GLN 8 -4.104 5.461 5.821 66 HG2 GLN 8 HG2 GLN 8 -5.809 6.697 3.812 67 HG3 GLN 8 HG3 GLN 8 -5.714 4.943 3.667 68 HE21 GLN 8 HE21 GLN 8 -6.818 7.605 5.555 69 HE22 GLN 8 HE22 GLN 8 -7.725 6.691 6.707 70 H LYS 9 H LYS 9 -1.386 5.872 4.980 71 HA LYS 9 HA LYS 9 -0.675 6.130 7.608 72 HB2 LYS 9 HB2 LYS 9 0.656 5.397 5.150 73 HB3 LYS 9 HB3 LYS 9 1.758 6.261 6.214 74 HG2 LYS 9 HG2 LYS 9 1.990 3.950 6.681 75 HG3 LYS 9 HG3 LYS 9 1.112 4.668 8.033 76 HD2 LYS 9 HD2 LYS 9 -0.533 3.610 5.818 77 HD3 LYS 9 HD3 LYS 9 0.335 2.416 6.785 78 HE2 LYS 9 HE2 LYS 9 -0.821 4.303 8.560 79 HE3 LYS 9 HE3 LYS 9 -2.064 3.817 7.408 80 HZ1 LYS 9 HZ1 LYS 9 -2.265 2.210 9.005 81 HZ2 LYS 9 HZ2 LYS 9 -0.614 2.186 9.373 82 HZ3 LYS 9 HZ3 LYS 9 -1.176 1.450 7.957 83 H VAL 10 H VAL 10 0.634 8.173 4.988 84 HA VAL 10 HA VAL 10 2.037 9.980 6.513 85 HB VAL 10 HB VAL 10 0.489 10.516 3.976 86 HG11 VAL 10 HG11 VAL 10 2.614 12.165 5.338 87 HG12 VAL 10 HG12 VAL 10 2.013 12.446 3.703 88 HG13 VAL 10 HG13 VAL 10 0.928 12.613 5.084 89 HG21 VAL 10 HG21 VAL 10 2.054 9.212 3.071 90 HG22 VAL 10 HG22 VAL 10 3.208 10.494 3.440 91 HG23 VAL 10 HG23 VAL 10 2.981 9.159 4.570 92 H ALA 11 H ALA 11 -1.397 10.104 5.624 93 HA ALA 11 HA ALA 11 -1.973 12.581 6.827 94 HB1 ALA 11 HB1 ALA 11 -3.642 11.946 5.402 95 HB2 ALA 11 HB2 ALA 11 -3.586 10.257 5.910 96 HB3 ALA 11 HB3 ALA 11 -4.358 11.463 6.940 97 H LYS 12 H LYS 12 -1.994 9.285 8.085 98 HA LYS 12 HA LYS 12 -3.143 9.963 10.604 99 HB2 LYS 12 HB2 LYS 12 -2.962 7.649 9.410 100 HB3 LYS 12 HB3 LYS 12 -1.387 7.566 10.188 101 HG2 LYS 12 HG2 LYS 12 -2.504 7.906 12.374 102 HG3 LYS 12 HG3 LYS 12 -4.061 7.837 11.545 103 HD2 LYS 12 HD2 LYS 12 -3.709 5.664 12.371 104 HD3 LYS 12 HD3 LYS 12 -3.303 5.572 10.656 105 HE2 LYS 12 HE2 LYS 12 -1.039 5.393 11.067 106 HE3 LYS 12 HE3 LYS 12 -1.159 6.166 12.647 107 HZ1 LYS 12 HZ1 LYS 12 -1.636 3.379 11.900 108 HZ2 LYS 12 HZ2 LYS 12 -2.573 4.027 13.150 109 HZ3 LYS 12 HZ3 LYS 12 -0.886 4.015 13.277 110 H ILE 13 H ILE 13 0.173 8.931 9.771 111 HA ILE 13 HA ILE 13 1.387 9.438 12.187 112 HB ILE 13 HB ILE 13 2.612 9.891 9.464 113 HG12 ILE 13 HG12 ILE 13 2.525 7.411 11.196 114 HG13 ILE 13 HG13 ILE 13 1.633 7.649 9.697 115 HG21 ILE 13 HG21 ILE 13 4.742 9.414 10.611 116 HG22 ILE 13 HG22 ILE 13 3.957 10.871 11.217 117 HG23 ILE 13 HG23 ILE 13 3.881 9.376 12.150 118 HD11 ILE 13 HD11 ILE 13 4.272 8.142 9.013 119 HD12 ILE 13 HD12 ILE 13 4.343 6.763 10.111 120 HD13 ILE 13 HD13 ILE 13 3.337 6.688 8.664 121 H ILE 14 H ILE 14 0.693 11.706 9.572 122 HA ILE 14 HA ILE 14 2.050 13.908 10.784 123 HB ILE 14 HB ILE 14 0.036 13.744 8.550 124 HG12 ILE 14 HG12 ILE 14 2.979 14.451 8.603 125 HG13 ILE 14 HG13 ILE 14 2.310 12.904 8.094 126 HG21 ILE 14 HG21 ILE 14 -0.358 15.858 9.587 127 HG22 ILE 14 HG22 ILE 14 1.370 16.182 9.710 128 HG23 ILE 14 HG23 ILE 14 0.591 16.144 8.128 129 HD11 ILE 14 HD11 ILE 14 2.728 14.011 6.104 130 HD12 ILE 14 HD12 ILE 14 1.005 14.281 6.364 131 HD13 ILE 14 HD13 ILE 14 2.164 15.559 6.730 132 H SER 15 H SER 15 -1.314 12.823 10.656 133 HA SER 15 HA SER 15 -2.373 15.071 12.042 134 HB2 SER 15 HB2 SER 15 -3.805 13.701 10.624 135 HB3 SER 15 HB3 SER 15 -3.506 12.291 11.641 136 HG SER 15 HG SER 15 -5.016 12.962 12.924 137 H ASN 16 H ASN 16 -0.630 12.328 13.042 138 HA ASN 16 HA ASN 16 -1.643 12.456 15.781 139 HB2 ASN 16 HB2 ASN 16 -0.078 10.485 14.198 140 HB3 ASN 16 HB3 ASN 16 0.245 10.557 15.928 141 HD21 ASN 16 HD21 ASN 16 -2.717 10.913 14.012 142 HD22 ASN 16 HD22 ASN 16 -3.599 9.673 14.829 143 H HIS 17 H HIS 17 1.397 12.800 13.984 144 HA HIS 17 HA HIS 17 2.971 13.501 16.234 145 HB2 HIS 17 HB2 HIS 17 3.910 12.653 14.098 146 HB3 HIS 17 HB3 HIS 17 3.455 14.167 13.323 147 HD1 HIS 17 HD1 HIS 17 6.300 12.603 14.673 148 HD2 HIS 17 HD2 HIS 17 4.742 16.446 14.935 149 HE1 HIS 17 HE1 HIS 17 8.226 14.064 15.366 150 H PHE 18 H PHE 18 1.386 15.442 13.716 151 HA PHE 18 HA PHE 18 2.040 17.885 15.179 152 HB2 PHE 18 HB2 PHE 18 0.722 17.503 12.482 153 HB3 PHE 18 HB3 PHE 18 1.159 19.054 13.192 154 HD1 PHE 18 HD1 PHE 18 3.526 19.670 13.459 155 HD2 PHE 18 HD2 PHE 18 2.345 16.110 11.447 156 HE1 PHE 18 HE1 PHE 18 5.766 19.499 12.454 157 HE2 PHE 18 HE2 PHE 18 4.583 15.933 10.440 158 HZ PHE 18 HZ PHE 18 6.296 17.629 10.942 159 H ASP 19 H ASP 19 0.105 19.579 14.906 160 HA ASP 19 HA ASP 19 -2.150 18.351 16.314 161 HB2 ASP 19 HB2 ASP 19 -0.705 20.766 16.658 162 HB3 ASP 19 HB3 ASP 19 -2.344 21.208 16.187 163 H ILE 20 H ILE 20 -1.624 18.435 13.311 164 HA ILE 20 HA ILE 20 -3.778 20.059 12.285 165 HB ILE 20 HB ILE 20 -1.619 19.533 11.041 166 HG12 ILE 20 HG12 ILE 20 -4.180 18.906 9.562 167 HG13 ILE 20 HG13 ILE 20 -3.696 20.530 10.038 168 HG21 ILE 20 HG21 ILE 20 -3.056 16.949 10.456 169 HG22 ILE 20 HG22 ILE 20 -1.510 17.472 9.791 170 HG23 ILE 20 HG23 ILE 20 -1.652 17.108 11.510 171 HD11 ILE 20 HD11 ILE 20 -3.116 19.293 7.658 172 HD12 ILE 20 HD12 ILE 20 -2.316 20.725 8.308 173 HD13 ILE 20 HD13 ILE 20 -1.619 19.127 8.575 174 H GLU 21 H GLU 21 -5.520 19.138 10.964 175 HA GLU 21 HA GLU 21 -6.663 16.808 12.293 176 HB2 GLU 21 HB2 GLU 21 -7.858 19.082 11.781 177 HB3 GLU 21 HB3 GLU 21 -8.082 18.388 10.181 178 HG2 GLU 21 HG2 GLU 21 -10.035 17.820 11.263 179 HG3 GLU 21 HG3 GLU 21 -9.059 16.364 11.440 180 H ALA 22 H ALA 22 -6.841 14.858 11.386 181 HA ALA 22 HA ALA 22 -5.471 14.164 9.053 182 HB1 ALA 22 HB1 ALA 22 -7.290 12.808 10.926 183 HB2 ALA 22 HB2 ALA 22 -7.196 12.102 9.312 184 HB3 ALA 22 HB3 ALA 22 -5.733 12.293 10.277 185 H ASP 23 H ASP 23 -8.567 15.546 9.456 186 HA ASP 23 HA ASP 23 -9.486 14.674 6.821 187 HB2 ASP 23 HB2 ASP 23 -10.850 16.245 9.015 188 HB3 ASP 23 HB3 ASP 23 -11.589 15.889 7.456 189 H GLN 24 H GLN 24 -8.239 17.462 8.486 190 HA GLN 24 HA GLN 24 -8.946 19.323 6.404 191 HB2 GLN 24 HB2 GLN 24 -7.179 19.554 8.840 192 HB3 GLN 24 HB3 GLN 24 -7.444 20.878 7.713 193 HG2 GLN 24 HG2 GLN 24 -9.842 20.800 8.193 194 HG3 GLN 24 HG3 GLN 24 -9.563 19.487 9.336 195 HE21 GLN 24 HE21 GLN 24 -9.760 20.213 11.322 196 HE22 GLN 24 HE22 GLN 24 -9.142 21.706 11.930 197 H VAL 25 H VAL 25 -6.166 17.393 7.289 198 HA VAL 25 HA VAL 25 -4.110 18.572 5.922 199 HB VAL 25 HB VAL 25 -3.333 16.165 5.431 200 HG11 VAL 25 HG11 VAL 25 -3.920 17.139 8.221 201 HG12 VAL 25 HG12 VAL 25 -2.865 15.772 7.856 202 HG13 VAL 25 HG13 VAL 25 -2.448 17.387 7.282 203 HG21 VAL 25 HG21 VAL 25 -5.341 15.271 7.417 204 HG22 VAL 25 HG22 VAL 25 -5.891 15.480 5.755 205 HG23 VAL 25 HG23 VAL 25 -4.562 14.378 6.111 206 H THR 26 H THR 26 -4.317 19.474 3.963 207 HA THR 26 HA THR 26 -5.278 17.757 1.768 208 HB THR 26 HB THR 26 -6.938 19.492 2.176 209 HG1 THR 26 HG1 THR 26 -7.078 19.462 0.071 210 HG21 THR 26 HG21 THR 26 -6.456 21.826 2.078 211 HG22 THR 26 HG22 THR 26 -4.792 21.524 1.577 212 HG23 THR 26 HG23 THR 26 -5.310 21.111 3.211 213 H ASP 27 H ASP 27 -4.418 18.373 -0.374 214 HA ASP 27 HA ASP 27 -1.608 18.538 -0.336 215 HB2 ASP 27 HB2 ASP 27 -1.703 18.427 -2.698 216 HB3 ASP 27 HB3 ASP 27 -3.094 17.505 -2.134 217 H GLN 28 H GLN 28 -3.989 20.954 -0.164 218 HA GLN 28 HA GLN 28 -2.164 23.033 -1.129 219 HB2 GLN 28 HB2 GLN 28 -5.067 22.743 -0.968 220 HB3 GLN 28 HB3 GLN 28 -4.500 24.300 -0.380 221 HG2 GLN 28 HG2 GLN 28 -3.352 24.700 -2.481 222 HG3 GLN 28 HG3 GLN 28 -3.859 23.118 -3.072 223 HE21 GLN 28 HE21 GLN 28 -6.095 22.760 -3.463 224 HE22 GLN 28 HE22 GLN 28 -7.150 24.083 -3.807 225 H LEU 29 H LEU 29 -2.145 21.488 1.527 226 HA LEU 29 HA LEU 29 -1.792 23.869 3.205 227 HB2 LEU 29 HB2 LEU 29 -3.423 21.439 3.787 228 HB3 LEU 29 HB3 LEU 29 -2.607 22.270 5.110 229 HG LEU 29 HG LEU 29 -4.655 23.487 3.257 230 HD11 LEU 29 HD11 LEU 29 -6.139 22.522 4.599 231 HD12 LEU 29 HD12 LEU 29 -5.549 23.575 5.885 232 HD13 LEU 29 HD13 LEU 29 -4.880 21.954 5.696 233 HD21 LEU 29 HD21 LEU 29 -3.420 25.316 3.858 234 HD22 LEU 29 HD22 LEU 29 -2.886 24.597 5.378 235 HD23 LEU 29 HD23 LEU 29 -4.527 25.228 5.229 236 H ASN 30 H ASN 30 0.449 23.455 2.516 237 HA ASN 30 HA ASN 30 1.877 21.136 3.128 238 HB2 ASN 30 HB2 ASN 30 2.790 22.876 1.684 239 HB3 ASN 30 HB3 ASN 30 2.841 24.003 3.037 240 HD21 ASN 30 HD21 ASN 30 5.124 23.955 2.039 241 HD22 ASN 30 HD22 ASN 30 6.241 22.886 2.809 242 H ILE 31 H ILE 31 2.300 20.214 5.012 243 HA ILE 31 HA ILE 31 1.679 21.377 7.500 244 HB ILE 31 HB ILE 31 3.417 18.987 6.882 245 HG12 ILE 31 HG12 ILE 31 1.092 18.067 7.996 246 HG13 ILE 31 HG13 ILE 31 0.517 19.445 7.064 247 HG21 ILE 31 HG21 ILE 31 2.338 20.042 9.481 248 HG22 ILE 31 HG22 ILE 31 2.846 18.367 9.271 249 HG23 ILE 31 HG23 ILE 31 4.010 19.675 9.059 250 HD11 ILE 31 HD11 ILE 31 0.870 18.422 5.103 251 HD12 ILE 31 HD12 ILE 31 2.367 17.663 5.647 252 HD13 ILE 31 HD13 ILE 31 0.811 16.956 6.082 253 H LYS 32 H LYS 32 4.685 21.112 5.694 254 HA LYS 32 HA LYS 32 6.570 21.732 7.584 255 HB2 LYS 32 HB2 LYS 32 7.170 21.225 5.289 256 HB3 LYS 32 HB3 LYS 32 6.405 22.706 4.727 257 HG2 LYS 32 HG2 LYS 32 8.059 24.004 6.034 258 HG3 LYS 32 HG3 LYS 32 8.861 22.489 6.456 259 HD2 LYS 32 HD2 LYS 32 10.033 22.642 4.572 260 HD3 LYS 32 HD3 LYS 32 8.530 22.452 3.665 261 HE2 LYS 32 HE2 LYS 32 8.246 24.763 3.434 262 HE3 LYS 32 HE3 LYS 32 9.386 25.123 4.729 263 HZ1 LYS 32 HZ1 LYS 32 10.184 25.502 2.381 264 HZ2 LYS 32 HZ2 LYS 32 10.224 23.821 2.206 265 HZ3 LYS 32 HZ3 LYS 32 11.197 24.573 3.368 266 H ASP 33 H ASP 33 4.689 24.067 5.660 267 HA ASP 33 HA ASP 33 5.644 26.264 7.295 268 HB2 ASP 33 HB2 ASP 33 3.928 26.050 4.841 269 HB3 ASP 33 HB3 ASP 33 3.972 27.547 5.768 270 H ASP 34 H ASP 34 2.517 24.748 6.537 271 HA ASP 34 HA ASP 34 0.829 26.258 8.074 272 HB2 ASP 34 HB2 ASP 34 0.149 24.363 6.601 273 HB3 ASP 34 HB3 ASP 34 0.711 23.245 7.841 274 H LEU 35 H LEU 35 2.520 23.319 9.183 275 HA LEU 35 HA LEU 35 1.862 23.935 11.939 276 HB2 LEU 35 HB2 LEU 35 3.116 21.642 10.507 277 HB3 LEU 35 HB3 LEU 35 3.405 21.826 12.235 278 HG LEU 35 HG LEU 35 1.564 20.252 11.659 279 HD11 LEU 35 HD11 LEU 35 0.737 22.698 13.216 280 HD12 LEU 35 HD12 LEU 35 1.682 21.348 13.843 281 HD13 LEU 35 HD13 LEU 35 0.014 21.093 13.332 282 HD21 LEU 35 HD21 LEU 35 -0.596 21.246 10.968 283 HD22 LEU 35 HD22 LEU 35 0.647 21.349 9.722 284 HD23 LEU 35 HD23 LEU 35 0.235 22.774 10.677 285 H ASN 36 H ASN 36 4.382 24.573 9.754 286 HA ASN 36 HA ASN 36 6.363 25.673 9.970 287 HB2 ASN 36 HB2 ASN 36 4.799 26.668 12.031 288 HB3 ASN 36 HB3 ASN 36 6.282 26.177 12.844 289 HD21 ASN 36 HD21 ASN 36 4.784 28.472 10.833 290 HD22 ASN 36 HD22 ASN 36 6.163 29.474 10.552 291 H ALA 37 H ALA 37 6.068 22.792 10.511 292 HA ALA 37 HA ALA 37 7.543 21.796 12.596 293 HB1 ALA 37 HB1 ALA 37 7.889 19.836 11.315 294 HB2 ALA 37 HB2 ALA 37 6.335 20.498 10.805 295 HB3 ALA 37 HB3 ALA 37 7.763 20.722 9.795 296 H ASP 38 H ASP 38 9.699 21.391 13.012 297 HA ASP 38 HA ASP 38 11.563 23.292 12.077 298 HB2 ASP 38 HB2 ASP 38 11.580 21.001 13.930 299 HB3 ASP 38 HB3 ASP 38 13.136 21.357 13.185 300 H SER 39 H SER 39 13.786 22.564 11.241 301 HA SER 39 HA SER 39 13.357 21.294 8.701 302 HB2 SER 39 HB2 SER 39 15.719 21.829 8.279 303 HB3 SER 39 HB3 SER 39 14.858 23.231 8.913 304 HG SER 39 HG SER 39 16.818 23.003 9.991 305 H ILE 40 H ILE 40 15.323 20.564 11.572 306 HA ILE 40 HA ILE 40 16.537 18.237 10.745 307 HB ILE 40 HB ILE 40 15.452 18.813 13.504 308 HG12 ILE 40 HG12 ILE 40 16.969 20.561 12.720 309 HG13 ILE 40 HG13 ILE 40 17.742 19.602 13.977 310 HG21 ILE 40 HG21 ILE 40 16.675 16.482 12.443 311 HG22 ILE 40 HG22 ILE 40 17.817 17.249 13.546 312 HG23 ILE 40 HG23 ILE 40 16.203 16.816 14.109 313 HD11 ILE 40 HD11 ILE 40 18.464 18.342 11.623 314 HD12 ILE 40 HD12 ILE 40 18.547 20.063 11.247 315 HD13 ILE 40 HD13 ILE 40 19.466 19.410 12.603 316 H SER 41 H SER 41 13.313 18.617 12.175 317 HA SER 41 HA SER 41 12.576 15.979 12.456 318 HB2 SER 41 HB2 SER 41 10.548 17.868 11.346 319 HB3 SER 41 HB3 SER 41 10.412 16.737 12.693 320 HG SER 41 HG SER 41 10.762 18.415 13.897 321 H VAL 42 H VAL 42 12.681 17.931 9.537 322 HA VAL 42 HA VAL 42 11.236 16.347 7.786 323 HB VAL 42 HB VAL 42 13.766 17.871 7.148 324 HG11 VAL 42 HG11 VAL 42 13.485 16.852 5.164 325 HG12 VAL 42 HG12 VAL 42 11.814 16.405 5.516 326 HG13 VAL 42 HG13 VAL 42 12.191 18.030 4.945 327 HG21 VAL 42 HG21 VAL 42 12.253 19.380 8.182 328 HG22 VAL 42 HG22 VAL 42 12.134 19.656 6.444 329 HG23 VAL 42 HG23 VAL 42 10.884 18.732 7.278 330 H MET 43 H MET 43 14.589 16.019 8.848 331 HA MET 43 HA MET 43 15.368 13.994 7.071 332 HB2 MET 43 HB2 MET 43 16.650 15.435 8.960 333 HB3 MET 43 HB3 MET 43 16.482 13.906 9.812 334 HG2 MET 43 HG2 MET 43 18.585 13.888 8.727 335 HG3 MET 43 HG3 MET 43 17.530 12.784 7.848 336 HE1 MET 43 HE1 MET 43 19.772 13.175 5.984 337 HE2 MET 43 HE2 MET 43 18.172 12.556 5.573 338 HE3 MET 43 HE3 MET 43 18.932 13.781 4.557 339 H GLU 44 H GLU 44 13.433 13.918 9.949 340 HA GLU 44 HA GLU 44 13.627 11.039 10.234 341 HB2 GLU 44 HB2 GLU 44 11.804 12.973 11.673 342 HB3 GLU 44 HB3 GLU 44 12.140 11.309 12.132 343 HG2 GLU 44 HG2 GLU 44 14.589 12.787 11.906 344 HG3 GLU 44 HG3 GLU 44 13.464 13.620 12.977 345 H PHE 45 H PHE 45 11.056 13.395 9.508 346 HA PHE 45 HA PHE 45 9.013 11.588 8.980 347 HB2 PHE 45 HB2 PHE 45 9.505 14.291 7.714 348 HB3 PHE 45 HB3 PHE 45 7.983 13.407 7.650 349 HD1 PHE 45 HD1 PHE 45 7.443 12.484 10.247 350 HD2 PHE 45 HD2 PHE 45 9.366 16.104 9.100 351 HE1 PHE 45 HE1 PHE 45 6.751 13.520 12.369 352 HE2 PHE 45 HE2 PHE 45 8.679 17.145 11.221 353 HZ PHE 45 HZ PHE 45 7.370 15.853 12.859 354 H VAL 46 H VAL 46 11.655 12.671 6.953 355 HA VAL 46 HA VAL 46 10.616 11.488 4.548 356 HB VAL 46 HB VAL 46 12.170 13.445 4.551 357 HG11 VAL 46 HG11 VAL 46 13.641 12.422 6.361 358 HG12 VAL 46 HG12 VAL 46 14.369 11.464 5.069 359 HG13 VAL 46 HG13 VAL 46 14.461 13.225 5.022 360 HG21 VAL 46 HG21 VAL 46 11.822 12.128 2.536 361 HG22 VAL 46 HG22 VAL 46 13.494 12.681 2.630 362 HG23 VAL 46 HG23 VAL 46 13.095 11.010 3.027 363 H LEU 47 H LEU 47 12.445 10.402 7.248 364 HA LEU 47 HA LEU 47 13.644 8.155 5.892 365 HB2 LEU 47 HB2 LEU 47 14.490 9.447 7.982 366 HB3 LEU 47 HB3 LEU 47 13.389 8.391 8.864 367 HG LEU 47 HG LEU 47 14.802 6.589 7.387 368 HD11 LEU 47 HD11 LEU 47 16.767 8.710 8.236 369 HD12 LEU 47 HD12 LEU 47 16.280 8.402 6.569 370 HD13 LEU 47 HD13 LEU 47 17.133 7.158 7.482 371 HD21 LEU 47 HD21 LEU 47 14.930 7.628 10.158 372 HD22 LEU 47 HD22 LEU 47 16.244 6.577 9.629 373 HD23 LEU 47 HD23 LEU 47 14.576 6.004 9.568 374 H GLU 48 H GLU 48 10.866 8.752 7.970 375 HA GLU 48 HA GLU 48 10.180 6.016 8.341 376 HB2 GLU 48 HB2 GLU 48 7.938 6.981 9.019 377 HB3 GLU 48 HB3 GLU 48 9.328 7.549 9.933 378 HG2 GLU 48 HG2 GLU 48 9.336 9.629 8.791 379 HG3 GLU 48 HG3 GLU 48 8.152 9.058 7.617 380 H LEU 49 H LEU 49 9.236 8.493 6.016 381 HA LEU 49 HA LEU 49 7.210 6.935 4.759 382 HB2 LEU 49 HB2 LEU 49 8.766 9.276 3.671 383 HB3 LEU 49 HB3 LEU 49 7.264 8.631 3.013 384 HG LEU 49 HG LEU 49 7.353 9.675 5.817 385 HD11 LEU 49 HD11 LEU 49 7.166 11.869 5.206 386 HD12 LEU 49 HD12 LEU 49 6.582 11.486 3.587 387 HD13 LEU 49 HD13 LEU 49 8.292 11.299 3.974 388 HD21 LEU 49 HD21 LEU 49 5.034 9.955 5.536 389 HD22 LEU 49 HD22 LEU 49 5.404 8.387 4.817 390 HD23 LEU 49 HD23 LEU 49 5.144 9.792 3.783 391 H GLU 50 H GLU 50 10.559 7.743 3.856 392 HA GLU 50 HA GLU 50 10.617 6.212 1.497 393 HB2 GLU 50 HB2 GLU 50 12.938 6.598 1.456 394 HB3 GLU 50 HB3 GLU 50 12.263 8.009 2.259 395 HG2 GLU 50 HG2 GLU 50 13.907 7.621 3.733 396 HG3 GLU 50 HG3 GLU 50 12.756 6.463 4.396 397 H ASP 51 H ASP 51 10.966 5.356 4.839 398 HA ASP 51 HA ASP 51 12.117 2.760 4.276 399 HB2 ASP 51 HB2 ASP 51 12.748 3.935 6.329 400 HB3 ASP 51 HB3 ASP 51 11.068 3.940 6.857 401 H GLU 52 H GLU 52 9.099 3.863 5.833 402 HA GLU 52 HA GLU 52 7.802 1.436 5.976 403 HB2 GLU 52 HB2 GLU 52 7.045 3.676 6.904 404 HB3 GLU 52 HB3 GLU 52 6.406 4.024 5.304 405 HG2 GLU 52 HG2 GLU 52 4.640 3.227 6.719 406 HG3 GLU 52 HG3 GLU 52 4.973 2.032 5.467 407 H PHE 53 H PHE 53 7.359 3.852 3.386 408 HA PHE 53 HA PHE 53 5.873 2.124 1.716 409 HB2 PHE 53 HB2 PHE 53 7.488 4.510 0.812 410 HB3 PHE 53 HB3 PHE 53 6.060 3.827 0.042 411 HD1 PHE 53 HD1 PHE 53 4.394 3.440 2.524 412 HD2 PHE 53 HD2 PHE 53 6.757 6.712 1.172 413 HE1 PHE 53 HE1 PHE 53 2.967 4.991 3.794 414 HE2 PHE 53 HE2 PHE 53 5.334 8.268 2.440 415 HZ PHE 53 HZ PHE 53 3.437 7.408 3.754 416 H GLY 54 H GLY 54 9.279 2.621 2.182 417 HA2 GLY 54 HA2 GLY 54 11.057 1.347 1.447 418 HA3 GLY 54 HA3 GLY 54 9.907 0.289 0.643 419 H THR 55 H THR 55 10.900 3.698 0.295 420 HA THR 55 HA THR 55 11.642 3.147 -2.482 421 HB THR 55 HB THR 55 9.300 3.956 -2.527 422 HG1 THR 55 HG1 THR 55 9.704 5.304 -4.206 423 HG21 THR 55 HG21 THR 55 8.751 6.209 -1.870 424 HG22 THR 55 HG22 THR 55 10.427 6.530 -1.422 425 HG23 THR 55 HG23 THR 55 9.469 5.379 -0.490 426 H GLU 56 H GLU 56 12.869 4.945 -3.466 427 HA GLU 56 HA GLU 56 14.626 6.148 -1.466 428 HB2 GLU 56 HB2 GLU 56 16.154 6.557 -3.336 429 HB3 GLU 56 HB3 GLU 56 15.678 4.867 -3.262 430 HG2 GLU 56 HG2 GLU 56 13.812 6.069 -4.942 431 HG3 GLU 56 HG3 GLU 56 15.364 6.772 -5.394 432 H ILE 57 H ILE 57 14.584 8.242 -0.980 433 HA ILE 57 HA ILE 57 13.010 10.034 -2.708 434 HB ILE 57 HB ILE 57 13.602 10.287 0.244 435 HG12 ILE 57 HG12 ILE 57 10.987 9.755 -1.182 436 HG13 ILE 57 HG13 ILE 57 11.950 8.526 -0.369 437 HG21 ILE 57 HG21 ILE 57 12.883 12.254 -1.686 438 HG22 ILE 57 HG22 ILE 57 11.523 12.013 -0.590 439 HG23 ILE 57 HG23 ILE 57 13.108 12.441 0.053 440 HD11 ILE 57 HD11 ILE 57 10.416 10.800 0.823 441 HD12 ILE 57 HD12 ILE 57 10.298 9.074 1.167 442 HD13 ILE 57 HD13 ILE 57 11.703 9.989 1.714 443 H SER 58 H SER 58 14.156 11.429 -3.856 444 HA SER 58 HA SER 58 16.898 11.813 -3.684 445 HB2 SER 58 HB2 SER 58 14.813 12.739 -5.325 446 HB3 SER 58 HB3 SER 58 15.611 14.188 -4.713 447 HG SER 58 HG SER 58 16.484 12.368 -6.534 448 H ASP 59 H ASP 59 17.979 13.979 -3.296 449 HA ASP 59 HA ASP 59 17.394 14.792 -0.591 450 HB2 ASP 59 HB2 ASP 59 19.600 15.328 -2.545 451 HB3 ASP 59 HB3 ASP 59 19.417 16.375 -1.140 452 H GLU 60 H GLU 60 17.543 16.391 -3.764 453 HA GLU 60 HA GLU 60 16.757 18.939 -2.859 454 HB2 GLU 60 HB2 GLU 60 16.176 19.350 -5.261 455 HB3 GLU 60 HB3 GLU 60 17.804 18.738 -5.002 456 HG2 GLU 60 HG2 GLU 60 16.499 16.423 -5.386 457 HG3 GLU 60 HG3 GLU 60 15.508 17.503 -6.367 458 H ASP 61 H ASP 61 14.877 16.302 -4.328 459 HA ASP 61 HA ASP 61 12.385 17.579 -4.286 460 HB2 ASP 61 HB2 ASP 61 13.397 14.947 -4.841 461 HB3 ASP 61 HB3 ASP 61 11.940 14.820 -3.860 462 H ALA 62 H ALA 62 14.188 15.963 -1.785 463 HA ALA 62 HA ALA 62 12.238 15.338 0.061 464 HB1 ALA 62 HB1 ALA 62 14.898 15.179 0.083 465 HB2 ALA 62 HB2 ALA 62 14.701 16.589 1.124 466 HB3 ALA 62 HB3 ALA 62 13.926 15.064 1.551 467 H GLU 63 H GLU 63 13.273 18.446 -1.001 468 HA GLU 63 HA GLU 63 12.156 19.835 1.291 469 HB2 GLU 63 HB2 GLU 63 14.220 20.627 0.104 470 HB3 GLU 63 HB3 GLU 63 13.211 21.007 -1.285 471 HG2 GLU 63 HG2 GLU 63 11.909 22.554 0.138 472 HG3 GLU 63 HG3 GLU 63 13.033 22.231 1.458 473 H LYS 64 H LYS 64 11.311 19.054 -2.008 474 HA LYS 64 HA LYS 64 8.854 20.643 -1.799 475 HB2 LYS 64 HB2 LYS 64 8.630 20.349 -4.194 476 HB3 LYS 64 HB3 LYS 64 10.247 20.936 -3.824 477 HG2 LYS 64 HG2 LYS 64 11.201 19.157 -4.749 478 HG3 LYS 64 HG3 LYS 64 10.139 18.043 -3.885 479 HD2 LYS 64 HD2 LYS 64 8.735 17.833 -5.635 480 HD3 LYS 64 HD3 LYS 64 8.853 19.542 -6.062 481 HE2 LYS 64 HE2 LYS 64 11.360 18.231 -6.545 482 HE3 LYS 64 HE3 LYS 64 10.059 17.351 -7.347 483 HZ1 LYS 64 HZ1 LYS 64 10.173 20.274 -7.606 484 HZ2 LYS 64 HZ2 LYS 64 9.562 19.123 -8.684 485 HZ3 LYS 64 HZ3 LYS 64 11.233 19.332 -8.528 486 H ILE 65 H ILE 65 9.166 18.231 -0.271 487 HA ILE 65 HA ILE 65 6.820 16.812 -1.250 488 HB ILE 65 HB ILE 65 7.817 14.601 -0.928 489 HG12 ILE 65 HG12 ILE 65 10.589 15.204 -1.058 490 HG13 ILE 65 HG13 ILE 65 9.915 16.130 0.279 491 HG21 ILE 65 HG21 ILE 65 9.267 16.381 -2.880 492 HG22 ILE 65 HG22 ILE 65 9.318 14.619 -2.913 493 HG23 ILE 65 HG23 ILE 65 7.790 15.462 -3.165 494 HD11 ILE 65 HD11 ILE 65 9.025 13.351 0.193 495 HD12 ILE 65 HD12 ILE 65 10.762 13.554 0.422 496 HD13 ILE 65 HD13 ILE 65 9.630 14.314 1.541 497 H GLU 66 H GLU 66 7.230 18.602 0.936 498 HA GLU 66 HA GLU 66 6.998 16.800 3.251 499 HB2 GLU 66 HB2 GLU 66 7.535 19.775 3.232 500 HB3 GLU 66 HB3 GLU 66 7.520 18.731 4.646 501 HG2 GLU 66 HG2 GLU 66 9.459 17.546 3.848 502 HG3 GLU 66 HG3 GLU 66 9.441 18.467 2.345 503 H THR 67 H THR 67 4.938 17.619 1.186 504 HA THR 67 HA THR 67 2.929 18.647 3.085 505 HB THR 67 HB THR 67 1.971 20.014 1.522 506 HG1 THR 67 HG1 THR 67 2.286 19.595 -0.799 507 HG21 THR 67 HG21 THR 67 3.614 21.366 0.666 508 HG22 THR 67 HG22 THR 67 4.567 20.011 0.062 509 HG23 THR 67 HG23 THR 67 4.575 20.398 1.782 510 H VAL 68 H VAL 68 0.692 17.966 2.596 511 HA VAL 68 HA VAL 68 0.361 15.243 2.560 512 HB VAL 68 HB VAL 68 -1.668 17.215 1.503 513 HG11 VAL 68 HG11 VAL 68 -3.060 15.493 1.362 514 HG12 VAL 68 HG12 VAL 68 -1.731 14.409 1.774 515 HG13 VAL 68 HG13 VAL 68 -2.756 15.072 3.047 516 HG21 VAL 68 HG21 VAL 68 -2.489 17.146 3.907 517 HG22 VAL 68 HG22 VAL 68 -0.919 16.453 4.314 518 HG23 VAL 68 HG23 VAL 68 -1.014 18.064 3.603 519 H GLY 69 H GLY 69 -0.029 17.458 -0.206 520 HA2 GLY 69 HA2 GLY 69 -0.397 15.256 -2.042 521 HA3 GLY 69 HA3 GLY 69 -0.328 16.962 -2.456 522 H ALA 70 H ALA 70 2.144 17.648 -1.397 523 HA ALA 70 HA ALA 70 3.883 16.923 -3.458 524 HB1 ALA 70 HB1 ALA 70 4.918 17.820 -0.799 525 HB2 ALA 70 HB2 ALA 70 5.477 18.240 -2.418 526 HB3 ALA 70 HB3 ALA 70 3.968 18.916 -1.804 527 H ALA 71 H ALA 71 3.020 15.235 -0.619 528 HA ALA 71 HA ALA 71 5.445 13.642 -0.523 529 HB1 ALA 71 HB1 ALA 71 4.216 12.422 1.296 530 HB2 ALA 71 HB2 ALA 71 4.483 14.140 1.591 531 HB3 ALA 71 HB3 ALA 71 2.896 13.570 1.076 532 H VAL 72 H VAL 72 1.992 12.759 -0.720 533 HA VAL 72 HA VAL 72 2.369 10.172 -1.660 534 HB VAL 72 HB VAL 72 0.215 10.881 -0.824 535 HG11 VAL 72 HG11 VAL 72 0.448 13.210 -1.850 536 HG12 VAL 72 HG12 VAL 72 -0.225 12.496 -3.317 537 HG13 VAL 72 HG13 VAL 72 -1.162 12.492 -1.822 538 HG21 VAL 72 HG21 VAL 72 -1.143 9.698 -2.300 539 HG22 VAL 72 HG22 VAL 72 -0.273 10.278 -3.720 540 HG23 VAL 72 HG23 VAL 72 0.471 9.085 -2.656 541 H ASP 73 H ASP 73 1.990 13.193 -3.462 542 HA ASP 73 HA ASP 73 1.858 12.090 -6.037 543 HB2 ASP 73 HB2 ASP 73 1.315 14.450 -5.483 544 HB3 ASP 73 HB3 ASP 73 3.032 14.762 -5.238 545 H TYR 74 H TYR 74 4.513 12.539 -3.873 546 HA TYR 74 HA TYR 74 6.506 12.191 -5.962 547 HB2 TYR 74 HB2 TYR 74 6.915 13.758 -4.083 548 HB3 TYR 74 HB3 TYR 74 6.872 12.398 -2.966 549 HD1 TYR 74 HD2 TYR 74 8.666 13.571 -6.022 550 HD2 TYR 74 HD1 TYR 74 8.855 11.340 -2.404 551 HE1 TYR 74 HE2 TYR 74 11.074 13.213 -6.375 552 HE2 TYR 74 HE1 TYR 74 11.264 10.976 -2.747 553 HH TYR 74 HH TYR 74 12.819 11.622 -5.691 554 H ILE 75 H ILE 75 5.539 10.504 -2.975 555 HA ILE 75 HA ILE 75 7.161 8.256 -3.293 556 HB ILE 75 HB ILE 75 4.435 8.336 -1.994 557 HG12 ILE 75 HG12 ILE 75 5.895 10.075 -1.084 558 HG13 ILE 75 HG13 ILE 75 5.668 8.786 0.093 559 HG21 ILE 75 HG21 ILE 75 6.125 6.181 -2.483 560 HG22 ILE 75 HG22 ILE 75 6.400 6.596 -0.792 561 HG23 ILE 75 HG23 ILE 75 4.769 6.232 -1.357 562 HD11 ILE 75 HD11 ILE 75 7.941 8.055 -1.325 563 HD12 ILE 75 HD12 ILE 75 8.090 9.796 -1.082 564 HD13 ILE 75 HD13 ILE 75 7.868 8.727 0.303 565 H VAL 76 H VAL 76 3.889 8.904 -4.471 566 HA VAL 76 HA VAL 76 3.484 6.309 -5.573 567 HB VAL 76 HB VAL 76 2.105 8.925 -6.188 568 HG11 VAL 76 HG11 VAL 76 1.657 7.602 -8.054 569 HG12 VAL 76 HG12 VAL 76 1.578 6.118 -7.101 570 HG13 VAL 76 HG13 VAL 76 0.278 7.307 -6.996 571 HG21 VAL 76 HG21 VAL 76 0.391 8.202 -4.693 572 HG22 VAL 76 HG22 VAL 76 1.143 6.618 -4.505 573 HG23 VAL 76 HG23 VAL 76 1.931 8.051 -3.846 574 H SER 77 H SER 77 3.977 9.455 -7.190 575 HA SER 77 HA SER 77 4.304 8.534 -9.767 576 HB2 SER 77 HB2 SER 77 4.168 10.945 -9.005 577 HB3 SER 77 HB3 SER 77 5.880 10.834 -8.598 578 HG SER 77 HG SER 77 4.917 10.162 -11.167 579 H ASN 78 H ASN 78 6.565 8.476 -7.113 580 HA ASN 78 HA ASN 78 8.801 7.734 -8.800 581 HB2 ASN 78 HB2 ASN 78 9.117 9.142 -6.775 582 HB3 ASN 78 HB3 ASN 78 8.608 7.780 -5.780 583 HD21 ASN 78 HD21 ASN 78 10.752 8.057 -8.591 584 HD22 ASN 78 HD22 ASN 78 12.122 7.330 -7.831 585 H SER 79 H SER 79 6.468 6.198 -6.694 586 HA SER 79 HA SER 79 7.651 3.743 -6.242 587 HB2 SER 79 HB2 SER 79 5.578 4.266 -5.158 588 HB3 SER 79 HB3 SER 79 4.747 4.446 -6.703 589 HG SER 79 HG SER 79 4.889 2.255 -7.023 Start of MODEL 8 1 H1 MET 1 H MET 1 2.171 0.264 1.975 2 HA MET 1 HA MET 1 3.628 -0.032 -0.183 3 HB2 MET 1 HB2 MET 1 0.926 -1.352 0.126 4 HB3 MET 1 HB3 MET 1 2.204 -1.912 -0.944 5 HG2 MET 1 HG2 MET 1 3.032 -3.118 0.706 6 HG3 MET 1 HG3 MET 1 3.345 -1.641 1.614 7 HE1 MET 1 HE1 MET 1 1.118 -0.985 3.955 8 HE2 MET 1 HE2 MET 1 1.966 -2.385 4.612 9 HE3 MET 1 HE3 MET 1 2.808 -1.268 3.536 10 H THR 2 H THR 2 0.121 0.376 -0.701 11 HA THR 2 HA THR 2 0.654 1.375 -3.385 12 HB THR 2 HB THR 2 -1.137 -0.318 -3.004 13 HG1 THR 2 HG1 THR 2 -2.463 0.635 -4.488 14 HG21 THR 2 HG21 THR 2 -1.841 0.928 -0.812 15 HG22 THR 2 HG22 THR 2 -3.057 0.108 -1.791 16 HG23 THR 2 HG23 THR 2 -2.866 1.857 -1.904 17 H ARG 3 H ARG 3 -0.914 3.205 -4.096 18 HA ARG 3 HA ARG 3 -0.145 5.567 -2.860 19 HB2 ARG 3 HB2 ARG 3 -1.979 6.631 -4.179 20 HB3 ARG 3 HB3 ARG 3 -0.929 5.589 -5.130 21 HG2 ARG 3 HG2 ARG 3 -2.631 3.787 -4.916 22 HG3 ARG 3 HG3 ARG 3 -3.694 4.955 -4.130 23 HD2 ARG 3 HD2 ARG 3 -2.738 6.158 -6.499 24 HD3 ARG 3 HD3 ARG 3 -3.241 4.521 -6.917 25 HE ARG 3 HE ARG 3 -5.272 5.564 -5.375 26 HH11 ARG 3 HH11 ARG 3 -3.706 6.361 -8.381 27 HH12 ARG 3 HH12 ARG 3 -5.116 7.093 -9.072 28 HH21 ARG 3 HH21 ARG 3 -7.135 6.525 -6.274 29 HH22 ARG 3 HH22 ARG 3 -7.066 7.186 -7.873 30 H GLU 4 H GLU 4 -3.133 3.703 -2.473 31 HA GLU 4 HA GLU 4 -4.491 5.492 -0.804 32 HB2 GLU 4 HB2 GLU 4 -4.732 2.671 -1.555 33 HB3 GLU 4 HB3 GLU 4 -5.324 3.017 0.063 34 HG2 GLU 4 HG2 GLU 4 -6.867 4.639 -0.775 35 HG3 GLU 4 HG3 GLU 4 -6.182 4.521 -2.395 36 H GLU 5 H GLU 5 -2.713 2.550 0.161 37 HA GLU 5 HA GLU 5 -2.813 2.872 2.889 38 HB2 GLU 5 HB2 GLU 5 -0.694 1.677 1.117 39 HB3 GLU 5 HB3 GLU 5 -0.547 1.659 2.869 40 HG2 GLU 5 HG2 GLU 5 -3.024 0.611 1.580 41 HG3 GLU 5 HG3 GLU 5 -1.565 -0.377 1.619 42 H VAL 6 H VAL 6 -0.531 4.312 0.606 43 HA VAL 6 HA VAL 6 1.208 5.483 2.466 44 HB VAL 6 HB VAL 6 0.478 6.412 -0.314 45 HG11 VAL 6 HG11 VAL 6 3.082 7.222 0.361 46 HG12 VAL 6 HG12 VAL 6 1.668 8.244 0.089 47 HG13 VAL 6 HG13 VAL 6 2.053 7.683 1.717 48 HG21 VAL 6 HG21 VAL 6 1.659 4.095 0.317 49 HG22 VAL 6 HG22 VAL 6 2.063 5.013 -1.134 50 HG23 VAL 6 HG23 VAL 6 3.078 5.143 0.302 51 H LEU 7 H LEU 7 -1.569 6.919 0.752 52 HA LEU 7 HA LEU 7 -1.491 9.437 1.915 53 HB2 LEU 7 HB2 LEU 7 -2.921 9.105 0.074 54 HB3 LEU 7 HB3 LEU 7 -3.762 7.775 0.867 55 HG LEU 7 HG LEU 7 -4.006 10.329 2.275 56 HD11 LEU 7 HD11 LEU 7 -3.952 10.878 -0.258 57 HD12 LEU 7 HD12 LEU 7 -5.249 11.530 0.743 58 HD13 LEU 7 HD13 LEU 7 -5.545 10.123 -0.279 59 HD21 LEU 7 HD21 LEU 7 -5.980 9.449 2.892 60 HD22 LEU 7 HD22 LEU 7 -5.292 7.943 2.283 61 HD23 LEU 7 HD23 LEU 7 -6.364 8.900 1.260 62 H GLN 8 H GLN 8 -3.155 6.510 3.033 63 HA GLN 8 HA GLN 8 -4.419 7.648 5.263 64 HB2 GLN 8 HB2 GLN 8 -3.589 4.852 4.554 65 HB3 GLN 8 HB3 GLN 8 -4.276 5.203 6.135 66 HG2 GLN 8 HG2 GLN 8 -5.767 6.231 3.809 67 HG3 GLN 8 HG3 GLN 8 -5.732 4.480 4.008 68 HE21 GLN 8 HE21 GLN 8 -5.912 4.011 6.576 69 HE22 GLN 8 HE22 GLN 8 -7.335 4.700 7.271 70 H LYS 9 H LYS 9 -1.489 5.609 5.234 71 HA LYS 9 HA LYS 9 -0.733 5.911 7.856 72 HB2 LYS 9 HB2 LYS 9 0.512 5.050 5.411 73 HB3 LYS 9 HB3 LYS 9 1.661 5.982 6.361 74 HG2 LYS 9 HG2 LYS 9 1.785 3.582 6.833 75 HG3 LYS 9 HG3 LYS 9 1.335 4.521 8.259 76 HD2 LYS 9 HD2 LYS 9 -1.007 3.714 6.784 77 HD3 LYS 9 HD3 LYS 9 -0.008 2.315 7.184 78 HE2 LYS 9 HE2 LYS 9 -0.521 4.339 9.303 79 HE3 LYS 9 HE3 LYS 9 -1.833 3.250 8.856 80 HZ1 LYS 9 HZ1 LYS 9 -0.359 2.486 10.719 81 HZ2 LYS 9 HZ2 LYS 9 0.872 2.283 9.577 82 HZ3 LYS 9 HZ3 LYS 9 -0.554 1.381 9.451 83 H VAL 10 H VAL 10 0.376 7.923 5.127 84 HA VAL 10 HA VAL 10 1.939 9.727 6.486 85 HB VAL 10 HB VAL 10 0.173 10.102 4.081 86 HG11 VAL 10 HG11 VAL 10 1.459 12.249 3.733 87 HG12 VAL 10 HG12 VAL 10 0.237 12.280 5.007 88 HG13 VAL 10 HG13 VAL 10 1.945 12.129 5.424 89 HG21 VAL 10 HG21 VAL 10 2.887 10.543 3.519 90 HG22 VAL 10 HG22 VAL 10 2.828 9.127 4.568 91 HG23 VAL 10 HG23 VAL 10 1.906 9.150 3.065 92 H ALA 11 H ALA 11 -1.534 10.120 5.768 93 HA ALA 11 HA ALA 11 -1.907 12.491 7.198 94 HB1 ALA 11 HB1 ALA 11 -3.863 12.272 6.173 95 HB2 ALA 11 HB2 ALA 11 -3.558 10.563 5.860 96 HB3 ALA 11 HB3 ALA 11 -4.312 11.061 7.374 97 H LYS 12 H LYS 12 -2.170 9.117 8.231 98 HA LYS 12 HA LYS 12 -3.188 9.589 10.804 99 HB2 LYS 12 HB2 LYS 12 -2.755 7.367 9.394 100 HB3 LYS 12 HB3 LYS 12 -1.300 7.326 10.381 101 HG2 LYS 12 HG2 LYS 12 -2.933 7.669 12.362 102 HG3 LYS 12 HG3 LYS 12 -4.159 7.115 11.219 103 HD2 LYS 12 HD2 LYS 12 -3.518 5.131 12.204 104 HD3 LYS 12 HD3 LYS 12 -2.466 5.173 10.787 105 HE2 LYS 12 HE2 LYS 12 -0.913 4.689 12.382 106 HE3 LYS 12 HE3 LYS 12 -0.870 6.449 12.473 107 HZ1 LYS 12 HZ1 LYS 12 -1.051 5.776 14.670 108 HZ2 LYS 12 HZ2 LYS 12 -2.154 4.541 14.323 109 HZ3 LYS 12 HZ3 LYS 12 -2.649 6.158 14.265 110 H ILE 13 H ILE 13 0.173 8.780 9.911 111 HA ILE 13 HA ILE 13 1.316 9.306 12.391 112 HB ILE 13 HB ILE 13 2.615 9.669 9.688 113 HG12 ILE 13 HG12 ILE 13 2.622 7.239 11.486 114 HG13 ILE 13 HG13 ILE 13 1.561 7.426 10.095 115 HG21 ILE 13 HG21 ILE 13 4.649 8.951 11.163 116 HG22 ILE 13 HG22 ILE 13 4.119 10.632 11.137 117 HG23 ILE 13 HG23 ILE 13 3.662 9.584 12.479 118 HD11 ILE 13 HD11 ILE 13 3.152 6.469 8.891 119 HD12 ILE 13 HD12 ILE 13 4.103 7.939 9.110 120 HD13 ILE 13 HD13 ILE 13 4.311 6.581 10.216 121 H ILE 14 H ILE 14 0.365 11.483 9.843 122 HA ILE 14 HA ILE 14 1.835 13.739 10.816 123 HB ILE 14 HB ILE 14 -0.348 13.398 8.788 124 HG12 ILE 14 HG12 ILE 14 2.433 14.565 8.572 125 HG13 ILE 14 HG13 ILE 14 2.044 12.879 8.251 126 HG21 ILE 14 HG21 ILE 14 0.477 15.885 10.165 127 HG22 ILE 14 HG22 ILE 14 0.253 15.967 8.419 128 HG23 ILE 14 HG23 ILE 14 -1.075 15.443 9.454 129 HD11 ILE 14 HD11 ILE 14 1.051 15.284 6.746 130 HD12 ILE 14 HD12 ILE 14 2.184 14.057 6.178 131 HD13 ILE 14 HD13 ILE 14 0.498 13.632 6.470 132 H SER 15 H SER 15 -1.535 12.659 11.045 133 HA SER 15 HA SER 15 -2.446 14.903 12.520 134 HB2 SER 15 HB2 SER 15 -4.491 13.865 12.525 135 HB3 SER 15 HB3 SER 15 -3.730 12.944 11.229 136 HG SER 15 HG SER 15 -4.811 11.768 13.056 137 H ASN 16 H ASN 16 -0.821 11.967 13.389 138 HA ASN 16 HA ASN 16 -1.439 12.235 16.211 139 HB2 ASN 16 HB2 ASN 16 0.282 10.287 14.669 140 HB3 ASN 16 HB3 ASN 16 0.114 10.252 16.421 141 HD21 ASN 16 HD21 ASN 16 -2.469 10.669 16.878 142 HD22 ASN 16 HD22 ASN 16 -3.443 9.443 16.146 143 H HIS 17 H HIS 17 1.380 12.546 14.083 144 HA HIS 17 HA HIS 17 3.205 13.240 16.142 145 HB2 HIS 17 HB2 HIS 17 3.808 12.375 13.848 146 HB3 HIS 17 HB3 HIS 17 3.421 13.973 13.218 147 HD1 HIS 17 HD1 HIS 17 6.243 12.110 14.067 148 HD2 HIS 17 HD2 HIS 17 5.038 15.988 14.945 149 HE1 HIS 17 HE1 HIS 17 8.346 13.344 14.684 150 H PHE 18 H PHE 18 1.384 15.182 13.787 151 HA PHE 18 HA PHE 18 2.179 17.618 15.203 152 HB2 PHE 18 HB2 PHE 18 0.688 17.293 12.590 153 HB3 PHE 18 HB3 PHE 18 1.244 18.817 13.275 154 HD1 PHE 18 HD1 PHE 18 3.709 19.210 13.518 155 HD2 PHE 18 HD2 PHE 18 2.111 15.947 11.301 156 HE1 PHE 18 HE1 PHE 18 5.865 18.945 12.361 157 HE2 PHE 18 HE2 PHE 18 4.264 15.676 10.142 158 HZ PHE 18 HZ PHE 18 6.145 17.175 10.671 159 H ASP 19 H ASP 19 0.226 19.333 14.983 160 HA ASP 19 HA ASP 19 -1.936 18.146 16.559 161 HB2 ASP 19 HB2 ASP 19 -1.095 21.021 16.147 162 HB3 ASP 19 HB3 ASP 19 -2.493 20.530 17.100 163 H ILE 20 H ILE 20 -1.533 18.249 13.490 164 HA ILE 20 HA ILE 20 -3.826 19.759 12.597 165 HB ILE 20 HB ILE 20 -1.746 19.423 11.215 166 HG12 ILE 20 HG12 ILE 20 -4.298 18.474 9.900 167 HG13 ILE 20 HG13 ILE 20 -3.968 20.154 10.307 168 HG21 ILE 20 HG21 ILE 20 -2.203 16.743 11.777 169 HG22 ILE 20 HG22 ILE 20 -2.618 16.916 10.073 170 HG23 ILE 20 HG23 ILE 20 -1.021 17.399 10.644 171 HD11 ILE 20 HD11 ILE 20 -1.882 18.849 8.720 172 HD12 ILE 20 HD12 ILE 20 -3.442 19.017 7.914 173 HD13 ILE 20 HD13 ILE 20 -2.620 20.442 8.548 174 H GLU 21 H GLU 21 -5.609 18.785 11.415 175 HA GLU 21 HA GLU 21 -6.616 16.454 12.797 176 HB2 GLU 21 HB2 GLU 21 -7.733 18.651 11.237 177 HB3 GLU 21 HB3 GLU 21 -8.464 17.103 10.839 178 HG2 GLU 21 HG2 GLU 21 -8.284 18.339 13.576 179 HG3 GLU 21 HG3 GLU 21 -9.726 18.222 12.569 180 H ALA 22 H ALA 22 -6.600 14.431 12.065 181 HA ALA 22 HA ALA 22 -5.148 13.597 9.859 182 HB1 ALA 22 HB1 ALA 22 -6.540 12.366 11.929 183 HB2 ALA 22 HB2 ALA 22 -7.273 11.735 10.453 184 HB3 ALA 22 HB3 ALA 22 -5.536 11.580 10.711 185 H ASP 23 H ASP 23 -8.371 14.806 10.019 186 HA ASP 23 HA ASP 23 -9.050 13.782 7.371 187 HB2 ASP 23 HB2 ASP 23 -10.550 14.442 9.671 188 HB3 ASP 23 HB3 ASP 23 -11.006 15.607 8.431 189 H GLN 24 H GLN 24 -8.012 16.690 8.949 190 HA GLN 24 HA GLN 24 -8.724 18.436 6.773 191 HB2 GLN 24 HB2 GLN 24 -7.102 18.801 9.284 192 HB3 GLN 24 HB3 GLN 24 -7.246 20.069 8.074 193 HG2 GLN 24 HG2 GLN 24 -9.638 18.785 9.352 194 HG3 GLN 24 HG3 GLN 24 -8.820 20.181 10.051 195 HE21 GLN 24 HE21 GLN 24 -9.395 22.134 9.379 196 HE22 GLN 24 HE22 GLN 24 -10.383 22.472 8.002 197 H VAL 25 H VAL 25 -5.894 16.662 7.818 198 HA VAL 25 HA VAL 25 -3.920 17.923 6.314 199 HB VAL 25 HB VAL 25 -3.321 16.266 7.957 200 HG11 VAL 25 HG11 VAL 25 -5.341 14.831 7.559 201 HG12 VAL 25 HG12 VAL 25 -4.500 14.153 6.164 202 HG13 VAL 25 HG13 VAL 25 -3.831 13.948 7.783 203 HG21 VAL 25 HG21 VAL 25 -2.021 16.602 5.697 204 HG22 VAL 25 HG22 VAL 25 -1.529 15.359 6.847 205 HG23 VAL 25 HG23 VAL 25 -2.487 14.922 5.433 206 H THR 26 H THR 26 -3.818 18.261 4.203 207 HA THR 26 HA THR 26 -4.456 16.102 2.356 208 HB THR 26 HB THR 26 -6.568 17.402 2.608 209 HG1 THR 26 HG1 THR 26 -6.869 17.597 0.346 210 HG21 THR 26 HG21 THR 26 -5.870 19.657 1.007 211 HG22 THR 26 HG22 THR 26 -4.801 19.610 2.409 212 HG23 THR 26 HG23 THR 26 -6.550 19.628 2.634 213 H ASP 27 H ASP 27 -3.994 16.917 0.017 214 HA ASP 27 HA ASP 27 -1.281 17.680 -0.087 215 HB2 ASP 27 HB2 ASP 27 -1.978 16.369 -1.889 216 HB3 ASP 27 HB3 ASP 27 -3.434 17.326 -2.149 217 H GLN 28 H GLN 28 -4.189 19.507 0.010 218 HA GLN 28 HA GLN 28 -2.994 21.902 -1.106 219 HB2 GLN 28 HB2 GLN 28 -5.478 21.137 -1.272 220 HB3 GLN 28 HB3 GLN 28 -5.624 21.835 0.335 221 HG2 GLN 28 HG2 GLN 28 -4.683 23.962 -0.636 222 HG3 GLN 28 HG3 GLN 28 -4.893 23.225 -2.223 223 HE21 GLN 28 HE21 GLN 28 -6.690 23.776 -3.204 224 HE22 GLN 28 HE22 GLN 28 -8.184 24.197 -2.447 225 H LEU 29 H LEU 29 -2.440 20.412 1.650 226 HA LEU 29 HA LEU 29 -2.040 22.922 3.115 227 HB2 LEU 29 HB2 LEU 29 -3.637 20.595 3.932 228 HB3 LEU 29 HB3 LEU 29 -2.505 21.183 5.148 229 HG LEU 29 HG LEU 29 -3.585 23.486 4.730 230 HD11 LEU 29 HD11 LEU 29 -6.152 22.411 4.150 231 HD12 LEU 29 HD12 LEU 29 -5.039 21.922 2.873 232 HD13 LEU 29 HD13 LEU 29 -5.237 23.630 3.263 233 HD21 LEU 29 HD21 LEU 29 -3.979 21.555 6.591 234 HD22 LEU 29 HD22 LEU 29 -5.619 21.772 5.978 235 HD23 LEU 29 HD23 LEU 29 -4.731 23.149 6.633 236 H ASN 30 H ASN 30 0.127 22.582 2.208 237 HA ASN 30 HA ASN 30 1.764 20.403 2.720 238 HB2 ASN 30 HB2 ASN 30 2.444 22.166 1.200 239 HB3 ASN 30 HB3 ASN 30 2.494 23.332 2.520 240 HD21 ASN 30 HD21 ASN 30 4.694 23.463 1.375 241 HD22 ASN 30 HD22 ASN 30 5.953 22.510 2.077 242 H ILE 31 H ILE 31 2.144 19.486 4.623 243 HA ILE 31 HA ILE 31 1.740 20.560 7.129 244 HB ILE 31 HB ILE 31 3.852 18.501 6.492 245 HG12 ILE 31 HG12 ILE 31 1.611 17.123 7.293 246 HG13 ILE 31 HG13 ILE 31 0.926 18.403 6.298 247 HG21 ILE 31 HG21 ILE 31 3.312 17.668 8.750 248 HG22 ILE 31 HG22 ILE 31 3.950 19.311 8.767 249 HG23 ILE 31 HG23 ILE 31 2.221 19.035 8.971 250 HD11 ILE 31 HD11 ILE 31 1.272 16.818 4.711 251 HD12 ILE 31 HD12 ILE 31 2.832 17.639 4.641 252 HD13 ILE 31 HD13 ILE 31 2.669 16.131 5.540 253 H LYS 32 H LYS 32 4.632 20.676 5.122 254 HA LYS 32 HA LYS 32 6.566 21.515 6.841 255 HB2 LYS 32 HB2 LYS 32 6.900 21.187 4.419 256 HB3 LYS 32 HB3 LYS 32 6.029 22.682 4.103 257 HG2 LYS 32 HG2 LYS 32 8.367 22.818 5.919 258 HG3 LYS 32 HG3 LYS 32 8.673 22.573 4.198 259 HD2 LYS 32 HD2 LYS 32 6.826 24.567 4.133 260 HD3 LYS 32 HD3 LYS 32 7.687 24.944 5.628 261 HE2 LYS 32 HE2 LYS 32 9.068 24.411 3.005 262 HE3 LYS 32 HE3 LYS 32 8.595 26.023 3.539 263 HZ1 LYS 32 HZ1 LYS 32 10.962 25.216 4.028 264 HZ2 LYS 32 HZ2 LYS 32 10.256 24.296 5.259 265 HZ3 LYS 32 HZ3 LYS 32 10.108 25.981 5.273 266 H ASP 33 H ASP 33 4.422 23.762 5.081 267 HA ASP 33 HA ASP 33 5.114 25.896 6.923 268 HB2 ASP 33 HB2 ASP 33 4.582 25.938 4.280 269 HB3 ASP 33 HB3 ASP 33 2.977 26.305 4.908 270 H ASP 34 H ASP 34 2.173 24.177 5.899 271 HA ASP 34 HA ASP 34 0.271 25.394 7.424 272 HB2 ASP 34 HB2 ASP 34 0.057 23.380 5.828 273 HB3 ASP 34 HB3 ASP 34 0.382 22.391 7.249 274 H LEU 35 H LEU 35 2.224 22.609 8.498 275 HA LEU 35 HA LEU 35 1.404 23.081 11.249 276 HB2 LEU 35 HB2 LEU 35 2.865 20.906 9.817 277 HB3 LEU 35 HB3 LEU 35 3.010 21.046 11.568 278 HG LEU 35 HG LEU 35 1.336 19.405 11.029 279 HD11 LEU 35 HD11 LEU 35 1.019 21.248 12.867 280 HD12 LEU 35 HD12 LEU 35 -0.274 20.106 12.500 281 HD13 LEU 35 HD13 LEU 35 -0.326 21.740 11.837 282 HD21 LEU 35 HD21 LEU 35 -0.626 21.194 9.845 283 HD22 LEU 35 HD22 LEU 35 -0.126 19.576 9.353 284 HD23 LEU 35 HD23 LEU 35 0.803 20.983 8.834 285 H ASN 36 H ASN 36 3.895 24.016 9.182 286 HA ASN 36 HA ASN 36 5.788 25.238 9.506 287 HB2 ASN 36 HB2 ASN 36 4.160 25.903 11.669 288 HB3 ASN 36 HB3 ASN 36 5.710 25.500 12.400 289 HD21 ASN 36 HD21 ASN 36 4.090 28.044 11.722 290 HD22 ASN 36 HD22 ASN 36 5.291 29.101 11.069 291 H ALA 37 H ALA 37 5.681 22.299 9.816 292 HA ALA 37 HA ALA 37 7.237 21.241 11.807 293 HB1 ALA 37 HB1 ALA 37 7.889 19.493 10.208 294 HB2 ALA 37 HB2 ALA 37 6.167 19.868 10.118 295 HB3 ALA 37 HB3 ALA 37 7.270 20.486 8.888 296 H ASP 38 H ASP 38 9.398 21.028 12.242 297 HA ASP 38 HA ASP 38 11.124 23.092 11.366 298 HB2 ASP 38 HB2 ASP 38 11.135 21.066 13.374 299 HB3 ASP 38 HB3 ASP 38 12.650 20.960 12.482 300 H SER 39 H SER 39 13.499 22.335 10.719 301 HA SER 39 HA SER 39 13.197 21.163 8.095 302 HB2 SER 39 HB2 SER 39 15.888 21.594 8.396 303 HB3 SER 39 HB3 SER 39 14.741 22.786 7.786 304 HG SER 39 HG SER 39 16.233 23.221 9.744 305 H ILE 40 H ILE 40 15.241 20.494 10.939 306 HA ILE 40 HA ILE 40 16.448 18.172 10.076 307 HB ILE 40 HB ILE 40 15.521 18.791 12.883 308 HG12 ILE 40 HG12 ILE 40 16.982 20.525 11.941 309 HG13 ILE 40 HG13 ILE 40 17.805 19.629 13.213 310 HG21 ILE 40 HG21 ILE 40 17.894 17.245 12.830 311 HG22 ILE 40 HG22 ILE 40 16.314 16.808 13.478 312 HG23 ILE 40 HG23 ILE 40 16.708 16.448 11.797 313 HD11 ILE 40 HD11 ILE 40 18.400 18.301 10.821 314 HD12 ILE 40 HD12 ILE 40 18.568 20.026 10.489 315 HD13 ILE 40 HD13 ILE 40 19.475 19.288 11.810 316 H SER 41 H SER 41 13.274 18.564 11.587 317 HA SER 41 HA SER 41 12.580 15.937 12.030 318 HB2 SER 41 HB2 SER 41 10.513 17.751 10.862 319 HB3 SER 41 HB3 SER 41 10.403 16.674 12.254 320 HG SER 41 HG SER 41 11.717 18.152 13.401 321 H VAL 42 H VAL 42 12.577 17.731 9.007 322 HA VAL 42 HA VAL 42 11.128 16.029 7.378 323 HB VAL 42 HB VAL 42 13.603 17.596 6.635 324 HG11 VAL 42 HG11 VAL 42 13.401 16.400 4.736 325 HG12 VAL 42 HG12 VAL 42 11.731 15.942 5.077 326 HG13 VAL 42 HG13 VAL 42 12.090 17.530 4.399 327 HG21 VAL 42 HG21 VAL 42 12.151 19.214 7.394 328 HG22 VAL 42 HG22 VAL 42 11.699 19.122 5.692 329 HG23 VAL 42 HG23 VAL 42 10.717 18.309 6.910 330 H MET 43 H MET 43 14.490 15.794 8.417 331 HA MET 43 HA MET 43 15.299 13.714 6.724 332 HB2 MET 43 HB2 MET 43 16.477 15.218 8.716 333 HB3 MET 43 HB3 MET 43 16.464 13.599 9.404 334 HG2 MET 43 HG2 MET 43 18.458 13.535 8.328 335 HG3 MET 43 HG3 MET 43 17.412 12.957 7.033 336 HE1 MET 43 HE1 MET 43 19.912 13.531 6.281 337 HE2 MET 43 HE2 MET 43 20.073 14.879 5.156 338 HE3 MET 43 HE3 MET 43 20.576 15.068 6.837 339 H GLU 44 H GLU 44 13.358 13.714 9.602 340 HA GLU 44 HA GLU 44 13.580 10.850 9.986 341 HB2 GLU 44 HB2 GLU 44 11.630 12.705 11.343 342 HB3 GLU 44 HB3 GLU 44 12.208 11.143 11.906 343 HG2 GLU 44 HG2 GLU 44 14.496 12.709 11.590 344 HG3 GLU 44 HG3 GLU 44 13.299 13.763 12.339 345 H PHE 45 H PHE 45 10.946 13.130 9.227 346 HA PHE 45 HA PHE 45 8.951 11.273 8.724 347 HB2 PHE 45 HB2 PHE 45 9.402 13.969 7.429 348 HB3 PHE 45 HB3 PHE 45 7.908 13.046 7.315 349 HD1 PHE 45 HD1 PHE 45 7.038 12.233 9.740 350 HD2 PHE 45 HD2 PHE 45 9.428 15.666 8.957 351 HE1 PHE 45 HE1 PHE 45 6.244 13.258 11.831 352 HE2 PHE 45 HE2 PHE 45 8.639 16.696 11.048 353 HZ PHE 45 HZ PHE 45 7.046 15.492 12.488 354 H VAL 46 H VAL 46 11.460 12.511 6.574 355 HA VAL 46 HA VAL 46 10.497 11.275 4.212 356 HB VAL 46 HB VAL 46 12.148 13.160 4.279 357 HG11 VAL 46 HG11 VAL 46 14.215 11.039 4.799 358 HG12 VAL 46 HG12 VAL 46 14.431 12.790 4.745 359 HG13 VAL 46 HG13 VAL 46 13.547 12.050 6.080 360 HG21 VAL 46 HG21 VAL 46 12.650 12.639 2.171 361 HG22 VAL 46 HG22 VAL 46 13.623 11.254 2.667 362 HG23 VAL 46 HG23 VAL 46 11.879 11.081 2.466 363 H LEU 47 H LEU 47 12.223 10.096 6.943 364 HA LEU 47 HA LEU 47 13.336 7.798 5.597 365 HB2 LEU 47 HB2 LEU 47 14.118 9.092 7.772 366 HB3 LEU 47 HB3 LEU 47 13.068 7.913 8.555 367 HG LEU 47 HG LEU 47 14.516 6.226 7.099 368 HD11 LEU 47 HD11 LEU 47 16.786 6.899 6.857 369 HD12 LEU 47 HD12 LEU 47 16.480 8.437 7.663 370 HD13 LEU 47 HD13 LEU 47 15.787 8.122 6.072 371 HD21 LEU 47 HD21 LEU 47 15.023 7.453 9.774 372 HD22 LEU 47 HD22 LEU 47 16.149 6.258 9.131 373 HD23 LEU 47 HD23 LEU 47 14.453 5.834 9.369 374 H GLU 48 H GLU 48 10.810 8.322 8.056 375 HA GLU 48 HA GLU 48 9.929 5.692 8.262 376 HB2 GLU 48 HB2 GLU 48 7.717 6.760 8.946 377 HB3 GLU 48 HB3 GLU 48 9.137 7.211 9.879 378 HG2 GLU 48 HG2 GLU 48 9.292 9.313 8.764 379 HG3 GLU 48 HG3 GLU 48 8.037 8.854 7.615 380 H LEU 49 H LEU 49 9.081 8.197 5.940 381 HA LEU 49 HA LEU 49 6.949 6.768 4.718 382 HB2 LEU 49 HB2 LEU 49 8.674 8.986 3.625 383 HB3 LEU 49 HB3 LEU 49 7.169 8.414 2.907 384 HG LEU 49 HG LEU 49 7.207 9.498 5.700 385 HD11 LEU 49 HD11 LEU 49 6.413 11.410 3.660 386 HD12 LEU 49 HD12 LEU 49 8.121 10.985 3.571 387 HD13 LEU 49 HD13 LEU 49 7.449 11.622 5.072 388 HD21 LEU 49 HD21 LEU 49 5.229 8.284 4.750 389 HD22 LEU 49 HD22 LEU 49 5.084 9.582 3.565 390 HD23 LEU 49 HD23 LEU 49 4.904 9.934 5.284 391 H GLU 50 H GLU 50 10.233 7.488 3.511 392 HA GLU 50 HA GLU 50 10.138 5.781 1.305 393 HB2 GLU 50 HB2 GLU 50 12.399 6.210 1.031 394 HB3 GLU 50 HB3 GLU 50 11.876 7.599 1.973 395 HG2 GLU 50 HG2 GLU 50 12.591 6.200 4.016 396 HG3 GLU 50 HG3 GLU 50 13.479 5.231 2.841 397 H ASP 51 H ASP 51 10.549 5.093 4.652 398 HA ASP 51 HA ASP 51 11.710 2.475 4.218 399 HB2 ASP 51 HB2 ASP 51 12.364 3.726 6.204 400 HB3 ASP 51 HB3 ASP 51 10.686 3.811 6.732 401 H GLU 52 H GLU 52 8.739 3.578 5.864 402 HA GLU 52 HA GLU 52 7.459 1.147 6.037 403 HB2 GLU 52 HB2 GLU 52 6.721 3.350 7.031 404 HB3 GLU 52 HB3 GLU 52 6.046 3.750 5.458 405 HG2 GLU 52 HG2 GLU 52 4.187 2.904 6.417 406 HG3 GLU 52 HG3 GLU 52 4.864 1.400 5.795 407 H PHE 53 H PHE 53 7.099 3.548 3.428 408 HA PHE 53 HA PHE 53 5.424 1.944 1.820 409 HB2 PHE 53 HB2 PHE 53 7.269 4.142 0.872 410 HB3 PHE 53 HB3 PHE 53 5.807 3.565 0.078 411 HD1 PHE 53 HD1 PHE 53 4.156 3.358 2.662 412 HD2 PHE 53 HD2 PHE 53 6.617 6.423 1.029 413 HE1 PHE 53 HE1 PHE 53 2.836 5.053 3.862 414 HE2 PHE 53 HE2 PHE 53 5.302 8.123 2.227 415 HZ PHE 53 HZ PHE 53 3.409 7.439 3.646 416 H GLY 54 H GLY 54 8.839 1.990 2.314 417 HA2 GLY 54 HA2 GLY 54 10.448 0.503 1.592 418 HA3 GLY 54 HA3 GLY 54 9.183 -0.386 0.757 419 H THR 55 H THR 55 10.625 2.863 0.461 420 HA THR 55 HA THR 55 11.441 2.241 -2.266 421 HB THR 55 HB THR 55 9.130 3.156 -2.453 422 HG1 THR 55 HG1 THR 55 10.593 3.492 -4.162 423 HG21 THR 55 HG21 THR 55 9.391 4.693 -0.458 424 HG22 THR 55 HG22 THR 55 8.628 5.405 -1.880 425 HG23 THR 55 HG23 THR 55 10.315 5.761 -1.513 426 H GLU 56 H GLU 56 12.648 4.166 -3.233 427 HA GLU 56 HA GLU 56 14.346 5.314 -1.128 428 HB2 GLU 56 HB2 GLU 56 15.197 3.818 -3.128 429 HB3 GLU 56 HB3 GLU 56 15.119 5.334 -4.014 430 HG2 GLU 56 HG2 GLU 56 16.785 6.313 -2.756 431 HG3 GLU 56 HG3 GLU 56 16.546 5.216 -1.397 432 H ILE 57 H ILE 57 14.631 7.474 -0.930 433 HA ILE 57 HA ILE 57 13.197 9.197 -2.844 434 HB ILE 57 HB ILE 57 13.527 9.635 0.126 435 HG12 ILE 57 HG12 ILE 57 11.067 9.027 -1.528 436 HG13 ILE 57 HG13 ILE 57 11.866 7.909 -0.428 437 HG21 ILE 57 HG21 ILE 57 13.107 11.489 -1.976 438 HG22 ILE 57 HG22 ILE 57 11.608 11.363 -1.056 439 HG23 ILE 57 HG23 ILE 57 13.112 11.783 -0.237 440 HD11 ILE 57 HD11 ILE 57 10.450 10.458 0.302 441 HD12 ILE 57 HD12 ILE 57 9.921 8.809 0.635 442 HD13 ILE 57 HD13 ILE 57 11.355 9.454 1.433 443 H SER 58 H SER 58 14.493 10.494 -3.947 444 HA SER 58 HA SER 58 17.230 10.750 -3.559 445 HB2 SER 58 HB2 SER 58 15.467 11.543 -5.498 446 HB3 SER 58 HB3 SER 58 15.958 13.090 -4.810 447 HG SER 58 HG SER 58 17.381 12.507 -6.454 448 H ASP 59 H ASP 59 18.408 12.839 -3.152 449 HA ASP 59 HA ASP 59 17.598 13.858 -0.575 450 HB2 ASP 59 HB2 ASP 59 20.045 13.449 -1.865 451 HB3 ASP 59 HB3 ASP 59 19.891 15.199 -1.736 452 H GLU 60 H GLU 60 17.451 14.873 -3.867 453 HA GLU 60 HA GLU 60 17.140 17.677 -3.283 454 HB2 GLU 60 HB2 GLU 60 16.414 16.287 -5.858 455 HB3 GLU 60 HB3 GLU 60 16.833 17.978 -5.625 456 HG2 GLU 60 HG2 GLU 60 19.123 17.227 -4.953 457 HG3 GLU 60 HG3 GLU 60 18.662 15.599 -5.449 458 H ASP 61 H ASP 61 14.955 15.262 -4.743 459 HA ASP 61 HA ASP 61 12.626 16.779 -4.566 460 HB2 ASP 61 HB2 ASP 61 13.002 13.780 -4.533 461 HB3 ASP 61 HB3 ASP 61 11.436 14.570 -4.695 462 H ALA 62 H ALA 62 14.369 15.085 -2.125 463 HA ALA 62 HA ALA 62 12.459 14.458 -0.247 464 HB1 ALA 62 HB1 ALA 62 15.281 15.432 0.034 465 HB2 ALA 62 HB2 ALA 62 14.295 15.051 1.446 466 HB3 ALA 62 HB3 ALA 62 14.641 13.802 0.250 467 H GLU 63 H GLU 63 13.476 17.581 -1.309 468 HA GLU 63 HA GLU 63 12.342 18.952 0.986 469 HB2 GLU 63 HB2 GLU 63 14.309 19.583 -0.893 470 HB3 GLU 63 HB3 GLU 63 12.968 20.652 -1.279 471 HG2 GLU 63 HG2 GLU 63 13.467 20.547 1.567 472 HG3 GLU 63 HG3 GLU 63 14.898 21.039 0.665 473 H LYS 64 H LYS 64 11.524 18.202 -2.330 474 HA LYS 64 HA LYS 64 9.061 19.780 -2.127 475 HB2 LYS 64 HB2 LYS 64 8.850 19.499 -4.518 476 HB3 LYS 64 HB3 LYS 64 10.476 20.056 -4.147 477 HG2 LYS 64 HG2 LYS 64 11.385 18.279 -5.110 478 HG3 LYS 64 HG3 LYS 64 10.356 17.175 -4.195 479 HD2 LYS 64 HD2 LYS 64 8.906 16.924 -5.898 480 HD3 LYS 64 HD3 LYS 64 8.983 18.630 -6.344 481 HE2 LYS 64 HE2 LYS 64 10.853 18.321 -7.688 482 HE3 LYS 64 HE3 LYS 64 11.297 16.812 -6.892 483 HZ1 LYS 64 HZ1 LYS 64 10.017 16.988 -9.252 484 HZ2 LYS 64 HZ2 LYS 64 8.724 16.749 -8.190 485 HZ3 LYS 64 HZ3 LYS 64 9.991 15.630 -8.244 486 H ILE 65 H ILE 65 9.361 17.374 -0.590 487 HA ILE 65 HA ILE 65 7.029 15.943 -1.593 488 HB ILE 65 HB ILE 65 8.030 13.740 -1.207 489 HG12 ILE 65 HG12 ILE 65 10.799 14.355 -1.317 490 HG13 ILE 65 HG13 ILE 65 10.107 15.308 -0.009 491 HG21 ILE 65 HG21 ILE 65 9.465 15.503 -3.182 492 HG22 ILE 65 HG22 ILE 65 9.578 13.744 -3.170 493 HG23 ILE 65 HG23 ILE 65 8.024 14.526 -3.461 494 HD11 ILE 65 HD11 ILE 65 9.788 13.514 1.285 495 HD12 ILE 65 HD12 ILE 65 9.253 12.509 -0.062 496 HD13 ILE 65 HD13 