NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651239 | 6m3n | 36320 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 1.433 -0.545 -0.479 2 HA MET 1 HA MET 1 -0.513 -2.296 -1.881 3 HB2 MET 1 HB2 MET 1 1.388 -0.167 -2.911 4 HG2 MET 1 HG2 MET 1 -0.641 0.746 -1.830 5 HE1 MET 1 HE1 MET 1 -2.831 -1.778 -0.844 6 HE2 MET 1 HE2 MET 1 -3.409 -0.114 -0.846 7 HE3 MET 1 HE3 MET 1 -1.701 -0.445 -0.568 8 H THR 2 HN THR 2 0.316 -4.200 -2.516 9 HA THR 2 HA THR 2 3.242 -4.581 -2.288 10 HB THR 2 HB THR 2 1.789 -5.843 -0.644 11 HG1 THR 2 HG1 THR 2 3.012 -7.661 -0.894 12 HG21 THR 2 HG21 THR 2 1.080 -7.912 -2.543 13 HG22 THR 2 HG22 THR 2 0.310 -6.382 -2.967 14 HG23 THR 2 HG23 THR 2 0.059 -7.084 -1.368 15 H THR 3 HN THR 3 4.266 -5.865 -3.841 16 HA THR 3 HA THR 3 2.987 -5.783 -6.464 17 HB THR 3 HB THR 3 5.806 -6.445 -5.598 18 HG1 THR 3 HG1 THR 3 5.775 -4.374 -7.115 19 HG21 THR 3 HG21 THR 3 6.100 -6.013 -8.187 20 HG22 THR 3 HG22 THR 3 4.419 -6.546 -8.245 21 HG23 THR 3 HG23 THR 3 5.662 -7.613 -7.586 22 H PHE 4 HN PHE 4 2.110 -7.450 -7.451 23 HA PHE 4 HA PHE 4 2.567 -10.150 -6.359 24 HB2 PHE 4 HB2 PHE 4 0.291 -9.039 -8.018 25 HB3 PHE 4 HB1 PHE 4 0.422 -10.702 -7.458 26 HD1 PHE 4 HD1 PHE 4 0.231 -11.251 -5.057 27 HD2 PHE 4 HD2 PHE 4 -0.263 -7.236 -6.500 28 HE1 PHE 4 HE1 PHE 4 -0.801 -10.601 -2.897 29 HE2 PHE 4 HE2 PHE 4 -1.293 -6.586 -4.340 30 HZ PHE 4 HZ PHE 4 -1.562 -8.268 -2.539 31 H THR 5 HN THR 5 3.324 -11.753 -7.640 32 HA THR 5 HA THR 5 3.759 -11.109 -10.491 33 HB THR 5 HB THR 5 5.929 -12.236 -10.355 34 HG1 THR 5 HG1 THR 5 6.259 -13.474 -8.716 35 HG21 THR 5 HG21 THR 5 5.707 -10.163 -8.165 36 HG22 THR 5 HG22 THR 5 5.669 -9.765 -9.884 37 HG23 THR 5 HG23 THR 5 7.109 -10.502 -9.181 38 H SER 6 HN SER 6 3.819 -12.874 -11.915 39 HA SER 6 HA SER 6 3.173 -15.542 -10.951 40 HB2 SER 6 HB2 SER 6 1.068 -15.723 -12.154 41 HB3 SER 6 HB1 SER 6 0.968 -14.391 -11.007 42 HG SER 6 HG SER 6 0.336 -13.395 -12.780 43 H ILE 7 HN ILE 7 3.216 -17.153 -12.641 44 HA ILE 7 HA ILE 7 4.214 -16.297 -15.248 45 HB ILE 7 HB ILE 7 6.121 -17.843 -15.105 46 HG12 ILE 7 HG12 ILE 7 5.427 -18.074 -12.166 47 HG13 ILE 7 HG11 ILE 7 5.045 -19.316 -13.359 48 HG21 ILE 7 HG21 ILE 7 6.517 -15.501 -14.553 49 HG22 ILE 7 HG22 ILE 7 7.474 -16.516 -13.473 50 HG23 ILE 7 HG23 ILE 7 5.983 -15.774 -12.894 51 HD11 ILE 7 HD11 ILE 7 7.523 -19.305 -13.971 52 HD12 ILE 7 HD12 ILE 7 7.129 -19.968 -12.384 53 HD13 ILE 7 HD13 ILE 7 7.780 -18.335 -12.521 54 H VAL 8 HN VAL 8 4.212 -18.132 -16.801 55 HA VAL 8 HA VAL 8 2.001 -19.946 -16.161 56 HB VAL 8 HB VAL 8 3.399 -19.386 -18.787 57 HG11 VAL 8 HG11 VAL 8 1.784 -21.576 -17.981 58 HG12 VAL 8 HG12 VAL 8 2.297 -21.165 -19.618 59 HG13 VAL 8 HG13 VAL 8 0.770 -20.546 -18.992 60 HG21 VAL 8 HG21 VAL 8 2.157 -17.473 -18.521 61 HG22 VAL 8 HG22 VAL 8 1.070 -18.219 -17.349 62 HG23 VAL 8 HG23 VAL 8 0.850 -18.520 -19.073 63 H THR 9 HN THR 9 2.670 -21.669 -15.089 64 HA THR 9 HA THR 9 4.441 -23.560 -16.405 65 HB THR 9 HB THR 9 5.933 -22.108 -14.937 66 HG1 THR 9 HG1 THR 9 6.354 -24.343 -13.661 67 HG21 THR 9 HG21 THR 9 4.202 -21.821 -13.143 68 HG22 THR 9 HG22 THR 9 5.757 -22.384 -12.531 69 HG23 THR 9 HG23 THR 9 4.420 -23.520 -12.721 70 H THR 10 HN THR 10 4.112 -25.753 -15.509 71 HA THR 10 HA THR 10 1.906 -25.822 -13.550 72 HB THR 10 HB THR 10 0.607 -26.390 -15.319 73 HG1 THR 10 HG1 THR 10 1.446 -28.859 -15.718 74 HG21 THR 10 HG21 THR 10 3.003 -27.589 -16.728 75 HG22 THR 10 HG22 THR 10 2.516 -25.902 -16.890 76 HG23 THR 10 HG23 THR 10 1.444 -27.185 -17.444 77 H ASN 11 HN ASN 11 3.280 -26.424 -11.911 78 HA ASN 11 HA ASN 11 3.882 -29.254 -11.775 79 HB2 ASN 11 HB2 ASN 11 6.312 -28.678 -11.093 80 HB3 ASN 11 HB1 ASN 11 5.915 -28.716 -12.811 81 HD21 ASN 11 HD21 ASN 11 7.914 -27.022 -11.105 82 HD22 ASN 11 HD22 ASN 11 7.607 -25.436 -11.625 83 HA PRO 12 HA PRO 12 3.128 -26.666 -7.828 84 HB2 PRO 12 HB2 PRO 12 0.550 -27.520 -7.355 85 HB3 PRO 12 HB1 PRO 12 0.957 -26.024 -8.216 86 HG2 PRO 12 HG2 PRO 12 0.157 -28.677 -9.304 87 HG3 PRO 12 HG1 PRO 12 -0.294 -27.050 -9.846 88 HD2 PRO 12 HD2 PRO 12 1.594 -28.530 -11.134 89 HD3 PRO 12 HD1 PRO 12 1.672 -26.756 -11.048 90 H ASP 13 HN ASP 13 4.358 -27.879 -6.467 91 HA ASP 13 HA ASP 13 3.710 -30.702 -6.030 92 HB2 ASP 13 HB2 ASP 13 5.833 -30.829 -4.882 93 HB3 ASP 13 HB1 ASP 13 6.077 -29.976 -6.406 94 H PHE 14 HN PHE 14 3.841 -31.465 -3.709 95 HA PHE 14 HA PHE 14 2.247 -29.639 -2.024 96 HB2 PHE 14 HB2 PHE 14 2.621 -32.642 -1.861 97 HB3 PHE 14 HB1 PHE 14 1.605 -31.682 -0.786 98 HD1 PHE 14 HD1 PHE 14 -0.429 -30.560 -1.638 99 HD2 PHE 14 HD2 PHE 14 1.949 -33.124 -4.133 100 HE1 PHE 14 HE1 PHE 14 -2.288 -30.693 -3.275 101 HE2 PHE 14 HE2 PHE 14 0.091 -33.256 -5.770 102 HZ PHE 14 HZ PHE 14 -2.028 -32.041 -5.341 103 H GLY 15 HN GLY 15 5.322 -31.002 -2.403 104 HA2 GLY 15 HA2 GLY 15 6.194 -31.356 0.239 105 HA3 GLY 15 HA1 GLY 15 7.231 -31.001 -1.136 106 H GLY 16 HN GLY 16 6.127 -28.435 -1.797 107 HA2 GLY 16 HA2 GLY 16 7.099 -26.893 0.530 108 HA3 GLY 16 HA1 GLY 16 7.304 -26.402 -1.148 109 H PHE 17 HN PHE 17 6.317 -24.386 -0.247 110 HA PHE 17 HA PHE 17 3.374 -24.606 -0.115 111 HB2 PHE 17 HB2 PHE 17 3.397 -22.482 1.081 112 HB3 PHE 17 HB1 PHE 17 4.459 -23.635 1.891 113 HD1 PHE 17 HD1 PHE 17 4.283 -20.535 -0.054 114 HD2 PHE 17 HD2 PHE 17 6.916 -23.441 1.701 115 HE1 PHE 17 HE1 PHE 17 6.187 -18.969 -0.320 116 HE2 PHE 17 HE2 PHE 17 8.821 -21.874 1.436 117 HZ PHE 17 HZ PHE 17 8.456 -19.638 0.426 118 H GLU 18 HN GLU 18 2.437 -24.150 -1.982 119 HA GLU 18 HA GLU 18 3.053 -21.671 -3.347 120 HB2 GLU 18 HB2 GLU 18 3.353 -24.305 -4.812 121 HB3 GLU 18 HB1 GLU 18 3.421 -22.699 -5.542 122 HG2 GLU 18 HG2 GLU 18 5.287 -23.665 -3.355 123 HG3 GLU 18 HG1 GLU 18 5.686 -23.657 -5.072 124 H PHE 19 HN PHE 19 1.274 -20.877 -4.448 125 HA PHE 19 HA PHE 19 -1.111 -22.625 -4.433 126 HB2 PHE 19 HB2 PHE 19 -1.250 -20.679 -2.895 127 HB3 PHE 19 HB1 PHE 19 -1.005 -19.607 -4.273 128 HD1 PHE 19 HD1 PHE 19 -2.781 -19.206 -5.895 129 HD2 PHE 19 HD2 PHE 19 -3.289 -22.068 -2.729 130 HE1 PHE 19 HE1 PHE 19 -5.203 -19.334 -6.395 131 HE2 PHE 19 HE2 PHE 19 -5.712 -22.195 -3.235 132 HZ PHE 19 HZ PHE 19 -6.669 -20.827 -5.068 133 H TYR 20 HN TYR 20 -2.068 -23.018 -6.325 134 HA TYR 20 HA TYR 20 -1.443 -21.267 -8.619 135 HB2 TYR 20 HB2 TYR 20 -1.424 -24.294 -8.617 136 HB3 TYR 20 HB1 TYR 20 -1.279 -23.280 -10.054 137 HD1 TYR 20 HD1 TYR 20 0.743 -22.021 -10.516 138 HD2 TYR 20 HD2 TYR 20 0.367 -24.344 -6.923 139 HE1 TYR 20 HE1 TYR 20 3.177 -21.783 -10.108 140 HE2 TYR 20 HE2 TYR 20 2.802 -24.108 -6.515 141 HH TYR 20 HH TYR 20 4.782 -21.956 -8.422 142 H VAL 21 HN VAL 21 -3.090 -20.976 -10.098 143 HA VAL 21 HA VAL 21 -5.744 -21.808 -9.178 144 HB VAL 21 HB VAL 21 -4.886 -19.850 -11.325 145 HG11 VAL 21 HG11 VAL 21 -7.125 -21.072 -11.635 146 HG12 VAL 21 HG12 VAL 21 -7.189 -19.311 -11.605 147 HG13 VAL 21 HG13 VAL 21 -7.657 -20.234 -10.178 148 HG21 VAL 21 HG21 VAL 21 -4.421 -19.113 -9.009 149 HG22 VAL 21 HG22 VAL 21 -6.096 -19.448 -8.571 150 HG23 VAL 21 HG23 VAL 21 -5.727 -18.166 -9.724 151 H GLU 22 HN GLU 22 -6.653 -23.566 -10.010 152 HA GLU 22 HA GLU 22 -5.569 -24.913 -12.296 153 HB2 GLU 22 HB2 GLU 22 -8.133 -25.347 -10.740 154 HB3 GLU 22 HB1 GLU 22 -7.527 -26.430 -11.994 155 HG2 GLU 22 HG2 GLU 22 -6.618 -27.440 -10.120 156 HG3 GLU 22 HG1 GLU 22 -5.312 -26.332 -10.536 157 H ALA 23 HN ALA 23 -6.355 -25.001 -14.383 158 HA ALA 23 HA ALA 23 -7.532 -22.794 -15.518 159 HB1 ALA 23 HB1 ALA 23 -7.466 -25.678 -16.366 160 HB2 ALA 23 HB2 ALA 23 -6.591 -24.305 -17.042 161 HB3 ALA 23 HB3 ALA 23 -8.321 -24.479 -17.337 162 H GLY 24 HN GLY 24 -9.482 -21.909 -15.430 163 HA2 GLY 24 HA2 GLY 24 -11.803 -21.754 -15.369 164 HA3 GLY 24 HA1 GLY 24 -11.889 -23.512 -15.291 165 H GLN 25 HN GLN 25 -9.701 -22.400 -13.008 166 HA GLN 25 HA GLN 25 -11.694 -22.750 -10.870 167 HB2 GLN 25 HB2 GLN 25 -9.672 -24.218 -10.896 168 HB3 GLN 25 HB1 GLN 25 -8.675 -22.781 -10.674 169 HG2 GLN 25 HG2 GLN 25 -9.104 -23.845 -8.508 170 HG3 GLN 25 HG1 GLN 25 -9.897 -22.272 -8.579 171 HE21 GLN 25 HE21 GLN 25 -11.937 -22.404 -7.648 172 HE22 GLN 25 HE22 GLN 25 -12.997 -23.720 -7.806 173 H GLN 26 HN GLN 26 -12.298 -21.101 -9.617 174 HA GLN 26 HA GLN 26 -11.310 -18.451 -10.140 175 HB2 GLN 26 HB2 GLN 26 -13.678 -18.888 -9.582 176 HB3 GLN 26 HB1 GLN 26 -13.187 -19.414 -7.972 177 HG2 GLN 26 HG2 GLN 26 -12.234 -17.206 -7.512 178 HG3 GLN 26 HG1 GLN 26 -12.649 -16.669 -9.139 179 HE21 GLN 26 HE21 GLN 26 -13.773 -15.115 -7.232 180 HE22 GLN 26 HE22 GLN 26 -15.413 -15.483 -7.004 181 H PHE 27 HN PHE 27 -9.752 -17.387 -9.128 182 HA PHE 27 HA PHE 27 -8.119 -18.643 -7.151 183 HB2 PHE 27 HB2 PHE 27 -7.170 -17.086 -8.762 184 HB3 PHE 27 HB1 PHE 27 -8.210 -15.793 -8.161 185 HD1 PHE 27 HD1 PHE 27 -5.393 -18.048 -7.297 186 HD2 PHE 27 HD2 PHE 27 -7.676 -14.596 -6.155 187 HE1 PHE 27 HE1 PHE 27 -3.702 -17.503 -5.566 188 HE2 PHE 27 HE2 PHE 27 -5.985 -14.049 -4.425 189 HZ PHE 27 HZ PHE 27 -3.999 -15.502 -4.130 190 H ASP 28 HN ASP 28 -8.334 -18.631 -4.995 191 HA ASP 28 HA ASP 28 -10.467 -17.043 -3.794 192 HB2 ASP 28 HB2 ASP 28 -10.222 -19.422 -3.187 193 HB3 ASP 28 HB1 ASP 28 -8.607 -19.090 -2.562 194 H ASP 29 HN ASP 29 -9.825 -14.952 -3.597 195 HA ASP 29 HA ASP 29 -7.190 -14.151 -2.856 196 HB2 ASP 29 HB2 ASP 29 -8.171 -11.907 -2.652 197 HB3 ASP 29 HB1 ASP 29 -8.685 -12.693 -4.143 198 H SER 30 HN SER 30 -10.071 -14.973 -1.069 199 HA SER 30 HA SER 30 -9.438 -13.682 1.372 200 HB2 SER 30 HB2 SER 30 -11.093 -16.146 0.797 201 HB3 SER 30 HB1 SER 30 -11.009 -15.357 2.368 202 HG SER 30 HG SER 30 -12.644 -14.762 0.487 203 H ALA 31 HN ALA 31 -8.688 -16.901 0.096 204 HA ALA 31 HA ALA 31 -7.507 -17.942 2.429 205 HB1 ALA 31 HB1 ALA 31 -6.218 -19.351 0.587 206 HB2 ALA 31 HB2 ALA 31 -7.425 -18.625 -0.475 207 HB3 ALA 31 HB3 ALA 31 -7.934 -19.608 0.899 208 H TYR 32 HN TYR 32 -6.177 -16.066 -0.236 209 HA TYR 32 HA TYR 32 -3.454 -16.327 0.401 210 HB2 TYR 32 HB2 TYR 32 -5.096 -14.390 -1.144 211 HB3 TYR 32 HB1 TYR 32 -3.485 -13.865 -0.652 212 HD1 TYR 32 HD1 TYR 32 -2.017 -14.082 -2.454 213 HD2 TYR 32 HD2 TYR 32 -4.858 -17.205 -1.670 214 HE1 TYR 32 HE1 TYR 32 -0.999 -15.458 -4.247 215 HE2 TYR 32 HE2 TYR 32 -3.843 -18.580 -3.466 216 HH TYR 32 HH TYR 32 -0.848 -17.686 -4.985 217 H GLU 33 HN GLU 33 -5.948 -14.163 1.638 218 HA GLU 33 HA GLU 33 -4.263 -12.431 3.098 219 HB2 GLU 33 HB2 GLU 33 -7.128 -13.284 3.581 220 HB3 GLU 33 HB1 GLU 33 -6.320 -11.976 4.449 221 HG2 GLU 33 HG2 GLU 33 -5.895 -10.818 2.318 222 HG3 GLU 33 HG1 GLU 33 -6.702 -12.126 1.451 223 H GLU 34 HN GLU 34 -5.840 -15.486 3.919 224 HA GLU 34 HA GLU 34 -4.704 -15.496 6.599 225 HB2 GLU 34 HB2 GLU 34 -6.416 -17.465 5.075 226 HB3 GLU 34 HB1 GLU 34 -5.824 -17.753 6.713 227 HG2 GLU 34 HG2 GLU 34 -6.957 -15.774 7.526 228 HG3 GLU 34 HG1 GLU 34 -7.440 -15.334 5.890 229 H ALA 35 HN ALA 35 -3.941 -16.659 3.451 230 HA ALA 35 HA ALA 35 -2.116 -18.685 4.459 231 HB1 ALA 35 HB1 ALA 35 -3.123 -17.892 1.758 232 HB2 ALA 35 HB2 ALA 35 -3.090 -19.483 2.520 233 HB3 ALA 35 HB3 ALA 35 -1.605 -18.783 1.874 234 H TYR 36 HN TYR 36 -2.041 -15.385 3.400 235 HA TYR 36 HA TYR 36 0.911 -15.449 3.542 236 HB2 TYR 36 HB2 TYR 36 -0.800 -13.695 1.763 237 HB3 TYR 36 HB1 TYR 36 0.958 -13.639 1.884 238 HD1 TYR 36 HD1 TYR 36 -1.885 -15.294 0.385 239 HD2 TYR 36 HD2 TYR 36 2.299 -15.710 1.265 240 HE1 TYR 36 HE1 TYR 36 -1.712 -17.113 -1.293 241 HE2 TYR 36 HE2 TYR 36 2.471 -17.528 -0.412 242 HH TYR 36 HH TYR 36 1.203 -19.031 -1.628 243 H GLY 37 HN GLY 37 -1.927 -14.346 4.889 244 HA2 GLY 37 HA2 GLY 37 -2.384 -12.831 6.567 245 HA3 GLY 37 HA1 GLY 37 -0.645 -12.739 6.825 246 