ILE 65 10.975 12.757 0.224 497 H GLU 66 H GLU 66 7.433 17.769 0.588 498 HA GLU 66 HA GLU 66 7.257 16.036 2.946 499 HB2 GLU 66 HB2 GLU 66 7.432 19.051 2.807 500 HB3 GLU 66 HB3 GLU 66 7.522 18.069 4.262 501 HG2 GLU 66 HG2 GLU 66 9.613 17.142 3.600 502 HG3 GLU 66 HG3 GLU 66 9.491 17.873 2.000 503 H THR 67 H THR 67 5.292 17.591 0.722 504 HA THR 67 HA THR 67 3.108 18.097 2.582 505 HB THR 67 HB THR 67 2.112 19.360 0.965 506 HG1 THR 67 HG1 THR 67 2.500 18.849 -1.350 507 HG21 THR 67 HG21 THR 67 4.675 19.906 1.213 508 HG22 THR 67 HG22 THR 67 3.688 20.741 0.012 509 HG23 THR 67 HG23 THR 67 4.725 19.400 -0.475 510 H VAL 68 H VAL 68 0.976 17.193 2.213 511 HA VAL 68 HA VAL 68 0.879 14.447 2.161 512 HB VAL 68 HB VAL 68 -1.373 16.233 1.237 513 HG11 VAL 68 HG11 VAL 68 -1.736 13.841 0.875 514 HG12 VAL 68 HG12 VAL 68 -1.393 13.530 2.577 515 HG13 VAL 68 HG13 VAL 68 -2.812 14.474 2.121 516 HG21 VAL 68 HG21 VAL 68 -0.435 15.539 4.013 517 HG22 VAL 68 HG22 VAL 68 -0.618 17.141 3.299 518 HG23 VAL 68 HG23 VAL 68 -2.044 16.171 3.665 519 H GLY 69 H GLY 69 0.274 16.675 -0.544 520 HA2 GLY 69 HA2 GLY 69 -0.154 14.524 -2.410 521 HA3 GLY 69 HA3 GLY 69 -0.048 16.235 -2.795 522 H ALA 70 H ALA 70 2.436 16.908 -1.893 523 HA ALA 70 HA ALA 70 4.104 16.076 -3.976 524 HB1 ALA 70 HB1 ALA 70 5.370 17.041 -1.476 525 HB2 ALA 70 HB2 ALA 70 5.628 17.544 -3.148 526 HB3 ALA 70 HB3 ALA 70 4.209 18.109 -2.265 527 H ALA 71 H ALA 71 3.332 14.538 -1.029 528 HA ALA 71 HA ALA 71 5.756 12.939 -0.940 529 HB1 ALA 71 HB1 ALA 71 4.757 13.653 1.158 530 HB2 ALA 71 HB2 ALA 71 3.260 12.814 0.749 531 HB3 ALA 71 HB3 ALA 71 4.739 11.894 1.030 532 H VAL 72 H VAL 72 2.293 12.073 -0.950 533 HA VAL 72 HA VAL 72 2.610 9.436 -1.754 534 HB VAL 72 HB VAL 72 0.493 10.250 -0.891 535 HG11 VAL 72 HG11 VAL 72 0.774 12.461 -2.254 536 HG12 VAL 72 HG12 VAL 72 -0.151 11.590 -3.479 537 HG13 VAL 72 HG13 VAL 72 -0.837 11.851 -1.875 538 HG21 VAL 72 HG21 VAL 72 -0.126 9.414 -3.697 539 HG22 VAL 72 HG22 VAL 72 0.697 8.307 -2.597 540 HG23 VAL 72 HG23 VAL 72 -0.902 8.929 -2.189 541 H ASP 73 H ASP 73 2.225 12.353 -3.715 542 HA ASP 73 HA ASP 73 1.997 11.095 -6.216 543 HB2 ASP 73 HB2 ASP 73 1.447 13.456 -5.881 544 HB3 ASP 73 HB3 ASP 73 3.138 13.815 -5.541 545 H TYR 74 H TYR 74 4.717 11.653 -4.161 546 HA TYR 74 HA TYR 74 6.647 11.175 -6.284 547 HB2 TYR 74 HB2 TYR 74 7.118 12.841 -4.508 548 HB3 TYR 74 HB3 TYR 74 7.098 11.547 -3.315 549 HD1 TYR 74 HD2 TYR 74 8.797 12.467 -6.514 550 HD2 TYR 74 HD1 TYR 74 9.107 10.574 -2.716 551 HE1 TYR 74 HE2 TYR 74 11.191 12.072 -6.913 552 HE2 TYR 74 HE1 TYR 74 11.503 10.175 -3.104 553 HH TYR 74 HH TYR 74 13.114 11.367 -6.029 554 H ILE 75 H ILE 75 5.762 9.663 -3.179 555 HA ILE 75 HA ILE 75 7.361 7.390 -3.421 556 HB ILE 75 HB ILE 75 4.676 7.546 -2.048 557 HG12 ILE 75 HG12 ILE 75 6.118 9.347 -1.271 558 HG13 ILE 75 HG13 ILE 75 5.987 8.112 -0.023 559 HG21 ILE 75 HG21 ILE 75 6.264 5.352 -2.477 560 HG22 ILE 75 HG22 ILE 75 6.771 5.890 -0.876 561 HG23 ILE 75 HG23 ILE 75 5.074 5.522 -1.186 562 HD11 ILE 75 HD11 ILE 75 8.222 7.460 -1.616 563 HD12 ILE 75 HD12 ILE 75 8.317 9.181 -1.240 564 HD13 ILE 75 HD13 ILE 75 8.188 7.999 0.063 565 H VAL 76 H VAL 76 4.029 7.961 -4.480 566 HA VAL 76 HA VAL 76 3.581 5.324 -5.434 567 HB VAL 76 HB VAL 76 2.205 7.913 -6.162 568 HG11 VAL 76 HG11 VAL 76 1.475 6.648 -7.893 569 HG12 VAL 76 HG12 VAL 76 1.817 5.125 -7.069 570 HG13 VAL 76 HG13 VAL 76 0.362 6.039 -6.669 571 HG21 VAL 76 HG21 VAL 76 1.280 5.720 -4.315 572 HG22 VAL 76 HG22 VAL 76 2.098 7.184 -3.767 573 HG23 VAL 76 HG23 VAL 76 0.533 7.297 -4.572 574 H SER 77 H SER 77 4.056 8.363 -7.249 575 HA SER 77 HA SER 77 4.292 7.283 -9.776 576 HB2 SER 77 HB2 SER 77 4.173 9.722 -9.233 577 HB3 SER 77 HB3 SER 77 5.866 9.654 -8.744 578 HG SER 77 HG SER 77 4.741 9.353 -11.308 579 H ASN 78 H ASN 78 6.626 7.352 -7.190 580 HA ASN 78 HA ASN 78 8.825 6.532 -8.879 581 HB2 ASN 78 HB2 ASN 78 9.151 7.983 -6.874 582 HB3 ASN 78 HB3 ASN 78 8.681 6.623 -5.859 583 HD21 ASN 78 HD21 ASN 78 11.246 8.278 -6.801 584 HD22 ASN 78 HD22 ASN 78 12.454 7.043 -6.806 585 H SER 79 H SER 79 6.594 5.064 -6.589 586 HA SER 79 HA SER 79 7.129 2.453 -7.691 587 HB2 SER 79 HB2 SER 79 8.169 3.269 -5.033 588 HB3 SER 79 HB3 SER 79 7.402 1.684 -5.125 589 HG SER 79 HG SER 79 9.643 1.581 -5.578 Start of MODEL 9 1 H1 MET 1 H MET 1 2.057 0.565 0.970 2 HA MET 1 HA MET 1 3.081 0.323 -1.188 3 HB2 MET 1 HB2 MET 1 0.373 -0.980 -1.444 4 HB3 MET 1 HB3 MET 1 1.896 -1.516 -2.142 5 HG2 MET 1 HG2 MET 1 2.320 -1.396 0.622 6 HG3 MET 1 HG3 MET 1 0.737 -2.138 0.402 7 HE1 MET 1 HE1 MET 1 0.280 -4.397 -0.590 8 HE2 MET 1 HE2 MET 1 1.496 -5.651 -0.342 9 HE3 MET 1 HE3 MET 1 1.011 -4.615 1.001 10 H THR 2 H THR 2 -0.395 0.964 -1.689 11 HA THR 2 HA THR 2 0.190 2.178 -4.264 12 HB THR 2 HB THR 2 -1.762 0.652 -3.985 13 HG1 THR 2 HG1 THR 2 -1.829 2.123 -5.687 14 HG21 THR 2 HG21 THR 2 -3.414 2.765 -2.775 15 HG22 THR 2 HG22 THR 2 -2.255 2.007 -1.683 16 HG23 THR 2 HG23 THR 2 -3.446 1.020 -2.529 17 H ARG 3 H ARG 3 -1.207 4.215 -4.756 18 HA ARG 3 HA ARG 3 -0.171 6.348 -3.277 19 HB2 ARG 3 HB2 ARG 3 -1.799 7.747 -4.538 20 HB3 ARG 3 HB3 ARG 3 -0.859 6.668 -5.561 21 HG2 ARG 3 HG2 ARG 3 -2.893 5.075 -5.305 22 HG3 ARG 3 HG3 ARG 3 -3.750 6.545 -4.836 23 HD2 ARG 3 HD2 ARG 3 -3.872 7.237 -6.948 24 HD3 ARG 3 HD3 ARG 3 -2.146 6.980 -7.195 25 HE ARG 3 HE ARG 3 -2.623 4.987 -8.216 26 HH11 ARG 3 HH11 ARG 3 -5.432 6.084 -6.478 27 HH12 ARG 3 HH12 ARG 3 -6.474 4.863 -7.129 28 HH21 ARG 3 HH21 ARG 3 -3.984 3.374 -9.081 29 HH22 ARG 3 HH22 ARG 3 -5.648 3.321 -8.609 30 H GLU 4 H GLU 4 -3.271 4.685 -3.073 31 HA GLU 4 HA GLU 4 -4.557 6.476 -1.328 32 HB2 GLU 4 HB2 GLU 4 -4.932 3.493 -1.646 33 HB3 GLU 4 HB3 GLU 4 -6.031 4.558 -0.781 34 HG2 GLU 4 HG2 GLU 4 -6.024 5.843 -3.091 35 HG3 GLU 4 HG3 GLU 4 -5.587 4.245 -3.694 36 H GLU 5 H GLU 5 -3.115 3.311 -0.519 37 HA GLU 5 HA GLU 5 -3.241 3.498 2.223 38 HB2 GLU 5 HB2 GLU 5 -2.369 1.597 0.616 39 HB3 GLU 5 HB3 GLU 5 -0.800 2.299 0.984 40 HG2 GLU 5 HG2 GLU 5 -0.765 1.003 2.778 41 HG3 GLU 5 HG3 GLU 5 -2.008 2.052 3.456 42 H VAL 6 H VAL 6 -0.625 4.618 0.098 43 HA VAL 6 HA VAL 6 1.087 5.558 2.116 44 HB VAL 6 HB VAL 6 0.797 6.532 -0.730 45 HG11 VAL 6 HG11 VAL 6 3.429 6.861 0.238 46 HG12 VAL 6 HG12 VAL 6 2.278 8.110 -0.239 47 HG13 VAL 6 HG13 VAL 6 2.342 7.562 1.436 48 HG21 VAL 6 HG21 VAL 6 1.518 4.051 0.067 49 HG22 VAL 6 HG22 VAL 6 2.112 4.828 -1.401 50 HG23 VAL 6 HG23 VAL 6 3.084 4.862 0.070 51 H LEU 7 H LEU 7 -1.219 7.363 0.080 52 HA LEU 7 HA LEU 7 -0.884 9.867 1.213 53 HB2 LEU 7 HB2 LEU 7 -2.152 9.747 -0.749 54 HB3 LEU 7 HB3 LEU 7 -3.233 8.527 -0.079 55 HG LEU 7 HG LEU 7 -4.262 10.209 1.356 56 HD11 LEU 7 HD11 LEU 7 -3.384 12.626 0.261 57 HD12 LEU 7 HD12 LEU 7 -1.922 11.715 0.637 58 HD13 LEU 7 HD13 LEU 7 -3.114 12.028 1.898 59 HD21 LEU 7 HD21 LEU 7 -5.018 9.792 -1.019 60 HD22 LEU 7 HD22 LEU 7 -4.159 11.269 -1.458 61 HD23 LEU 7 HD23 LEU 7 -5.500 11.336 -0.313 62 H GLN 8 H GLN 8 -3.085 7.263 2.194 63 HA GLN 8 HA GLN 8 -4.395 8.640 4.250 64 HB2 GLN 8 HB2 GLN 8 -3.867 5.722 3.749 65 HB3 GLN 8 HB3 GLN 8 -4.722 6.258 5.190 66 HG2 GLN 8 HG2 GLN 8 -6.510 7.125 3.937 67 HG3 GLN 8 HG3 GLN 8 -5.598 7.041 2.430 68 HE21 GLN 8 HE21 GLN 8 -7.412 5.260 4.792 69 HE22 GLN 8 HE22 GLN 8 -7.592 3.814 3.864 70 H LYS 9 H LYS 9 -1.768 6.245 4.577 71 HA LYS 9 HA LYS 9 -1.252 6.485 7.250 72 HB2 LYS 9 HB2 LYS 9 0.277 5.664 4.893 73 HB3 LYS 9 HB3 LYS 9 1.289 6.267 6.199 74 HG2 LYS 9 HG2 LYS 9 0.992 3.842 6.303 75 HG3 LYS 9 HG3 LYS 9 0.335 4.650 7.728 76 HD2 LYS 9 HD2 LYS 9 -1.587 4.299 5.542 77 HD3 LYS 9 HD3 LYS 9 -0.987 2.790 6.232 78 HE2 LYS 9 HE2 LYS 9 -1.579 4.629 8.341 79 HE3 LYS 9 HE3 LYS 9 -2.969 4.516 7.262 80 HZ1 LYS 9 HZ1 LYS 9 -2.053 2.648 9.174 81 HZ2 LYS 9 HZ2 LYS 9 -2.054 1.931 7.642 82 HZ3 LYS 9 HZ3 LYS 9 -3.473 2.618 8.255 83 H VAL 10 H VAL 10 0.489 8.315 4.726 84 HA VAL 10 HA VAL 10 1.953 9.990 6.341 85 HB VAL 10 HB VAL 10 0.686 10.636 3.677 86 HG11 VAL 10 HG11 VAL 10 2.437 12.383 3.512 87 HG12 VAL 10 HG12 VAL 10 1.254 12.700 4.782 88 HG13 VAL 10 HG13 VAL 10 2.852 12.080 5.199 89 HG21 VAL 10 HG21 VAL 10 2.981 9.057 4.505 90 HG22 VAL 10 HG22 VAL 10 2.164 9.130 2.944 91 HG23 VAL 10 HG23 VAL 10 3.407 10.315 3.344 92 H ALA 11 H ALA 11 -1.357 10.484 5.154 93 HA ALA 11 HA ALA 11 -1.747 13.027 6.290 94 HB1 ALA 11 HB1 ALA 11 -4.257 11.977 6.238 95 HB2 ALA 11 HB2 ALA 11 -3.443 12.713 4.857 96 HB3 ALA 11 HB3 ALA 11 -3.423 10.962 5.061 97 H LYS 12 H LYS 12 -2.167 9.779 7.571 98 HA LYS 12 HA LYS 12 -3.485 10.611 9.969 99 HB2 LYS 12 HB2 LYS 12 -3.726 8.338 9.027 100 HB3 LYS 12 HB3 LYS 12 -2.029 8.029 9.370 101 HG2 LYS 12 HG2 LYS 12 -2.401 8.132 11.716 102 HG3 LYS 12 HG3 LYS 12 -4.045 8.733 11.488 103 HD2 LYS 12 HD2 LYS 12 -4.431 6.502 11.922 104 HD3 LYS 12 HD3 LYS 12 -4.363 6.505 10.158 105 HE2 LYS 12 HE2 LYS 12 -2.390 5.382 10.098 106 HE3 LYS 12 HE3 LYS 12 -1.804 6.113 11.591 107 HZ1 LYS 12 HZ1 LYS 12 -2.946 3.589 11.242 108 HZ2 LYS 12 HZ2 LYS 12 -4.011 4.494 12.194 109 HZ3 LYS 12 HZ3 LYS 12 -2.402 4.298 12.678 110 H ILE 13 H ILE 13 -0.243 9.209 9.444 111 HA ILE 13 HA ILE 13 0.798 9.635 11.957 112 HB ILE 13 HB ILE 13 2.311 9.873 9.353 113 HG12 ILE 13 HG12 ILE 13 1.768 7.462 11.100 114 HG13 ILE 13 HG13 ILE 13 1.056 7.768 9.520 115 HG21 ILE 13 HG21 ILE 13 3.255 9.277 12.154 116 HG22 ILE 13 HG22 ILE 13 4.252 9.174 10.703 117 HG23 ILE 13 HG23 ILE 13 3.596 10.729 11.214 118 HD11 ILE 13 HD11 ILE 13 2.721 6.358 8.914 119 HD12 ILE 13 HD12 ILE 13 3.602 7.883 8.813 120 HD13 ILE 13 HD13 ILE 13 3.778 6.856 10.235 121 H ILE 14 H ILE 14 0.533 11.904 9.277 122 HA ILE 14 HA ILE 14 2.055 13.968 10.547 123 HB ILE 14 HB ILE 14 0.214 13.962 8.165 124 HG12 ILE 14 HG12 ILE 14 3.198 14.382 8.448 125 HG13 ILE 14 HG13 ILE 14 2.422 12.897 7.906 126 HG21 ILE 14 HG21 ILE 14 1.032 16.287 7.754 127 HG22 ILE 14 HG22 ILE 14 -0.053 16.127 9.134 128 HG23 ILE 14 HG23 ILE 14 1.684 16.287 9.392 129 HD11 ILE 14 HD11 ILE 14 3.108 13.917 5.943 130 HD12 ILE 14 HD12 ILE 14 1.403 14.357 6.057 131 HD13 ILE 14 HD13 ILE 14 2.647 15.525 6.501 132 H SER 15 H SER 15 -1.416 13.402 10.034 133 HA SER 15 HA SER 15 -2.300 15.737 11.344 134 HB2 SER 15 HB2 SER 15 -3.780 14.526 9.851 135 HB3 SER 15 HB3 SER 15 -3.704 13.095 10.880 136 HG SER 15 HG SER 15 -4.631 15.581 11.851 137 H ASN 16 H ASN 16 -1.061 12.775 12.529 138 HA ASN 16 HA ASN 16 -2.228 13.145 15.179 139 HB2 ASN 16 HB2 ASN 16 -0.501 10.955 14.012 140 HB3 ASN 16 HB3 ASN 16 -1.031 10.991 15.691 141 HD21 ASN 16 HD21 ASN 16 -3.575 11.722 15.611 142 HD22 ASN 16 HD22 ASN 16 -4.525 10.611 14.690 143 H HIS 17 H HIS 17 0.956 13.005 13.619 144 HA HIS 17 HA HIS 17 2.439 13.550 15.973 145 HB2 HIS 17 HB2 HIS 17 3.409 12.506 13.942 146 HB3 HIS 17 HB3 HIS 17 3.230 14.039 13.094 147 HD1 HIS 17 HD1 HIS 17 5.707 12.146 14.741 148 HD2 HIS 17 HD2 HIS 17 4.712 16.180 14.706 149 HE1 HIS 17 HE1 HIS 17 7.765 13.353 15.537 150 H PHE 18 H PHE 18 1.343 15.608 13.294 151 HA PHE 18 HA PHE 18 2.222 17.982 14.753 152 HB2 PHE 18 HB2 PHE 18 1.099 17.687 11.959 153 HB3 PHE 18 HB3 PHE 18 1.664 19.196 12.669 154 HD1 PHE 18 HD1 PHE 18 4.052 19.540 13.114 155 HD2 PHE 18 HD2 PHE 18 2.624 16.052 11.137 156 HE1 PHE 18 HE1 PHE 18 6.332 19.059 12.325 157 HE2 PHE 18 HE2 PHE 18 4.902 15.564 10.345 158 HZ PHE 18 HZ PHE 18 6.759 17.069 10.938 159 H ASP 19 H ASP 19 0.548 19.917 14.191 160 HA ASP 19 HA ASP 19 -1.967 19.060 15.437 161 HB2 ASP 19 HB2 ASP 19 -1.122 21.926 15.149 162 HB3 ASP 19 HB3 ASP 19 -2.165 21.194 16.365 163 H ILE 20 H ILE 20 -1.181 18.987 12.505 164 HA ILE 20 HA ILE 20 -2.939 20.912 11.264 165 HB ILE 20 HB ILE 20 -0.799 20.018 10.224 166 HG12 ILE 20 HG12 ILE 20 -3.274 19.715 8.517 167 HG13 ILE 20 HG13 ILE 20 -2.632 21.273 9.024 168 HG21 ILE 20 HG21 ILE 20 -2.564 17.658 9.587 169 HG22 ILE 20 HG22 ILE 20 -0.915 17.921 9.023 170 HG23 ILE 20 HG23 ILE 20 -1.227 17.646 10.737 171 HD11 ILE 20 HD11 ILE 20 -1.989 19.928 6.725 172 HD12 ILE 20 HD12 ILE 20 -1.067 21.247 7.447 173 HD13 ILE 20 HD13 ILE 20 -0.626 19.574 7.787 174 H GLU 21 H GLU 21 -4.687 20.251 9.804 175 HA GLU 21 HA GLU 21 -6.333 18.211 11.067 176 HB2 GLU 21 HB2 GLU 21 -6.802 20.601 9.430 177 HB3 GLU 21 HB3 GLU 21 -7.841 19.244 9.020 178 HG2 GLU 21 HG2 GLU 21 -7.511 20.332 11.804 179 HG3 GLU 21 HG3 GLU 21 -8.796 20.810 10.696 180 H ALA 22 H ALA 22 -6.618 16.235 10.275 181 HA ALA 22 HA ALA 22 -5.187 15.216 8.113 182 HB1 ALA 22 HB1 ALA 22 -5.819 13.378 9.189 183 HB2 ALA 22 HB2 ALA 22 -7.127 14.234 10.006 184 HB3 ALA 22 HB3 ALA 22 -7.392 13.537 8.408 185 H ASP 23 H ASP 23 -8.118 16.988 8.166 186 HA ASP 23 HA ASP 23 -8.886 16.099 5.488 187 HB2 ASP 23 HB2 ASP 23 -10.245 17.813 7.563 188 HB3 ASP 23 HB3 ASP 23 -10.847 17.689 5.912 189 H GLN 24 H GLN 24 -7.475 18.801 7.162 190 HA GLN 24 HA GLN 24 -7.772 20.634 4.961 191 HB2 GLN 24 HB2 GLN 24 -6.180 20.780 7.523 192 HB3 GLN 24 HB3 GLN 24 -6.246 22.080 6.340 193 HG2 GLN 24 HG2 GLN 24 -8.701 22.168 6.644 194 HG3 GLN 24 HG3 GLN 24 -8.547 20.963 7.923 195 HE21 GLN 24 HE21 GLN 24 -9.351 22.333 9.494 196 HE22 GLN 24 HE22 GLN 24 -8.451 23.675 10.105 197 H VAL 25 H VAL 25 -5.335 18.430 6.155 198 HA VAL 25 HA VAL 25 -3.033 19.293 4.966 199 HB VAL 25 HB VAL 25 -2.532 16.794 4.584 200 HG11 VAL 25 HG11 VAL 25 -3.228 17.935 7.283 201 HG12 VAL 25 HG12 VAL 25 -2.366 16.411 7.062 202 HG13 VAL 25 HG13 VAL 25 -1.654 17.920 6.488 203 HG21 VAL 25 HG21 VAL 25 -4.738 16.138 6.413 204 HG22 VAL 25 HG22 VAL 25 -5.222 16.511 4.759 205 HG23 VAL 25 HG23 VAL 25 -4.065 15.216 5.068 206 H THR 26 H THR 26 -2.928 20.154 2.982 207 HA THR 26 HA THR 26 -3.885 18.512 0.730 208 HB THR 26 HB THR 26 -5.359 20.448 0.977 209 HG1 THR 26 HG1 THR 26 -4.787 19.709 -1.152 210 HG21 THR 26 HG21 THR 26 -4.499 22.723 0.667 211 HG22 THR 26 HG22 THR 26 -2.851 22.094 0.621 212 HG23 THR 26 HG23 THR 26 -3.804 21.966 2.099 213 H ASP 27 H ASP 27 -2.764 18.976 -1.329 214 HA ASP 27 HA ASP 27 0.031 18.827 -1.023 215 HB2 ASP 27 HB2 ASP 27 0.131 18.849 -3.452 216 HB3 ASP 27 HB3 ASP 27 -1.208 17.834 -2.923 217 H GLN 28 H GLN 28 -2.069 21.496 -1.124 218 HA GLN 28 HA GLN 28 0.049 23.336 -1.960 219 HB2 GLN 28 HB2 GLN 28 -2.923 23.614 -1.615 220 HB3 GLN 28 HB3 GLN 28 -1.888 25.032 -1.720 221 HG2 GLN 28 HG2 GLN 28 -1.658 24.837 -3.924 222 HG3 GLN 28 HG3 GLN 28 -1.375 23.099 -3.830 223 HE21 GLN 28 HE21 GLN 28 -3.996 25.462 -3.475 224 HE22 GLN 28 HE22 GLN 28 -5.201 24.500 -4.253 225 H LEU 29 H LEU 29 -0.356 21.852 0.724 226 HA LEU 29 HA LEU 29 0.198 24.209 2.383 227 HB2 LEU 29 HB2 LEU 29 -1.794 22.040 2.884 228 HB3 LEU 29 HB3 LEU 29 -0.990 22.820 4.244 229 HG LEU 29 HG LEU 29 -2.698 24.201 2.175 230 HD11 LEU 29 HD11 LEU 29 -3.577 22.634 4.204 231 HD12 LEU 29 HD12 LEU 29 -4.461 24.012 3.549 232 HD13 LEU 29 HD13 LEU 29 -3.481 24.204 5.002 233 HD21 LEU 29 HD21 LEU 29 -1.032 25.179 4.452 234 HD22 LEU 29 HD22 LEU 29 -2.518 26.029 4.025 235 HD23 LEU 29 HD23 LEU 29 -1.230 25.851 2.833 236 H ASN 30 H ASN 30 2.404 23.461 1.892 237 HA ASN 30 HA ASN 30 3.454 20.995 2.621 238 HB2 ASN 30 HB2 ASN 30 4.853 22.411 1.355 239 HB3 ASN 30 HB3 ASN 30 4.667 23.748 2.487 240 HD21 ASN 30 HD21 ASN 30 5.402 20.353 3.122 241 HD22 ASN 30 HD22 ASN 30 6.940 20.640 3.855 242 H ILE 31 H ILE 31 3.776 20.014 4.505 243 HA ILE 31 HA ILE 31 2.966 21.188 6.954 244 HB ILE 31 HB ILE 31 4.520 18.651 6.439 245 HG12 ILE 31 HG12 ILE 31 2.032 17.933 7.312 246 HG13 ILE 31 HG13 ILE 31 1.668 19.386 6.388 247 HG21 ILE 31 HG21 ILE 31 3.520 19.912 8.941 248 HG22 ILE 31 HG22 ILE 31 3.449 18.157 8.793 249 HG23 ILE 31 HG23 ILE 31 4.996 18.992 8.651 250 HD11 ILE 31 HD11 ILE 31 2.191 18.422 4.412 251 HD12 ILE 31 HD12 ILE 31 3.439 17.392 5.115 252 HD13 ILE 31 HD13 ILE 31 1.738 16.968 5.301 253 H LYS 32 H LYS 32 6.141 20.442 5.568 254 HA LYS 32 HA LYS 32 7.807 20.992 7.668 255 HB2 LYS 32 HB2 LYS 32 8.520 20.237 5.404 256 HB3 LYS 32 HB3 LYS 32 8.272 21.875 4.814 257 HG2 LYS 32 HG2 LYS 32 10.055 21.520 7.154 258 HG3 LYS 32 HG3 LYS 32 10.646 20.984 5.580 259 HD2 LYS 32 HD2 LYS 32 9.382 23.594 5.444 260 HD3 LYS 32 HD3 LYS 32 10.729 23.567 6.584 261 HE2 LYS 32 HE2 LYS 32 11.720 24.131 4.546 262 HE3 LYS 32 HE3 LYS 32 12.039 22.405 4.715 263 HZ1 LYS 32 HZ1 LYS 32 9.805 22.244 3.384 264 HZ2 LYS 32 HZ2 LYS 32 11.277 22.479 2.586 265 HZ3 LYS 32 HZ3 LYS 32 10.245 23.791 2.861 266 H ASP 33 H ASP 33 6.310 23.328 5.463 267 HA ASP 33 HA ASP 33 7.453 25.560 6.928 268 HB2 ASP 33 HB2 ASP 33 7.114 25.453 4.378 269 HB3 ASP 33 HB3 ASP 33 5.415 25.765 4.722 270 H ASP 34 H ASP 34 4.158 24.521 6.037 271 HA ASP 34 HA ASP 34 2.676 26.282 7.503 272 HB2 ASP 34 HB2 ASP 34 1.679 24.605 6.023 273 HB3 ASP 34 HB3 ASP 34 2.126 23.327 7.150 274 H LEU 35 H LEU 35 3.751 23.093 8.693 275 HA LEU 35 HA LEU 35 3.038 23.770 11.402 276 HB2 LEU 35 HB2 LEU 35 4.260 21.388 10.066 277 HB3 LEU 35 HB3 LEU 35 4.278 21.531 11.822 278 HG LEU 35 HG LEU 35 2.439 20.129 11.098 279 HD11 LEU 35 HD11 LEU 35 0.748 21.097 12.391 280 HD12 LEU 35 HD12 LEU 35 1.233 22.737 11.962 281 HD13 LEU 35 HD13 LEU 35 2.242 21.773 13.040 282 HD21 LEU 35 HD21 LEU 35 1.000 20.612 9.433 283 HD22 LEU 35 HD22 LEU 35 2.294 21.685 8.899 284 HD23 LEU 35 HD23 LEU 35 0.943 22.329 9.834 285 H ASN 36 H ASN 36 5.792 24.108 9.410 286 HA ASN 36 HA ASN 36 7.855 24.995 9.781 287 HB2 ASN 36 HB2 ASN 36 6.249 26.288 11.581 288 HB3 ASN 36 HB3 ASN 36 7.474 25.590 12.637 289 HD21 ASN 36 HD21 ASN 36 6.706 28.302 11.122 290 HD22 ASN 36 HD22 ASN 36 8.274 28.944 10.781 291 H ALA 37 H ALA 37 7.197 22.184 10.376 292 HA ALA 37 HA ALA 37 8.354 21.111 12.613 293 HB1 ALA 37 HB1 ALA 37 8.450 19.090 11.495 294 HB2 ALA 37 HB2 ALA 37 7.230 19.970 10.574 295 HB3 ALA 37 HB3 ALA 37 8.877 19.842 9.957 296 H ASP 38 H ASP 38 10.406 20.490 13.248 297 HA ASP 38 HA ASP 38 12.541 22.166 12.481 298 HB2 ASP 38 HB2 ASP 38 12.695 19.546 13.987 299 HB3 ASP 38 HB3 ASP 38 13.907 20.824 13.981 300 H SER 39 H SER 39 14.785 20.994 12.033 301 HA SER 39 HA SER 39 14.486 19.824 9.409 302 HB2 SER 39 HB2 SER 39 17.212 19.855 10.368 303 HB3 SER 39 HB3 SER 39 16.491 20.759 9.038 304 HG SER 39 HG SER 39 15.805 22.312 10.553 305 H ILE 40 H ILE 40 16.053 18.866 12.460 306 HA ILE 40 HA ILE 40 16.962 16.367 11.753 307 HB ILE 40 HB ILE 40 15.762 17.157 14.410 308 HG12 ILE 40 HG12 ILE 40 17.600 18.626 13.693 309 HG13 ILE 40 HG13 ILE 40 18.074 17.636 15.069 310 HG21 ILE 40 HG21 ILE 40 17.635 14.898 13.714 311 HG22 ILE 40 HG22 ILE 40 17.116 15.343 15.338 312 HG23 ILE 40 HG23 ILE 40 15.940 14.738 14.172 313 HD11 ILE 40 HD11 ILE 40 18.813 17.165 12.191 314 HD12 ILE 40 HD12 ILE 40 19.871 17.763 13.470 315 HD13 ILE 40 HD13 ILE 40 19.247 16.116 13.541 316 H SER 41 H SER 41 13.727 17.256 12.905 317 HA SER 41 HA SER 41 12.580 14.766 13.152 318 HB2 SER 41 HB2 SER 41 11.641 17.286 13.372 319 HB3 SER 41 HB3 SER 41 10.893 16.825 11.843 320 HG SER 41 HG SER 41 10.711 15.371 14.276 321 H VAL 42 H VAL 42 13.204 16.617 10.230 322 HA VAL 42 HA VAL 42 11.689 15.196 8.391 323 HB VAL 42 HB VAL 42 14.432 16.372 7.919 324 HG11 VAL 42 HG11 VAL 42 13.059 16.710 5.614 325 HG12 VAL 42 HG12 VAL 42 14.135 15.348 5.935 326 HG13 VAL 42 HG13 VAL 42 12.395 15.174 6.168 327 HG21 VAL 42 HG21 VAL 42 11.688 17.606 7.879 328 HG22 VAL 42 HG22 VAL 42 13.089 18.094 8.834 329 HG23 VAL 42 HG23 VAL 42 13.083 18.341 7.088 330 H MET 43 H MET 43 14.873 14.467 9.727 331 HA MET 43 HA MET 43 15.520 12.325 8.027 332 HB2 MET 43 HB2 MET 43 16.832 13.642 9.992 333 HB3 MET 43 HB3 MET 43 16.431 12.152 10.835 334 HG2 MET 43 HG2 MET 43 18.563 11.820 9.916 335 HG3 MET 43 HG3 MET 43 17.449 10.917 8.891 336 HE1 MET 43 HE1 MET 43 20.104 12.062 6.304 337 HE2 MET 43 HE2 MET 43 20.125 11.197 7.841 338 HE3 MET 43 HE3 MET 43 18.927 10.786 6.614 339 H GLU 44 H GLU 44 13.340 12.572 10.694 340 HA GLU 44 HA GLU 44 13.185 9.707 11.110 341 HB2 GLU 44 HB2 GLU 44 11.583 11.989 12.278 342 HB3 GLU 44 HB3 GLU 44 11.400 10.302 12.740 343 HG2 GLU 44 HG2 GLU 44 14.114 11.473 12.903 344 HG3 GLU 44 HG3 GLU 44 12.924 11.997 14.092 345 H PHE 45 H PHE 45 10.991 12.279 9.988 346 HA PHE 45 HA PHE 45 8.839 10.642 9.299 347 HB2 PHE 45 HB2 PHE 45 9.691 13.236 7.994 348 HB3 PHE 45 HB3 PHE 45 8.094 12.503 7.880 349 HD1 PHE 45 HD1 PHE 45 7.249 11.808 10.433 350 HD2 PHE 45 HD2 PHE 45 9.731 15.086 9.331 351 HE1 PHE 45 HE1 PHE 45 6.550 13.014 12.460 352 HE2 PHE 45 HE2 PHE 45 9.036 16.297 11.357 353 HZ PHE 45 HZ PHE 45 7.444 15.261 12.925 354 H VAL 46 H VAL 46 11.637 11.667 7.390 355 HA VAL 46 HA VAL 46 10.815 10.495 4.954 356 HB VAL 46 HB VAL 46 12.609 12.218 5.165 357 HG11 VAL 46 HG11 VAL 46 14.714 11.767 6.005 358 HG12 VAL 46 HG12 VAL 46 13.674 10.884 7.125 359 HG13 VAL 46 HG13 VAL 46 14.521 10.022 5.839 360 HG21 VAL 46 HG21 VAL 46 14.052 11.261 3.419 361 HG22 VAL 46 HG22 VAL 46 13.366 9.668 3.740 362 HG23 VAL 46 HG23 VAL 46 12.343 10.957 3.105 363 H LEU 47 H LEU 47 12.137 9.170 7.836 364 HA LEU 47 HA LEU 47 13.174 6.779 6.601 365 HB2 LEU 47 HB2 LEU 47 13.950 7.927 8.783 366 HB3 LEU 47 HB3 LEU 47 12.590 7.084 9.523 367 HG LEU 47 HG LEU 47 13.906 5.072 8.181 368 HD11 LEU 47 HD11 LEU 47 16.271 5.408 9.153 369 HD12 LEU 47 HD12 LEU 47 15.867 7.124 9.132 370 HD13 LEU 47 HD13 LEU 47 15.859 6.199 7.631 371 HD21 LEU 47 HD21 LEU 47 12.928 5.018 10.443 372 HD22 LEU 47 HD22 LEU 47 14.309 5.935 11.044 373 HD23 LEU 47 HD23 LEU 47 14.545 4.314 10.388 374 H GLU 48 H GLU 48 10.448 7.532 8.768 375 HA GLU 48 HA GLU 48 9.318 4.988 8.841 376 HB2 GLU 48 HB2 GLU 48 7.156 6.243 9.319 377 HB3 GLU 48 HB3 GLU 48 8.509 6.569 10.394 378 HG2 GLU 48 HG2 GLU 48 8.958 8.650 9.302 379 HG3 GLU 48 HG3 GLU 48 7.762 8.305 8.054 380 H LEU 49 H LEU 49 8.852 7.623 6.534 381 HA LEU 49 HA LEU 49 6.778 6.378 5.059 382 HB2 LEU 49 HB2 LEU 49 8.769 8.447 4.139 383 HB3 LEU 49 HB3 LEU 49 7.243 8.048 3.352 384 HG LEU 49 HG LEU 49 7.230 9.042 6.170 385 HD11 LEU 49 HD11 LEU 49 6.938 11.075 4.067 386 HD12 LEU 49 HD12 LEU 49 8.578 10.480 4.323 387 HD13 LEU 49 HD13 LEU 49 7.678 11.185 5.665 388 HD21 LEU 49 HD21 LEU 49 5.185 8.165 5.060 389 HD22 LEU 49 HD22 LEU 49 5.328 9.457 3.868 390 HD23 LEU 49 HD23 LEU 49 5.054 9.849 5.566 391 H GLU 50 H GLU 50 10.228 6.824 4.252 392 HA GLU 50 HA GLU 50 10.227 5.197 1.978 393 HB2 GLU 50 HB2 GLU 50 12.532 5.432 1.963 394 HB3 GLU 50 HB3 GLU 50 12.031 6.834 2.897 395 HG2 GLU 50 HG2 GLU 50 13.607 6.137 4.323 396 HG3 GLU 50 HG3 GLU 50 12.350 5.029 4.872 397 H ASP 51 H ASP 51 10.169 4.386 5.315 398 HA ASP 51 HA ASP 51 11.167 1.694 4.936 399 HB2 ASP 51 HB2 ASP 51 11.645 2.850 7.034 400 HB3 ASP 51 HB3 ASP 51 9.921 3.028 7.348 401 H GLU 52 H GLU 52 8.102 2.992 6.228 402 HA GLU 52 HA GLU 52 6.625 0.670 6.145 403 HB2 GLU 52 HB2 GLU 52 5.990 2.990 7.061 404 HB3 GLU 52 HB3 GLU 52 5.420 3.333 5.434 405 HG2 GLU 52 HG2 GLU 52 3.475 2.509 6.122 406 HG3 GLU 52 HG3 GLU 52 4.237 0.927 5.967 407 H PHE 53 H PHE 53 6.677 3.194 3.623 408 HA PHE 53 HA PHE 53 5.171 1.705 1.756 409 HB2 PHE 53 HB2 PHE 53 7.152 3.881 1.083 410 HB3 PHE 53 HB3 PHE 53 5.719 3.411 0.175 411 HD1 PHE 53 HD1 PHE 53 3.803 3.197 2.489 412 HD2 PHE 53 HD2 PHE 53 6.692 6.149 1.463 413 HE1 PHE 53 HE1 PHE 53 2.488 4.896 3.688 414 HE2 PHE 53 HE2 PHE 53 5.381 7.853 2.660 415 HZ PHE 53 HZ PHE 53 3.276 7.227 3.774 416 H GLY 54 H GLY 54 8.550 1.761 2.562 417 HA2 GLY 54 HA2 GLY 54 10.234 0.312 1.948 418 HA3 GLY 54 HA3 GLY 54 9.043 -0.606 1.038 419 H THR 55 H THR 55 10.441 2.669 0.816 420 HA THR 55 HA THR 55 11.278 2.049 -1.928 421 HB THR 55 HB THR 55 9.131 3.237 -2.101 422 HG1 THR 55 HG1 THR 55 10.793 3.625 -3.669 423 HG21 THR 55 HG21 THR 55 9.748 4.559 0.118 424 HG22 THR 55 HG22 THR 55 8.653 5.233 -1.089 425 HG23 THR 55 HG23 THR 55 10.340 5.742 -1.048 426 H GLU 56 H GLU 56 12.829 3.659 -2.792 427 HA GLU 56 HA GLU 56 14.639 4.517 -0.657 428 HB2 GLU 56 HB2 GLU 56 15.339 3.022 -2.645 429 HB3 GLU 56 HB3 GLU 56 15.295 4.503 -3.591 430 HG2 GLU 56 HG2 GLU 56 16.894 5.495 -1.938 431 HG3 GLU 56 HG3 GLU 56 17.048 3.888 -1.230 432 H ILE 57 H ILE 57 14.634 6.572 -0.064 433 HA ILE 57 HA ILE 57 13.708 8.599 -1.984 434 HB ILE 57 HB ILE 57 13.905 8.877 1.015 435 HG12 ILE 57 HG12 ILE 57 11.496 8.260 -0.710 436 HG13 ILE 57 HG13 ILE 57 12.264 7.154 0.423 437 HG21 ILE 57 HG21 ILE 57 13.120 10.978 0.797 438 HG22 ILE 57 HG22 ILE 57 13.812 10.848 -0.819 439 HG23 ILE 57 HG23 ILE 57 12.089 10.565 -0.573 440 HD11 ILE 57 HD11 ILE 57 11.737 9.137 2.106 441 HD12 ILE 57 HD12 ILE 57 10.462 9.439 0.925 442 HD13 ILE 57 HD13 ILE 57 10.566 7.873 1.728 443 H SER 58 H SER 58 15.196 9.863 -2.860 444 HA SER 58 HA SER 58 17.907 9.798 -2.282 445 HB2 SER 58 HB2 SER 58 16.134 11.426 -3.944 446 HB3 SER 58 HB3 SER 58 17.543 12.316 -3.367 447 HG SER 58 HG SER 58 17.958 9.749 -4.373 448 H ASP 59 H ASP 59 19.213 11.810 -1.659 449 HA ASP 59 HA ASP 59 18.414 12.553 1.010 450 HB2 ASP 59 HB2 ASP 59 20.776 11.955 0.323 451 HB3 ASP 59 HB3 ASP 59 20.846 13.509 -0.503 452 H GLU 60 H GLU 60 19.159 14.299 -2.000 453 HA GLU 60 HA GLU 60 18.480 16.855 -0.974 454 HB2 GLU 60 HB2 GLU 60 18.471 17.548 -3.367 455 HB3 GLU 60 HB3 GLU 60 19.933 16.700 -2.883 456 HG2 GLU 60 HG2 GLU 60 18.498 14.626 -3.781 457 HG3 GLU 60 HG3 GLU 60 17.819 15.910 -4.780 458 H ASP 61 H ASP 61 16.721 14.534 -3.008 459 HA ASP 61 HA ASP 61 14.405 16.035 -3.406 460 HB2 ASP 61 HB2 ASP 61 15.278 13.425 -3.992 461 HB3 ASP 61 HB3 ASP 61 13.767 13.239 -3.106 462 H ALA 62 H ALA 62 15.252 13.802 -0.791 463 HA ALA 62 HA ALA 62 12.809 13.794 0.557 464 HB1 ALA 62 HB1 ALA 62 14.641 12.247 1.059 465 HB2 ALA 62 HB2 ALA 62 15.571 13.578 1.751 466 HB3 ALA 62 HB3 ALA 62 14.063 13.066 2.511 467 H GLU 63 H GLU 63 15.078 16.309 0.169 468 HA GLU 63 HA GLU 63 14.299 17.741 2.566 469 HB2 GLU 63 HB2 GLU 63 16.607 17.739 1.239 470 HB3 GLU 63 HB3 GLU 63 15.831 19.062 0.380 471 HG2 GLU 63 HG2 GLU 63 16.087 20.473 2.084 472 HG3 GLU 63 HG3 GLU 63 15.593 19.272 3.276 473 H LYS 64 H LYS 64 13.272 17.471 -0.682 474 HA LYS 64 HA LYS 64 11.801 20.008 -0.544 475 HB2 LYS 64 HB2 LYS 64 11.955 18.214 -2.953 476 HB3 LYS 64 HB3 LYS 64 11.595 19.934 -2.891 477 HG2 LYS 64 HG2 LYS 64 13.983 20.228 -2.044 478 HG3 LYS 64 HG3 LYS 64 14.244 18.566 -2.578 479 HD2 LYS 64 HD2 LYS 64 13.135 20.713 -4.375 480 HD3 LYS 64 HD3 LYS 64 14.862 20.375 -4.234 481 HE2 LYS 64 HE2 LYS 64 14.147 17.924 -4.735 482 HE3 LYS 64 HE3 LYS 64 12.679 18.670 -5.365 483 HZ1 LYS 64 HZ1 LYS 64 15.312 19.645 -6.246 484 HZ2 LYS 64 HZ2 LYS 64 13.825 19.712 -7.048 485 HZ3 LYS 64 HZ3 LYS 64 14.661 18.246 -6.938 486 H ILE 65 H ILE 65 11.339 16.551 -1.188 487 HA ILE 65 HA ILE 65 8.498 16.735 -1.386 488 HB ILE 65 HB ILE 65 8.560 14.244 -1.163 489 HG12 ILE 65 HG12 ILE 65 11.444 14.057 -1.533 490 HG13 ILE 65 HG13 ILE 65 11.021 14.724 0.040 491 HG21 ILE 65 HG21 ILE 65 9.580 13.864 -3.318 492 HG22 ILE 65 HG22 ILE 65 8.729 15.408 -3.333 493 HG23 ILE 65 HG23 ILE 65 10.487 15.371 -3.189 494 HD11 ILE 65 HD11 ILE 65 9.316 12.599 -0.173 495 HD12 ILE 65 HD12 ILE 65 10.773 12.008 -0.972 496 HD13 ILE 65 HD13 ILE 65 10.856 12.603 0.686 497 H GLU 66 H GLU 66 8.465 18.090 0.687 498 HA GLU 66 HA GLU 66 8.077 16.290 2.989 499 HB2 GLU 66 HB2 GLU 66 9.064 19.141 2.927 500 HB3 GLU 66 HB3 GLU 66 8.528 18.343 4.399 501 HG2 GLU 66 HG2 GLU 66 10.318 16.544 3.400 502 HG3 GLU 66 HG3 GLU 66 11.033 18.084 2.926 503 H THR 67 H THR 67 6.278 17.413 0.781 504 HA THR 67 HA THR 67 4.254 18.631 2.544 505 HB THR 67 HB THR 67 3.565 20.030 0.896 506 HG1 THR 67 HG1 THR 67 3.453 19.437 -1.273 507 HG21 THR 67 HG21 THR 67 6.146 19.479 -0.515 508 HG22 THR 67 HG22 THR 67 6.161 20.121 1.128 509 HG23 THR 67 HG23 THR 67 5.370 21.022 -0.164 510 H VAL 68 H VAL 68 1.997 18.108 2.023 511 HA VAL 68 HA VAL 68 1.427 15.426 2.097 512 HB VAL 68 HB VAL 68 -0.375 17.533 0.898 513 HG11 VAL 68 HG11 VAL 68 -1.055 15.164 0.555 514 HG12 VAL 68 HG12 VAL 68 -1.095 14.968 2.309 515 HG13 VAL 68 HG13 VAL 68 -2.194 16.101 1.521 516 HG21 VAL 68 HG21 VAL 68 -1.287 17.680 3.227 517 HG22 VAL 68 HG22 VAL 68 0.101 16.734 3.765 518 HG23 VAL 68 HG23 VAL 68 0.345 18.320 3.034 519 H GLY 69 H GLY 69 1.403 17.530 -0.774 520 HA2 GLY 69 HA2 GLY 69 0.843 15.303 -2.531 521 HA3 GLY 69 HA3 GLY 69 1.137 16.967 -3.013 522 H ALA 70 H ALA 70 3.630 17.387 -1.843 523 HA ALA 70 HA ALA 70 5.353 16.358 -3.793 524 HB1 ALA 70 HB1 ALA 70 6.447 17.229 -1.164 525 HB2 ALA 70 HB2 ALA 70 7.007 17.592 -2.797 526 HB3 ALA 70 HB3 ALA 70 5.576 18.399 -2.155 527 H ALA 71 H ALA 71 4.166 14.938 -0.928 528 HA ALA 71 HA ALA 71 6.377 13.083 -0.623 529 HB1 ALA 71 HB1 ALA 71 5.234 12.255 1.292 530 HB2 ALA 71 HB2 ALA 71 5.092 14.013 1.320 531 HB3 ALA 71 HB3 ALA 71 3.725 13.026 0.802 532 H VAL 72 H VAL 72 2.858 12.596 -0.982 533 HA VAL 72 HA VAL 72 2.970 9.937 -1.772 534 HB VAL 72 HB VAL 72 0.875 10.946 -1.111 535 HG11 VAL 72 HG11 VAL 72 1.434 13.169 -2.221 536 HG12 VAL 72 HG12 VAL 72 0.801 12.458 -3.707 537 HG13 VAL 72 HG13 VAL 72 -0.245 12.637 -2.298 538 HG21 VAL 72 HG21 VAL 72 0.966 9.011 -2.761 539 HG22 VAL 72 HG22 VAL 72 -0.553 9.901 -2.663 540 HG23 VAL 72 HG23 VAL 72 0.555 10.194 -4.004 541 H ASP 73 H ASP 73 3.119 12.878 -3.725 542 HA ASP 73 HA ASP 73 2.976 11.671 -6.255 543 HB2 ASP 73 HB2 ASP 73 2.707 14.080 -5.944 544 HB3 ASP 73 HB3 ASP 73 4.384 14.216 -5.423 545 H TYR 74 H TYR 74 5.550 11.890 -3.953 546 HA TYR 74 HA TYR 74 7.584 11.148 -5.894 547 HB2 TYR 74 HB2 TYR 74 8.122 12.753 -4.093 548 HB3 TYR 74 HB3 TYR 74 7.797 11.504 -2.896 549 HD1 TYR 74 HD2 TYR 74 9.940 12.144 -5.886 550 HD2 TYR 74 HD1 TYR 74 9.558 10.221 -2.110 551 HE1 TYR 74 HE2 TYR 74 12.281 11.403 -6.033 552 HE2 TYR 74 HE1 TYR 74 11.897 9.475 -2.246 553 HH TYR 74 HH TYR 74 13.642 9.383 -4.973 554 H ILE 75 H ILE 75 6.236 9.788 -2.887 555 HA ILE 75 HA ILE 75 7.546 7.328 -2.988 556 HB ILE 75 HB ILE 75 4.787 7.831 -1.870 557 HG12 ILE 75 HG12 ILE 75 6.360 9.450 -0.961 558 HG13 ILE 75 HG13 ILE 75 5.964 8.254 0.268 559 HG21 ILE 75 HG21 ILE 75 6.555 5.940 -0.519 560 HG22 ILE 75 HG22 ILE 75 4.855 5.788 -0.961 561 HG23 ILE 75 HG23 ILE 75 6.110 5.453 -2.154 562 HD11 ILE 75 HD11 ILE 75 8.515 8.985 -0.810 563 HD12 ILE 75 HD12 ILE 75 8.131 7.960 0.573 564 HD13 ILE 75 HD13 ILE 75 8.220 7.262 -1.044 565 H VAL 76 H VAL 76 4.443 8.324 -4.371 566 HA VAL 76 HA VAL 76 3.748 5.752 -5.366 567 HB VAL 76 HB VAL 76 2.782 8.493 -6.190 568 HG11 VAL 76 HG11 VAL 76 1.905 5.741 -7.006 569 HG12 VAL 76 HG12 VAL 76 0.808 7.122 -7.070 570 HG13 VAL 76 HG13 VAL 76 2.290 7.126 -8.026 571 HG21 VAL 76 HG21 VAL 76 0.887 8.064 -4.792 572 HG22 VAL 76 HG22 VAL 76 1.430 6.417 -4.472 573 HG23 VAL 76 HG23 VAL 76 2.342 7.785 -3.835 574 H SER 77 H SER 77 4.761 8.694 -7.117 575 HA SER 77 HA SER 77 5.093 7.578 -9.615 576 HB2 SER 77 HB2 SER 77 5.249 10.026 -9.009 577 HB3 SER 77 HB3 SER 77 6.899 9.716 -8.471 578 HG SER 77 HG SER 77 7.485 9.230 -10.536 579 H ASN 78 H ASN 78 7.175 7.376 -6.827 580 HA ASN 78 HA ASN 78 9.382 6.247 -8.324 581 HB2 ASN 78 HB2 ASN 78 9.640 7.720 -6.269 582 HB3 ASN 78 HB3 ASN 78 9.081 6.345 -5.321 583 HD21 ASN 78 HD21 ASN 78 11.518 7.282 -7.705 584 HD22 ASN 78 HD22 ASN 78 12.764 6.252 -7.095 585 H SER 79 H SER 79 6.737 5.149 -6.315 586 HA SER 79 HA SER 79 5.906 3.081 -5.859 587 HB2 SER 79 HB2 SER 79 7.170 2.829 -8.489 588 HB3 SER 79 HB3 SER 79 7.061 1.299 -7.620 589 HG SER 79 HG SER 79 4.800 1.810 -7.310 Start of MODEL 10 1 H1 MET 1 H MET 1 2.561 0.812 0.872 2 HA MET 1 HA MET 1 3.241 -0.064 -1.114 3 HB2 MET 1 HB2 MET 1 1.165 -1.711 -0.260 4 HB3 MET 1 HB3 MET 1 0.759 -1.339 -1.930 5 HG2 MET 1 HG2 MET 1 3.430 -1.923 -2.082 6 HG3 MET 1 HG3 MET 1 2.857 -3.038 -0.843 7 HE1 MET 1 HE1 MET 1 2.705 -5.571 -2.111 8 HE2 MET 1 HE2 MET 1 3.043 -5.398 -3.834 9 HE3 MET 1 HE3 MET 1 4.017 -4.523 -2.652 10 H THR 2 H THR 2 -0.228 0.644 -1.573 11 HA THR 2 HA THR 2 0.372 1.930 -4.112 12 HB THR 2 HB THR 2 -1.578 0.395 -3.905 13 HG1 THR 2 HG1 THR 2 -3.086 2.018 -4.867 14 HG21 THR 2 HG21 THR 2 -3.252 2.445 -2.627 15 HG22 THR 2 HG22 THR 2 -2.086 1.671 -1.555 16 HG23 THR 2 HG23 THR 2 -3.261 0.693 -2.434 17 H ARG 3 H ARG 3 -1.016 3.982 -4.549 18 HA ARG 3 HA ARG 3 0.002 6.065 -2.989 19 HB2 ARG 3 HB2 ARG 3 -1.577 7.513 -4.229 20 HB3 ARG 3 HB3 ARG 3 -0.679 6.429 -5.283 21 HG2 ARG 3 HG2 ARG 3 -2.800 4.902 -4.957 22 HG3 ARG 3 HG3 ARG 3 -3.567 6.449 -4.595 23 HD2 ARG 3 HD2 ARG 3 -1.842 6.390 -6.986 24 HD3 ARG 3 HD3 ARG 3 -3.321 5.434 -7.081 25 HE ARG 3 HE ARG 3 -4.117 7.869 -6.118 26 HH11 ARG 3 HH11 ARG 3 -2.420 6.751 -8.944 27 HH12 ARG 3 HH12 ARG 3 -2.994 8.034 -9.957 28 HH21 ARG 3 HH21 ARG 3 -4.880 9.563 -7.441 29 HH22 ARG 3 HH22 ARG 3 -4.393 9.633 -9.100 30 H GLU 4 H GLU 4 -3.085 4.376 -2.858 31 HA GLU 4 HA GLU 4 -4.398 6.113 -1.075 32 HB2 GLU 4 HB2 GLU 4 -4.907 3.579 -2.300 33 HB3 GLU 4 HB3 GLU 4 -5.272 3.456 -0.585 34 HG2 GLU 4 HG2 GLU 4 -6.534 5.717 -1.027 35 HG3 GLU 4 HG3 GLU 4 -6.556 5.119 -2.685 36 H GLU 5 H GLU 5 -2.954 2.928 -0.351 37 HA GLU 5 HA GLU 5 -3.104 3.035 2.395 38 HB2 GLU 5 HB2 GLU 5 -0.939 1.792 0.692 39 HB3 GLU 5 HB3 GLU 5 -1.168 1.467 2.404 40 HG2 GLU 5 HG2 GLU 5 -3.037 0.801 0.148 41 HG3 GLU 5 HG3 GLU 5 -2.147 -0.317 1.180 42 H VAL 6 H VAL 6 -0.494 4.241 0.316 43 HA VAL 6 HA VAL 6 1.209 5.114 2.380 44 HB VAL 6 HB VAL 6 0.948 6.163 -0.442 45 HG11 VAL 6 HG11 VAL 6 2.481 7.124 1.770 46 HG12 VAL 6 HG12 VAL 6 3.570 6.469 0.546 47 HG13 VAL 6 HG13 VAL 6 2.415 7.732 0.116 48 HG21 VAL 6 HG21 VAL 6 2.243 4.466 -1.145 49 HG22 VAL 6 HG22 VAL 6 3.235 4.483 0.313 50 HG23 VAL 6 HG23 VAL 6 1.675 3.660 0.318 51 H LEU 7 H LEU 7 -1.063 6.982 0.360 52 HA LEU 7 HA LEU 7 -0.742 9.450 1.572 53 HB2 LEU 7 HB2 LEU 7 -1.977 9.395 -0.412 54 HB3 LEU 7 HB3 LEU 7 -3.068 8.152 0.197 55 HG LEU 7 HG LEU 7 -4.124 9.788 1.670 56 HD11 LEU 7 HD11 LEU 7 -1.783 11.333 1.000 57 HD12 LEU 7 HD12 LEU 7 -2.959 11.573 2.291 58 HD13 LEU 7 HD13 LEU 7 -3.261 12.244 0.689 59 HD21 LEU 7 HD21 LEU 7 -5.472 10.631 0.055 60 HD22 LEU 7 HD22 LEU 7 -4.564 9.497 -0.945 61 HD23 LEU 7 HD23 LEU 7 -4.125 11.206 -0.928 62 H GLN 8 H GLN 8 -3.011 6.850 2.417 63 HA GLN 8 HA GLN 8 -4.315 8.177 4.509 64 HB2 GLN 8 HB2 GLN 8 -3.913 5.304 3.782 65 HB3 GLN 8 HB3 GLN 8 -4.620 5.701 5.342 66 HG2 GLN 8 HG2 GLN 8 -5.832 7.140 3.115 67 HG3 GLN 8 HG3 GLN 8 -5.989 5.388 2.999 68 HE21 GLN 8 HE21 GLN 8 -8.269 5.785 3.256 69 HE22 GLN 8 HE22 GLN 8 -8.927 6.003 4.839 70 H LYS 9 H LYS 9 -1.757 5.701 4.768 71 HA LYS 9 HA LYS 9 -1.278 5.799 7.455 72 HB2 LYS 9 HB2 LYS 9 0.258 5.047 5.087 73 HB3 LYS 9 HB3 LYS 9 1.277 5.590 6.413 74 HG2 LYS 9 HG2 LYS 9 0.933 3.163 6.422 75 HG3 LYS 9 HG3 LYS 9 0.314 3.934 7.884 76 HD2 LYS 9 HD2 LYS 9 -1.650 3.713 5.722 77 HD3 LYS 9 HD3 LYS 9 -1.068 2.160 6.328 78 HE2 LYS 9 HE2 LYS 9 -1.584 3.909 8.532 79 HE3 LYS 9 HE3 LYS 9 -2.995 3.872 7.477 80 HZ1 LYS 9 HZ1 LYS 9 -3.378 2.094 8.853 81 HZ2 LYS 9 HZ2 LYS 9 -1.744 1.676 8.977 82 HZ3 LYS 9 HZ3 LYS 9 -2.601 1.327 7.561 83 H VAL 10 H VAL 10 0.539 7.717 5.052 84 HA VAL 10 HA VAL 10 2.006 9.278 6.780 85 HB VAL 10 HB VAL 10 0.818 10.073 4.120 86 HG11 VAL 10 HG11 VAL 10 2.976 11.400 5.756 87 HG12 VAL 10 HG12 VAL 10 2.602 11.792 4.076 88 HG13 VAL 10 HG13 VAL 10 1.400 12.071 5.337 89 HG21 VAL 10 HG21 VAL 10 2.280 8.565 3.361 90 HG22 VAL 10 HG22 VAL 10 3.535 9.712 3.827 91 HG23 VAL 10 HG23 VAL 10 3.070 8.417 4.930 92 H ALA 11 H ALA 11 -1.260 9.906 5.535 93 HA ALA 11 HA ALA 11 -1.634 12.403 6.760 94 HB1 ALA 11 HB1 ALA 11 -3.499 10.304 5.728 95 HB2 ALA 11 HB2 ALA 11 -4.125 11.720 6.574 96 HB3 ALA 11 HB3 ALA 11 -3.176 11.920 5.101 97 H LYS 12 H LYS 12 -2.162 9.120 7.925 98 HA LYS 12 HA LYS 12 -3.463 9.913 10.344 99 HB2 LYS 12 HB2 LYS 12 -3.583 7.637 9.150 100 HB3 LYS 12 HB3 LYS 12 -2.039 7.295 9.919 101 HG2 LYS 12 HG2 LYS 12 -3.049 7.614 12.114 102 HG3 LYS 12 HG3 LYS 12 -4.598 7.983 11.352 103 HD2 LYS 12 HD2 LYS 12 -4.660 5.701 12.050 104 HD3 LYS 12 HD3 LYS 12 -4.518 5.716 10.291 105 HE2 LYS 12 HE2 LYS 12 -2.495 4.740 10.328 106 HE3 LYS 12 HE3 LYS 12 -1.956 5.687 11.714 107 HZ1 LYS 12 HZ1 LYS 12 -3.964 3.633 12.215 108 HZ2 LYS 12 HZ2 LYS 12 -2.659 4.126 13.171 109 HZ3 LYS 12 HZ3 LYS 12 -2.400 3.096 11.854 110 H ILE 13 H ILE 13 -0.264 8.430 9.780 111 HA ILE 13 HA ILE 13 0.788 8.694 12.300 112 HB ILE 13 HB ILE 13 2.295 9.074 9.710 113 HG12 ILE 13 HG12 ILE 13 1.769 6.572 11.330 114 HG13 ILE 13 HG13 ILE 13 1.015 6.969 9.790 115 HG21 ILE 13 HG21 ILE 13 3.241 8.353 12.479 116 HG22 ILE 13 HG22 ILE 13 4.233 8.261 11.025 117 HG23 ILE 13 HG23 ILE 13 3.618 9.819 11.576 118 HD11 ILE 13 HD11 ILE 13 3.660 5.865 10.367 119 HD12 ILE 13 HD12 ILE 13 2.647 5.713 8.930 120 HD13 ILE 13 HD13 ILE 13 3.646 7.148 9.157 121 H ILE 14 H ILE 14 0.562 11.139 9.775 122 HA ILE 14 HA ILE 14 2.091 13.092 11.217 123 HB ILE 14 HB ILE 14 0.316 13.309 8.790 124 HG12 ILE 14 HG12 ILE 14 3.316 13.529 9.123 125 HG13 ILE 14 HG13 ILE 14 2.466 12.108 8.524 126 HG21 ILE 14 HG21 ILE 14 1.876 15.577 8.842 127 HG22 ILE 14 HG22 ILE 14 0.160 15.489 9.238 128 HG23 ILE 14 HG23 ILE 14 1.367 15.396 10.521 129 HD11 ILE 14 HD11 ILE 14 2.806 14.778 7.216 130 HD12 ILE 14 HD12 ILE 14 3.247 13.180 6.613 131 HD13 ILE 14 HD13 ILE 14 1.549 13.649 6.709 132 H SER 15 H SER 15 -1.355 12.519 10.623 133 HA SER 15 HA SER 15 -2.297 14.818 11.961 134 HB2 SER 15 HB2 SER 15 -4.479 13.709 11.943 135 HB3 SER 15 HB3 SER 15 -3.677 13.504 10.387 136 HG SER 15 HG SER 15 -3.986 11.613 12.468 137 H ASN 16 H ASN 16 -1.119 11.784 13.091 138 HA ASN 16 HA ASN 16 -2.288 12.126 15.739 139 HB2 ASN 16 HB2 ASN 16 -1.071 9.916 14.236 140 HB3 ASN 16 HB3 ASN 16 -0.594 9.972 15.930 141 HD21 ASN 16 HD21 ASN 16 -3.587 10.584 14.118 142 HD22 ASN 16 HD22 ASN 16 -4.585 9.569 15.097 143 H HIS 17 H HIS 17 0.888 12.081 14.176 144 HA HIS 17 HA HIS 17 2.386 12.502 16.546 145 HB2 HIS 17 HB2 HIS 17 3.345 11.599 14.439 146 HB3 HIS 17 HB3 HIS 17 3.148 13.184 13.698 147 HD1 HIS 17 HD1 HIS 17 5.639 11.201 15.234 148 HD2 HIS 17 HD2 HIS 17 4.637 15.229 15.403 149 HE1 HIS 17 HE1 HIS 17 7.696 12.370 16.085 150 H PHE 18 H PHE 18 1.236 14.706 14.008 151 HA PHE 18 HA PHE 18 2.096 16.997 15.607 152 HB2 PHE 18 HB2 PHE 18 0.943 16.885 12.812 153 HB3 PHE 18 HB3 PHE 18 1.543 18.333 13.612 154 HD1 PHE 18 HD2 PHE 18 2.496 15.108 12.130 155 HD2 PHE 18 HD1 PHE 18 3.875 18.789 13.763 156 HE1 PHE 18 HE2 PHE 18 4.753 14.641 11.268 157 HE2 PHE 18 HE1 PHE 18 6.134 18.328 12.904 158 HZ PHE 18 HZ PHE 18 6.575 16.253 11.653 159 H ASP 19 H ASP 19 0.355 18.934 15.060 160 HA ASP 19 HA ASP 19 -2.105 17.992 16.353 161 HB2 ASP 19 HB2 ASP 19 -1.355 20.884 16.056 162 HB3 ASP 19 HB3 ASP 19 -2.355 20.119 17.288 163 H ILE 20 H ILE 20 -1.363 17.976 13.398 164 HA ILE 20 HA ILE 20 -3.227 19.834 12.210 165 HB ILE 20 HB ILE 20 -1.065 19.034 11.128 166 HG12 ILE 20 HG12 ILE 20 -3.562 18.684 9.461 167 HG13 ILE 20 HG13 ILE 20 -2.948 20.251 9.977 168 HG21 ILE 20 HG21 ILE 20 -1.464 16.630 11.623 169 HG22 ILE 20 HG22 ILE 20 -2.749 16.640 10.417 170 HG23 ILE 20 HG23 ILE 20 -1.083 16.955 9.933 171 HD11 ILE 20 HD11 ILE 20 -1.138 18.402 8.509 172 HD12 ILE 20 HD12 ILE 20 -2.369 19.300 7.621 173 HD13 ILE 20 HD13 ILE 20 -1.153 20.165 8.561 174 H GLU 21 H GLU 21 -4.966 19.108 10.769 175 HA GLU 21 HA GLU 21 -6.482 16.961 12.029 176 HB2 GLU 21 HB2 GLU 21 -7.123 19.378 10.484 177 HB3 GLU 21 HB3 GLU 21 -8.121 17.985 10.092 178 HG2 GLU 21 HG2 GLU 21 -9.272 19.155 11.768 179 HG3 GLU 21 HG3 GLU 21 -8.557 17.753 12.563 180 H ALA 22 H ALA 22 -6.707 15.005 11.169 181 HA ALA 22 HA ALA 22 -5.306 14.140 8.919 182 HB1 ALA 22 HB1 ALA 22 -6.689 12.920 10.939 183 HB2 ALA 22 HB2 ALA 22 -7.679 12.548 9.527 184 HB3 ALA 22 HB3 ALA 22 -5.973 12.100 9.551 185 H ASP 23 H ASP 23 -8.305 15.772 9.143 186 HA ASP 23 HA ASP 23 -9.138 14.940 6.466 187 HB2 ASP 23 HB2 ASP 23 -10.481 16.068 8.822 188 HB3 ASP 23 HB3 ASP 23 -10.999 16.777 7.295 189 H GLN 24 H GLN 24 -7.813 17.657 8.194 190 HA GLN 24 HA GLN 24 -8.266 19.540 6.062 191 HB2 GLN 24 HB2 GLN 24 -6.606 19.694 8.580 192 HB3 GLN 24 HB3 GLN 24 -6.791 21.025 7.446 193 HG2 GLN 24 HG2 GLN 24 -9.252 20.909 7.830 194 HG3 GLN 24 HG3 GLN 24 -8.939 19.728 9.101 195 HE21 GLN 24 HE21 GLN 24 -10.228 21.721 10.034 196 HE22 GLN 24 HE22 GLN 24 -9.237 22.871 10.859 197 H VAL 25 H VAL 25 -5.681 17.438 7.126 198 HA VAL 25 HA VAL 25 -3.454 18.444 5.926 199 HB VAL 25 HB VAL 25 -2.809 16.027 5.436 200 HG11 VAL 25 HG11 VAL 25 -3.631 17.015 8.147 201 HG12 VAL 25 HG12 VAL 25 -2.841 15.451 7.934 202 HG13 VAL 25 HG13 VAL 25 -2.017 16.931 7.440 203 HG21 VAL 25 HG21 VAL 25 -4.290 14.344 6.564 204 HG22 VAL 25 HG22 VAL 25 -5.533 15.592 6.648 205 HG23 VAL 25 HG23 VAL 25 -4.948 15.036 5.081 206 H THR 26 H THR 26 -3.217 19.289 3.969 207 HA THR 26 HA THR 26 -4.213 17.773 1.656 208 HB THR 26 HB THR 26 -5.783 19.606 1.992 209 HG1 THR 26 HG1 THR 26 -5.506 19.243 -0.148 210 HG21 THR 26 HG21 THR 26 -4.223 21.103 3.218 211 HG22 THR 26 HG22 THR 26 -5.104 21.923 1.927 212 HG23 THR 26 HG23 THR 26 -3.419 21.459 1.690 213 H ASP 27 H ASP 27 -3.137 18.390 -0.386 214 HA ASP 27 HA ASP 27 -0.337 18.361 -0.114 215 HB2 ASP 27 HB2 ASP 27 -1.146 17.369 -2.075 216 HB3 ASP 27 HB3 ASP 27 -2.195 18.735 -2.444 217 H GLN 28 H GLN 28 -2.573 20.935 -0.109 218 HA GLN 28 HA GLN 28 -0.535 22.909 -0.826 219 HB2 GLN 28 HB2 GLN 28 -3.520 22.994 -0.555 220 HB3 GLN 28 HB3 GLN 28 -2.589 24.484 -0.481 221 HG2 GLN 28 HG2 GLN 28 -1.622 23.944 -2.688 222 HG3 GLN 28 HG3 GLN 28 -2.661 22.522 -2.762 223 HE21 GLN 28 HE21 GLN 28 -2.359 25.527 -3.886 224 HE22 GLN 28 HE22 GLN 28 -4.018 25.951 -4.117 225 H LEU 29 H LEU 29 -0.882 21.284 1.778 226 HA LEU 29 HA LEU 29 -0.470 23.584 3.554 227 HB2 LEU 29 HB2 LEU 29 -2.360 21.304 3.911 228 HB3 LEU 29 HB3 LEU 29 -1.590 22.014 5.328 229 HG LEU 29 HG LEU 29 -3.342 23.479 3.354 230 HD11 LEU 29 HD11 LEU 29 -5.088 22.884 4.583 231 HD12 LEU 29 HD12 LEU 29 -4.289 23.422 6.059 232 HD13 LEU 29 HD13 LEU 29 -4.039 21.778 5.471 233 HD21 LEU 29 HD21 LEU 29 -2.145 25.227 4.122 234 HD22 LEU 29 HD22 LEU 29 -1.575 24.353 5.544 235 HD23 LEU 29 HD23 LEU 29 -3.192 25.059 5.531 236 H ASN 30 H ASN 30 1.778 22.977 3.044 237 HA ASN 30 HA ASN 30 2.949 20.536 3.677 238 HB2 ASN 30 HB2 ASN 30 4.280 22.062 2.471 239 HB3 ASN 30 HB3 ASN 30 4.020 23.350 3.644 240 HD21 ASN 30 HD21 ASN 30 4.926 19.981 4.181 241 HD22 ASN 30 HD22 ASN 30 6.444 20.324 4.930 242 H ILE 31 H ILE 31 3.305 19.501 5.524 243 HA ILE 31 HA ILE 31 2.465 20.586 8.017 244 HB ILE 31 HB ILE 31 4.016 18.067 7.410 245 HG12 ILE 31 HG12 ILE 31 1.454 17.450 8.329 246 HG13 ILE 31 HG13 ILE 31 1.212 18.809 7.237 247 HG21 ILE 31 HG21 ILE 31 4.453 18.681 9.681 248 HG22 ILE 31 HG22 ILE 31 2.747 19.021 9.969 249 HG23 ILE 31 HG23 ILE 31 3.280 17.364 9.686 250 HD11 ILE 31 HD11 ILE 31 2.997 16.744 6.195 251 HD12 ILE 31 HD12 ILE 31 1.343 16.204 6.490 252 HD13 ILE 31 HD13 ILE 31 1.646 17.578 5.428 253 H LYS 32 H LYS 32 5.651 19.793 6.658 254 HA LYS 32 HA LYS 32 7.279 20.350 8.793 255 HB2 LYS 32 HB2 LYS 32 7.980 19.526 6.518 256 HB3 LYS 32 HB3 LYS 32 7.882 21.189 5.954 257 HG2 LYS 32 HG2 LYS 32 9.523 20.733 8.360 258 HG3 LYS 32 HG3 LYS 32 10.136 20.050 6.853 259 HD2 LYS 32 HD2 LYS 32 9.221 22.907 7.069 260 HD3 LYS 32 HD3 LYS 32 10.877 22.416 7.435 261 HE2 LYS 32 HE2 LYS 32 9.675 21.538 4.859 262 HE3 LYS 32 HE3 LYS 32 10.166 23.224 5.020 263 HZ1 LYS 32 HZ1 LYS 32 12.150 21.385 5.970 264 HZ2 LYS 32 HZ2 LYS 32 12.305 22.673 4.885 265 HZ3 LYS 32 HZ3 LYS 32 11.790 21.160 4.333 266 H ASP 33 H ASP 33 5.792 22.640 6.553 267 HA ASP 33 HA ASP 33 7.025 24.904 7.887 268 HB2 ASP 33 HB2 ASP 33 6.732 24.928 5.439 269 HB3 ASP 33 HB3 ASP 33 4.986 24.827 5.652 270 H ASP 34 H ASP 34 3.670 23.912 7.178 271 HA ASP 34 HA ASP 34 2.318 25.741 8.702 272 HB2 ASP 34 HB2 ASP 34 1.238 24.066 7.237 273 HB3 ASP 34 HB3 ASP 34 1.609 22.813 8.418 274 H LEU 35 H LEU 35 3.329 22.508 9.826 275 HA LEU 35 HA LEU 35 2.741 23.177 12.565 276 HB2 LEU 35 HB2 LEU 35 3.772 20.781 11.123 277 HB3 LEU 35 HB3 LEU 35 4.014 20.897 12.865 278 HG LEU 35 HG LEU 35 2.018 19.564 12.142 279 HD11 LEU 35 HD11 LEU 35 1.670 21.975 13.906 280 HD12 LEU 35 HD12 LEU 35 2.089 20.330 14.383 281 HD13 LEU 35 HD13 LEU 35 0.472 20.687 13.776 282 HD21 LEU 35 HD21 LEU 35 0.926 22.274 11.393 283 HD22 LEU 35 HD22 LEU 35 0.040 20.749 11.394 284 HD23 LEU 35 HD23 LEU 35 1.364 21.000 10.255 285 H ASN 36 H ASN 36 5.399 23.543 10.478 286 HA ASN 36 HA ASN 36 7.483 24.406 10.786 287 HB2 ASN 36 HB2 ASN 36 5.997 25.610 12.734 288 HB3 ASN 36 HB3 ASN 36 7.249 24.827 13.693 289 HD21 ASN 36 HD21 ASN 36 9.295 25.605 13.654 290 HD22 ASN 36 HD22 ASN 36 9.768 27.026 12.793 291 H ALA 37 H ALA 37 6.906 21.581 11.159 292 HA ALA 37 HA ALA 37 8.116 20.331 13.277 293 HB1 ALA 37 HB1 ALA 37 8.048 18.430 12.037 294 HB2 ALA 37 HB2 ALA 37 7.011 19.438 11.027 295 HB3 ALA 37 HB3 ALA 37 8.706 19.210 10.598 296 H ASP 38 H ASP 38 10.168 19.819 13.901 297 HA ASP 38 HA ASP 38 12.271 21.534 13.144 298 HB2 ASP 38 HB2 ASP 38 11.832 19.968 15.289 299 HB3 ASP 38 HB3 ASP 38 12.964 18.943 14.411 300 H SER 39 H SER 39 14.498 20.568 12.533 301 HA SER 39 HA SER 39 14.183 19.366 9.938 302 HB2 SER 39 HB2 SER 39 16.238 20.844 11.357 303 HB3 SER 39 HB3 SER 39 16.916 19.445 10.525 304 HG SER 39 HG SER 39 16.682 21.515 9.311 305 H ILE 40 H ILE 40 15.823 18.449 12.959 306 HA ILE 40 HA ILE 40 16.868 16.014 12.213 307 HB ILE 40 HB ILE 40 15.627 16.693 14.882 308 HG12 ILE 40 HG12 ILE 40 17.367 18.284 14.217 309 HG13 ILE 40 HG13 ILE 40 17.926 17.273 15.545 310 HG21 ILE 40 HG21 ILE 40 17.630 14.560 14.152 311 HG22 ILE 40 HG22 ILE 40 17.080 14.945 15.782 312 HG23 ILE 40 HG23 ILE 40 15.946 14.292 14.600 313 HD11 ILE 40 HD11 ILE 40 19.703 16.723 14.359 314 HD12 ILE 40 HD12 ILE 40 18.663 16.002 13.129 315 HD13 ILE 40 HD13 ILE 40 19.119 17.702 13.013 316 H SER 41 H SER 41 13.590 16.710 13.377 317 HA SER 41 HA SER 41 12.581 14.156 13.583 318 HB2 SER 41 HB2 SER 41 10.860 16.258 12.333 319 HB3 SER 41 HB3 SER 41 10.477 15.117 13.621 320 HG SER 41 HG SER 41 11.707 16.360 15.036 321 H VAL 42 H VAL 42 13.110 16.085 10.696 322 HA VAL 42 HA VAL 42 11.665 14.629 8.829 323 HB VAL 42 HB VAL 42 14.350 15.946 8.395 324 HG11 VAL 42 HG11 VAL 42 14.143 14.955 6.389 325 HG12 VAL 42 HG12 VAL 42 12.421 14.638 6.609 326 HG13 VAL 42 HG13 VAL 42 12.966 16.230 6.078 327 HG21 VAL 42 HG21 VAL 42 12.798 17.801 7.498 328 HG22 VAL 42 HG22 VAL 42 11.550 17.014 8.465 329 HG23 VAL 42 HG23 VAL 42 13.002 17.644 9.243 330 H MET 43 H MET 43 14.874 14.017 10.163 331 HA MET 43 HA MET 43 15.635 11.947 8.429 332 HB2 MET 43 HB2 MET 43 16.860 13.264 10.445 333 HB3 MET 43 HB3 MET 43 16.499 11.744 11.252 334 HG2 MET 43 HG2 MET 43 18.665 11.527 10.363 335 HG3 MET 43 HG3 MET 43 17.606 10.580 9.321 336 HE1 MET 43 HE1 MET 43 18.623 10.774 6.583 337 HE2 MET 43 HE2 MET 43 20.142 11.651 6.768 338 HE3 MET 43 HE3 MET 43 19.653 10.466 7.981 339 H GLU 44 H GLU 44 13.465 12.013 11.136 340 HA GLU 44 HA GLU 44 13.393 9.126 11.393 341 HB2 GLU 44 HB2 GLU 44 11.666 11.228 12.711 342 HB3 GLU 44 