H VAL 38 HN VAL 38 -2.076 -11.947 3.712 247 HA VAL 38 HA VAL 38 -1.678 -9.080 4.291 248 HB VAL 38 HB VAL 38 -0.654 -8.813 2.059 249 HG11 VAL 38 HG11 VAL 38 0.563 -10.643 4.112 250 HG12 VAL 38 HG12 VAL 38 0.975 -8.970 3.732 251 HG13 VAL 38 HG13 VAL 38 1.452 -10.266 2.636 252 HG21 VAL 38 HG21 VAL 38 0.207 -11.109 1.107 253 HG22 VAL 38 HG22 VAL 38 -1.436 -10.582 0.740 254 HG23 VAL 38 HG23 VAL 38 -1.154 -11.779 2.005 255 H SER 39 HN SER 39 -2.795 -7.652 2.828 256 HA SER 39 HA SER 39 -5.428 -8.671 2.139 257 HB2 SER 39 HB2 SER 39 -4.237 -5.896 1.981 258 HB3 SER 39 HB1 SER 39 -5.910 -6.284 1.591 259 HG SER 39 HG SER 39 -5.441 -7.398 3.903 260 H VAL 40 HN VAL 40 -6.009 -9.358 0.189 261 HA VAL 40 HA VAL 40 -4.281 -8.713 -2.115 262 HB VAL 40 HB VAL 40 -6.243 -10.986 -1.728 263 HG11 VAL 40 HG11 VAL 40 -4.453 -10.130 -4.000 264 HG12 VAL 40 HG12 VAL 40 -6.158 -10.579 -4.050 265 HG13 VAL 40 HG13 VAL 40 -4.927 -11.817 -3.803 266 HG21 VAL 40 HG21 VAL 40 -3.644 -10.643 -0.718 267 HG22 VAL 40 HG22 VAL 40 -3.448 -11.671 -2.138 268 HG23 VAL 40 HG23 VAL 40 -4.534 -12.162 -0.837 269 HA PRO 41 HA PRO 41 -7.797 -6.189 -3.342 270 HB2 PRO 41 HB2 PRO 41 -6.610 -5.150 -5.576 271 HB3 PRO 41 HB1 PRO 41 -6.271 -4.564 -3.934 272 HG2 PRO 41 HG2 PRO 41 -4.700 -6.450 -5.631 273 HG3 PRO 41 HG1 PRO 41 -4.135 -5.123 -4.600 274 HD2 PRO 41 HD2 PRO 41 -4.023 -7.724 -3.802 275 HD3 PRO 41 HD1 PRO 41 -4.279 -6.388 -2.656 276 H SER 42 HN SER 42 -9.455 -6.446 -4.821 277 HA SER 42 HA SER 42 -9.700 -8.899 -6.173 278 HB2 SER 42 HB2 SER 42 -11.774 -7.976 -7.075 279 HB3 SER 42 HB1 SER 42 -11.617 -7.577 -5.367 280 HG SER 42 HG SER 42 -12.162 -5.864 -7.067 281 H ALA 43 HN ALA 43 -8.563 -5.748 -7.276 282 HA ALA 43 HA ALA 43 -8.823 -6.141 -10.043 283 HB1 ALA 43 HB1 ALA 43 -7.317 -4.353 -8.263 284 HB2 ALA 43 HB2 ALA 43 -8.175 -3.994 -9.762 285 HB3 ALA 43 HB3 ALA 43 -6.536 -4.643 -9.818 286 H VAL 44 HN VAL 44 -6.217 -7.037 -7.811 287 HA VAL 44 HA VAL 44 -4.476 -8.054 -9.836 288 HB VAL 44 HB VAL 44 -4.610 -8.518 -6.850 289 HG11 VAL 44 HG11 VAL 44 -2.910 -9.704 -8.985 290 HG12 VAL 44 HG12 VAL 44 -3.374 -10.366 -7.417 291 HG13 VAL 44 HG13 VAL 44 -2.081 -9.171 -7.521 292 HG21 VAL 44 HG21 VAL 44 -4.054 -6.216 -7.642 293 HG22 VAL 44 HG22 VAL 44 -2.718 -6.888 -8.576 294 HG23 VAL 44 HG23 VAL 44 -2.701 -6.987 -6.815 295 H VAL 45 HN VAL 45 -6.863 -9.488 -7.663 296 HA VAL 45 HA VAL 45 -6.409 -12.195 -8.253 297 HB VAL 45 HB VAL 45 -8.857 -10.725 -7.281 298 HG11 VAL 45 HG11 VAL 45 -9.843 -12.666 -8.093 299 HG12 VAL 45 HG12 VAL 45 -9.352 -13.204 -6.486 300 HG13 VAL 45 HG13 VAL 45 -8.372 -13.619 -7.893 301 HG21 VAL 45 HG21 VAL 45 -8.018 -11.079 -5.184 302 HG22 VAL 45 HG22 VAL 45 -6.478 -11.165 -6.038 303 HG23 VAL 45 HG23 VAL 45 -7.334 -12.646 -5.614 304 H GLU 46 HN GLU 46 -8.680 -9.880 -9.806 305 HA GLU 46 HA GLU 46 -10.013 -11.790 -11.376 306 HB2 GLU 46 HB2 GLU 46 -10.732 -9.956 -12.777 307 HB3 GLU 46 HB1 GLU 46 -10.747 -9.421 -11.095 308 HG2 GLU 46 HG2 GLU 46 -8.547 -8.369 -11.404 309 HG3 GLU 46 HG1 GLU 46 -8.520 -8.900 -13.084 310 H GLU 47 HN GLU 47 -7.020 -9.972 -12.003 311 HA GLU 47 HA GLU 47 -6.658 -10.779 -14.664 312 HB2 GLU 47 HB2 GLU 47 -4.664 -10.062 -12.507 313 HB3 GLU 47 HB1 GLU 47 -4.207 -10.363 -14.184 314 HG2 GLU 47 HG2 GLU 47 -5.619 -8.551 -14.957 315 HG3 GLU 47 HG1 GLU 47 -6.272 -8.314 -13.337 316 H MET 48 HN MET 48 -5.711 -12.333 -11.611 317 HA MET 48 HA MET 48 -4.262 -14.471 -12.787 318 HB2 MET 48 HB2 MET 48 -5.698 -14.228 -10.133 319 HB3 MET 48 HB1 MET 48 -4.696 -15.609 -10.583 320 HG2 MET 48 HG2 MET 48 -3.766 -12.724 -10.468 321 HG3 MET 48 HG1 MET 48 -3.398 -13.968 -9.272 322 HE1 MET 48 HE1 MET 48 -3.125 -12.390 -12.379 323 HE2 MET 48 HE2 MET 48 -2.146 -13.336 -13.497 324 HE3 MET 48 HE3 MET 48 -1.359 -12.310 -12.300 325 H ASN 49 HN ASN 49 -7.642 -14.010 -11.892 326 HA ASN 49 HA ASN 49 -8.535 -16.646 -12.426 327 HB2 ASN 49 HB2 ASN 49 -9.957 -13.981 -12.395 328 HB3 ASN 49 HB1 ASN 49 -10.791 -15.511 -12.664 329 HD21 ASN 49 HD21 ASN 49 -11.296 -13.848 -10.352 330 HD22 ASN 49 HD22 ASN 49 -10.779 -14.704 -8.981 331 H ALA 50 HN ALA 50 -8.238 -13.746 -14.417 332 HA ALA 50 HA ALA 50 -9.547 -14.716 -16.722 333 HB1 ALA 50 HB1 ALA 50 -7.334 -12.978 -17.385 334 HB2 ALA 50 HB2 ALA 50 -8.197 -12.367 -15.974 335 HB3 ALA 50 HB3 ALA 50 -9.066 -12.660 -17.480 336 H LYS 51 HN LYS 51 -6.176 -14.882 -15.661 337 HA LYS 51 HA LYS 51 -5.100 -16.037 -17.991 338 HB2 LYS 51 HB2 LYS 51 -4.248 -16.242 -15.095 339 HB3 LYS 51 HB1 LYS 51 -3.297 -16.867 -16.443 340 HG2 LYS 51 HG2 LYS 51 -4.213 -13.987 -16.201 341 HG3 LYS 51 HG1 LYS 51 -2.612 -14.561 -15.730 342 HD2 LYS 51 HD2 LYS 51 -2.248 -15.388 -18.044 343 HD3 LYS 51 HD1 LYS 51 -3.822 -14.736 -18.505 344 HE2 LYS 51 HE2 LYS 51 -3.074 -12.472 -17.864 345 HE3 LYS 51 HE1 LYS 51 -1.499 -13.122 -17.409 346 HZ1 LYS 51 HZ1 LYS 51 -1.445 -14.025 -19.776 347 HZ2 LYS 51 HZ2 LYS 51 -1.204 -12.356 -19.568 348 HZ3 LYS 51 HZ3 LYS 51 -2.709 -12.940 -20.097 349 H ALA 52 HN ALA 52 -6.569 -17.502 -15.102 350 HA ALA 52 HA ALA 52 -6.018 -20.187 -15.703 351 HB1 ALA 52 HB1 ALA 52 -7.014 -19.079 -13.558 352 HB2 ALA 52 HB2 ALA 52 -7.508 -20.715 -13.992 353 HB3 ALA 52 HB3 ALA 52 -8.564 -19.350 -14.355 354 H ALA 53 HN ALA 53 -8.604 -18.035 -16.755 355 HA ALA 53 HA ALA 53 -10.306 -19.963 -17.902 356 HB1 ALA 53 HB1 ALA 53 -10.302 -17.504 -19.410 357 HB2 ALA 53 HB2 ALA 53 -10.228 -17.157 -17.683 358 HB3 ALA 53 HB3 ALA 53 -11.540 -18.142 -18.328 359 H GLN 54 HN GLN 54 -7.474 -18.262 -19.137 360 HA GLN 54 HA GLN 54 -7.770 -19.416 -21.791 361 HB2 GLN 54 HB2 GLN 54 -5.610 -17.696 -20.555 362 HB3 GLN 54 HB1 GLN 54 -5.611 -18.236 -22.234 363 HG2 GLN 54 HG2 GLN 54 -7.786 -17.123 -22.593 364 HG3 GLN 54 HG1 GLN 54 -7.780 -16.575 -20.918 365 HE21 GLN 54 HE21 GLN 54 -7.475 -14.324 -21.171 366 HE22 GLN 54 HE22 GLN 54 -6.159 -13.638 -21.994 367 H LEU 55 HN LEU 55 -6.470 -20.385 -18.820 368 HA LEU 55 HA LEU 55 -4.214 -21.865 -19.772 369 HB2 LEU 55 HB2 LEU 55 -5.792 -21.924 -17.207 370 HB3 LEU 55 HB1 LEU 55 -4.461 -23.038 -17.510 371 HG LEU 55 HG LEU 55 -4.186 -20.037 -17.771 372 HD11 LEU 55 HD11 LEU 55 -3.928 -19.849 -15.537 373 HD12 LEU 55 HD12 LEU 55 -2.832 -21.231 -15.498 374 HD13 LEU 55 HD13 LEU 55 -4.574 -21.485 -15.396 375 HD21 LEU 55 HD21 LEU 55 -2.296 -22.391 -17.739 376 HD22 LEU 55 HD22 LEU 55 -1.736 -20.751 -17.413 377 HD23 LEU 55 HD23 LEU 55 -2.461 -21.141 -18.972 378 H LYS 56 HN LYS 56 -4.048 -23.864 -20.512 379 HA LYS 56 HA LYS 56 -6.512 -25.374 -21.011 380 HB2 LYS 56 HB2 LYS 56 -3.693 -25.745 -22.057 381 HB3 LYS 56 HB1 LYS 56 -5.085 -26.722 -22.525 382 HG2 LYS 56 HG2 LYS 56 -6.221 -24.745 -23.410 383 HG3 LYS 56 HG1 LYS 56 -4.894 -23.715 -22.870 384 HD2 LYS 56 HD2 LYS 56 -4.566 -24.150 -25.223 385 HD3 LYS 56 HD1 LYS 56 -3.352 -25.072 -24.335 386 HE2 LYS 56 HE2 LYS 56 -4.725 -27.095 -24.502 387 HE3 LYS 56 HE1 LYS 56 -5.994 -26.186 -25.324 388 HZ1 LYS 56 HZ1 LYS 56 -3.750 -27.407 -26.447 389 HZ2 LYS 56 HZ2 LYS 56 -3.565 -25.731 -26.644 390 HZ3 LYS 56 HZ3 LYS 56 -4.955 -26.509 -27.233 391 H ASP 57 HN ASP 57 -6.262 -27.835 -20.834 392 HA ASP 57 HA ASP 57 -5.797 -28.535 -18.152 393 HB2 ASP 57 HB2 ASP 57 -7.271 -29.787 -19.725 394 HB3 ASP 57 HB1 ASP 57 -5.832 -30.377 -20.554 395 H GLY 58 HN GLY 58 -4.082 -29.498 -17.109 396 HA2 GLY 58 HA2 GLY 58 -1.963 -30.439 -16.850 397 HA3 GLY 58 HA1 GLY 58 -1.719 -30.312 -18.588 398 H GLU 59 HN GLU 59 -2.882 -27.427 -17.263 399 HA GLU 59 HA GLU 59 -0.145 -26.348 -16.984 400 HB2 GLU 59 HB2 GLU 59 -2.481 -25.127 -18.453 401 HB3 GLU 59 HB1 GLU 59 -1.037 -24.223 -17.992 402 HG2 GLU 59 HG2 GLU 59 0.375 -25.715 -19.284 403 HG3 GLU 59 HG1 GLU 59 -0.998 -26.759 -19.648 404 H TRP 60 HN TRP 60 0.124 -24.637 -15.505 405 HA TRP 60 HA TRP 60 -2.190 -23.994 -13.807 406 HB2 TRP 60 HB2 TRP 60 0.501 -24.809 -12.693 407 HB3 TRP 60 HB1 TRP 60 -0.965 -24.446 -11.783 408 HD1 TRP 60 HD1 TRP 60 0.905 -27.277 -13.062 409 HE1 TRP 60 HE1 TRP 60 -0.553 -29.398 -13.200 410 HE3 TRP 60 HE3 TRP 60 -3.730 -25.197 -12.541 411 HZ2 TRP 60 HZ2 TRP 60 -3.319 -30.117 -13.109 412 HZ3 TRP 60 HZ3 TRP 60 -5.757 -26.623 -12.575 413 HH2 TRP 60 HH2 TRP 60 -5.558 -29.078 -12.857 414 H LEU 61 HN LEU 61 -2.006 -22.032 -12.674 415 HA LEU 61 HA LEU 61 0.014 -20.195 -13.799 416 HB2 LEU 61 HB2 LEU 61 -2.352 -19.592 -14.201 417 HB3 LEU 61 HB1 LEU 61 -2.635 -19.577 -12.460 418 HG LEU 61 HG LEU 61 -0.931 -17.808 -12.200 419 HD11 LEU 61 HD11 LEU 61 -0.239 -18.671 -14.837 420 HD12 LEU 61 HD12 LEU 61 0.588 -17.482 -13.828 421 HD13 LEU 61 HD13 LEU 61 -0.696 -16.969 -14.924 422 HD21 LEU 61 HD21 LEU 61 -3.371 -17.522 -13.857 423 HD22 LEU 61 HD22 LEU 61 -2.239 -16.173 -13.954 424 