HB3 GLU 44 11.734 9.526 13.145 343 HG2 GLU 44 HG2 GLU 44 14.204 11.204 13.221 344 HG3 GLU 44 HG3 GLU 44 13.044 11.251 14.548 345 H PHE 45 H PHE 45 11.112 11.701 10.472 346 HA PHE 45 HA PHE 45 8.982 10.053 9.743 347 HB2 PHE 45 HB2 PHE 45 9.740 12.738 8.571 348 HB3 PHE 45 HB3 PHE 45 8.160 11.972 8.446 349 HD1 PHE 45 HD1 PHE 45 7.578 11.022 11.077 350 HD2 PHE 45 HD2 PHE 45 9.574 14.595 9.908 351 HE1 PHE 45 HE1 PHE 45 6.894 12.090 13.185 352 HE2 PHE 45 HE2 PHE 45 8.894 15.668 12.014 353 HZ PHE 45 HZ PHE 45 7.553 14.416 13.657 354 H VAL 46 H VAL 46 11.788 11.127 7.907 355 HA VAL 46 HA VAL 46 10.916 10.132 5.392 356 HB VAL 46 HB VAL 46 12.717 11.850 5.714 357 HG11 VAL 46 HG11 VAL 46 14.588 9.556 6.185 358 HG12 VAL 46 HG12 VAL 46 14.874 11.285 6.396 359 HG13 VAL 46 HG13 VAL 46 13.839 10.415 7.530 360 HG21 VAL 46 HG21 VAL 46 13.677 9.508 4.091 361 HG22 VAL 46 HG22 VAL 46 12.305 10.504 3.606 362 HG23 VAL 46 HG23 VAL 46 13.905 11.227 3.770 363 H LEU 47 H LEU 47 12.302 8.657 8.175 364 HA LEU 47 HA LEU 47 13.315 6.340 6.786 365 HB2 LEU 47 HB2 LEU 47 14.096 7.403 9.040 366 HB3 LEU 47 HB3 LEU 47 12.806 6.419 9.729 367 HG LEU 47 HG LEU 47 14.120 4.552 8.285 368 HD11 LEU 47 HD11 LEU 47 16.367 6.165 9.420 369 HD12 LEU 47 HD12 LEU 47 15.812 6.442 7.770 370 HD13 LEU 47 HD13 LEU 47 16.413 4.852 8.243 371 HD21 LEU 47 HD21 LEU 47 15.443 4.327 10.603 372 HD22 LEU 47 HD22 LEU 47 13.742 3.897 10.417 373 HD23 LEU 47 HD23 LEU 47 14.187 5.464 11.095 374 H GLU 48 H GLU 48 10.665 6.940 9.095 375 HA GLU 48 HA GLU 48 9.532 4.423 9.113 376 HB2 GLU 48 HB2 GLU 48 7.363 5.631 9.602 377 HB3 GLU 48 HB3 GLU 48 8.715 6.030 10.652 378 HG2 GLU 48 HG2 GLU 48 9.107 8.076 9.392 379 HG3 GLU 48 HG3 GLU 48 7.772 7.674 8.313 380 H LEU 49 H LEU 49 9.006 7.061 6.815 381 HA LEU 49 HA LEU 49 6.987 5.739 5.322 382 HB2 LEU 49 HB2 LEU 49 8.866 7.910 4.408 383 HB3 LEU 49 HB3 LEU 49 7.333 7.464 3.662 384 HG LEU 49 HG LEU 49 7.390 8.432 6.492 385 HD11 LEU 49 HD11 LEU 49 7.319 10.217 4.064 386 HD12 LEU 49 HD12 LEU 49 8.685 10.057 5.167 387 HD13 LEU 49 HD13 LEU 49 7.156 10.716 5.748 388 HD21 LEU 49 HD21 LEU 49 5.363 7.429 5.298 389 HD22 LEU 49 HD22 LEU 49 5.339 8.918 4.354 390 HD23 LEU 49 HD23 LEU 49 5.148 8.981 6.107 391 H GLU 50 H GLU 50 10.494 5.886 5.084 392 HA GLU 50 HA GLU 50 10.669 4.580 2.560 393 HB2 GLU 50 HB2 GLU 50 12.590 5.770 3.040 394 HB3 GLU 50 HB3 GLU 50 12.592 5.289 4.730 395 HG2 GLU 50 HG2 GLU 50 13.713 3.361 4.330 396 HG3 GLU 50 HG3 GLU 50 13.019 3.161 2.722 397 H ASP 51 H ASP 51 10.539 3.499 5.883 398 HA ASP 51 HA ASP 51 11.226 0.770 5.227 399 HB2 ASP 51 HB2 ASP 51 11.750 1.910 7.436 400 HB3 ASP 51 HB3 ASP 51 10.035 1.773 7.813 401 H GLU 52 H GLU 52 8.315 2.380 6.519 402 HA GLU 52 HA GLU 52 6.580 0.241 6.451 403 HB2 GLU 52 HB2 GLU 52 6.090 3.179 5.993 404 HB3 GLU 52 HB3 GLU 52 4.780 2.009 6.061 405 HG2 GLU 52 HG2 GLU 52 6.735 2.666 8.250 406 HG3 GLU 52 HG3 GLU 52 5.018 3.060 8.201 407 H PHE 53 H PHE 53 6.885 2.714 3.895 408 HA PHE 53 HA PHE 53 5.359 1.185 2.027 409 HB2 PHE 53 HB2 PHE 53 7.203 3.482 1.367 410 HB3 PHE 53 HB3 PHE 53 5.782 2.946 0.475 411 HD1 PHE 53 HD1 PHE 53 3.933 2.592 2.837 412 HD2 PHE 53 HD2 PHE 53 6.612 5.721 1.764 413 HE1 PHE 53 HE1 PHE 53 2.546 4.201 4.079 414 HE2 PHE 53 HE2 PHE 53 5.230 7.335 3.006 415 HZ PHE 53 HZ PHE 53 3.195 6.575 4.166 416 H GLY 54 H GLY 54 8.730 1.440 2.830 417 HA2 GLY 54 HA2 GLY 54 10.489 0.082 2.204 418 HA3 GLY 54 HA3 GLY 54 9.358 -0.863 1.246 419 H THR 55 H THR 55 10.594 2.483 1.159 420 HA THR 55 HA THR 55 11.549 2.003 -1.567 421 HB THR 55 HB THR 55 9.308 2.979 -1.821 422 HG1 THR 55 HG1 THR 55 9.966 4.512 -3.276 423 HG21 THR 55 HG21 THR 55 8.879 5.280 -1.075 424 HG22 THR 55 HG22 THR 55 10.443 5.303 -0.259 425 HG23 THR 55 HG23 THR 55 9.178 4.202 0.288 426 H GLU 56 H GLU 56 13.164 3.476 -2.278 427 HA GLU 56 HA GLU 56 14.739 4.548 -0.089 428 HB2 GLU 56 HB2 GLU 56 15.679 3.185 -2.025 429 HB3 GLU 56 HB3 GLU 56 15.436 4.613 -3.021 430 HG2 GLU 56 HG2 GLU 56 17.657 4.763 -2.395 431 HG3 GLU 56 HG3 GLU 56 16.841 5.837 -1.261 432 H ILE 57 H ILE 57 14.847 6.623 0.466 433 HA ILE 57 HA ILE 57 13.599 8.601 -1.322 434 HB ILE 57 HB ILE 57 13.974 8.681 1.674 435 HG12 ILE 57 HG12 ILE 57 11.323 8.878 0.326 436 HG13 ILE 57 HG13 ILE 57 12.093 7.296 0.388 437 HG21 ILE 57 HG21 ILE 57 14.254 10.902 0.771 438 HG22 ILE 57 HG22 ILE 57 12.787 10.730 -0.192 439 HG23 ILE 57 HG23 ILE 57 12.685 10.787 1.568 440 HD11 ILE 57 HD11 ILE 57 12.339 7.749 2.901 441 HD12 ILE 57 HD12 ILE 57 11.139 9.015 2.639 442 HD13 ILE 57 HD13 ILE 57 10.745 7.336 2.271 443 H SER 58 H SER 58 15.008 9.799 -2.401 444 HA SER 58 HA SER 58 17.740 9.952 -1.944 445 HB2 SER 58 HB2 SER 58 16.454 12.330 -3.174 446 HB3 SER 58 HB3 SER 58 17.806 11.354 -3.749 447 HG SER 58 HG SER 58 16.135 10.884 -5.087 448 H ASP 59 H ASP 59 19.011 11.915 -1.396 449 HA ASP 59 HA ASP 59 18.132 12.942 1.154 450 HB2 ASP 59 HB2 ASP 59 20.680 13.207 -0.434 451 HB3 ASP 59 HB3 ASP 59 20.409 14.119 1.049 452 H GLU 60 H GLU 60 18.334 14.059 -2.122 453 HA GLU 60 HA GLU 60 18.133 16.853 -1.478 454 HB2 GLU 60 HB2 GLU 60 17.503 15.585 -4.139 455 HB3 GLU 60 HB3 GLU 60 18.027 17.233 -3.823 456 HG2 GLU 60 HG2 GLU 60 20.200 16.287 -3.012 457 HG3 GLU 60 HG3 GLU 60 19.656 14.718 -3.605 458 H ASP 61 H ASP 61 15.911 14.632 -3.173 459 HA ASP 61 HA ASP 61 13.677 16.299 -3.095 460 HB2 ASP 61 HB2 ASP 61 14.023 13.328 -3.349 461 HB3 ASP 61 HB3 ASP 61 12.410 14.027 -3.240 462 H ALA 62 H ALA 62 15.121 14.382 -0.624 463 HA ALA 62 HA ALA 62 13.034 13.814 1.081 464 HB1 ALA 62 HB1 ALA 62 14.822 12.979 2.113 465 HB2 ALA 62 HB2 ALA 62 15.908 14.121 1.320 466 HB3 ALA 62 HB3 ALA 62 15.060 14.589 2.794 467 H GLU 63 H GLU 63 14.352 16.893 0.250 468 HA GLU 63 HA GLU 63 13.171 18.243 2.532 469 HB2 GLU 63 HB2 GLU 63 15.356 18.803 1.019 470 HB3 GLU 63 HB3 GLU 63 14.163 19.851 0.265 471 HG2 GLU 63 HG2 GLU 63 13.682 20.870 2.430 472 HG3 GLU 63 HG3 GLU 63 14.878 19.820 3.188 473 H LYS 64 H LYS 64 12.509 17.685 -0.852 474 HA LYS 64 HA LYS 64 10.163 19.441 -0.728 475 HB2 LYS 64 HB2 LYS 64 10.095 19.305 -3.133 476 HB3 LYS 64 HB3 LYS 64 11.739 19.689 -2.639 477 HG2 LYS 64 HG2 LYS 64 12.500 17.947 -3.765 478 HG3 LYS 64 HG3 LYS 64 11.494 16.862 -2.802 479 HD2 LYS 64 HD2 LYS 64 9.607 17.741 -4.429 480 HD3 LYS 64 HD3 LYS 64 10.988 18.054 -5.483 481 HE2 LYS 64 HE2 LYS 64 11.312 15.873 -5.892 482 HE3 LYS 64 HE3 LYS 64 11.044 15.423 -4.209 483 HZ1 LYS 64 HZ1 LYS 64 8.862 15.043 -4.562 484 HZ2 LYS 64 HZ2 LYS 64 9.378 14.769 -6.149 485 HZ3 LYS 64 HZ3 LYS 64 8.703 16.262 -5.725 486 H ILE 65 H ILE 65 10.188 16.953 0.702 487 HA ILE 65 HA ILE 65 7.825 15.753 -0.506 488 HB ILE 65 HB ILE 65 8.636 13.463 -0.200 489 HG12 ILE 65 HG12 ILE 65 11.446 13.871 -0.113 490 HG13 ILE 65 HG13 ILE 65 10.742 14.792 1.212 491 HG21 ILE 65 HG21 ILE 65 8.828 14.387 -2.398 492 HG22 ILE 65 HG22 ILE 65 10.331 15.207 -1.977 493 HG23 ILE 65 HG23 ILE 65 10.284 13.447 -2.072 494 HD11 ILE 65 HD11 ILE 65 9.475 12.291 1.233 495 HD12 ILE 65 HD12 ILE 65 11.196 11.983 1.002 496 HD13 ILE 65 HD13 ILE 65 10.648 12.927 2.387 497 H GLU 66 H GLU 66 8.220 17.425 1.788 498 HA GLU 66 HA GLU 66 7.719 15.570 4.011 499 HB2 GLU 66 HB2 GLU 66 8.232 18.535 4.216 500 HB3 GLU 66 HB3 GLU 66 8.287 17.343 5.507 501 HG2 GLU 66 HG2 GLU 66 10.177 16.279 4.069 502 HG3 GLU 66 HG3 GLU 66 10.263 17.883 3.342 503 H THR 67 H THR 67 6.061 17.294 1.764 504 HA THR 67 HA THR 67 3.892 18.108 3.551 505 HB THR 67 HB THR 67 3.206 19.576 1.967 506 HG1 THR 67 HG1 THR 67 2.772 18.953 -0.029 507 HG21 THR 67 HG21 THR 67 5.819 19.145 0.571 508 HG22 THR 67 HG22 THR 67 5.794 19.713 2.241 509 HG23 THR 67 HG23 THR 67 5.003 20.655 0.977 510 H VAL 68 H VAL 68 1.662 17.551 2.960 511 HA VAL 68 HA VAL 68 1.171 14.851 2.875 512 HB VAL 68 HB VAL 68 -0.679 16.971 1.776 513 HG11 VAL 68 HG11 VAL 68 -2.426 15.357 2.633 514 HG12 VAL 68 HG12 VAL 68 -1.528 14.838 1.205 515 HG13 VAL 68 HG13 VAL 68 -1.127 14.175 2.790 516 HG21 VAL 68 HG21 VAL 68 -0.206 16.030 4.598 517 HG22 VAL 68 HG22 VAL 68 -0.007 17.661 3.959 518 HG23 VAL 68 HG23 VAL 68 -1.619 16.960 4.100 519 H GLY 69 H GLY 69 1.106 17.120 0.132 520 HA2 GLY 69 HA2 GLY 69 0.634 14.988 -1.760 521 HA3 GLY 69 HA3 GLY 69 0.891 16.685 -2.139 522 H ALA 70 H ALA 70 3.355 17.111 -0.934 523 HA ALA 70 HA ALA 70 5.125 16.222 -2.912 524 HB1 ALA 70 HB1 ALA 70 6.676 17.528 -1.898 525 HB2 ALA 70 HB2 ALA 70 5.244 18.163 -1.087 526 HB3 ALA 70 HB3 ALA 70 6.256 16.966 -0.280 527 H ALA 71 H ALA 71 3.950 14.638 -0.130 528 HA ALA 71 HA ALA 71 6.213 12.838 0.121 529 HB1 ALA 71 HB1 ALA 71 5.254 13.321 2.189 530 HB2 ALA 71 HB2 ALA 71 3.610 13.132 1.578 531 HB3 ALA 71 HB3 ALA 71 4.634 11.715 1.806 532 H VAL 72 H VAL 72 2.715 12.272 -0.318 533 HA VAL 72 HA VAL 72 2.919 9.653 -1.225 534 HB VAL 72 HB VAL 72 0.787 10.565 -0.542 535 HG11 VAL 72 HG11 VAL 72 1.297 12.853 -1.554 536 HG12 VAL 72 HG12 VAL 72 0.677 12.188 -3.067 537 HG13 VAL 72 HG13 VAL 72 -0.368 12.280 -1.649 538 HG21 VAL 72 HG21 VAL 72 0.351 10.021 -3.442 539 HG22 VAL 72 HG22 VAL 72 1.065 8.766 -2.428 540 HG23 VAL 72 HG23 VAL 72 -0.528 9.414 -2.038 541 H ASP 73 H ASP 73 3.014 12.686 -3.030 542 HA ASP 73 HA ASP 73 2.939 11.584 -5.617 543 HB2 ASP 73 HB2 ASP 73 2.605 14.003 -5.047 544 HB3 ASP 73 HB3 ASP 73 4.341 14.128 -4.776 545 H TYR 74 H TYR 74 5.452 11.767 -3.260 546 HA TYR 74 HA TYR 74 7.560 11.245 -5.193 547 HB2 TYR 74 HB2 TYR 74 8.000 12.736 -3.279 548 HB3 TYR 74 HB3 TYR 74 7.677 11.405 -2.173 549 HD1 TYR 74 HD2 TYR 74 9.890 12.292 -5.047 550 HD2 TYR 74 HD1 TYR 74 9.454 10.132 -1.408 551 HE1 TYR 74 HE2 TYR 74 12.256 11.632 -5.163 552 HE2 TYR 74 HE1 TYR 74 11.820 9.466 -1.513 553 HH TYR 74 HH TYR 74 13.841 10.301 -4.291 554 H ILE 75 H ILE 75 6.207 9.621 -2.322 555 HA ILE 75 HA ILE 75 7.617 7.229 -2.558 556 HB ILE 75 HB ILE 75 4.806 7.531 -1.499 557 HG12 ILE 75 HG12 ILE 75 6.271 9.156 -0.432 558 HG13 ILE 75 HG13 ILE 75 5.895 7.862 0.701 559 HG21 ILE 75 HG21 ILE 75 6.912 5.553 -0.667 560 HG22 ILE 75 HG22 ILE 75 5.196 5.553 -0.263 561 HG23 ILE 75 HG23 ILE 75 5.713 5.211 -1.914 562 HD11 ILE 75 HD11 ILE 75 8.437 8.081 -0.893 563 HD12 ILE 75 HD12 ILE 75 8.242 8.550 0.796 564 HD13 ILE 75 HD13 ILE 75 8.059 6.861 0.323 565 H VAL 76 H VAL 76 4.480 8.161 -3.925 566 HA VAL 76 HA VAL 76 3.938 5.652 -5.131 567 HB VAL 76 HB VAL 76 2.881 8.396 -5.824 568 HG11 VAL 76 HG11 VAL 76 2.070 5.649 -6.741 569 HG12 VAL 76 HG12 VAL 76 0.988 7.041 -6.828 570 HG13 VAL 76 HG13 VAL 76 2.507 7.047 -7.724 571 HG21 VAL 76 HG21 VAL 76 2.444 7.542 -3.506 572 HG22 VAL 76 HG22 VAL 76 0.997 7.861 -4.463 573 HG23 VAL 76 HG23 VAL 76 1.557 6.204 -4.237 574 H SER 77 H SER 77 4.872 8.747 -6.647 575 HA SER 77 HA SER 77 5.319 7.821 -9.204 576 HB2 SER 77 HB2 SER 77 5.337 10.217 -8.520 577 HB3 SER 77 HB3 SER 77 6.931 9.970 -7.806 578 HG SER 77 HG SER 77 7.703 9.433 -9.877 579 H ASN 78 H ASN 78 7.330 7.508 -6.374 580 HA ASN 78 HA ASN 78 9.646 6.620 -7.851 581 HB2 ASN 78 HB2 ASN 78 9.749 7.859 -5.650 582 HB3 ASN 78 HB3 ASN 78 9.158 6.391 -4.878 583 HD21 ASN 78 HD21 ASN 78 11.822 7.911 -6.495 584 HD22 ASN 78 HD22 ASN 78 13.009 6.722 -6.094 585 H SER 79 H SER 79 7.000 5.175 -6.049 586 HA SER 79 HA SER 79 7.964 2.518 -6.887 587 HB2 SER 79 HB2 SER 79 6.222 2.983 -4.470 588 HB3 SER 79 HB3 SER 79 7.168 1.552 -4.879 589 HG SER 79 HG SER 79 7.938 3.878 -3.630 Start of MODEL 11 1 H1 MET 1 H MET 1 2.107 0.456 0.984 2 HA MET 1 HA MET 1 2.788 -0.061 -1.239 3 HB2 MET 1 HB2 MET 1 0.049 -1.045 -0.531 4 HB3 MET 1 HB3 MET 1 0.738 -1.446 -2.099 5 HG2 MET 1 HG2 MET 1 1.283 -3.259 -0.755 6 HG3 MET 1 HG3 MET 1 2.758 -2.297 -0.797 7 HE1 MET 1 HE1 MET 1 3.477 -3.087 2.753 8 HE2 MET 1 HE2 MET 1 3.646 -3.657 1.093 9 HE3 MET 1 HE3 MET 1 4.101 -2.003 1.509 10 H THR 2 H THR 2 -0.657 0.758 -1.618 11 HA THR 2 HA THR 2 -0.091 1.963 -4.195 12 HB THR 2 HB THR 2 -2.085 0.503 -3.856 13 HG1 THR 2 HG1 THR 2 -2.058 2.054 -5.547 14 HG21 THR 2 HG21 THR 2 -3.728 0.945 -2.371 15 HG22 THR 2 HG22 THR 2 -3.631 2.687 -2.628 16 HG23 THR 2 HG23 THR 2 -2.480 1.888 -1.557 17 H ARG 3 H ARG 3 -1.434 4.041 -4.666 18 HA ARG 3 HA ARG 3 -0.292 6.149 -3.231 19 HB2 ARG 3 HB2 ARG 3 -1.921 7.589 -4.453 20 HB3 ARG 3 HB3 ARG 3 -1.030 6.487 -5.493 21 HG2 ARG 3 HG2 ARG 3 -2.992 4.954 -5.437 22 HG3 ARG 3 HG3 ARG 3 -3.874 6.204 -4.557 23 HD2 ARG 3 HD2 ARG 3 -3.453 7.756 -6.446 24 HD3 ARG 3 HD3 ARG 3 -2.703 6.426 -7.327 25 HE ARG 3 HE ARG 3 -4.789 5.606 -7.797 26 HH11 ARG 3 HH11 ARG 3 -5.032 7.959 -5.243 27 HH12 ARG 3 HH12 ARG 3 -6.764 7.985 -5.254 28 HH21 ARG 3 HH21 ARG 3 -7.069 5.631 -7.822 29 HH22 ARG 3 HH22 ARG 3 -7.922 6.660 -6.721 30 H GLU 4 H GLU 4 -3.448 4.602 -2.941 31 HA GLU 4 HA GLU 4 -4.622 6.438 -1.170 32 HB2 GLU 4 HB2 GLU 4 -5.105 3.466 -1.437 33 HB3 GLU 4 HB3 GLU 4 -6.152 4.587 -0.579 34 HG2 GLU 4 HG2 GLU 4 -5.736 5.593 -3.200 35 HG3 GLU 4 HG3 GLU 4 -6.176 3.890 -3.319 36 H GLU 5 H GLU 5 -3.257 3.235 -0.380 37 HA GLU 5 HA GLU 5 -3.304 3.441 2.364 38 HB2 GLU 5 HB2 GLU 5 -2.686 1.410 1.032 39 HB3 GLU 5 HB3 GLU 5 -1.099 2.121 0.774 40 HG2 GLU 5 HG2 GLU 5 -0.690 0.741 2.551 41 HG3 GLU 5 HG3 GLU 5 -1.041 2.260 3.372 42 H VAL 6 H VAL 6 -0.703 4.457 0.167 43 HA VAL 6 HA VAL 6 1.090 5.356 2.126 44 HB VAL 6 HB VAL 6 0.739 6.337 -0.710 45 HG11 VAL 6 HG11 VAL 6 3.409 6.592 0.171 46 HG12 VAL 6 HG12 VAL 6 2.277 7.875 -0.265 47 HG13 VAL 6 HG13 VAL 6 2.383 7.320 1.407 48 HG21 VAL 6 HG21 VAL 6 1.395 3.837 0.040 49 HG22 VAL 6 HG22 VAL 6 2.014 4.611 -1.419 50 HG23 VAL 6 HG23 VAL 6 2.991 4.588 0.049 51 H LEU 7 H LEU 7 -1.106 7.300 0.091 52 HA LEU 7 HA LEU 7 -0.691 9.758 1.269 53 HB2 LEU 7 HB2 LEU 7 -1.960 9.725 -0.692 54 HB3 LEU 7 HB3 LEU 7 -3.088 8.534 -0.048 55 HG LEU 7 HG LEU 7 -3.046 11.123 1.357 56 HD11 LEU 7 HD11 LEU 7 -4.454 12.192 -0.374 57 HD12 LEU 7 HD12 LEU 7 -4.048 10.876 -1.474 58 HD13 LEU 7 HD13 LEU 7 -2.783 11.954 -0.885 59 HD21 LEU 7 HD21 LEU 7 -5.580 10.208 0.356 60 HD22 LEU 7 HD22 LEU 7 -5.026 10.371 2.023 61 HD23 LEU 7 HD23 LEU 7 -4.709 8.883 1.129 62 H GLN 8 H GLN 8 -3.034 7.259 2.203 63 HA GLN 8 HA GLN 8 -4.267 8.667 4.282 64 HB2 GLN 8 HB2 GLN 8 -3.923 5.752 3.672 65 HB3 GLN 8 HB3 GLN 8 -4.666 6.253 5.185 66 HG2 GLN 8 HG2 GLN 8 -6.007 7.756 3.323 67 HG3 GLN 8 HG3 GLN 8 -5.747 6.227 2.485 68 HE21 GLN 8 HE21 GLN 8 -6.003 4.343 4.301 69 HE22 GLN 8 HE22 GLN 8 -7.552 4.384 5.064 70 H LYS 9 H LYS 9 -1.764 6.138 4.565 71 HA LYS 9 HA LYS 9 -1.240 6.277 7.237 72 HB2 LYS 9 HB2 LYS 9 0.198 5.403 4.877 73 HB3 LYS 9 HB3 LYS 9 1.299 6.055 6.084 74 HG2 LYS 9 HG2 LYS 9 1.003 3.639 6.311 75 HG3 LYS 9 HG3 LYS 9 0.447 4.511 7.742 76 HD2 LYS 9 HD2 LYS 9 -1.648 4.127 5.752 77 HD3 LYS 9 HD3 LYS 9 -0.978 2.608 6.351 78 HE2 LYS 9 HE2 LYS 9 -1.260 3.755 8.686 79 HE3 LYS 9 HE3 LYS 9 -2.420 4.766 7.827 80 HZ1 LYS 9 HZ1 LYS 9 -3.636 2.981 8.714 81 HZ2 LYS 9 HZ2 LYS 9 -2.501 1.832 8.212 82 HZ3 LYS 9 HZ3 LYS 9 -3.466 2.622 7.069 83 H VAL 10 H VAL 10 0.576 8.132 4.784 84 HA VAL 10 HA VAL 10 2.077 9.703 6.477 85 HB VAL 10 HB VAL 10 0.895 10.439 3.798 86 HG11 VAL 10 HG11 VAL 10 2.686 12.159 3.721 87 HG12 VAL 10 HG12 VAL 10 1.454 12.478 4.944 88 HG13 VAL 10 HG13 VAL 10 3.024 11.828 5.420 89 HG21 VAL 10 HG21 VAL 10 2.362 8.900 3.107 90 HG22 VAL 10 HG22 VAL 10 3.603 10.089 3.503 91 HG23 VAL 10 HG23 VAL 10 3.173 8.840 4.672 92 H ALA 11 H ALA 11 -1.186 10.350 5.236 93 HA ALA 11 HA ALA 11 -1.525 12.877 6.398 94 HB1 ALA 11 HB1 ALA 11 -4.050 12.033 6.326 95 HB2 ALA 11 HB2 ALA 11 -3.166 12.507 4.875 96 HB3 ALA 11 HB3 ALA 11 -3.324 10.801 5.294 97 H LYS 12 H LYS 12 -2.162 9.634 7.648 98 HA LYS 12 HA LYS 12 -3.386 10.518 10.065 99 HB2 LYS 12 HB2 LYS 12 -3.324 8.149 8.817 100 HB3 LYS 12 HB3 LYS 12 -2.024 7.878 9.970 101 HG2 LYS 12 HG2 LYS 12 -3.771 8.763 11.700 102 HG3 LYS 12 HG3 LYS 12 -4.932 8.296 10.454 103 HD2 LYS 12 HD2 LYS 12 -4.772 6.374 11.740 104 HD3 LYS 12 HD3 LYS 12 -3.631 6.054 10.432 105 HE2 LYS 12 HE2 LYS 12 -2.301 7.448 12.550 106 HE3 LYS 12 HE3 LYS 12 -3.141 6.044 13.206 107 HZ1 LYS 12 HZ1 LYS 12 -1.699 5.531 10.761 108 HZ2 LYS 12 HZ2 LYS 12 -1.743 4.642 12.198 109 HZ3 LYS 12 HZ3 LYS 12 -0.712 5.976 12.061 110 H ILE 13 H ILE 13 -0.221 8.962 9.506 111 HA ILE 13 HA ILE 13 0.870 9.263 12.001 112 HB ILE 13 HB ILE 13 2.346 9.587 9.385 113 HG12 ILE 13 HG12 ILE 13 2.554 7.032 10.784 114 HG13 ILE 13 HG13 ILE 13 0.906 7.399 10.289 115 HG21 ILE 13 HG21 ILE 13 3.824 10.312 11.039 116 HG22 ILE 13 HG22 ILE 13 3.259 9.112 12.200 117 HG23 ILE 13 HG23 ILE 13 4.235 8.612 10.820 118 HD11 ILE 13 HD11 ILE 13 3.277 6.760 8.667 119 HD12 ILE 13 HD12 ILE 13 1.574 6.386 8.397 120 HD13 ILE 13 HD13 ILE 13 2.195 7.993 8.020 121 H ILE 14 H ILE 14 0.652 11.670 9.435 122 HA ILE 14 HA ILE 14 2.200 13.630 10.857 123 HB ILE 14 HB ILE 14 0.458 13.835 8.403 124 HG12 ILE 14 HG12 ILE 14 3.460 13.979 8.751 125 HG13 ILE 14 HG13 ILE 14 2.578 12.564 8.189 126 HG21 ILE 14 HG21 ILE 14 0.370 16.028 8.792 127 HG22 ILE 14 HG22 ILE 14 1.541 15.922 10.105 128 HG23 ILE 14 HG23 ILE 14 2.097 16.055 8.437 129 HD11 ILE 14 HD11 ILE 14 3.427 13.590 6.264 130 HD12 ILE 14 HD12 ILE 14 1.721 14.035 6.311 131 HD13 ILE 14 HD13 ILE 14 2.951 15.198 6.809 132 H SER 15 H SER 15 -1.223 12.955 10.357 133 HA SER 15 HA SER 15 -2.193 15.336 11.556 134 HB2 SER 15 HB2 SER 15 -3.679 14.133 10.125 135 HB3 SER 15 HB3 SER 15 -3.470 12.645 11.048 136 HG SER 15 HG SER 15 -4.787 13.381 12.572 137 H ASN 16 H ASN 16 -0.984 12.365 12.820 138 HA ASN 16 HA ASN 16 -2.133 12.835 15.459 139 HB2 ASN 16 HB2 ASN 16 -2.080 10.601 15.540 140 HB3 ASN 16 HB3 ASN 16 -1.187 10.536 14.024 141 HD21 ASN 16 HD21 ASN 16 1.027 10.307 14.055 142 HD22 ASN 16 HD22 ASN 16 1.901 9.885 15.484 143 H HIS 17 H HIS 17 1.030 12.688 13.873 144 HA HIS 17 HA HIS 17 2.548 13.222 16.207 145 HB2 HIS 17 HB2 HIS 17 3.470 12.200 14.128 146 HB3 HIS 17 HB3 HIS 17 3.308 13.761 13.329 147 HD1 HIS 17 HD1 HIS 17 5.805 11.796 14.785 148 HD2 HIS 17 HD2 HIS 17 4.798 15.814 15.106 149 HE1 HIS 17 HE1 HIS 17 7.878 12.944 15.628 150 H PHE 18 H PHE 18 1.403 15.295 13.558 151 HA PHE 18 HA PHE 18 2.290 17.662 15.026 152 HB2 PHE 18 HB2 PHE 18 1.116 17.414 12.248 153 HB3 PHE 18 HB3 PHE 18 1.745 18.893 12.965 154 HD1 PHE 18 HD2 PHE 18 2.658 15.545 11.724 155 HD2 PHE 18 HD1 PHE 18 4.064 19.355 12.998 156 HE1 PHE 18 HE2 PHE 18 4.900 14.999 10.871 157 HE2 PHE 18 HE1 PHE 18 6.309 18.815 12.147 158 HZ PHE 18 HZ PHE 18 6.729 16.634 11.083 159 H ASP 19 H ASP 19 0.584 19.589 14.442 160 HA ASP 19 HA ASP 19 -1.893 18.728 15.756 161 HB2 ASP 19 HB2 ASP 19 -1.109 21.599 15.369 162 HB3 ASP 19 HB3 ASP 19 -2.103 20.880 16.633 163 H ILE 20 H ILE 20 -1.145 18.614 12.802 164 HA ILE 20 HA ILE 20 -2.986 20.460 11.559 165 HB ILE 20 HB ILE 20 -0.828 19.604 10.506 166 HG12 ILE 20 HG12 ILE 20 -3.329 19.255 8.845 167 HG13 ILE 20 HG13 ILE 20 -2.684 20.822 9.318 168 HG21 ILE 20 HG21 ILE 20 -2.554 17.211 9.889 169 HG22 ILE 20 HG22 ILE 20 -0.907 17.498 9.331 170 HG23 ILE 20 HG23 ILE 20 -1.222 17.225 11.044 171 HD11 ILE 20 HD11 ILE 20 -0.660 19.173 8.088 172 HD12 ILE 20 HD12 ILE 20 -2.062 19.388 7.039 173 HD13 ILE 20 HD13 ILE 20 -1.208 20.796 7.669 174 H GLU 21 H GLU 21 -4.728 19.710 10.131 175 HA GLU 21 HA GLU 21 -6.295 17.653 11.462 176 HB2 GLU 21 HB2 GLU 21 -6.854 19.966 9.733 177 HB3 GLU 21 HB3 GLU 21 -7.867 18.564 9.420 178 HG2 GLU 21 HG2 GLU 21 -8.088 18.618 12.064 179 HG3 GLU 21 HG3 GLU 21 -7.740 20.325 11.794 180 H ALA 22 H ALA 22 -6.492 15.642 10.741 181 HA ALA 22 HA ALA 22 -5.058 14.614 8.588 182 HB1 ALA 22 HB1 ALA 22 -5.618 12.745 9.641 183 HB2 ALA 22 HB2 ALA 22 -6.836 13.609 10.580 184 HB3 ALA 22 HB3 ALA 22 -7.261 12.906 9.019 185 H ASP 23 H ASP 23 -8.061 16.263 8.635 186 HA ASP 23 HA ASP 23 -8.830 15.263 5.998 187 HB2 ASP 23 HB2 ASP 23 -10.421 15.701 8.052 188 HB3 ASP 23 HB3 ASP 23 -10.379 17.361 7.465 189 H GLN 24 H GLN 24 -7.518 18.076 7.569 190 HA GLN 24 HA GLN 24 -7.917 19.821 5.313 191 HB2 GLN 24 HB2 GLN 24 -6.274 20.138 7.828 192 HB3 GLN 24 HB3 GLN 24 -6.488 21.396 6.618 193 HG2 GLN 24 HG2 GLN 24 -8.695 20.123 8.220 194 HG3 GLN 24 HG3 GLN 24 -7.963 21.693 8.546 195 HE21 GLN 24 HE21 GLN 24 -10.122 19.898 6.536 196 HE22 GLN 24 HE22 GLN 24 -10.773 21.243 5.670 197 H VAL 25 H VAL 25 -5.379 17.760 6.547 198 HA VAL 25 HA VAL 25 -3.127 18.688 5.308 199 HB VAL 25 HB VAL 25 -2.500 16.215 5.016 200 HG11 VAL 25 HG11 VAL 25 -3.272 17.421 7.662 201 HG12 VAL 25 HG12 VAL 25 -2.384 15.902 7.523 202 HG13 VAL 25 HG13 VAL 25 -1.684 17.395 6.897 203 HG21 VAL 25 HG21 VAL 25 -5.180 15.804 5.183 204 HG22 VAL 25 HG22 VAL 25 -3.957 14.573 5.503 205 HG23 VAL 25 HG23 VAL 25 -4.676 15.470 6.840 206 H THR 26 H THR 26 -3.073 19.483 3.295 207 HA THR 26 HA THR 26 -3.946 17.715 1.108 208 HB THR 26 HB THR 26 -5.570 19.523 1.291 209 HG1 THR 26 HG1 THR 26 -5.421 19.158 -0.811 210 HG21 THR 26 HG21 THR 26 -3.110 21.216 1.333 211 HG22 THR 26 HG22 THR 26 -4.574 21.335 2.311 212 HG23 THR 26 HG23 THR 26 -4.590 21.867 0.629 213 H ASP 27 H ASP 27 -2.895 18.240 -0.989 214 HA ASP 27 HA ASP 27 -0.093 18.288 -0.716 215 HB2 ASP 27 HB2 ASP 27 -0.010 18.225 -3.124 216 HB3 ASP 27 HB3 ASP 27 -1.342 17.202 -2.590 217 H GLN 28 H GLN 28 -2.377 20.802 -0.835 218 HA GLN 28 HA GLN 28 -0.423 22.775 -1.747 219 HB2 GLN 28 HB2 GLN 28 -3.388 22.772 -1.369 220 HB3 GLN 28 HB3 GLN 28 -2.527 24.305 -1.332 221 HG2 GLN 28 HG2 GLN 28 -1.648 23.893 -3.554 222 HG3 GLN 28 HG3 GLN 28 -2.442 22.320 -3.593 223 HE21 GLN 28 HE21 GLN 28 -4.470 22.199 -4.308 224 HE22 GLN 28 HE22 GLN 28 -5.478 23.552 -4.678 225 H LEU 29 H LEU 29 -0.683 21.288 0.982 226 HA LEU 29 HA LEU 29 -0.160 23.688 2.587 227 HB2 LEU 29 HB2 LEU 29 -2.087 21.485 3.151 228 HB3 LEU 29 HB3 LEU 29 -1.238 22.242 4.498 229 HG LEU 29 HG LEU 29 -3.013 23.673 2.520 230 HD11 LEU 29 HD11 LEU 29 -3.814 22.024 4.542 231 HD12 LEU 29 HD12 LEU 29 -4.751 23.369 3.892 232 HD13 LEU 29 HD13 LEU 29 -3.772 23.596 5.341 233 HD21 LEU 29 HD21 LEU 29 -2.818 25.450 4.386 234 HD22 LEU 29 HD22 LEU 29 -1.496 25.278 3.232 235 HD23 LEU 29 HD23 LEU 29 -1.356 24.577 4.845 236 H ASN 30 H ASN 30 2.056 23.010 2.042 237 HA ASN 30 HA ASN 30 3.228 20.603 2.745 238 HB2 ASN 30 HB2 ASN 30 4.516 22.131 1.467 239 HB3 ASN 30 HB3 ASN 30 4.335 23.407 2.668 240 HD21 ASN 30 HD21 ASN 30 6.600 23.645 2.687 241 HD22 ASN 30 HD22 ASN 30 7.607 22.532 3.543 242 H ILE 31 H ILE 31 3.438 19.597 4.623 243 HA ILE 31 HA ILE 31 2.725 20.791 7.093 244 HB ILE 31 HB ILE 31 4.173 18.192 6.569 245 HG12 ILE 31 HG12 ILE 31 1.571 17.689 7.433 246 HG13 ILE 31 HG13 ILE 31 1.400 19.030 6.307 247 HG21 ILE 31 HG21 ILE 31 4.589 18.375 8.782 248 HG22 ILE 31 HG22 ILE 31 3.284 19.531 9.042 249 HG23 ILE 31 HG23 ILE 31 2.924 17.810 8.914 250 HD11 ILE 31 HD11 ILE 31 1.903 17.763 4.526 251 HD12 ILE 31 HD12 ILE 31 3.116 16.826 5.398 252 HD13 ILE 31 HD13 ILE 31 1.405 16.444 5.584 253 H LYS 32 H LYS 32 5.833 19.936 5.628 254 HA LYS 32 HA LYS 32 7.563 20.374 7.707 255 HB2 LYS 32 HB2 LYS 32 8.367 19.589 5.578 256 HB3 LYS 32 HB3 LYS 32 7.888 21.088 4.790 257 HG2 LYS 32 HG2 LYS 32 9.559 22.303 6.111 258 HG3 LYS 32 HG3 LYS 32 10.053 20.784 6.863 259 HD2 LYS 32 HD2 LYS 32 11.407 20.351 5.154 260 HD3 LYS 32 HD3 LYS 32 10.053 20.459 4.026 261 HE2 LYS 32 HE2 LYS 32 11.669 22.794 5.046 262 HE3 LYS 32 HE3 LYS 32 11.875 22.024 3.474 263 HZ1 LYS 32 HZ1 LYS 32 9.663 22.681 2.861 264 HZ2 LYS 32 HZ2 LYS 32 10.514 24.048 3.379 265 HZ3 LYS 32 HZ3 LYS 32 9.372 23.327 4.398 266 H ASP 33 H ASP 33 6.160 22.808 5.543 267 HA ASP 33 HA ASP 33 7.418 24.964 7.024 268 HB2 ASP 33 HB2 ASP 33 7.030 24.898 4.475 269 HB3 ASP 33 HB3 ASP 33 5.359 25.304 4.855 270 H ASP 34 H ASP 34 4.069 24.072 6.178 271 HA ASP 34 HA ASP 34 2.681 25.885 7.672 272 HB2 ASP 34 HB2 ASP 34 1.663 24.173 6.182 273 HB3 ASP 34 HB3 ASP 34 1.964 22.957 7.420 274 H LEU 35 H LEU 35 3.659 22.657 8.839 275 HA LEU 35 HA LEU 35 3.023 23.364 11.562 276 HB2 LEU 35 HB2 LEU 35 4.103 20.922 10.209 277 HB3 LEU 35 HB3 LEU 35 4.146 21.066 11.965 278 HG LEU 35 HG LEU 35 2.231 19.757 11.252 279 HD11 LEU 35 HD11 LEU 35 0.603 20.808 12.568 280 HD12 LEU 35 HD12 LEU 35 1.179 22.421 12.150 281 HD13 LEU 35 HD13 LEU 35 2.140 21.388 13.209 282 HD21 LEU 35 HD21 LEU 35 0.805 20.320 9.603 283 HD22 LEU 35 HD22 LEU 35 2.138 21.343 9.067 284 HD23 LEU 35 HD23 LEU 35 0.826 22.033 10.024 285 H ASN 36 H ASN 36 5.737 23.600 9.515 286 HA ASN 36 HA ASN 36 7.844 24.394 9.845 287 HB2 ASN 36 HB2 ASN 36 6.375 25.760 11.660 288 HB3 ASN 36 HB3 ASN 36 7.489 24.921 12.737 289 HD21 ASN 36 HD21 ASN 36 7.259 27.759 12.127 290 HD22 ASN 36 HD22 ASN 36 8.805 28.248 11.531 291 H ALA 37 H ALA 37 7.218 21.615 10.242 292 HA ALA 37 HA ALA 37 8.264 20.358 12.432 293 HB1 ALA 37 HB1 ALA 37 8.896 19.354 9.679 294 HB2 ALA 37 HB2 ALA 37 8.490 18.438 11.131 295 HB3 ALA 37 HB3 ALA 37 7.243 19.362 10.294 296 H ASP 38 H ASP 38 10.218 20.064 13.323 297 HA ASP 38 HA ASP 38 12.395 21.674 12.667 298 HB2 ASP 38 HB2 ASP 38 11.784 19.654 14.618 299 HB3 ASP 38 HB3 ASP 38 13.415 19.402 14.003 300 H SER 39 H SER 39 14.685 20.506 12.406 301 HA SER 39 HA SER 39 14.598 19.345 9.759 302 HB2 SER 39 HB2 SER 39 16.338 21.059 10.950 303 HB3 SER 39 HB3 SER 39 17.201 19.533 11.146 304 HG SER 39 HG SER 39 16.109 20.329 8.664 305 H ILE 40 H ILE 40 15.941 18.408 12.921 306 HA ILE 40 HA ILE 40 16.934 15.920 12.281 307 HB ILE 40 HB ILE 40 15.541 16.692 14.847 308 HG12 ILE 40 HG12 ILE 40 17.380 18.204 14.299 309 HG13 ILE 40 HG13 ILE 40 17.819 17.177 15.660 310 HG21 ILE 40 HG21 ILE 40 16.578 14.198 13.978 311 HG22 ILE 40 HG22 ILE 40 17.640 14.824 15.238 312 HG23 ILE 40 HG23 ILE 40 15.917 14.624 15.557 313 HD11 ILE 40 HD11 ILE 40 18.685 16.798 12.803 314 HD12 ILE 40 HD12 ILE 40 19.673 17.425 14.123 315 HD13 ILE 40 HD13 ILE 40 19.114 15.752 14.157 316 H SER 41 H SER 41 13.622 16.749 13.262 317 HA SER 41 HA SER 41 12.504 14.238 13.397 318 HB2 SER 41 HB2 SER 41 10.920 16.386 12.058 319 HB3 SER 41 HB3 SER 41 10.449 15.283 13.352 320 HG SER 41 HG SER 41 10.880 17.629 13.849 321 H VAL 42 H VAL 42 13.308 16.130 10.556 322 HA VAL 42 HA VAL 42 11.896 14.759 8.599 323 HB VAL 42 HB VAL 42 14.681 15.891 8.301 324 HG11 VAL 42 HG11 VAL 42 14.453 14.968 6.266 325 HG12 VAL 42 HG12 VAL 42 12.705 14.785 6.434 326 HG13 VAL 42 HG13 VAL 42 13.388 16.339 5.956 327 HG21 VAL 42 HG21 VAL 42 12.269 17.205 8.982 328 HG22 VAL 42 HG22 VAL 42 13.831 17.923 8.588 329 HG23 VAL 42 HG23 VAL 42 12.651 17.626 7.312 330 H MET 43 H MET 43 15.019 13.998 10.073 331 HA MET 43 HA MET 43 15.729 11.868 8.391 332 HB2 MET 43 HB2 MET 43 16.855 13.139 10.575 333 HB3 MET 43 HB3 MET 43 16.550 11.512 11.171 334 HG2 MET 43 HG2 MET 43 18.219 10.652 9.985 335 HG3 MET 43 HG3 MET 43 17.741 11.518 8.527 336 HE1 MET 43 HE1 MET 43 20.912 11.089 10.505 337 HE2 MET 43 HE2 MET 43 20.973 12.532 11.518 338 HE3 MET 43 HE3 MET 43 19.659 11.371 11.714 339 H GLU 44 H GLU 44 13.457 12.086 10.997 340 HA GLU 44 HA GLU 44 13.241 9.211 11.310 341 HB2 GLU 44 HB2 GLU 44 11.484 11.366 12.492 342 HB3 GLU 44 HB3 GLU 44 11.598 9.691 13.013 343 HG2 GLU 44 HG2 GLU 44 13.787 10.012 13.864 344 HG3 GLU 44 HG3 GLU 44 13.915 11.600 13.110 345 H PHE 45 H PHE 45 11.170 11.872 10.175 346 HA PHE 45 HA PHE 45 8.986 10.301 9.399 347 HB2 PHE 45 HB2 PHE 45 9.928 12.935 8.244 348 HB3 PHE 45 HB3 PHE 45 8.331 12.231 8.007 349 HD1 PHE 45 HD1 PHE 45 7.489 11.343 10.574 350 HD2 PHE 45 HD2 PHE 45 9.768 14.795 9.572 351 HE1 PHE 45 HE1 PHE 45 6.695 12.456 12.620 352 HE2 PHE 45 HE2 PHE 45 8.978 15.914 11.615 353 HZ PHE 45 HZ PHE 45 7.440 14.745 13.143 354 H VAL 46 H VAL 46 11.845 11.350 7.595 355 HA VAL 46 HA VAL 46 11.063 10.279 5.099 356 HB VAL 46 HB VAL 46 12.891 11.968 5.459 357 HG11 VAL 46 HG11 VAL 46 14.657 9.610 6.047 358 HG12 VAL 46 HG12 VAL 46 15.038 11.329 6.166 359 HG13 VAL 46 HG13 VAL 46 13.939 10.586 7.328 360 HG21 VAL 46 HG21 VAL 46 14.337 11.058 3.662 361 HG22 VAL 46 HG22 VAL 46 13.519 9.505 3.835 362 HG23 VAL 46 HG23 VAL 46 12.615 10.923 3.306 363 H LEU 47 H LEU 47 12.309 8.834 7.959 364 HA LEU 47 HA LEU 47 13.337 6.472 6.661 365 HB2 LEU 47 HB2 LEU 47 14.128 7.496 8.869 366 HB3 LEU 47 HB3 LEU 47 12.701 6.747 9.582 367 HG LEU 47 HG LEU 47 13.564 4.537 8.791 368 HD11 LEU 47 HD11 LEU 47 15.324 6.122 7.321 369 HD12 LEU 47 HD12 LEU 47 15.350 4.367 7.485 370 HD13 LEU 47 HD13 LEU 47 16.313 5.368 8.571 371 HD21 LEU 47 HD21 LEU 47 13.975 5.708 11.090 372 HD22 LEU 47 HD22 LEU 47 15.646 5.784 10.529 373 HD23 LEU 47 HD23 LEU 47 14.836 4.224 10.683 374 H GLU 48 H GLU 48 10.637 7.097 8.911 375 HA GLU 48 HA GLU 48 9.451 4.617 8.872 376 HB2 GLU 48 HB2 GLU 48 7.288 5.860 9.293 377 HB3 GLU 48 HB3 GLU 48 8.614 6.241 10.384 378 HG2 GLU 48 HG2 GLU 48 9.093 8.248 8.994 379 HG3 GLU 48 HG3 GLU 48 7.636 7.892 8.069 380 H LEU 49 H LEU 49 8.851 7.318 6.640 381 HA LEU 49 HA LEU 49 6.906 6.065 5.070 382 HB2 LEU 49 HB2 LEU 49 8.949 8.083 4.156 383 HB3 LEU 49 HB3 LEU 49 7.402 7.729 3.389 384 HG LEU 49 HG LEU 49 7.458 8.739 6.201 385 HD11 LEU 49 HD11 LEU 49 7.727 10.947 5.608 386 HD12 LEU 49 HD12 LEU 49 7.338 10.653 3.914 387 HD13 LEU 49 HD13 LEU 49 8.901 10.153 4.559 388 HD21 LEU 49 HD21 LEU 49 5.393 7.888 4.980 389 HD22 LEU 49 HD22 LEU 49 5.525 9.335 3.980 390 HD23 LEU 49 HD23 LEU 49 5.284 9.485 5.721 391 H GLU 50 H GLU 50 10.433 6.098 4.789 392 HA GLU 50 HA GLU 50 10.535 4.653 2.347 393 HB2 GLU 50 HB2 GLU 50 12.516 5.750 2.709 394 HB3 GLU 50 HB3 GLU 50 12.488 5.455 4.442 395 HG2 GLU 50 HG2 GLU 50 13.461 3.392 4.251 396 HG3 GLU 50 HG3 GLU 50 12.884 3.152 2.603 397 H ASP 51 H ASP 51 10.329 3.731 5.702 398 HA ASP 51 HA ASP 51 11.007 0.972 5.240 399 HB2 ASP 51 HB2 ASP 51 11.422 2.121 7.412 400 HB3 ASP 51 HB3 ASP 51 9.680 2.222 7.653 401 H GLU 52 H GLU 52 8.012 2.514 6.424 402 HA GLU 52 HA GLU 52 6.321 0.363 6.185 403 HB2 GLU 52 HB2 GLU 52 6.049 3.180 6.546 404 HB3 GLU 52 HB3 GLU 52 4.862 2.662 5.357 405 HG2 GLU 52 HG2 GLU 52 5.016 0.912 7.683 406 HG3 GLU 52 HG3 GLU 52 4.554 2.568 8.070 407 H PHE 53 H PHE 53 6.680 2.937 3.738 408 HA PHE 53 HA PHE 53 5.226 1.524 1.753 409 HB2 PHE 53 HB2 PHE 53 7.224 3.738 1.274 410 HB3 PHE 53 HB3 PHE 53 5.860 3.286 0.258 411 HD1 PHE 53 HD1 PHE 53 3.875 2.932 2.567 412 HD2 PHE 53 HD2 PHE 53 6.634 6.017 1.571 413 HE1 PHE 53 HE1 PHE 53 2.462 4.570 3.738 414 HE2 PHE 53 HE2 PHE 53 5.225 7.660 2.741 415 HZ PHE 53 HZ PHE 53 3.135 6.938 3.826 416 H GLY 54 H GLY 54 8.562 1.558 2.724 417 HA2 GLY 54 HA2 GLY 54 10.296 0.167 2.124 418 HA3 GLY 54 HA3 GLY 54 9.147 -0.758 1.169 419 H THR 55 H THR 55 10.501 2.540 1.029 420 HA THR 55 HA THR 55 11.483 1.966 -1.669 421 HB THR 55 HB THR 55 9.302 3.000 -2.027 422 HG1 THR 55 HG1 THR 55 10.916 3.586 -3.498 423 HG21 THR 55 HG21 THR 55 9.737 4.372 0.272 424 HG22 THR 55 HG22 THR 55 8.520 4.810 -0.926 425 HG23 THR 55 HG23 THR 55 10.088 5.616 -0.927 426 H GLU 56 H GLU 56 13.177 3.335 -2.372 427 HA GLU 56 HA GLU 56 14.711 4.459 -0.174 428 HB2 GLU 56 HB2 GLU 56 15.646 2.930 -2.014 429 HB3 GLU 56 HB3 GLU 56 15.568 4.343 -3.058 430 HG2 GLU 56 HG2 GLU 56 17.373 5.280 -2.134 431 HG3 GLU 56 HG3 GLU 56 16.898 4.822 -0.499 432 H ILE 57 H ILE 57 14.836 6.555 0.272 433 HA ILE 57 HA ILE 57 13.828 8.466 -1.731 434 HB ILE 57 HB ILE 57 13.935 8.760 1.274 435 HG12 ILE 57 HG12 ILE 57 11.357 8.887 -0.146 436 HG13 ILE 57 HG13 ILE 57 12.136 7.309 -0.182 437 HG21 ILE 57 HG21 ILE 57 14.276 10.888 0.144 438 HG22 ILE 57 HG22 ILE 57 12.833 10.616 -0.831 439 HG23 ILE 57 HG23 ILE 57 12.689 10.838 0.913 440 HD11 ILE 57 HD11 ILE 57 10.823 8.706 2.012 441 HD12 ILE 57 HD12 ILE 57 11.113 6.984 1.768 442 HD13 ILE 57 HD13 ILE 57 12.383 8.005 2.442 443 H SER 58 H SER 58 15.251 9.802 -2.614 444 HA SER 58 HA SER 58 17.973 9.797 -2.083 445 HB2 SER 58 HB2 SER 58 16.131 11.423 -3.690 446 HB3 SER 58 HB3 SER 58 17.576 12.291 -3.171 447 HG SER 58 HG SER 58 17.881 11.188 -5.162 448 H ASP 59 H ASP 59 19.252 11.821 -1.472 449 HA ASP 59 HA ASP 59 18.474 12.558 1.205 450 HB2 ASP 59 HB2 ASP 59 20.898 13.296 -0.448 451 HB3 ASP 59 HB3 ASP 59 20.673 13.727 1.245 452 H GLU 60 H GLU 60 19.170 14.315 -1.812 453 HA GLU 60 HA GLU 60 18.455 16.858 -0.779 454 HB2 GLU 60 HB2 GLU 60 18.423 17.553 -3.173 455 HB3 GLU 60 HB3 GLU 60 19.902 16.734 -2.693 456 HG2 GLU 60 HG2 GLU 60 18.504 14.632 -3.586 457 HG3 GLU 60 HG3 GLU 60 17.801 15.903 -4.585 458 H ASP 61 H ASP 61 16.727 14.521 -2.823 459 HA ASP 61 HA ASP 61 14.380 16.001 -3.171 460 HB2 ASP 61 HB2 ASP 61 14.716 12.996 -3.054 461 HB3 ASP 61 HB3 ASP 61 13.313 13.840 -3.703 462 H ALA 62 H ALA 62 15.386 13.831 -0.585 463 HA ALA 62 HA ALA 62 12.956 13.582 0.765 464 HB1 ALA 62 HB1 ALA 62 15.804 13.246 1.457 465 HB2 ALA 62 HB2 ALA 62 14.697 13.486 2.810 466 HB3 ALA 62 HB3 ALA 62 14.439 12.151 1.686 467 H GLU 63 H GLU 63 14.960 16.312 0.361 468 HA GLU 63 HA GLU 63 14.037 17.671 2.751 469 HB2 GLU 63 HB2 GLU 63 16.338 17.891 1.427 470 HB3 GLU 63 HB3 GLU 63 15.437 19.128 0.563 471 HG2 GLU 63 HG2 GLU 63 16.403 20.370 2.217 472 HG3 GLU 63 HG3 GLU 63 14.856 19.973 2.962 473 H LYS 64 H LYS 64 13.058 17.288 -0.503 474 HA LYS 64 HA LYS 64 11.345 19.669 -0.387 475 HB2 LYS 64 HB2 LYS 64 11.680 17.872 -2.777 476 HB3 LYS 64 HB3 LYS 64 11.145 19.547 -2.734 477 HG2 LYS 64 HG2 LYS 64 13.493 20.086 -1.882 478 HG3 LYS 64 HG3 LYS 64 13.919 18.458 -2.414 479 HD2 LYS 64 HD2 LYS 64 12.445 19.773 -4.482 480 HD3 LYS 64 HD3 LYS 64 13.770 20.816 -3.960 481 HE2 LYS 64 HE2 LYS 64 15.376 19.358 -4.666 482 HE3 LYS 64 HE3 LYS 64 14.366 17.940 -4.386 483 HZ1 LYS 64 HZ1 LYS 64 13.592 19.798 -6.515 484 HZ2 LYS 64 HZ2 LYS 64 13.383 18.122 -6.418 485 HZ3 LYS 64 HZ3 LYS 64 14.901 18.764 -6.797 486 H ILE 65 H ILE 65 11.219 16.175 -0.989 487 HA ILE 65 HA ILE 65 8.372 16.087 -1.188 488 HB ILE 65 HB ILE 65 8.667 13.618 -0.960 489 HG12 ILE 65 HG12 ILE 65 11.559 13.695 -1.303 490 HG13 ILE 65 HG13 ILE 65 11.061 14.324 0.264 491 HG21 ILE 65 HG21 ILE 65 9.640 13.321 -3.113 492 HG22 ILE 65 HG22 ILE 65 8.796 14.868 -3.127 493 HG23 ILE 65 HG23 ILE 65 10.552 14.823 -2.974 494 HD11 ILE 65 HD11 ILE 65 10.987 11.588 -0.787 495 HD12 ILE 65 HD12 ILE 65 11.164 12.171 0.868 496 HD13 ILE 65 HD13 ILE 65 9.565 12.083 0.130 497 H GLU 66 H GLU 66 8.257 17.459 0.890 498 HA GLU 66 HA GLU 66 8.024 15.639 3.197 499 HB2 GLU 66 HB2 GLU 66 8.495 18.618 3.335 500 HB3 GLU 66 HB3 GLU 66 8.523 17.473 4.669 501 HG2 GLU 66 HG2 GLU 66 10.398 16.625 2.704 502 HG3 GLU 66 HG3 GLU 66 10.664 18.334 3.047 503 H THR 67 H THR 67 6.372 17.541 0.994 504 HA THR 67 HA THR 67 4.192 18.277 2.763 505 HB THR 67 HB THR 67 3.352 19.573 1.062 506 HG1 THR 67 HG1 THR 67 3.731 19.049 -1.182 507 HG21 THR 67 HG21 THR 67 5.844 20.046 1.543 508 HG22 THR 67 HG22 THR 67 5.109 20.794 0.125 509 HG23 THR 67 HG23 THR 67 6.129 19.367 -0.059 510 H VAL 68 H VAL 68 1.963 17.654 2.275 511 HA VAL 68 HA VAL 68 1.513 14.947 2.319 512 HB VAL 68 HB VAL 68 -0.404 16.990 1.187 513 HG11 VAL 68 HG11 VAL 68 -0.640 14.239 1.327 514 HG12 VAL 68 HG12 VAL 68 -1.508 14.810 2.753 515 HG13 VAL 68 HG13 VAL 68 -1.961 15.394 1.151 516 HG21 VAL 68 HG21 VAL 68 0.316 17.787 3.313 517 HG22 VAL 68 HG22 VAL 68 -1.274 17.058 3.541 518 HG23 VAL 68 HG23 VAL 68 0.176 16.182 4.031 519 H GLY 69 H GLY 69 1.398 17.095 -0.513 520 HA2 GLY 69 HA2 GLY 69 0.846 14.902 -2.308 521 HA3 GLY 69 HA3 GLY 69 1.139 16.575 -2.760 522 H ALA 70 H ALA 70 3.633 16.988 -1.618 523 HA ALA 70 HA ALA 70 5.343 15.966 -3.586 524 HB1 ALA 70 HB1 ALA 70 7.108 17.047 -2.440 525 HB2 ALA 70 HB2 ALA 70 5.675 18.046 -2.197 526 HB3 ALA 70 HB3 ALA 70 6.242 16.989 -0.904 527 H ALA 71 H ALA 71 4.184 14.545 -0.713 528 HA ALA 71 HA ALA 71 6.411 12.706 -0.415 529 HB1 ALA 71 HB1 ALA 71 3.951 13.329 1.118 530 HB2 ALA 71 HB2 ALA 71 4.624 11.706 1.278 531 HB3 ALA 71 HB3 ALA 71 5.611 13.114 1.673 532 H VAL 72 H VAL 72 2.893 12.203 -0.760 533 HA VAL 72 HA VAL 72 3.015 9.540 -1.539 534 HB VAL 72 HB VAL 72 0.918 10.536 -0.873 535 HG11 VAL 72 HG11 VAL 72 1.472 12.761 -1.997 536 HG12 VAL 72 HG12 VAL 72 0.808 12.044 -3.467 537 HG13 VAL 72 HG13 VAL 72 -0.209 12.229 -2.037 538 HG21 VAL 72 HG21 VAL 72 -0.510 9.483 -2.416 539 HG22 VAL 72 HG22 VAL 72 0.585 9.787 -3.765 540 HG23 VAL 72 HG23 VAL 72 1.014 8.603 -2.530 541 H ASP 73 H ASP 73 3.103 12.473 -3.513 542 HA ASP 73 HA ASP 73 2.963 11.260 -6.033 543 HB2 ASP 73 HB2 ASP 73 2.732 13.704 -5.603 544 HB3 ASP 73 HB3 ASP 73 4.467 13.783 -5.310 545 H TYR 74 H TYR 74 5.537 11.450 -3.740 546 HA TYR 74 HA TYR 74 7.571 10.731 -5.691 547 HB2 TYR 74 HB2 TYR 74 8.094 12.317 -3.856 548 HB3 TYR 74 HB3 TYR 74 7.800 11.032 -2.689 549 HD1 TYR 74 HD2 TYR 74 9.856 11.658 -5.750 550 HD2 TYR 74 HD1 TYR 74 9.631 9.878 -1.892 551 HE1 TYR 74 HE2 TYR 74 12.205 10.955 -5.944 552 HE2 TYR 74 HE1 TYR 74 11.980 9.171 -2.075 553 HH TYR 74 HH TYR 74 13.651 9.055 -4.890 554 H ILE 75 H ILE 75 6.247 9.341 -2.687 555 HA ILE 75 HA ILE 75 7.545 6.879 -2.827 556 HB ILE 75 HB ILE 75 4.789 7.356 -1.692 557 HG12 ILE 75 HG12 ILE 75 6.333 8.997 -0.780 558 HG13 ILE 75 HG13 ILE 75 5.973 7.785 0.445 559 HG21 ILE 75 HG21 ILE 75 6.113 4.996 -1.995 560 HG22 ILE 75 HG22 ILE 75 6.616 5.483 -0.378 561 HG23 ILE 75 HG23 ILE 75 4.901 5.321 -0.756 562 HD11 ILE 75 HD11 ILE 75 8.493 8.609 -0.563 563 HD12 ILE 75 HD12 ILE 75 8.136 7.445 0.712 564 HD13 ILE 75 HD13 ILE 75 8.256 6.908 -0.963 565 H VAL 76 H VAL 76 4.474 7.924 -4.228 566 HA VAL 76 HA VAL 76 3.755 5.355 -5.234 567 HB VAL 76 HB VAL 76 2.792 8.101 -6.044 568 HG11 VAL 76 HG11 VAL 76 0.772 6.471 -6.713 569 HG12 VAL 76 HG12 VAL 76 2.046 6.942 -7.839 570 HG13 VAL 76 HG13 VAL 76 2.132 5.388 -7.009 571 HG21 VAL 76 HG21 VAL 76 0.954 7.748 -4.588 572 HG22 VAL 76 HG22 VAL 76 1.397 6.062 -4.323 573 HG23 VAL 76 HG23 VAL 76 2.403 7.351 -3.665 574 H SER 77 H SER 77 4.765 8.319 -6.951 575 HA SER 77 HA SER 77 5.089 7.231 -9.464 576 HB2 SER 77 HB2 SER 77 5.242 9.672 -8.835 577 HB3 SER 77 HB3 SER 77 6.893 9.361 -8.298 578 HG SER 77 HG SER 77 7.244 8.539 -10.490 579 H ASN 78 H ASN 78 7.172 6.988 -6.682 580 HA ASN 78 HA ASN 78 9.369 5.866 -8.209 581 HB2 ASN 78 HB2 ASN 78 9.593 7.355 -6.123 582 HB3 ASN 78 HB3 ASN 78 9.157 5.917 -5.204 583 HD21 ASN 78 HD21 ASN 78 11.149 5.847 -4.185 584 HD22 ASN 78 HD22 ASN 78 12.588 5.354 -5.004 585 H SER 79 H SER 79 6.747 4.786 -6.163 586 HA SER 79 HA SER 79 6.815 2.153 -7.157 587 HB2 SER 79 HB2 SER 79 8.811 1.894 -5.787 588 HB3 SER 79 HB3 SER 79 7.955 2.513 -4.375 589 HG SER 79 HG SER 79 8.167 0.059 -4.924 Start of MODEL 12 1 H1 MET 1 H MET 1 2.502 1.653 0.700 2 HA MET 1 HA MET 1 3.166 0.016 -0.907 3 HB2 MET 1 HB2 MET 1 0.658 -1.152 0.058 4 HB3 MET 1 HB3 MET 1 0.891 -1.324 -1.676 5 HG2 MET 1 HG2 MET 1 2.797 -2.611 -1.426 6 HG3 MET 1 HG3 MET 1 3.083 -2.045 0.218 7 HE1 MET 1 HE1 MET 1 0.626 -3.685 -2.069 8 HE2 MET 1 HE2 MET 1 0.058 -5.125 -1.224 9 HE3 MET 1 HE3 MET 1 -0.666 -3.555 -0.874 10 H THR 2 H THR 2 -0.297 0.754 -1.321 11 HA THR 2 HA THR 2 0.268 1.865 -3.949 12 HB THR 2 HB THR 2 -1.663 0.331 -3.622 13 HG1 THR 2 HG1 THR 2 -3.150 1.734 -4.769 14 HG21 THR 2 HG21 THR 2 -3.338 0.707 -2.158 15 HG22 THR 2 HG22 THR 2 -3.342 2.445 -2.458 16 HG23 THR 2 HG23 THR 2 -2.161 1.744 -1.353 17 H ARG 3 H ARG 3 -1.136 3.869 -4.519 18 HA ARG 3 HA ARG 3 -0.128 6.066 -3.123 19 HB2 ARG 3 HB2 ARG 3 -1.783 7.396 -4.429 20 HB3 ARG 3 HB3 ARG 3 -0.822 6.300 -5.413 21 HG2 ARG 3 HG2 ARG 3 -2.767 4.677 -5.234 22 HG3 ARG 3 HG3 ARG 3 -3.697 6.036 -4.598 23 HD2 ARG 3 HD2 ARG 3 -2.325 6.895 -6.938 24 HD3 ARG 3 HD3 ARG 3 -3.146 5.378 -7.301 25 HE ARG 3 HE ARG 3 -5.002 6.915 -5.986 26 HH11 ARG 3 HH11 ARG 3 -3.078 7.225 -8.870 27 HH12 ARG 3 HH12 ARG 3 -4.240 8.209 -9.697 28 HH21 ARG 3 HH21 ARG 3 -6.540 8.211 -7.063 29 HH22 ARG 3 HH22 ARG 3 -6.208 8.771 -8.667 30 H GLU 4 H GLU 4 -3.186 4.353 -2.823 31 HA GLU 4 HA GLU 4 -4.496 6.202 -1.150 32 HB2 GLU 4 HB2 GLU 4 -5.101 3.729 -2.300 33 HB3 GLU 4 HB3 GLU 4 -5.211 3.453 -0.568 34 HG2 GLU 4 HG2 GLU 4 -6.997 4.836 -0.314 35 HG3 GLU 4 HG3 GLU 4 -6.531 5.869 -1.664 36 H GLU 5 H GLU 5 -3.009 3.088 -0.232 37 HA GLU 5 HA GLU 5 -3.127 3.373 2.502 38 HB2 GLU 5 HB2 GLU 5 -0.956 2.057 0.861 39 HB3 GLU 5 HB3 GLU 5 -1.171 1.836 2.592 40 HG2 GLU 5 HG2 GLU 5 -3.097 1.044 0.422 41 HG3 GLU 5 HG3 GLU 5 -2.114 -0.032 1.414 42 H VAL 6 H VAL 6 -0.577 4.502 0.311 43 HA VAL 6 HA VAL 6 1.157 5.515 2.277 44 HB VAL 6 HB VAL 6 0.787 6.422 -0.582 45 HG11 VAL 6 HG11 VAL 6 2.352 7.533 1.532 46 HG12 VAL 6 HG12 VAL 6 3.428 6.841 0.318 47 HG13 VAL 6 HG13 VAL 6 2.232 8.050 -0.149 48 HG21 VAL 6 HG21 VAL 6 2.171 4.760 -1.242 49 HG22 VAL 6 HG22 VAL 6 3.118 4.808 0.246 50 HG23 VAL 6 HG23 VAL 6 1.563 3.975 0.215 51 H LEU 7 H LEU 7 -1.264 7.203 0.277 52 HA LEU 7 HA LEU 7 -0.954 9.745 1.345 53 HB2 LEU 7 HB2 LEU 7 -2.264 9.559 -0.583 54 HB3 LEU 7 HB3 LEU 7 -3.295 8.320 0.131 55 HG LEU 7 HG LEU 7 -4.255 10.057 1.626 56 HD11 LEU 7 HD11 LEU 7 -3.816 12.356 1.305 57 HD12 LEU 7 HD12 LEU 7 -2.856 12.047 -0.141 58 HD13 LEU 7 HD13 LEU 7 -2.244 11.568 1.442 59 HD21 LEU 7 HD21 LEU 7 -4.567 10.985 -1.199 60 HD22 LEU 7 HD22 LEU 7 -5.788 10.796 0.060 61 HD23 LEU 7 HD23 LEU 7 -5.106 9.373 -0.729 62 H GLN 8 H GLN 8 -3.084 7.117 2.419 63 HA GLN 8 HA GLN 8 -4.370 8.503 4.483 64 HB2 GLN 8 HB2 GLN 8 -3.862 5.617 3.894 65 HB3 GLN 8 HB3 GLN 8 -4.505 6.061 5.469 66 HG2 GLN 8 HG2 GLN 8 -6.415 7.114 4.436 67 HG3 GLN 8 HG3 GLN 8 -5.753 6.800 2.832 68 HE21 GLN 8 HE21 GLN 8 -8.155 5.886 4.609 69 HE22 GLN 8 HE22 GLN 8 -8.228 4.190 4.286 70 H LYS 9 H LYS 9 -1.689 6.165 4.787 71 HA LYS 9 HA LYS 9 -1.117 6.461 7.444 72 HB2 LYS 9 HB2 LYS 9 0.321 5.560 5.086 73 HB3 LYS 9 HB3 LYS 9 1.402 6.300 6.260 74 HG2 LYS 9 HG2 LYS 9 1.238 3.896 6.592 75 HG3 LYS 9 HG3 LYS 9 0.598 4.778 7.981 76 HD2 LYS 9 HD2 LYS 9 -1.466 4.259 6.025 77 HD3 LYS 9 HD3 LYS 9 -0.677 2.764 6.535 78 HE2 LYS 9 HE2 LYS 9 -1.398 2.959 8.692 79 HE3 LYS 9 HE3 LYS 9 -1.423 4.721 8.640 80 HZ1 LYS 9 HZ1 LYS 9 -3.552 2.922 8.252 81 HZ2 LYS 9 HZ2 LYS 9 -3.332 3.814 6.832 82 HZ3 LYS 9 HZ3 LYS 9 -3.594 4.613 8.300 83 H VAL 10 H VAL 10 0.534 8.275 4.849 84 HA VAL 10 HA VAL 10 2.003 10.004 6.400 85 HB VAL 10 HB VAL 10 0.663 10.587 3.757 86 HG11 VAL 10 HG11 VAL 10 1.240 12.672 4.830 87 HG12 VAL 10 HG12 VAL 10 2.862 12.075 5.188 88 HG13 VAL 10 HG13 VAL 10 2.374 12.355 3.516 89 HG21 VAL 10 HG21 VAL 10 3.391 10.289 3.385 90 HG22 VAL 10 HG22 VAL 10 2.977 9.026 4.544 91 HG23 VAL 10 HG23 VAL 10 2.144 9.105 2.992 92 H ALA 11 H ALA 11 -1.346 10.403 5.297 93 HA ALA 11 HA ALA 11 -1.763 12.965 6.377 94 HB1 ALA 11 HB1 ALA 11 -3.305 12.213 4.763 95 HB2 ALA 11 HB2 ALA 11 -3.654 10.740 5.668 96 HB3 ALA 11 HB3 ALA 11 -4.208 12.300 6.276 97 H LYS 12 H LYS 12 -2.140 9.738 7.748 98 HA LYS 12 HA LYS 12 -3.364 10.622 10.170 99 HB2 LYS 12 HB2 LYS 12 -3.297 8.245 9.038 100 HB3 LYS 12 HB3 LYS 12 -1.835 8.056 9.997 101 HG2 LYS 12 HG2 LYS 12 -4.334 8.995 11.320 102 HG3 LYS 12 HG3 LYS 12 -4.144 7.284 10.929 103 HD2 LYS 12 HD2 LYS 12 -1.827 8.543 12.237 104 HD3 LYS 12 HD3 LYS 12 -3.283 8.431 13.228 105 HE2 LYS 12 HE2 LYS 12 -2.414 6.036 11.688 106 HE3 LYS 12 HE3 LYS 12 -1.520 6.471 13.144 107 HZ1 LYS 12 HZ1 LYS 12 -3.097 5.218 14.116 108 HZ2 LYS 12 HZ2 LYS 12 -4.217 5.431 12.867 109 HZ3 LYS 12 HZ3 LYS 12 -4.016 6.637 14.037 110 H ILE 13 H ILE 13 -0.129 9.236 9.569 111 HA ILE 13 HA ILE 13 1.000 9.715 12.029 112 HB ILE 13 HB ILE 13 2.403 9.948 9.364 113 HG12 ILE 13 HG12 ILE 13 2.003 7.556 11.176 114 HG13 ILE 13 HG13 ILE 13 1.201 7.817 9.631 115 HG21 ILE 13 HG21 ILE 13 3.479 9.424 12.132 116 HG22 ILE 13 HG22 ILE 13 4.416 9.321 10.642 117 HG23 ILE 13 HG23 ILE 13 3.743 10.869 11.155 118 HD11 ILE 13 HD11 ILE 13 3.886 8.038 9.027 119 HD12 ILE 13 HD12 ILE 13 3.813 6.724 10.202 120 HD13 ILE 13 HD13 ILE 13 2.848 6.643 8.728 121 H ILE 14 H ILE 14 0.636 11.949 9.324 122 HA ILE 14 HA ILE 14 2.142 14.053 10.547 123 HB ILE 14 HB ILE 14 0.260 14.000 8.195 124 HG12 ILE 14 HG12 ILE 14 3.249 14.424 8.415 125 HG13 ILE 14 HG13 ILE 14 2.464 12.933 7.907 126 HG21 ILE 14 HG21 ILE 14 0.009 16.178 9.137 127 HG22 ILE 14 HG22 ILE 14 1.749 16.340 9.368 128 HG23 ILE 14 HG23 ILE 14 1.074 16.321 7.739 129 HD11 ILE 14 HD11 ILE 14 1.407 14.375 6.062 130 HD12 ILE 14 HD12 ILE 14 2.669 15.540 6.463 131 HD13 ILE 14 HD13 ILE 14 3.104 13.920 5.916 132 H SER 15 H SER 15 -1.308 13.328 10.187 133 HA SER 15 HA SER 15 -2.252 15.694 11.410 134 HB2 SER 15 HB2 SER 15 -3.713 14.325 10.020 135 HB3 SER 15 HB3 SER 15 -3.563 12.977 11.148 136 HG SER 15 HG SER 15 -4.494 15.463 12.065 137 H ASN 16 H ASN 16 -0.908 12.793 12.677 138 HA ASN 16 HA ASN 16 -1.976 13.251 15.348 139 HB2 ASN 16 HB2 ASN 16 -0.400 11.054 14.052 140 HB3 ASN 16 HB3 ASN 16 -0.417 11.194 15.807 141 HD21 ASN 16 HD21 ASN 16 -2.869 11.628 13.279 142 HD22 ASN 16 HD22 ASN 16 -4.017 10.535 13.969 143 H HIS 17 H HIS 17 1.168 13.159 13.701 144 HA HIS 17 HA HIS 17 2.688 13.890 15.980 145 HB2 HIS 17 HB2 HIS 17 3.651 12.772 13.989 146 HB3 HIS 17 HB3 HIS 17 3.383 14.242 13.056 147 HD1 HIS 17 HD1 HIS 17 6.001 12.562 14.681 148 HD2 HIS 17 HD2 HIS 17 4.794 16.535 14.552 149 HE1 HIS 17 HE1 HIS 17 8.020 13.900 15.357 150 H PHE 18 H PHE 18 1.448 15.753 13.221 151 HA PHE 18 HA PHE 18 2.279 18.237 14.512 152 HB2 PHE 18 HB2 PHE 18 1.054 17.738 11.791 153 HB3 PHE 18 HB3 PHE 18 1.585 19.306 12.389 154 HD1 PHE 18 HD2 PHE 18 2.665 16.019 11.193 155 HD2 PHE 18 HD1 PHE 18 3.919 19.866 12.515 156 HE1 PHE 18 HE2 PHE 18 4.927 15.574 10.333 157 HE2 PHE 18 HE1 PHE 18 6.182 19.427 11.656 158 HZ PHE 18 HZ PHE 18 6.689 17.279 10.563 159 H ASP 19 H ASP 19 0.568 20.090 14.075 160 HA ASP 19 HA ASP 19 -1.881 19.201 15.411 161 HB2 ASP 19 HB2 ASP 19 -0.202 21.326 15.917 162 HB3 ASP 19 HB3 ASP 19 -1.528 22.086 15.041 163 H ILE 20 H ILE 20 -1.208 19.053 12.445 164 HA ILE 20 HA ILE 20 -3.096 20.860 11.218 165 HB ILE 20 HB ILE 20 -0.968 20.025 10.114 166 HG12 ILE 20 HG12 ILE 20 -3.497 19.539 8.532 167 HG13 ILE 20 HG13 ILE 20 -2.908 21.144 8.950 168 HG21 ILE 20 HG21 ILE 20 -1.031 17.879 8.999 169 HG22 ILE 20 HG22 ILE 20 -1.256 17.659 10.734 170 HG23 ILE 20 HG23 ILE 20 -2.641 17.561 9.646 171 HD11 ILE 20 HD11 ILE 20 -2.291 19.710 6.685 172 HD12 ILE 20 HD12 ILE 20 -1.439 21.131 7.288 173 HD13 ILE 20 HD13 ILE 20 -0.863 19.516 7.701 174 H GLU 21 H GLU 21 -4.878 20.086 9.866 175 HA GLU 21 HA GLU 21 -6.402 18.055 11.272 176 HB2 GLU 21 HB2 GLU 21 -6.998 20.304 9.474 177 HB3 GLU 21 HB3 GLU 21 -8.005 18.886 9.216 178 HG2 GLU 21 HG2 GLU 21 -9.238 20.043 10.757 179 HG3 GLU 21 HG3 GLU 21 -8.307 18.968 11.799 180 H ALA 22 H ALA 22 -6.580 16.016 10.632 181 HA ALA 22 HA ALA 22 -5.178 14.922 8.491 182 HB1 ALA 22 HB1 ALA 22 -7.441 13.280 9.101 183 HB2 ALA 22 HB2 ALA 22 -5.743 13.034 9.510 184 HB3 ALA 22 HB3 ALA 22 -6.785 13.962 10.589 185 H ASP 23 H ASP 23 -8.203 16.536 8.538 186 HA ASP 23 HA ASP 23 -9.007 15.435 5.953 187 HB2 ASP 23 HB2 ASP 23 -10.668 15.737 7.825 188 HB3 ASP 23 HB3 ASP 23 -10.467 17.476 7.636 189 H GLN 24 H GLN 24 -7.671 18.302 7.388 190 HA GLN 24 HA GLN 24 -8.138 19.963 5.077 191 HB2 GLN 24 HB2 GLN 24 -6.460 20.396 7.552 192 HB3 GLN 24 HB3 GLN 24 -6.710 21.604 6.299 193 HG2 GLN 24 HG2 GLN 24 -8.880 20.363 7.975 194 HG3 GLN 24 HG3 GLN 24 -8.156 21.947 8.247 195 HE21 GLN 24 HE21 GLN 24 -8.494 23.589 6.674 196 HE22 GLN 24 HE22 GLN 24 -9.877 23.545 5.640 197 H VAL 25 H VAL 25 -5.558 17.980 6.351 198 HA VAL 25 HA VAL 25 -3.337 18.886 5.038 199 HB VAL 25 HB VAL 25 -2.675 16.416 4.846 200 HG11 VAL 25 HG11 VAL 25 -3.436 17.722 7.446 201 HG12 VAL 25 HG12 VAL 25 -2.534 16.207 7.366 202 HG13 VAL 25 HG13 VAL 25 -1.855 17.678 6.667 203 HG21 VAL 25 HG21 VAL 25 -4.089 14.768 5.448 204 HG22 VAL 25 HG22 VAL 25 -4.843 15.734 6.716 205 HG23 VAL 25 HG23 VAL 25 -5.332 15.949 5.036 206 H THR 26 H THR 26 -3.337 19.600 2.993 207 HA THR 26 HA THR 26 -4.167 17.710 0.895 208 HB THR 26 HB THR 26 -5.900 19.415 1.038 209 HG1 THR 26 HG1 THR 26 -5.955 19.634 -1.091 210 HG21 THR 26 HG21 THR 26 -4.806 21.262 2.039 211 HG22 THR 26 HG22 THR 26 -5.255 21.791 0.418 212 HG23 THR 26 HG23 THR 26 -3.590 21.327 0.765 213 H ASP 27 H ASP 27 -3.204 18.256 -1.253 214 HA ASP 27 HA ASP 27 -0.403 18.461 -1.047 215 HB2 ASP 27 HB2 ASP 27 -0.402 18.448 -3.494 216 HB3 ASP 27 HB3 ASP 27 -1.527 17.247 -2.867 217 H GLN 28 H GLN 28 -2.817 20.846 -1.138 218 HA GLN 28 HA GLN 28 -1.011 22.903 -2.160 219 HB2 GLN 28 HB2 GLN 28 -3.928 22.629 -1.844 220 HB3 GLN 28 HB3 GLN 28 -3.294 24.232 -1.497 221 HG2 GLN 28 HG2 GLN 28 -2.278 24.336 -3.693 222 HG3 GLN 28 HG3 GLN 28 -2.828 22.698 -4.044 223 HE21 GLN 28 HE21 GLN 28 -3.919 23.538 -5.874 224 HE22 GLN 28 HE22 GLN 28 -5.435 24.349 -5.706 225 H LEU 29 H LEU 29 -1.094 21.449 0.608 226 HA LEU 29 HA LEU 29 -0.611 23.901 2.147 227 HB2 LEU 29 HB2 LEU 29 -2.543 21.756 2.709 228 HB3 LEU 29 HB3 LEU 29 -1.535 22.232 4.074 229 HG LEU 29 HG LEU 29 -3.653 23.416 4.114 230 HD11 LEU 29 HD11 LEU 29 -2.316 25.788 3.476 231 HD12 LEU 29 HD12 LEU 29 -1.070 24.667 4.024 232 HD13 LEU 29 HD13 LEU 29 -2.453 25.022 5.059 233 HD21 LEU 29 HD21 LEU 29 -4.633 24.345 2.332 234 HD22 LEU 29 HD22 LEU 29 -3.481 23.409 1.380 235 HD23 LEU 29 HD23 LEU 29 -3.134 25.092 1.780 236 H ASN 30 H ASN 30 1.609 23.321 1.534 237 HA ASN 30 HA ASN 30 2.915 20.977 2.229 238 HB2 ASN 30 HB2 ASN 30 4.074 22.538 0.864 239 HB3 ASN 30 HB3 ASN 30 3.897 23.824 2.055 240 HD21 ASN 30 HD21 ASN 30 6.162 24.133 1.923 241 HD22 ASN 30 HD22 ASN 30 7.247 23.083 2.763 242 H ILE 31 H ILE 31 3.232 20.023 4.118 243 HA ILE 31 HA ILE 31 2.576 21.242 6.590 244 HB ILE 31 HB ILE 31 4.099 18.690 6.048 245 HG12 ILE 31 HG12 ILE 31 1.566 18.121 7.073 246 HG13 ILE 31 HG13 ILE 31 1.289 19.420 5.918 247 HG21 ILE 31 HG21 ILE 31 3.208 20.009 8.555 248 HG22 ILE 31 HG22 ILE 31 3.079 18.254 8.449 249 HG23 ILE 31 HG23 ILE 31 4.644 19.037 8.235 250 HD11 ILE 31 HD11 ILE 31 3.022 17.215 5.012 251 HD12 ILE 31 HD12 ILE 31 1.316 16.837 5.250 252 HD13 ILE 31 HD13 ILE 31 1.787 18.127 4.144 253 H LYS 32 H LYS 32 5.654 20.483 5.014 254 HA LYS 32 HA LYS 32 7.452 21.032 7.004 255 HB2 LYS 32 HB2 LYS 32 8.201 20.253 4.856 256 HB3 LYS 32 HB3 LYS 32 7.613 21.710 4.066 257 HG2 LYS 32 HG2 LYS 32 9.548 22.204 6.204 258 HG3 LYS 32 HG3 LYS 32 10.181 21.275 4.843 259 HD2 LYS 32 HD2 LYS 32 8.571 23.724 4.294 260 HD3 LYS 32 HD3 LYS 32 10.242 23.905 4.835 261 HE2 LYS 32 HE2 LYS 32 10.959 22.427 2.989 262 HE3 LYS 32 HE3 LYS 32 9.289 22.353 2.430 263 HZ1 LYS 32 HZ1 LYS 32 9.378 24.813 2.210 264 HZ2 LYS 32 HZ2 LYS 32 10.417 23.992 1.159 265 HZ3 LYS 32 HZ3 LYS 32 11.037 24.748 2.540 266 H ASP 33 H ASP 33 5.853 23.372 4.872 267 HA ASP 33 HA ASP 33 7.073 25.600 6.280 268 HB2 ASP 33 HB2 ASP 33 6.451 25.369 3.709 269 HB3 ASP 33 HB3 ASP 33 4.902 25.993 4.271 270 H ASP 34 H ASP 34 3.740 24.548 5.564 271 HA ASP 34 HA ASP 34 2.324 26.322 7.077 272 HB2 ASP 34 HB2 ASP 34 1.301 24.578 5.661 273 HB3 ASP 34 HB3 ASP 34 1.753 23.359 6.850 274 H LEU 35 H LEU 35 3.478 23.159 8.260 275 HA LEU 35 HA LEU 35 2.905 23.881 10.992 276 HB2 LEU 35 HB2 LEU 35 4.039 21.473 9.629 277 HB3 LEU 35 HB3 LEU 35 4.170 21.646 11.378 278 HG LEU 35 HG LEU 35 2.283 20.237 10.781 279 HD11 LEU 35 HD11 LEU 35 2.207 21.818 12.745 280 HD12 LEU 35 HD12 LEU 35 0.646 21.261 12.143 281 HD13 LEU 35 HD13 LEU 35 1.218 22.880 11.743 282 HD21 LEU 35 HD21 LEU 35 1.992 21.789 8.594 283 HD22 LEU 35 HD22 LEU 35 0.712 22.441 9.618 284 HD23 LEU 35 HD23 LEU 35 0.734 20.722 9.219 285 H ASN 36 H ASN 36 5.549 24.179 8.850 286 HA ASN 36 HA ASN 36 7.633 25.060 9.094 287 HB2 ASN 36 HB2 ASN 36 6.136 26.425 10.911 288 HB3 ASN 36 HB3 ASN 36 7.360 25.714 11.960 289 HD21 ASN 36 HD21 ASN 36 8.845 27.174 12.375 290 HD22 ASN 36 HD22 ASN 36 9.570 28.244 11.229 291 H ALA 37 H ALA 37 7.055 22.270 9.718 292 HA ALA 37 HA ALA 37 8.255 21.198 11.925 293 HB1 ALA 37 HB1 ALA 37 7.139 20.033 9.920 294 HB2 ALA 37 HB2 ALA 37 8.761 20.000 9.225 295 HB3 ALA 37 HB3 ALA 37 8.442 19.192 10.760 296 H ASP 38 H ASP 38 10.291 20.823 12.652 297 HA ASP 38 HA ASP 38 12.387 22.487 11.830 298 HB2 ASP 38 HB2 ASP 38 12.541 19.922 13.428 299 HB3 ASP 38 HB3 ASP 38 13.801 21.150 13.336 300 H SER 39 H SER 39 14.642 21.515 11.311 301 HA SER 39 HA SER 39 14.435 20.301 8.734 302 HB2 SER 39 HB2 SER 39 17.049 20.240 9.078 303 HB3 SER 39 HB3 SER 39 16.218 21.774 8.819 304 HG SER 39 HG SER 39 16.897 22.367 10.704 305 H ILE 40 H ILE 40 16.070 19.259 11.730 306 HA ILE 40 HA ILE 40 16.819 16.726 10.945 307 HB ILE 40 HB ILE 40 15.874 17.570 13.686 308 HG12 ILE 40 HG12 ILE 40 18.630 17.500 12.439 309 HG13 ILE 40 HG13 ILE 40 17.720 18.941 12.878 310 HG21 ILE 40 HG21 ILE 40 15.882 15.149 13.459 311 HG22 ILE 40 HG22 ILE 40 17.534 15.198 12.845 312 HG23 ILE 40 HG23 ILE 40 17.198 15.677 14.509 313 HD11 ILE 40 HD11 ILE 40 19.246 18.694 14.603 314 HD12 ILE 40 HD12 ILE 40 17.769 17.988 15.260 315 HD13 ILE 40 HD13 ILE 40 19.054 16.942 14.655 316 H SER 41 H SER 41 13.679 17.848 12.054 317 HA SER 41 HA SER 41 12.389 15.473 12.583 318 HB2 SER 41 HB2 SER 41 10.385 16.641 12.382 319 HB3 SER 41 HB3 SER 41 11.538 17.947 12.660 320 HG SER 41 HG SER 41 10.499 18.642 10.913 321 H VAL 42 H VAL 42 13.024 16.977 9.453 322 HA VAL 42 HA VAL 42 11.489 15.263 7.855 323 HB VAL 42 HB VAL 42 14.079 16.627 7.109 324 HG11 VAL 42 HG11 VAL 42 13.793 15.346 5.275 325 HG12 VAL 42 HG12 VAL 42 12.081 15.071 5.603 326 HG13 VAL 42 HG13 VAL 42 12.605 16.580 4.854 327 HG21 VAL 42 HG21 VAL 42 12.567 18.278 7.937 328 HG22 VAL 42 HG22 VAL 42 12.553 18.380 6.176 329 HG23 VAL 42 HG23 VAL 42 11.225 17.588 7.025 330 H MET 43 H MET 43 14.711 14.919 9.203 331 HA MET 43 HA MET 43 15.600 12.751 7.668 332 HB2 MET 43 HB2 MET 43 16.527 14.224 9.890 333 HB3 MET 43 HB3 MET 43 16.541 12.534 10.376 334 HG2 MET 43 HG2 MET 43 18.676 13.166 9.445 335 HG3 MET 43 HG3 MET 43 17.881 11.980 8.412 336 HE1 MET 43 HE1 MET 43 18.191 15.650 9.174 337 HE2 MET 43 HE2 MET 43 19.682 15.575 8.235 338 HE3 MET 43 HE3 MET 43 18.292 16.465 7.613 339 H GLU 44 H GLU 44 13.407 12.928 10.370 340 HA GLU 44 HA GLU 44 13.415 10.057 10.784 341 HB2 GLU 44 HB2 GLU 44 11.681 12.208 12.012 342 HB3 GLU 44 HB3 GLU 44 11.728 10.524 12.513 343 HG2 GLU 44 HG2 GLU 44 13.575 10.812 13.727 344 HG3 GLU 44 HG3 GLU 44 14.347 11.806 12.493 345 H PHE 45 H PHE 45 11.060 12.521 9.751 346 HA PHE 45 HA PHE 45 8.951 10.811 9.149 347 HB2 PHE 45 HB2 PHE 45 9.684 13.395 7.756 348 HB3 PHE 45 HB3 PHE 45 8.107 12.614 7.712 349 HD1 PHE 45 HD1 PHE 45 7.515 11.896 10.395 350 HD2 PHE 45 HD2 PHE 45 9.564 15.340 8.960 351 HE1 PHE 45 HE1 PHE 45 6.847 13.131 12.415 352 HE2 PHE 45 HE2 PHE 45 8.900 16.580 10.979 353 HZ PHE 45 HZ PHE 45 7.541 15.476 12.710 354 H VAL 46 H VAL 46 11.714 11.786 7.185 355 HA VAL 46 HA VAL 46 10.838 10.576 4.776 356 HB VAL 46 HB VAL 46 12.635 12.325 4.956 357 HG11 VAL 46 HG11 VAL 46 14.462 10.034 5.634 358 HG12 VAL 46 HG12 VAL 46 14.841 11.757 5.577 359 HG13 VAL 46 HG13 VAL 46 13.804 11.123 6.855 360 HG21 VAL 46 HG21 VAL 46 12.208 10.882 2.942 361 HG22 VAL 46 HG22 VAL 46 13.840 11.539 3.061 362 HG23 VAL 46 HG23 VAL 46 13.535 9.855 3.486 363 H LEU 47 H LEU 47 12.250 9.331 7.655 364 HA LEU 47 HA LEU 47 13.272 6.919 6.445 365 HB2 LEU 47 HB2 LEU 47 13.941 8.214 8.679 366 HB3 LEU 47 HB3 LEU 47 12.780 7.078 9.364 367 HG LEU 47 HG LEU 47 14.898 5.949 7.626 368 HD11 LEU 47 HD11 LEU 47 15.951 6.035 10.245 369 HD12 LEU 47 HD12 LEU 47 15.546 7.688 9.784 370 HD13 LEU 47 HD13 LEU 47 16.625 6.729 8.771 371 HD21 LEU 47 HD21 LEU 47 14.304 4.865 10.292 372 HD22 LEU 47 HD22 LEU 47 14.422 4.050 8.732 373 HD23 LEU 47 HD23 LEU 47 12.940 4.900 9.174 374 H GLU 48 H GLU 48 10.603 7.704 8.671 375 HA GLU 48 HA GLU 48 9.498 5.154 8.846 376 HB2 GLU 48 HB2 GLU 48 7.336 6.408 9.339 377 HB3 GLU 48 HB3 GLU 48 8.711 6.766 10.374 378 HG2 GLU 48 HG2 GLU 48 9.119 8.826 9.242 379 HG3 GLU 48 HG3 GLU 48 7.923 8.442 8.006 380 H LEU 49 H LEU 49 8.956 7.713 6.472 381 HA LEU 49 HA LEU 49 6.850 6.418 5.091 382 HB2 LEU 49 HB2 LEU 49 8.815 8.478 4.100 383 HB3 LEU 49 HB3 LEU 49 7.316 8.019 3.294 384 HG LEU 49 HG LEU 49 7.266 9.137 6.073 385 HD11 LEU 49 HD11 LEU 49 7.053 11.370 5.180 386 HD12 LEU 49 HD12 LEU 49 7.271 10.767 3.538 387 HD13 LEU 49 HD13 LEU 49 8.601 10.681 4.692 388 HD21 LEU 49 HD21 LEU 49 5.039 9.752 5.509 389 HD22 LEU 49 HD22 LEU 49 5.259 8.077 5.004 390 HD23 LEU 49 HD23 LEU 49 5.298 9.371 3.806 391 H GLU 50 H GLU 50 10.267 6.855 4.153 392 HA GLU 50 HA GLU 50 10.207 5.139 1.949 393 HB2 GLU 50 HB2 GLU 50 12.517 5.368 1.862 394 HB3 GLU 50 HB3 GLU 50 12.027 6.819 2.725 395 HG2 GLU 50 HG2 GLU 50 13.616 6.228 4.175 396 HG3 GLU 50 HG3 GLU 50 12.406 5.099 4.782 397 H ASP 51 H ASP 51 10.242 4.452 5.310 398 HA ASP 51 HA ASP 51 11.258 1.758 5.008 399 HB2 ASP 51 HB2 ASP 51 11.755 3.027 7.051 400 HB3 ASP 51 HB3 ASP 51 10.033 3.141 7.405 401 H GLU 52 H GLU 52 8.208 3.078 6.314 402 HA GLU 52 HA GLU 52 6.754 0.737 6.349 403 HB2 GLU 52 HB2 GLU 52 5.860 3.577 5.871 404 HB3 GLU 52 HB3 GLU 52 4.729 2.244 6.059 405 HG2 GLU 52 HG2 GLU 52 5.589 1.802 8.287 406 HG3 GLU 52 HG3 GLU 52 6.768 3.099 8.102 407 H PHE 53 H PHE 53 6.764 3.165 3.736 408 HA PHE 53 HA PHE 53 5.204 1.627 1.956 409 HB2 PHE 53 HB2 PHE 53 7.202 3.750 1.169 410 HB3 PHE 53 HB3 PHE 53 5.753 3.261 0.297 411 HD1 PHE 53 HD1 PHE 53 3.887 3.150 2.678 412 HD2 PHE 53 HD2 PHE 53 6.748 6.043 1.428 413 HE1 PHE 53 HE1 PHE 53 2.604 4.909 3.825 414 HE2 PHE 53 HE2 PHE 53 5.470 7.807 2.574 415 HZ PHE 53 HZ PHE 53 3.395 7.240 3.773 416 H GLY 54 H GLY 54 8.599 1.665 2.697 417 HA2 GLY 54 HA2 GLY 54 10.249 0.166 2.111 418 HA3 GLY 54 HA3 GLY 54 9.030 -0.765 1.254 419 H THR 55 H THR 55 10.471 2.478 0.891 420 HA THR 55 HA THR 55 11.312 1.743 -1.816 421 HB THR 55 HB THR 55 9.116 2.851 -2.051 422 HG1 THR 55 HG1 THR 55 10.196 3.354 -3.822 423 HG21 THR 55 HG21 THR 55 9.614 4.328 0.045 424 HG22 THR 55 HG22 THR 55 8.643 4.980 -1.275 425 HG23 THR 55 HG23 THR 55 10.345 5.418 -1.132 426 H GLU 56 H GLU 56 12.749 3.459 -2.777 427 HA GLU 56 HA GLU 56 14.536 4.461 -0.678 428 HB2 GLU 56 HB2 GLU 56 15.320 2.901 -2.571 429 HB3 GLU 56 HB3 GLU 56 15.191 4.312 -3.611 430 HG2 GLU 56 HG2 GLU 56 16.716 5.482 -1.949 431 HG3 GLU 56 HG3 GLU 56 17.020 3.882 -1.275 432 H ILE 57 H ILE 57 14.597 6.557 -0.239 433 HA ILE 57 HA ILE 57 13.516 8.440 -2.228 434 HB ILE 57 HB ILE 57 13.784 8.901 0.742 435 HG12 ILE 57 HG12 ILE 57 11.353 8.085 -0.864 436 HG13 ILE 57 HG13 ILE 57 12.199 7.082 0.308 437 HG21 ILE 57 HG21 ILE 57 12.880 10.947 0.426 438 HG22 ILE 57 HG22 ILE 57 13.574 10.758 -1.183 439 HG23 ILE 57 HG23 ILE 57 11.866 10.412 -0.913 440 HD11 ILE 57 HD11 ILE 57 10.525 9.517 0.799 441 HD12 ILE 57 HD12 ILE 57 10.311 7.882 1.426 442 HD13 ILE 57 HD13 ILE 57 11.640 8.883 2.009 443 H SER 58 H SER 58 14.920 9.737 -3.192 444 HA SER 58 HA SER 58 17.652 9.775 -2.715 445 HB2 SER 58 HB2 SER 58 15.826 11.089 -4.479 446 HB3 SER 58 HB3 SER 58 16.941 12.293 -3.833 447 HG SER 58 HG SER 58 17.519 9.952 -5.301 448 H ASP 59 H ASP 59 19.000 11.624 -2.038 449 HA ASP 59 HA ASP 59 18.117 12.592 0.533 450 HB2 ASP 59 HB2 ASP 59 20.624 12.081 -0.736 451 HB3 ASP 59 HB3 ASP 59 20.607 13.758 -0.198 452 H GLU 60 H GLU 60 18.441 13.826 -2.688 453 HA GLU 60 HA GLU 60 18.308 16.599 -1.881 454 HB2 GLU 60 HB2 GLU 60 17.909 15.537 -4.671 455 HB3 GLU 60 HB3 GLU 60 18.463 17.133 -4.185 456 HG2 GLU 60 HG2 GLU 60 19.998 14.579 -3.763 457 HG3 GLU 60 HG3 GLU 60 20.257 15.709 -5.091 458 H ASP 61 H ASP 61 16.217 14.513 -3.885 459 HA ASP 61 HA ASP 61 14.027 16.198 -4.028 460 HB2 ASP 61 HB2 ASP 61 14.205 13.186 -4.043 461 HB3 ASP 61 HB3 ASP 61 12.692 14.046 -4.318 462 H ALA 62 H ALA 62 14.923 13.912 -1.501 463 HA ALA 62 HA ALA 62 12.566 13.934 -0.011 464 HB1 ALA 62 HB1 ALA 62 15.420 13.632 0.912 465 HB2 ALA 62 HB2 ALA 62 14.003 13.297 1.909 466 HB3 ALA 62 HB3 ALA 62 14.306 12.342 0.457 467 H GLU 63 H GLU 63 14.781 16.445 -0.577 468 HA GLU 63 HA GLU 63 14.213 17.884 1.872 469 HB2 GLU 63 HB2 GLU 63 16.435 17.961 0.668 470 HB3 GLU 63 HB3 GLU 63 15.641 18.911 -0.580 471 HG2 GLU 63 HG2 GLU 63 14.938 20.328 1.589 472 HG3 GLU 63 HG3 GLU 63 16.480 19.672 2.137 473 H LYS 64 H LYS 64 12.914 17.611 -1.285 474 HA LYS 64 HA LYS 64 11.387 20.102 -0.962 475 HB2 LYS 64 HB2 LYS 64 10.786 19.675 -3.403 476 HB3 LYS 64 HB3 LYS 64 12.453 20.121 -3.065 477 HG2 LYS 64 HG2 LYS 64 13.111 17.771 -3.211 478 HG3 LYS 64 HG3 LYS 64 11.438 17.328 -3.557 479 HD2 LYS 64 HD2 LYS 64 12.260 17.450 -5.688 480 HD3 LYS 64 HD3 LYS 64 11.727 19.119 -5.476 481 HE2 LYS 64 HE2 LYS 64 13.894 19.904 -5.179 482 HE3 LYS 64 HE3 LYS 64 14.515 18.312 -4.743 483 HZ1 LYS 64 HZ1 LYS 64 13.525 18.984 -7.456 484 HZ2 LYS 64 HZ2 LYS 64 14.386 17.607 -6.985 485 HZ3 LYS 64 HZ3 LYS 64 15.150 19.116 -7.003 486 H ILE 65 H ILE 65 11.015 16.667 -1.780 487 HA ILE 65 HA ILE 65 8.172 16.732 -1.826 488 HB ILE 65 HB ILE 65 8.336 14.247 -1.702 489 HG12 ILE 65 HG12 ILE 65 11.206 14.146 -2.148 490 HG13 ILE 65 HG13 ILE 65 10.821 14.785 -0.554 491 HG21 ILE 65 HG21 ILE 65 9.340 13.973 -3.889 492 HG22 ILE 65 HG22 ILE 65 8.408 15.468 -3.837 493 HG23 ILE 65 HG23 ILE 65 10.167 15.522 -3.730 494 HD11 ILE 65 HD11 ILE 65 10.458 12.736 0.180 495 HD12 ILE 65 HD12 ILE 65 9.184 12.516 -1.020 496 HD13 ILE 65 HD13 ILE 65 10.851 12.098 -1.416 497 H GLU 66 H GLU 66 7.994 17.974 0.241 498 HA GLU 66 HA GLU 66 7.913 16.125 2.535 499 HB2 GLU 66 HB2 GLU 66 8.368 19.112 2.617 500 HB3 GLU 66 HB3 GLU 66 8.309 18.037 4.006 501 HG2 GLU 66 HG2 GLU 66 10.269 16.816 2.952 502 HG3 GLU 66 HG3 GLU 66 10.402 18.197 1.866 503 H THR 67 H THR 67 6.128 17.983 0.404 504 HA THR 67 HA THR 67 3.984 18.641 2.242 505 HB THR 67 HB THR 67 3.041 19.899 0.566 506 HG1 THR 67 HG1 THR 67 3.299 19.378 -1.669 507 HG21 THR 67 HG21 THR 67 5.783 19.789 -0.650 508 HG22 THR 67 HG22 THR 67 5.531 20.460 0.962 509 HG23 THR 67 HG23 THR 67 4.721 21.179 -0.430 510 H VAL 68 H VAL 68 1.766 17.932 1.846 511 HA VAL 68 HA VAL 68 1.424 15.207 1.895 512 HB VAL 68 HB VAL 68 -0.628 17.167 0.862 513 HG11 VAL 68 HG11 VAL 68 -2.266 15.585 1.608 514 HG12 VAL 68 HG12 VAL 68 -1.122 14.743 0.561 515 HG13 VAL 68 HG13 VAL 68 -1.021 14.554 2.312 516 HG21 VAL 68 HG21 VAL 68 0.151 18.030 2.934 517 HG22 VAL 68 HG22 VAL 68 -1.373 17.209 3.268 518 HG23 VAL 68 HG23 VAL 68 0.155 16.429 3.675 519 H GLY 69 H GLY 69 1.167 17.370 -0.907 520 HA2 GLY 69 HA2 GLY 69 0.564 15.186 -2.701 521 HA3 GLY 69 HA3 GLY 69 0.822 16.866 -3.148 522 H ALA 70 H ALA 70 3.341 17.339 -2.162 523 HA ALA 70 HA ALA 70 4.983 16.306 -4.179 524 HB1 ALA 70 HB1 ALA 70 5.314 18.421 -2.813 525 HB2 ALA 70 HB2 ALA 70 6.014 17.383 -1.570 526 HB3 ALA 70 HB3 ALA 70 6.758 17.472 -3.167 527 H ALA 71 H ALA 71 3.995 14.933 -1.216 528 HA ALA 71 HA ALA 71 6.267 13.143 -0.988 529 HB1 ALA 71 HB1 ALA 71 3.763 13.547 0.611 530 HB2 ALA 71 HB2 ALA 71 4.809 12.152 0.875 531 HB3 ALA 71 HB3 ALA 71 5.441 13.783 1.098 532 H VAL 72 H VAL 72 2.749 12.556 -1.142 533 HA VAL 72 HA VAL 72 2.885 9.882 -1.867 534 HB VAL 72 HB VAL 72 0.803 10.885 -1.132 535 HG11 VAL 72 HG11 VAL 72 1.291 13.050 -2.443 536 HG12 VAL 72 HG12 VAL 72 0.487 12.237 -3.787 537 HG13 VAL 72 HG13 VAL 72 -0.384 12.523 -2.280 538 HG21 VAL 72 HG21 VAL 72 0.789 8.859 -2.597 539 HG22 VAL 72 HG22 VAL 72 -0.701 9.801 -2.643 540 HG23 VAL 72 HG23 VAL 72 0.459 9.920 -3.967 541 H ASP 73 H ASP 73 2.911 12.767 -3.898 542 HA ASP 73 HA ASP 73 2.662 11.483 -6.387 543 HB2 ASP 73 HB2 ASP 73 2.340 13.875 -6.192 544 HB3 ASP 73 HB3 ASP 73 4.002 14.092 -5.653 545 H TYR 74 H TYR 74 5.348 11.863 -4.228 546 HA TYR 74 HA TYR 74 7.292 11.074 -6.241 547 HB2 TYR 74 HB2 TYR 74 7.885 12.780 -4.554 548 HB3 TYR 74 HB3 TYR 74 7.659 11.586 -3.281 549 HD1 TYR 74 HD2 TYR 74 9.625 12.142 -6.405 550 HD2 TYR 74 HD1 TYR 74 9.487 10.368 -2.540 551 HE1 TYR 74 HE2 TYR 74 11.972 11.450 -6.646 552 HE2 TYR 74 HE1 TYR 74 11.835 9.672 -2.770 553 HH TYR 74 HH TYR 74 13.434 9.490 -5.563 554 H ILE 75 H ILE 75 6.085 9.826 -3.132 555 HA ILE 75 HA ILE 75 7.474 7.403 -3.152 556 HB ILE 75 HB ILE 75 4.745 7.915 -1.963 557 HG12 ILE 75 HG12 ILE 75 6.370 9.560 -1.177 558 HG13 ILE 75 HG13 ILE 75 5.981 8.425 0.112 559 HG21 ILE 75 HG21 ILE 75 6.480 6.090 -0.541 560 HG22 ILE 75 HG22 ILE 75 4.820 5.870 -1.090 561 HG23 ILE 75 HG23 ILE 75 6.161 5.539 -2.186 562 HD11 ILE 75 HD11 ILE 75 8.147 8.091 0.382 563 HD12 ILE 75 HD12 ILE 75 8.197 7.351 -1.218 564 HD13 ILE 75 HD13 ILE 75 8.519 9.075 -1.034 565 H VAL 76 H VAL 76 4.334 8.266 -4.527 566 HA VAL 76 HA VAL 76 3.689 5.615 -5.367 567 HB VAL 76 HB VAL 76 2.578 8.284 -6.240 568 HG11 VAL 76 HG11 VAL 76 0.658 6.877 -7.075 569 HG12 VAL 76 HG12 VAL 76 2.146 6.777 -8.019 570 HG13 VAL 76 HG13 VAL 76 1.717 5.478 -6.905 571 HG21 VAL 76 HG21 VAL 76 0.743 7.801 -4.774 572 HG22 VAL 76 HG22 VAL 76 1.385 6.197 -4.419 573 HG23 VAL 76 HG23 VAL 76 2.241 7.633 -3.858 574 H SER 77 H SER 77 4.539 8.529 -7.249 575 HA SER 77 HA SER 77 4.811 7.343 -9.723 576 HB2 SER 77 HB2 SER 77 4.872 9.764 -9.430 577 HB3 SER 77 HB3 SER 77 6.411 9.645 -8.576 578 HG SER 77 HG SER 77 7.419 9.425 -10.419 579 H ASN 78 H ASN 78 6.999 7.292 -7.011 580 HA ASN 78 HA ASN 78 9.174 6.166 -8.563 581 HB2 ASN 78 HB2 ASN 78 9.584 7.730 -6.661 582 HB3 ASN 78 HB3 ASN 78 8.953 6.504 -5.565 583 HD21 ASN 78 HD21 ASN 78 10.967 6.515 -4.492 584 HD22 ASN 78 HD22 ASN 78 12.329 5.681 -5.153 585 H SER 79 H SER 79 6.717 5.101 -6.291 586 HA SER 79 HA SER 79 5.992 3.038 -5.663 587 HB2 SER 79 HB2 SER 79 6.069 2.866 -8.274 588 HB3 SER 79 HB3 SER 79 7.444 1.802 -7.981 589 HG SER 79 HG SER 79 6.115 0.448 -6.802 Start of MODEL 13 1 H1 MET 1 H MET 1 1.529 0.135 0.789 2 HA MET 1 HA MET 1 3.442 0.202 -1.363 3 HB2 MET 1 HB2 MET 1 0.888 -1.399 -1.257 4 HB3 MET 1 HB3 MET 1 2.331 -1.737 -2.203 5 HG2 MET 1 HG2 MET 1 3.453 -1.836 0.178 6 HG3 MET 1 HG3 MET 1 1.801 -2.190 0.681 7 HE1 MET 1 HE1 MET 1 2.616 -5.798 0.835 8 HE2 MET 1 HE2 MET 1 3.855 -4.639 1.317 9 HE3 MET 1 HE3 MET 1 2.154 -4.295 1.636 10 H THR 2 H THR 2 -0.124 0.335 -1.386 11 HA THR 2 HA THR 2 -0.071 1.737 -3.924 12 HB THR 2 HB THR 2 -1.742 -0.055 -3.478 13 HG1 THR 2 HG1 THR 2 -3.162 0.981 -4.717 14 HG21 THR 2 HG21 THR 2 -2.136 0.569 -1.090 15 HG22 THR 2 HG22 THR 2 -3.614 0.343 -2.025 16 HG23 THR 2 HG23 THR 2 -3.043 1.970 -1.658 17 H ARG 3 H ARG 3 -1.783 3.574 -4.114 18 HA ARG 3 HA ARG 3 -0.847 5.778 -2.677 19 HB2 ARG 3 HB2 ARG 3 -2.796 6.983 -3.631 20 HB3 ARG 3 HB3 ARG 3 -1.903 6.057 -4.831 21 HG2 ARG 3 HG2 ARG 3 -3.682 4.217 -4.301 22 HG3 ARG 3 HG3 ARG 3 -4.623 5.590 -3.714 23 HD2 ARG 3 HD2 ARG 3 -3.404 6.173 -6.265 24 HD3 ARG 3 HD3 ARG 3 -4.382 4.709 -6.350 25 HE ARG 3 HE ARG 3 -5.976 6.495 -5.057 26 HH11 ARG 3 HH11 ARG 3 -4.250 6.508 -8.080 27 HH12 ARG 3 HH12 ARG 3 -5.385 7.549 -8.873 28 HH21 ARG 3 HH21 ARG 3 -7.477 7.867 -6.090 29 HH22 ARG 3 HH22 ARG 3 -7.220 8.322 -7.740 30 H GLU 4 H GLU 4 -3.683 3.734 -2.171 31 HA GLU 4 HA GLU 4 -4.909 5.251 -0.158 32 HB2 GLU 4 HB2 GLU 4 -5.303 2.723 -1.391 33 HB3 GLU 4 HB3 GLU 4 -5.314 2.467 0.348 34 HG2 GLU 4 HG2 GLU 4 -6.987 4.342 0.498 35 HG3 GLU 4 HG3 GLU 4 -7.093 4.273 -1.260 36 H GLU 5 H GLU 5 -2.975 2.279 0.265 37 HA GLU 5 HA GLU 5 -2.735 2.329 3.002 38 HB2 GLU 5 HB2 GLU 5 -1.874 0.614 1.232 39 HB3 GLU 5 HB3 GLU 5 -0.383 1.541 1.317 40 HG2 GLU 5 HG2 GLU 5 -0.273 -0.367 2.789 41 HG3 GLU 5 HG3 GLU 5 -0.265 1.127 3.724 42 H VAL 6 H VAL 6 -0.571 3.863 0.634 43 HA VAL 6 HA VAL 6 1.242 4.960 2.465 44 HB VAL 6 HB VAL 6 0.442 6.008 -0.254 45 HG11 VAL 6 HG11 VAL 6 3.116 6.651 0.378 46 HG12 VAL 6 HG12 VAL 6 1.757 7.752 0.142 47 HG13 VAL 6 HG13 VAL 6 2.127 7.138 1.754 48 HG21 VAL 6 HG21 VAL 6 1.631 3.622 0.342 49 HG22 VAL 6 HG22 VAL 6 1.801 4.487 -1.186 50 HG23 VAL 6 HG23 VAL 6 3.023 4.670 0.072 51 H LEU 7 H LEU 7 -1.481 6.567 0.810 52 HA LEU 7 HA LEU 7 -1.339 9.019 2.071 53 HB2 LEU 7 HB2 LEU 7 -2.811 8.833 0.263 54 HB3 LEU 7 HB3 LEU 7 -3.643 7.449 0.969 55 HG LEU 7 HG LEU 7 -4.656 8.932 2.647 56 HD11 LEU 7 HD11 LEU 7 -4.506 11.396 2.242 57 HD12 LEU 7 HD12 LEU 7 -3.169 11.072 1.140 58 HD13 LEU 7 HD13 LEU 7 -3.025 10.655 2.847 59 HD21 LEU 7 HD21 LEU 7 -6.342 9.650 1.271 60 HD22 LEU 7 HD22 LEU 7 -5.537 8.491 0.212 61 HD23 LEU 7 HD23 LEU 7 -5.233 10.219 0.023 62 H GLN 8 H GLN 8 -3.060 6.101 3.124 63 HA GLN 8 HA GLN 8 -4.281 7.182 5.397 64 HB2 GLN 8 HB2 GLN 8 -3.422 4.390 4.678 65 HB3 GLN 8 HB3 GLN 8 -4.191 4.746 6.219 66 HG2 GLN 8 HG2 GLN 8 -6.098 5.735 4.933 67 HG3 GLN 8 HG3 GLN 8 -5.346 5.103 3.469 68 HE21 GLN 8 HE21 GLN 8 -7.427 3.974 3.311 69 HE22 GLN 8 HE22 GLN 8 -7.605 2.459 4.122 70 H LYS 9 H LYS 9 -1.336 5.168 5.277 71 HA LYS 9 HA LYS 9 -0.539 5.350 7.884 72 HB2 LYS 9 HB2 LYS 9 0.782 4.855 5.326 73 HB3 LYS 9 HB3 LYS 9 1.860 5.562 6.522 74 HG2 LYS 9 HG2 LYS 9 1.925 3.113 6.533 75 HG3 LYS 9 HG3 LYS 9 1.375 3.775 8.074 76 HD2 LYS 9 HD2 LYS 9 -0.779 3.222 6.167 77 HD3 LYS 9 HD3 LYS 9 0.122 1.791 6.672 78 HE2 LYS 9 HE2 LYS 9 -0.811 1.816 8.697 79 HE3 LYS 9 HE3 LYS 9 -0.473 3.534 8.908 80 HZ1 LYS 9 HZ1 LYS 9 -2.933 2.324 8.428 81 HZ2 LYS 9 HZ2 LYS 9 -2.557 3.225 7.047 82 HZ3 LYS 9 HZ3 LYS 9 -2.598 3.978 8.561 83 H VAL 10 H VAL 10 0.621 7.533 5.307 84 HA VAL 10 HA VAL 10 2.023 9.320 6.858 85 HB VAL 10 HB VAL 10 0.378 9.902 4.393 86 HG11 VAL 10 HG11 VAL 10 1.824 11.895 4.152 87 HG12 VAL 10 HG12 VAL 10 0.777 11.970 5.570 88 HG13 VAL 10 HG13 VAL 10 2.487 11.575 5.754 89 HG21 VAL 10 HG21 VAL 10 3.078 10.000 3.779 90 HG22 VAL 10 HG22 VAL 10 2.934 8.616 4.862 91 HG23 VAL 10 HG23 VAL 10 1.962 8.691 3.393 92 H ALA 11 H ALA 11 -1.440 9.381 6.082 93 HA ALA 11 HA ALA 11 -2.048 11.788 7.400 94 HB1 ALA 11 HB1 ALA 11 -3.881 9.430 6.986 95 HB2 ALA 11 HB2 ALA 11 -4.354 11.108 7.259 96 HB3 ALA 11 HB3 ALA 11 -3.528 10.656 5.768 97 H LYS 12 H LYS 12 -1.952 8.445 8.531 98 HA LYS 12 HA LYS 12 -3.023 8.998 11.112 99 HB2 LYS 12 HB2 LYS 12 -2.796 6.735 9.808 100 HB3 LYS 12 HB3 LYS 12 -1.215 6.669 10.576 101 HG2 LYS 12 HG2 LYS 12 -2.493 7.067 12.769 102 HG3 LYS 12 HG3 LYS 12 -3.925 6.609 11.844 103 HD2 LYS 12 HD2 LYS 12 -3.419 4.479 12.237 104 HD3 LYS 12 HD3 LYS 12 -1.978 4.686 11.239 105 HE2 LYS 12 HE2 LYS 12 -1.350 3.793 13.392 106 HE3 LYS 12 HE3 LYS 12 -0.742 5.440 13.237 107 HZ1 LYS 12 HZ1 LYS 12 -3.117 5.863 14.382 108 HZ2 LYS 12 HZ2 LYS 12 -1.675 5.683 15.246 109 HZ3 LYS 12 HZ3 LYS 12 -2.718 4.364 15.058 110 H ILE 13 H ILE 13 0.289 8.092 10.130 111 HA ILE 13 HA ILE 13 1.575 8.538 12.517 112 HB ILE 13 HB ILE 13 2.686 9.147 9.775 113 HG12 ILE 13 HG12 ILE 13 2.735 6.593 11.397 114 HG13 ILE 13 HG13 ILE 13 1.784 6.867 9.942 115 HG21 ILE 13 HG21 ILE 13 4.063 10.093 11.524 116 HG22 ILE 13 HG22 ILE 13 4.066 8.557 12.389 117 HG23 ILE 13 HG23 ILE 13 4.869 8.688 10.825 118 HD11 ILE 13 HD11 ILE 13 4.661 6.300 10.253 119 HD12 ILE 13 HD12 ILE 13 3.529 5.802 8.995 120 HD13 ILE 13 HD13 ILE 13 4.207 7.430 8.978 121 H ILE 14 H ILE 14 0.716 10.894 10.032 122 HA ILE 14 HA ILE 14 2.045 13.082 11.305 123 HB ILE 14 HB ILE 14 -0.022 12.963 9.117 124 HG12 ILE 14 HG12 ILE 14 2.906 13.728 9.113 125 HG13 ILE 14 HG13 ILE 14 2.257 12.185 8.570 126 HG21 ILE 14 HG21 ILE 14 -0.424 15.025 10.250 127 HG22 ILE 14 HG22 ILE 14 1.301 15.373 10.342 128 HG23 ILE 14 HG23 ILE 14 0.481 15.388 8.781 129 HD11 ILE 14 HD11 ILE 14 0.872 13.585 6.926 130 HD12 ILE 14 HD12 ILE 14 2.008 14.880 7.304 131 HD13 ILE 14 HD13 ILE 14 2.593 13.369 6.609 132 H SER 15 H SER 15 -1.266 11.859 11.245 133 HA SER 15 HA SER 15 -2.388 14.021 12.716 134 HB2 SER 15 HB2 SER 15 -3.761 12.564 11.286 135 HB3 SER 15 HB3 SER 15 -3.420 11.197 12.347 136 HG SER 15 HG SER 15 -4.565 12.195 13.974 137 H ASN 16 H ASN 16 -0.515 11.308 13.590 138 HA ASN 16 HA ASN 16 -1.429 11.348 16.365 139 HB2 ASN 16 HB2 ASN 16 0.320 9.508 14.761 140 HB3 ASN 16 HB3 ASN 16 0.380 9.477 16.521 141 HD21 ASN 16 HD21 ASN 16 -2.313 9.925 14.266 142 HD22 ASN 16 HD22 ASN 16 -3.244 8.589 14.843 143 H HIS 17 H HIS 17 1.543 11.819 14.480 144 HA HIS 17 HA HIS 17 3.158 12.542 16.695 145 HB2 HIS 17 HB2 HIS 17 4.087 11.749 14.549 146 HB3 HIS 17 HB3 HIS 17 3.524 13.224 13.769 147 HD1 HIS 17 HD1 HIS 17 6.474 11.827 15.141 148 HD2 HIS 17 HD2 HIS 17 4.751 15.607 15.213 149 HE1 HIS 17 HE1 HIS 17 8.342 13.406 15.727 150 H PHE 18 H PHE 18 1.446 14.462 14.245 151 HA PHE 18 HA PHE 18 2.071 16.909 15.710 152 HB2 PHE 18 HB2 PHE 18 0.674 16.496 13.059 153 HB3 PHE 18 HB3 PHE 18 1.055 18.062 13.768 154 HD1 PHE 18 HD1 PHE 18 3.369 18.832 13.908 155 HD2 PHE 18 HD2 PHE 18 2.358 15.155 12.017 156 HE1 PHE 18 HE1 PHE 18 5.581 18.782 12.832 157 HE2 PHE 18 HE2 PHE 18 4.569 15.099 10.938 158 HZ PHE 18 HZ PHE 18 6.184 16.913 11.346 159 H ASP 19 H ASP 19 0.144 18.547 15.682 160 HA ASP 19 HA ASP 19 -2.027 17.240 17.125 161 HB2 ASP 19 HB2 ASP 19 -1.767 20.212 16.795 162 HB3 ASP 19 HB3 ASP 19 -2.468 19.300 18.130 163 H ILE 20 H ILE 20 -1.597 17.473 14.067 164 HA ILE 20 HA ILE 20 -3.921 18.953 13.207 165 HB ILE 20 HB ILE 20 -1.793 18.695 11.851 166 HG12 ILE 20 HG12 ILE 20 -4.357 17.868 10.474 167 HG13 ILE 20 HG13 ILE 20 -3.973 19.518 10.951 168 HG21 ILE 20 HG21 ILE 20 -1.639 16.223 12.263 169 HG22 ILE 20 HG22 ILE 20 -2.966 16.021 11.121 170 HG23 ILE 20 HG23 ILE 20 -1.437 16.716 10.582 171 HD11 ILE 20 HD11 ILE 20 -2.516 19.811 9.254 172 HD12 ILE 20 HD12 ILE 20 -1.989 18.127 9.266 173 HD13 ILE 20 HD13 ILE 20 -3.520 18.567 8.510 174 H GLU 21 H GLU 21 -5.649 17.965 11.938 175 HA GLU 21 HA GLU 21 -6.493 15.444 13.147 176 HB2 GLU 21 HB2 GLU 21 -7.861 17.749 12.742 177 HB3 GLU 21 HB3 GLU 21 -8.315 16.854 11.298 178 HG2 GLU 21 HG2 GLU 21 -9.242 15.087 12.582 179 HG3 GLU 21 HG3 GLU 21 -8.570 15.738 14.076 180 H ALA 22 H ALA 22 -6.894 13.599 12.017 181 HA ALA 22 HA ALA 22 -5.560 13.210 9.555 182 HB1 ALA 22 HB1 ALA 22 -7.340 11.534 11.267 183 HB2 ALA 22 HB2 ALA 22 -6.924 10.988 9.642 184 HB3 ALA 22 HB3 ALA 22 -5.650 11.290 10.823 185 H ASP 23 H ASP 23 -8.570 14.541 10.246 186 HA ASP 23 HA ASP 23 -9.746 13.753 7.686 187 HB2 ASP 23 HB2 ASP 23 -10.794 14.510 10.262 188 HB3 ASP 23 HB3 ASP 23 -11.460 15.555 9.010 189 H GLN 24 H GLN 24 -8.424 16.524 9.365 190 HA GLN 24 HA GLN 24 -9.230 18.410 7.344 191 HB2 GLN 24 HB2 GLN 24 -8.107 20.054 8.642 192 HB3 GLN 24 HB3 GLN 24 -8.888 18.967 9.783 193 HG2 GLN 24 HG2 GLN 24 -6.816 17.891 10.281 194 HG3 GLN 24 HG3 GLN 24 -5.994 18.768 8.992 195 HE21 GLN 24 HE21 GLN 24 -6.247 21.229 9.221 196 HE22 GLN 24 HE22 GLN 24 -5.960 21.862 10.802 197 H VAL 25 H VAL 25 -6.398 16.494 8.080 198 HA VAL 25 HA VAL 25 -4.402 17.721 6.672 199 HB VAL 25 HB VAL 25 -3.660 15.315 6.062 200 HG11 VAL 25 HG11 VAL 25 -4.079 16.121 8.939 201 HG12 VAL 25 HG12 VAL 25 -2.927 14.914 8.364 202 HG13 VAL 25 HG13 VAL 25 -2.734 16.608 7.909 203 HG21 VAL 25 HG21 VAL 25 -5.734 14.558 8.094 204 HG22 VAL 25 HG22 VAL 25 -6.073 14.494 6.364 205 HG23 VAL 25 HG23 VAL 25 -4.777 13.511 7.046 206 H THR 26 H THR 26 -4.680 18.681 4.749 207 HA THR 26 HA THR 26 -5.683 17.020 2.532 208 HB THR 26 HB THR 26 -7.395 18.662 3.040 209 HG1 THR 26 HG1 THR 26 -7.354 19.769 0.965 210 HG21 THR 26 HG21 THR 26 -5.359 20.821 2.510 211 HG22 THR 26 HG22 THR 26 -5.804 20.289 4.131 212 HG23 THR 26 HG23 THR 26 -7.017 21.012 3.076 213 H ASP 27 H ASP 27 -4.907 17.710 0.392 214 HA ASP 27 HA ASP 27 -2.109 18.003 0.349 215 HB2 ASP 27 HB2 ASP 27 -2.306 18.070 -2.054 216 HB3 ASP 27 HB3 ASP 27 -3.466 16.899 -1.432 217 H GLN 28 H GLN 28 -4.596 20.304 0.632 218 HA GLN 28 HA GLN 28 -2.907 22.485 -0.349 219 HB2 GLN 28 HB2 GLN 28 -5.754 22.029 -0.176 220 HB3 GLN 28 HB3 GLN 28 -5.322 23.542 0.610 221 HG2 GLN 28 HG2 GLN 28 -3.902 23.780 -1.656 222 HG3 GLN 28 HG3 GLN 28 -5.241 22.791 -2.234 223 HE21 GLN 28 HE21 GLN 28 -4.200 25.866 -1.869 224 HE22 GLN 28 HE22 GLN 28 -5.716 26.693 -1.837 225 H LEU 29 H LEU 29 -2.751 20.871 2.287 226 HA LEU 29 HA LEU 29 -2.372 23.232 3.988 227 HB2 LEU 29 HB2 LEU 29 -3.910 20.746 4.616 228 HB3 LEU 29 HB3 LEU 29 -3.098 21.632 5.905 229 HG LEU 29 HG LEU 29 -5.247 22.725 4.089 230 HD11 LEU 29 HD11 LEU 29 -6.756 22.060 5.578 231 HD12 LEU 29 HD12 LEU 29 -5.799 22.671 6.927 232 HD13 LEU 29 HD13 LEU 29 -5.495 21.054 6.291 233 HD21 LEU 29 HD21 LEU 29 -3.350 23.979 5.937 234 HD22 LEU 29 HD22 LEU 29 -5.035 24.419 6.212 235 HD23 LEU 29 HD23 LEU 29 -4.302 24.685 4.630 236 H ASN 30 H ASN 30 -0.152 22.866 3.211 237 HA ASN 30 HA ASN 30 1.346 20.574 3.701 238 HB2 ASN 30 HB2 ASN 30 2.334 22.222 2.328 239 HB3 ASN 30 HB3 ASN 30 2.101 23.485 3.532 240 HD21 ASN 30 HD21 ASN 30 3.406 20.231 3.933 241 HD22 ASN 30 HD22 ASN 30 4.968 20.732 4.474 242 H ILE 31 H ILE 31 2.027 19.614 5.496 243 HA ILE 31 HA ILE 31 1.375 20.612 8.067 244 HB ILE 31 HB ILE 31 3.187 18.336 7.262 245 HG12 ILE 31 HG12 ILE 31 0.940 17.301 8.476 246 HG13 ILE 31 HG13 ILE 31 0.291 18.664 7.571 247 HG21 ILE 31 HG21 ILE 31 2.946 17.571 9.592 248 HG22 ILE 31 HG22 ILE 31 3.798 19.109 9.470 249 HG23 ILE 31 HG23 ILE 31 2.110 19.075 9.979 250 HD11 ILE 31 HD11 ILE 31 0.862 17.753 5.539 251 HD12 ILE 31 HD12 ILE 31 2.125 16.734 6.230 252 HD13 ILE 31 HD13 ILE 31 0.427 16.322 6.474 253 H LYS 32 H LYS 32 4.408 20.403 6.254 254 HA LYS 32 HA LYS 32 6.234 21.144 8.165 255 HB2 LYS 32 HB2 LYS 32 6.763 20.534 5.809 256 HB3 LYS 32 HB3 LYS 32 6.204 22.123 5.304 257 HG2 LYS 32 HG2 LYS 32 7.982 22.923 7.085 258 HG3 LYS 32 HG3 LYS 32 8.688 21.345 6.729 259 HD2 LYS 32 HD2 LYS 32 8.706 21.907 4.338 260 HD3 LYS 32 HD3 LYS 32 8.026 23.493 4.713 261 HE2 LYS 32 HE2 LYS 32 10.647 22.467 5.793 262 HE3 LYS 32 HE3 LYS 32 10.496 23.488 4.364 263 HZ1 LYS 32 HZ1 LYS 32 9.190 25.010 5.994 264 HZ2 LYS 32 HZ2 LYS 32 10.881 25.029 5.993 265 HZ3 LYS 32 HZ3 LYS 32 10.046 24.167 7.186 266 H ASP 33 H ASP 33 4.162 23.269 6.225 267 HA ASP 33 HA ASP 33 5.140 25.622 7.618 268 HB2 ASP 33 HB2 ASP 33 4.494 25.481 5.118 269 HB3 ASP 33 HB3 ASP 33 2.831 25.583 5.691 270 H ASP 34 H ASP 34 1.930 24.162 7.068 271 HA ASP 34 HA ASP 34 0.429 25.665 8.790 272 HB2 ASP 34 HB2 ASP 34 -0.407 23.841 7.279 273 HB3 ASP 34 HB3 ASP 34 0.136 22.672 8.480 274 H LEU 35 H LEU 35 2.006 22.582 9.655 275 HA LEU 35 HA LEU 35 1.530 23.009 12.459 276 HB2 LEU 35 HB2 LEU 35 2.466 20.861 10.751 277 HB3 LEU 35 HB3 LEU 35 3.425 20.996 12.224 278 HG LEU 35 HG LEU 35 1.538 19.370 12.351 279 HD11 LEU 35 HD11 LEU 35 2.577 20.631 14.310 280 HD12 LEU 35 HD12 LEU 35 0.998 19.891 14.568 281 HD13 LEU 35 HD13 LEU 35 1.122 21.627 14.284 282 HD21 LEU 35 HD21 LEU 35 -0.071 20.624 10.997 283 HD22 LEU 35 HD22 LEU 35 -0.161 21.861 12.251 284 HD23 LEU 35 HD23 LEU 35 -0.729 20.224 12.584 285 H ASN 36 H ASN 36 3.980 23.847 10.222 286 HA ASN 36 HA ASN 36 5.919 25.019 10.441 287 HB2 ASN 36 HB2 ASN 36 4.352 26.003 12.434 288 HB3 ASN 36 HB3 ASN 36 5.722 25.401 13.363 289 HD21 ASN 36 HD21 ASN 36 5.216 28.038 13.390 290 HD22 ASN 36 HD22 ASN 36 6.407 28.897 12.479 291 H ALA 37 H ALA 37 5.730 22.112 10.941 292 HA ALA 37 HA ALA 37 7.282 21.141 12.981 293 HB1 ALA 37 HB1 ALA 37 6.083 19.934 11.007 294 HB2 ALA 37 HB2 ALA 37 7.668 20.030 10.237 295 HB3 ALA 37 HB3 ALA 37 7.484 19.188 11.776 296 H ASP 38 H ASP 38 9.450 20.850 13.375 297 HA ASP 38 HA ASP 38 11.227 22.813 12.404 298 HB2 ASP 38 HB2 ASP 38 11.199 20.999 14.515 299 HB3 ASP 38 HB3 ASP 38 12.568 20.490 13.530 300 H SER 39 H SER 39 13.533 22.013 11.655 301 HA SER 39 HA SER 39 13.107 20.809 9.069 302 HB2 SER 39 HB2 SER 39 15.882 21.330 9.922 303 HB3 SER 39 HB3 SER 39 15.036 21.836 8.460 304 HG SER 39 HG SER 39 15.622 23.332 10.500 305 H ILE 40 H ILE 40 15.085 20.061 11.931 306 HA ILE 40 HA ILE 40 16.293 17.739 11.082 307 HB ILE 40 HB ILE 40 15.223 18.297 13.852 308 HG12 ILE 40 HG12 ILE 40 16.732 20.052 13.079 309 HG13 ILE 40 HG13 ILE 40 17.521 19.079 14.315 310 HG21 ILE 40 HG21 ILE 40 16.914 16.700 14.612 311 HG22 ILE 40 HG22 ILE 40 15.746 15.940 13.533 312 HG23 ILE 40 HG23 ILE 40 17.350 16.365 12.936 313 HD11 ILE 40 HD11 ILE 40 18.746 17.876 12.585 314 HD12 ILE 40 HD12 ILE 40 17.952 18.849 11.347 315 HD13 ILE 40 HD13 ILE 40 19.042 19.613 12.503 316 H SER 41 H SER 41 13.082 18.101 12.550 317 HA SER 41 HA SER 41 12.353 15.459 12.804 318 HB2 SER 41 HB2 SER 41 10.368 17.460 11.770 319 HB3 SER 41 HB3 SER 41 10.143 16.192 12.974 320 HG SER 41 HG SER 41 10.645 17.595 14.438 321 H VAL 42 H VAL 42 12.410 17.454 9.913 322 HA VAL 42 HA VAL 42 10.954 15.850 8.171 323 HB VAL 42 HB VAL 42 13.409 17.465 7.469 324 HG11 VAL 42 HG11 VAL 42 13.042 16.524 5.466 325 HG12 VAL 42 HG12 VAL 42 11.418 15.990 5.904 326 HG13 VAL 42 HG13 VAL 42 11.688 17.648 5.366 327 HG21 VAL 42 HG21 VAL 42 10.532 18.257 7.836 328 HG22 VAL 42 HG22 VAL 42 11.965 18.949 8.597 329 HG23 VAL 42 HG23 VAL 42 11.663 19.215 6.880 330 H MET 43 H MET 43 14.331 15.628 9.170 331 HA MET 43 HA MET 43 15.154 13.677 7.325 332 HB2 MET 43 HB2 MET 43 16.341 15.103 9.379 333 HB3 MET 43 HB3 MET 43 16.415 13.440 9.946 334 HG2 MET 43 HG2 MET 43 18.231 13.187 8.711 335 HG3 MET 43 HG3 MET 43 17.202 13.311 7.286 336 HE1 MET 43 HE1 MET 43 17.002 15.555 5.775 337 HE2 MET 43 HE2 MET 43 18.635 16.157 5.488 338 HE3 MET 43 HE3 MET 43 18.327 14.420 5.513 339 H GLU 44 H GLU 44 13.248 13.472 10.203 340 HA GLU 44 HA GLU 44 13.592 10.606 10.477 341 HB2 GLU 44 HB2 GLU 44 11.708 12.485 11.913 342 HB3 GLU 44 HB3 GLU 44 12.014 10.807 12.342 343 HG2 GLU 44 HG2 GLU 44 14.502 12.181 12.216 344 HG3 GLU 44 HG3 GLU 44 13.382 13.118 13.204 345 H PHE 45 H PHE 45 10.902 12.823 9.741 346 HA PHE 45 HA PHE 45 8.980 10.883 9.175 347 HB2 PHE 45 HB2 PHE 45 9.234 13.616 7.904 348 HB3 PHE 45 HB3 PHE 45 7.771 12.641 7.997 349 HD1 PHE 45 HD1 PHE 45 7.510 11.761 10.646 350 HD2 PHE 45 HD2 PHE 45 9.119 15.450 9.262 351 HE1 PHE 45 HE1 PHE 45 6.947 12.811 12.800 352 HE2 PHE 45 HE2 PHE 45 8.560 16.505 11.413 353 HZ PHE 45 HZ PHE 45 7.473 15.185 13.186 354 H VAL 46 H VAL 46 11.336 12.451 7.046 355 HA VAL 46 HA VAL 46 10.454 11.262 4.643 356 HB VAL 46 HB VAL 46 11.985 13.246 4.814 357 HG11 VAL 46 HG11 VAL 46 13.478 11.979 6.505 358 HG12 VAL 46 HG12 VAL 46 14.246 11.302 5.068 359 HG13 VAL 46 HG13 VAL 46 14.238 13.047 5.326 360 HG21 VAL 46 HG21 VAL 46 11.608 11.736 2.763 361 HG22 VAL 46 HG22 VAL 46 12.981 12.843 2.745 362 HG23 VAL 46 HG23 VAL 46 13.232 11.132 3.093 363 H LEU 47 H LEU 47 12.282 10.046 7.289 364 HA LEU 47 HA LEU 47 13.537 7.911 5.812 365 HB2 LEU 47 HB2 LEU 47 14.360 9.072 7.969 366 HB3 LEU 47 HB3 LEU 47 13.237 7.990 8.791 367 HG LEU 47 HG LEU 47 15.224 6.790 6.931 368 HD11 LEU 47 HD11 LEU 47 16.037 8.546 8.968 369 HD12 LEU 47 HD12 LEU 47 17.033 7.423 8.042 370 HD13 LEU 47 HD13 LEU 47 16.319 6.913 9.571 371 HD21 LEU 47 HD21 LEU 47 14.017 5.098 7.820 372 HD22 LEU 47 HD22 LEU 47 13.586 6.015 9.264 373 HD23 LEU 47 HD23 LEU 47 15.178 5.266 9.137 374 H GLU 48 H GLU 48 10.992 8.105 8.299 375 HA GLU 48 HA GLU 48 10.288 5.411 8.318 376 HB2 GLU 48 HB2 GLU 48 8.026 6.274 9.106 377 HB3 GLU 48 HB3 GLU 48 9.426 6.758 10.052 378 HG2 GLU 48 HG2 GLU 48 9.421 8.937 9.066 379 HG3 GLU 48 HG3 GLU 48 8.157 8.469 7.930 380 H LEU 49 H LEU 49 9.130 8.051 6.271 381 HA LEU 49 HA LEU 49 7.129 6.558 4.940 382 HB2 LEU 49 HB2 LEU 49 8.646 8.967 3.952 383 HB3 LEU 49 HB3 LEU 49 7.117 8.365 3.316 384 HG LEU 49 HG LEU 49 7.291 9.201 6.179 385 HD11 LEU 49 HD11 LEU 49 8.259 10.953 4.491 386 HD12 LEU 49 HD12 LEU 49 7.129 11.447 5.752 387 HD13 LEU 49 HD13 LEU 49 6.557 11.205 4.101 388 HD21 LEU 49 HD21 LEU 49 5.088 9.410 4.132 389 HD22 LEU 49 HD22 LEU 49 4.958 9.687 5.869 390 HD23 LEU 49 HD23 LEU 49 5.286 8.066 5.256 391 H GLU 50 H GLU 50 10.347 7.604 3.800 392 HA GLU 50 HA GLU 50 10.337 6.118 1.432 393 HB2 GLU 50 HB2 GLU 50 12.549 6.740 1.182 394 HB3 GLU 50 HB3 GLU 50 11.960 7.977 2.284 395 HG2 GLU 50 HG2 GLU 50 13.800 7.450 3.446 396 HG3 GLU 50 HG3 GLU 50 12.796 6.135 4.054 397 H ASP 51 H ASP 51 10.784 5.134 4.690 398 HA ASP 51 HA ASP 51 12.148 2.668 4.025 399 HB2 ASP 51 HB2 ASP 51 12.626 3.825 6.149 400 HB3 ASP 51 HB3 ASP 51 10.952 3.590 6.647 401 H GLU 52 H GLU 52 9.075 3.369 5.703 402 HA GLU 52 HA GLU 52 7.990 0.838 5.594 403 HB2 GLU 52 HB2 GLU 52 6.689 3.553 5.555 404 HB3 GLU 52 HB3 GLU 52 5.741 2.073 5.590 405 HG2 GLU 52 HG2 GLU 52 6.745 1.432 7.688 406 HG3 GLU 52 HG3 GLU 52 7.806 2.839 7.641 407 H PHE 53 H PHE 53 7.384 3.484 3.279 408 HA PHE 53 HA PHE 53 5.909 1.896 1.468 409 HB2 PHE 53 HB2 PHE 53 7.468 4.397 0.800 410 HB3 PHE 53 HB3 PHE 53 6.064 3.755 -0.047 411 HD1 PHE 53 HD1 PHE 53 4.363 3.085 2.327 412 HD2 PHE 53 HD2 PHE 53 6.706 6.520 1.415 413 HE1 PHE 53 HE1 PHE 53 2.886 4.461 3.733 414 HE2 PHE 53 HE2 PHE 53 5.233 7.902 2.821 415 HZ PHE 53 HZ PHE 53 3.319 6.873 3.981 416 H GLY 54 H GLY 54 9.313 2.413 1.933 417 HA2 GLY 54 HA2 GLY 54 11.111 1.277 1.044 418 HA3 GLY 54 HA3 GLY 54 9.972 0.240 0.199 419 H THR 55 H THR 55 10.844 3.697 0.068 420 HA THR 55 HA THR 55 11.468 3.364 -2.778 421 HB THR 55 HB THR 55 9.132 4.193 -2.611 422 HG1 THR 55 HG1 THR 55 9.538 6.054 -3.990 423 HG21 THR 55 HG21 THR 55 10.227 5.840 -0.592 424 HG22 THR 55 HG22 THR 55 8.558 5.779 -1.157 425 HG23 THR 55 HG23 THR 55 9.698 6.903 -1.895 426 H GLU 56 H GLU 56 12.663 5.226 -3.676 427 HA GLU 56 HA GLU 56 14.519 6.270 -1.671 428 HB2 GLU 56 HB2 GLU 56 15.917 6.861 -3.666 429 HB3 GLU 56 HB3 GLU 56 15.601 5.142 -3.481 430 HG2 GLU 56 HG2 GLU 56 13.551 6.265 -5.098 431 HG3 GLU 56 HG3 GLU 56 15.114 6.792 -5.719 432 H ILE 57 H ILE 57 14.246 8.257 -0.930 433 HA ILE 57 HA ILE 57 12.788 10.202 -2.586 434 HB ILE 57 HB ILE 57 13.303 10.298 0.389 435 HG12 ILE 57 HG12 ILE 57 10.806 9.537 -1.143 436 HG13 ILE 57 HG13 ILE 57 11.813 8.444 -0.200 437 HG21 ILE 57 HG21 ILE 57 11.098 11.875 -0.610 438 HG22 ILE 57 HG22 ILE 57 12.472 12.361 0.382 439 HG23 ILE 57 HG23 ILE 57 12.620 12.334 -1.375 440 HD11 ILE 57 HD11 ILE 57 10.089 10.685 0.807 441 HD12 ILE 57 HD12 ILE 57 9.913 8.956 1.108 442 HD13 ILE 57 HD13 ILE 57 11.269 9.840 1.808 443 H SER 58 H SER 58 13.957 11.704 -3.562 444 HA SER 58 HA SER 58 16.691 12.074 -3.277 445 HB2 SER 58 HB2 SER 58 14.518 13.382 -4.699 446 HB3 SER 58 HB3 SER 58 15.743 14.537 -4.175 447 HG SER 58 HG SER 58 15.853 12.735 -6.170 448 H ASP 59 H ASP 59 17.829 14.058 -2.566 449 HA ASP 59 HA ASP 59 17.061 14.697 0.140 450 HB2 ASP 59 HB2 ASP 59 19.482 14.524 -1.248 451 HB3 ASP 59 HB3 ASP 59 19.301 16.235 -0.871 452 H GLU 60 H GLU 60 16.961 16.223 -2.981 453 HA GLU 60 HA GLU 60 16.485 18.868 -1.926 454 HB2 GLU 60 HB2 GLU 60 15.978 17.987 -4.760 455 HB3 GLU 60 HB3 GLU 60 16.380 19.595 -4.172 456 HG2 GLU 60 HG2 GLU 60 18.239 17.229 -4.137 457 HG3 GLU 60 HG3 GLU 60 18.242 18.509 -5.349 458 H ASP 61 H ASP 61 14.540 16.681 -3.971 459 HA ASP 61 HA ASP 61 12.130 18.025 -3.765 460 HB2 ASP 61 HB2 ASP 61 12.863 15.169 -4.277 461 HB3 ASP 61 HB3 ASP 61 11.168 15.589 -4.048 462 H ALA 62 H ALA 62 13.679 15.879 -1.492 463 HA ALA 62 HA ALA 62 11.517 15.215 0.139 464 HB1 ALA 62 HB1 ALA 62 13.514 14.058 0.530 465 HB2 ALA 62 HB2 ALA 62 14.446 15.545 0.707 466 HB3 ALA 62 HB3 ALA 62 13.302 15.068 1.961 467 H GLU 63 H GLU 63 13.023 18.237 -0.367 468 HA GLU 63 HA GLU 63 12.198 19.362 2.176 469 HB2 GLU 63 HB2 GLU 63 14.312 20.013 0.902 470 HB3 GLU 63 HB3 GLU 63 13.254 20.878 -0.205 471 HG2 GLU 63 HG2 GLU 63 12.414 22.210 1.696 472 HG3 GLU 63 HG3 GLU 63 13.571 21.390 2.743 473 H LYS 64 H LYS 64 10.963 19.012 -1.013 474 HA LYS 64 HA LYS 64 8.948 21.095 -0.603 475 HB2 LYS 64 HB2 LYS 64 9.239 19.366 -3.051 476 HB3 LYS 64 HB3 LYS 64 8.464 20.939 -2.914 477 HG2 LYS 64 HG2 LYS 64 10.800 21.818 -2.324 478 HG3 LYS 64 HG3 LYS 64 11.385 20.284 -2.971 479 HD2 LYS 64 HD2 LYS 64 9.528 22.063 -4.526 480 HD3 LYS 64 HD3 LYS 64 11.280 22.273 -4.572 481 HE2 LYS 64 HE2 LYS 64 11.582 20.060 -5.440 482 HE3 LYS 64 HE3 LYS 64 9.875 19.683 -5.209 483 HZ1 LYS 64 HZ1 LYS 64 9.518 20.407 -7.255 484 HZ2 LYS 64 HZ2 LYS 64 11.130 20.889 -7.427 485 HZ3 LYS 64 HZ3 LYS 64 9.991 21.963 -6.786 486 H ILE 65 H ILE 65 9.215 17.616 -1.222 487 HA ILE 65 HA ILE 65 6.398 17.153 -1.089 488 HB ILE 65 HB ILE 65 7.041 14.744 -0.936 489 HG12 ILE 65 HG12 ILE 65 9.832 15.200 -1.632 490 HG13 ILE 65 HG13 ILE 65 9.455 15.765 -0.008 491 HG21 ILE 65 HG21 ILE 65 8.463 16.220 -3.144 492 HG22 ILE 65 HG22 ILE 65 7.812 14.583 -3.198 493 HG23 ILE 65 HG23 ILE 65 6.719 15.962 -3.085 494 HD11 ILE 65 HD11 ILE 65 9.545 13.028 -1.093 495 HD12 ILE 65 HD12 ILE 65 9.965 13.635 0.509 496 HD13 ILE 65 HD13 ILE 65 8.275 13.371 0.081 497 H GLU 66 H GLU 66 6.476 18.540 1.031 498 HA GLU 66 HA GLU 66 6.674 16.672 3.303 499 HB2 GLU 66 HB2 GLU 66 6.999 19.677 3.372 500 HB3 GLU 66 HB3 GLU 66 7.140 18.586 4.743 501 HG2 GLU 66 HG2 GLU 66 9.031 17.472 3.463 502 HG3 GLU 66 HG3 GLU 66 8.985 18.877 2.399 503 H THR 67 H THR 67 4.446 17.544 1.372 504 HA THR 67 HA THR 67 2.501 18.373 3.426 505 HB THR 67 HB THR 67 1.386 19.673 1.935 506 HG1 THR 67 HG1 THR 67 0.826 18.970 -0.013 507 HG21 THR 67 HG21 THR 67 3.955 20.172 1.856 508 HG22 THR 67 HG22 THR 67 2.860 20.989 0.740 509 HG23 THR 67 HG23 THR 67 3.812 19.610 0.191 510 H VAL 68 H VAL 68 0.296 17.514 3.141 511 HA VAL 68 HA VAL 68 0.165 14.774 3.188 512 HB VAL 68 HB VAL 68 -2.069 16.595 2.281 513 HG11 VAL 68 HG11 VAL 68 -2.202 13.903 3.632 514 HG12 VAL 68 HG12 VAL 68 -3.560 14.874 3.060 515 HG13 VAL 68 HG13 VAL 68 -2.429 14.169 1.904 516 HG21 VAL 68 HG21 VAL 68 -1.165 15.796 5.042 517 HG22 VAL 68 HG22 VAL 68 -1.220 17.422 4.360 518 HG23 VAL 68 HG23 VAL 68 -2.719 16.555 4.693 519 H GLY 69 H GLY 69 -0.570 16.885 0.414 520 HA2 GLY 69 HA2 GLY 69 -0.947 14.619 -1.340 521 HA3 GLY 69 HA3 GLY 69 -1.006 16.316 -1.795 522 H ALA 70 H ALA 70 1.510 17.136 -0.900 523 HA ALA 70 HA ALA 70 3.129 16.464 -3.083 524 HB1 ALA 70 HB1 ALA 70 3.202 18.472 -1.383 525 HB2 ALA 70 HB2 ALA 70 4.387 17.448 -0.572 526 HB3 ALA 70 HB3 ALA 70 4.652 17.950 -2.241 527 H ALA 71 H ALA 71 2.553 14.792 -0.168 528 HA ALA 71 HA ALA 71 5.067 13.341 -0.199 529 HB1 ALA 71 HB1 ALA 71 4.379 13.658 1.977 530 HB2 ALA 71 HB2 ALA 71 2.679 13.383 1.594 531 HB3 ALA 71 HB3 ALA 71 3.800 12.023 1.657 532 H VAL 72 H VAL 72 1.661 12.268 -0.183 533 HA VAL 72 HA VAL 72 2.128 9.686 -1.099 534 HB VAL 72 HB VAL 72 -0.011 10.285 -0.154 535 HG11 VAL 72 HG11 VAL 72 0.013 12.610 -1.169 536 HG12 VAL 72 HG12 VAL 72 -0.637 11.869 -2.632 537 HG13 VAL 72 HG13 VAL 72 -1.546 11.788 -1.123 538 HG21 VAL 72 HG21 VAL 72 -1.435 9.086 -1.607 539 HG22 VAL 72 HG22 VAL 72 -0.529 9.588 -3.035 540 HG23 VAL 72 HG23 VAL 72 0.185 8.450 -1.892 541 H ASP 73 H ASP 73 1.504 12.651 -2.921 542 HA ASP 73 HA ASP 73 1.267 11.506 -5.468 543 HB2 ASP 73 HB2 ASP 73 0.623 13.811 -5.055 544 HB3 ASP 73 HB3 ASP 73 2.286 14.236 -4.660 545 H TYR 74 H TYR 74 4.024 12.063 -3.467 546 HA TYR 74 HA TYR 74 5.907 11.774 -5.663 547 HB2 TYR 74 HB2 TYR 74 6.368 13.354 -3.807 548 HB3 TYR 74 HB3 TYR 74 6.430 11.994 -2.691 549 HD1 TYR 74 HD2 TYR 74 7.985 13.081 -5.915 550 HD2 TYR 74 HD1 TYR 74 8.506 11.142 -2.164 551 HE1 TYR 74 HE2 TYR 74 10.379 12.799 -6.400 552 HE2 TYR 74 HE1 TYR 74 10.903 10.855 -2.638 553 HH TYR 74 HH TYR 74 12.453 12.428 -5.277 554 H ILE 75 H ILE 75 5.188 10.063 -2.619 555 HA ILE 75 HA ILE 75 6.853 7.866 -3.043 556 HB ILE 75 HB ILE 75 4.211 7.822 -1.583 557 HG12 ILE 75 HG12 ILE 75 5.559 9.666 -0.754 558 HG13 ILE 75 HG13 ILE 75 5.556 8.364 0.430 559 HG21 ILE 75 HG21 ILE 75 6.467 6.239 -0.591 560 HG22 ILE 75 HG22 ILE 75 4.769 5.804 -0.781 561 HG23 ILE 75 HG23 ILE 75 5.857 5.735 -2.167 562 HD11 ILE 75 HD11 ILE 75 7.763 9.626 -0.877 563 HD12 ILE 75 HD12 ILE 75 7.761 8.465 0.450 564 HD13 ILE 75 HD13 ILE 75 7.767 7.897 -1.219 565 H VAL 76 H VAL 76 3.459 8.360 -3.943 566 HA VAL 76 HA VAL 76 3.070 5.770 -5.029 567 HB VAL 76 HB VAL 76 1.589 8.340 -5.602 568 HG11 VAL 76 HG11 VAL 76 -0.239 6.785 -6.330 569 HG12 VAL 76 HG12 VAL 76 1.164 6.834 -7.400 570 HG13 VAL 76 HG13 VAL 76 0.946 5.480 -6.290 571 HG21 VAL 76 HG21 VAL 76 1.609 7.517 -3.228 572 HG22 VAL 76 HG22 VAL 76 0.011 7.644 -3.963 573 HG23 VAL 76 HG23 VAL 76 0.782 6.067 -3.799 574 H SER 77 H SER 77 3.383 8.910 -6.701 575 HA SER 77 HA SER 77 3.577 7.964 -9.285 576 HB2 SER 77 HB2 SER 77 3.372 10.360 -8.669 577 HB3 SER 77 HB3 SER 77 5.056 10.349 -8.147 578 HG SER 77 HG SER 77 4.678 11.113 -10.337 579 H ASN 78 H ASN 78 5.988 7.997 -6.769 580 HA ASN 78 HA ASN 78 8.164 7.352 -8.558 581 HB2 ASN 78 HB2 ASN 78 8.412 8.692 -6.421 582 HB3 ASN 78 HB3 ASN 78 8.163 7.186 -5.542 583 HD21 ASN 78 HD21 ASN 78 10.396 8.252 -4.912 584 HD22 ASN 78 HD22 ASN 78 11.754 7.548 -5.716 585 H SER 79 H SER 79 6.010 5.670 -6.358 586 HA SER 79 HA SER 79 5.576 3.462 -6.024 587 HB2 SER 79 HB2 SER 79 7.136 2.547 -8.371 588 HB3 SER 79 HB3 SER 79 5.481 2.165 -7.896 589 HG SER 79 HG SER 79 6.102 3.711 -9.812 Start of MODEL 14 1 H1 MET 1 H MET 1 2.157 0.907 1.278 2 HA MET 1 HA MET 1 3.228 -0.030 -0.537 3 HB2 MET 1 HB2 MET 1 0.755 -1.746 -0.823 4 HB3 MET 1 HB3 MET 1 2.240 -1.925 -1.749 5 HG2 MET 1 HG2 MET 1 3.429 -2.731 0.070 6 HG3 MET 1 HG3 MET 1 2.281 -2.076 1.235 7 HE1 MET 1 HE1 MET 1 0.510 -4.026 2.470 8 HE2 MET 1 HE2 MET 1 -0.040 -2.727 1.412 9 HE3 MET 1 HE3 MET 1 -0.670 -4.361 1.202 10 H THR 2 H THR 2 -0.281 0.212 -1.141 11 HA THR 2 HA THR 2 0.187 1.460 -3.709 12 HB THR 2 HB THR 2 -1.690 -0.136 -3.371 13 HG1 THR 2 HG1 THR 2 -2.281 1.020 -5.053 14 HG21 THR 2 HG21 THR 2 -2.167 1.189 -1.052 15 HG22 THR 2 HG22 THR 2 -3.346 0.159 -1.865 16 HG23 THR 2 HG23 THR 2 -3.388 1.906 -2.102 17 H ARG 3 H ARG 3 -1.259 3.439 -4.212 18 HA ARG 3 HA ARG 3 -0.290 5.633 -2.792 19 HB2 ARG 3 HB2 ARG 3 -1.972 6.952 -4.043 20 HB3 ARG 3 HB3 ARG 3 -1.065 5.854 -5.074 21 HG2 ARG 3 HG2 ARG 3 -3.095 4.256 -4.619 22 HG3 ARG 3 HG3 ARG 3 -3.925 5.773 -4.266 23 HD2 ARG 3 HD2 ARG 3 -3.746 6.531 -6.426 24 HD3 ARG 3 HD3 ARG 3 -2.302 5.573 -6.755 25 HE ARG 3 HE ARG 3 -4.658 3.986 -6.337 26 HH11 ARG 3 HH11 ARG 3 -2.805 5.786 -8.670 27 HH12 ARG 3 HH12 ARG 3 -3.418 4.906 -10.030 28 HH21 ARG 3 HH21 ARG 3 -5.472 2.819 -8.120 29 HH22 ARG 3 HH22 ARG 3 -4.936 3.219 -9.716 30 H GLU 4 H GLU 4 -3.287 3.824 -2.448 31 HA GLU 4 HA GLU 4 -4.607 5.604 -0.709 32 HB2 GLU 4 HB2 GLU 4 -5.054 2.985 -1.780 33 HB3 GLU 4 HB3 GLU 4 -5.370 2.955 -0.051 34 HG2 GLU 4 HG2 GLU 4 -6.950 4.772 -0.274 35 HG3 GLU 4 HG3 GLU 4 -6.590 4.902 -1.995 36 H GLU 5 H GLU 5 -3.007 2.519 0.109 37 HA GLU 5 HA GLU 5 -3.065 2.745 2.850 38 HB2 GLU 5 HB2 GLU 5 -2.128 0.875 1.215 39 HB3 GLU 5 HB3 GLU 5 -0.592 1.639 1.602 40 HG2 GLU 5 HG2 GLU 5 -0.992 -0.232 3.070 41 HG3 GLU 5 HG3 GLU 5 -1.015 1.274 3.984 42 H VAL 6 H VAL 6 -0.625 4.013 0.614 43 HA VAL 6 HA VAL 6 1.150 5.022 2.542 44 HB VAL 6 HB VAL 6 0.629 6.014 -0.264 45 HG11 VAL 6 HG11 VAL 6 2.248 7.103 1.826 46 HG12 VAL 6 HG12 VAL 6 3.286 6.507 0.529 47 HG13 VAL 6 HG13 VAL 6 2.021 7.685 0.177 48 HG21 VAL 6 HG21 VAL 6 2.096 4.460 -1.037 49 HG22 VAL 6 HG22 VAL 6 3.030 4.433 0.459 50 HG23 VAL 6 HG23 VAL 6 1.493 3.573 0.363 51 H LEU 7 H LEU 7 -1.343 6.746 0.658 52 HA LEU 7 HA LEU 7 -1.089 9.234 1.844 53 HB2 LEU 7 HB2 LEU 7 -2.434 9.108 -0.061 54 HB3 LEU 7 HB3 LEU 7 -3.413 7.803 0.607 55 HG LEU 7 HG LEU 7 -4.431 9.406 2.180 56 HD11 LEU 7 HD11 LEU 7 -2.618 11.003 2.353 57 HD12 LEU 7 HD12 LEU 7 -4.090 11.810 1.815 58 HD13 LEU 7 HD13 LEU 7 -2.813 11.443 0.656 59 HD21 LEU 7 HD21 LEU 7 -4.611 10.247 -0.712 60 HD22 LEU 7 HD22 LEU 7 -5.807 10.564 0.546 61 HD23 LEU 7 HD23 LEU 7 -5.493 8.908 0.025 62 H GLN 8 H GLN 8 -3.134 6.507 2.837 63 HA GLN 8 HA GLN 8 -4.405 7.767 4.990 64 HB2 GLN 8 HB2 GLN 8 -3.839 4.917 4.273 65 HB3 GLN 8 HB3 GLN 8 -4.493 5.290 5.863 66 HG2 GLN 8 HG2 GLN 8 -6.444 6.277 4.908 67 HG3 GLN 8 HG3 GLN 8 -5.766 6.167 3.284 68 HE21 GLN 8 HE21 GLN 8 -8.199 5.017 4.689 69 HE22 GLN 8 HE22 GLN 8 -8.156 3.338 4.286 70 H LYS 9 H LYS 9 -1.667 5.480 5.123 71 HA LYS 9 HA LYS 9 -1.043 5.642 7.775 72 HB2 LYS 9 HB2 LYS 9 0.356 4.908 5.347 73 HB3 LYS 9 HB3 LYS 9 1.451 5.649 6.506 74 HG2 LYS 9 HG2 LYS 9 1.385 3.220 6.736 75 HG3 LYS 9 HG3 LYS 9 0.805 4.031 8.192 76 HD2 LYS 9 HD2 LYS 9 -1.332 3.482 6.299 77 HD3 LYS 9 HD3 LYS 9 -0.491 2.016 6.809 78 HE2 LYS 9 HE2 LYS 9 -1.037 3.833 9.016 79 HE3 LYS 9 HE3 LYS 9 -2.502 3.311 8.187 80 HZ1 LYS 9 HZ1 LYS 9 -2.301 1.253 8.987 81 HZ2 LYS 9 HZ2 LYS 9 -1.215 1.911 10.104 82 HZ3 LYS 9 HZ3 LYS 9 -0.637 1.179 8.693 83 H VAL 10 H VAL 10 0.493 7.663 5.263 84 HA VAL 10 HA VAL 10 1.931 9.346 6.898 85 HB VAL 10 HB VAL 10 0.550 10.020 4.298 86 HG11 VAL 10 HG11 VAL 10 1.045 12.069 5.473 87 HG12 VAL 10 HG12 VAL 10 2.692 11.523 5.799 88 HG13 VAL 10 HG13 VAL 10 2.187 11.868 4.145 89 HG21 VAL 10 HG21 VAL 10 2.955 8.544 5.003 90 HG22 VAL 10 HG22 VAL 10 2.080 8.616 3.473 91 HG23 VAL 10 HG23 VAL 10 3.269 9.857 3.868 92 H ALA 11 H ALA 11 -1.437 9.706 5.836 93 HA ALA 11 HA ALA 11 -1.940 12.189 7.034 94 HB1 ALA 11 HB1 ALA 11 -3.415 11.170 5.364 95 HB2 ALA 11 HB2 ALA 11 -3.889 9.941 6.537 96 HB3 ALA 11 HB3 ALA 11 -4.299 11.633 6.818 97 H LYS 12 H LYS 12 -2.199 8.900 8.299 98 HA LYS 12 HA LYS 12 -3.354 9.677 10.790 99 HB2 LYS 12 HB2 LYS 12 -3.142 7.317 9.506 100 HB3 LYS 12 HB3 LYS 12 -1.805 7.155 10.637 101 HG2 LYS 12 HG2 LYS 12 -3.446 7.751 12.463 102 HG3 LYS 12 HG3 LYS 12 -4.717 7.545 11.256 103 HD2 LYS 12 HD2 LYS 12 -4.571 5.472 12.361 104 HD3 LYS 12 HD3 LYS 12 -3.723 5.241 10.830 105 HE2 LYS 12 HE2 LYS 12 -1.602 5.401 11.886 106 HE3 LYS 12 HE3 LYS 12 -2.320 5.977 13.390 107 HZ1 LYS 12 HZ1 LYS 12 -3.508 3.741 13.415 108 HZ2 LYS 12 HZ2 LYS 12 -1.857 3.747 13.782 109 HZ3 LYS 12 HZ3 LYS 12 -2.380 3.253 12.251 110 H ILE 13 H ILE 13 -0.116 8.384 10.021 111 HA ILE 13 HA ILE 13 1.104 8.749 12.445 112 HB ILE 13 HB ILE 13 2.368 9.216 9.741 113 HG12 ILE 13 HG12 ILE 13 2.862 6.690 11.155 114 HG13 ILE 13 HG13 ILE 13 1.185 6.916 10.669 115 HG21 ILE 13 HG21 ILE 13 4.436 8.425 11.031 116 HG22 ILE 13 HG22 ILE 13 3.882 10.078 11.295 117 HG23 ILE 13 HG23 ILE 13 3.519 8.826 12.483 118 HD11 ILE 13 HD11 ILE 13 2.213 7.517 8.364 119 HD12 ILE 13 HD12 ILE 13 3.627 6.662 8.982 120 HD13 ILE 13 HD13 ILE 13 2.077 5.829 8.855 121 H ILE 14 H ILE 14 0.518 11.161 9.943 122 HA ILE 14 HA ILE 14 1.984 13.226 11.305 123 HB ILE 14 HB ILE 14 0.087 13.319 8.961 124 HG12 ILE 14 HG12 ILE 14 3.085 13.690 9.133 125 HG13 ILE 14 HG13 ILE 14 2.280 12.221 8.594 126 HG21 ILE 14 HG21 ILE 14 1.092 15.462 10.636 127 HG22 ILE 14 HG22 ILE 14 1.561 15.659 8.948 128 HG23 ILE 14 HG23 ILE 14 -0.142 15.496 9.377 129 HD11 ILE 14 HD11 ILE 14 2.393 14.892 7.246 130 HD12 ILE 14 HD12 ILE 14 2.913 13.320 6.638 131 HD13 ILE 14 HD13 ILE 14 1.194 13.675 6.811 132 H SER 15 H SER 15 -1.403 12.296 10.964 133 HA SER 15 HA SER 15 -2.497 14.562 12.258 134 HB2 SER 15 HB2 SER 15 -4.002 13.299 10.945 135 HB3 SER 15 HB3 SER 15 -3.538 11.784 11.721 136 HG SER 15 HG SER 15 -5.064 12.134 13.106 137 H ASN 16 H ASN 16 -1.000 11.670 13.418 138 HA ASN 16 HA ASN 16 -2.006 12.053 16.127 139 HB2 ASN 16 HB2 ASN 16 -0.099 9.962 15.052 140 HB3 ASN 16 HB3 ASN 16 -0.846 9.965 16.647 141 HD21 ASN 16 HD21 ASN 16 -3.409 10.585 16.159 142 HD22 ASN 16 HD22 ASN 16 -4.149 9.386 15.159 143 H HIS 17 H HIS 17 1.042 12.165 14.334 144 HA HIS 17 HA HIS 17 2.677 12.776 16.568 145 HB2 HIS 17 HB2 HIS 17 3.515 11.865 14.399 146 HB3 HIS 17 HB3 HIS 17 3.195 13.432 13.661 147 HD1 HIS 17 HD1 HIS 17 5.891 11.589 14.969 148 HD2 HIS 17 HD2 HIS 17 4.682 15.549 15.318 149 HE1 HIS 17 HE1 HIS 17 7.940 12.857 15.688 150 H PHE 18 H PHE 18 1.190 14.798 14.053 151 HA PHE 18 HA PHE 18 1.987 17.199 15.520 152 HB2 PHE 18 HB2 PHE 18 0.683 16.917 12.804 153 HB3 PHE 18 HB3 PHE 18 1.240 18.425 13.522 154 HD1 PHE 18 HD2 PHE 18 2.333 15.172 12.172 155 HD2 PHE 18 HD1 PHE 18 3.510 19.067 13.421 156 HE1 PHE 18 HE2 PHE 18 4.558 14.812 11.186 157 HE2 PHE 18 HE1 PHE 18 5.736 18.713 12.436 158 HZ PHE 18 HZ PHE 18 6.263 16.584 11.316 159 H ASP 19 H ASP 19 0.121 19.002 15.102 160 HA ASP 19 HA ASP 19 -2.212 17.925 16.515 161 HB2 ASP 19 HB2 ASP 19 -0.665 20.059 17.147 162 HB3 ASP 19 HB3 ASP 19 -1.926 20.851 16.206 163 H ILE 20 H ILE 20 -1.616 17.945 13.519 164 HA ILE 20 HA ILE 20 -3.663 19.667 12.431 165 HB ILE 20 HB ILE 20 -1.508 19.020 11.239 166 HG12 ILE 20 HG12 ILE 20 -4.060 18.499 9.706 167 HG13 ILE 20 HG13 ILE 20 -3.518 20.104 10.184 168 HG21 ILE 20 HG21 ILE 20 -1.723 16.591 11.752 169 HG22 ILE 20 HG22 ILE 20 -3.052 16.515 10.597 170 HG23 ILE 20 HG23 ILE 20 -1.431 16.944 10.049 171 HD11 ILE 20 HD11 ILE 20 -2.913 18.777 7.837 172 HD12 ILE 20 HD12 ILE 20 -2.136 20.233 8.458 173 HD13 ILE 20 HD13 ILE 20 -1.443 18.648 8.802 174 H GLU 21 H GLU 21 -5.417 18.819 11.077 175 HA GLU 21 HA GLU 21 -6.751 16.621 12.431 176 HB2 GLU 21 HB2 GLU 21 -7.565 18.906 10.770 177 HB3 GLU 21 HB3 GLU 21 -8.477 17.434 10.469 178 HG2 GLU 21 HG2 GLU 21 -8.126 18.773 13.142 179 HG3 GLU 21 HG3 GLU 21 -9.566 18.841 12.127 180 H ALA 22 H ALA 22 -6.816 14.609 11.690 181 HA ALA 22 HA ALA 22 -5.409 13.729 9.452 182 HB1 ALA 22 HB1 ALA 22 -6.816 12.546 11.558 183 HB2 ALA 22 HB2 ALA 22 -7.549 11.915 10.083 184 HB3 ALA 22 HB3 ALA 22 -5.815 11.740 10.350 185 H ASP 23 H ASP 23 -8.530 15.123 9.675 186 HA ASP 23 HA ASP 23 -9.354 14.085 7.069 187 HB2 ASP 23 HB2 ASP 23 -10.731 15.017 9.420 188 HB3 ASP 23 HB3 ASP 23 -11.257 15.938 8.014 189 H GLN 24 H GLN 24 -8.179 16.976 8.601 190 HA GLN 24 HA GLN 24 -8.845 18.707 6.396 191 HB2 GLN 24 HB2 GLN 24 -7.113 19.114 8.837 192 HB3 GLN 24 HB3 GLN 24 -7.437 20.366 7.645 193 HG2 GLN 24 HG2 GLN 24 -9.834 20.195 8.137 194 HG3 GLN 24 HG3 GLN 24 -9.482 18.976 9.361 195 HE21 GLN 24 HE21 GLN 24 -10.813 20.927 10.354 196 HE22 GLN 24 HE22 GLN 24 -9.837 22.058 11.223 197 H VAL 25 H VAL 25 -6.084 16.844 7.458 198 HA VAL 25 HA VAL 25 -3.993 17.964 6.090 199 HB VAL 25 HB VAL 25 -3.188 15.542 5.752 200 HG11 VAL 25 HG11 VAL 25 -3.868 16.665 8.463 201 HG12 VAL 25 HG12 VAL 25 -2.808 15.276 8.215 202 HG13 VAL 25 HG13 VAL 25 -2.363 16.854 7.564 203 HG21 VAL 25 HG21 VAL 25 -4.444 13.789 6.424 204 HG22 VAL 25 HG22 VAL 25 -5.206 14.695 7.731 205 HG23 VAL 25 HG23 VAL 25 -5.779 14.888 6.074 206 H THR 26 H THR 26 -4.160 18.763 4.081 207 HA THR 26 HA THR 26 -4.994 16.910 1.949 208 HB THR 26 HB THR 26 -6.749 18.599 2.277 209 HG1 THR 26 HG1 THR 26 -6.977 18.782 0.161 210 HG21 THR 26 HG21 THR 26 -6.173 20.977 1.599 211 HG22 THR 26 HG22 THR 26 -4.481 20.525 1.813 212 HG23 THR 26 HG23 THR 26 -5.592 20.457 3.180 213 H ASP 27 H ASP 27 -4.162 17.600 -0.228 214 HA ASP 27 HA ASP 27 -1.354 17.852 -0.141 215 HB2 ASP 27 HB2 ASP 27 -3.095 18.353 -2.558 216 HB3 ASP 27 HB3 ASP 27 -1.422 17.802 -2.532 217 H GLN 28 H GLN 28 -3.815 20.179 0.007 218 HA GLN 28 HA GLN 28 -2.081 22.321 -0.983 219 HB2 GLN 28 HB2 GLN 28 -5.016 22.136 -0.373 220 HB3 GLN 28 HB3 GLN 28 -4.226 23.702 -0.503 221 HG2 GLN 28 HG2 GLN 28 -3.454 22.163 -2.748 222 HG3 GLN 28 HG3 GLN 28 -5.201 22.020 -2.569 223 HE21 GLN 28 HE21 GLN 28 -2.985 23.666 -4.170 224 HE22 GLN 28 HE22 GLN 28 -3.755 25.205 -4.324 225 H LEU 29 H LEU 29 -2.070 20.757 1.712 226 HA LEU 29 HA LEU 29 -1.659 23.154 3.355 227 HB2 LEU 29 HB2 LEU 29 -3.514 20.930 3.834 228 HB3 LEU 29 HB3 LEU 29 -2.491 21.345 5.208 229 HG LEU 29 HG LEU 29 -3.327 23.754 4.828 230 HD11 LEU 29 HD11 LEU 29 -5.836 22.680 3.784 231 HD12 LEU 29 HD12 LEU 29 -4.507 22.654 2.625 232 HD13 LEU 29 HD13 LEU 29 -4.983 24.172 3.386 233 HD21 LEU 29 HD21 LEU 29 -4.875 23.434 6.474 234 HD22 LEU 29 HD22 LEU 29 -4.012 21.899 6.579 235 HD23 LEU 29 HD23 LEU 29 -5.549 21.991 5.717 236 H ASN 30 H ASN 30 0.572 22.688 2.687 237 HA ASN 30 HA ASN 30 1.972 20.364 3.263 238 HB2 ASN 30 HB2 ASN 30 3.055 22.014 1.945 239 HB3 ASN 30 HB3 ASN 30 2.845 23.250 3.182 240 HD21 ASN 30 HD21 ASN 30 5.086 23.664 3.063 241 HD22 ASN 30 HD22 ASN 30 6.225 22.623 3.840 242 H ILE 31 H ILE 31 2.401 19.355 5.103 243 HA ILE 31 HA ILE 31 1.726 20.442 7.634 244 HB ILE 31 HB ILE 31 3.355 17.987 6.970 245 HG12 ILE 31 HG12 ILE 31 0.864 17.253 7.988 246 HG13 ILE 31 HG13 ILE 31 0.512 18.588 6.896 247 HG21 ILE 31 HG21 ILE 31 2.288 17.469 9.383 248 HG22 ILE 31 HG22 ILE 31 3.894 18.157 9.155 249 HG23 ILE 31 HG23 ILE 31 2.529 19.210 9.522 250 HD11 ILE 31 HD11 ILE 31 1.030 17.394 5.063 251 HD12 ILE 31 HD12 ILE 31 2.342 16.527 5.863 252 HD13 ILE 31 HD13 ILE 31 0.670 16.030 6.122 253 H LYS 32 H LYS 32 4.816 19.843 6.004 254 HA LYS 32 HA LYS 32 6.604 20.427 7.996 255 HB2 LYS 32 HB2 LYS 32 7.259 19.700 5.745 256 HB3 LYS 32 HB3 LYS 32 6.793 21.267 5.097 257 HG2 LYS 32 HG2 LYS 32 9.051 21.541 5.293 258 HG3 LYS 32 HG3 LYS 32 8.514 22.164 6.855 259 HD2 LYS 32 HD2 LYS 32 9.233 20.279 7.998 260 HD3 LYS 32 HD3 LYS 32 9.207 19.269 6.551 261 HE2 LYS 32 HE2 LYS 32 11.481 19.624 6.973 262 HE3 LYS 32 HE3 LYS 32 11.090 20.768 5.690 263 HZ1 LYS 32 HZ1 LYS 32 11.522 21.318 8.563 264 HZ2 LYS 32 HZ2 LYS 32 10.737 22.426 7.554 265 HZ3 LYS 32 HZ3 LYS 32 12.336 21.975 7.232 266 H ASP 33 H ASP 33 4.866 22.721 5.931 267 HA ASP 33 HA ASP 33 6.042 24.987 7.315 268 HB2 ASP 33 HB2 ASP 33 4.196 24.670 4.969 269 HB3 ASP 33 HB3 ASP 33 4.357 26.234 5.764 270 H ASP 34 H ASP 34 2.719 23.845 6.690 271 HA ASP 34 HA ASP 34 1.311 25.539 8.301 272 HB2 ASP 34 HB2 ASP 34 0.302 23.793 6.861 273 HB3 ASP 34 HB3 ASP 34 0.796 22.570 8.028 274 H LEU 35 H LEU 35 2.584 22.374 9.350 275 HA LEU 35 HA LEU 35 2.078 22.992 12.119 276 HB2 LEU 35 HB2 LEU 35 3.279 20.671 10.658 277 HB3 LEU 35 HB3 LEU 35 3.407 20.794 12.411 278 HG LEU 35 HG LEU 35 1.575 19.336 11.790 279 HD11 LEU 35 HD11 LEU 35 1.474 21.171 13.689 280 HD12 LEU 35 HD12 LEU 35 0.097 20.129 13.332 281 HD13 LEU 35 HD13 LEU 35 0.145 21.774 12.699 282 HD21 LEU 35 HD21 LEU 35 0.035 19.775 10.212 283 HD22 LEU 35 HD22 LEU 35 1.234 20.930 9.630 284 HD23 LEU 35 HD23 LEU 35 -0.092 21.476 10.658 285 H ASN 36 H ASN 36 4.631 23.479 9.912 286 HA ASN 36 HA ASN 36 6.681 24.445 10.127 287 HB2 ASN 36 HB2 ASN 36 5.216 25.660 12.052 288 HB3 ASN 36 HB3 ASN 36 6.465 24.911 13.042 289 HD21 ASN 36 HD21 ASN 36 8.654 25.070 11.440 290 HD22 ASN 36 HD22 ASN 36 9.065 26.726 11.163 291 H ALA 37 H ALA 37 6.302 21.615 10.532 292 HA ALA 37 HA ALA 37 7.590 20.434 12.633 293 HB1 ALA 37 HB1 ALA 37 6.508 19.343 10.600 294 HB2 ALA 37 HB2 ALA 37 8.076 19.526 9.812 295 HB3 ALA 37 HB3 ALA 37 7.933 18.552 11.275 296 H ASP 38 H ASP 38 9.621 20.271 13.382 297 HA ASP 38 HA ASP 38 11.606 22.069 12.722 298 HB2 ASP 38 HB2 ASP 38 11.490 20.683 14.809 299 HB3 ASP 38 HB3 ASP 38 12.085 19.314 13.872 300 H SER 39 H SER 39 13.737 21.709 11.773 301 HA SER 39 HA SER 39 13.561 20.669 9.158 302 HB2 SER 39 HB2 SER 39 16.123 20.999 9.229 303 HB3 SER 39 HB3 SER 39 15.102 22.422 9.436 304 HG SER 39 HG SER 39 16.952 21.925 10.994 305 H ILE 40 H ILE 40 15.566 19.558 11.894 306 HA ILE 40 HA ILE 40 16.532 17.233 10.739 307 HB ILE 40 HB ILE 40 15.866 17.687 13.650 308 HG12 ILE 40 HG12 ILE 40 18.426 18.111 12.092 309 HG13 ILE 40 HG13 ILE 40 17.397 19.374 12.761 310 HG21 ILE 40 HG21 ILE 40 16.155 15.324 13.156 311 HG22 ILE 40 HG22 ILE 40 17.690 15.663 12.357 312 HG23 ILE 40 HG23 ILE 40 17.521 15.932 14.092 313 HD11 ILE 40 HD11 ILE 40 17.885 18.542 15.018 314 HD12 ILE 40 HD12 ILE 40 18.961 17.332 14.320 315 HD13 ILE 40 HD13 ILE 40 19.336 19.047 14.152 316 H SER 41 H SER 41 13.404 17.897 12.112 317 HA SER 41 HA SER 41 12.459 15.361 12.672 318 HB2 SER 41 HB2 SER 41 11.359 17.912 12.513 319 HB3 SER 41 HB3 SER 41 10.443 16.978 11.330 320 HG SER 41 HG SER 41 9.836 17.008 13.734 321 H VAL 42 H VAL 42 12.707 17.005 9.564 322 HA VAL 42 HA VAL 42 11.247 15.217 7.994 323 HB VAL 42 HB VAL 42 12.224 17.478 7.314 324 HG11 VAL 42 HG11 VAL 42 14.563 15.979 6.252 325 HG12 VAL 42 HG12 VAL 42 14.400 17.692 6.645 326 HG13 VAL 42 HG13 VAL 42 14.599 16.505 7.934 327 HG21 VAL 42 HG21 VAL 42 11.666 15.108 5.784 328 HG22 VAL 42 HG22 VAL 42 11.301 16.792 5.410 329 HG23 VAL 42 HG23 VAL 42 12.862 16.108 4.958 330 H MET 43 H MET 43 14.448 14.977 9.336 331 HA MET 43 HA MET 43 15.452 12.946 7.647 332 HB2 MET 43 HB2 MET 43 16.871 14.333 9.122 333 HB3 MET 43 HB3 MET 43 16.169 13.537 10.525 334 HG2 MET 43 HG2 MET 43 18.329 12.596 10.037 335 HG3 MET 43 HG3 MET 43 17.072 11.396 9.748 336 HE1 MET 43 HE1 MET 43 19.269 14.163 7.868 337 HE2 MET 43 HE2 MET 43 20.210 12.842 8.561 338 HE3 MET 43 HE3 MET 43 20.103 13.024 6.810 339 H GLU 44 H GLU 44 13.382 12.909 10.457 340 HA GLU 44 HA GLU 44 13.571 10.029 10.759 341 HB2 GLU 44 HB2 GLU 44 11.735 11.984 12.154 342 HB3 GLU 44 HB3 GLU 44 12.026 10.313 12.617 343 HG2 GLU 44 HG2 GLU 44 14.311 10.816 13.179 344 HG3 GLU 44 HG3 GLU 44 14.127 12.466 12.589 345 H PHE 45 H PHE 45 11.078 12.406 9.874 346 HA PHE 45 HA PHE 45 9.022 10.589 9.336 347 HB2 PHE 45 HB2 PHE 45 9.556 13.301 8.105 348 HB3 PHE 45 HB3 PHE 45 8.042 12.413 7.959 349 HD1 PHE 45 HD1 PHE 45 7.264 11.508 10.448 350 HD2 PHE 45 HD2 PHE 45 9.464 15.046 9.574 351 HE1 PHE 45 HE1 PHE 45 6.470 12.516 12.547 352 HE2 PHE 45 HE2 PHE 45 8.674 16.059 11.672 353 HZ PHE 45 HZ PHE 45 7.176 14.794 13.162 354 H VAL 46 H VAL 46 11.647 11.778 7.313 355 HA VAL 46 HA VAL 46 10.715 10.649 4.881 356 HB VAL 46 HB VAL 46 12.455 12.476 5.116 357 HG11 VAL 46 HG11 VAL 46 13.827 11.317 6.811 358 HG12 VAL 46 HG12 VAL 46 14.299 10.136 5.588 359 HG13 VAL 46 HG13 VAL 46 14.765 11.828 5.408 360 HG21 VAL 46 HG21 VAL 46 13.161 10.120 3.368 361 HG22 VAL 46 HG22 VAL 46 11.956 11.351 2.991 362 HG23 VAL 46 HG23 VAL 46 13.659 11.793 3.114 363 H LEU 47 H LEU 47 12.338 9.350 7.627 364 HA LEU 47 HA LEU 47 13.395 7.043 6.253 365 HB2 LEU 47 HB2 LEU 47 14.246 8.228 8.420 366 HB3 LEU 47 HB3 LEU 47 13.061 7.195 9.217 367 HG LEU 47 HG LEU 47 14.297 5.279 7.941 368 HD11 LEU 47 HD11 LEU 47 15.989 5.990 6.680 369 HD12 LEU 47 HD12 LEU 47 16.853 6.278 8.190 370 HD13 LEU 47 HD13 LEU 47 15.971 7.594 7.414 371 HD21 LEU 47 HD21 LEU 47 15.679 4.915 9.856 372 HD22 LEU 47 HD22 LEU 47 14.177 5.659 10.405 373 HD23 LEU 47 HD23 LEU 47 15.646 6.628 10.273 374 H GLU 48 H GLU 48 10.867 7.571 8.712 375 HA GLU 48 HA GLU 48 9.879 5.004 8.882 376 HB2 GLU 48 HB2 GLU 48 7.675 6.109 9.456 377 HB3 GLU 48 HB3 GLU 48 9.061 6.623 10.408 378 HG2 GLU 48 HG2 GLU 48 9.265 8.629 9.025 379 HG3 GLU 48 HG3 GLU 48 7.864 8.117 8.086 380 H LEU 49 H LEU 49 9.041 7.524 6.540 381 HA LEU 49 HA LEU 49 7.020 6.050 5.218 382 HB2 LEU 49 HB2 LEU 49 8.753 8.253 4.111 383 HB3 LEU 49 HB3 LEU 49 7.211 7.705 3.457 384 HG LEU 49 HG LEU 49 7.350 8.803 6.237 385 HD11 LEU 49 HD11 LEU 49 6.608 10.741 4.193 386 HD12 LEU 49 HD12 LEU 49 8.304 10.261 4.117 387 HD13 LEU 49 HD13 LEU 49 7.641 10.924 5.611 388 HD21 LEU 49 HD21 LEU 49 5.189 9.044 4.161 389 HD22 LEU 49 HD22 LEU 49 5.065 9.274 5.905 390 HD23 LEU 49 HD23 LEU 49 5.318 7.658 5.244 391 H GLU 50 H GLU 50 10.493 6.398 4.682 392 HA GLU 50 HA GLU 50 10.572 4.958 2.242 393 HB2 GLU 50 HB2 GLU 50 12.468 6.235 2.535 394 HB3 GLU 50 HB3 GLU 50 12.586 5.859 4.248 395 HG2 GLU 50 HG2 GLU 50 13.757 3.948 3.897 396 HG3 GLU 50 HG3 GLU 50 12.998 3.637 2.337 397 H ASP 51 H ASP 51 10.703 4.020 5.609 398 HA ASP 51 HA ASP 51 11.488 1.304 5.044 399 HB2 ASP 51 HB2 ASP 51 12.052 2.532 7.174 400 HB3 ASP 51 HB3 ASP 51 10.353 2.402 7.620 401 H GLU 52 H GLU 52 8.546 2.788 6.417 402 HA GLU 52 HA GLU 52 6.936 0.554 6.474 403 HB2 GLU 52 HB2 GLU 52 6.487 3.002 7.242 404 HB3 GLU 52 HB3 GLU 52 5.812 3.206 5.632 405 HG2 GLU 52 HG2 GLU 52 4.914 1.145 7.633 406 HG3 GLU 52 HG3 GLU 52 4.113 2.686 7.329 407 H PHE 53 H PHE 53 6.980 2.975 3.851 408 HA PHE 53 HA PHE 53 5.451 1.340 2.091 409 HB2 PHE 53 HB2 PHE 53 7.195 3.670 1.292 410 HB3 PHE 53 HB3 PHE 53 5.763 3.063 0.468 411 HD1 PHE 53 HD1 PHE 53 4.026 2.720 2.926 412 HD2 PHE 53 HD2 PHE 53 6.533 5.904 1.624 413 HE1 PHE 53 HE1 PHE 53 2.633 4.322 4.171 414 HE2 PHE 53 HE2 PHE 53 5.145 7.510 2.867 415 HZ PHE 53 HZ PHE 53 3.191 6.720 4.142 416 H GLY 54 H GLY 54 8.843 1.717 2.743 417 HA2 GLY 54 HA2 GLY 54 10.621 0.409 2.076 418 HA3 GLY 54 HA3 GLY 54 9.481 -0.620 1.223 419 H THR 55 H THR 55 10.577 2.761 0.919 420 HA THR 55 HA THR 55 11.430 2.189 -1.821 421 HB THR 55 HB THR 55 9.113 3.039 -1.989 422 HG1 THR 55 HG1 THR 55 10.378 3.570 -3.721 423 HG21 THR 55 HG21 THR 55 8.563 5.298 -1.347 424 HG22 THR 55 HG22 THR 55 10.215 5.586 -0.801 425 HG23 THR 55 HG23 THR 55 9.187 4.444 0.063 426 H GLU 56 H GLU 56 12.916 3.725 -2.686 427 HA GLU 56 HA GLU 56 14.518 4.994 -0.622 428 HB2 GLU 56 HB2 GLU 56 16.144 5.362 -2.469 429 HB3 GLU 56 HB3 GLU 56 15.707 3.674 -2.248 430 HG2 GLU 56 HG2 GLU 56 13.906 4.775 -4.126 431 HG3 GLU 56 HG3 GLU 56 15.532 5.273 -4.588 432 H ILE 57 H ILE 57 14.437 7.085 -0.150 433 HA ILE 57 HA ILE 57 13.046 8.887 -2.011 434 HB ILE 57 HB ILE 57 13.576 9.264 0.939 435 HG12 ILE 57 HG12 ILE 57 11.024 8.555 -0.525 436 HG13 ILE 57 HG13 ILE 57 11.958 7.467 0.495 437 HG21 ILE 57 HG21 ILE 57 11.486 10.900 -0.141 438 HG22 ILE 57 HG22 ILE 57 12.965 11.382 0.689 439 HG23 ILE 57 HG23 ILE 57 12.972 11.143 -1.058 440 HD11 ILE 57 HD11 ILE 57 11.546 9.104 2.376 441 HD12 ILE 57 HD12 ILE 57 10.367 9.873 1.313 442 HD13 ILE 57 HD13 ILE 57 10.150 8.192 1.801 443 H SER 58 H SER 58 14.302 10.158 -3.188 444 HA SER 58 HA SER 58 17.044 10.469 -2.904 445 HB2 SER 58 HB2 SER 58 15.268 11.166 -4.814 446 HB3 SER 58 HB3 SER 58 15.583 12.751 -4.108 447 HG SER 58 HG SER 58 17.019 11.768 -5.894 448 H ASP 59 H ASP 59 18.245 12.495 -2.468 449 HA ASP 59 HA ASP 59 17.453 13.556 0.096 450 HB2 ASP 59 HB2 ASP 59 19.905 13.764 -1.619 451 HB3 ASP 59 HB3 ASP 59 19.675 14.878 -0.274 452 H GLU 60 H GLU 60 17.541 14.627 -3.220 453 HA GLU 60 HA GLU 60 17.204 17.409 -2.632 454 HB2 GLU 60 HB2 GLU 60 16.519 16.048 -5.233 455 HB3 GLU 60 HB3 GLU 60 16.983 17.725 -4.978 456 HG2 GLU 60 HG2 GLU 60 19.230 16.917 -4.260 457 HG3 GLU 60 HG3 GLU 60 18.737 15.295 -4.742 458 H ASP 61 H ASP 61 15.014 15.048 -4.171 459 HA ASP 61 HA ASP 61 12.713 16.618 -4.041 460 HB2 ASP 61 HB2 ASP 61 13.164 13.651 -4.206 461 HB3 ASP 61 HB3 ASP 61 11.534 14.308 -4.088 462 H ALA 62 H ALA 62 14.349 14.848 -1.582 463 HA ALA 62 HA ALA 62 12.361 14.237 0.227 464 HB1 ALA 62 HB1 ALA 62 14.377 13.472 0.953 465 HB2 ALA 62 HB2 ALA 62 15.234 14.936 0.468 466 HB3 ALA 62 HB3 ALA 62 14.266 14.928 1.942 467 H GLU 63 H GLU 63 13.489 17.342 -0.757 468 HA GLU 63 HA GLU 63 12.367 18.713 1.542 469 HB2 GLU 63 HB2 GLU 63 14.439 19.544 0.504 470 HB3 GLU 63 HB3 GLU 63 13.573 19.818 -1.001 471 HG2 GLU 63 HG2 GLU 63 12.739 21.760 -0.302 472 HG3 GLU 63 HG3 GLU 63 12.330 21.118 1.288 473 H LYS 64 H LYS 64 11.552 18.018 -1.786 474 HA LYS 64 HA LYS 64 9.123 19.650 -1.574 475 HB2 LYS 64 HB2 LYS 64 8.945 19.493 -3.957 476 HB3 LYS 64 HB3 LYS 64 10.612 19.902 -3.575 477 HG2 LYS 64 HG2 LYS 64 10.858 17.252 -3.671 478 HG3 LYS 64 HG3 LYS 64 9.483 17.441 -4.762 479 HD2 LYS 64 HD2 LYS 64 11.075 19.388 -5.703 480 HD3 LYS 64 HD3 LYS 64 12.301 18.277 -5.088 481 HE2 LYS 64 HE2 LYS 64 12.062 17.042 -6.917 482 HE3 LYS 64 HE3 LYS 64 10.390 16.719 -6.460 483 HZ1 LYS 64 HZ1 LYS 64 10.608 17.681 -8.695 484 HZ2 LYS 64 HZ2 LYS 64 11.283 19.079 -8.025 485 HZ3 LYS 64 HZ3 LYS 64 9.685 18.656 -7.665 486 H ILE 65 H ILE 65 9.351 17.213 -0.087 487 HA ILE 65 HA ILE 65 6.992 15.863 -1.124 488 HB ILE 65 HB ILE 65 7.939 13.623 -0.851 489 HG12 ILE 65 HG12 ILE 65 10.719 14.134 -0.951 490 HG13 ILE 65 HG13 ILE 65 10.080 15.091 0.381 491 HG21 ILE 65 HG21 ILE 65 9.468 15.401 -2.745 492 HG22 ILE 65 HG22 ILE 65 9.423 13.640 -2.832 493 HG23 ILE 65 HG23 ILE 65 7.945 14.572 -3.065 494 HD11 ILE 65 HD11 ILE 65 10.883 12.603 0.704 495 HD12 ILE 65 HD12 ILE 65 9.514 13.262 1.602 496 HD13 ILE 65 HD13 ILE 65 9.235 12.258 0.179 497 H GLU 66 H GLU 66 7.352 17.583 1.092 498 HA GLU 66 HA GLU 66 7.188 15.758 3.389 499 HB2 GLU 66 HB2 GLU 66 7.494 18.766 3.367 500 HB3 GLU 66 HB3 GLU 66 7.527 17.732 4.788 501 HG2 GLU 66 HG2 GLU 66 9.617 16.907 4.312 502 HG3 GLU 66 HG3 GLU 66 9.476 17.247 2.589 503 H THR 67 H THR 67 5.293 17.595 1.281 504 HA THR 67 HA THR 67 3.145 18.098 3.163 505 HB THR 67 HB THR 67 2.138 19.380 1.547 506 HG1 THR 67 HG1 THR 67 2.026 18.825 -0.557 507 HG21 THR 67 HG21 THR 67 4.858 19.411 0.281 508 HG22 THR 67 HG22 THR 67 4.616 20.012 1.922 509 HG23 THR 67 HG23 THR 67 3.754 20.754 0.574 510 H VAL 68 H VAL 68 0.948 17.321 2.750 511 HA VAL 68 HA VAL 68 0.708 14.586 2.720 512 HB VAL 68 HB VAL 68 -1.412 16.508 1.752 513 HG11 VAL 68 HG11 VAL 68 -2.721 14.727 1.563 514 HG12 VAL 68 HG12 VAL 68 -1.375 13.681 2.020 515 HG13 VAL 68 HG13 VAL 68 -2.443 14.339 3.261 516 HG21 VAL 68 HG21 VAL 68 -0.657 17.299 3.865 517 HG22 VAL 68 HG22 VAL 68 -2.166 16.431 4.148 518 HG23 VAL 68 HG23 VAL 68 -0.624 15.668 4.535 519 H GLY 69 H GLY 69 0.250 16.807 -0.023 520 HA2 GLY 69 HA2 GLY 69 -0.209 14.640 -1.869 521 HA3 GLY 69 HA3 GLY 69 -0.065 16.344 -2.273 522 H ALA 70 H ALA 70 2.435 16.939 -1.281 523 HA ALA 70 HA ALA 70 4.115 16.087 -3.351 524 HB1 ALA 70 HB1 ALA 70 4.262 18.124 -1.701 525 HB2 ALA 70 HB2 ALA 70 5.291 17.025 -0.780 526 HB3 ALA 70 HB3 ALA 70 5.716 17.450 -2.438 527 H ALA 71 H ALA 71 3.236 14.534 -0.446 528 HA ALA 71 HA ALA 71 5.616 12.881 -0.302 529 HB1 ALA 71 HB1 ALA 71 4.156 11.712 1.500 530 HB2 ALA 71 HB2 ALA 71 4.818 13.315 1.822 531 HB3 ALA 71 HB3 ALA 71 3.131 13.138 1.338 532 H VAL 72 H VAL 72 2.138 12.094 -0.479 533 HA VAL 72 HA VAL 72 2.441 9.462 -1.319 534 HB VAL 72 HB VAL 72 0.308 10.284 -0.515 535 HG11 VAL 72 HG11 VAL 72 0.620 12.544 -1.687 536 HG12 VAL 72 HG12 VAL 72 -0.103 11.761 -3.094 537 HG13 VAL 72 HG13 VAL 72 -1.012 11.885 -1.587 538 HG21 VAL 72 HG21 VAL 72 -0.013 9.450 -3.393 539 HG22 VAL 72 HG22 VAL 72 0.407 8.340 -2.089 540 HG23 VAL 72 HG23 VAL 72 -1.142 9.183 -2.065 541 H ASP 73 H ASP 73 2.249 12.434 -3.211 542 HA ASP 73 HA ASP 73 2.053 11.250 -5.755 543 HB2 ASP 73 HB2 ASP 73 1.628 13.659 -5.252 544 HB3 ASP 73 HB3 ASP 73 3.365 13.886 -5.065 545 H TYR 74 H TYR 74 4.717 11.655 -3.592 546 HA TYR 74 HA TYR 74 6.702 11.149 -5.655 547 HB2 TYR 74 HB2 TYR 74 7.227 12.750 -3.872 548 HB3 TYR 74 HB3 TYR 74 7.012 11.488 -2.664 549 HD1 TYR 74 HD2 TYR 74 9.014 12.204 -5.736 550 HD2 TYR 74 HD1 TYR 74 8.880 10.355 -1.907 551 HE1 TYR 74 HE2 TYR 74 11.389 11.603 -5.950 552 HE2 TYR 74 HE1 TYR 74 11.255 9.749 -2.109 553 HH TYR 74 HH TYR 74 12.869 9.393 -4.458 554 H ILE 75 H ILE 75 5.604 9.592 -2.646 555 HA ILE 75 HA ILE 75 7.136 7.270 -2.855 556 HB ILE 75 HB ILE 75 4.380 7.497 -1.642 557 HG12 ILE 75 HG12 ILE 75 5.876 9.204 -0.735 558 HG13 ILE 75 HG13 ILE 75 5.569 7.957 0.469 559 HG21 ILE 75 HG21 ILE 75 4.613 5.406 -0.918 560 HG22 ILE 75 HG22 ILE 75 5.978 5.262 -2.025 561 HG23 ILE 75 HG23 ILE 75 6.251 5.716 -0.343 562 HD11 ILE 75 HD11 ILE 75 7.753 7.768 0.734 563 HD12 ILE 75 HD12 ILE 75 7.863 7.144 -0.912 564 HD13 ILE 75 HD13 ILE 75 8.055 8.870 -0.608 565 H VAL 76 H VAL 76 3.950 8.039 -4.175 566 HA VAL 76 HA VAL 76 3.473 5.424 -5.218 567 HB VAL 76 HB VAL 76 2.193 8.069 -5.918 568 HG11 VAL 76 HG11 VAL 76 0.368 6.654 -6.851 569 HG12 VAL 76 HG12 VAL 76 1.881 6.557 -7.755 570 HG13 VAL 76 HG13 VAL 76 1.420 5.252 -6.661 571 HG21 VAL 76 HG21 VAL 76 1.953 7.233 -3.559 572 HG22 VAL 76 HG22 VAL 76 0.438 7.459 -4.433 573 HG23 VAL 76 HG23 VAL 76 1.098 5.838 -4.217 574 H SER 77 H SER 77 4.119 8.522 -6.871 575 HA SER 77 HA SER 77 4.468 7.550 -9.427 576 HB2 SER 77 HB2 SER 77 4.369 9.946 -8.911 577 HB3 SER 77 HB3 SER 77 5.944 9.852 -8.123 578 HG SER 77 HG SER 77 5.361 10.126 -10.743 579 H ASN 78 H ASN 78 6.657 7.434 -6.718 580 HA ASN 78 HA ASN 78 8.897 6.571 -8.348 581 HB2 ASN 78 HB2 ASN 78 9.079 8.029 -6.253 582 HB3 ASN 78 HB3 ASN 78 8.768 6.559 -5.335 583 HD21 ASN 78 HD21 ASN 78 10.579 5.829 -4.508 584 HD22 ASN 78 HD22 ASN 78 12.109 5.751 -5.308 585 H SER 79 H SER 79 6.502 5.195 -6.190 586 HA SER 79 HA SER 79 5.909 3.051 -5.715 587 HB2 SER 79 HB2 SER 79 7.498 2.233 -8.149 588 HB3 SER 79 HB3 SER 79 6.103 1.418 -7.443 589 HG SER 79 HG SER 79 4.797 3.069 -8.150 Start of MODEL 15 1 H1 MET 1 H MET 1 4.088 -0.713 -1.585 2 HA MET 1 HA MET 1 1.890 -0.453 -1.043 3 HB2 MET 1 HB2 MET 1 3.144 1.799 0.440 4 HB3 MET 1 HB3 MET 1 1.404 1.866 0.196 5 HG2 MET 1 HG2 MET 1 1.085 -0.194 1.343 6 HG3 MET 1 HG3 MET 1 2.820 -0.495 1.398 7 HE1 MET 1 HE1 MET 1 0.600 -0.265 4.186 8 HE2 MET 1 HE2 MET 1 2.073 -1.142 3.772 9 HE3 MET 1 HE3 MET 1 2.073 -0.004 5.120 10 H THR 2 H THR 2 -0.023 0.994 -1.529 11 HA THR 2 HA THR 2 0.410 2.206 -4.139 12 HB THR 2 HB THR 2 -1.447 0.584 -3.804 13 HG1 THR 2 HG1 THR 2 -2.062 1.747 -5.471 14 HG21 THR 2 HG21 THR 2 -2.011 1.371 -1.488 15 HG22 THR 2 HG22 THR 2 -3.401 1.174 -2.556 16 HG23 THR 2 HG23 THR 2 -2.768 2.785 -2.220 17 H ARG 3 H ARG 3 -1.082 4.171 -4.598 18 HA ARG 3 HA ARG 3 -0.119 6.359 -3.161 19 HB2 ARG 3 HB2 ARG 3 -1.853 7.668 -4.370 20 HB3 ARG 3 HB3 ARG 3 -0.909 6.622 -5.423 21 HG2 ARG 3 HG2 ARG 3 -2.751 4.971 -5.365 22 HG3 ARG 3 HG3 ARG 3 -3.700 6.118 -4.416 23 HD2 ARG 3 HD2 ARG 3 -3.342 7.764 -6.308 24 HD3 ARG 3 HD3 ARG 3 -2.724 6.406 -7.246 25 HE ARG 3 HE ARG 3 -5.315 5.930 -6.100 26 HH11 ARG 3 HH11 ARG 3 -3.585 7.277 -8.804 27 HH12 ARG 3 HH12 ARG 3 -4.916 7.118 -9.902 28 HH21 ARG 3 HH21 ARG 3 -7.075 5.717 -7.535 29 HH22 ARG 3 HH22 ARG 3 -6.901 6.232 -9.179 30 H GLU 4 H GLU 4 -3.155 4.580 -2.873 31 HA GLU 4 HA GLU 4 -4.450 6.300 -1.076 32 HB2 GLU 4 HB2 GLU 4 -4.702 3.383 -1.718 33 HB3 GLU 4 HB3 GLU 4 -5.603 4.061 -0.369 34 HG2 GLU 4 HG2 GLU 4 -7.032 5.175 -1.702 35 HG3 GLU 4 HG3 GLU 4 -5.796 5.540 -2.906 36 H GLU 5 H GLU 5 -2.832 3.209 -0.315 37 HA GLU 5 HA GLU 5 -2.876 3.390 2.429 38 HB2 GLU 5 HB2 GLU 5 -1.361 1.897 0.447 39 HB3 GLU 5 HB3 GLU 5 -0.405 2.232 1.884 40 HG2 GLU 5 HG2 GLU 5 -1.616 0.069 1.942 41 HG3 GLU 5 HG3 GLU 5 -1.990 1.144 3.287 42 H VAL 6 H VAL 6 -0.427 4.682 0.211 43 HA VAL 6 HA VAL 6 1.323 5.690 2.165 44 HB VAL 6 HB VAL 6 0.845 6.665 -0.654 45 HG11 VAL 6 HG11 VAL 6 3.481 7.191 0.162 46 HG12 VAL 6 HG12 VAL 6 2.204 8.358 -0.187 47 HG13 VAL 6 HG13 VAL 6 2.436 7.768 1.459 48 HG21 VAL 6 HG21 VAL 6 3.285 5.175 0.011 49 HG22 VAL 6 HG22 VAL 6 1.794 4.240 0.122 50 HG23 VAL 6 HG23 VAL 6 2.220 5.044 -1.389 51 H LEU 7 H LEU 7 -1.184 7.376 0.270 52 HA LEU 7 HA LEU 7 -0.938 9.882 1.429 53 HB2 LEU 7 HB2 LEU 7 -2.277 9.734 -0.478 54 HB3 LEU 7 HB3 LEU 7 -3.249 8.428 0.197 55 HG LEU 7 HG LEU 7 -4.323 10.006 1.722 56 HD11 LEU 7 HD11 LEU 7 -3.692 12.502 0.673 57 HD12 LEU 7 HD12 LEU 7 -2.138 11.698 0.891 58 HD13 LEU 7 HD13 LEU 7 -3.240 11.869 2.257 59 HD21 LEU 7 HD21 LEU 7 -4.365 10.493 -1.224 60 HD22 LEU 7 HD22 LEU 7 -5.329 11.513 -0.155 61 HD23 LEU 7 HD23 LEU 7 -5.593 9.769 -0.186 62 H GLN 8 H GLN 8 -2.969 7.152 2.439 63 HA GLN 8 HA GLN 8 -4.258 8.418 4.576 64 HB2 GLN 8 HB2 GLN 8 -3.632 5.555 3.938 65 HB3 GLN 8 HB3 GLN 8 -4.369 5.976 5.478 66 HG2 GLN 8 HG2 GLN 8 -5.744 7.251 3.291 67 HG3 GLN 8 HG3 GLN 8 -5.660 5.505 3.063 68 HE21 GLN 8 HE21 GLN 8 -7.931 5.433 3.346 69 HE22 GLN 8 HE22 GLN 8 -8.630 5.512 4.923 70 H LYS 9 H LYS 9 -1.496 6.162 4.744 71 HA LYS 9 HA LYS 9 -0.885 6.370 7.399 72 HB2 LYS 9 HB2 LYS 9 0.538 5.618 4.982 73 HB3 LYS 9 HB3 LYS 9 1.615 6.356 6.160 74 HG2 LYS 9 HG2 LYS 9 1.537 3.927 6.389 75 HG3 LYS 9 HG3 LYS 9 0.933 4.740 7.835 76 HD2 LYS 9 HD2 LYS 9 -1.172 4.199 5.906 77 HD3 LYS 9 HD3 LYS 9 -0.344 2.730 6.425 78 HE2 LYS 9 HE2 LYS 9 -1.129 2.879 8.538 79 HE3 LYS 9 HE3 LYS 9 -1.024 4.638 8.564 80 HZ1 LYS 9 HZ1 LYS 9 -3.033 4.715 7.189 81 HZ2 LYS 9 HZ2 LYS 9 -3.312 3.942 8.667 82 HZ3 LYS 9 HZ3 LYS 9 -3.147 3.028 7.253 83 H VAL 10 H VAL 10 0.653 8.351 4.856 84 HA VAL 10 HA VAL 10 2.084 10.068 6.456 85 HB VAL 10 HB VAL 10 0.680 10.712 3.860 86 HG11 VAL 10 HG11 VAL 10 1.210 12.767 5.018 87 HG12 VAL 10 HG12 VAL 10 2.858 12.211 5.312 88 HG13 VAL 10 HG13 VAL 10 2.320 12.547 3.666 89 HG21 VAL 10 HG21 VAL 10 2.186 9.283 3.037 90 HG22 VAL 10 HG22 VAL 10 3.388 10.523 3.393 91 HG23 VAL 10 HG23 VAL 10 3.087 9.228 4.552 92 H ALA 11 H ALA 11 -1.294 10.393 5.412 93 HA ALA 11 HA ALA 11 -1.792 12.891 6.595 94 HB1 ALA 11 HB1 ALA 11 -3.607 10.612 5.854 95 HB2 ALA 11 HB2 ALA 11 -4.209 12.128 6.525 96 HB3 ALA 11 HB3 ALA 11 -3.339 12.127 4.991 97 H LYS 12 H LYS 12 -2.068 9.602 7.857 98 HA LYS 12 HA LYS 12 -3.246 10.367 10.337 99 HB2 LYS 12 HB2 LYS 12 -3.022 8.014 9.073 100 HB3 LYS 12 HB3 LYS 12 -1.651 7.865 10.165 101 HG2 LYS 12 HG2 LYS 12 -3.170 8.323 12.064 102 HG3 LYS 12 HG3 LYS 12 -4.525 8.331 10.933 103 HD2 LYS 12 HD2 LYS 12 -4.413 6.163 11.942 104 HD3 LYS 12 HD3 LYS 12 -3.884 6.011 10.265 105 HE2 LYS 12 HE2 LYS 12 -1.715 5.587 10.845 106 HE3 LYS 12 HE3 LYS 12 -1.816 6.523 12.335 107 HZ1 LYS 12 HZ1 LYS 12 -1.748 3.899 12.331 108 HZ2 LYS 12 HZ2 LYS 12 -3.420 4.089 12.169 109 HZ3 LYS 12 HZ3 LYS 12 -2.617 4.766 13.495 110 H ILE 13 H ILE 13 0.017 9.105 9.619 111 HA ILE 13 HA ILE 13 1.188 9.528 12.066 112 HB ILE 13 HB ILE 13 2.510 9.910 9.377 113 HG12 ILE 13 HG12 ILE 13 2.291 7.447 11.122 114 HG13 ILE 13 HG13 ILE 13 1.388 7.722 9.636 115 HG21 ILE 13 HG21 ILE 13 3.893 10.828 11.108 116 HG22 ILE 13 HG22 ILE 13 3.662 9.399 12.114 117 HG23 ILE 13 HG23 ILE 13 4.577 9.281 10.611 118 HD11 ILE 13 HD11 ILE 13 4.328 7.249 9.971 119 HD12 ILE 13 HD12 ILE 13 3.155 6.312 9.043 120 HD13 ILE 13 HD13 ILE 13 3.643 7.913 8.488 121 H ILE 14 H ILE 14 0.643 11.859 9.482 122 HA ILE 14 HA ILE 14 2.107 13.964 10.776 123 HB ILE 14 HB ILE 14 0.225 13.946 8.423 124 HG12 ILE 14 HG12 ILE 14 3.203 14.433 8.651 125 HG13 ILE 14 HG13 ILE 14 2.453 12.943 8.090 126 HG21 ILE 14 HG21 ILE 14 0.979 16.300 8.054 127 HG22 ILE 14 HG22 ILE 14 -0.073 16.079 9.451 128 HG23 ILE 14 HG23 ILE 14 1.665 16.274 9.678 129 HD11 ILE 14 HD11 ILE 14 1.354 14.425 6.303 130 HD12 ILE 14 HD12 ILE 14 2.589 15.604 6.743 131 HD13 ILE 14 HD13 ILE 14 3.061 14.018 6.136 132 H SER 15 H SER 15 -1.272 12.999 10.521 133 HA SER 15 HA SER 15 -2.337 15.320 11.771 134 HB2 SER 15 HB2 SER 15 -3.856 14.080 10.448 135 HB3 SER 15 HB3 SER 15 -3.435 12.562 11.242 136 HG SER 15 HG SER 15 -4.987 12.960 12.582 137 H ASN 16 H ASN 16 -0.830 12.459 12.942 138 HA ASN 16 HA ASN 16 -1.874 12.817 15.642 139 HB2 ASN 16 HB2 ASN 16 -1.634 10.594 15.706 140 HB3 ASN 16 HB3 ASN 16 -0.833 10.607 14.138 141 HD21 ASN 16 HD21 ASN 16 1.381 10.524 14.030 142 HD22 ASN 16 HD22 ASN 16 2.376 10.179 15.400 143 H HIS 17 H HIS 17 1.213 12.899 13.903 144 HA HIS 17 HA HIS 17 2.792 13.566 16.162 145 HB2 HIS 17 HB2 HIS 17 3.716 12.591 14.078 146 HB3 HIS 17 HB3 HIS 17 3.363 14.097 13.238 147 HD1 HIS 17 HD1 HIS 17 6.083 12.423 14.724 148 HD2 HIS 17 HD2 HIS 17 4.763 16.362 14.756 149 HE1 HIS 17 HE1 HIS 17 8.082 13.796 15.388 150 H PHE 18 H PHE 18 1.376 15.522 13.556 151 HA PHE 18 HA PHE 18 2.164 17.964 14.952 152 HB2 PHE 18 HB2 PHE 18 0.856 17.586 12.250 153 HB3 PHE 18 HB3 PHE 18 1.396 19.124 12.916 154 HD1 PHE 18 HD2 PHE 18 2.514 15.849 11.652 155 HD2 PHE 18 HD1 PHE 18 3.670 19.774 12.822 156 HE1 PHE 18 HE2 PHE 18 4.744 15.479 10.679 157 HE2 PHE 18 HE1 PHE 18 5.901 19.411 11.851 158 HZ PHE 18 HZ PHE 18 6.440 17.261 10.777 159 H ASP 19 H ASP 19 0.337 19.767 14.572 160 HA ASP 19 HA ASP 19 -2.012 18.731 15.984 161 HB2 ASP 19 HB2 ASP 19 -0.415 21.054 16.290 162 HB3 ASP 19 HB3 ASP 19 -2.014 21.589 15.780 163 H ILE 20 H ILE 20 -1.421 18.713 12.985 164 HA ILE 20 HA ILE 20 -3.455 20.441 11.883 165 HB ILE 20 HB ILE 20 -1.311 19.766 10.691 166 HG12 ILE 20 HG12 ILE 20 -3.866 19.230 9.167 167 HG13 ILE 20 HG13 ILE 20 -3.329 20.841 9.631 168 HG21 ILE 20 HG21 ILE 20 -1.491 17.356 11.222 169 HG22 ILE 20 HG22 ILE 20 -2.876 17.250 10.136 170 HG23 ILE 20 HG23 ILE 20 -1.286 17.670 9.499 171 HD11 ILE 20 HD11 ILE 20 -1.237 19.402 8.271 172 HD12 ILE 20 HD12 ILE 20 -2.708 19.475 7.302 173 HD13 ILE 20 HD13 ILE 20 -1.967 20.962 7.892 174 H GLU 21 H GLU 21 -5.223 19.597 10.547 175 HA GLU 21 HA GLU 21 -6.572 17.425 11.927 176 HB2 GLU 21 HB2 GLU 21 -7.369 19.710 10.268 177 HB3 GLU 21 HB3 GLU 21 -8.284 18.244 9.943 178 HG2 GLU 21 HG2 GLU 21 -7.902 19.185 12.751 179 HG3 GLU 21 HG3 GLU 21 -9.131 19.918 11.722 180 H ALA 22 H ALA 22 -6.647 15.406 11.210 181 HA ALA 22 HA ALA 22 -5.256 14.483 8.985 182 HB1 ALA 22 HB1 ALA 22 -6.678 13.341 11.097 183 HB2 ALA 22 HB2 ALA 22 -7.434 12.715 9.631 184 HB3 ALA 22 HB3 ALA 22 -5.702 12.504 9.889 185 H ASP 23 H ASP 23 -8.370 15.907 9.187 186 HA ASP 23 HA ASP 23 -9.182 14.869 6.578 187 HB2 ASP 23 HB2 ASP 23 -10.566 16.139 8.866 188 HB3 ASP 23 HB3 ASP 23 -11.193 16.538 7.269 189 H GLN 24 H GLN 24 -7.954 17.735 8.095 190 HA GLN 24 HA GLN 24 -8.607 19.471 5.882 191 HB2 GLN 24 HB2 GLN 24 -6.884 19.888 8.329 192 HB3 GLN 24 HB3 GLN 24 -7.226 21.135 7.137 193 HG2 GLN 24 HG2 GLN 24 -9.419 19.698 8.587 194 HG3 GLN 24 HG3 GLN 24 -8.616 21.109 9.273 195 HE21 GLN 24 HE21 GLN 24 -10.469 22.355 9.217 196 HE22 GLN 24 HE22 GLN 24 -11.139 22.960 7.744 197 H VAL 25 H VAL 25 -5.871 17.595 6.984 198 HA VAL 25 HA VAL 25 -3.752 18.690 5.649 199 HB VAL 25 HB VAL 25 -2.973 16.261 5.304 200 HG11 VAL 25 HG11 VAL 25 -3.669 17.396 8.005 201 HG12 VAL 25 HG12 VAL 25 -2.652 15.971 7.783 202 HG13 VAL 25 HG13 VAL 25 -2.142 17.530 7.133 203 HG21 VAL 25 HG21 VAL 25 -4.264 14.520 5.937 204 HG22 VAL 25 HG22 VAL 25 -5.021 15.419 7.251 205 HG23 VAL 25 HG23 VAL 25 -5.580 15.642 5.594 206 H THR 26 H THR 26 -3.864 19.499 3.642 207 HA THR 26 HA THR 26 -4.672 17.668 1.483 208 HB THR 26 HB THR 26 -6.462 19.298 1.758 209 HG1 THR 26 HG1 THR 26 -6.497 19.146 -0.348 210 HG21 THR 26 HG21 THR 26 -4.189 21.228 1.730 211 HG22 THR 26 HG22 THR 26 -5.633 21.204 2.741 212 HG23 THR 26 HG23 THR 26 -5.740 21.735 1.063 213 H ASP 27 H ASP 27 -3.782 18.309 -0.656 214 HA ASP 27 HA ASP 27 -0.989 18.642 -0.516 215 HB2 ASP 27 HB2 ASP 27 -1.068 18.730 -2.973 216 HB3 ASP 27 HB3 ASP 27 -2.068 17.424 -2.343 217 H GLN 28 H GLN 28 -3.520 20.911 -0.498 218 HA GLN 28 HA GLN 28 -1.834 23.079 -1.492 219 HB2 GLN 28 HB2 GLN 28 -4.754 22.791 -0.899 220 HB3 GLN 28 HB3 GLN 28 -4.035 24.396 -0.947 221 HG2 GLN 28 HG2 GLN 28 -3.438 24.172 -3.213 222 HG3 GLN 28 HG3 GLN 28 -3.747 22.437 -3.201 223 HE21 GLN 28 HE21 GLN 28 -5.218 22.456 -4.850 224 HE22 GLN 28 HE22 GLN 28 -6.783 23.175 -4.718 225 H LEU 29 H LEU 29 -1.779 21.550 1.232 226 HA LEU 29 HA LEU 29 -1.381 23.979 2.830 227 HB2 LEU 29 HB2 LEU 29 -3.084 21.624 3.464 228 HB3 LEU 29 HB3 LEU 29 -2.196 22.392 4.778 229 HG LEU 29 HG LEU 29 -4.098 23.872 2.969 230 HD11 LEU 29 HD11 LEU 29 -5.835 23.120 4.124 231 HD12 LEU 29 HD12 LEU 29 -5.043 23.484 5.656 232 HD13 LEU 29 HD13 LEU 29 -4.765 21.932 4.867 233 HD21 LEU 29 HD21 LEU 29 -3.028 25.592 3.933 234 HD22 LEU 29 HD22 LEU 29 -2.334 24.581 5.201 235 HD23 LEU 29 HD23 LEU 29 -3.987 25.179 5.354 236 H ASN 30 H ASN 30 0.849 23.511 2.142 237 HA ASN 30 HA ASN 30 2.280 21.220 2.740 238 HB2 ASN 30 HB2 ASN 30 3.334 22.883 1.410 239 HB3 ASN 30 HB3 ASN 30 3.122 24.115 2.651 240 HD21 ASN 30 HD21 ASN 30 5.366 24.538 2.490 241 HD22 ASN 30 HD22 ASN 30 6.516 23.510 3.268 242 H ILE 31 H ILE 31 2.694 20.219 4.587 243 HA ILE 31 HA ILE 31 2.030 21.326 7.113 244 HB ILE 31 HB ILE 31 3.651 18.860 6.467 245 HG12 ILE 31 HG12 ILE 31 1.119 18.197 7.498 246 HG13 ILE 31 HG13 ILE 31 0.831 19.464 6.310 247 HG21 ILE 31 HG21 ILE 31 4.189 19.119 8.658 248 HG22 ILE 31 HG22 ILE 31 2.750 20.073 9.014 249 HG23 ILE 31 HG23 ILE 31 2.631 18.320 8.864 250 HD11 ILE 31 HD11 ILE 31 0.951 16.866 5.702 251 HD12 ILE 31 HD12 ILE 31 1.402 18.147 4.576 252 HD13 ILE 31 HD13 ILE 31 2.648 17.295 5.488 253 H LYS 32 H LYS 32 5.099 20.751 5.446 254 HA LYS 32 HA LYS 32 6.915 21.304 7.422 255 HB2 LYS 32 HB2 LYS 32 7.612 20.619 5.206 256 HB3 LYS 32 HB3 LYS 32 7.012 22.119 4.513 257 HG2 LYS 32 HG2 LYS 32 8.904 22.645 6.621 258 HG3 LYS 32 HG3 LYS 32 9.595 21.583 5.392 259 HD2 LYS 32 HD2 LYS 32 8.121 24.097 4.663 260 HD3 LYS 32 HD3 LYS 32 9.841 24.111 5.058 261 HE2 LYS 32 HE2 LYS 32 10.362 22.687 3.239 262 HE3 LYS 32 HE3 LYS 32 8.665 22.295 2.968 263 HZ1 LYS 32 HZ1 LYS 32 10.166 24.365 1.832 264 HZ2 LYS 32 HZ2 LYS 32 8.964 25.071 2.790 265 HZ3 LYS 32 HZ3 LYS 32 8.540 23.984 1.565 266 H ASP 33 H ASP 33 5.170 23.639 5.403 267 HA ASP 33 HA ASP 33 6.341 25.874 6.839 268 HB2 ASP 33 HB2 ASP 33 6.070 26.273 4.519 269 HB3 ASP 33 HB3 ASP 33 4.417 25.665 4.528 270 H ASP 34 H ASP 34 3.039 24.680 6.212 271 HA ASP 34 HA ASP 34 1.602 26.359 7.823 272 HB2 ASP 34 HB2 ASP 34 0.607 24.618 6.377 273 HB3 ASP 34 HB3 ASP 34 1.135 23.385 7.518 274 H LEU 35 H LEU 35 2.921 23.208 8.855 275 HA LEU 35 HA LEU 35 2.410 23.814 11.628 276 HB2 LEU 35 HB2 LEU 35 3.579 21.498 10.143 277 HB3 LEU 35 HB3 LEU 35 3.776 21.617 11.890 278 HG LEU 35 HG LEU 35 1.916 20.157 11.300 279 HD11 LEU 35 HD11 LEU 35 0.283 21.086 12.764 280 HD12 LEU 35 HD12 LEU 35 0.865 22.724 12.471 281 HD13 LEU 35 HD13 LEU 35 1.870 21.578 13.358 282 HD21 LEU 35 HD21 LEU 35 0.220 22.362 10.332 283 HD22 LEU 35 HD22 LEU 35 0.271 20.667 9.846 284 HD23 LEU 35 HD23 LEU 35 1.464 21.803 9.214 285 H ASN 36 H ASN 36 4.955 24.314 9.416 286 HA ASN 36 HA ASN 36 7.003 25.285 9.628 287 HB2 ASN 36 HB2 ASN 36 5.546 26.502 11.547 288 HB3 ASN 36 HB3 ASN 36 6.776 25.736 12.548 289 HD21 ASN 36 HD21 ASN 36 8.198 27.228 13.078 290 HD22 ASN 36 HD22 ASN 36 8.932 28.359 11.998 291 H ALA 37 H ALA 37 6.579 22.439 10.092 292 HA ALA 37 HA ALA 37 7.928 21.294 12.176 293 HB1 ALA 37 HB1 ALA 37 8.353 20.270 9.394 294 HB2 ALA 37 HB2 ALA 37 8.123 19.368 10.893 295 HB3 ALA 37 HB3 ALA 37 6.760 20.206 10.150 296 H ASP 38 H ASP 38 9.990 21.093 12.838 297 HA ASP 38 HA ASP 38 11.975 22.842 11.918 298 HB2 ASP 38 HB2 ASP 38 11.743 20.749 13.934 299 HB3 ASP 38 HB3 ASP 38 13.353 20.815 13.220 300 H SER 39 H SER 39 14.298 21.788 11.474 301 HA SER 39 HA SER 39 14.023 20.531 8.886 302 HB2 SER 39 HB2 SER 39 16.615 21.179 10.290 303 HB3 SER 39 HB3 SER 39 16.321 21.035 8.557 304 HG SER 39 HG SER 39 16.454 23.234 9.473 305 H ILE 40 H ILE 40 15.661 19.762 11.951 306 HA ILE 40 HA ILE 40 16.748 17.317 11.304 307 HB ILE 40 HB ILE 40 15.489 18.072 13.944 308 HG12 ILE 40 HG12 ILE 40 17.184 19.685 13.224 309 HG13 ILE 40 HG13 ILE 40 17.772 18.736 14.585 310 HG21 ILE 40 HG21 ILE 40 16.619 15.628 13.061 311 HG22 ILE 40 HG22 ILE 40 17.734 16.354 14.216 312 HG23 ILE 40 HG23 ILE 40 16.058 16.057 14.676 313 HD11 ILE 40 HD11 ILE 40 18.594 17.340 12.323 314 HD12 ILE 40 HD12 ILE 40 18.874 19.042 11.951 315 HD13 ILE 40 HD13 ILE 40 19.589 18.325 13.395 316 H SER 41 H SER 41 13.468 17.987 12.490 317 HA SER 41 HA SER 41 12.514 15.416 12.759 318 HB2 SER 41 HB2 SER 41 10.746 17.490 11.516 319 HB3 SER 41 HB3 SER 41 10.382 16.330 12.793 320 HG SER 41 HG SER 41 11.166 18.862 13.034 321 H VAL 42 H VAL 42 12.988 17.293 9.834 322 HA VAL 42 HA VAL 42 11.525 15.764 8.023 323 HB VAL 42 HB VAL 42 14.157 17.138 7.467 324 HG11 VAL 42 HG11 VAL 42 12.645 17.427 5.239 325 HG12 VAL 42 HG12 VAL 42 13.826 16.138 5.478 326 HG13 VAL 42 HG13 VAL 42 12.117 15.840 5.796 327 HG21 VAL 42 HG21 VAL 42 11.904 18.667 6.642 328 HG22 VAL 42 HG22 VAL 42 11.700 18.245 8.342 329 HG23 VAL 42 HG23 VAL 42 13.154 19.089 7.812 330 H MET 43 H MET 43 14.789 15.303 9.283 331 HA MET 43 HA MET 43 15.583 13.231 7.564 332 HB2 MET 43 HB2 MET 43 16.697 14.606 9.717 333 HB3 MET 43 HB3 MET 43 16.635 12.932 10.254 334 HG2 MET 43 HG2 MET 43 18.210 12.264 8.797 335 HG3 MET 43 HG3 MET 43 17.656 13.355 7.530 336 HE1 MET 43 HE1 MET 43 20.242 12.346 9.654 337 HE2 MET 43 HE2 MET 43 21.004 12.972 8.192 338 HE3 MET 43 HE3 MET 43 21.380 13.690 9.759 339 H GLU 44 H GLU 44 13.474 13.270 10.313 340 HA GLU 44 HA GLU 44 13.538 10.390 10.649 341 HB2 GLU 44 HB2 GLU 44 11.760 12.461 11.949 342 HB3 GLU 44 HB3 GLU 44 11.882 10.771 12.416 343 HG2 GLU 44 HG2 GLU 44 14.357 12.413 12.394 344 HG3 GLU 44 HG3 GLU 44 13.193 12.654 13.696 345 H PHE 45 H PHE 45 11.125 12.835 9.710 346 HA PHE 45 HA PHE 45 9.051 11.087 9.076 347 HB2 PHE 45 HB2 PHE 45 9.681 13.744 7.774 348 HB3 PHE 45 HB3 PHE 45 8.125 12.922 7.741 349 HD1 PHE 45 HD1 PHE 45 7.725 12.058 10.458 350 HD2 PHE 45 HD2 PHE 45 9.439 15.672 9.003 351 HE1 PHE 45 HE1 PHE 45 7.077 13.199 12.539 352 HE2 PHE 45 HE2 PHE 45 8.795 16.818 11.082 353 HZ PHE 45 HZ PHE 45 7.613 15.582 12.854 354 H VAL 46 H VAL 46 11.718 12.279 7.086 355 HA VAL 46 HA VAL 46 10.852 11.120 4.655 356 HB VAL 46 HB VAL 46 12.567 12.933 4.847 357 HG11 VAL 46 HG11 VAL 46 13.794 11.633 6.710 358 HG12 VAL 46 HG12 VAL 46 14.584 10.783 5.380 359 HG13 VAL 46 HG13 VAL 46 14.751 12.533 5.534 360 HG21 VAL 46 HG21 VAL 46 12.224 11.633 2.780 361 HG22 VAL 46 HG22 VAL 46 13.893 12.172 2.967 362 HG23 VAL 46 HG23 VAL 46 13.464 10.496 3.310 363 H LEU 47 H LEU 47 12.370 9.817 7.451 364 HA LEU 47 HA LEU 47 13.468 7.503 6.123 365 HB2 LEU 47 HB2 LEU 47 14.223 8.689 8.332 366 HB3 LEU 47 HB3 LEU 47 13.011 7.644 9.069 367 HG LEU 47 HG LEU 47 14.612 5.990 7.445 368 HD11 LEU 47 HD11 LEU 47 16.783 6.506 8.852 369 HD12 LEU 47 HD12 LEU 47 16.135 8.145 8.811 370 HD13 LEU 47 HD13 LEU 47 16.477 7.294 7.305 371 HD21 LEU 47 HD21 LEU 47 13.567 5.197 9.421 372 HD22 LEU 47 HD22 LEU 47 14.375 6.407 10.417 373 HD23 LEU 47 HD23 LEU 47 15.307 5.095 9.693 374 H GLU 48 H GLU 48 10.815 8.075 8.432 375 HA GLU 48 HA GLU 48 9.819 5.478 8.514 376 HB2 GLU 48 HB2 GLU 48 7.616 6.617 9.097 377 HB3 GLU 48 HB3 GLU 48 8.994 6.993 10.122 378 HG2 GLU 48 HG2 GLU 48 9.294 9.111 9.059 379 HG3 GLU 48 HG3 GLU 48 8.081 8.725 7.840 380 H LEU 49 H LEU 49 9.130 8.106 6.258 381 HA LEU 49 HA LEU 49 7.055 6.777 4.859 382 HB2 LEU 49 HB2 LEU 49 8.906 8.954 3.897 383 HB3 LEU 49 HB3 LEU 49 7.386 8.477 3.141 384 HG LEU 49 HG LEU 49 7.399 9.453 5.968 385 HD11 LEU 49 HD11 LEU 49 7.317 11.242 3.544 386 HD12 LEU 49 HD12 LEU 49 8.690 11.090 4.639 387 HD13 LEU 49 HD13 LEU 49 7.158 11.732 5.231 388 HD21 LEU 49 HD21 LEU 49 5.379 8.443 4.924 389 HD22 LEU 49 HD22 LEU 49 5.392 9.748 3.738 390 HD23 LEU 49 HD23 LEU 49 5.154 10.112 5.448 391 H GLU 50 H GLU 50 10.434 7.407 3.890 392 HA GLU 50 HA GLU 50 10.412 5.791 1.612 393 HB2 GLU 50 HB2 GLU 50 12.701 6.139 1.494 394 HB3 GLU 50 HB3 GLU 50 12.170 7.515 2.451 395 HG2 GLU 50 HG2 GLU 50 13.841 6.902 3.806 396 HG3 GLU 50 HG3 GLU 50 12.669 5.731 4.408 397 H ASP 51 H ASP 51 10.549 4.960 4.941 398 HA ASP 51 HA ASP 51 11.668 2.327 4.496 399 HB2 ASP 51 HB2 ASP 51 12.179 3.496 6.579 400 HB3 ASP 51 HB3 ASP 51 10.464 3.579 6.973 401 H GLU 52 H GLU 52 8.601 3.456 5.935 402 HA GLU 52 HA GLU 52 7.243 1.063 5.905 403 HB2 GLU 52 HB2 GLU 52 6.440 3.916 5.867 404 HB3 GLU 52 HB3 GLU 52 5.202 2.750 5.421 405 HG2 GLU 52 HG2 GLU 52 4.807 2.720 7.625 406 HG3 GLU 52 HG3 GLU 52 6.156 1.585 7.647 407 H PHE 53 H PHE 53 7.052 3.587 3.391 408 HA PHE 53 HA PHE 53 5.547 2.022 1.586 409 HB2 PHE 53 HB2 PHE 53 7.383 4.292 0.821 410 HB3 PHE 53 HB3 PHE 53 5.925 3.757 -0.007 411 HD1 PHE 53 HD1 PHE 53 4.153 3.456 2.410 412 HD2 PHE 53 HD2 PHE 53 6.841 6.538 1.230 413 HE1 PHE 53 HE1 PHE 53 2.829 5.094 3.683 414 HE2 PHE 53 HE2 PHE 53 5.523 8.180 2.501 415 HZ PHE 53 HZ PHE 53 3.513 7.460 3.729 416 H GLY 54 H GLY 54 8.951 2.257 2.244 417 HA2 GLY 54 HA2 GLY 54 10.682 0.899 1.553 418 HA3 GLY 54 HA3 GLY 54 9.502 -0.083 0.698 419 H THR 55 H THR 55 10.715 3.260 0.414 420 HA THR 55 HA THR 55 11.485 2.679 -2.354 421 HB THR 55 HB THR 55 9.224 3.715 -2.400 422 HG1 THR 55 HG1 THR 55 10.967 4.106 -4.024 423 HG21 THR 55 HG21 THR 55 9.447 5.107 -0.386 424 HG22 THR 55 HG22 THR 55 8.971 6.065 -1.788 425 HG23 THR 55 HG23 THR 55 10.638 6.107 -1.216 426 H GLU 56 H GLU 56 12.841 4.449 -3.290 427 HA GLU 56 HA GLU 56 14.648 5.468 -1.216 428 HB2 GLU 56 HB2 GLU 56 16.245 5.764 -3.140 429 HB3 GLU 56 HB3 GLU 56 15.792 4.101 -2.796 430 HG2 GLU 56 HG2 GLU 56 14.260 4.082 -4.650 431 HG3 GLU 56 HG3 GLU 56 14.553 5.793 -4.953 432 H ILE 57 H ILE 57 14.724 7.565 -0.768 433 HA ILE 57 HA ILE 57 13.539 9.449 -2.700 434 HB ILE 57 HB ILE 57 13.682 9.677 0.308 435 HG12 ILE 57 HG12 ILE 57 11.167 9.647 -1.324 436 HG13 ILE 57 HG13 ILE 57 11.958 8.129 -0.913 437 HG21 ILE 57 HG21 ILE 57 13.868 11.874 -0.378 438 HG22 ILE 57 HG22 ILE 57 12.900 11.613 -1.828 439 HG23 ILE 57 HG23 ILE 57 12.120 11.681 -0.248 440 HD11 ILE 57 HD11 ILE 57 10.733 8.197 0.940 441 HD12 ILE 57 HD12 ILE 57 11.865 9.431 1.494 442 HD13 ILE 57 HD13 ILE 57 10.349 9.905 0.729 443 H SER 58 H SER 58 14.850 10.914 -3.560 444 HA SER 58 HA SER 58 17.589 11.005 -3.130 445 HB2 SER 58 HB2 SER 58 15.618 12.629 -4.589 446 HB3 SER 58 HB3 SER 58 17.064 13.514 -4.104 447 HG SER 58 HG SER 58 17.530 12.602 -6.052 448 H ASP 59 H ASP 59 18.761 13.134 -2.530 449 HA ASP 59 HA ASP 59 18.112 13.680 0.226 450 HB2 ASP 59 HB2 ASP 59 20.460 13.636 -1.287 451 HB3 ASP 59 HB3 ASP 59 20.232 15.332 -0.867 452 H GLU 60 H GLU 60 18.441 15.618 -2.742 453 HA GLU 60 HA GLU 60 17.591 18.043 -1.530 454 HB2 GLU 60 HB2 GLU 60 17.362 18.853 -3.872 455 HB3 GLU 60 HB3 GLU 60 18.926 18.128 -3.530 456 HG2 GLU 60 HG2 GLU 60 17.639 15.973 -4.457 457 HG3 GLU 60 HG3 GLU 60 16.774 17.233 -5.334 458 H ASP 61 H ASP 61 15.944 15.648 -3.569 459 HA ASP 61 HA ASP 61 13.484 16.879 -3.832 460 HB2 ASP 61 HB2 ASP 61 14.247 13.970 -3.649 461 HB3 ASP 61 HB3 ASP 61 12.582 14.477 -3.918 462 H ALA 62 H ALA 62 14.519 14.635 -1.269 463 HA ALA 62 HA ALA 62 12.159 14.658 0.219 464 HB1 ALA 62 HB1 ALA 62 14.916 13.821 0.632 465 HB2 ALA 62 HB2 ALA 62 14.127 14.359 2.115 466 HB3 ALA 62 HB3 ALA 62 13.411 13.065 1.155 467 H GLU 63 H GLU 63 14.465 17.124 -0.247 468 HA GLU 63 HA GLU 63 13.908 18.513 2.229 469 HB2 GLU 63 HB2 GLU 63 16.047 18.529 0.559 470 HB3 GLU 63 HB3 GLU 63 15.210 19.977 0.020 471 HG2 GLU 63 HG2 GLU 63 15.119 20.492 2.592 472 HG3 GLU 63 HG3 GLU 63 16.493 19.388 2.635 473 H LYS 64 H LYS 64 12.478 18.253 -0.828 474 HA LYS 64 HA LYS 64 11.038 20.796 -0.465 475 HB2 LYS 64 HB2 LYS 64 11.033 19.226 -3.023 476 HB3 LYS 64 HB3 LYS 64 10.732 20.942 -2.780 477 HG2 LYS 64 HG2 LYS 64 13.166 21.129 -2.104 478 HG3 LYS 64 HG3 LYS 64 13.360 19.491 -2.735 479 HD2 LYS 64 HD2 LYS 64 12.102 20.606 -4.817 480 HD3 LYS 64 HD3 LYS 64 12.895 22.043 -4.166 481 HE2 LYS 64 HE2 LYS 64 15.044 21.054 -4.379 482 HE3 LYS 64 HE3 LYS 64 14.354 19.468 -4.716 483 HZ1 LYS 64 HZ1 LYS 64 14.790 20.095 -6.824 484 HZ2 LYS 64 HZ2 LYS 64 14.709 21.751 -6.486 485 HZ3 LYS 64 HZ3 LYS 64 13.286 20.859 -6.692 486 H ILE 65 H ILE 65 10.597 17.411 -1.459 487 HA ILE 65 HA ILE 65 7.759 17.517 -1.444 488 HB ILE 65 HB ILE 65 7.901 15.015 -1.414 489 HG12 ILE 65 HG12 ILE 65 10.760 14.960 -1.977 490 HG13 ILE 65 HG13 ILE 65 10.417 15.482 -0.331 491 HG21 ILE 65 HG21 ILE 65 8.755 14.836 -3.653 492 HG22 ILE 65 HG22 ILE 65 7.912 16.375 -3.489 493 HG23 ILE 65 HG23 ILE 65 9.674 16.329 -3.466 494 HD11 ILE 65 HD11 ILE 65 10.045 13.395 0.280 495 HD12 ILE 65 HD12 ILE 65 8.796 13.220 -0.954 496 HD13 ILE 65 HD13 ILE 65 10.479 12.867 -1.346 497 H GLU 66 H GLU 66 7.470 18.607 0.636 498 HA GLU 66 HA GLU 66 7.497 16.686 2.870 499 HB2 GLU 66 HB2 GLU 66 7.761 19.684 3.124 500 HB3 GLU 66 HB3 GLU 66 7.893 18.496 4.413 501 HG2 GLU 66 HG2 GLU 66 9.857 17.558 3.011 502 HG3 GLU 66 HG3 GLU 66 9.828 19.139 2.233 503 H THR 67 H THR 67 5.605 18.430 0.782 504 HA THR 67 HA THR 67 3.450 18.980 2.655 505 HB THR 67 HB THR 67 2.447 20.242 1.020 506 HG1 THR 67 HG1 THR 67 2.299 19.629 -1.048 507 HG21 THR 67 HG21 THR 67 4.931 20.877 1.398 508 HG22 THR 67 HG22 THR 67 4.059 21.619 0.057 509 HG23 THR 67 HG23 THR 67 5.165 20.280 -0.244 510 H VAL 68 H VAL 68 1.283 18.157 2.299 511 HA VAL 68 HA VAL 68 1.081 15.418 2.243 512 HB VAL 68 HB VAL 68 -1.095 17.315 1.353 513 HG11 VAL 68 HG11 VAL 68 -2.485 15.575 1.351 514 HG12 VAL 68 HG12 VAL 68 -1.056 14.541 1.425 515 HG13 VAL 68 HG13 VAL 68 -1.888 15.007 2.910 516 HG21 VAL 68 HG21 VAL 68 -0.295 18.112 3.446 517 HG22 VAL 68 HG22 VAL 68 -1.776 17.212 3.772 518 HG23 VAL 68 HG23 VAL 68 -0.207 16.479 4.107 519 H GLY 69 H GLY 69 0.675 17.679 -0.459 520 HA2 GLY 69 HA2 GLY 69 0.098 15.556 -2.331 521 HA3 GLY 69 HA3 GLY 69 0.302 17.260 -2.712 522 H ALA 70 H ALA 70 2.817 17.787 -1.794 523 HA ALA 70 HA ALA 70 4.444 16.864 -3.872 524 HB1 ALA 70 HB1 ALA 70 5.470 17.912 -1.246 525 HB2 ALA 70 HB2 ALA 70 6.222 18.031 -2.837 526 HB3 ALA 70 HB3 ALA 70 4.758 18.948 -2.483 527 H ALA 71 H ALA 71 3.573 15.371 -0.930 528 HA ALA 71 HA ALA 71 5.905 13.648 -0.813 529 HB1 ALA 71 HB1 ALA 71 5.181 14.104 1.323 530 HB2 ALA 71 HB2 ALA 71 3.476 14.030 0.878 531 HB3 ALA 71 HB3 ALA 71 4.414 12.544 1.024 532 H VAL 72 H VAL 72 2.404 12.956 -0.901 533 HA VAL 72 HA VAL 72 2.614 10.310 -1.721 534 HB VAL 72 HB VAL 72 0.525 11.217 -0.875 535 HG11 VAL 72 HG11 VAL 72 0.895 13.426 -2.178 536 HG12 VAL 72 HG12 VAL 72 0.027 12.606 -3.478 537 HG13 VAL 72 HG13 VAL 72 -0.750 12.849 -1.913 538 HG21 VAL 72 HG21 VAL 72 -0.284 10.485 -3.623 539 HG22 VAL 72 HG22 VAL 72 0.747 9.338 -2.768 540 HG23 VAL 72 HG23 VAL 72 -0.800 9.821 -2.073 541 H ASP 73 H ASP 73 2.464 13.266 -3.639 542 HA ASP 73 HA ASP 73 2.199 12.031 -6.164 543 HB2 ASP 73 HB2 ASP 73 1.708 14.402 -5.824 544 HB3 ASP 73 HB3 ASP 73 3.400 14.713 -5.442 545 H TYR 74 H TYR 74 4.897 12.503 -4.057 546 HA TYR 74 HA TYR 74 6.850 11.983 -6.148 547 HB2 TYR 74 HB2 TYR 74 7.333 13.623 -4.349 548 HB3 TYR 74 HB3 TYR 74 7.260 12.320 -3.169 549 HD1 TYR 74 HD2 TYR 74 9.079 13.381 -6.242 550 HD2 TYR 74 HD1 TYR 74 9.189 11.130 -2.633 551 HE1 TYR 74 HE2 TYR 74 11.469 12.927 -6.605 552 HE2 TYR 74 HE1 TYR 74 11.579 10.671 -2.986 553 HH TYR 74 HH TYR 74 13.407 12.257 -5.478 554 H ILE 75 H ILE 75 5.833 10.469 -3.087 555 HA ILE 75 HA ILE 75 7.385 8.162 -3.282 556 HB ILE 75 HB ILE 75 4.649 8.399 -2.025 557 HG12 ILE 75 HG12 ILE 75 6.187 10.100 -1.167 558 HG13 ILE 75 HG13 ILE 75 5.876 8.873 0.057 559 HG21 ILE 75 HG21 ILE 75 4.876 6.305 -1.312 560 HG22 ILE 75 HG22 ILE 75 6.243 6.151 -2.414 561 HG23 ILE 75 HG23 ILE 75 6.513 6.614 -0.734 562 HD11 ILE 75 HD11 ILE 75 8.067 8.704 0.303 563 HD12 ILE 75 HD12 ILE 75 8.129 7.974 -1.302 564 HD13 ILE 75 HD13 ILE 75 8.363 9.712 -1.113 565 H VAL 76 H VAL 76 4.141 8.840 -4.523 566 HA VAL 76 HA VAL 76 3.690 6.211 -5.525 567 HB VAL 76 HB VAL 76 2.367 8.831 -6.239 568 HG11 VAL 76 HG11 VAL 76 1.971 7.409 -8.074 569 HG12 VAL 76 HG12 VAL 76 1.734 6.002 -7.035 570 HG13 VAL 76 HG13 VAL 76 0.527 7.289 -7.068 571 HG21 VAL 76 HG21 VAL 76 1.340 6.590 -4.508 572 HG22 VAL 76 HG22 VAL 76 2.154 8.021 -3.875 573 HG23 VAL 76 HG23 VAL 76 0.627 8.186 -4.741 574 H SER 77 H SER 77 4.295 9.285 -7.238 575 HA SER 77 HA SER 77 4.601 8.275 -9.785 576 HB2 SER 77 HB2 SER 77 5.997 10.622 -8.484 577 HB3 SER 77 HB3 SER 77 6.039 10.290 -10.216 578 HG SER 77 HG SER 77 4.078 11.034 -10.396 579 H ASN 78 H ASN 78 6.839 8.206 -7.114 580 HA ASN 78 HA ASN 78 9.061 7.341 -8.759 581 HB2 ASN 78 HB2 ASN 78 9.550 8.750 -6.846 582 HB3 ASN 78 HB3 ASN 78 8.762 7.608 -5.761 583 HD21 ASN 78 HD21 ASN 78 11.640 8.495 -7.305 584 HD22 ASN 78 HD22 ASN 78 12.609 7.157 -6.796 585 H SER 79 H SER 79 6.714 5.941 -6.550 586 HA SER 79 HA SER 79 7.834 3.433 -6.151 587 HB2 SER 79 HB2 SER 79 5.247 4.663 -5.801 588 HB3 SER 79 HB3 SER 79 5.060 3.015 -6.399 589 HG SER 79 HG SER 79 6.334 2.302 -4.666 Start of MODEL 16 1 H1 MET 1 H MET 1 2.654 0.467 1.126 2 HA MET 1 HA MET 1 3.221 -0.366 -0.925 3 HB2 MET 1 HB2 MET 1 1.793 -2.163 -0.012 4 HB3 MET 1 HB3 MET 1 0.391 -1.419 -0.770 5 HG2 MET 1 HG2 MET 1 2.551 -1.905 -2.648 6 HG3 MET 1 HG3 MET 1 1.990 -3.374 -1.854 7 HE1 MET 1 HE1 MET 1 1.278 -3.715 -4.959 8 HE2 MET 1 HE2 MET 1 0.466 -2.285 -5.596 9 HE3 MET 1 HE3 MET 1 2.043 -2.132 -4.821 10 H THR 2 H THR 2 -0.234 0.373 -1.406 11 HA THR 2 HA THR 2 0.390 1.566 -3.983 12 HB THR 2 HB THR 2 -1.556 0.034 -3.740 13 HG1 THR 2 HG1 THR 2 -3.082 1.747 -4.686 14 HG21 THR 2 HG21 THR 2 -2.091 1.388 -1.440 15 HG22 THR 2 HG22 THR 2 -3.254 0.376 -2.297 16 HG23 THR 2 HG23 THR 2 -3.249 2.121 -2.549 17 H ARG 3 H ARG 3 -0.982 3.597 -4.522 18 HA ARG 3 HA ARG 3 0.005 5.741 -3.028 19 HB2 ARG 3 HB2 ARG 3 -1.532 7.140 -4.358 20 HB3 ARG 3 HB3 ARG 3 -0.644 5.994 -5.354 21 HG2 ARG 3 HG2 ARG 3 -2.681 4.498 -5.210 22 HG3 ARG 3 HG3 ARG 3 -3.527 5.888 -4.527 23 HD2 ARG 3 HD2 ARG 3 -2.360 6.998 -6.714 24 HD3 ARG 3 HD3 ARG 3 -2.670 5.359 -7.287 25 HE ARG 3 HE ARG 3 -4.901 5.848 -7.340 26 HH11 ARG 3 HH11 ARG 3 -3.280 8.197 -5.346 27 HH12 ARG 3 HH12 ARG 3 -4.685 9.192 -5.149 28 HH21 ARG 3 HH21 ARG 3 -6.757 7.149 -7.088 29 HH22 ARG 3 HH22 ARG 3 -6.663 8.594 -6.140 30 H GLU 4 H GLU 4 -3.067 4.036 -2.868 31 HA GLU 4 HA GLU 4 -4.423 5.845 -1.188 32 HB2 GLU 4 HB2 GLU 4 -4.914 3.282 -2.333 33 HB3 GLU 4 HB3 GLU 4 -5.270 3.185 -0.614 34 HG2 GLU 4 HG2 GLU 4 -6.498 5.501 -1.220 35 HG3 GLU 4 HG3 GLU 4 -6.652 4.650 -2.756 36 H GLU 5 H GLU 5 -2.977 2.701 -0.306 37 HA GLU 5 HA GLU 5 -3.173 2.929 2.432 38 HB2 GLU 5 HB2 GLU 5 -1.936 1.177 0.627 39 HB3 GLU 5 HB3 GLU 5 -0.656 1.699 1.713 40 HG2 GLU 5 HG2 GLU 5 -1.610 -0.288 2.601 41 HG3 GLU 5 HG3 GLU 5 -2.103 1.057 3.629 42 H VAL 6 H VAL 6 -0.534 4.046 0.339 43 HA VAL 6 HA VAL 6 1.146 5.003 2.380 44 HB VAL 6 HB VAL 6 0.904 5.944 -0.481 45 HG11 VAL 6 HG11 VAL 6 3.516 6.300 0.517 46 HG12 VAL 6 HG12 VAL 6 2.361 7.540 0.027 47 HG13 VAL 6 HG13 VAL 6 2.415 6.997 1.704 48 HG21 VAL 6 HG21 VAL 6 3.076 4.183 0.566 49 HG22 VAL 6 HG22 VAL 6 1.514 3.482 0.144 50 HG23 VAL 6 HG23 VAL 6 2.453 4.342 -1.076 51 H LEU 7 H LEU 7 -1.150 6.765 0.298 52 HA LEU 7 HA LEU 7 -0.837 9.290 1.392 53 HB2 LEU 7 HB2 LEU 7 -2.094 9.121 -0.577 54 HB3 LEU 7 HB3 LEU 7 -3.176 7.915 0.115 55 HG LEU 7 HG LEU 7 -3.224 10.571 1.401 56 HD11 LEU 7 HD11 LEU 7 -3.089 11.417 -0.785 57 HD12 LEU 7 HD12 LEU 7 -4.813 11.363 -0.418 58 HD13 LEU 7 HD13 LEU 7 -4.089 10.121 -1.440 59 HD21 LEU 7 HD21 LEU 7 -5.769 9.894 0.843 60 HD22 LEU 7 HD22 LEU 7 -4.897 9.330 2.268 61 HD23 LEU 7 HD23 LEU 7 -5.018 8.298 0.842 62 H GLN 8 H GLN 8 -3.051 6.700 2.392 63 HA GLN 8 HA GLN 8 -4.360 8.107 4.428 64 HB2 GLN 8 HB2 GLN 8 -3.867 5.188 3.925 65 HB3 GLN 8 HB3 GLN 8 -4.683 5.719 5.390 66 HG2 GLN 8 HG2 GLN 8 -6.419 6.776 4.076 67 HG3 GLN 8 HG3 GLN 8 -5.585 6.337 2.586 68 HE21 GLN 8 HE21 GLN 8 -4.998 3.858 2.630 69 HE22 GLN 8 HE22 GLN 8 -6.338 2.827 2.982 70 H LYS 9 H LYS 9 -1.755 5.693 4.790 71 HA LYS 9 HA LYS 9 -1.252 5.962 7.465 72 HB2 LYS 9 HB2 LYS 9 0.197 4.989 5.156 73 HB3 LYS 9 HB3 LYS 9 1.292 5.732 6.315 74 HG2 LYS 9 HG2 LYS 9 1.090 3.355 6.727 75 HG3 LYS 9 HG3 LYS 9 0.415 4.276 8.074 76 HD2 LYS 9 HD2 LYS 9 -1.566 3.679 6.032 77 HD3 LYS 9 HD3 LYS 9 -0.831 2.221 6.703 78 HE2 LYS 9 HE2 LYS 9 -1.832 2.495 8.692 79 HE3 LYS 9 HE3 LYS 9 -1.533 4.232 8.709 80 HZ1 LYS 9 HZ1 LYS 9 -3.931 2.923 8.201 81 HZ2 LYS 9 HZ2 LYS 9 -3.455 3.632 6.741 82 HZ3 LYS 9 HZ3 LYS 9 -3.625 4.585 8.129 83 H VAL 10 H VAL 10 0.529 7.725 4.921 84 HA VAL 10 HA VAL 10 2.015 9.401 6.512 85 HB VAL 10 HB VAL 10 0.756 10.028 3.839 86 HG11 VAL 10 HG11 VAL 10 2.526 11.751 3.650 87 HG12 VAL 10 HG12 VAL 10 1.350 12.100 4.918 88 HG13 VAL 10 HG13 VAL 10 2.941 11.466 5.339 89 HG21 VAL 10 HG21 VAL 10 3.479 9.669 3.526 90 HG22 VAL 10 HG22 VAL 10 3.022 8.422 4.686 91 HG23 VAL 10 HG23 VAL 10 2.219 8.504 3.119 92 H ALA 11 H ALA 11 -1.287 9.931 5.318 93 HA ALA 11 HA ALA 11 -1.637 12.494 6.427 94 HB1 ALA 11 HB1 ALA 11 -4.063 12.041 6.156 95 HB2 ALA 11 HB2 ALA 11 -3.115 11.706 4.706 96 HB3 ALA 11 HB3 ALA 11 -3.665 10.377 5.726 97 H LYS 12 H LYS 12 -2.142 9.264 7.734 98 HA LYS 12 HA LYS 12 -3.444 10.139 10.120 99 HB2 LYS 12 HB2 LYS 12 -3.309 7.761 8.928 100 HB3 LYS 12 HB3 LYS 12 -1.968 7.552 10.047 101 HG2 LYS 12 HG2 LYS 12 -3.678 8.363 11.829 102 HG3 LYS 12 HG3 LYS 12 -4.876 7.896 10.619 103 HD2 LYS 12 HD2 LYS 12 -4.683 5.920 11.750 104 HD3 LYS 12 HD3 LYS 12 -3.414 5.693 10.545 105 HE2 LYS 12 HE2 LYS 12 -1.745 5.890 12.070 106 HE3 LYS 12 HE3 LYS 12 -2.635 7.049 13.055 107 HZ1 LYS 12 HZ1 LYS 12 -2.262 4.398 13.609 108 HZ2 LYS 12 HZ2 LYS 12 -3.863 4.473 13.067 109 HZ3 LYS 12 HZ3 LYS 12 -3.365 5.432 14.369 110 H ILE 13 H ILE 13 -0.216 8.697 9.622 111 HA ILE 13 HA ILE 13 0.820 9.133 12.135 112 HB ILE 13 HB ILE 13 2.345 9.335 9.535 113 HG12 ILE 13 HG12 ILE 13 2.576 6.845 11.016 114 HG13 ILE 13 HG13 ILE 13 0.909 7.172 10.557 115 HG21 ILE 13 HG21 ILE 13 3.201 8.968 12.388 116 HG22 ILE 13 HG22 ILE 13 4.214 8.455 11.039 117 HG23 ILE 13 HG23 ILE 13 3.765 10.152 11.209 118 HD11 ILE 13 HD11 ILE 13 1.617 6.022 8.728 119 HD12 ILE 13 HD12 ILE 13 2.012 7.665 8.220 120 HD13 ILE 13 HD13 ILE 13 3.274 6.611 8.859 121 H ILE 14 H ILE 14 0.655 11.373 9.412 122 HA ILE 14 HA ILE 14 2.172 13.432 10.676 123 HB ILE 14 HB ILE 14 0.329 13.436 8.295 124 HG12 ILE 14 HG12 ILE 14 3.321 13.802 8.566 125 HG13 ILE 14 HG13 ILE 14 2.519 12.324 8.047 126 HG21 ILE 14 HG21 ILE 14 1.199 15.740 7.862 127 HG22 ILE 14 HG22 ILE 14 0.106 15.615 9.239 128 HG23 ILE 14 HG23 ILE 14 1.845 15.740 9.503 129 HD11 ILE 14 HD11 ILE 14 3.219 13.308 6.069 130 HD12 ILE 14 HD12 ILE 14 1.520 13.771 6.180 131 HD13 ILE 14 HD13 ILE 14 2.779 14.930 6.606 132 H SER 15 H SER 15 -1.300 12.863 10.208 133 HA SER 15 HA SER 15 -2.140 15.238 11.512 134 HB2 SER 15 HB2 SER 15 -3.691 14.201 10.030 135 HB3 SER 15 HB3 SER 15 -3.559 12.652 10.862 136 HG SER 15 HG SER 15 -4.971 13.301 12.283 137 H ASN 16 H ASN 16 -0.888 12.307 12.676 138 HA ASN 16 HA ASN 16 -2.133 12.600 15.304 139 HB2 ASN 16 HB2 ASN 16 -0.803 10.413 13.837 140 HB3 ASN 16 HB3 ASN 16 -0.448 10.475 15.561 141 HD21 ASN 16 HD21 ASN 16 -3.270 10.896 13.445 142 HD22 ASN 16 HD22 ASN 16 -4.334 9.913 14.388 143 H HIS 17 H HIS 17 1.079 12.533 13.801 144 HA HIS 17 HA HIS 17 2.519 13.036 16.189 145 HB2 HIS 17 HB2 HIS 17 3.551 12.065 14.166 146 HB3 HIS 17 HB3 HIS 17 3.329 13.598 13.328 147 HD1 HIS 17 HD1 HIS 17 5.827 11.769 15.056 148 HD2 HIS 17 HD2 HIS 17 4.753 15.780 14.893 149 HE1 HIS 17 HE1 HIS 17 7.844 13.039 15.858 150 H PHE 18 H PHE 18 1.425 15.155 13.557 151 HA PHE 18 HA PHE 18 2.258 17.500 15.086 152 HB2 PHE 18 HB2 PHE 18 1.119 17.284 12.291 153 HB3 PHE 18 HB3 PHE 18 1.702 18.765 13.043 154 HD1 PHE 18 HD1 PHE 18 4.110 19.035 13.531 155 HD2 PHE 18 HD2 PHE 18 2.610 15.709 11.339 156 HE1 PHE 18 HE1 PHE 18 6.378 18.563 12.701 157 HE2 PHE 18 HE2 PHE 18 4.875 15.231 10.507 158 HZ PHE 18 HZ PHE 18 6.763 16.659 11.188 159 H ASP 19 H ASP 19 0.542 19.421 14.548 160 HA ASP 19 HA ASP 19 -1.935 18.508 15.823 161 HB2 ASP 19 HB2 ASP 19 -0.866 21.322 15.525 162 HB3 ASP 19 HB3 ASP 19 -2.266 20.834 16.475 163 H ILE 20 H ILE 20 -1.203 18.404 12.882 164 HA ILE 20 HA ILE 20 -3.027 20.265 11.639 165 HB ILE 20 HB ILE 20 -0.883 19.392 10.581 166 HG12 ILE 20 HG12 ILE 20 -3.387 19.037 8.925 167 HG13 ILE 20 HG13 ILE 20 -2.742 20.607 9.392 168 HG21 ILE 20 HG21 ILE 20 -0.978 17.277 9.416 169 HG22 ILE 20 HG22 ILE 20 -1.276 17.020 11.134 170 HG23 ILE 20 HG23 ILE 20 -2.621 16.999 9.993 171 HD11 ILE 20 HD11 ILE 20 -2.184 19.527 7.067 172 HD12 ILE 20 HD12 ILE 20 -0.980 20.461 7.956 173 HD13 ILE 20 HD13 ILE 20 -0.941 18.698 8.005 174 H GLU 21 H GLU 21 -4.784 19.537 10.222 175 HA GLU 21 HA GLU 21 -6.352 17.472 11.547 176 HB2 GLU 21 HB2 GLU 21 -6.926 19.824 9.869 177 HB3 GLU 21 HB3 GLU 21 -7.965 18.437 9.573 178 HG2 GLU 21 HG2 GLU 21 -7.500 19.666 12.279 179 HG3 GLU 21 HG3 GLU 21 -8.866 20.038 11.230 180 H ALA 22 H ALA 22 -6.582 15.481 10.779 181 HA ALA 22 HA ALA 22 -5.196 14.502 8.568 182 HB1 ALA 22 HB1 ALA 22 -5.770 12.570 9.492 183 HB2 ALA 22 HB2 ALA 22 -6.825 13.438 10.609 184 HB3 ALA 22 HB3 ALA 22 -7.463 12.842 9.077 185 H ASP 23 H ASP 23 -8.178 16.174 8.724 186 HA ASP 23 HA ASP 23 -9.025 15.233 6.088 187 HB2 ASP 23 HB2 ASP 23 -10.369 16.311 8.412 188 HB3 ASP 23 HB3 ASP 23 -10.796 17.222 6.967 189 H GLN 24 H GLN 24 -7.679 18.017 7.693 190 HA GLN 24 HA GLN 24 -8.106 19.799 5.471 191 HB2 GLN 24 HB2 GLN 24 -6.401 20.085 7.951 192 HB3 GLN 24 HB3 GLN 24 -6.687 21.364 6.778 193 HG2 GLN 24 HG2 GLN 24 -8.803 20.008 8.435 194 HG3 GLN 24 HG3 GLN 24 -8.097 21.590 8.761 195 HE21 GLN 24 HE21 GLN 24 -8.266 23.156 6.905 196 HE22 GLN 24 HE22 GLN 24 -9.766 23.190 6.049 197 H VAL 25 H VAL 25 -5.547 17.725 6.642 198 HA VAL 25 HA VAL 25 -3.305 18.655 5.407 199 HB VAL 25 HB VAL 25 -2.675 16.215 5.040 200 HG11 VAL 25 HG11 VAL 25 -3.493 17.365 7.682 201 HG12 VAL 25 HG12 VAL 25 -2.768 15.760 7.577 202 HG13 VAL 25 HG13 VAL 25 -1.877 17.170 7.004 203 HG21 VAL 25 HG21 VAL 25 -4.795 15.202 4.712 204 HG22 VAL 25 HG22 VAL 25 -4.188 14.605 6.256 205 HG23 VAL 25 HG23 VAL 25 -5.422 15.864 6.222 206 H THR 26 H THR 26 -3.094 19.431 3.415 207 HA THR 26 HA THR 26 -4.107 17.814 1.175 208 HB THR 26 HB THR 26 -5.613 19.708 1.405 209 HG1 THR 26 HG1 THR 26 -5.090 20.708 -0.716 210 HG21 THR 26 HG21 THR 26 -3.341 21.595 0.880 211 HG22 THR 26 HG22 THR 26 -3.773 21.138 2.528 212 HG23 THR 26 HG23 THR 26 -4.955 21.943 1.497 213 H ASP 27 H ASP 27 -3.008 18.285 -0.891 214 HA ASP 27 HA ASP 27 -0.211 18.169 -0.615 215 HB2 ASP 27 HB2 ASP 27 -0.130 18.186 -3.036 216 HB3 ASP 27 HB3 ASP 27 -1.481 17.186 -2.511 217 H GLN 28 H GLN 28 -2.339 20.820 -0.689 218 HA GLN 28 HA GLN 28 -0.240 22.683 -1.520 219 HB2 GLN 28 HB2 GLN 28 -3.205 22.797 -1.362 220 HB3 GLN 28 HB3 GLN 28 -2.329 24.300 -1.103 221 HG2 GLN 28 HG2 GLN 28 -1.100 23.645 -3.299 222 HG3 GLN 28 HG3 GLN 28 -2.502 22.607 -3.551 223 HE21 GLN 28 HE21 GLN 28 -4.523 23.539 -3.873 224 HE22 GLN 28 HE22 GLN 28 -4.710 25.204 -4.295 225 H LEU 29 H LEU 29 -0.567 21.190 1.144 226 HA LEU 29 HA LEU 29 -0.096 23.552 2.821 227 HB2 LEU 29 HB2 LEU 29 -1.956 21.268 3.353 228 HB3 LEU 29 HB3 LEU 29 -1.207 22.142 4.687 229 HG LEU 29 HG LEU 29 -3.023 23.328 2.588 230 HD11 LEU 29 HD11 LEU 29 -4.748 23.178 4.051 231 HD12 LEU 29 HD12 LEU 29 -3.705 23.286 5.469 232 HD13 LEU 29 HD13 LEU 29 -3.837 21.766 4.585 233 HD21 LEU 29 HD21 LEU 29 -2.094 25.269 3.148 234 HD22 LEU 29 HD22 LEU 29 -1.142 24.520 4.430 235 HD23 LEU 29 HD23 LEU 29 -2.791 25.055 4.754 236 H ASN 30 H ASN 30 2.135 22.906 2.296 237 HA ASN 30 HA ASN 30 3.272 20.465 3.044 238 HB2 ASN 30 HB2 ASN 30 4.454 22.054 1.625 239 HB3 ASN 30 HB3 ASN 30 4.531 23.215 2.947 240 HD21 ASN 30 HD21 ASN 30 6.857 22.910 2.115 241 HD22 ASN 30 HD22 ASN 30 7.807 21.759 2.986 242 H ILE 31 H ILE 31 3.447 19.560 4.975 243 HA ILE 31 HA ILE 31 2.802 20.851 7.387 244 HB ILE 31 HB ILE 31 4.338 18.287 6.955 245 HG12 ILE 31 HG12 ILE 31 1.851 17.623 7.889 246 HG13 ILE 31 HG13 ILE 31 1.489 19.020 6.882 247 HG21 ILE 31 HG21 ILE 31 4.780 19.103 9.169 248 HG22 ILE 31 HG22 ILE 31 3.068 19.425 9.439 249 HG23 ILE 31 HG23 ILE 31 3.637 17.764 9.281 250 HD11 ILE 31 HD11 ILE 31 1.958 17.928 4.971 251 HD12 ILE 31 HD12 ILE 31 3.259 16.984 5.698 252 HD13 ILE 31 HD13 ILE 31 1.578 16.517 5.958 253 H LYS 32 H LYS 32 5.878 20.229 5.799 254 HA LYS 32 HA LYS 32 7.693 20.710 7.791 255 HB2 LYS 32 HB2 LYS 32 8.369 20.098 5.537 256 HB3 LYS 32 HB3 LYS 32 7.810 21.647 4.919 257 HG2 LYS 32 HG2 LYS 32 9.808 21.769 7.080 258 HG3 LYS 32 HG3 LYS 32 10.366 21.119 5.537 259 HD2 LYS 32 HD2 LYS 32 9.262 23.182 4.488 260 HD3 LYS 32 HD3 LYS 32 9.218 23.831 6.130 261 HE2 LYS 32 HE2 LYS 32 11.818 22.777 5.635 262 HE3 LYS 32 HE3 LYS 32 11.373 23.827 4.289 263 HZ1 LYS 32 HZ1 LYS 32 11.165 24.626 7.139 264 HZ2 LYS 32 HZ2 LYS 32 10.981 25.619 5.782 265 HZ3 LYS 32 HZ3 LYS 32 12.500 24.976 6.160 266 H ASP 33 H ASP 33 6.204 23.183 5.701 267 HA ASP 33 HA ASP 33 7.253 25.303 7.381 268 HB2 ASP 33 HB2 ASP 33 6.039 25.103 4.709 269 HB3 ASP 33 HB3 ASP 33 5.571 26.540 5.613 270 H ASP 34 H ASP 34 4.049 24.127 6.373 271 HA ASP 34 HA ASP 34 2.413 25.826 7.754 272 HB2 ASP 34 HB2 ASP 34 1.736 23.900 6.248 273 HB3 ASP 34 HB3 ASP 34 1.938 22.847 7.645 274 H LEU 35 H LEU 35 3.682 22.747 9.036 275 HA LEU 35 HA LEU 35 2.880 23.493 11.721 276 HB2 LEU 35 HB2 LEU 35 3.988 21.046 10.429 277 HB3 LEU 35 HB3 LEU 35 4.146 21.236 12.174 278 HG LEU 35 HG LEU 35 2.201 19.858 11.467 279 HD11 LEU 35 HD11 LEU 35 2.027 20.737 13.619 280 HD12 LEU 35 HD12 LEU 35 0.517 21.211 12.843 281 HD13 LEU 35 HD13 LEU 35 1.818 22.387 13.031 282 HD21 LEU 35 HD21 LEU 35 0.234 21.048 10.557 283 HD22 LEU 35 HD22 LEU 35 1.590 20.994 9.431 284 HD23 LEU 35 HD23 LEU 35 1.241 22.477 10.321 285 H ASN 36 H ASN 36 5.617 23.813 9.740 286 HA ASN 36 HA ASN 36 7.681 24.699 10.103 287 HB2 ASN 36 HB2 ASN 36 6.116 25.984 11.914 288 HB3 ASN 36 HB3 ASN 36 7.287 25.219 12.984 289 HD21 ASN 36 HD21 ASN 36 9.564 25.301 11.494 290 HD22 ASN 36 HD22 ASN 36 10.032 26.942 11.226 291 H ALA 37 H ALA 37 7.029 21.875 10.646 292 HA ALA 37 HA ALA 37 8.229 20.762 12.846 293 HB1 ALA 37 HB1 ALA 37 7.017 19.562 10.998 294 HB2 ALA 37 HB2 ALA 37 8.518 19.628 10.073 295 HB3 ALA 37 HB3 ALA 37 8.463 18.753 11.603 296 H ASP 38 H ASP 38 10.285 20.185 13.455 297 HA ASP 38 HA ASP 38 12.411 21.835 12.618 298 HB2 ASP 38 HB2 ASP 38 12.332 19.325 14.292 299 HB3 ASP 38 HB3 ASP 38 13.819 20.219 13.992 300 H SER 39 H SER 39 14.615 20.787 12.028 301 HA SER 39 HA SER 39 14.243 19.511 9.473 302 HB2 SER 39 HB2 SER 39 17.006 19.649 10.332 303 HB3 SER 39 HB3 SER 39 16.213 20.470 8.988 304 HG SER 39 HG SER 39 17.143 21.768 10.828 305 H ILE 40 H ILE 40 15.884 18.666 12.513 306 HA ILE 40 HA ILE 40 16.888 16.192 11.846 307 HB ILE 40 HB ILE 40 15.664 16.984 14.492 308 HG12 ILE 40 HG12 ILE 40 17.438 18.511 13.777 309 HG13 ILE 40 HG13 ILE 40 17.979 17.528 15.133 310 HG21 ILE 40 HG21 ILE 40 17.813 15.159 14.776 311 HG22 ILE 40 HG22 ILE 40 16.119 14.935 15.206 312 HG23 ILE 40 HG23 ILE 40 16.686 14.490 13.597 313 HD11 ILE 40 HD11 ILE 40 19.120 16.039 13.493 314 HD12 ILE 40 HD12 ILE 40 18.708 17.206 12.236 315 HD13 ILE 40 HD13 ILE 40 19.760 17.680 13.570 316 H SER 41 H SER 41 13.627 16.969 13.009 317 HA SER 41 HA SER 41 12.582 14.436 13.283 318 HB2 SER 41 HB2 SER 41 10.945 16.616 12.019 319 HB3 SER 41 HB3 SER 41 10.457 15.414 13.214 320 HG SER 41 HG SER 41 12.023 16.557 14.633 321 H VAL 42 H VAL 42 13.118 16.287 10.347 322 HA VAL 42 HA VAL 42 11.637 14.813 8.525 323 HB VAL 42 HB VAL 42 14.349 16.047 8.024 324 HG11 VAL 42 HG11 VAL 42 12.894 16.350 5.743 325 HG12 VAL 42 HG12 VAL 42 14.060 15.057 6.030 326 HG13 VAL 42 HG13 VAL 42 12.341 14.774 6.309 327 HG21 VAL 42 HG21 VAL 42 12.994 18.004 7.235 328 HG22 VAL 42 HG22 VAL 42 11.582 17.239 7.965 329 HG23 VAL 42 HG23 VAL 42 12.943 17.724 8.976 330 H MET 43 H MET 43 14.846 14.176 9.849 331 HA MET 43 HA MET 43 15.538 12.039 8.160 332 HB2 MET 43 HB2 MET 43 16.888 13.398 10.009 333 HB3 MET 43 HB3 MET 43 16.440 12.015 10.998 334 HG2 MET 43 HG2 MET 43 18.549 11.500 10.135 335 HG3 MET 43 HG3 MET 43 17.412 10.567 9.166 336 HE1 MET 43 HE1 MET 43 19.522 10.200 8.030 337 HE2 MET 43 HE2 MET 43 19.000 10.567 6.385 338 HE3 MET 43 HE3 MET 43 20.433 11.351 7.052 339 H GLU 44 H GLU 44 13.393 12.247 10.865 340 HA GLU 44 HA GLU 44 13.305 9.379 11.280 341 HB2 GLU 44 HB2 GLU 44 11.702 11.638 12.489 342 HB3 GLU 44 HB3 GLU 44 11.523 9.947 12.937 343 HG2 GLU 44 HG2 GLU 44 13.758 9.869 13.788 344 HG3 GLU 44 HG3 GLU 44 14.094 11.489 13.178 345 H PHE 45 H PHE 45 11.043 11.908 10.199 346 HA PHE 45 HA PHE 45 8.905 10.236 9.558 347 HB2 PHE 45 HB2 PHE 45 9.692 12.834 8.221 348 HB3 PHE 45 HB3 PHE 45 8.104 12.078 8.145 349 HD1 PHE 45 HD1 PHE 45 7.345 11.376 10.733 350 HD2 PHE 45 HD2 PHE 45 9.711 14.704 9.532 351 HE1 PHE 45 HE1 PHE 45 6.670 12.585 12.767 352 HE2 PHE 45 HE2 PHE 45 9.041 15.918 11.565 353 HZ PHE 45 HZ PHE 45 7.519 14.859 13.186 354 H VAL 46 H VAL 46 11.698 11.224 7.638 355 HA VAL 46 HA VAL 46 10.832 10.045 5.206 356 HB VAL 46 HB VAL 46 12.599 11.798 5.364 357 HG11 VAL 46 HG11 VAL 46 14.522 9.616 6.086 358 HG12 VAL 46 HG12 VAL 46 14.753 11.365 6.137 359 HG13 VAL 46 HG13 VAL 46 13.723 10.574 7.331 360 HG21 VAL 46 HG21 VAL 46 13.473 9.265 3.980 361 HG22 VAL 46 HG22 VAL 46 12.295 10.414 3.348 362 HG23 VAL 46 HG23 VAL 46 13.972 10.907 3.576 363 H LEU 47 H LEU 47 12.225 8.770 8.078 364 HA LEU 47 HA LEU 47 13.275 6.382 6.846 365 HB2 LEU 47 HB2 LEU 47 14.085 7.563 8.995 366 HB3 LEU 47 HB3 LEU 47 12.751 6.717 9.777 367 HG LEU 47 HG LEU 47 13.804 4.578 8.836 368 HD11 LEU 47 HD11 LEU 47 15.362 6.106 7.380 369 HD12 LEU 47 HD12 LEU 47 15.950 4.580 8.039 370 HD13 LEU 47 HD13 LEU 47 16.363 6.100 8.832 371 HD21 LEU 47 HD21 LEU 47 14.351 4.343 10.971 372 HD22 LEU 47 HD22 LEU 47 14.275 6.092 11.190 373 HD23 LEU 47 HD23 LEU 47 15.793 5.326 10.717 374 H GLU 48 H GLU 48 10.556 7.152 9.010 375 HA GLU 48 HA GLU 48 9.471 4.590 9.178 376 HB2 GLU 48 HB2 GLU 48 7.308 5.791 9.672 377 HB3 GLU 48 HB3 GLU 48 8.675 6.257 10.675 378 HG2 GLU 48 HG2 GLU 48 9.003 8.254 9.325 379 HG3 GLU 48 HG3 GLU 48 7.657 7.784 8.289 380 H LEU 49 H LEU 49 8.908 7.157 6.809 381 HA LEU 49 HA LEU 49 6.870 5.801 5.381 382 HB2 LEU 49 HB2 LEU 49 8.766 7.916 4.374 383 HB3 LEU 49 HB3 LEU 49 7.227 7.457 3.650 384 HG LEU 49 HG LEU 49 7.287 8.516 6.444 385 HD11 LEU 49 HD11 LEU 49 7.297 10.751 5.761 386 HD12 LEU 49 HD12 LEU 49 7.083 10.329 4.062 387 HD13 LEU 49 HD13 LEU 49 8.623 10.013 4.862 388 HD21 LEU 49 HD21 LEU 49 5.247 7.522 5.300 389 HD22 LEU 49 HD22 LEU 49 5.271 8.944 4.256 390 HD23 LEU 49 HD23 LEU 49 5.060 9.131 5.997 391 H GLU 50 H GLU 50 10.311 6.326 4.591 392 HA GLU 50 HA GLU 50 10.364 4.687 2.322 393 HB2 GLU 50 HB2 GLU 50 12.640 5.026 2.296 394 HB3 GLU 50 HB3 GLU 50 12.124 6.374 3.299 395 HG2 GLU 50 HG2 GLU 50 13.791 5.623 4.614 396 HG3 GLU 50 HG3 GLU 50 12.514 4.567 5.216 397 H ASP 51 H ASP 51 10.325 3.905 5.672 398 HA ASP 51 HA ASP 51 11.375 1.230 5.310 399 HB2 ASP 51 HB2 ASP 51 11.839 2.412 7.396 400 HB3 ASP 51 HB3 ASP 51 10.113 2.560 7.717 401 H GLU 52 H GLU 52 8.290 2.478 6.606 402 HA GLU 52 HA GLU 52 6.861 0.122 6.543 403 HB2 GLU 52 HB2 GLU 52 5.941 2.966 6.133 404 HB3 GLU 52 HB3 GLU 52 4.825 1.614 6.270 405 HG2 GLU 52 HG2 GLU 52 6.846 1.875 8.404 406 HG3 GLU 52 HG3 GLU 52 5.587 3.108 8.346 407 H PHE 53 H PHE 53 6.863 2.635 4.010 408 HA PHE 53 HA PHE 53 5.364 1.119 2.158 409 HB2 PHE 53 HB2 PHE 53 7.311 3.337 1.508 410 HB3 PHE 53 HB3 PHE 53 5.931 2.815 0.548 411 HD1 PHE 53 HD1 PHE 53 3.932 2.546 2.781 412 HD2 PHE 53 HD2 PHE 53 6.764 5.589 1.864 413 HE1 PHE 53 HE1 PHE 53 2.514 4.204 3.919 414 HE2 PHE 53 HE2 PHE 53 5.351 7.251 3.001 415 HZ PHE 53 HZ PHE 53 3.223 6.560 4.031 416 H GLY 54 H GLY 54 8.747 1.219 2.948 417 HA2 GLY 54 HA2 GLY 54 10.445 -0.214 2.332 418 HA3 GLY 54 HA3 GLY 54 9.260 -1.150 1.433 419 H THR 55 H THR 55 10.621 2.139 1.189 420 HA THR 55 HA THR 55 11.492 1.513 -1.538 421 HB THR 55 HB THR 55 9.301 2.593 -1.779 422 HG1 THR 55 HG1 THR 55 11.239 4.526 -2.500 423 HG21 THR 55 HG21 THR 55 9.708 3.944 0.427 424 HG22 THR 55 HG22 THR 55 8.732 4.639 -0.867 425 HG23 THR 55 HG23 THR 55 10.412 5.135 -0.666 426 H GLU 56 H GLU 56 12.964 3.200 -2.419 427 HA GLU 56 HA GLU 56 14.730 4.146 -0.287 428 HB2 GLU 56 HB2 GLU 56 15.572 2.715 -2.204 429 HB3 GLU 56 HB3 GLU 56 15.300 4.103 -3.249 430 HG2 GLU 56 HG2 GLU 56 17.366 4.732 -2.767 431 HG3 GLU 56 HG3 GLU 56 16.779 5.132 -1.154 432 H ILE 57 H ILE 57 14.721 6.204 0.300 433 HA ILE 57 HA ILE 57 13.535 8.188 -1.512 434 HB ILE 57 HB ILE 57 14.018 8.326 1.466 435 HG12 ILE 57 HG12 ILE 57 11.470 8.106 -0.152 436 HG13 ILE 57 HG13 ILE 57 12.178 6.836 0.840 437 HG21 ILE 57 HG21 ILE 57 14.274 10.518 0.463 438 HG22 ILE 57 HG22 ILE 57 12.742 10.331 -0.389 439 HG23 ILE 57 HG23 ILE 57 12.765 10.439 1.371 440 HD11 ILE 57 HD11 ILE 57 10.385 7.786 2.060 441 HD12 ILE 57 HD12 ILE 57 11.879 8.344 2.813 442 HD13 ILE 57 HD13 ILE 57 10.965 9.424 1.761 443 H SER 58 H SER 58 14.918 9.366 -2.644 444 HA SER 58 HA SER 58 17.670 9.459 -2.296 445 HB2 SER 58 HB2 SER 58 15.978 11.622 -3.569 446 HB3 SER 58 HB3 SER 58 17.679 11.285 -3.889 447 HG SER 58 HG SER 58 17.143 9.537 -5.022 448 H ASP 59 H ASP 59 18.944 11.528 -1.918 449 HA ASP 59 HA ASP 59 18.292 12.490 0.723 450 HB2 ASP 59 HB2 ASP 59 20.647 11.933 -0.449 451 HB3 ASP 59 HB3 ASP 59 20.573 13.663 -0.771 452 H GLU 60 H GLU 60 18.793 13.959 -2.478 453 HA GLU 60 HA GLU 60 18.194 16.599 -1.684 454 HB2 GLU 60 HB2 GLU 60 17.845 16.998 -4.130 455 HB3 GLU 60 HB3 GLU 60 19.382 16.243 -3.732 456 HG2 GLU 60 HG2 GLU 60 17.892 14.052 -4.176 457 HG3 GLU 60 HG3 GLU 60 17.092 15.195 -5.254 458 H ASP 61 H ASP 61 16.195 14.107 -3.246 459 HA ASP 61 HA ASP 61 13.839 15.608 -3.430 460 HB2 ASP 61 HB2 ASP 61 14.123 12.616 -3.075 461 HB3 ASP 61 HB3 ASP 61 12.689 13.452 -3.665 462 H ALA 62 H ALA 62 15.265 13.870 -0.764 463 HA ALA 62 HA ALA 62 13.122 13.505 0.930 464 HB1 ALA 62 HB1 ALA 62 14.666 12.972 2.465 465 HB2 ALA 62 HB2 ALA 62 15.816 13.185 1.144 466 HB3 ALA 62 HB3 ALA 62 15.523 14.502 2.280 467 H GLU 63 H GLU 63 14.571 16.459 -0.092 468 HA GLU 63 HA GLU 63 13.433 18.012 2.082 469 HB2 GLU 63 HB2 GLU 63 15.670 18.404 0.697 470 HB3 GLU 63 HB3 GLU 63 14.578 19.305 -0.346 471 HG2 GLU 63 HG2 GLU 63 14.280 20.960 1.157 472 HG3 GLU 63 HG3 GLU 63 14.394 19.875 2.541 473 H LYS 64 H LYS 64 12.774 17.252 -1.265 474 HA LYS 64 HA LYS 64 10.496 19.099 -1.279 475 HB2 LYS 64 HB2 LYS 64 10.442 18.810 -3.673 476 HB3 LYS 64 HB3 LYS 64 12.092 19.172 -3.185 477 HG2 LYS 64 HG2 LYS 64 12.809 17.336 -4.184 478 HG3 LYS 64 HG3 LYS 64 11.754 16.349 -3.170 479 HD2 LYS 64 HD2 LYS 64 9.904 16.749 -4.751 480 HD3 LYS 64 HD3 LYS 64 11.003 17.674 -5.777 481 HE2 LYS 64 HE2 LYS 64 11.695 15.803 -6.751 482 HE3 LYS 64 HE3 LYS 64 12.208 15.161 -5.191 483 HZ1 LYS 64 HZ1 LYS 64 9.362 15.033 -5.672 484 HZ2 LYS 64 HZ2 LYS 64 10.408 13.861 -5.047 485 HZ3 LYS 64 HZ3 LYS 64 10.289 14.081 -6.720 486 H ILE 65 H ILE 65 10.424 16.699 0.300 487 HA ILE 65 HA ILE 65 8.021 15.520 -0.846 488 HB ILE 65 HB ILE 65 8.742 13.224 -0.422 489 HG12 ILE 65 HG12 ILE 65 11.568 13.536 -0.318 490 HG13 ILE 65 HG13 ILE 65 10.876 14.532 0.958 491 HG21 ILE 65 HG21 ILE 65 10.409 13.044 -2.268 492 HG22 ILE 65 HG22 ILE 65 8.997 14.023 -2.661 493 HG23 ILE 65 HG23 ILE 65 10.527 14.804 -2.263 494 HD11 ILE 65 HD11 ILE 65 10.564 12.743 2.213 495 HD12 ILE 65 HD12 ILE 65 9.581 11.994 0.954 496 HD13 ILE 65 HD13 ILE 65 11.329 11.760 0.965 497 H GLU 66 H GLU 66 8.448 17.304 1.342 498 HA GLU 66 HA GLU 66 7.842 15.588 3.655 499 HB2 GLU 66 HB2 GLU 66 8.697 18.488 3.631 500 HB3 GLU 66 HB3 GLU 66 8.447 17.492 5.058 501 HG2 GLU 66 HG2 GLU 66 10.486 16.858 2.945 502 HG3 GLU 66 HG3 GLU 66 10.833 17.837 4.369 503 H THR 67 H THR 67 6.062 16.606 1.406 504 HA THR 67 HA THR 67 4.027 17.872 3.124 505 HB THR 67 HB THR 67 3.350 19.294 1.467 506 HG1 THR 67 HG1 THR 67 3.773 18.786 -0.811 507 HG21 THR 67 HG21 THR 67 5.192 20.435 0.711 508 HG22 THR 67 HG22 THR 67 6.035 18.967 0.218 509 HG23 THR 67 HG23 THR 67 5.950 19.404 1.924 510 H VAL 68 H VAL 68 1.773 17.425 2.454 511 HA VAL 68 HA VAL 68 1.161 14.745 2.437 512 HB VAL 68 HB VAL 68 -0.568 16.894 1.206 513 HG11 VAL 68 HG11 VAL 68 -2.418 15.448 1.975 514 HG12 VAL 68 HG12 VAL 68 -1.392 14.663 0.772 515 HG13 VAL 68 HG13 VAL 68 -1.234 14.241 2.478 516 HG21 VAL 68 HG21 VAL 68 0.004 17.734 3.324 517 HG22 VAL 68 HG22 VAL 68 -1.560 16.952 3.556 518 HG23 VAL 68 HG23 VAL 68 -0.082 16.141 4.074 519 H GLY 69 H GLY 69 1.238 16.937 -0.372 520 HA2 GLY 69 HA2 GLY 69 0.751 14.761 -2.211 521 HA3 GLY 69 HA3 GLY 69 1.057 16.439 -2.634 522 H ALA 70 H ALA 70 3.502 16.863 -1.420 523 HA ALA 70 HA ALA 70 5.291 15.870 -3.321 524 HB1 ALA 70 HB1 ALA 70 6.919 17.078 -2.240 525 HB2 ALA 70 HB2 ALA 70 5.461 17.890 -1.667 526 HB3 ALA 70 HB3 ALA 70 6.279 16.715 -0.637 527 H ALA 71 H ALA 71 4.033 14.399 -0.510 528 HA ALA 71 HA ALA 71 6.244 12.546 -0.180 529 HB1 ALA 71 HB1 ALA 71 3.584 12.794 1.212 530 HB2 ALA 71 HB2 ALA 71 4.779 11.550 1.584 531 HB3 ALA 71 HB3 ALA 71 5.171 13.252 1.831 532 H VAL 72 H VAL 72 2.736 12.050 -0.616 533 HA VAL 72 HA VAL 72 2.879 9.405 -1.449 534 HB VAL 72 HB VAL 72 0.767 10.399 -0.807 535 HG11 VAL 72 HG11 VAL 72 1.359 12.629 -1.930 536 HG12 VAL 72 HG12 VAL 72 0.678 11.915 -3.393 537 HG13 VAL 72 HG13 VAL 72 -0.327 12.112 -1.956 538 HG21 VAL 72 HG21 VAL 72 0.316 9.761 -3.682 539 HG22 VAL 72 HG22 VAL 72 1.018 8.527 -2.635 540 HG23 VAL 72 HG23 VAL 72 -0.562 9.212 -2.254 541 H ASP 73 H ASP 73 3.020 12.378 -3.355 542 HA ASP 73 HA ASP 73 2.954 11.188 -5.902 543 HB2 ASP 73 HB2 ASP 73 2.664 13.644 -5.362 544 HB3 ASP 73 HB3 ASP 73 4.415 13.733 -5.189 545 H TYR 74 H TYR 74 5.465 11.457 -3.543 546 HA TYR 74 HA TYR 74 7.568 10.819 -5.448 547 HB2 TYR 74 HB2 TYR 74 8.004 12.411 -3.605 548 HB3 TYR 74 HB3 TYR 74 7.705 11.126 -2.440 549 HD1 TYR 74 HD2 TYR 74 9.891 11.956 -5.347 550 HD2 TYR 74 HD1 TYR 74 9.486 9.851 -1.672 551 HE1 TYR 74 HE2 TYR 74 12.262 11.310 -5.462 552 HE2 TYR 74 HE1 TYR 74 11.855 9.200 -1.776 553 HH TYR 74 HH TYR 74 13.987 10.426 -4.307 554 H ILE 75 H ILE 75 6.190 9.363 -2.502 555 HA ILE 75 HA ILE 75 7.588 6.953 -2.599 556 HB ILE 75 HB ILE 75 4.781 7.357 -1.561 557 HG12 ILE 75 HG12 ILE 75 6.370 8.974 -0.598 558 HG13 ILE 75 HG13 ILE 75 5.832 7.805 0.603 559 HG21 ILE 75 HG21 ILE 75 5.529 5.001 -1.858 560 HG22 ILE 75 HG22 ILE 75 6.849 5.328 -0.738 561 HG23 ILE 75 HG23 ILE 75 5.178 5.437 -0.186 562 HD11 ILE 75 HD11 ILE 75 7.930 7.287 1.046 563 HD12 ILE 75 HD12 ILE 75 8.187 6.807 -0.632 564 HD13 ILE 75 HD13 ILE 75 8.467 8.477 -0.139 565 H VAL 76 H VAL 76 4.496 7.858 -4.068 566 HA VAL 76 HA VAL 76 3.935 5.279 -5.129 567 HB VAL 76 HB VAL 76 2.884 7.992 -5.943 568 HG11 VAL 76 HG11 VAL 76 0.990 6.563 -6.890 569 HG12 VAL 76 HG12 VAL 76 2.499 6.618 -7.803 570 HG13 VAL 76 HG13 VAL 76 2.125 5.216 -6.800 571 HG21 VAL 76 HG21 VAL 76 0.989 7.504 -4.584 572 HG22 VAL 76 HG22 VAL 76 1.541 5.854 -4.299 573 HG23 VAL 76 HG23 VAL 76 2.424 7.212 -3.601 574 H SER 77 H SER 77 4.901 8.295 -6.780 575 HA SER 77 HA SER 77 5.344 7.250 -9.293 576 HB2 SER 77 HB2 SER 77 5.385 9.676 -8.702 577 HB3 SER 77 HB3 SER 77 6.984 9.440 -7.996 578 HG SER 77 HG SER 77 6.407 8.728 -10.670 579 H ASN 78 H ASN 78 7.340 7.041 -6.445 580 HA ASN 78 HA ASN 78 9.637 6.036 -7.892 581 HB2 ASN 78 HB2 ASN 78 9.790 7.439 -5.793 582 HB3 ASN 78 HB3 ASN 78 9.201 6.039 -4.902 583 HD21 ASN 78 HD21 ASN 78 10.470 4.042 -5.128 584 HD22 ASN 78 HD22 ASN 78 12.188 4.177 -5.259 585 H SER 79 H SER 79 7.042 4.771 -5.874 586 HA SER 79 HA SER 79 7.407 2.139 -6.979 587 HB2 SER 79 HB2 SER 79 8.632 2.785 -4.464 588 HB3 SER 79 HB3 SER 79 7.338 1.618 -4.195 589 HG SER 79 HG SER 79 9.143 0.450 -4.687 Start of MODEL 17 1 H1 MET 1 H MET 1 3.216 0.247 1.245 2 HA MET 1 HA MET 1 4.036 0.261 -1.079 3 HB2 MET 1 HB2 MET 1 1.522 -1.398 -0.900 4 HB3 MET 1 HB3 MET 1 2.954 -1.723 -1.868 5 HG2 MET 1 HG2 MET 1 4.249 -2.177 0.101 6 HG3 MET 1 HG3 MET 1 2.909 -1.693 1.139 7 HE1 MET 1 HE1 MET 1 0.335 -3.521 -0.595 8 HE2 MET 1 HE2 MET 1 0.364 -4.382 0.944 9 HE3 MET 1 HE3 MET 1 0.636 -2.639 0.903 10 H THR 2 H THR 2 0.471 0.236 -1.157 11 HA THR 2 HA THR 2 0.509 1.631 -3.701 12 HB THR 2 HB THR 2 -1.065 -0.256 -3.295 13 HG1 THR 2 HG1 THR 2 -2.997 1.177 -3.945 14 HG21 THR 2 HG21 THR 2 -2.940 1.447 -1.797 15 HG22 THR 2 HG22 THR 2 -1.536 0.897 -0.882 16 HG23 THR 2 HG23 THR 2 -2.606 -0.278 -1.647 17 H ARG 3 H ARG 3 -1.295 3.367 -3.944 18 HA ARG 3 HA ARG 3 -0.532 5.621 -2.481 19 HB2 ARG 3 HB2 ARG 3 -2.509 6.715 -3.502 20 HB3 ARG 3 HB3 ARG 3 -1.533 5.835 -4.670 21 HG2 ARG 3 HG2 ARG 3 -3.204 3.906 -4.254 22 HG3 ARG 3 HG3 ARG 3 -4.238 5.173 -3.592 23 HD2 ARG 3 HD2 ARG 3 -2.992 5.773 -6.192 24 HD3 ARG 3 HD3 ARG 3 -4.177 4.467 -6.201 25 HE ARG 3 HE ARG 3 -5.265 6.634 -4.808 26 HH11 ARG 3 HH11 ARG 3 -4.294 5.775 -8.039 27 HH12 ARG 3 HH12 ARG 3 -5.443 6.823 -8.803 28 HH21 ARG 3 HH21 ARG 3 -6.782 8.018 -5.802 29 HH22 ARG 3 HH22 ARG 3 -6.857 8.099 -7.529 30 H GLU 4 H GLU 4 -3.196 3.364 -2.021 31 HA GLU 4 HA GLU 4 -4.602 4.821 -0.067 32 HB2 GLU 4 HB2 GLU 4 -4.869 2.341 -1.344 33 HB3 GLU 4 HB3 GLU 4 -4.756 1.966 0.370 34 HG2 GLU 4 HG2 GLU 4 -6.547 3.750 0.703 35 HG3 GLU 4 HG3 GLU 4 -6.787 3.657 -1.041 36 H GLU 5 H GLU 5 -2.487 1.987 0.429 37 HA GLU 5 HA GLU 5 -2.332 2.077 3.175 38 HB2 GLU 5 HB2 GLU 5 -1.317 0.408 1.424 39 HB3 GLU 5 HB3 GLU 5 0.119 1.407 1.594 40 HG2 GLU 5 HG2 GLU 5 0.329 -0.437 3.076 41 HG3 GLU 5 HG3 GLU 5 0.033 1.005 4.046 42 H VAL 6 H VAL 6 -0.281 3.770 0.827 43 HA VAL 6 HA VAL 6 1.454 4.969 2.690 44 HB VAL 6 HB VAL 6 0.649 5.933 -0.058 45 HG11 VAL 6 HG11 VAL 6 3.255 6.768 0.618 46 HG12 VAL 6 HG12 VAL 6 1.827 7.770 0.351 47 HG13 VAL 6 HG13 VAL 6 2.212 7.196 1.974 48 HG21 VAL 6 HG21 VAL 6 2.146 4.512 -0.939 49 HG22 VAL 6 HG22 VAL 6 3.306 4.770 0.364 50 HG23 VAL 6 HG23 VAL 6 1.972 3.638 0.583 51 H LEU 7 H LEU 7 -1.382 6.330 1.009 52 HA LEU 7 HA LEU 7 -1.419 8.825 2.188 53 HB2 LEU 7 HB2 LEU 7 -2.900 8.467 0.415 54 HB3 LEU 7 HB3 LEU 7 -3.601 7.039 1.174 55 HG LEU 7 HG LEU 7 -4.011 9.527 2.673 56 HD11 LEU 7 HD11 LEU 7 -4.237 10.570 0.570 57 HD12 LEU 7 HD12 LEU 7 -5.876 10.201 1.104 58 HD13 LEU 7 HD13 LEU 7 -5.096 9.188 -0.110 59 HD21 LEU 7 HD21 LEU 7 -5.693 8.317 3.470 60 HD22 LEU 7 HD22 LEU 7 -5.135 6.975 2.471 61 HD23 LEU 7 HD23 LEU 7 -6.361 8.084 1.854 62 H GLN 8 H GLN 8 -2.979 5.846 3.341 63 HA GLN 8 HA GLN 8 -4.173 6.938 5.627 64 HB2 GLN 8 HB2 GLN 8 -3.361 4.181 4.800 65 HB3 GLN 8 HB3 GLN 8 -3.871 4.459 6.460 66 HG2 GLN 8 HG2 GLN 8 -5.720 5.676 4.632 67 HG3 GLN 8 HG3 GLN 8 -5.484 3.975 4.234 68 HE21 GLN 8 HE21 GLN 8 -5.500 5.704 7.326 69 HE22 GLN 8 HE22 GLN 8 -6.762 4.767 8.042 70 H LYS 9 H LYS 9 -1.191 4.983 5.459 71 HA LYS 9 HA LYS 9 -0.333 5.218 8.042 72 HB2 LYS 9 HB2 LYS 9 0.905 4.657 5.474 73 HB3 LYS 9 HB3 LYS 9 2.015 5.481 6.561 74 HG2 LYS 9 HG2 LYS 9 2.206 3.053 6.728 75 HG3 LYS 9 HG3 LYS 9 1.673 3.773 8.248 76 HD2 LYS 9 HD2 LYS 9 -0.517 3.006 6.465 77 HD3 LYS 9 HD3 LYS 9 0.481 1.651 6.997 78 HE2 LYS 9 HE2 LYS 9 -0.411 1.709 9.035 79 HE3 LYS 9 HE3 LYS 9 -0.082 3.434 9.191 80 HZ1 LYS 9 HZ1 LYS 9 -2.364 3.338 9.327 81 HZ2 LYS 9 HZ2 LYS 9 -2.504 2.095 8.189 82 HZ3 LYS 9 HZ3 LYS 9 -2.143 3.668 7.682 83 H VAL 10 H VAL 10 0.718 7.384 5.405 84 HA VAL 10 HA VAL 10 2.119 9.221 6.900 85 HB VAL 10 HB VAL 10 0.420 9.730 4.456 86 HG11 VAL 10 HG11 VAL 10 1.829 11.744 4.155 87 HG12 VAL 10 HG12 VAL 10 0.797 11.827 5.585 88 HG13 VAL 10 HG13 VAL 10 2.516 11.466 5.755 89 HG21 VAL 10 HG21 VAL 10 2.005 8.497 3.478 90 HG22 VAL 10 HG22 VAL 10 3.079 9.868 3.751 91 HG23 VAL 10 HG23 VAL 10 3.037 8.537 4.907 92 H ALA 11 H ALA 11 -1.356 9.223 6.169 93 HA ALA 11 HA ALA 11 -1.985 11.634 7.464 94 HB1 ALA 11 HB1 ALA 11 -3.760 9.226 7.076 95 HB2 ALA 11 HB2 ALA 11 -4.289 10.876 7.408 96 HB3 ALA 11 HB3 ALA 11 -3.486 10.498 5.884 97 H LYS 12 H LYS 12 -1.704 8.335 8.655 98 HA LYS 12 HA LYS 12 -2.773 8.907 11.246 99 HB2 LYS 12 HB2 LYS 12 -2.340 6.615 9.870 100 HB3 LYS 12 HB3 LYS 12 -0.943 6.605 10.938 101 HG2 LYS 12 HG2 LYS 12 -2.544 6.938 12.851 102 HG3 LYS 12 HG3 LYS 12 -3.849 6.633 11.702 103 HD2 LYS 12 HD2 LYS 12 -3.342 4.576 12.822 104 HD3 LYS 12 HD3 LYS 12 -2.765 4.452 11.159 105 HE2 LYS 12 HE2 LYS 12 -0.598 4.351 11.783 106 HE3 LYS 12 HE3 LYS 12 -0.817 5.496 13.106 107 HZ1 LYS 12 HZ1 LYS 12 -2.118 2.949 13.501 108 HZ2 LYS 12 HZ2 LYS 12 -1.168 3.857 14.566 109 HZ3 LYS 12 HZ3 LYS 12 -0.431 2.856 13.418 110 H ILE 13 H ILE 13 0.529 8.025 10.213 111 HA ILE 13 HA ILE 13 1.861 8.535 12.559 112 HB ILE 13 HB ILE 13 2.900 9.114 9.783 113 HG12 ILE 13 HG12 ILE 13 3.021 6.589 11.448 114 HG13 ILE 13 HG13 ILE 13 2.041 6.824 10.004 115 HG21 ILE 13 HG21 ILE 13 4.299 10.110 11.487 116 HG22 ILE 13 HG22 ILE 13 4.350 8.587 12.373 117 HG23 ILE 13 HG23 ILE 13 5.113 8.711 10.788 118 HD11 ILE 13 HD11 ILE 13 3.764 5.816 8.992 119 HD12 ILE 13 HD12 ILE 13 4.488 7.424 9.044 120 HD13 ILE 13 HD13 ILE 13 4.899 6.231 10.276 121 H ILE 14 H ILE 14 0.845 10.831 10.088 122 HA ILE 14 HA ILE 14 2.194 13.065 11.270 123 HB ILE 14 HB ILE 14 0.050 12.874 9.161 124 HG12 ILE 14 HG12 ILE 14 2.962 13.689 9.034 125 HG13 ILE 14 HG13 ILE 14 2.321 12.124 8.544 126 HG21 ILE 14 HG21 ILE 14 -0.342 14.948 10.278 127 HG22 ILE 14 HG22 ILE 14 1.380 15.327 10.295 128 HG23 ILE 14 HG23 ILE 14 0.498 15.301 8.768 129 HD11 ILE 14 HD11 ILE 14 0.858 13.448 6.919 130 HD12 ILE 14 HD12 ILE 14 1.953 14.792 7.244 131 HD13 ILE 14 HD13 ILE 14 2.576 13.293 6.554 132 H SER 15 H SER 15 -1.185 11.966 11.166 133 HA SER 15 HA SER 15 -2.240 14.072 12.715 134 HB2 SER 15 HB2 SER 15 -4.209 12.623 12.993 135 HB3 SER 15 HB3 SER 15 -3.650 12.621 11.320 136 HG SER 15 HG SER 15 -4.163 10.516 12.424 137 H ASN 16 H ASN 16 -0.328 11.390 13.562 138 HA ASN 16 HA ASN 16 -1.201 11.409 16.350 139 HB2 ASN 16 HB2 ASN 16 -0.700 9.234 16.211 140 HB3 ASN 16 HB3 ASN 16 -0.010 9.460 14.606 141 HD21 ASN 16 HD21 ASN 16 2.194 9.730 14.378 142 HD22 ASN 16 HD22 ASN 16 3.307 9.392 15.656 143 H HIS 17 H HIS 17 1.669 12.053 14.383 144 HA HIS 17 HA HIS 17 3.366 12.726 16.552 145 HB2 HIS 17 HB2 HIS 17 4.134 12.084 14.250 146 HB3 HIS 17 HB3 HIS 17 3.601 13.666 13.688 147 HD1 HIS 17 HD1 HIS 17 6.528 11.983 14.821 148 HD2 HIS 17 HD2 HIS 17 4.998 15.818 15.284 149 HE1 HIS 17 HE1 HIS 17 8.485 13.411 15.497 150 H PHE 18 H PHE 18 1.464 14.697 14.289 151 HA PHE 18 HA PHE 18 2.027 17.071 15.905 152 HB2 PHE 18 HB2 PHE 18 0.589 16.881 13.251 153 HB3 PHE 18 HB3 PHE 18 1.127 18.355 14.050 154 HD1 PHE 18 HD2 PHE 18 2.157 15.424 12.130 155 HD2 PHE 18 HD1 PHE 18 3.458 18.990 14.055 156 HE1 PHE 18 HE2 PHE 18 4.312 15.269 10.953 157 HE2 PHE 18 HE1 PHE 18 5.615 18.842 12.880 158 HZ PHE 18 HZ PHE 18 6.044 16.979 11.328 159 H ASP 19 H ASP 19 -0.084 18.639 15.665 160 HA ASP 19 HA ASP 19 -2.178 17.176 17.103 161 HB2 ASP 19 HB2 ASP 19 -0.940 19.705 17.486 162 HB3 ASP 19 HB3 ASP 19 -2.633 19.999 17.098 163 H ILE 20 H ILE 20 -1.787 17.304 14.120 164 HA ILE 20 HA ILE 20 -4.040 18.833 13.160 165 HB ILE 20 HB ILE 20 -1.916 18.414 11.839 166 HG12 ILE 20 HG12 ILE 20 -4.460 17.581 10.438 167 HG13 ILE 20 HG13 ILE 20 -4.112 19.242 10.906 168 HG21 ILE 20 HG21 ILE 20 -3.203 15.729 11.363 169 HG22 ILE 20 HG22 ILE 20 -1.731 16.339 10.608 170 HG23 ILE 20 HG23 ILE 20 -1.761 16.006 12.340 171 HD11 ILE 20 HD11 ILE 20 -2.751 19.558 9.172 172 HD12 ILE 20 HD12 ILE 20 -1.974 17.986 9.373 173 HD13 ILE 20 HD13 ILE 20 -3.505 18.110 8.505 174 H GLU 21 H GLU 21 -5.796 17.848 11.924 175 HA GLU 21 HA GLU 21 -6.804 15.487 13.296 176 HB2 GLU 21 HB2 GLU 21 -7.981 17.738 11.795 177 HB3 GLU 21 HB3 GLU 21 -8.790 16.192 11.580 178 HG2 GLU 21 HG2 GLU 21 -8.672 16.112 14.192 179 HG3 GLU 21 HG3 GLU 21 -8.505 17.859 14.027 180 H ALA 22 H ALA 22 -6.751 13.514 12.455 181 HA ALA 22 HA ALA 22 -5.491 12.888 10.046 182 HB1 ALA 22 HB1 ALA 22 -6.167 11.442 12.171 183 HB2 ALA 22 HB2 ALA 22 -7.494 10.977 11.106 184 HB3 ALA 22 HB3 ALA 22 -5.825 10.710 10.603 185 H ASP 23 H ASP 23 -8.685 13.950 10.645 186 HA ASP 23 HA ASP 23 -9.675 12.930 8.090 187 HB2 ASP 23 HB2 ASP 23 -10.987 14.205 10.475 188 HB3 ASP 23 HB3 ASP 23 -11.827 14.111 8.929 189 H GLN 24 H GLN 24 -8.686 15.882 9.657 190 HA GLN 24 HA GLN 24 -9.718 17.601 7.590 191 HB2 GLN 24 HB2 GLN 24 -7.793 18.162 9.852 192 HB3 GLN 24 HB3 GLN 24 -8.490 19.382 8.795 193 HG2 GLN 24 HG2 GLN 24 -10.064 17.567 10.607 194 HG3 GLN 24 HG3 GLN 24 -9.615 19.231 10.976 195 HE21 GLN 24 HE21 GLN 24 -10.382 20.884 9.447 196 HE22 GLN 24 HE22 GLN 24 -11.935 20.671 8.722 197 H VAL 25 H VAL 25 -6.688 16.032 8.349 198 HA VAL 25 HA VAL 25 -4.826 17.405 6.919 199 HB VAL 25 HB VAL 25 -3.821 15.136 6.330 200 HG11 VAL 25 HG11 VAL 25 -4.473 16.041 9.108 201 HG12 VAL 25 HG12 VAL 25 -3.513 14.585 8.838 202 HG13 VAL 25 HG13 VAL 25 -2.947 16.142 8.231 203 HG21 VAL 25 HG21 VAL 25 -6.286 14.249 7.812 204 HG22 VAL 25 HG22 VAL 25 -5.746 13.757 6.206 205 HG23 VAL 25 HG23 VAL 25 -4.852 13.237 7.635 206 H THR 26 H THR 26 -5.149 18.338 4.997 207 HA THR 26 HA THR 26 -6.066 16.628 2.780 208 HB THR 26 HB THR 26 -7.851 18.203 3.350 209 HG1 THR 26 HG1 THR 26 -7.813 19.332 1.206 210 HG21 THR 26 HG21 THR 26 -7.416 20.657 2.898 211 HG22 THR 26 HG22 THR 26 -5.696 20.269 2.946 212 HG23 THR 26 HG23 THR 26 -6.700 20.008 4.372 213 H ASP 27 H ASP 27 -5.415 17.516 0.615 214 HA ASP 27 HA ASP 27 -2.617 17.879 0.532 215 HB2 ASP 27 HB2 ASP 27 -2.903 18.131 -1.882 216 HB3 ASP 27 HB3 ASP 27 -3.885 16.798 -1.281 217 H GLN 28 H GLN 28 -5.144 20.077 1.030 218 HA GLN 28 HA GLN 28 -3.580 22.359 0.074 219 HB2 GLN 28 HB2 GLN 28 -6.447 21.981 0.868 220 HB3 GLN 28 HB3 GLN 28 -5.743 23.593 0.851 221 HG2 GLN 28 HG2 GLN 28 -5.282 23.454 -1.477 222 HG3 GLN 28 HG3 GLN 28 -5.698 21.742 -1.516 223 HE21 GLN 28 HE21 GLN 28 -7.454 21.579 -2.722 224 HE22 GLN 28 HE22 GLN 28 -8.893 22.517 -2.543 225 H LEU 29 H LEU 29 -3.339 20.598 2.653 226 HA LEU 29 HA LEU 29 -2.936 22.893 4.448 227 HB2 LEU 29 HB2 LEU 29 -4.493 20.437 4.882 228 HB3 LEU 29 HB3 LEU 29 -3.404 20.875 6.196 229 HG LEU 29 HG LEU 29 -4.517 22.981 6.494 230 HD11 LEU 29 HD11 LEU 29 -5.197 23.863 4.521 231 HD12 LEU 29 HD12 LEU 29 -6.733 23.164 5.029 232 HD13 LEU 29 HD13 LEU 29 -5.715 22.307 3.873 233 HD21 LEU 29 HD21 LEU 29 -7.012 21.886 6.567 234 HD22 LEU 29 HD22 LEU 29 -5.779 21.679 7.811 235 HD23 LEU 29 HD23 LEU 29 -5.987 20.450 6.562 236 H ASN 30 H ASN 30 -0.744 22.728 3.549 237 HA ASN 30 HA ASN 30 0.890 20.467 3.905 238 HB2 ASN 30 HB2 ASN 30 1.525 22.257 2.388 239 HB3 ASN 30 HB3 ASN 30 1.631 23.395 3.728 240 HD21 ASN 30 HD21 ASN 30 3.794 23.538 2.529 241 HD22 ASN 30 HD22 ASN 30 5.065 22.554 3.164 242 H ILE 31 H ILE 31 1.459 19.545 5.752 243 HA ILE 31 HA ILE 31 1.085 20.637 8.293 244 HB ILE 31 HB ILE 31 3.000 18.440 7.500 245 HG12 ILE 31 HG12 ILE 31 0.821 17.256 8.673 246 HG13 ILE 31 HG13 ILE 31 0.077 18.576 7.776 247 HG21 ILE 31 HG21 ILE 31 2.899 17.729 9.802 248 HG22 ILE 31 HG22 ILE 31 3.423 19.410 9.734 249 HG23 ILE 31 HG23 ILE 31 1.764 19.022 10.187 250 HD11 ILE 31 HD11 ILE 31 0.507 16.188 6.715 251 HD12 ILE 31 HD12 ILE 31 0.585 17.672 5.764 252 HD13 ILE 31 HD13 ILE 31 2.069 16.920 6.349 253 H LYS 32 H LYS 32 3.889 20.656 6.172 254 HA LYS 32 HA LYS 32 5.891 21.442 7.889 255 HB2 LYS 32 HB2 LYS 32 6.252 20.931 5.514 256 HB3 LYS 32 HB3 LYS 32 5.423 22.415 5.064 257 HG2 LYS 32 HG2 LYS 32 7.186 23.669 6.335 258 HG3 LYS 32 HG3 LYS 32 8.056 22.141 6.489 259 HD2 LYS 32 HD2 LYS 32 9.035 22.842 4.573 260 HD3 LYS 32 HD3 LYS 32 7.592 22.133 3.843 261 HE2 LYS 32 HE2 LYS 32 6.538 24.444 4.114 262 HE3 LYS 32 HE3 LYS 32 8.175 25.024 4.421 263 HZ1 LYS 32 HZ1 LYS 32 8.852 24.222 2.267 264 HZ2 LYS 32 HZ2 LYS 32 7.523 25.252 2.088 265 HZ3 LYS 32 HZ3 LYS 32 7.316 23.577 1.973 266 H ASP 33 H ASP 33 3.711 23.598 6.069 267 HA ASP 33 HA ASP 33 4.596 25.880 7.626 268 HB2 ASP 33 HB2 ASP 33 3.910 25.769 5.077 269 HB3 ASP 33 HB3 ASP 33 2.292 26.021 5.727 270 H ASP 34 H ASP 34 1.437 24.375 6.926 271 HA ASP 34 HA ASP 34 -0.162 25.739 8.658 272 HB2 ASP 34 HB2 ASP 34 -0.224 22.775 8.056 273 HB3 ASP 34 HB3 ASP 34 -1.534 23.661 8.833 274 H LEU 35 H LEU 35 1.567 22.729 9.486 275 HA LEU 35 HA LEU 35 1.017 23.094 12.295 276 HB2 LEU 35 HB2 LEU 35 1.871 20.964 10.584 277 HB3 LEU 35 HB3 LEU 35 2.995 21.119 11.932 278 HG LEU 35 HG LEU 35 1.281 19.473 12.423 279 HD11 LEU 35 HD11 LEU 35 0.424 20.444 14.533 280 HD12 LEU 35 HD12 LEU 35 1.016 22.021 14.010 281 HD13 LEU 35 HD13 LEU 35 2.152 20.703 14.295 282 HD21 LEU 35 HD21 LEU 35 -1.071 20.682 12.857 283 HD22 LEU 35 HD22 LEU 35 -0.661 19.883 11.339 284 HD23 LEU 35 HD23 LEU 35 -0.502 21.634 11.485 285 H ASN 36 H ASN 36 3.453 24.038 10.100 286 HA ASN 36 HA ASN 36 5.367 25.242 10.357 287 HB2 ASN 36 HB2 ASN 36 3.773 26.009 12.503 288 HB3 ASN 36 HB3 ASN 36 5.315 25.596 13.247 289 HD21 ASN 36 HD21 ASN 36 7.246 26.589 12.270 290 HD22 ASN 36 HD22 ASN 36 7.115 28.204 11.669 291 H ALA 37 H ALA 37 5.224 22.312 10.787 292 HA ALA 37 HA ALA 37 6.808 21.320 12.791 293 HB1 ALA 37 HB1 ALA 37 5.639 19.969 11.071 294 HB2 ALA 37 HB2 ALA 37 6.907 20.399 9.922 295 HB3 ALA 37 HB3 ALA 37 7.301 19.453 11.358 296 H ASP 38 H ASP 38 8.987 21.044 13.154 297 HA ASP 38 HA ASP 38 10.727 23.068 12.299 298 HB2 ASP 38 HB2 ASP 38 11.359 20.379 13.534 299 HB3 ASP 38 HB3 ASP 38 12.509 21.703 13.369 300 H SER 39 H SER 39 12.869 22.669 11.227 301 HA SER 39 HA SER 39 12.401 21.498 8.647 302 HB2 SER 39 HB2 SER 39 14.551 23.132 9.904 303 HB3 SER 39 HB3 SER 39 14.984 22.165 8.494 304 HG SER 39 HG SER 39 13.305 24.371 8.698 305 H ILE 40 H ILE 40 14.726 20.889 11.275 306 HA ILE 40 HA ILE 40 16.080 18.744 10.197 307 HB ILE 40 HB ILE 40 15.299 19.118 13.091 308 HG12 ILE 40 HG12 ILE 40 16.516 21.039 12.191 309 HG13 ILE 40 HG13 ILE 40 17.531 20.140 13.313 310 HG21 ILE 40 HG21 ILE 40 17.488 17.444 11.866 311 HG22 ILE 40 HG22 ILE 40 17.226 17.696 13.591 312 HG23 ILE 40 HG23 ILE 40 16.021 16.836 12.633 313 HD11 ILE 40 HD11 ILE 40 18.001 20.805 10.574 314 HD12 ILE 40 HD12 ILE 40 19.090 20.070 11.751 315 HD13 ILE 40 HD13 ILE 40 18.025 19.054 10.780 316 H SER 41 H SER 41 13.002 18.745 11.945 317 HA SER 41 HA SER 41 12.588 16.042 12.264 318 HB2 SER 41 HB2 SER 41 11.086 18.259 12.718 319 HB3 SER 41 HB3 SER 41 10.213 17.551 11.359 320 HG SER 41 HG SER 41 10.368 16.721 13.952 321 H VAL 42 H VAL 42 12.208 17.996 9.369 322 HA VAL 42 HA VAL 42 10.796 16.262 7.739 323 HB VAL 42 HB VAL 42 13.060 18.091 6.925 324 HG11 VAL 42 HG11 VAL 42 11.387 18.019 4.806 325 HG12 VAL 42 HG12 VAL 42 12.813 16.993 4.972 326 HG13 VAL 42 HG13 VAL 42 11.220 16.368 5.404 327 HG21 VAL 42 HG21 VAL 42 10.151 18.520 7.445 328 HG22 VAL 42 HG22 VAL 42 11.532 19.518 7.900 329 HG23 VAL 42 HG23 VAL 42 10.973 19.496 6.228 330 H MET 43 H MET 43 14.219 16.262 8.566 331 HA MET 43 HA MET 43 15.084 14.370 6.679 332 HB2 MET 43 HB2 MET 43 16.275 15.874 8.663 333 HB3 MET 43 HB3 MET 43 16.459 14.229 9.257 334 HG2 MET 43 HG2 MET 43 18.383 14.520 8.039 335 HG3 MET 43 HG3 MET 43 17.327 13.728 6.872 336 HE1 MET 43 HE1 MET 43 17.559 14.190 4.772 337 HE2 MET 43 HE2 MET 43 17.789 15.728 3.940 338 HE3 MET 43 HE3 MET 43 19.155 14.940 4.732 339 H GLU 44 H GLU 44 13.373 14.040 9.679 340 HA GLU 44 HA GLU 44 13.884 11.194 9.884 341 HB2 GLU 44 HB2 GLU 44 12.004 12.945 11.478 342 HB3 GLU 44 HB3 GLU 44 12.444 11.287 11.861 343 HG2 GLU 44 HG2 GLU 44 14.668 11.894 12.374 344 HG3 GLU 44 HG3 GLU 44 14.463 13.501 11.680 345 H PHE 45 H PHE 45 11.044 13.278 9.356 346 HA PHE 45 HA PHE 45 9.185 11.248 8.907 347 HB2 PHE 45 HB2 PHE 45 9.248 14.025 7.708 348 HB3 PHE 45 HB3 PHE 45 7.841 12.969 7.764 349 HD1 PHE 45 HD1 PHE 45 7.705 11.935 10.386 350 HD2 PHE 45 HD2 PHE 45 9.001 15.793 9.139 351 HE1 PHE 45 HE1 PHE 45 7.110 12.844 12.594 352 HE2 PHE 45 HE2 PHE 45 8.409 16.708 11.345 353 HZ PHE 45 HZ PHE 45 7.463 15.234 13.076 354 H VAL 46 H VAL 46 11.444 12.819 6.710 355 HA VAL 46 HA VAL 46 10.420 11.663 4.326 356 HB VAL 46 HB VAL 46 11.894 13.687 4.414 357 HG11 VAL 46 HG11 VAL 46 14.241 13.491 4.687 358 HG12 VAL 46 HG12 VAL 46 13.507 12.643 6.050 359 HG13 VAL 46 HG13 VAL 46 14.163 11.729 4.691 360 HG21 VAL 46 HG21 VAL 46 12.894 13.278 2.318 361 HG22 VAL 46 HG22 VAL 46 13.063 11.554 2.645 362 HG23 VAL 46 HG23 VAL 46 11.465 12.246 2.367 363 H LEU 47 H LEU 47 12.445 10.491 6.851 364 HA LEU 47 HA LEU 47 13.655 8.392 5.283 365 HB2 LEU 47 HB2 LEU 47 14.545 9.597 7.422 366 HB3 LEU 47 HB3 LEU 47 13.573 8.396 8.269 367 HG LEU 47 HG LEU 47 14.895 6.662 6.904 368 HD11 LEU 47 HD11 LEU 47 16.215 9.162 6.139 369 HD12 LEU 47 HD12 LEU 47 16.198 7.592 5.338 370 HD13 LEU 47 HD13 LEU 47 17.310 7.888 6.674 371 HD21 LEU 47 HD21 LEU 47 15.982 6.312 8.815 372 HD22 LEU 47 HD22 LEU 47 15.261 7.813 9.396 373 HD23 LEU 47 HD23 LEU 47 16.870 7.829 8.674 374 H GLU 48 H GLU 48 11.308 8.502 7.965 375 HA GLU 48 HA GLU 48 10.674 5.820 8.095 376 HB2 GLU 48 HB2 GLU 48 8.414 6.605 8.917 377 HB3 GLU 48 HB3 GLU 48 9.806 7.261 9.766 378 HG2 GLU 48 HG2 GLU 48 9.621 9.329 8.482 379 HG3 GLU 48 HG3 GLU 48 8.225 8.672 7.629 380 H LEU 49 H LEU 49 9.333 8.298 5.953 381 HA LEU 49 HA LEU 49 7.398 6.617 4.740 382 HB2 LEU 49 HB2 LEU 49 8.701 9.087 3.609 383 HB3 LEU 49 HB3 LEU 49 7.188 8.360 3.073 384 HG LEU 49 HG LEU 49 7.460 9.345 5.886 385 HD11 LEU 49 HD11 LEU 49 8.089 11.040 3.903 386 HD12 LEU 49 HD12 LEU 49 7.241 11.530 5.370 387 HD13 LEU 49 HD13 LEU 49 6.333 11.205 3.893 388 HD21 LEU 49 HD21 LEU 49 5.076 9.426 4.064 389 HD22 LEU 49 HD22 LEU 49 5.124 9.466 5.827 390 HD23 LEU 49 HD23 LEU 49 5.506 7.974 4.967 391 H GLU 50 H GLU 50 10.749 7.397 4.001 392 HA GLU 50 HA GLU 50 10.789 6.119 1.456 393 HB2 GLU 50 HB2 GLU 50 12.515 7.632 1.654 394 HB3 GLU 50 HB3 GLU 50 12.836 7.210 3.330 395 HG2 GLU 50 HG2 GLU 50 14.212 5.488 2.785 396 HG3 GLU 50 HG3 GLU 50 13.373 5.149 1.272 397 H ASP 51 H ASP 51 11.338 5.067 4.744 398 HA ASP 51 HA ASP 51 12.417 2.506 3.957 399 HB2 ASP 51 HB2 ASP 51 13.030 3.735 6.087 400 HB3 ASP 51 HB3 ASP 51 11.433 3.311 6.696 401 H GLU 52 H GLU 52 9.466 3.557 5.667 402 HA GLU 52 HA GLU 52 8.166 1.130 5.796 403 HB2 GLU 52 HB2 GLU 52 7.369 3.192 6.887 404 HB3 GLU 52 HB3 GLU 52 6.902 3.835 5.318 405 HG2 GLU 52 HG2 GLU 52 4.999 2.945 6.579 406 HG3 GLU 52 HG3 GLU 52 5.249 2.105 5.050 407 H PHE 53 H PHE 53 7.643 3.607 3.279 408 HA PHE 53 HA PHE 53 6.175 1.817 1.610 409 HB2 PHE 53 HB2 PHE 53 7.463 4.407 0.749 410 HB3 PHE 53 HB3 PHE 53 6.054 3.618 0.049 411 HD1 PHE 53 HD1 PHE 53 4.654 2.942 2.644 412 HD2 PHE 53 HD2 PHE 53 6.528 6.504 1.260 413 HE1 PHE 53 HE1 PHE 53 3.185 4.276 4.099 414 HE2 PHE 53 HE2 PHE 53 5.062 7.844 2.713 415 HZ PHE 53 HZ PHE 53 3.388 6.730 4.135 416 H GLY 54 H GLY 54 9.524 2.683 1.941 417 HA2 GLY 54 HA2 GLY 54 11.393 1.663 1.048 418 HA3 GLY 54 HA3 GLY 54 10.328 0.525 0.237 419 H THR 55 H THR 55 10.912 4.040 0.049 420 HA THR 55 HA THR 55 11.535 3.726 -2.796 421 HB THR 55 HB THR 55 9.138 4.308 -2.666 422 HG1 THR 55 HG1 THR 55 10.754 6.457 -3.617 423 HG21 THR 55 HG21 THR 55 9.758 7.048 -1.716 424 HG22 THR 55 HG22 THR 55 9.706 5.770 -0.503 425 HG23 THR 55 HG23 THR 55 8.296 6.084 -1.515 426 H GLU 56 H GLU 56 12.776 5.430 -3.693 427 HA GLU 56 HA GLU 56 14.439 6.769 -1.730 428 HB2 GLU 56 HB2 GLU 56 15.507 5.645 -3.618 429 HB3 GLU 56 HB3 GLU 56 14.620 6.662 -4.745 430 HG2 GLU 56 HG2 GLU 56 15.921 8.492 -4.342 431 HG3 GLU 56 HG3 GLU 56 16.327 7.980 -2.705 432 H ILE 57 H ILE 57 14.262 8.831 -1.149 433 HA ILE 57 HA ILE 57 12.476 10.565 -2.721 434 HB ILE 57 HB ILE 57 13.212 10.710 0.204 435 HG12 ILE 57 HG12 ILE 57 10.412 10.465 -0.775 436 HG13 ILE 57 HG13 ILE 57 11.432 9.035 -0.882 437 HG21 ILE 57 HG21 ILE 57 11.586 12.567 0.307 438 HG22 ILE 57 HG22 ILE 57 12.997 12.945 -0.680 439 HG23 ILE 57 HG23 ILE 57 11.468 12.528 -1.452 440 HD11 ILE 57 HD11 ILE 57 11.956 9.552 1.607 441 HD12 ILE 57 HD12 ILE 57 10.469 10.497 1.527 442 HD13 ILE 57 HD13 ILE 57 10.437 8.771 1.169 443 H SER 58 H SER 58 13.522 11.971 -3.953 444 HA SER 58 HA SER 58 16.224 12.590 -3.830 445 HB2 SER 58 HB2 SER 58 14.143 14.503 -4.888 446 HB3 SER 58 HB3 SER 58 15.798 14.270 -5.453 447 HG SER 58 HG SER 58 14.929 12.938 -6.821 448 H ASP 59 H ASP 59 17.187 14.765 -3.431 449 HA ASP 59 HA ASP 59 16.485 15.633 -0.769 450 HB2 ASP 59 HB2 ASP 59 18.838 15.581 -2.324 451 HB3 ASP 59 HB3 ASP 59 18.498 17.279 -2.006 452 H GLU 60 H GLU 60 16.001 16.724 -4.017 453 HA GLU 60 HA GLU 60 15.396 19.447 -3.304 454 HB2 GLU 60 HB2 GLU 60 14.656 18.067 -5.879 455 HB3 GLU 60 HB3 GLU 60 14.908 19.785 -5.606 456 HG2 GLU 60 HG2 GLU 60 17.306 19.261 -5.112 457 HG3 GLU 60 HG3 GLU 60 16.985 17.614 -5.650 458 H ASP 61 H ASP 61 13.411 16.842 -4.725 459 HA ASP 61 HA ASP 61 10.941 18.071 -4.319 460 HB2 ASP 61 HB2 ASP 61 11.796 15.219 -4.687 461 HB3 ASP 61 HB3 ASP 61 10.113 15.594 -4.326 462 H ALA 62 H ALA 62 13.023 16.433 -2.106 463 HA ALA 62 HA ALA 62 11.318 15.518 -0.149 464 HB1 ALA 62 HB1 ALA 62 14.099 16.253 -0.318 465 HB2 ALA 62 HB2 ALA 62 13.427 16.691 1.253 466 HB3 ALA 62 HB3 ALA 62 13.319 15.026 0.682 467 H GLU 63 H GLU 63 11.971 18.781 -1.073 468 HA GLU 63 HA GLU 63 10.892 19.907 1.374 469 HB2 GLU 63 HB2 GLU 63 12.753 20.853 -0.293 470 HB3 GLU 63 HB3 GLU 63 11.341 21.590 -1.036 471 HG2 GLU 63 HG2 GLU 63 10.758 22.584 1.149 472 HG3 GLU 63 HG3 GLU 63 12.250 21.920 1.813 473 H LYS 64 H LYS 64 9.894 19.280 -1.921 474 HA LYS 64 HA LYS 64 7.321 20.599 -1.447 475 HB2 LYS 64 HB2 LYS 64 6.955 20.460 -3.812 476 HB3 LYS 64 HB3 LYS 64 8.588 21.059 -3.555 477 HG2 LYS 64 HG2 LYS 64 9.395 19.431 -4.812 478 HG3 LYS 64 HG3 LYS 64 8.705 18.228 -3.720 479 HD2 LYS 64 HD2 LYS 64 6.516 18.572 -4.962 480 HD3 LYS 64 HD3 LYS 64 7.455 19.463 -6.163 481 HE2 LYS 64 HE2 LYS 64 8.560 17.586 -6.888 482 HE3 LYS 64 HE3 LYS 64 8.383 16.754 -5.344 483 HZ1 LYS 64 HZ1 LYS 64 5.914 16.698 -5.922 484 HZ2 LYS 64 HZ2 LYS 64 6.938 15.644 -6.760 485 HZ3 LYS 64 HZ3 LYS 64 6.394 17.063 -7.503 486 H ILE 65 H ILE 65 7.945 18.170 -0.058 487 HA ILE 65 HA ILE 65 5.672 16.581 -0.947 488 HB ILE 65 HB ILE 65 6.888 14.459 -0.770 489 HG12 ILE 65 HG12 ILE 65 9.573 15.347 -1.083 490 HG13 ILE 65 HG13 ILE 65 8.914 16.137 0.346 491 HG21 ILE 65 HG21 ILE 65 8.009 16.426 -2.759 492 HG22 ILE 65 HG22 ILE 65 8.222 14.678 -2.860 493 HG23 ILE 65 HG23 ILE 65 6.606 15.377 -2.966 494 HD11 ILE 65 HD11 ILE 65 8.122 13.447 0.483 495 HD12 ILE 65 HD12 ILE 65 9.826 13.458 0.028 496 HD13 ILE 65 HD13 ILE 65 9.299 14.291 1.490 497 H GLU 66 H GLU 66 6.164 18.332 1.301 498 HA GLU 66 HA GLU 66 6.191 16.420 3.536 499 HB2 GLU 66 HB2 GLU 66 6.427 19.417 3.754 500 HB3 GLU 66 HB3 GLU 66 6.814 18.211 4.974 501 HG2 GLU 66 HG2 GLU 66 8.702 17.449 3.669 502 HG3 GLU 66 HG3 GLU 66 8.291 18.576 2.377 503 H THR 67 H THR 67 3.946 17.220 1.644 504 HA THR 67 HA THR 67 2.016 18.041 3.717 505 HB THR 67 HB THR 67 0.874 19.384 2.269 506 HG1 THR 67 HG1 THR 67 0.440 18.830 0.230 507 HG21 THR 67 HG21 THR 67 2.359 20.822 1.264 508 HG22 THR 67 HG22 THR 67 3.332 19.516 0.587 509 HG23 THR 67 HG23 THR 67 3.457 19.912 2.300 510 H VAL 68 H VAL 68 -0.217 17.238 3.335 511 HA VAL 68 HA VAL 68 -0.383 14.501 3.299 512 HB VAL 68 HB VAL 68 -2.577 16.352 2.360 513 HG11 VAL 68 HG11 VAL 68 -2.459 13.500 3.179 514 HG12 VAL 68 HG12 VAL 68 -3.871 14.441 3.662 515 HG13 VAL 68 HG13 VAL 68 -3.455 14.287 1.955 516 HG21 VAL 68 HG21 VAL 68 -3.280 16.271 4.775 517 HG22 VAL 68 HG22 VAL 68 -1.698 15.578 5.135 518 HG23 VAL 68 HG23 VAL 68 -1.816 17.198 4.447 519 H GLY 69 H GLY 69 -1.127 16.678 0.571 520 HA2 GLY 69 HA2 GLY 69 -1.389 14.448 -1.250 521 HA3 GLY 69 HA3 GLY 69 -1.515 16.152 -1.658 522 H ALA 70 H ALA 70 0.957 17.048 -0.706 523 HA ALA 70 HA ALA 70 2.623 16.527 -2.890 524 HB1 ALA 70 HB1 ALA 70 2.630 18.494 -1.210 525 HB2 ALA 70 HB2 ALA 70 3.722 17.474 -0.273 526 HB3 ALA 70 HB3 ALA 70 4.158 17.961 -1.911 527 H ALA 71 H ALA 71 2.089 14.715 -0.049 528 HA ALA 71 HA ALA 71 4.651 13.354 -0.126 529 HB1 ALA 71 HB1 ALA 71 2.213 13.035 1.608 530 HB2 ALA 71 HB2 ALA 71 3.620 11.976 1.718 531 HB3 ALA 71 HB3 ALA 71 3.786 13.700 2.051 532 H VAL 72 H VAL 72 1.287 12.161 -0.172 533 HA VAL 72 HA VAL 72 1.848 9.638 -1.192 534 HB VAL 72 HB VAL 72 -0.313 10.117 -0.235 535 HG11 VAL 72 HG11 VAL 72 -0.367 12.485 -1.148 536 HG12 VAL 72 HG12 VAL 72 -0.989 11.785 -2.643 537 HG13 VAL 72 HG13 VAL 72 -1.897 11.609 -1.141 538 HG21 VAL 72 HG21 VAL 72 -0.759 9.519 -3.152 539 HG22 VAL 72 HG22 VAL 72 -0.067 8.356 -2.021 540 HG23 VAL 72 HG23 VAL 72 -1.705 8.960 -1.772 541 H ASP 73 H ASP 73 1.132 12.654 -2.892 542 HA ASP 73 HA ASP 73 0.938 11.613 -5.485 543 HB2 ASP 73 HB2 ASP 73 0.230 13.881 -4.974 544 HB3 ASP 73 HB3 ASP 73 1.881 14.334 -4.559 545 H TYR 74 H TYR 74 3.678 12.193 -3.457 546 HA TYR 74 HA TYR 74 5.568 12.024 -5.660 547 HB2 TYR 74 HB2 TYR 74 5.986 13.570 -3.771 548 HB3 TYR 74 HB3 TYR 74 6.078 12.190 -2.682 549 HD1 TYR 74 HD2 TYR 74 7.622 13.398 -5.867 550 HD2 TYR 74 HD1 TYR 74 8.171 11.366 -2.170 551 HE1 TYR 74 HE2 TYR 74 10.025 13.189 -6.346 552 HE2 TYR 74 HE1 TYR 74 10.576 11.152 -2.637 553 HH TYR 74 HH TYR 74 12.141 12.894 -5.048 554 H ILE 75 H ILE 75 4.897 10.208 -2.667 555 HA ILE 75 HA ILE 75 6.636 8.081 -3.139 556 HB ILE 75 HB ILE 75 3.989 7.926 -1.694 557 HG12 ILE 75 HG12 ILE 75 5.313 9.766 -0.808 558 HG13 ILE 75 HG13 ILE 75 5.310 8.431 0.338 559 HG21 ILE 75 HG21 ILE 75 4.561 5.876 -1.014 560 HG22 ILE 75 HG22 ILE 75 5.728 5.904 -2.335 561 HG23 ILE 75 HG23 ILE 75 6.232 6.349 -0.705 562 HD11 ILE 75 HD11 ILE 75 7.519 9.755 -0.893 563 HD12 ILE 75 HD12 ILE 75 7.515 8.532 0.378 564 HD13 ILE 75 HD13 ILE 75 7.541 8.043 -1.315 565 H VAL 76 H VAL 76 3.247 8.508 -4.076 566 HA VAL 76 HA VAL 76 2.951 5.929 -5.232 567 HB VAL 76 HB VAL 76 1.378 8.463 -5.717 568 HG11 VAL 76 HG11 VAL 76 1.111 5.701 -6.773 569 HG12 VAL 76 HG12 VAL 76 -0.364 6.567 -6.343 570 HG13 VAL 76 HG13 VAL 76 0.742 7.246 -7.537 571 HG21 VAL 76 HG21 VAL 76 1.403 7.547 -3.382 572 HG22 VAL 76 HG22 VAL 76 -0.192 7.623 -4.130 573 HG23 VAL 76 HG23 VAL 76 0.657 6.081 -4.018 574 H SER 77 H SER 77 3.152 9.130 -6.801 575 HA SER 77 HA SER 77 3.390 8.280 -9.412 576 HB2 SER 77 HB2 SER 77 3.090 10.636 -8.785 577 HB3 SER 77 HB3 SER 77 4.733 10.681 -8.144 578 HG SER 77 HG SER 77 4.686 11.508 -10.249 579 H ASN 78 H ASN 78 5.792 8.312 -6.888 580 HA ASN 78 HA ASN 78 7.986 7.782 -8.698 581 HB2 ASN 78 HB2 ASN 78 8.341 9.107 -6.646 582 HB3 ASN 78 HB3 ASN 78 7.895 7.709 -5.673 583 HD21 ASN 78 HD21 ASN 78 10.398 9.363 -7.171 584 HD22 ASN 78 HD22 ASN 78 11.637 8.172 -6.989 585 H SER 79 H SER 79 5.882 5.995 -6.538 586 HA SER 79 HA SER 79 7.248 3.601 -6.308 587 HB2 SER 79 HB2 SER 79 5.379 3.432 -5.037 588 HB3 SER 79 HB3 SER 79 4.433 4.452 -6.121 589 HG SER 79 HG SER 79 3.553 2.646 -6.722 Start of MODEL 18 1 H1 MET 1 H MET 1 3.115 0.631 1.209 2 HA MET 1 HA MET 1 3.786 0.282 -1.030 3 HB2 MET 1 HB2 MET 1 1.163 -1.200 -0.779 4 HB3 MET 1 HB3 MET 1 2.518 -1.630 -1.814 5 HG2 MET 1 HG2 MET 1 3.196 -2.963 -0.182 6 HG3 MET 1 HG3 MET 1 3.631 -1.507 0.710 7 HE1 MET 1 HE1 MET 1 1.856 -4.610 2.496 8 HE2 MET 1 HE2 MET 1 3.391 -3.976 1.905 9 HE3 MET 1 HE3 MET 1 2.706 -3.366 3.412 10 H THR 2 H THR 2 0.230 0.498 -1.218 11 HA THR 2 HA THR 2 0.446 1.794 -3.808 12 HB THR 2 HB THR 2 -1.249 0.014 -3.410 13 HG1 THR 2 HG1 THR 2 -2.282 1.023 -4.947 14 HG21 THR 2 HG21 THR 2 -2.838 0.125 -1.814 15 HG22 THR 2 HG22 THR 2 -3.085 1.857 -2.040 16 HG23 THR 2 HG23 THR 2 -1.743 1.279 -1.053 17 H ARG 3 H ARG 3 -1.244 3.622 -4.173 18 HA ARG 3 HA ARG 3 -0.407 5.873 -2.744 19 HB2 ARG 3 HB2 ARG 3 -2.300 7.037 -3.871 20 HB3 ARG 3 HB3 ARG 3 -1.291 6.106 -4.969 21 HG2 ARG 3 HG2 ARG 3 -2.969 4.276 -4.868 22 HG3 ARG 3 HG3 ARG 3 -4.000 5.340 -3.908 23 HD2 ARG 3 HD2 ARG 3 -3.542 6.987 -5.934 24 HD3 ARG 3 HD3 ARG 3 -3.285 5.467 -6.789 25 HE ARG 3 HE ARG 3 -5.718 5.531 -5.264 26 HH11 ARG 3 HH11 ARG 3 -4.227 6.338 -8.304 27 HH12 ARG 3 HH12 ARG 3 -5.715 6.312 -9.190 28 HH21 ARG 3 HH21 ARG 3 -7.684 5.492 -6.419 29 HH22 ARG 3 HH22 ARG 3 -7.682 5.831 -8.117 30 H GLU 4 H GLU 4 -3.205 3.779 -2.327 31 HA GLU 4 HA GLU 4 -4.609 5.377 -0.483 32 HB2 GLU 4 HB2 GLU 4 -4.610 2.360 -0.599 33 HB3 GLU 4 HB3 GLU 4 -5.876 3.399 0.039 34 HG2 GLU 4 HG2 GLU 4 -5.019 3.256 -2.842 35 HG3 GLU 4 HG3 GLU 4 -6.446 2.485 -2.153 36 H GLU 5 H GLU 5 -2.684 2.446 0.191 37 HA GLU 5 HA GLU 5 -2.637 2.623 2.937 38 HB2 GLU 5 HB2 GLU 5 -1.128 1.230 0.898 39 HB3 GLU 5 HB3 GLU 5 -0.090 1.688 2.241 40 HG2 GLU 5 HG2 GLU 5 -0.909 -0.485 2.690 41 HG3 GLU 5 HG3 GLU 5 -1.744 0.622 3.778 42 H VAL 6 H VAL 6 -0.384 4.099 0.627 43 HA VAL 6 HA VAL 6 1.342 5.259 2.519 44 HB VAL 6 HB VAL 6 0.702 6.174 -0.288 45 HG11 VAL 6 HG11 VAL 6 2.260 7.413 1.765 46 HG12 VAL 6 HG12 VAL 6 3.320 6.893 0.454 47 HG13 VAL 6 HG13 VAL 6 1.956 7.960 0.117 48 HG21 VAL 6 HG21 VAL 6 2.175 4.661 -1.063 49 HG22 VAL 6 HG22 VAL 6 3.265 4.867 0.308 50 HG23 VAL 6 HG23 VAL 6 1.846 3.829 0.457 51 H LEU 7 H LEU 7 -1.360 6.711 0.701 52 HA LEU 7 HA LEU 7 -1.285 9.249 1.798 53 HB2 LEU 7 HB2 LEU 7 -2.708 8.886 -0.035 54 HB3 LEU 7 HB3 LEU 7 -3.553 7.570 0.776 55 HG LEU 7 HG LEU 7 -3.794 10.192 2.086 56 HD11 LEU 7 HD11 LEU 7 -3.945 11.110 -0.058 57 HD12 LEU 7 HD12 LEU 7 -5.619 10.806 0.406 58 HD13 LEU 7 HD13 LEU 7 -4.797 9.705 -0.699 59 HD21 LEU 7 HD21 LEU 7 -6.223 8.832 1.331 60 HD22 LEU 7 HD22 LEU 7 -5.590 9.197 2.936 61 HD23 LEU 7 HD23 LEU 7 -5.088 7.725 2.103 62 H GLN 8 H GLN 8 -3.013 6.384 2.987 63 HA GLN 8 HA GLN 8 -4.260 7.609 5.180 64 HB2 GLN 8 HB2 GLN 8 -3.564 4.804 4.443 65 HB3 GLN 8 HB3 GLN 8 -4.055 5.130 6.100 66 HG2 GLN 8 HG2 GLN 8 -5.849 6.395 4.241 67 HG3 GLN 8 HG3 GLN 8 -5.700 4.671 3.901 68 HE21 GLN 8 HE21 GLN 8 -6.108 6.889 6.638 69 HE22 GLN 8 HE22 GLN 8 -7.224 5.892 7.502 70 H LYS 9 H LYS 9 -1.364 5.521 5.207 71 HA LYS 9 HA LYS 9 -0.604 5.826 7.816 72 HB2 LYS 9 HB2 LYS 9 0.709 5.092 5.329 73 HB3 LYS 9 HB3 LYS 9 1.813 5.901 6.433 74 HG2 LYS 9 HG2 LYS 9 1.858 3.471 6.697 75 HG3 LYS 9 HG3 LYS 9 1.317 4.285 8.166 76 HD2 LYS 9 HD2 LYS 9 -0.921 3.673 6.457 77 HD3 LYS 9 HD3 LYS 9 0.023 2.220 6.791 78 HE2 LYS 9 HE2 LYS 9 -0.098 2.754 9.207 79 HE3 LYS 9 HE3 LYS 9 -1.135 4.127 8.822 80 HZ1 LYS 9 HZ1 LYS 9 -2.472 2.220 7.597 81 HZ2 LYS 9 HZ2 LYS 9 -2.719 2.585 9.230 82 HZ3 LYS 9 HZ3 LYS 9 -1.742 1.274 8.795 83 H VAL 10 H VAL 10 0.662 7.815 5.134 84 HA VAL 10 HA VAL 10 2.096 9.645 6.605 85 HB VAL 10 HB VAL 10 0.520 10.129 4.075 86 HG11 VAL 10 HG11 VAL 10 2.046 12.053 3.746 87 HG12 VAL 10 HG12 VAL 10 0.962 12.253 5.124 88 HG13 VAL 10 HG13 VAL 10 2.651 11.813 5.384 89 HG21 VAL 10 HG21 VAL 10 3.226 10.102 3.503 90 HG22 VAL 10 HG22 VAL 10 3.029 8.799 4.676 91 HG23 VAL 10 HG23 VAL 10 2.079 8.800 3.191 92 H ALA 11 H ALA 11 -1.345 9.781 5.741 93 HA ALA 11 HA ALA 11 -1.896 12.278 6.906 94 HB1 ALA 11 HB1 ALA 11 -4.279 11.397 6.971 95 HB2 ALA 11 HB2 ALA 11 -3.488 11.437 5.395 96 HB3 ALA 11 HB3 ALA 11 -3.635 9.912 6.269 97 H LYS 12 H LYS 12 -1.830 9.024 8.238 98 HA LYS 12 HA LYS 12 -2.977 9.751 10.756 99 HB2 LYS 12 HB2 LYS 12 -2.913 7.425 9.675 100 HB3 LYS 12 HB3 LYS 12 -1.254 7.333 10.251 101 HG2 LYS 12 HG2 LYS 12 -2.804 8.150 12.445 102 HG3 LYS 12 HG3 LYS 12 -3.692 6.841 11.662 103 HD2 LYS 12 HD2 LYS 12 -2.128 5.292 12.184 104 HD3 LYS 12 HD3 LYS 12 -0.788 6.423 11.978 105 HE2 LYS 12 HE2 LYS 12 -0.645 6.491 14.199 106 HE3 LYS 12 HE3 LYS 12 -2.166 7.383 14.187 107 HZ1 LYS 12 HZ1 LYS 12 -3.144 4.970 14.074 108 HZ2 LYS 12 HZ2 LYS 12 -2.708 5.664 15.553 109 HZ3 LYS 12 HZ3 LYS 12 -1.670 4.563 14.797 110 H ILE 13 H ILE 13 0.321 8.686 9.899 111 HA ILE 13 HA ILE 13 1.573 9.238 12.284 112 HB ILE 13 HB ILE 13 2.767 9.640 9.539 113 HG12 ILE 13 HG12 ILE 13 3.442 7.179 10.930 114 HG13 ILE 13 HG13 ILE 13 1.709 7.314 10.654 115 HG21 ILE 13 HG21 ILE 13 4.263 10.598 11.059 116 HG22 ILE 13 HG22 ILE 13 3.961 9.358 12.275 117 HG23 ILE 13 HG23 ILE 13 4.876 8.962 10.821 118 HD11 ILE 13 HD11 ILE 13 2.504 7.962 8.227 119 HD12 ILE 13 HD12 ILE 13 3.927 7.038 8.710 120 HD13 ILE 13 HD13 ILE 13 2.334 6.281 8.733 121 H ILE 14 H ILE 14 0.784 11.457 9.664 122 HA ILE 14 HA ILE 14 2.191 13.679 10.793 123 HB ILE 14 HB ILE 14 0.122 13.482 8.612 124 HG12 ILE 14 HG12 ILE 14 3.068 14.173 8.568 125 HG13 ILE 14 HG13 ILE 14 2.383 12.614 8.125 126 HG21 ILE 14 HG21 ILE 14 0.686 15.868 8.128 127 HG22 ILE 14 HG22 ILE 14 -0.227 15.620 9.615 128 HG23 ILE 14 HG23 ILE 14 1.507 15.931 9.687 129 HD11 ILE 14 HD11 ILE 14 2.169 15.231 6.691 130 HD12 ILE 14 HD12 ILE 14 2.765 13.681 6.096 131 HD13 ILE 14 HD13 ILE 14 1.040 13.912 6.382 132 H SER 15 H SER 15 -1.233 12.740 10.611 133 HA SER 15 HA SER 15 -2.217 14.969 12.043 134 HB2 SER 15 HB2 SER 15 -3.720 13.676 10.666 135 HB3 SER 15 HB3 SER 15 -3.391 12.216 11.600 136 HG SER 15 HG SER 15 -4.822 12.830 13.002 137 H ASN 16 H ASN 16 -0.489 12.232 13.045 138 HA ASN 16 HA ASN 16 -1.497 12.364 15.786 139 HB2 ASN 16 HB2 ASN 16 0.012 10.374 14.188 140 HB3 ASN 16 HB3 ASN 16 0.414 10.462 15.900 141 HD21 ASN 16 HD21 ASN 16 -2.632 10.817 14.120 142 HD22 ASN 16 HD22 ASN 16 -3.481 9.589 14.990 143 H HIS 17 H HIS 17 1.498 12.777 13.944 144 HA HIS 17 HA HIS 17 3.127 13.416 16.175 145 HB2 HIS 17 HB2 HIS 17 3.976 12.657 13.945 146 HB3 HIS 17 HB3 HIS 17 3.547 14.236 13.295 147 HD1 HIS 17 HD1 HIS 17 6.326 12.466 14.664 148 HD2 HIS 17 HD2 HIS 17 4.977 16.391 14.839 149 HE1 HIS 17 HE1 HIS 17 8.317 13.830 15.369 150 H PHE 18 H PHE 18 1.454 15.424 13.768 151 HA PHE 18 HA PHE 18 2.089 17.812 15.337 152 HB2 PHE 18 HB2 PHE 18 0.748 17.623 12.632 153 HB3 PHE 18 HB3 PHE 18 1.348 19.085 13.408 154 HD1 PHE 18 HD1 PHE 18 3.746 19.512 13.572 155 HD2 PHE 18 HD2 PHE 18 2.228 16.096 11.536 156 HE1 PHE 18 HE1 PHE 18 5.932 19.190 12.490 157 HE2 PHE 18 HE2 PHE 18 4.412 15.767 10.452 158 HZ PHE 18 HZ PHE 18 6.268 17.315 10.929 159 H ASP 19 H ASP 19 0.090 19.492 14.969 160 HA ASP 19 HA ASP 19 -2.144 18.204 16.361 161 HB2 ASP 19 HB2 ASP 19 -1.726 21.172 16.039 162 HB3 ASP 19 HB3 ASP 19 -2.696 20.331 17.246 163 H ILE 20 H ILE 20 -1.617 18.219 13.388 164 HA ILE 20 HA ILE 20 -3.751 19.826 12.292 165 HB ILE 20 HB ILE 20 -1.594 19.262 11.077 166 HG12 ILE 20 HG12 ILE 20 -4.131 18.542 9.599 167 HG13 ILE 20 HG13 ILE 20 -3.684 20.191 10.024 168 HG21 ILE 20 HG21 ILE 20 -1.466 17.150 9.907 169 HG22 ILE 20 HG22 ILE 20 -1.596 16.862 11.642 170 HG23 ILE 20 HG23 ILE 20 -3.004 16.639 10.604 171 HD11 ILE 20 HD11 ILE 20 -1.779 18.506 8.473 172 HD12 ILE 20 HD12 ILE 20 -3.153 19.257 7.662 173 HD13 ILE 20 HD13 ILE 20 -1.969 20.259 8.501 174 H GLU 21 H GLU 21 -5.499 18.888 11.006 175 HA GLU 21 HA GLU 21 -6.661 16.599 12.387 176 HB2 GLU 21 HB2 GLU 21 -7.832 18.875 11.800 177 HB3 GLU 21 HB3 GLU 21 -8.071 18.121 10.230 178 HG2 GLU 21 HG2 GLU 21 -9.922 17.240 11.070 179 HG3 GLU 21 HG3 GLU 21 -8.879 16.176 12.012 180 H ALA 22 H ALA 22 -6.782 14.623 11.544 181 HA ALA 22 HA ALA 22 -5.451 13.899 9.192 182 HB1 ALA 22 HB1 ALA 22 -5.740 11.843 9.986 183 HB2 ALA 22 HB2 ALA 22 -6.630 12.563 11.328 184 HB3 ALA 22 HB3 ALA 22 -7.496 11.988 9.903 185 H ASP 23 H ASP 23 -8.559 15.220 9.645 186 HA ASP 23 HA ASP 23 -9.555 14.216 7.087 187 HB2 ASP 23 HB2 ASP 23 -10.963 14.376 9.246 188 HB3 ASP 23 HB3 ASP 23 -11.027 16.104 8.909 189 H GLN 24 H GLN 24 -8.361 17.125 8.600 190 HA GLN 24 HA GLN 24 -9.145 18.849 6.431 191 HB2 GLN 24 HB2 GLN 24 -7.327 19.290 8.803 192 HB3 GLN 24 HB3 GLN 24 -7.743 20.538 7.636 193 HG2 GLN 24 HG2 GLN 24 -9.757 19.045 9.297 194 HG3 GLN 24 HG3 GLN 24 -9.062 20.604 9.741 195 HE21 GLN 24 HE21 GLN 24 -11.750 20.361 9.503 196 HE22 GLN 24 HE22 GLN 24 -12.305 21.203 8.101 197 H VAL 25 H VAL 25 -6.319 17.024 7.361 198 HA VAL 25 HA VAL 25 -4.275 18.179 5.981 199 HB VAL 25 HB VAL 25 -3.454 15.814 5.513 200 HG11 VAL 25 HG11 VAL 25 -4.142 16.889 8.215 201 HG12 VAL 25 HG12 VAL 25 -3.354 15.317 8.064 202 HG13 VAL 25 HG13 VAL 25 -2.571 16.763 7.426 203 HG21 VAL 25 HG21 VAL 25 -5.340 14.620 7.357 204 HG22 VAL 25 HG22 VAL 25 -6.132 15.189 5.888 205 HG23 VAL 25 HG23 VAL 25 -4.790 14.050 5.781 206 H THR 26 H THR 26 -4.449 19.080 4.022 207 HA THR 26 HA THR 26 -5.403 17.376 1.816 208 HB THR 26 HB THR 26 -7.091 19.086 2.248 209 HG1 THR 26 HG1 THR 26 -7.015 20.054 0.114 210 HG21 THR 26 HG21 THR 26 -6.345 21.505 1.663 211 HG22 THR 26 HG22 THR 26 -4.732 20.926 2.080 212 HG23 THR 26 HG23 THR 26 -6.024 20.875 3.278 213 H ASP 27 H ASP 27 -4.586 18.116 -0.338 214 HA ASP 27 HA ASP 27 -1.768 18.288 -0.299 215 HB2 ASP 27 HB2 ASP 27 -3.446 18.976 -2.701 216 HB3 ASP 27 HB3 ASP 27 -1.866 18.199 -2.649 217 H GLN 28 H GLN 28 -4.159 20.669 -0.015 218 HA GLN 28 HA GLN 28 -2.390 22.797 -0.973 219 HB2 GLN 28 HB2 GLN 28 -5.318 22.623 -0.382 220 HB3 GLN 28 HB3 GLN 28 -4.524 24.192 -0.350 221 HG2 GLN 28 HG2 GLN 28 -4.380 24.301 -2.573 222 HG3 GLN 28 HG3 GLN 28 -3.903 22.610 -2.721 223 HE21 GLN 28 HE21 GLN 28 -5.602 21.002 -2.590 224 HE22 GLN 28 HE22 GLN 28 -7.184 21.396 -3.161 225 H LEU 29 H LEU 29 -2.415 21.142 1.682 226 HA LEU 29 HA LEU 29 -1.981 23.484 3.409 227 HB2 LEU 29 HB2 LEU 29 -3.700 21.140 3.837 228 HB3 LEU 29 HB3 LEU 29 -2.658 21.555 5.196 229 HG LEU 29 HG LEU 29 -3.659 23.719 5.391 230 HD11 LEU 29 HD11 LEU 29 -5.740 24.047 3.775 231 HD12 LEU 29 HD12 LEU 29 -4.728 23.080 2.702 232 HD13 LEU 29 HD13 LEU 29 -4.120 24.603 3.352 233 HD21 LEU 29 HD21 LEU 29 -5.174 22.641 6.613 234 HD22 LEU 29 HD22 LEU 29 -5.217 21.283 5.489 235 HD23 LEU 29 HD23 LEU 29 -6.233 22.697 5.203 236 H ASN 30 H ASN 30 0.245 23.167 2.646 237 HA ASN 30 HA ASN 30 1.732 20.841 3.174 238 HB2 ASN 30 HB2 ASN 30 2.551 22.545 1.645 239 HB3 ASN 30 HB3 ASN 30 2.638 23.719 2.955 240 HD21 ASN 30 HD21 ASN 30 4.874 23.705 1.880 241 HD22 ASN 30 HD22 ASN 30 6.050 22.680 2.622 242 H ILE 31 H ILE 31 2.139 19.952 5.079 243 HA ILE 31 HA ILE 31 1.676 21.148 7.559 244 HB ILE 31 HB ILE 31 3.504 18.823 6.945 245 HG12 ILE 31 HG12 ILE 31 1.221 17.780 8.020 246 HG13 ILE 31 HG13 ILE 31 0.577 19.130 7.092 247 HG21 ILE 31 HG21 ILE 31 3.863 19.847 9.168 248 HG22 ILE 31 HG22 ILE 31 2.164 19.565 9.540 249 HG23 ILE 31 HG23 ILE 31 3.243 18.199 9.260 250 HD11 ILE 31 HD11 ILE 31 0.903 16.727 6.049 251 HD12 ILE 31 HD12 ILE 31 1.128 18.197 5.099 252 HD13 ILE 31 HD13 ILE 31 2.527 17.347 5.755 253 H LYS 32 H LYS 32 4.595 20.949 5.610 254 HA LYS 32 HA LYS 32 6.533 21.682 7.423 255 HB2 LYS 32 HB2 LYS 32 7.010 21.070 5.095 256 HB3 LYS 32 HB3 LYS 32 6.287 22.576 4.544 257 HG2 LYS 32 HG2 LYS 32 8.027 23.814 5.802 258 HG3 LYS 32 HG3 LYS 32 8.785 22.270 6.196 259 HD2 LYS 32 HD2 LYS 32 8.787 21.874 3.647 260 HD3 LYS 32 HD3 LYS 32 8.513 23.614 3.528 261 HE2 LYS 32 HE2 LYS 32 10.591 24.133 4.324 262 HE3 LYS 32 HE3 LYS 32 10.706 22.665 5.294 263 HZ1 LYS 32 HZ1 LYS 32 12.186 22.820 3.265 264 HZ2 LYS 32 HZ2 LYS 32 10.789 22.597 2.338 265 HZ3 LYS 32 HZ3 LYS 32 11.279 21.401 3.428 266 H ASP 33 H ASP 33 4.588 23.887 5.406 267 HA ASP 33 HA ASP 33 5.504 26.172 6.942 268 HB2 ASP 33 HB2 ASP 33 5.146 26.202 4.431 269 HB3 ASP 33 HB3 ASP 33 3.416 26.153 4.762 270 H ASP 34 H ASP 34 2.312 24.821 6.093 271 HA ASP 34 HA ASP 34 0.693 26.326 7.683 272 HB2 ASP 34 HB2 ASP 34 0.497 23.352 7.168 273 HB3 ASP 34 HB3 ASP 34 -0.804 24.335 7.833 274 H LEU 35 H LEU 35 2.193 23.254 8.704 275 HA LEU 35 HA LEU 35 1.500 23.747 11.462 276 HB2 LEU 35 HB2 LEU 35 2.324 21.512 9.872 277 HB3 LEU 35 HB3 LEU 35 3.367 21.644 11.287 278 HG LEU 35 HG LEU 35 1.533 20.123 11.722 279 HD11 LEU 35 HD11 LEU 35 0.618 21.187 13.739 280 HD12 LEU 35 HD12 LEU 35 1.251 22.740 13.193 281 HD13 LEU 35 HD13 LEU 35 2.359 21.426 13.589 282 HD21 LEU 35 HD21 LEU 35 -0.780 21.410 11.936 283 HD22 LEU 35 HD22 LEU 35 -0.278 20.623 10.440 284 HD23 LEU 35 HD23 LEU 35 -0.074 22.365 10.631 285 H ASN 36 H ASN 36 4.098 24.496 9.394 286 HA ASN 36 HA ASN 36 6.065 25.590 9.729 287 HB2 ASN 36 HB2 ASN 36 4.416 26.582 11.676 288 HB3 ASN 36 HB3 ASN 36 5.767 25.977 12.630 289 HD21 ASN 36 HD21 ASN 36 7.633 27.084 12.662 290 HD22 ASN 36 HD22 ASN 36 7.926 28.535 11.770 291 H ALA 37 H ALA 37 5.708 22.679 10.243 292 HA ALA 37 HA ALA 37 7.135 21.662 12.348 293 HB1 ALA 37 HB1 ALA 37 7.569 19.719 11.006 294 HB2 ALA 37 HB2 ALA 37 5.963 20.332 10.609 295 HB3 ALA 37 HB3 ALA 37 7.316 20.635 9.520 296 H ASP 38 H ASP 38 9.265 21.310 12.850 297 HA ASP 38 HA ASP 38 11.166 23.178 11.993 298 HB2 ASP 38 HB2 ASP 38 11.173 20.762 13.703 299 HB3 ASP 38 HB3 ASP 38 12.734 21.238 13.040 300 H SER 39 H SER 39 13.403 22.456 11.167 301 HA SER 39 HA SER 39 12.981 21.247 8.578 302 HB2 SER 39 HB2 SER 39 14.883 23.060 9.753 303 HB3 SER 39 HB3 SER 39 15.737 21.732 8.967 304 HG SER 39 HG SER 39 13.896 23.556 7.839 305 H ILE 40 H ILE 40 15.052 20.593 11.397 306 HA ILE 40 HA ILE 40 16.339 18.323 10.522 307 HB ILE 40 HB ILE 40 15.320 18.847 13.317 308 HG12 ILE 40 HG12 ILE 40 16.739 20.656 12.481 309 HG13 ILE 40 HG13 ILE 40 17.583 19.735 13.721 310 HG21 ILE 40 HG21 ILE 40 17.088 17.322 14.040 311 HG22 ILE 40 HG22 ILE 40 15.930 16.510 12.988 312 HG23 ILE 40 HG23 ILE 40 17.501 17.000 12.357 313 HD11 ILE 40 HD11 ILE 40 18.811 18.537 11.974 314 HD12 ILE 40 HD12 ILE 40 17.986 19.503 10.749 315 HD13 ILE 40 HD13 ILE 40 19.072 20.280 11.901 316 H SER 41 H SER 41 13.145 18.562 12.044 317 HA SER 41 HA SER 41 12.533 15.894 12.343 318 HB2 SER 41 HB2 SER 41 10.434 17.772 11.315 319 HB3 SER 41 HB3 SER 41 10.309 16.539 12.569 320 HG SER 41 HG SER 41 10.896 17.963 13.995 321 H VAL 42 H VAL 42 12.456 17.855 9.429 322 HA VAL 42 HA VAL 42 11.033 16.205 7.720 323 HB VAL 42 HB VAL 42 13.459 17.860 7.010 324 HG11 VAL 42 HG11 VAL 42 11.557 16.281 5.433 325 HG12 VAL 42 HG12 VAL 42 11.804 17.930 4.854 326 HG13 VAL 42 HG13 VAL 42 13.180 16.840 5.029 327 HG21 VAL 42 HG21 VAL 42 11.621 19.502 6.304 328 HG22 VAL 42 HG22 VAL 42 10.556 18.548 7.337 329 HG23 VAL 42 HG23 VAL 42 11.968 19.349 8.027 330 H MET 43 H MET 43 14.415 16.023 8.705 331 HA MET 43 HA MET 43 15.240 14.048 6.883 332 HB2 MET 43 HB2 MET 43 16.465 15.536 8.830 333 HB3 MET 43 HB3 MET 43 16.492 13.927 9.538 334 HG2 MET 43 HG2 MET 43 18.521 14.206 8.359 335 HG3 MET 43 HG3 MET 43 17.521 13.103 7.416 336 HE1 MET 43 HE1 MET 43 19.796 16.337 5.692 337 HE2 MET 43 HE2 MET 43 19.890 15.711 7.338 338 HE3 MET 43 HE3 MET 43 20.083 14.618 5.966 339 H GLU 44 H GLU 44 13.384 13.878 9.803 340 HA GLU 44 HA GLU 44 13.743 11.017 10.104 341 HB2 GLU 44 HB2 GLU 44 11.916 12.939 11.558 342 HB3 GLU 44 HB3 GLU 44 12.160 11.251 11.984 343 HG2 GLU 44 HG2 GLU 44 14.674 12.649 11.807 344 HG3 GLU 44 HG3 GLU 44 13.574 13.448 12.929 345 H PHE 45 H PHE 45 11.049 13.224 9.361 346 HA PHE 45 HA PHE 45 9.105 11.284 8.881 347 HB2 PHE 45 HB2 PHE 45 9.386 13.996 7.567 348 HB3 PHE 45 HB3 PHE 45 7.918 13.025 7.617 349 HD1 PHE 45 HD1 PHE 45 7.560 12.154 10.253 350 HD2 PHE 45 HD2 PHE 45 9.249 15.828 8.925 351 HE1 PHE 45 HE1 PHE 45 6.935 13.208 12.386 352 HE2 PHE 45 HE2 PHE 45 8.627 16.888 11.057 353 HZ PHE 45 HZ PHE 45 7.469 15.577 12.791 354 H VAL 46 H VAL 46 11.526 12.682 6.728 355 HA VAL 46 HA VAL 46 10.578 11.463 4.350 356 HB VAL 46 HB VAL 46 12.137 13.420 4.429 357 HG11 VAL 46 HG11 VAL 46 14.270 11.358 4.954 358 HG12 VAL 46 HG12 VAL 46 14.475 13.104 4.799 359 HG13 VAL 46 HG13 VAL 46 13.619 12.436 6.188 360 HG21 VAL 46 HG21 VAL 46 11.914 11.412 2.565 361 HG22 VAL 46 HG22 VAL 46 12.699 12.971 2.311 362 HG23 VAL 46 HG23 VAL 46 13.658 11.565 2.775 363 H LEU 47 H LEU 47 12.408 10.301 7.020 364 HA LEU 47 HA LEU 47 13.602 8.091 5.602 365 HB2 LEU 47 HB2 LEU 47 14.468 9.317 7.713 366 HB3 LEU 47 HB3 LEU 47 13.349 8.267 8.580 367 HG LEU 47 HG LEU 47 14.937 6.655 6.849 368 HD11 LEU 47 HD11 LEU 47 17.155 7.086 7.720 369 HD12 LEU 47 HD12 LEU 47 16.549 8.455 8.651 370 HD13 LEU 47 HD13 LEU 47 16.540 8.515 6.889 371 HD21 LEU 47 HD21 LEU 47 15.779 6.046 9.323 372 HD22 LEU 47 HD22 LEU 47 14.233 5.509 8.665 373 HD23 LEU 47 HD23 LEU 47 14.300 6.921 9.719 374 H GLU 48 H GLU 48 11.146 8.384 8.173 375 HA GLU 48 HA GLU 48 10.373 5.747 8.342 376 HB2 GLU 48 HB2 GLU 48 8.115 6.659 9.024 377 HB3 GLU 48 HB3 GLU 48 9.493 7.282 9.922 378 HG2 GLU 48 HG2 GLU 48 9.468 9.296 8.498 379 HG3 GLU 48 HG3 GLU 48 8.026 8.677 7.696 380 H LEU 49 H LEU 49 9.158 8.228 6.114 381 HA LEU 49 HA LEU 49 7.227 6.623 4.848 382 HB2 LEU 49 HB2 LEU 49 8.771 8.927 3.671 383 HB3 LEU 49 HB3 LEU 49 7.236 8.288 3.087 384 HG LEU 49 HG LEU 49 7.430 9.385 5.863 385 HD11 LEU 49 HD11 LEU 49 8.415 11.001 4.137 386 HD12 LEU 49 HD12 LEU 49 7.119 11.592 5.175 387 HD13 LEU 49 HD13 LEU 49 6.770 11.125 3.511 388 HD21 LEU 49 HD21 LEU 49 5.178 9.530 3.878 389 HD22 LEU 49 HD22 LEU 49 5.112 9.724 5.630 390 HD23 LEU 49 HD23 LEU 49 5.425 8.136 4.929 391 H GLU 50 H GLU 50 10.644 7.191 4.158 392 HA GLU 50 HA GLU 50 10.694 5.737 1.720 393 HB2 GLU 50 HB2 GLU 50 12.506 7.143 1.874 394 HB3 GLU 50 HB3 GLU 50 12.732 6.841 3.591 395 HG2 GLU 50 HG2 GLU 50 14.004 4.983 3.245 396 HG3 GLU 50 HG3 GLU 50 13.236 4.608 1.703 397 H ASP 51 H ASP 51 11.046 4.859 5.082 398 HA ASP 51 HA ASP 51 12.048 2.217 4.529 399 HB2 ASP 51 HB2 ASP 51 12.567 3.476 6.629 400 HB3 ASP 51 HB3 ASP 51 10.883 3.285 7.107 401 H GLU 52 H GLU 52 9.028 3.392 6.029 402 HA GLU 52 HA GLU 52 7.641 1.015 6.074 403 HB2 GLU 52 HB2 GLU 52 7.028 3.775 6.407 404 HB3 GLU 52 HB3 GLU 52 5.798 3.073 5.364 405 HG2 GLU 52 HG2 GLU 52 6.568 1.686 7.890 406 HG3 GLU 52 HG3 GLU 52 5.481 3.073 7.940 407 H PHE 53 H PHE 53 7.343 3.504 3.532 408 HA PHE 53 HA PHE 53 5.884 1.810 1.781 409 HB2 PHE 53 HB2 PHE 53 7.448 4.272 1.000 410 HB3 PHE 53 HB3 PHE 53 6.051 3.583 0.180 411 HD1 PHE 53 HD1 PHE 53 4.440 3.042 2.724 412 HD2 PHE 53 HD2 PHE 53 6.571 6.450 1.326 413 HE1 PHE 53 HE1 PHE 53 2.952 4.503 4.030 414 HE2 PHE 53 HE2 PHE 53 5.088 7.917 2.630 415 HZ PHE 53 HZ PHE 53 3.276 6.944 3.985 416 H GLY 54 H GLY 54 9.267 2.382 2.324 417 HA2 GLY 54 HA2 GLY 54 11.105 1.226 1.553 418 HA3 GLY 54 HA3 GLY 54 10.002 0.118 0.750 419 H THR 55 H THR 55 10.835 3.570 0.411 420 HA THR 55 HA THR 55 11.574 3.063 -2.377 421 HB THR 55 HB THR 55 9.210 3.782 -2.407 422 HG1 THR 55 HG1 THR 55 10.367 4.399 -4.194 423 HG21 THR 55 HG21 THR 55 10.134 6.456 -1.390 424 HG22 THR 55 HG22 THR 55 9.495 5.219 -0.307 425 HG23 THR 55 HG23 THR 55 8.485 5.867 -1.599 426 H GLU 56 H GLU 56 12.984 4.611 -3.282 427 HA GLU 56 HA GLU 56 14.592 5.992 -1.304 428 HB2 GLU 56 HB2 GLU 56 15.528 4.599 -3.217 429 HB3 GLU 56 HB3 GLU 56 15.052 5.914 -4.282 430 HG2 GLU 56 HG2 GLU 56 16.444 7.403 -2.716 431 HG3 GLU 56 HG3 GLU 56 17.142 5.889 -2.144 432 H ILE 57 H ILE 57 14.396 8.072 -0.827 433 HA ILE 57 HA ILE 57 12.863 9.793 -2.653 434 HB ILE 57 HB ILE 57 13.437 10.153 0.291 435 HG12 ILE 57 HG12 ILE 57 10.690 9.840 -0.819 436 HG13 ILE 57 HG13 ILE 57 11.694 8.399 -0.713 437 HG21 ILE 57 HG21 ILE 57 12.690 12.042 -1.708 438 HG22 ILE 57 HG22 ILE 57 11.337 11.819 -0.600 439 HG23 ILE 57 HG23 ILE 57 12.918 12.293 0.022 440 HD11 ILE 57 HD11 ILE 57 12.073 9.274 1.744 441 HD12 ILE 57 HD12 ILE 57 10.524 10.061 1.441 442 HD13 ILE 57 HD13 ILE 57 10.664 8.309 1.306 443 H SER 58 H SER 58 13.980 11.181 -3.837 444 HA SER 58 HA SER 58 16.716 11.612 -3.684 445 HB2 SER 58 HB2 SER 58 14.451 12.874 -5.094 446 HB3 SER 58 HB3 SER 58 15.868 13.903 -4.889 447 HG SER 58 HG SER 58 17.043 11.950 -5.721 448 H ASP 59 H ASP 59 17.755 13.816 -3.363 449 HA ASP 59 HA ASP 59 17.188 14.672 -0.668 450 HB2 ASP 59 HB2 ASP 59 19.414 14.873 -2.548 451 HB3 ASP 59 HB3 ASP 59 19.148 16.363 -1.648 452 H GLU 60 H GLU 60 17.258 16.215 -3.873 453 HA GLU 60 HA GLU 60 16.415 18.757 -3.005 454 HB2 GLU 60 HB2 GLU 60 15.798 19.109 -5.406 455 HB3 GLU 60 HB3 GLU 60 17.443 18.543 -5.156 456 HG2 GLU 60 HG2 GLU 60 16.194 16.189 -5.484 457 HG3 GLU 60 HG3 GLU 60 15.163 17.225 -6.470 458 H ASP 61 H ASP 61 14.589 16.044 -4.402 459 HA ASP 61 HA ASP 61 12.065 17.254 -4.359 460 HB2 ASP 61 HB2 ASP 61 12.813 14.333 -4.120 461 HB3 ASP 61 HB3 ASP 61 11.179 14.924 -4.411 462 H ALA 62 H ALA 62 13.933 15.735 -1.842 463 HA ALA 62 HA ALA 62 12.025 15.102 0.040 464 HB1 ALA 62 HB1 ALA 62 13.730 14.951 1.540 465 HB2 ALA 62 HB2 ALA 62 14.674 14.999 0.050 466 HB3 ALA 62 HB3 ALA 62 14.476 16.461 1.015 467 H GLU 63 H GLU 63 12.963 18.219 -1.098 468 HA GLU 63 HA GLU 63 11.817 19.624 1.168 469 HB2 GLU 63 HB2 GLU 63 13.562 20.284 -1.050 470 HB3 GLU 63 HB3 GLU 63 12.270 21.465 -0.885 471 HG2 GLU 63 HG2 GLU 63 13.266 20.940 1.705 472 HG3 GLU 63 HG3 GLU 63 14.650 21.192 0.643 473 H LYS 64 H LYS 64 10.986 18.788 -2.130 474 HA LYS 64 HA LYS 64 8.479 20.291 -1.930 475 HB2 LYS 64 HB2 LYS 64 8.248 19.956 -4.306 476 HB3 LYS 64 HB3 LYS 64 9.874 20.539 -3.975 477 HG2 LYS 64 HG2 LYS 64 10.732 18.796 -5.027 478 HG3 LYS 64 HG3 LYS 64 9.913 17.697 -3.915 479 HD2 LYS 64 HD2 LYS 64 8.134 17.370 -5.335 480 HD3 LYS 64 HD3 LYS 64 8.352 18.927 -6.139 481 HE2 LYS 64 HE2 LYS 64 10.680 17.337 -6.565 482 HE3 LYS 64 HE3 LYS 64 9.259 16.374 -6.965 483 HZ1 LYS 64 HZ1 LYS 64 10.104 17.649 -8.862 484 HZ2 LYS 64 HZ2 LYS 64 9.817 19.091 -8.026 485 HZ3 LYS 64 HZ3 LYS 64 8.522 18.092 -8.459 486 H ILE 65 H ILE 65 8.865 17.937 -0.333 487 HA ILE 65 HA ILE 65 6.543 16.435 -1.237 488 HB ILE 65 HB ILE 65 7.597 14.256 -0.893 489 HG12 ILE 65 HG12 ILE 65 10.349 14.894 -1.089 490 HG13 ILE 65 HG13 ILE 65 9.694 15.866 0.224 491 HG21 ILE 65 HG21 ILE 65 9.001 16.009 -2.903 492 HG22 ILE 65 HG22 ILE 65 9.028 14.247 -2.912 493 HG23 ILE 65 HG23 ILE 65 7.506 15.107 -3.146 494 HD11 ILE 65 HD11 ILE 65 10.583 13.323 0.473 495 HD12 ILE 65 HD12 ILE 65 9.426 14.093 1.559 496 HD13 ILE 65 HD13 ILE 65 8.854 13.062 0.248 497 H GLU 66 H GLU 66 6.977 18.283 0.906 498 HA GLU 66 HA GLU 66 6.820 16.523 3.259 499 HB2 GLU 66 HB2 GLU 66 7.249 19.511 3.247 500 HB3 GLU 66 HB3 GLU 66 7.418 18.416 4.612 501 HG2 GLU 66 HG2 GLU 66 9.334 17.363 3.562 502 HG3 GLU 66 HG3 GLU 66 9.150 18.402 2.150 503 H THR 67 H THR 67 4.719 17.355 1.197 504 HA THR 67 HA THR 67 2.734 18.365 3.130 505 HB THR 67 HB THR 67 1.743 19.707 1.570 506 HG1 THR 67 HG1 THR 67 1.776 19.243 -0.675 507 HG21 THR 67 HG21 THR 67 4.346 20.105 1.745 508 HG22 THR 67 HG22 THR 67 3.358 21.034 0.618 509 HG23 THR 67 HG23 THR 67 4.300 19.660 0.040 510 H VAL 68 H VAL 68 0.493 17.658 2.693 511 HA VAL 68 HA VAL 68 0.181 14.934 2.718 512 HB VAL 68 HB VAL 68 -1.878 16.865 1.643 513 HG11 VAL 68 HG11 VAL 68 -2.583 14.633 1.255 514 HG12 VAL 68 HG12 VAL 68 -2.065 14.119 2.862 515 HG13 VAL 68 HG13 VAL 68 -3.451 15.196 2.683 516 HG21 VAL 68 HG21 VAL 68 -1.130 16.152 4.470 517 HG22 VAL 68 HG22 VAL 68 -1.153 17.750 3.724 518 HG23 VAL 68 HG23 VAL 68 -2.667 16.900 4.037 519 H GLY 69 H GLY 69 -0.283 17.080 -0.092 520 HA2 GLY 69 HA2 GLY 69 -0.645 14.832 -1.870 521 HA3 GLY 69 HA3 GLY 69 -0.608 16.529 -2.324 522 H ALA 70 H ALA 70 1.878 17.257 -1.296 523 HA ALA 70 HA ALA 70 3.594 16.525 -3.376 524 HB1 ALA 70 HB1 ALA 70 5.187 17.875 -2.380 525 HB2 ALA 70 HB2 ALA 70 3.680 18.540 -1.747 526 HB3 ALA 70 HB3 ALA 70 4.660 17.469 -0.746 527 H ALA 71 H ALA 71 2.788 14.866 -0.504 528 HA ALA 71 HA ALA 71 5.231 13.301 -0.418 529 HB1 ALA 71 HB1 ALA 71 2.718 13.305 1.226 530 HB2 ALA 71 HB2 ALA 71 3.961 12.066 1.409 531 HB3 ALA 71 HB3 ALA 71 4.352 13.759 1.711 532 H VAL 72 H VAL 72 1.785 12.382 -0.567 533 HA VAL 72 HA VAL 72 2.178 9.785 -1.475 534 HB VAL 72 HB VAL 72 0.026 10.477 -0.629 535 HG11 VAL 72 HG11 VAL 72 0.214 12.802 -1.649 536 HG12 VAL 72 HG12 VAL 72 -0.431 12.084 -3.126 537 HG13 VAL 72 HG13 VAL 72 -1.385 12.060 -1.642 538 HG21 VAL 72 HG21 VAL 72 -0.410 9.823 -3.529 539 HG22 VAL 72 HG22 VAL 72 0.238 8.647 -2.386 540 HG23 VAL 72 HG23 VAL 72 -1.369 9.327 -2.135 541 H ASP 73 H ASP 73 1.761 12.779 -3.312 542 HA ASP 73 HA ASP 73 1.603 11.649 -5.871 543 HB2 ASP 73 HB2 ASP 73 1.043 13.991 -5.425 544 HB3 ASP 73 HB3 ASP 73 2.729 14.333 -5.046 545 H TYR 74 H TYR 74 4.287 12.126 -3.745 546 HA TYR 74 HA TYR 74 6.253 11.745 -5.854 547 HB2 TYR 74 HB2 TYR 74 6.693 13.334 -4.004 548 HB3 TYR 74 HB3 TYR 74 6.650 11.994 -2.864 549 HD1 TYR 74 HD2 TYR 74 8.416 13.059 -5.978 550 HD2 TYR 74 HD1 TYR 74 8.642 10.976 -2.275 551 HE1 TYR 74 HE2 TYR 74 10.818 12.679 -6.345 552 HE2 TYR 74 HE1 TYR 74 11.045 10.591 -2.632 553 HH TYR 74 HH TYR 74 12.697 11.839 -5.520 554 H ILE 75 H ILE 75 5.314 10.095 -2.838 555 HA ILE 75 HA ILE 75 6.930 7.841 -3.146 556 HB ILE 75 HB ILE 75 4.219 7.938 -1.818 557 HG12 ILE 75 HG12 ILE 75 5.676 9.690 -0.941 558 HG13 ILE 75 HG13 ILE 75 5.482 8.409 0.251 559 HG21 ILE 75 HG21 ILE 75 5.883 5.774 -2.304 560 HG22 ILE 75 HG22 ILE 75 6.217 6.216 -0.631 561 HG23 ILE 75 HG23 ILE 75 4.567 5.849 -1.133 562 HD11 ILE 75 HD11 ILE 75 7.872 9.452 -0.926 563 HD12 ILE 75 HD12 ILE 75 7.683 8.319 0.413 564 HD13 ILE 75 HD13 ILE 75 7.742 7.723 -1.246 565 H VAL 76 H VAL 76 3.628 8.460 -4.265 566 HA VAL 76 HA VAL 76 3.208 5.861 -5.338 567 HB VAL 76 HB VAL 76 1.833 8.472 -5.986 568 HG11 VAL 76 HG11 VAL 76 1.399 5.681 -6.926 569 HG12 VAL 76 HG12 VAL 76 -0.008 6.708 -6.644 570 HG13 VAL 76 HG13 VAL 76 1.232 7.205 -7.797 571 HG21 VAL 76 HG21 VAL 76 1.699 7.636 -3.620 572 HG22 VAL 76 HG22 VAL 76 0.148 7.811 -4.440 573 HG23 VAL 76 HG23 VAL 76 0.866 6.213 -4.245 574 H SER 77 H SER 77 3.699 8.980 -7.005 575 HA SER 77 HA SER 77 3.993 8.018 -9.572 576 HB2 SER 77 HB2 SER 77 5.361 10.386 -8.275 577 HB3 SER 77 HB3 SER 77 5.328 10.088 -10.012 578 HG SER 77 HG SER 77 3.314 10.725 -10.088 579 H ASN 78 H ASN 78 6.280 7.989 -6.941 580 HA ASN 78 HA ASN 78 8.506 7.234 -8.631 581 HB2 ASN 78 HB2 ASN 78 8.867 8.625 -6.623 582 HB3 ASN 78 HB3 ASN 78 8.288 7.304 -5.613 583 HD21 ASN 78 HD21 ASN 78 10.971 8.782 -6.811 584 HD22 ASN 78 HD22 ASN 78 12.112 7.498 -6.626 585 H SER 79 H SER 79 6.180 5.693 -6.516 586 HA SER 79 HA SER 79 7.352 3.232 -6.084 587 HB2 SER 79 HB2 SER 79 4.693 4.338 -5.949 588 HB3 SER 79 HB3 SER 79 4.631 2.697 -6.592 589 HG SER 79 HG SER 79 4.552 2.599 -4.358 Start of MODEL 19 1 H1 MET 1 H MET 1 2.172 -1.581 1.082 2 HA MET 1 HA MET 1 2.983 0.493 0.413 3 HB2 MET 1 HB2 MET 1 3.943 -1.233 -1.870 4 HB3 MET 1 HB3 MET 1 4.741 0.180 -1.191 5 HG2 MET 1 HG2 MET 1 5.962 -1.391 -0.143 6 HG3 MET 1 HG3 MET 1 4.625 -1.328 1.004 7 HE1 MET 1 HE1 MET 1 6.934 -3.370 -0.681 8 HE2 MET 1 HE2 MET 1 6.163 -4.883 -1.159 9 HE3 MET 1 HE3 MET 1 6.017 -3.456 -2.186 10 H THR 2 H THR 2 0.277 0.011 -0.597 11 HA THR 2 HA THR 2 0.306 1.137 -3.282 12 HB THR 2 HB THR 2 -1.301 -0.672 -2.704 13 HG1 THR 2 HG1 THR 2 -2.855 1.607 -3.248 14 HG21 THR 2 HG21 THR 2 -3.126 1.168 -1.320 15 HG22 THR 2 HG22 THR 2 -1.707 0.695 -0.385 16 HG23 THR 2 HG23 THR 2 -2.794 -0.538 -1.022 17 H ARG 3 H ARG 3 -1.449 2.891 -3.656 18 HA ARG 3 HA ARG 3 -0.622 5.238 -2.382 19 HB2 ARG 3 HB2 ARG 3 -2.472 6.329 -3.537 20 HB3 ARG 3 HB3 ARG 3 -1.659 5.196 -4.609 21 HG2 ARG 3 HG2 ARG 3 -3.440 3.550 -4.176 22 HG3 ARG 3 HG3 ARG 3 -4.268 4.746 -3.176 23 HD2 ARG 3 HD2 ARG 3 -4.557 6.204 -5.062 24 HD3 ARG 3 HD3 ARG 3 -3.561 5.162 -6.076 25 HE ARG 3 HE ARG 3 -5.845 3.815 -4.993 26 HH11 ARG 3 HH11 ARG 3 -4.724 5.892 -7.552 27 HH12 ARG 3 HH12 ARG 3 -5.973 5.423 -8.657 28 HH21 ARG 3 HH21 ARG 3 -7.495 3.189 -6.438 29 HH22 ARG 3 HH22 ARG 3 -7.549 3.886 -8.022 30 H GLU 4 H GLU 4 -3.306 3.067 -1.716 31 HA GLU 4 HA GLU 4 -4.694 4.718 0.097 32 HB2 GLU 4 HB2 GLU 4 -4.968 2.110 -0.938 33 HB3 GLU 4 HB3 GLU 4 -4.927 1.940 0.811 34 HG2 GLU 4 HG2 GLU 4 -6.639 4.002 0.578 35 HG3 GLU 4 HG3 GLU 4 -6.967 3.148 -0.929 36 H GLU 5 H GLU 5 -2.631 1.900 0.840 37 HA GLU 5 HA GLU 5 -2.468 2.237 3.568 38 HB2 GLU 5 HB2 GLU 5 -1.608 0.252 2.484 39 HB3 GLU 5 HB3 GLU 5 -0.368 1.191 1.665 40 HG2 GLU 5 HG2 GLU 5 -0.445 1.248 4.632 41 HG3 GLU 5 HG3 GLU 5 0.157 -0.202 3.832 42 H VAL 6 H VAL 6 -0.375 3.648 1.074 43 HA VAL 6 HA VAL 6 1.395 4.969 2.811 44 HB VAL 6 HB VAL 6 0.589 5.710 -0.005 45 HG11 VAL 6 HG11 VAL 6 2.186 7.115 1.893 46 HG12 VAL 6 HG12 VAL 6 3.225 6.530 0.592 47 HG13 VAL 6 HG13 VAL 6 1.827 7.538 0.219 48 HG21 VAL 6 HG21 VAL 6 1.868 3.449 0.834 49 HG22 VAL 6 HG22 VAL 6 2.030 4.169 -0.768 50 HG23 VAL 6 HG23 VAL 6 3.221 4.525 0.483 51 H LEU 7 H LEU 7 -1.457 6.212 1.071 52 HA LEU 7 HA LEU 7 -1.407 8.813 2.038 53 HB2 LEU 7 HB2 LEU 7 -2.879 8.354 0.277 54 HB3 LEU 7 HB3 LEU 7 -3.639 7.022 1.145 55 HG LEU 7 HG LEU 7 -4.728 8.619 2.645 56 HD11 LEU 7 HD11 LEU 7 -3.042 10.549 1.140 57 HD12 LEU 7 HD12 LEU 7 -3.451 10.499 2.854 58 HD13 LEU 7 HD13 LEU 7 -4.638 11.070 1.681 59 HD21 LEU 7 HD21 LEU 7 -5.916 9.906 0.584 60 HD22 LEU 7 HD22 LEU 7 -6.267 8.241 1.049 61 HD23 LEU 7 HD23 LEU 7 -5.138 8.570 -0.266 62 H GLN 8 H GLN 8 -2.982 5.945 3.412 63 HA GLN 8 HA GLN 8 -4.227 7.207 5.578 64 HB2 GLN 8 HB2 GLN 8 -3.374 4.411 4.977 65 HB3 GLN 8 HB3 GLN 8 -3.852 4.802 6.624 66 HG2 GLN 8 HG2 GLN 8 -5.985 5.734 5.645 67 HG3 GLN 8 HG3 GLN 8 -5.503 4.986 4.124 68 HE21 GLN 8 HE21 GLN 8 -7.848 4.277 5.295 69 HE22 GLN 8 HE22 GLN 8 -7.741 2.667 5.912 70 H LYS 9 H LYS 9 -1.208 5.302 5.627 71 HA LYS 9 HA LYS 9 -0.398 5.794 8.193 72 HB2 LYS 9 HB2 LYS 9 0.917 5.055 5.691 73 HB3 LYS 9 HB3 LYS 9 1.982 5.922 6.789 74 HG2 LYS 9 HG2 LYS 9 2.151 3.515 7.098 75 HG3 LYS 9 HG3 LYS 9 1.516 4.302 8.545 76 HD2 LYS 9 HD2 LYS 9 -0.547 3.448 6.652 77 HD3 LYS 9 HD3 LYS 9 0.411 2.122 7.315 78 HE2 LYS 9 HE2 LYS 9 -0.355 4.054 9.342 79 HE3 LYS 9 HE3 LYS 9 -1.752 3.359 8.521 80 HZ1 LYS 9 HZ1 LYS 9 -1.446 1.419 9.534 81 HZ2 LYS 9 HZ2 LYS 9 -0.369 2.215 10.566 82 HZ3 LYS 9 HZ3 LYS 9 0.214 1.394 9.207 83 H VAL 10 H VAL 10 0.672 7.706 5.373 84 HA VAL 10 HA VAL 10 2.036 9.695 6.687 85 HB VAL 10 HB VAL 10 0.327 9.957 4.211 86 HG11 VAL 10 HG11 VAL 10 0.686 12.152 5.138 87 HG12 VAL 10 HG12 VAL 10 2.409 11.826 5.338 88 HG13 VAL 10 HG13 VAL 10 1.715 11.949 3.721 89 HG21 VAL 10 HG21 VAL 10 1.923 8.688 3.311 90 HG22 VAL 10 HG22 VAL 10 3.012 10.059 3.527 91 HG23 VAL 10 HG23 VAL 10 2.927 8.798 4.756 92 H ALA 11 H ALA 11 -1.440 9.579 5.973 93 HA ALA 11 HA ALA 11 -2.086 12.096 7.057 94 HB1 ALA 11 HB1 ALA 11 -4.302 11.520 6.747 95 HB2 ALA 11 HB2 ALA 11 -3.485 10.488 5.572 96 HB3 ALA 11 HB3 ALA 11 -4.021 9.818 7.113 97 H LYS 12 H LYS 12 -1.787 8.904 8.501 98 HA LYS 12 HA LYS 12 -2.898 9.652 11.027 99 HB2 LYS 12 HB2 LYS 12 -2.343 7.268 9.817 100 HB3 LYS 12 HB3 LYS 12 -1.028 7.379 10.979 101 HG2 LYS 12 HG2 LYS 12 -2.827 7.865 12.717 102 HG3 LYS 12 HG3 LYS 12 -3.979 7.312 11.500 103 HD2 LYS 12 HD2 LYS 12 -3.541 5.383 12.722 104 HD3 LYS 12 HD3 LYS 12 -2.455 5.230 11.339 105 HE2 LYS 12 HE2 LYS 12 -0.687 6.319 12.801 106 HE3 LYS 12 HE3 LYS 12 -1.787 6.058 14.154 107 HZ1 LYS 12 HZ1 LYS 12 -1.319 3.889 14.209 108 HZ2 LYS 12 HZ2 LYS 12 0.047 4.284 13.293 109 HZ3 LYS 12 HZ3 LYS 12 -1.352 3.720 12.526 110 H ILE 13 H ILE 13 0.435 8.760 10.109 111 HA ILE 13 HA ILE 13 1.710 9.499 12.434 112 HB ILE 13 HB ILE 13 2.811 9.819 9.640 113 HG12 ILE 13 HG12 ILE 13 2.895 7.458 11.531 114 HG13 ILE 13 HG13 ILE 13 1.956 7.555 10.046 115 HG21 ILE 13 HG21 ILE 13 4.999 9.535 10.720 116 HG22 ILE 13 HG22 ILE 13 4.157 10.975 11.292 117 HG23 ILE 13 HG23 ILE 13 4.207 9.525 12.296 118 HD11 ILE 13 HD11 ILE 13 4.903 7.271 10.403 119 HD12 ILE 13 HD12 ILE 13 3.795 6.325 9.409 120 HD13 ILE 13 HD13 ILE 13 4.246 7.957 8.917 121 H ILE 14 H ILE 14 0.750 11.528 9.717 122 HA ILE 14 HA ILE 14 2.054 13.881 10.679 123 HB ILE 14 HB ILE 14 -0.069 13.435 8.591 124 HG12 ILE 14 HG12 ILE 14 2.813 14.344 8.425 125 HG13 ILE 14 HG13 ILE 14 2.230 12.725 8.056 126 HG21 ILE 14 HG21 ILE 14 0.277 15.829 7.977 127 HG22 ILE 14 HG22 ILE 14 -0.557 15.586 9.510 128 HG23 ILE 14 HG23 ILE 14 1.147 16.038 9.497 129 HD11 ILE 14 HD11 ILE 14 0.739 13.890 6.321 130 HD12 ILE 14 HD12 ILE 14 1.825 15.263 6.534 131 HD13 ILE 14 HD13 ILE 14 2.460 13.715 5.978 132 H SER 15 H SER 15 -1.325 12.768 10.671 133 HA SER 15 HA SER 15 -2.390 15.003 12.012 134 HB2 SER 15 HB2 SER 15 -3.754 13.354 10.753 135 HB3 SER 15 HB3 SER 15 -3.440 12.162 12.014 136 HG SER 15 HG SER 15 -4.663 13.299 13.414 137 H ASN 16 H ASN 16 -0.549 12.333 13.125 138 HA ASN 16 HA ASN 16 -1.383 12.693 15.898 139 HB2 ASN 16 HB2 ASN 16 0.491 10.720 14.581 140 HB3 ASN 16 HB3 ASN 16 0.206 10.783 16.318 141 HD21 ASN 16 HD21 ASN 16 -2.423 11.142 16.561 142 HD22 ASN 16 HD22 ASN 16 -3.299 9.833 15.851 143 H HIS 17 H HIS 17 1.537 12.945 13.898 144 HA HIS 17 HA HIS 17 3.227 13.850 15.987 145 HB2 HIS 17 HB2 HIS 17 4.069 12.851 13.884 146 HB3 HIS 17 HB3 HIS 17 3.513 14.272 13.004 147 HD1 HIS 17 HD1 HIS 17 6.479 12.924 14.373 148 HD2 HIS 17 HD2 HIS 17 4.826 16.733 14.244 149 HE1 HIS 17 HE1 HIS 17 8.393 14.501 14.785 150 H PHE 18 H PHE 18 1.450 15.555 13.426 151 HA PHE 18 HA PHE 18 2.136 18.118 14.649 152 HB2 PHE 18 HB2 PHE 18 0.689 17.479 12.069 153 HB3 PHE 18 HB3 PHE 18 1.083 19.101 12.630 154 HD1 PHE 18 HD1 PHE 18 3.413 19.861 12.694 155 HD2 PHE 18 HD2 PHE 18 2.343 16.063 11.097 156 HE1 PHE 18 HE1 PHE 18 5.607 19.710 11.591 157 HE2 PHE 18 HE2 PHE 18 4.536 15.906 9.992 158 HZ PHE 18 HZ PHE 18 6.171 17.732 10.237 159 H ASP 19 H ASP 19 0.112 19.737 14.284 160 HA ASP 19 HA ASP 19 -2.021 18.586 15.936 161 HB2 ASP 19 HB2 ASP 19 -1.709 21.522 15.392 162 HB3 ASP 19 HB3 ASP 19 -2.428 20.723 16.787 163 H ILE 20 H ILE 20 -1.675 18.434 12.922 164 HA ILE 20 HA ILE 20 -3.888 19.972 11.888 165 HB ILE 20 HB ILE 20 -1.807 19.349 10.568 166 HG12 ILE 20 HG12 ILE 20 -4.428 18.559 9.287 167 HG13 ILE 20 HG13 ILE 20 -3.968 20.227 9.612 168 HG21 ILE 20 HG21 ILE 20 -1.747 17.184 9.498 169 HG22 ILE 20 HG22 ILE 20 -1.775 16.977 11.249 170 HG23 ILE 20 HG23 ILE 20 -3.241 16.710 10.306 171 HD11 ILE 20 HD11 ILE 20 -3.442 18.771 7.321 172 HD12 ILE 20 HD12 ILE 20 -2.735 20.322 7.776 173 HD13 ILE 20 HD13 ILE 20 -1.899 18.821 8.173 174 H GLU 21 H GLU 21 -5.702 18.951 10.754 175 HA GLU 21 HA GLU 21 -6.793 16.781 12.352 176 HB2 GLU 21 HB2 GLU 21 -7.877 18.919 10.645 177 HB3 GLU 21 HB3 GLU 21 -8.738 17.390 10.535 178 HG2 GLU 21 HG2 GLU 21 -8.137 18.772 13.135 179 HG3 GLU 21 HG3 GLU 21 -9.627 19.005 12.223 180 H ALA 22 H ALA 22 -6.819 14.729 11.727 181 HA ALA 22 HA ALA 22 -5.580 13.791 9.415 182 HB1 ALA 22 HB1 ALA 22 -5.850 11.795 10.368 183 HB2 ALA 22 HB2 ALA 22 -6.613 12.655 11.706 184 HB3 ALA 22 HB3 ALA 22 -7.605 11.967 10.421 185 H ASP 23 H ASP 23 -8.730 15.055 9.855 186 HA ASP 23 HA ASP 23 -9.739 13.826 7.402 187 HB2 ASP 23 HB2 ASP 23 -10.957 15.146 9.753 188 HB3 ASP 23 HB3 ASP 23 -11.758 15.435 8.211 189 H GLN 24 H GLN 24 -8.596 16.862 8.661 190 HA GLN 24 HA GLN 24 -9.536 18.416 6.425 191 HB2 GLN 24 HB2 GLN 24 -7.625 19.072 8.671 192 HB3 GLN 24 HB3 GLN 24 -8.149 20.226 7.452 193 HG2 GLN 24 HG2 GLN 24 -10.484 19.874 8.188 194 HG3 GLN 24 HG3 GLN 24 -9.883 18.830 9.475 195 HE21 GLN 24 HE21 GLN 24 -11.349 21.401 9.536 196 HE22 GLN 24 HE22 GLN 24 -10.388 22.449 10.517 197 H VAL 25 H VAL 25 -6.588 16.784 7.365 198 HA VAL 25 HA VAL 25 -4.672 17.908 5.787 199 HB VAL 25 HB VAL 25 -3.748 15.553 5.493 200 HG11 VAL 25 HG11 VAL 25 -4.410 16.737 8.172 201 HG12 VAL 25 HG12 VAL 25 -3.401 15.299 8.010 202 HG13 VAL 25 HG13 VAL 25 -2.895 16.821 7.274 203 HG21 VAL 25 HG21 VAL 25 -5.738 14.252 5.518 204 HG22 VAL 25 HG22 VAL 25 -4.845 13.852 6.986 205 HG23 VAL 25 HG23 VAL 25 -6.238 14.930 7.068 206 H THR 26 H THR 26 -4.782 18.519 3.733 207 HA THR 26 HA THR 26 -5.766 16.595 1.746 208 HB THR 26 HB THR 26 -7.591 18.180 2.106 209 HG1 THR 26 HG1 THR 26 -7.461 19.117 -0.170 210 HG21 THR 26 HG21 THR 26 -6.153 20.060 2.901 211 HG22 THR 26 HG22 THR 26 -7.354 20.539 1.702 212 HG23 THR 26 HG23 THR 26 -5.667 20.334 1.229 213 H ASP 27 H ASP 27 -5.070 17.151 -0.482 214 HA ASP 27 HA ASP 27 -2.293 17.604 -0.582 215 HB2 ASP 27 HB2 ASP 27 -2.516 17.460 -2.987 216 HB3 ASP 27 HB3 ASP 27 -3.568 16.259 -2.243 217 H GLN 28 H GLN 28 -4.915 19.767 -0.481 218 HA GLN 28 HA GLN 28 -3.383 21.946 -1.689 219 HB2 GLN 28 HB2 GLN 28 -6.256 21.531 -0.991 220 HB3 GLN 28 HB3 GLN 28 -5.639 23.176 -1.065 221 HG2 GLN 28 HG2 GLN 28 -4.875 21.562 -3.364 222 HG3 GLN 28 HG3 GLN 28 -6.620 21.726 -3.171 223 HE21 GLN 28 HE21 GLN 28 -7.205 24.099 -2.496 224 HE22 GLN 28 HE22 GLN 28 -6.515 25.315 -3.510 225 H LEU 29 H LEU 29 -3.086 20.583 1.085 226 HA LEU 29 HA LEU 29 -2.777 23.108 2.548 227 HB2 LEU 29 HB2 LEU 29 -4.265 20.671 3.386 228 HB3 LEU 29 HB3 LEU 29 -3.368 21.568 4.610 229 HG LEU 29 HG LEU 29 -5.550 22.710 2.866 230 HD11 LEU 29 HD11 LEU 29 -6.894 21.609 4.272 231 HD12 LEU 29 HD12 LEU 29 -6.415 22.829 5.451 232 HD13 LEU 29 HD13 LEU 29 -5.590 21.271 5.409 233 HD21 LEU 29 HD21 LEU 29 -4.380 24.583 3.399 234 HD22 LEU 29 HD22 LEU 29 -3.658 23.861 4.837 235 HD23 LEU 29 HD23 LEU 29 -5.326 24.434 4.880 236 H ASN 30 H ASN 30 -0.560 22.757 1.746 237 HA ASN 30 HA ASN 30 1.060 20.601 2.372 238 HB2 ASN 30 HB2 ASN 30 1.974 22.199 0.908 239 HB3 ASN 30 HB3 ASN 30 1.645 23.531 2.012 240 HD21 ASN 30 HD21 ASN 30 3.163 20.408 2.650 241 HD22 ASN 30 HD22 ASN 30 4.680 21.052 3.166 242 H ILE 31 H ILE 31 1.864 19.795 4.197 243 HA ILE 31 HA ILE 31 1.168 20.900 6.723 244 HB ILE 31 HB ILE 31 3.071 18.661 6.027 245 HG12 ILE 31 HG12 ILE 31 0.891 17.579 7.300 246 HG13 ILE 31 HG13 ILE 31 0.161 18.878 6.363 247 HG21 ILE 31 HG21 ILE 31 3.807 19.072 8.128 248 HG22 ILE 31 HG22 ILE 31 2.324 19.898 8.604 249 HG23 ILE 31 HG23 ILE 31 2.374 18.136 8.555 250 HD11 ILE 31 HD11 ILE 31 0.547 16.419 5.410 251 HD12 ILE 31 HD12 ILE 31 0.565 17.860 4.393 252 HD13 ILE 31 HD13 ILE 31 2.082 17.149 4.943 253 H LYS 32 H LYS 32 4.249 20.583 4.979 254 HA LYS 32 HA LYS 32 6.006 21.586 6.823 255 HB2 LYS 32 HB2 LYS 32 6.576 20.742 4.537 256 HB3 LYS 32 HB3 LYS 32 6.034 22.281 3.881 257 HG2 LYS 32 HG2 LYS 32 7.792 23.143 5.733 258 HG3 LYS 32 HG3 LYS 32 8.517 21.593 5.298 259 HD2 LYS 32 HD2 LYS 32 9.482 23.100 3.799 260 HD3 LYS 32 HD3 LYS 32 8.185 22.353 2.865 261 HE2 LYS 32 HE2 LYS 32 6.907 24.473 4.018 262 HE3 LYS 32 HE3 LYS 32 8.522 25.126 3.751 263 HZ1 LYS 32 HZ1 LYS 32 6.705 23.956 1.719 264 HZ2 LYS 32 HZ2 LYS 32 8.321 24.349 1.414 265 HZ3 LYS 32 HZ3 LYS 32 7.220 25.564 1.829 266 H ASP 33 H ASP 33 3.823 23.401 4.723 267 HA ASP 33 HA ASP 33 4.767 25.940 5.774 268 HB2 ASP 33 HB2 ASP 33 4.165 25.715 3.381 269 HB3 ASP 33 HB3 ASP 33 2.504 25.366 3.850 270 H ASP 34 H ASP 34 1.595 24.317 5.554 271 HA ASP 34 HA ASP 34 0.125 25.969 7.171 272 HB2 ASP 34 HB2 ASP 34 -0.795 24.040 5.921 273 HB3 ASP 34 HB3 ASP 34 -0.067 22.950 7.097 274 H LEU 35 H LEU 35 1.816 23.028 8.280 275 HA LEU 35 HA LEU 35 1.452 23.731 11.042 276 HB2 LEU 35 HB2 LEU 35 2.884 21.530 9.599 277 HB3 LEU 35 HB3 LEU 35 3.091 21.760 11.335 278 HG LEU 35 HG LEU 35 1.460 20.029 10.917 279 HD11 LEU 35 HD11 LEU 35 -0.085 22.451 11.790 280 HD12 LEU 35 HD12 LEU 35 1.173 21.725 12.790 281 HD13 LEU 35 HD13 LEU 35 -0.247 20.782 12.339 282 HD21 LEU 35 HD21 LEU 35 0.812 21.288 8.662 283 HD22 LEU 35 HD22 LEU 35 -0.484 21.899 9.690 284 HD23 LEU 35 HD23 LEU 35 -0.281 20.161 9.465 285 H ASN 36 H ASN 36 3.769 24.419 8.625 286 HA ASN 36 HA ASN 36 5.671 25.667 8.638 287 HB2 ASN 36 HB2 ASN 36 4.165 26.783 10.609 288 HB3 ASN 36 HB3 ASN 36 5.600 26.317 11.517 289 HD21 ASN 36 HD21 ASN 36 6.731 28.103 11.807 290 HD22 ASN 36 HD22 ASN 36 7.172 29.230 10.575 291 H ALA 37 H ALA 37 5.605 22.815 9.420 292 HA ALA 37 HA ALA 37 7.283 22.088 11.459 293 HB1 ALA 37 HB1 ALA 37 6.040 20.661 9.674 294 HB2 ALA 37 HB2 ALA 37 7.575 20.743 8.807 295 HB3 ALA 37 HB3 ALA 37 7.511 20.039 10.423 296 H ASP 38 H ASP 38 9.479 21.889 11.766 297 HA ASP 38 HA ASP 38 11.137 23.811 10.528 298 HB2 ASP 38 HB2 ASP 38 11.284 22.091 12.770 299 HB3 ASP 38 HB3 ASP 38 12.702 21.756 11.780 300 H SER 39 H SER 39 13.412 23.061 9.714 301 HA SER 39 HA SER 39 12.927 21.572 7.300 302 HB2 SER 39 HB2 SER 39 14.852 23.488 8.219 303 HB3 SER 39 HB3 SER 39 15.704 22.072 7.601 304 HG SER 39 HG SER 39 13.788 23.669 6.252 305 H ILE 40 H ILE 40 15.054 21.175 10.125 306 HA ILE 40 HA ILE 40 16.309 18.820 9.451 307 HB ILE 40 HB ILE 40 15.342 19.621 12.198 308 HG12 ILE 40 HG12 ILE 40 16.764 21.324 11.169 309 HG13 ILE 40 HG13 ILE 40 17.621 20.518 12.478 310 HG21 ILE 40 HG21 ILE 40 16.592 17.235 11.295 311 HG22 ILE 40 HG22 ILE 40 17.752 18.134 12.272 312 HG23 ILE 40 HG23 ILE 40 16.178 17.707 12.943 313 HD11 ILE 40 HD11 ILE 40 19.148 20.786 10.695 314 HD12 ILE 40 HD12 ILE 40 18.709 19.078 10.739 315 HD13 ILE 40 HD13 ILE 40 17.999 20.141 9.524 316 H SER 41 H SER 41 13.147 19.228 11.008 317 HA SER 41 HA SER 41 12.523 16.606 11.567 318 HB2 SER 41 HB2 SER 41 10.412 18.386 10.400 319 HB3 SER 41 HB3 SER 41 10.312 17.290 11.778 320 HG SER 41 HG SER 41 10.461 19.206 12.743 321 H VAL 42 H VAL 42 12.400 18.282 8.481 322 HA VAL 42 HA VAL 42 10.940 16.476 6.967 323 HB VAL 42 HB VAL 42 13.343 18.058 6.045 324 HG11 VAL 42 HG11 VAL 42 11.391 16.350 4.673 325 HG12 VAL 42 HG12 VAL 42 11.635 17.936 3.937 326 HG13 VAL 42 HG13 VAL 42 13.007 16.853 4.178 327 HG21 VAL 42 HG21 VAL 42 11.519 19.652 5.256 328 HG22 VAL 42 HG22 VAL 42 10.442 18.782 6.349 329 HG23 VAL 42 HG23 VAL 42 11.858 19.619 6.986 330 H MET 43 H MET 43 14.351 16.405 7.872 331 HA MET 43 HA MET 43 15.148 14.273 6.232 332 HB2 MET 43 HB2 MET 43 16.357 15.916 8.121 333 HB3 MET 43 HB3 MET 43 16.497 14.304 8.809 334 HG2 MET 43 HG2 MET 43 18.353 14.181 7.577 335 HG3 MET 43 HG3 MET 43 17.245 13.836 6.251 336 HE1 MET 43 HE1 MET 43 16.534 16.809 4.518 337 HE2 MET 43 HE2 MET 43 17.845 15.909 3.756 338 HE3 MET 43 HE3 MET 43 16.568 15.048 4.615 339 H GLU 44 H GLU 44 13.333 14.358 9.178 340 HA GLU 44 HA GLU 44 13.717 11.539 9.737 341 HB2 GLU 44 HB2 GLU 44 11.742 13.411 11.041 342 HB3 GLU 44 HB3 GLU 44 12.363 11.893 11.675 343 HG2 GLU 44 HG2 GLU 44 14.629 13.425 11.240 344 HG3 GLU 44 HG3 GLU 44 13.444 14.564 11.877 345 H PHE 45 H PHE 45 10.978 13.645 8.867 346 HA PHE 45 HA PHE 45 9.060 11.645 8.571 347 HB2 PHE 45 HB2 PHE 45 9.266 14.245 7.038 348 HB3 PHE 45 HB3 PHE 45 7.815 13.263 7.212 349 HD1 PHE 45 HD1 PHE 45 7.503 12.623 9.902 350 HD2 PHE 45 HD2 PHE 45 9.182 16.173 8.260 351 HE1 PHE 45 HE1 PHE 45 6.923 13.844 11.958 352 HE2 PHE 45 HE2 PHE 45 8.605 17.399 10.313 353 HZ PHE 45 HZ PHE 45 7.474 16.235 12.166 354 H VAL 46 H VAL 46 11.430 12.898 6.280 355 HA VAL 46 HA VAL 46 10.456 11.485 4.020 356 HB VAL 46 HB VAL 46 11.969 13.471 3.904 357 HG11 VAL 46 HG11 VAL 46 14.309 11.677 4.309 358 HG12 VAL 46 HG12 VAL 46 14.174 13.424 4.517 359 HG13 VAL 46 HG13 VAL 46 13.496 12.336 5.728 360 HG21 VAL 46 HG21 VAL 46 13.106 11.073 2.480 361 HG22 VAL 46 HG22 VAL 46 11.593 11.852 2.019 362 HG23 VAL 46 HG23 VAL 46 13.108 12.751 1.939 363 H LEU 47 H LEU 47 12.357 10.573 6.736 364 HA LEU 47 HA LEU 47 13.575 8.283 5.471 365 HB2 LEU 47 HB2 LEU 47 14.421 9.703 7.485 366 HB3 LEU 47 HB3 LEU 47 13.374 8.648 8.431 367 HG LEU 47 HG LEU 47 14.731 6.756 7.188 368 HD11 LEU 47 HD11 LEU 47 16.139 9.157 6.467 369 HD12 LEU 47 HD12 LEU 47 16.407 7.496 5.939 370 HD13 LEU 47 HD13 LEU 47 17.175 8.087 7.412 371 HD21 LEU 47 HD21 LEU 47 14.859 6.649 9.464 372 HD22 LEU 47 HD22 LEU 47 15.334 8.340 9.630 373 HD23 LEU 47 HD23 LEU 47 16.514 7.140 9.101 374 H GLU 48 H GLU 48 11.082 8.779 7.968 375 HA GLU 48 HA GLU 48 10.392 6.107 8.344 376 HB2 GLU 48 HB2 GLU 48 8.139 7.060 9.053 377 HB3 GLU 48 HB3 GLU 48 9.553 7.660 9.907 378 HG2 GLU 48 HG2 GLU 48 9.522 9.701 8.670 379 HG3 GLU 48 HG3 GLU 48 8.259 9.092 7.602 380 H LEU 49 H LEU 49 9.209 8.457 5.985 381 HA LEU 49 HA LEU 49 7.182 6.806 4.894 382 HB2 LEU 49 HB2 LEU 49 8.682 9.088 3.618 383 HB3 LEU 49 HB3 LEU 49 7.179 8.384 3.026 384 HG LEU 49 HG LEU 49 7.302 9.592 5.763 385 HD11 LEU 49 HD11 LEU 49 6.299 11.368 3.687 386 HD12 LEU 49 HD12 LEU 49 8.027 11.046 3.547 387 HD13 LEU 49 HD13 LEU 49 7.371 11.702 5.047 388 HD21 LEU 49 HD21 LEU 49 4.960 9.873 5.460 389 HD22 LEU 49 HD22 LEU 49 5.353 8.229 4.958 390 HD23 LEU 49 HD23 LEU 49 5.069 9.478 3.745 391 H GLU 50 H GLU 50 10.375 7.700 3.568 392 HA GLU 50 HA GLU 50 10.330 5.917 1.417 393 HB2 GLU 50 HB2 GLU 50 12.549 6.487 1.060 394 HB3 GLU 50 HB3 GLU 50 11.957 7.872 1.967 395 HG2 GLU 50 HG2 GLU 50 13.787 7.543 3.206 396 HG3 GLU 50 HG3 GLU 50 12.816 6.293 3.981 397 H ASP 51 H ASP 51 10.840 5.367 4.768 398 HA ASP 51 HA ASP 51 12.198 2.836 4.403 399 HB2 ASP 51 HB2 ASP 51 12.782 4.162 6.345 400 HB3 ASP 51 HB3 ASP 51 11.101 4.196 6.872 401 H GLU 52 H GLU 52 9.156 3.755 6.031 402 HA GLU 52 HA GLU 52 8.072 1.236 6.289 403 HB2 GLU 52 HB2 GLU 52 6.958 3.981 6.135 404 HB3 GLU 52 HB3 GLU 52 5.824 2.659 5.893 405 HG2 GLU 52 HG2 GLU 52 7.234 1.860 8.110 406 HG3 GLU 52 HG3 GLU 52 7.101 3.605 8.326 407 H PHE 53 H PHE 53 7.416 3.531 3.637 408 HA PHE 53 HA PHE 53 5.926 1.701 2.088 409 HB2 PHE 53 HB2 PHE 53 7.461 4.070 1.018 410 HB3 PHE 53 HB3 PHE 53 6.010 3.334 0.345 411 HD1 PHE 53 HD1 PHE 53 4.477 3.040 2.933 412 HD2 PHE 53 HD2 PHE 53 6.699 6.278 1.291 413 HE1 PHE 53 HE1 PHE 53 3.085 4.631 4.194 414 HE2 PHE 53 HE2 PHE 53 5.311 7.873 2.549 415 HZ PHE 53 HZ PHE 53 3.502 7.050 4.004 416 H GLY 54 H GLY 54 9.334 2.295 2.420 417 HA2 GLY 54 HA2 GLY 54 11.122 1.042 1.678 418 HA3 GLY 54 HA3 GLY 54 9.975 -0.094 0.983 419 H THR 55 H THR 55 10.842 3.317 0.401 420 HA THR 55 HA THR 55 11.460 2.623 -2.379 421 HB THR 55 HB THR 55 9.109 3.434 -2.310 422 HG1 THR 55 HG1 THR 55 10.472 3.816 -4.152 423 HG21 THR 55 HG21 THR 55 8.661 5.780 -1.823 424 HG22 THR 55 HG22 THR 55 10.356 6.032 -1.403 425 HG23 THR 55 HG23 THR 55 9.348 4.979 -0.410 426 H GLU 56 H GLU 56 12.523 4.489 -3.529 427 HA GLU 56 HA GLU 56 14.398 5.779 -1.678 428 HB2 GLU 56 HB2 GLU 56 15.810 6.109 -3.698 429 HB3 GLU 56 HB3 GLU 56 15.470 4.420 -3.353 430 HG2 GLU 56 HG2 GLU 56 13.454 5.415 -5.097 431 HG3 GLU 56 HG3 GLU 56 15.035 5.846 -5.747 432 H ILE 57 H ILE 57 14.217 7.873 -1.270 433 HA ILE 57 HA ILE 57 12.674 9.540 -3.145 434 HB ILE 57 HB ILE 57 13.191 10.101 -0.224 435 HG12 ILE 57 HG12 ILE 57 10.731 8.944 -1.556 436 HG13 ILE 57 HG13 ILE 57 11.823 8.080 -0.479 437 HG21 ILE 57 HG21 ILE 57 12.018 12.012 -0.463 438 HG22 ILE 57 HG22 ILE 57 12.521 11.864 -2.146 439 HG23 ILE 57 HG23 ILE 57 10.919 11.315 -1.653 440 HD11 ILE 57 HD11 ILE 57 9.903 8.678 0.771 441 HD12 ILE 57 HD12 ILE 57 11.217 9.729 1.301 442 HD13 ILE 57 HD13 ILE 57 9.978 10.348 0.209 443 H SER 58 H SER 58 13.787 10.972 -4.281 444 HA SER 58 HA SER 58 16.521 11.400 -4.088 445 HB2 SER 58 HB2 SER 58 14.509 13.365 -5.206 446 HB3 SER 58 HB3 SER 58 16.214 13.235 -5.636 447 HG SER 58 HG SER 58 14.096 11.858 -6.597 448 H ASP 59 H ASP 59 17.649 13.454 -3.608 449 HA ASP 59 HA ASP 59 16.912 14.374 -0.974 450 HB2 ASP 59 HB2 ASP 59 19.316 14.107 -2.418 451 HB3 ASP 59 HB3 ASP 59 19.119 15.832 -2.119 452 H GLU 60 H GLU 60 16.715 15.537 -4.236 453 HA GLU 60 HA GLU 60 16.253 18.284 -3.472 454 HB2 GLU 60 HB2 GLU 60 15.704 17.079 -6.177 455 HB3 GLU 60 HB3 GLU 60 16.076 18.752 -5.787 456 HG2 GLU 60 HG2 GLU 60 18.349 17.984 -5.071 457 HG3 GLU 60 HG3 GLU 60 17.944 16.399 -5.727 458 H ASP 61 H ASP 61 14.285 15.841 -5.175 459 HA ASP 61 HA ASP 61 11.867 17.186 -5.099 460 HB2 ASP 61 HB2 ASP 61 12.554 14.259 -5.155 461 HB3 ASP 61 HB3 ASP 61 10.876 14.794 -5.115 462 H ALA 62 H ALA 62 13.383 15.169 -2.644 463 HA ALA 62 HA ALA 62 11.231 14.881 -0.893 464 HB1 ALA 62 HB1 ALA 62 13.228 13.596 -0.580 465 HB2 ALA 62 HB2 ALA 62 14.183 15.056 -0.314 466 HB3 ALA 62 HB3 ALA 62 12.964 14.572 0.865 467 H GLU 63 H GLU 63 12.939 17.683 -1.768 468 HA GLU 63 HA GLU 63 12.421 19.114 0.697 469 HB2 GLU 63 HB2 GLU 63 14.342 19.393 -1.188 470 HB3 GLU 63 HB3 GLU 63 13.201 20.617 -1.727 471 HG2 GLU 63 HG2 GLU 63 13.266 21.643 0.498 472 HG3 GLU 63 HG3 GLU 63 14.441 20.432 1.009 473 H LYS 64 H LYS 64 10.851 18.523 -2.293 474 HA LYS 64 HA LYS 64 8.991 20.756 -1.854 475 HB2 LYS 64 HB2 LYS 64 8.195 20.132 -4.194 476 HB3 LYS 64 HB3 LYS 64 9.800 20.839 -4.067 477 HG2 LYS 64 HG2 LYS 64 10.796 18.616 -4.230 478 HG3 LYS 64 HG3 LYS 64 9.186 17.904 -4.352 479 HD2 LYS 64 HD2 LYS 64 8.997 19.673 -6.337 480 HD3 LYS 64 HD3 LYS 64 10.747 19.442 -6.352 481 HE2 LYS 64 HE2 LYS 64 10.339 17.661 -7.637 482 HE3 LYS 64 HE3 LYS 64 9.795 16.874 -6.156 483 HZ1 LYS 64 HZ1 LYS 64 8.303 17.318 -8.410 484 HZ2 LYS 64 HZ2 LYS 64 7.741 18.475 -7.312 485 HZ3 LYS 64 HZ3 LYS 64 7.718 16.835 -6.898 486 H ILE 65 H ILE 65 9.077 17.270 -2.520 487 HA ILE 65 HA ILE 65 6.270 16.899 -2.230 488 HB ILE 65 HB ILE 65 6.832 14.476 -2.068 489 HG12 ILE 65 HG12 ILE 65 9.615 14.794 -2.844 490 HG13 ILE 65 HG13 ILE 65 9.315 15.431 -1.231 491 HG21 ILE 65 HG21 ILE 65 8.213 15.918 -4.327 492 HG22 ILE 65 HG22 ILE 65 7.605 14.263 -4.349 493 HG23 ILE 65 HG23 ILE 65 6.479 15.614 -4.227 494 HD11 ILE 65 HD11 ILE 65 7.995 12.970 -1.331 495 HD12 ILE 65 HD12 ILE 65 9.562 12.715 -2.098 496 HD13 ILE 65 HD13 ILE 65 9.477 13.368 -0.462 497 H GLU 66 H GLU 66 6.172 18.203 -0.184 498 HA GLU 66 HA GLU 66 6.586 16.439 2.140 499 HB2 GLU 66 HB2 GLU 66 6.724 19.459 2.121 500 HB3 GLU 66 HB3 GLU 66 6.961 18.418 3.518 501 HG2 GLU 66 HG2 GLU 66 8.855 17.377 2.052 502 HG3 GLU 66 HG3 GLU 66 8.760 18.916 1.200 503 H THR 67 H THR 67 4.340 17.818 0.177 504 HA THR 67 HA THR 67 2.379 18.383 2.261 505 HB THR 67 HB THR 67 1.156 19.527 0.713 506 HG1 THR 67 HG1 THR 67 0.651 18.705 -1.200 507 HG21 THR 67 HG21 THR 67 3.712 20.153 0.617 508 HG22 THR 67 HG22 THR 67 2.559 20.897 -0.490 509 HG23 THR 67 HG23 THR 67 3.571 19.560 -1.037 510 H VAL 68 H VAL 68 0.207 17.432 2.104 511 HA VAL 68 HA VAL 68 0.176 14.694 2.288 512 HB VAL 68 HB VAL 68 -2.163 16.374 1.377 513 HG11 VAL 68 HG11 VAL 68 -2.426 13.910 1.191 514 HG12 VAL 68 HG12 VAL 68 -2.131 13.788 2.927 515 HG13 VAL 68 HG13 VAL 68 -3.546 14.657 2.330 516 HG21 VAL 68 HG21 VAL 68 -1.068 15.836 4.129 517 HG22 VAL 68 HG22 VAL 68 -1.301 17.397 3.343 518 HG23 VAL 68 HG23 VAL 68 -2.698 16.441 3.834 519 H GLY 69 H GLY 69 -0.641 16.663 -0.558 520 HA2 GLY 69 HA2 GLY 69 -1.082 14.319 -2.193 521 HA3 GLY 69 HA3 GLY 69 -1.141 15.992 -2.726 522 H ALA 70 H ALA 70 1.385 16.861 -1.974 523 HA ALA 70 HA ALA 70 2.947 16.036 -4.147 524 HB1 ALA 70 HB1 ALA 70 4.232 17.224 -1.731 525 HB2 ALA 70 HB2 ALA 70 4.511 17.565 -3.439 526 HB3 ALA 70 HB3 ALA 70 3.060 18.175 -2.644 527 H ALA 71 H ALA 71 2.465 14.590 -1.095 528 HA ALA 71 HA ALA 71 4.983 13.148 -1.092 529 HB1 ALA 71 HB1 ALA 71 3.889 11.999 0.918 530 HB2 ALA 71 HB2 ALA 71 4.283 13.712 1.065 531 HB3 ALA 71 HB3 ALA 71 2.620 13.213 0.755 532 H VAL 72 H VAL 72 1.587 12.067 -0.882 533 HA VAL 72 HA VAL 72 2.029 9.424 -1.601 534 HB VAL 72 HB VAL 72 -0.089 10.116 -0.665 535 HG11 VAL 72 HG11 VAL 72 -0.062 12.334 -1.939 536 HG12 VAL 72 HG12 VAL 72 -0.812 11.438 -3.262 537 HG13 VAL 72 HG13 VAL 72 -1.624 11.550 -1.700 538 HG21 VAL 72 HG21 VAL 72 -0.569 9.113 -3.467 539 HG22 VAL 72 HG22 VAL 72 0.021 8.107 -2.144 540 HG23 VAL 72 HG23 VAL 72 -1.578 8.844 -2.046 541 H ASP 73 H ASP 73 1.399 12.235 -3.647 542 HA ASP 73 HA ASP 73 1.088 10.895 -6.087 543 HB2 ASP 73 HB2 ASP 73 0.510 13.251 -5.817 544 HB3 ASP 73 HB3 ASP 73 2.203 13.655 -5.547 545 H TYR 74 H TYR 74 3.917 11.645 -4.225 546 HA TYR 74 HA TYR 74 5.722 11.059 -6.429 547 HB2 TYR 74 HB2 TYR 74 6.281 12.860 -4.840 548 HB3 TYR 74 HB3 TYR 74 6.323 11.685 -3.530 549 HD1 TYR 74 HD2 TYR 74 7.880 12.321 -6.866 550 HD2 TYR 74 HD1 TYR 74 8.359 10.763 -2.936 551 HE1 TYR 74 HE2 TYR 74 10.259 11.899 -7.329 552 HE2 TYR 74 HE1 TYR 74 10.739 10.338 -3.387 553 HH TYR 74 HH TYR 74 12.195 11.188 -6.516 554 H ILE 75 H ILE 75 5.046 9.748 -3.186 555 HA ILE 75 HA ILE 75 6.705 7.509 -3.352 556 HB ILE 75 HB ILE 75 4.092 7.703 -1.850 557 HG12 ILE 75 HG12 ILE 75 5.543 9.571 -1.273 558 HG13 ILE 75 HG13 ILE 75 5.498 8.420 0.058 559 HG21 ILE 75 HG21 ILE 75 6.229 6.165 -0.637 560 HG22 ILE 75 HG22 ILE 75 4.550 5.721 -0.943 561 HG23 ILE 75 HG23 ILE 75 5.759 5.525 -2.212 562 HD11 ILE 75 HD11 ILE 75 7.697 8.602 -1.987 563 HD12 ILE 75 HD12 ILE 75 7.745 9.309 -0.372 564 HD13 ILE 75 HD13 ILE 75 7.659 7.559 -0.565 565 H VAL 76 H VAL 76 3.333 7.945 -4.327 566 HA VAL 76 HA VAL 76 2.917 5.222 -5.060 567 HB VAL 76 HB VAL 76 1.410 7.718 -5.848 568 HG11 VAL 76 HG11 VAL 76 0.774 4.810 -6.308 569 HG12 VAL 76 HG12 VAL 76 -0.413 6.108 -6.445 570 HG13 VAL 76 HG13 VAL 76 0.984 6.072 -7.521 571 HG21 VAL 76 HG21 VAL 76 0.686 5.581 -3.849 572 HG22 VAL 76 HG22 VAL 76 1.434 7.121 -3.426 573 HG23 VAL 76 HG23 VAL 76 -0.171 7.091 -4.158 574 H SER 77 H SER 77 3.185 8.155 -7.079 575 HA SER 77 HA SER 77 3.317 6.932 -9.546 576 HB2 SER 77 HB2 SER 77 3.176 9.412 -9.083 577 HB3 SER 77 HB3 SER 77 4.915 9.387 -8.793 578 HG SER 77 HG SER 77 4.784 9.852 -10.899 579 H ASN 78 H ASN 78 5.793 7.231 -7.110 580 HA ASN 78 HA ASN 78 7.909 6.349 -8.876 581 HB2 ASN 78 HB2 ASN 78 8.239 7.963 -6.950 582 HB3 ASN 78 HB3 ASN 78 8.014 6.592 -5.867 583 HD21 ASN 78 HD21 ASN 78 10.336 8.321 -6.300 584 HD22 ASN 78 HD22 ASN 78 11.637 7.265 -6.722 585 H SER 79 H SER 79 5.881 5.007 -6.332 586 HA SER 79 HA SER 79 5.537 2.881 -5.595 587 HB2 SER 79 HB2 SER 79 6.217 2.529 -8.484 588 HB3 SER 79 HB3 SER 79 6.081 1.093 -7.470 589 HG SER 79 HG SER 79 3.984 1.432 -7.233 Start of MODEL 20 1 H1 MET 1 H MET 1 1.908 0.172 1.250 2 HA MET 1 HA MET 1 3.720 -0.001 -0.931 3 HB2 MET 1 HB2 MET 1 1.133 -1.475 -0.410 4 HB3 MET 1 HB3 MET 1 2.293 -1.896 -1.663 5 HG2 MET 1 HG2 MET 1 3.132 -1.749 1.201 6 HG3 MET 1 HG3 MET 1 2.322 -3.180 0.569 7 HE1 MET 1 HE1 MET 1 3.939 -4.743 1.087 8 HE2 MET 1 HE2 MET 1 3.894 -5.211 -0.613 9 HE3 MET 1 HE3 MET 1 5.443 -5.042 0.215 10 H THR 2 H THR 2 0.163 0.249 -1.035 11 HA THR 2 HA THR 2 0.328 1.420 -3.692 12 HB THR 2 HB THR 2 -1.364 -0.338 -3.169 13 HG1 THR 2 HG1 THR 2 -1.975 0.816 -4.897 14 HG21 THR 2 HG21 THR 2 -1.892 0.442 -0.876 15 HG22 THR 2 HG22 THR 2 -3.331 0.230 -1.875 16 HG23 THR 2 HG23 THR 2 -2.699 1.848 -1.570 17 H ARG 3 H ARG 3 -1.414 3.221 -4.076 18 HA ARG 3 HA ARG 3 -0.525 5.535 -2.772 19 HB2 ARG 3 HB2 ARG 3 -1.409 5.939 -4.877 20 HB3 ARG 3 HB3 ARG 3 -2.807 4.908 -4.601 21 HG2 ARG 3 HG2 ARG 3 -4.007 6.559 -3.630 22 HG3 ARG 3 HG3 ARG 3 -2.587 7.316 -2.906 23 HD2 ARG 3 HD2 ARG 3 -1.986 7.893 -5.377 24 HD3 ARG 3 HD3 ARG 3 -3.705 7.618 -5.660 25 HE ARG 3 HE ARG 3 -3.271 9.380 -3.467 26 HH11 ARG 3 HH11 ARG 3 -3.308 9.214 -6.945 27 HH12 ARG 3 HH12 ARG 3 -3.692 10.891 -7.151 28 HH21 ARG 3 HH21 ARG 3 -3.777 11.589 -3.725 29 HH22 ARG 3 HH22 ARG 3 -3.958 12.241 -5.319 30 H GLU 4 H GLU 4 -3.385 3.528 -2.258 31 HA GLU 4 HA GLU 4 -4.713 5.184 -0.430 32 HB2 GLU 4 HB2 GLU 4 -4.783 2.289 -1.105 33 HB3 GLU 4 HB3 GLU 4 -5.511 2.778 0.419 34 HG2 GLU 4 HG2 GLU 4 -6.747 4.539 -1.015 35 HG3 GLU 4 HG3 GLU 4 -6.301 3.501 -2.369 36 H GLU 5 H GLU 5 -2.790 2.270 0.320 37 HA GLU 5 HA GLU 5 -2.687 2.545 3.055 38 HB2 GLU 5 HB2 GLU 5 -0.912 1.276 1.033 39 HB3 GLU 5 HB3 GLU 5 -0.274 1.471 2.660 40 HG2 GLU 5 HG2 GLU 5 -2.928 0.179 2.135 41 HG3 GLU 5 HG3 GLU 5 -1.417 -0.727 2.105 42 H VAL 6 H VAL 6 -0.382 3.857 0.683 43 HA VAL 6 HA VAL 6 1.338 5.109 2.495 44 HB VAL 6 HB VAL 6 0.663 5.910 -0.339 45 HG11 VAL 6 HG11 VAL 6 3.281 6.680 0.320 46 HG12 VAL 6 HG12 VAL 6 1.898 7.726 -0.008 47 HG13 VAL 6 HG13 VAL 6 2.257 7.231 1.646 48 HG21 VAL 6 HG21 VAL 6 1.786 3.598 0.441 49 HG22 VAL 6 HG22 VAL 6 2.193 4.412 -1.070 50 HG23 VAL 6 HG23 VAL 6 3.226 4.613 0.345 51 H LEU 7 H LEU 7 -1.368 6.520 0.651 52 HA LEU 7 HA LEU 7 -1.262 9.090 1.675 53 HB2 LEU 7 HB2 LEU 7 -2.689 8.736 -0.140 54 HB3 LEU 7 HB3 LEU 7 -3.520 7.402 0.659 55 HG LEU 7 HG LEU 7 -3.801 10.034 1.957 56 HD11 LEU 7 HD11 LEU 7 -4.056 10.974 -0.133 57 HD12 LEU 7 HD12 LEU 7 -5.706 10.487 0.250 58 HD13 LEU 7 HD13 LEU 7 -4.725 9.500 -0.833 59 HD21 LEU 7 HD21 LEU 7 -5.032 7.539 2.039 60 HD22 LEU 7 HD22 LEU 7 -6.204 8.597 1.252 61 HD23 LEU 7 HD23 LEU 7 -5.567 9.015 2.843 62 H GLN 8 H GLN 8 -3.024 6.276 2.934 63 HA GLN 8 HA GLN 8 -4.272 7.564 5.085 64 HB2 GLN 8 HB2 GLN 8 -3.512 4.719 4.524 65 HB3 GLN 8 HB3 GLN 8 -4.165 5.159 6.097 66 HG2 GLN 8 HG2 GLN 8 -5.773 6.265 3.984 67 HG3 GLN 8 HG3 GLN 8 -5.584 4.523 3.786 68 HE21 GLN 8 HE21 GLN 8 -7.064 7.035 5.556 69 HE22 GLN 8 HE22 GLN 8 -7.947 6.048 6.666 70 H LYS 9 H LYS 9 -1.374 5.483 5.189 71 HA LYS 9 HA LYS 9 -0.627 5.865 7.792 72 HB2 LYS 9 HB2 LYS 9 0.694 5.053 5.337 73 HB3 LYS 9 HB3 LYS 9 1.795 5.913 6.405 74 HG2 LYS 9 HG2 LYS 9 1.858 3.494 6.761 75 HG3 LYS 9 HG3 LYS 9 1.317 4.361 8.200 76 HD2 LYS 9 HD2 LYS 9 -0.923 3.668 6.524 77 HD3 LYS 9 HD3 LYS 9 0.031 2.235 6.913 78 HE2 LYS 9 HE2 LYS 9 -0.765 4.201 9.034 79 HE3 LYS 9 HE3 LYS 9 -1.864 2.923 8.515 80 HZ1 LYS 9 HZ1 LYS 9 0.500 1.636 8.942 81 HZ2 LYS 9 HZ2 LYS 9 -0.824 1.656 9.996 82 HZ3 LYS 9 HZ3 LYS 9 0.439 2.763 10.203 83 H VAL 10 H VAL 10 0.640 7.783 5.059 84 HA VAL 10 HA VAL 10 2.066 9.658 6.480 85 HB VAL 10 HB VAL 10 0.488 10.071 3.938 86 HG11 VAL 10 HG11 VAL 10 0.936 12.220 4.938 87 HG12 VAL 10 HG12 VAL 10 2.628 11.787 5.192 88 HG13 VAL 10 HG13 VAL 10 2.004 11.988 3.555 89 HG21 VAL 10 HG21 VAL 10 2.041 8.698 3.107 90 HG22 VAL 10 HG22 VAL 10 3.179 10.025 3.338 91 HG23 VAL 10 HG23 VAL 10 3.016 8.778 4.575 92 H ALA 11 H ALA 11 -1.377 9.745 5.625 93 HA ALA 11 HA ALA 11 -1.942 12.275 6.709 94 HB1 ALA 11 HB1 ALA 11 -3.562 11.436 5.264 95 HB2 ALA 11 HB2 ALA 11 -3.632 9.879 6.091 96 HB3 ALA 11 HB3 ALA 11 -4.322 11.313 6.851 97 H LYS 12 H LYS 12 -1.950 9.048 8.139 98 HA LYS 12 HA LYS 12 -3.053 9.862 10.638 99 HB2 LYS 12 HB2 LYS 12 -2.498 7.439 9.405 100 HB3 LYS 12 HB3 LYS 12 -1.364 7.488 10.748 101 HG2 LYS 12 HG2 LYS 12 -3.517 8.200 12.091 102 HG3 LYS 12 HG3 LYS 12 -4.331 7.363 10.767 103 HD2 LYS 12 HD2 LYS 12 -3.980 5.763 12.492 104 HD3 LYS 12 HD3 LYS 12 -2.816 5.405 11.213 105 HE2 LYS 12 HE2 LYS 12 -1.261 5.434 12.813 106 HE3 LYS 12 HE3 LYS 12 -1.465 7.185 12.830 107 HZ1 LYS 12 HZ1 LYS 12 -2.273 7.069 14.872 108 HZ2 LYS 12 HZ2 LYS 12 -1.960 5.407 14.898 109 HZ3 LYS 12 HZ3 LYS 12 -3.473 5.974 14.399 110 H ILE 13 H ILE 13 0.244 8.772 9.805 111 HA ILE 13 HA ILE 13 1.504 9.392 12.168 112 HB ILE 13 HB ILE 13 2.677 9.718 9.403 113 HG12 ILE 13 HG12 ILE 13 2.623 7.323 11.253 114 HG13 ILE 13 HG13 ILE 13 1.707 7.489 9.759 115 HG21 ILE 13 HG21 ILE 13 4.829 9.304 10.524 116 HG22 ILE 13 HG22 ILE 13 4.050 10.781 11.089 117 HG23 ILE 13 HG23 ILE 13 4.003 9.324 12.082 118 HD11 ILE 13 HD11 ILE 13 4.641 7.085 10.137 119 HD12 ILE 13 HD12 ILE 13 3.503 6.178 9.140 120 HD13 ILE 13 HD13 ILE 13 4.011 7.794 8.650 121 H ILE 14 H ILE 14 0.743 11.541 9.474 122 HA ILE 14 HA ILE 14 2.124 13.794 10.571 123 HB ILE 14 HB ILE 14 0.092 13.539 8.361 124 HG12 ILE 14 HG12 ILE 14 3.042 14.218 8.351 125 HG13 ILE 14 HG13 ILE 14 2.355 12.653 7.928 126 HG21 ILE 14 HG21 ILE 14 1.467 16.013 9.390 127 HG22 ILE 14 HG22 ILE 14 0.670 15.909 7.821 128 HG23 ILE 14 HG23 ILE 14 -0.267 15.705 9.301 129 HD11 ILE 14 HD11 ILE 14 2.764 13.655 5.880 130 HD12 ILE 14 HD12 ILE 14 1.044 13.948 6.143 131 HD13 ILE 14 HD13 ILE 14 2.214 15.236 6.433 132 H SER 15 H SER 15 -1.229 12.682 10.535 133 HA SER 15 HA SER 15 -2.315 14.991 11.782 134 HB2 SER 15 HB2 SER 15 -3.759 13.517 10.514 135 HB3 SER 15 HB3 SER 15 -3.370 12.162 11.573 136 HG SER 15 HG SER 15 -4.423 14.477 12.730 137 H ASN 16 H ASN 16 -0.573 12.283 12.953 138 HA ASN 16 HA ASN 16 -1.507 12.642 15.693 139 HB2 ASN 16 HB2 ASN 16 -0.094 10.534 14.201 140 HB3 ASN 16 HB3 ASN 16 0.492 10.782 15.843 141 HD21 ASN 16 HD21 ASN 16 -2.742 10.988 14.408 142 HD22 ASN 16 HD22 ASN 16 -3.472 9.835 15.467 143 H HIS 17 H HIS 17 1.481 12.893 13.802 144 HA HIS 17 HA HIS 17 3.108 13.752 15.960 145 HB2 HIS 17 HB2 HIS 17 4.006 12.778 13.865 146 HB3 HIS 17 HB3 HIS 17 3.501 14.224 12.997 147 HD1 HIS 17 HD1 HIS 17 6.403 12.808 14.413 148 HD2 HIS 17 HD2 HIS 17 4.797 16.639 14.361 149 HE1 HIS 17 HE1 HIS 17 8.322 14.349 14.931 150 H PHE 18 H PHE 18 1.428 15.509 13.369 151 HA PHE 18 HA PHE 18 2.090 18.048 14.656 152 HB2 PHE 18 HB2 PHE 18 0.725 17.473 12.018 153 HB3 PHE 18 HB3 PHE 18 1.137 19.076 12.619 154 HD1 PHE 18 HD1 PHE 18 3.448 19.822 12.694 155 HD2 PHE 18 HD2 PHE 18 2.408 15.994 11.150 156 HE1 PHE 18 HE1 PHE 18 5.673 19.639 11.659 157 HE2 PHE 18 HE2 PHE 18 4.632 15.804 10.114 158 HZ PHE 18 HZ PHE 18 6.267 17.628 10.367 159 H ASP 19 H ASP 19 0.118 19.697 14.298 160 HA ASP 19 HA ASP 19 -2.080 18.545 15.851 161 HB2 ASP 19 HB2 ASP 19 -1.653 21.475 15.294 162 HB3 ASP 19 HB3 ASP 19 -2.567 20.734 16.605 163 H ILE 20 H ILE 20 -1.615 18.437 12.828 164 HA ILE 20 HA ILE 20 -3.835 19.935 11.750 165 HB ILE 20 HB ILE 20 -1.695 19.388 10.489 166 HG12 ILE 20 HG12 ILE 20 -4.258 18.569 9.112 167 HG13 ILE 20 HG13 ILE 20 -3.839 20.239 9.478 168 HG21 ILE 20 HG21 ILE 20 -1.538 17.250 9.387 169 HG22 ILE 20 HG22 ILE 20 -1.640 17.001 11.129 170 HG23 ILE 20 HG23 ILE 20 -3.056 16.725 10.116 171 HD11 ILE 20 HD11 ILE 20 -3.254 18.903 7.163 172 HD12 ILE 20 HD12 ILE 20 -2.480 20.386 7.724 173 HD13 ILE 20 HD13 ILE 20 -1.736 18.822 8.055 174 H GLU 21 H GLU 21 -5.580 18.885 10.535 175 HA GLU 21 HA GLU 21 -6.619 16.606 12.033 176 HB2 GLU 21 HB2 GLU 21 -7.897 18.814 11.461 177 HB3 GLU 21 HB3 GLU 21 -8.148 18.050 9.898 178 HG2 GLU 21 HG2 GLU 21 -10.057 17.519 11.111 179 HG3 GLU 21 HG3 GLU 21 -9.066 16.065 11.205 180 H ALA 22 H ALA 22 -6.802 14.610 11.227 181 HA ALA 22 HA ALA 22 -5.482 13.821 8.896 182 HB1 ALA 22 HB1 ALA 22 -5.764 11.825 9.818 183 HB2 ALA 22 HB2 ALA 22 -6.814 12.554 11.033 184 HB3 ALA 22 HB3 ALA 22 -7.504 11.912 9.542 185 H ASP 23 H ASP 23 -8.592 15.171 9.313 186 HA ASP 23 HA ASP 23 -9.559 14.161 6.746 187 HB2 ASP 23 HB2 ASP 23 -10.877 15.747 8.950 188 HB3 ASP 23 HB3 ASP 23 -11.653 15.445 7.398 189 H GLN 24 H GLN 24 -8.321 17.044 8.247 190 HA GLN 24 HA GLN 24 -9.117 18.796 6.105 191 HB2 GLN 24 HB2 GLN 24 -7.294 19.162 8.481 192 HB3 GLN 24 HB3 GLN 24 -7.597 20.429 7.299 193 HG2 GLN 24 HG2 GLN 24 -9.910 20.507 7.868 194 HG3 GLN 24 HG3 GLN 24 -9.761 19.077 8.887 195 HE21 GLN 24 HE21 GLN 24 -10.867 21.331 9.905 196 HE22 GLN 24 HE22 GLN 24 -9.802 22.051 11.060 197 H VAL 25 H VAL 25 -6.282 16.950 6.993 198 HA VAL 25 HA VAL 25 -4.283 18.096 5.521 199 HB VAL 25 HB VAL 25 -3.489 15.679 5.104 200 HG11 VAL 25 HG11 VAL 25 -4.004 16.757 7.870 201 HG12 VAL 25 HG12 VAL 25 -2.934 15.397 7.523 202 HG13 VAL 25 HG13 VAL 25 -2.568 16.997 6.875 203 HG21 VAL 25 HG21 VAL 25 -5.398 14.829 7.194 204 HG22 VAL 25 HG22 VAL 25 -6.040 14.996 5.560 205 HG23 VAL 25 HG23 VAL 25 -4.684 13.911 5.868 206 H THR 26 H THR 26 -4.558 18.915 3.533 207 HA THR 26 HA THR 26 -5.539 17.094 1.435 208 HB THR 26 HB THR 26 -7.252 18.759 1.775 209 HG1 THR 26 HG1 THR 26 -7.074 19.823 -0.357 210 HG21 THR 26 HG21 THR 26 -5.776 20.453 2.855 211 HG22 THR 26 HG22 THR 26 -6.850 21.130 1.631 212 HG23 THR 26 HG23 THR 26 -5.148 20.861 1.259 213 H ASP 27 H ASP 27 -4.752 17.641 -0.750 214 HA ASP 27 HA ASP 27 -1.947 17.903 -0.791 215 HB2 ASP 27 HB2 ASP 27 -3.773 18.307 -3.161 216 HB3 ASP 27 HB3 ASP 27 -2.109 17.732 -3.167 217 H GLN 28 H GLN 28 -4.411 20.237 -0.673 218 HA GLN 28 HA GLN 28 -2.685 22.330 -1.781 219 HB2 GLN 28 HB2 GLN 28 -5.623 22.175 -1.177 220 HB3 GLN 28 HB3 GLN 28 -4.831 23.731 -1.390 221 HG2 GLN 28 HG2 GLN 28 -4.167 23.141 -3.626 222 HG3 GLN 28 HG3 GLN 28 -4.810 21.513 -3.422 223 HE21 GLN 28 HE21 GLN 28 -6.589 21.280 -4.557 224 HE22 GLN 28 HE22 GLN 28 -7.859 22.440 -4.719 225 H LEU 29 H LEU 29 -2.609 20.913 0.962 226 HA LEU 29 HA LEU 29 -2.280 23.389 2.504 227 HB2 LEU 29 HB2 LEU 29 -3.882 20.979 3.218 228 HB3 LEU 29 HB3 LEU 29 -3.047 21.859 4.497 229 HG LEU 29 HG LEU 29 -5.122 23.009 2.631 230 HD11 LEU 29 HD11 LEU 29 -5.700 22.996 5.473 231 HD12 LEU 29 HD12 LEU 29 -5.501 21.370 4.820 232 HD13 LEU 29 HD13 LEU 29 -6.689 22.464 4.113 233 HD21 LEU 29 HD21 LEU 29 -3.754 24.806 3.176 234 HD22 LEU 29 HD22 LEU 29 -3.420 24.190 4.795 235 HD23 LEU 29 HD23 LEU 29 -5.006 24.866 4.418 236 H ASN 30 H ASN 30 -0.038 22.974 1.819 237 HA ASN 30 HA ASN 30 1.447 20.726 2.507 238 HB2 ASN 30 HB2 ASN 30 2.481 22.277 1.062 239 HB3 ASN 30 HB3 ASN 30 2.198 23.622 2.163 240 HD21 ASN 30 HD21 ASN 30 3.507 20.413 2.835 241 HD22 ASN 30 HD22 ASN 30 5.045 20.964 3.396 242 H ILE 31 H ILE 31 2.104 19.896 4.377 243 HA ILE 31 HA ILE 31 1.369 21.071 6.857 244 HB ILE 31 HB ILE 31 3.179 18.726 6.273 245 HG12 ILE 31 HG12 ILE 31 0.828 17.857 7.486 246 HG13 ILE 31 HG13 ILE 31 0.294 19.095 6.355 247 HG21 ILE 31 HG21 ILE 31 2.704 18.132 8.669 248 HG22 ILE 31 HG22 ILE 31 3.761 19.522 8.431 249 HG23 ILE 31 HG23 ILE 31 2.071 19.765 8.870 250 HD11 ILE 31 HD11 ILE 31 0.835 17.863 4.544 251 HD12 ILE 31 HD12 ILE 31 2.216 17.101 5.334 252 HD13 ILE 31 HD13 ILE 31 0.580 16.540 5.682 253 H LYS 32 H LYS 32 4.476 20.627 5.203 254 HA LYS 32 HA LYS 32 6.231 21.518 7.111 255 HB2 LYS 32 HB2 LYS 32 6.855 20.673 4.857 256 HB3 LYS 32 HB3 LYS 32 6.349 22.211 4.170 257 HG2 LYS 32 HG2 LYS 32 8.593 22.562 4.348 258 HG3 LYS 32 HG3 LYS 32 8.058 23.183 5.912 259 HD2 LYS 32 HD2 LYS 32 8.561 20.972 6.911 260 HD3 LYS 32 HD3 LYS 32 9.193 20.443 5.350 261 HE2 LYS 32 HE2 LYS 32 10.235 22.860 6.809 262 HE3 LYS 32 HE3 LYS 32 10.899 21.244 7.040 263 HZ1 LYS 32 HZ1 LYS 32 11.141 23.042 4.765 264 HZ2 LYS 32 HZ2 LYS 32 10.967 21.399 4.400 265 HZ3 LYS 32 HZ3 LYS 32 12.246 21.917 5.379 266 H ASP 33 H ASP 33 4.239 23.472 4.936 267 HA ASP 33 HA ASP 33 5.250 25.942 6.080 268 HB2 ASP 33 HB2 ASP 33 4.623 25.583 3.614 269 HB3 ASP 33 HB3 ASP 33 2.950 25.701 4.150 270 H ASP 34 H ASP 34 2.025 24.460 5.699 271 HA ASP 34 HA ASP 34 0.538 26.156 7.243 272 HB2 ASP 34 HB2 ASP 34 -0.359 24.222 5.964 273 HB3 ASP 34 HB3 ASP 34 0.254 23.145 7.216 274 H LEU 35 H LEU 35 2.115 23.191 8.448 275 HA LEU 35 HA LEU 35 1.660 23.961 11.188 276 HB2 LEU 35 HB2 LEU 35 2.884 21.630 9.796 277 HB3 LEU 35 HB3 LEU 35 3.269 21.900 11.494 278 HG LEU 35 HG LEU 35 1.422 20.265 11.062 279 HD11 LEU 35 HD11 LEU 35 0.867 22.734 12.693 280 HD12 LEU 35 HD12 LEU 35 1.611 21.229 13.231 281 HD13 LEU 35 HD13 LEU 35 -0.095 21.258 12.784 282 HD21 LEU 35 HD21 LEU 35 -0.785 21.177 10.497 283 HD22 LEU 35 HD22 LEU 35 0.369 21.380 9.178 284 HD23 LEU 35 HD23 LEU 35 -0.051 22.754 10.203 285 H ASN 36 H ASN 36 4.062 24.526 8.847 286 HA ASN 36 HA ASN 36 6.025 25.677 8.910 287 HB2 ASN 36 HB2 ASN 36 4.576 26.928 10.763 288 HB3 ASN 36 HB3 ASN 36 5.802 26.245 11.827 289 HD21 ASN 36 HD21 ASN 36 6.279 28.520 12.217 290 HD22 ASN 36 HD22 ASN 36 7.352 29.341 11.141 291 H ALA 37 H ALA 37 5.839 22.828 9.579 292 HA ALA 37 HA ALA 37 7.415 21.958 11.648 293 HB1 ALA 37 HB1 ALA 37 6.168 20.626 9.821 294 HB2 ALA 37 HB2 ALA 37 7.692 20.715 8.939 295 HB3 ALA 37 HB3 ALA 37 7.634 19.940 10.522 296 H ASP 38 H ASP 38 9.592 21.643 12.007 297 HA ASP 38 HA ASP 38 11.367 23.538 10.887 298 HB2 ASP 38 HB2 ASP 38 11.571 21.308 12.840 299 HB3 ASP 38 HB3 ASP 38 13.069 21.846 12.086 300 H SER 39 H SER 39 13.562 22.852 10.000 301 HA SER 39 HA SER 39 13.104 21.383 7.583 302 HB2 SER 39 HB2 SER 39 15.521 21.885 7.143 303 HB3 SER 39 HB3 SER 39 14.549 23.314 7.496 304 HG SER 39 HG SER 39 16.687 22.984 8.620 305 H ILE 40 H ILE 40 15.172 20.896 10.434 306 HA ILE 40 HA ILE 40 16.414 18.542 9.723 307 HB ILE 40 HB ILE 40 15.420 19.290 12.475 308 HG12 ILE 40 HG12 ILE 40 16.863 21.010 11.513 309 HG13 ILE 40 HG13 ILE 40 17.707 20.158 12.802 310 HG21 ILE 40 HG21 ILE 40 17.166 17.791 13.300 311 HG22 ILE 40 HG22 ILE 40 15.987 16.925 12.316 312 HG23 ILE 40 HG23 ILE 40 17.564 17.340 11.643 313 HD11 ILE 40 HD11 ILE 40 18.477 20.527 10.088 314 HD12 ILE 40 HD12 ILE 40 19.372 19.771 11.407 315 HD13 ILE 40 HD13 ILE 40 18.291 18.802 10.405 316 H SER 41 H SER 41 13.224 18.969 11.208 317 HA SER 41 HA SER 41 12.556 16.347 11.726 318 HB2 SER 41 HB2 SER 41 10.447 18.081 10.527 319 HB3 SER 41 HB3 SER 41 10.392 17.085 11.981 320 HG SER 41 HG SER 41 10.441 19.381 12.381 321 H VAL 42 H VAL 42 12.545 18.058 8.659 322 HA VAL 42 HA VAL 42 11.092 16.285 7.091 323 HB VAL 42 HB VAL 42 13.519 17.879 6.254 324 HG11 VAL 42 HG11 VAL 42 13.257 16.683 4.369 325 HG12 VAL 42 HG12 VAL 42 11.622 16.174 4.798 326 HG13 VAL 42 HG13 VAL 42 11.894 17.765 4.085 327 HG21 VAL 42 HG21 VAL 42 12.073 19.488 7.064 328 HG22 VAL 42 HG22 VAL 42 11.596 19.396 5.369 329 HG23 VAL 42 HG23 VAL 42 10.634 18.579 6.601 330 H MET 43 H MET 43 14.474 16.171 8.086 331 HA MET 43 HA MET 43 15.312 14.071 6.428 332 HB2 MET 43 HB2 MET 43 16.564 15.681 8.188 333 HB3 MET 43 HB3 MET 43 16.462 14.216 9.155 334 HG2 MET 43 HG2 MET 43 17.458 13.035 7.109 335 HG3 MET 43 HG3 MET 43 17.879 14.655 6.558 336 HE1 MET 43 HE1 MET 43 20.325 12.068 9.180 337 HE2 MET 43 HE2 MET 43 18.615 11.736 8.901 338 HE3 MET 43 HE3 MET 43 19.717 11.895 7.533 339 H GLU 44 H GLU 44 13.429 14.098 9.343 340 HA GLU 44 HA GLU 44 13.747 11.253 9.803 341 HB2 GLU 44 HB2 GLU 44 12.034 13.341 11.155 342 HB3 GLU 44 HB3 GLU 44 12.082 11.651 11.634 343 HG2 GLU 44 HG2 GLU 44 14.716 12.891 11.464 344 HG3 GLU 44 HG3 GLU 44 13.650 13.640 12.651 345 H PHE 45 H PHE 45 11.068 13.451 8.978 346 HA PHE 45 HA PHE 45 9.114 11.499 8.582 347 HB2 PHE 45 HB2 PHE 45 9.375 14.157 7.162 348 HB3 PHE 45 HB3 PHE 45 7.905 13.198 7.298 349 HD1 PHE 45 HD1 PHE 45 7.745 12.416 10.029 350 HD2 PHE 45 HD2 PHE 45 9.163 16.080 8.391 351 HE1 PHE 45 HE1 PHE 45 7.188 13.567 12.131 352 HE2 PHE 45 HE2 PHE 45 8.609 17.236 10.491 353 HZ PHE 45 HZ PHE 45 7.621 15.980 12.365 354 H VAL 46 H VAL 46 11.572 12.763 6.407 355 HA VAL 46 HA VAL 46 10.587 11.506 4.055 356 HB VAL 46 HB VAL 46 12.190 13.444 4.101 357 HG11 VAL 46 HG11 VAL 46 13.670 12.396 5.848 358 HG12 VAL 46 HG12 VAL 46 14.298 11.347 4.575 359 HG13 VAL 46 HG13 VAL 46 14.509 13.095 4.464 360 HG21 VAL 46 HG21 VAL 46 12.243 11.094 2.386 361 HG22 VAL 46 HG22 VAL 46 12.219 12.805 1.960 362 HG23 VAL 46 HG23 VAL 46 13.748 12.012 2.335 363 H LEU 47 H LEU 47 12.430 10.407 6.751 364 HA LEU 47 HA LEU 47 13.566 8.128 5.394 365 HB2 LEU 47 HB2 LEU 47 14.407 9.452 7.506 366 HB3 LEU 47 HB3 LEU 47 13.375 8.308 8.362 367 HG LEU 47 HG LEU 47 15.191 7.027 6.468 368 HD11 LEU 47 HD11 LEU 47 17.180 7.349 7.933 369 HD12 LEU 47 HD12 LEU 47 16.309 8.649 8.746 370 HD13 LEU 47 HD13 LEU 47 16.703 8.789 7.033 371 HD21 LEU 47 HD21 LEU 47 15.644 5.643 8.479 372 HD22 LEU 47 HD22 LEU 47 13.932 5.754 8.067 373 HD23 LEU 47 HD23 LEU 47 14.582 6.706 9.403 374 H GLU 48 H GLU 48 11.119 8.586 7.945 375 HA GLU 48 HA GLU 48 10.315 5.963 8.250 376 HB2 GLU 48 HB2 GLU 48 8.075 6.943 8.901 377 HB3 GLU 48 HB3 GLU 48 9.468 7.581 9.763 378 HG2 GLU 48 HG2 GLU 48 9.465 9.550 8.328 379 HG3 GLU 48 HG3 GLU 48 8.081 8.909 7.445 380 H LEU 49 H LEU 49 9.272 8.325 5.838 381 HA LEU 49 HA LEU 49 7.277 6.668 4.672 382 HB2 LEU 49 HB2 LEU 49 8.770 8.976 3.435 383 HB3 LEU 49 HB3 LEU 49 7.252 8.287 2.866 384 HG LEU 49 HG LEU 49 7.426 9.467 5.610 385 HD11 LEU 49 HD11 LEU 49 6.902 11.640 4.793 386 HD12 LEU 49 HD12 LEU 49 6.809 11.060 3.131 387 HD13 LEU 49 HD13 LEU 49 8.363 11.103 3.963 388 HD21 LEU 49 HD21 LEU 49 5.456 8.123 4.726 389 HD22 LEU 49 HD22 LEU 49 5.151 9.484 3.647 390 HD23 LEU 49 HD23 LEU 49 5.099 9.715 5.395 391 H GLU 50 H GLU 50 10.704 7.162 4.091 392 HA GLU 50 HA GLU 50 10.784 5.704 1.637 393 HB2 GLU 50 HB2 GLU 50 12.574 7.155 1.826 394 HB3 GLU 50 HB3 GLU 50 12.815 6.803 3.532 395 HG2 GLU 50 HG2 GLU 50 14.132 5.009 3.123 396 HG3 GLU 50 HG3 GLU 50 13.290 4.590 1.632 397 H ASP 51 H ASP 51 11.130 4.893 5.021 398 HA ASP 51 HA ASP 51 12.072 2.214 4.475 399 HB2 ASP 51 HB2 ASP 51 12.696 3.599 6.520 400 HB3 ASP 51 HB3 ASP 51 11.072 3.270 7.118 401 H GLU 52 H GLU 52 9.150 3.608 5.974 402 HA GLU 52 HA GLU 52 7.685 1.297 6.297 403 HB2 GLU 52 HB2 GLU 52 6.767 4.088 5.608 404 HB3 GLU 52 HB3 GLU 52 5.657 2.787 6.015 405 HG2 GLU 52 HG2 GLU 52 7.866 3.320 7.908 406 HG3 GLU 52 HG3 GLU 52 6.573 4.514 7.811 407 H PHE 53 H PHE 53 7.416 3.519 3.516 408 HA PHE 53 HA PHE 53 5.905 1.638 1.983 409 HB2 PHE 53 HB2 PHE 53 7.336 4.069 0.912 410 HB3 PHE 53 HB3 PHE 53 5.908 3.277 0.253 411 HD1 PHE 53 HD1 PHE 53 4.390 2.935 2.834 412 HD2 PHE 53 HD2 PHE 53 6.513 6.246 1.207 413 HE1 PHE 53 HE1 PHE 53 2.951 4.476 4.102 414 HE2 PHE 53 HE2 PHE 53 5.078 7.793 2.473 415 HZ PHE 53 HZ PHE 53 3.293 6.908 3.922 416 H GLY 54 H GLY 54 9.277 2.390 2.349 417 HA2 GLY 54 HA2 GLY 54 11.122 1.198 1.635 418 HA3 GLY 54 HA3 GLY 54 10.031 0.043 0.884 419 H THR 55 H THR 55 10.803 3.494 0.411 420 HA THR 55 HA THR 55 11.500 2.893 -2.372 421 HB THR 55 HB THR 55 9.160 3.615 -2.430 422 HG1 THR 55 HG1 THR 55 10.737 5.785 -3.355 423 HG21 THR 55 HG21 THR 55 9.731 6.385 -1.637 424 HG22 THR 55 HG22 THR 55 9.780 5.217 -0.316 425 HG23 THR 55 HG23 THR 55 8.325 5.375 -1.300 426 H GLU 56 H GLU 56 12.875 4.431 -3.366 427 HA GLU 56 HA GLU 56 14.560 5.833 -1.470 428 HB2 GLU 56 HB2 GLU 56 15.322 4.404 -3.502 429 HB3 GLU 56 HB3 GLU 56 14.959 5.843 -4.446 430 HG2 GLU 56 HG2 GLU 56 16.541 7.129 -3.116 431 HG3 GLU 56 HG3 GLU 56 16.893 5.701 -2.144 432 H ILE 57 H ILE 57 14.456 7.934 -1.043 433 HA ILE 57 HA ILE 57 12.844 9.638 -2.821 434 HB ILE 57 HB ILE 57 13.485 9.982 0.109 435 HG12 ILE 57 HG12 ILE 57 10.718 9.776 -0.984 436 HG13 ILE 57 HG13 ILE 57 11.671 8.301 -0.868 437 HG21 ILE 57 HG21 ILE 57 13.420 12.142 -0.971 438 HG22 ILE 57 HG22 ILE 57 11.890 11.738 -1.749 439 HG23 ILE 57 HG23 ILE 57 11.966 11.923 0.003 440 HD11 ILE 57 HD11 ILE 57 10.656 10.073 1.301 441 HD12 ILE 57 HD12 ILE 57 10.552 8.320 1.137 442 HD13 ILE 57 HD13 ILE 57 12.085 9.076 1.572 443 H SER 58 H SER 58 14.009 10.891 -4.110 444 HA SER 58 HA SER 58 16.738 11.358 -3.936 445 HB2 SER 58 HB2 SER 58 14.503 12.416 -5.512 446 HB3 SER 58 HB3 SER 58 15.817 13.572 -5.295 447 HG SER 58 HG SER 58 15.718 11.336 -6.833 448 H ASP 59 H ASP 59 17.826 13.484 -3.649 449 HA ASP 59 HA ASP 59 17.085 14.595 -1.090 450 HB2 ASP 59 HB2 ASP 59 19.471 14.524 -2.776 451 HB3 ASP 59 HB3 ASP 59 19.215 16.094 -2.020 452 H GLU 60 H GLU 60 16.788 15.461 -4.424 453 HA GLU 60 HA GLU 60 16.347 18.266 -3.941 454 HB2 GLU 60 HB2 GLU 60 15.609 16.743 -6.436 455 HB3 GLU 60 HB3 GLU 60 15.966 18.457 -6.280 456 HG2 GLU 60 HG2 GLU 60 17.926 16.196 -5.965 457 HG3 GLU 60 HG3 GLU 60 17.799 17.288 -7.343 458 H ASP 61 H ASP 61 14.243 15.695 -5.247 459 HA ASP 61 HA ASP 61 11.848 17.108 -5.036 460 HB2 ASP 61 HB2 ASP 61 12.484 14.168 -5.095 461 HB3 ASP 61 HB3 ASP 61 10.824 14.737 -4.939 462 H ALA 62 H ALA 62 13.744 15.551 -2.617 463 HA ALA 62 HA ALA 62 11.919 14.883 -0.667 464 HB1 ALA 62 HB1 ALA 62 13.934 14.313 0.128 465 HB2 ALA 62 HB2 ALA 62 14.749 15.630 -0.718 466 HB3 ALA 62 HB3 ALA 62 13.946 15.934 0.822 467 H GLU 63 H GLU 63 12.777 18.021 -1.822 468 HA GLU 63 HA GLU 63 11.665 19.395 0.481 469 HB2 GLU 63 HB2 GLU 63 13.496 20.064 -1.563 470 HB3 GLU 63 HB3 GLU 63 12.109 21.124 -1.771 471 HG2 GLU 63 HG2 GLU 63 12.316 21.943 0.466 472 HG3 GLU 63 HG3 GLU 63 13.570 20.759 0.832 473 H LYS 64 H LYS 64 10.758 18.525 -2.779 474 HA LYS 64 HA LYS 64 8.244 20.012 -2.526 475 HB2 LYS 64 HB2 LYS 64 7.960 19.664 -4.901 476 HB3 LYS 64 HB3 LYS 64 9.573 20.296 -4.601 477 HG2 LYS 64 HG2 LYS 64 10.491 18.563 -5.623 478 HG3 LYS 64 HG3 LYS 64 9.646 17.437 -4.557 479 HD2 LYS 64 HD2 LYS 64 8.006 17.032 -6.068 480 HD3 LYS 64 HD3 LYS 64 8.027 18.683 -6.692 481 HE2 LYS 64 HE2 LYS 64 10.498 17.319 -7.287 482 HE3 LYS 64 HE3 LYS 64 9.116 16.402 -7.884 483 HZ1 LYS 64 HZ1 LYS 64 10.082 18.108 -9.440 484 HZ2 LYS 64 HZ2 LYS 64 9.450 19.296 -8.415 485 HZ3 LYS 64 HZ3 LYS 64 8.411 18.206 -9.188 486 H ILE 65 H ILE 65 8.695 17.660 -0.946 487 HA ILE 65 HA ILE 65 6.384 16.118 -1.822 488 HB ILE 65 HB ILE 65 7.485 13.961 -1.446 489 HG12 ILE 65 HG12 ILE 65 10.222 14.685 -1.682 490 HG13 ILE 65 HG13 ILE 65 9.545 15.623 -0.356 491 HG21 ILE 65 HG21 ILE 65 8.780 15.736 -3.506 492 HG22 ILE 65 HG22 ILE 65 8.939 13.981 -3.473 493 HG23 ILE 65 HG23 ILE 65 7.355 14.718 -3.710 494 HD11 ILE 65 HD11 ILE 65 8.575 13.041 0.015 495 HD12 ILE 65 HD12 ILE 65 10.264 12.845 -0.456 496 HD13 ILE 65 HD13 ILE 65 9.845 13.852 0.931 497 H GLU 66 H GLU 66 6.815 17.999 0.306 498 HA GLU 66 HA GLU 66 6.726 16.274 2.684 499 HB2 GLU 66 HB2 GLU 66 7.053 19.275 2.519 500 HB3 GLU 66 HB3 GLU 66 7.117 18.308 3.985 501 HG2 GLU 66 HG2 GLU 66 9.211 17.562 3.574 502 HG3 GLU 66 HG3 GLU 66 8.990 17.568 1.825 503 H THR 67 H THR 67 4.691 17.653 0.512 504 HA THR 67 HA THR 67 2.629 18.383 2.454 505 HB THR 67 HB THR 67 1.645 19.654 0.856 506 HG1 THR 67 HG1 THR 67 1.127 18.873 -1.076 507 HG21 THR 67 HG21 THR 67 3.217 20.826 -0.378 508 HG22 THR 67 HG22 THR 67 4.139 19.376 -0.774 509 HG23 THR 67 HG23 THR 67 4.220 20.057 0.851 510 H VAL 68 H VAL 68 0.424 17.566 2.137 511 HA VAL 68 HA VAL 68 0.214 14.833 2.279 512 HB VAL 68 HB VAL 68 -1.948 16.666 1.236 513 HG11 VAL 68 HG11 VAL 68 -3.134 14.789 1.090 514 HG12 VAL 68 HG12 VAL 68 -1.852 13.846 1.852 515 HG13 VAL 68 HG13 VAL 68 -3.045 14.681 2.848 516 HG21 VAL 68 HG21 VAL 68 -1.103 16.014 4.052 517 HG22 VAL 68 HG22 VAL 68 -1.146 17.598 3.280 518 HG23 VAL 68 HG23 VAL 68 -2.651 16.753 3.642 519 H GLY 69 H GLY 69 -0.346 16.871 -0.586 520 HA2 GLY 69 HA2 GLY 69 -0.773 14.565 -2.275 521 HA3 GLY 69 HA3 GLY 69 -0.733 16.245 -2.789 522 H ALA 70 H ALA 70 1.773 17.007 -1.885 523 HA ALA 70 HA ALA 70 3.430 16.145 -3.968 524 HB1 ALA 70 HB1 ALA 70 3.515 18.221 -2.289 525 HB2 ALA 70 HB2 ALA 70 4.732 17.194 -1.529 526 HB3 ALA 70 HB3 ALA 70 4.916 17.679 -3.214 527 H ALA 71 H ALA 71 2.705 14.675 -0.977 528 HA ALA 71 HA ALA 71 5.158 13.131 -0.842 529 HB1 ALA 71 HB1 ALA 71 4.237 12.161 1.164 530 HB2 ALA 71 HB2 ALA 71 4.022 13.912 1.211 531 HB3 ALA 71 HB3 ALA 71 2.657 12.866 0.821 532 H VAL 72 H VAL 72 1.714 12.190 -0.883 533 HA VAL 72 HA VAL 72 2.112 9.542 -1.631 534 HB VAL 72 HB VAL 72 -0.030 10.289 -0.788 535 HG11 VAL 72 HG11 VAL 72 0.128 12.526 -2.010 536 HG12 VAL 72 HG12 VAL 72 -0.564 11.680 -3.395 537 HG13 VAL 72 HG13 VAL 72 -1.466 11.783 -1.883 538 HG21 VAL 72 HG21 VAL 72 -1.369 8.915 -2.072 539 HG22 VAL 72 HG22 VAL 72 -0.654 9.457 -3.590 540 HG23 VAL 72 HG23 VAL 72 0.243 8.369 -2.532 541 H ASP 73 H ASP 73 1.714 12.426 -3.627 542 HA ASP 73 HA ASP 73 1.501 11.130 -6.115 543 HB2 ASP 73 HB2 ASP 73 0.903 13.474 -5.849 544 HB3 ASP 73 HB3 ASP 73 2.568 13.879 -5.443 545 H TYR 74 H TYR 74 4.197 11.736 -4.051 546 HA TYR 74 HA TYR 74 6.151 11.285 -6.155 547 HB2 TYR 74 HB2 TYR 74 6.594 12.949 -4.377 548 HB3 TYR 74 HB3 TYR 74 6.561 11.658 -3.180 549 HD1 TYR 74 HD2 TYR 74 8.306 12.567 -6.358 550 HD2 TYR 74 HD1 TYR 74 8.567 10.705 -2.541 551 HE1 TYR 74 HE2 TYR 74 10.708 12.181 -6.717 552 HE2 TYR 74 HE1 TYR 74 10.970 10.316 -2.889 553 HH TYR 74 HH TYR 74 12.663 11.640 -5.664 554 H ILE 75 H ILE 75 5.262 9.750 -3.063 555 HA ILE 75 HA ILE 75 6.889 7.498 -3.297 556 HB ILE 75 HB ILE 75 4.185 7.600 -1.959 557 HG12 ILE 75 HG12 ILE 75 5.569 9.437 -1.162 558 HG13 ILE 75 HG13 ILE 75 5.453 8.199 0.084 559 HG21 ILE 75 HG21 ILE 75 4.621 5.587 -1.090 560 HG22 ILE 75 HG22 ILE 75 5.831 5.447 -2.364 561 HG23 ILE 75 HG23 ILE 75 6.304 5.997 -0.757 562 HD11 ILE 75 HD11 ILE 75 7.716 7.516 -1.364 563 HD12 ILE 75 HD12 ILE 75 7.775 9.274 -1.237 564 HD13 ILE 75 HD13 ILE 75 7.659 8.288 0.220 565 H VAL 76 H VAL 76 3.537 7.999 -4.347 566 HA VAL 76 HA VAL 76 3.142 5.373 -5.329 567 HB VAL 76 HB VAL 76 1.744 7.944 -6.079 568 HG11 VAL 76 HG11 VAL 76 -0.064 6.009 -6.567 569 HG12 VAL 76 HG12 VAL 76 1.008 6.679 -7.798 570 HG13 VAL 76 HG13 VAL 76 1.421 5.162 -6.999 571 HG21 VAL 76 HG21 VAL 76 1.622 7.238 -3.683 572 HG22 VAL 76 HG22 VAL 76 0.062 7.314 -4.501 573 HG23 VAL 76 HG23 VAL 76 0.834 5.754 -4.219 574 H SER 77 H SER 77 3.594 8.417 -7.140 575 HA SER 77 HA SER 77 3.873 7.343 -9.664 576 HB2 SER 77 HB2 SER 77 3.697 9.759 -9.225 577 HB3 SER 77 HB3 SER 77 5.325 9.755 -8.547 578 HG SER 77 HG SER 77 4.722 8.940 -11.194 579 H ASN 78 H ASN 78 6.182 7.446 -7.055 580 HA ASN 78 HA ASN 78 8.407 6.653 -8.720 581 HB2 ASN 78 HB2 ASN 78 8.632 8.104 -6.667 582 HB3 ASN 78 HB3 ASN 78 8.271 6.676 -5.701 583 HD21 ASN 78 HD21 ASN 78 10.623 8.349 -7.553 584 HD22 ASN 78 HD22 ASN 78 11.941 7.271 -7.262 585 H SER 79 H SER 79 6.095 5.146 -6.566 586 HA SER 79 HA SER 79 5.605 2.973 -6.108 587 HB2 SER 79 HB2 SER 79 5.225 2.213 -8.208 588 HB3 SER 79 HB3 SER 79 6.701 2.941 -8.841 589 HG SER 79 HG SER 79 7.668 1.093 -8.625
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