HD23 LEU 61 HD23 LEU 61 -2.900 -16.660 -12.393 425 H ASN 62 HN ASN 62 1.360 -19.004 -12.429 426 HA ASN 62 HA ASN 62 1.394 -19.922 -9.639 427 HB2 ASN 62 HB2 ASN 62 3.489 -20.135 -10.885 428 HB3 ASN 62 HB1 ASN 62 3.457 -18.412 -11.263 429 HD21 ASN 62 HD21 ASN 62 3.770 -20.726 -8.555 430 HD22 ASN 62 HD22 ASN 62 4.517 -19.629 -7.497 431 H VAL 63 HN VAL 63 0.602 -18.663 -8.081 432 HA VAL 63 HA VAL 63 0.405 -15.754 -8.597 433 HB VAL 63 HB VAL 63 -1.400 -17.520 -6.928 434 HG11 VAL 63 HG11 VAL 63 -0.973 -15.175 -6.051 435 HG12 VAL 63 HG12 VAL 63 -2.656 -15.529 -6.438 436 HG13 VAL 63 HG13 VAL 63 -1.679 -14.569 -7.549 437 HG21 VAL 63 HG21 VAL 63 -1.955 -15.930 -9.451 438 HG22 VAL 63 HG22 VAL 63 -3.086 -16.986 -8.603 439 HG23 VAL 63 HG23 VAL 63 -1.678 -17.672 -9.414 440 H SER 64 HN SER 64 1.507 -14.463 -7.251 441 HA SER 64 HA SER 64 2.004 -15.236 -4.497 442 HB2 SER 64 HB2 SER 64 4.418 -15.085 -4.648 443 HB3 SER 64 HB1 SER 64 3.859 -16.303 -5.790 444 HG SER 64 HG SER 64 4.432 -13.583 -6.390 445 H HIS 65 HN HIS 65 3.374 -13.421 -3.426 446 HA HIS 65 HA HIS 65 2.870 -10.814 -4.692 447 HB2 HIS 65 HB2 HIS 65 1.816 -9.922 -2.729 448 HB3 HIS 65 HB1 HIS 65 0.967 -11.412 -3.144 449 HD1 HIS 65 HD1 HIS 65 1.651 -13.582 -1.727 450 HD2 HIS 65 HD2 HIS 65 3.023 -9.949 -0.210 451 HE1 HIS 65 HE1 HIS 65 2.363 -14.026 0.663 452 H GLU 66 HN GLU 66 4.105 -9.043 -3.663 453 HA GLU 66 HA GLU 66 6.331 -9.928 -1.980 454 HB2 GLU 66 HB2 GLU 66 7.154 -10.037 -4.293 455 HB3 GLU 66 HB1 GLU 66 6.638 -8.370 -4.556 456 HG2 GLU 66 HG2 GLU 66 8.161 -7.597 -2.798 457 HG3 GLU 66 HG1 GLU 66 8.658 -9.259 -2.479 458 H ALA 67 HN ALA 67 6.834 -8.449 -0.432 459 HA ALA 67 HA ALA 67 6.172 -6.672 0.963 460 HB1 ALA 67 HB1 ALA 67 7.129 -4.874 -1.195 461 HB2 ALA 67 HB2 ALA 67 8.229 -6.159 -0.696 462 HB3 ALA 67 HB3 ALA 67 7.642 -4.990 0.489 Start of MODEL 2 1 H MET 1 HT1 MET 1 3.924 -1.333 0.255 2 HA MET 1 HA MET 1 1.810 -1.673 -0.896 3 HB2 MET 1 HB2 MET 1 2.199 -1.149 -3.503 4 HG2 MET 1 HG2 MET 1 4.460 -0.096 -2.804 5 HE1 MET 1 HE1 MET 1 1.277 1.776 -2.659 6 HE2 MET 1 HE2 MET 1 2.154 3.251 -3.054 7 HE3 MET 1 HE3 MET 1 1.454 3.054 -1.450 8 H THR 2 HN THR 2 1.803 -3.768 -1.234 9 HA THR 2 HA THR 2 4.220 -5.194 -1.854 10 HB THR 2 HB THR 2 2.805 -7.188 -1.636 11 HG1 THR 2 HG1 THR 2 0.835 -6.860 -2.273 12 HG21 THR 2 HG21 THR 2 2.586 -4.990 0.402 13 HG22 THR 2 HG22 THR 2 3.582 -6.445 0.448 14 HG23 THR 2 HG23 THR 2 1.839 -6.561 0.695 15 H THR 3 HN THR 3 4.542 -6.601 -3.629 16 HA THR 3 HA THR 3 3.017 -5.849 -6.053 17 HB THR 3 HB THR 3 5.925 -6.651 -5.787 18 HG1 THR 3 HG1 THR 3 5.586 -4.325 -6.952 19 HG21 THR 3 HG21 THR 3 5.595 -7.371 -7.910 20 HG22 THR 3 HG22 THR 3 5.585 -5.653 -8.310 21 HG23 THR 3 HG23 THR 3 4.064 -6.511 -8.067 22 H PHE 4 HN PHE 4 1.992 -7.431 -7.094 23 HA PHE 4 HA PHE 4 2.570 -10.209 -6.295 24 HB2 PHE 4 HB2 PHE 4 0.089 -8.960 -7.497 25 HB3 PHE 4 HB1 PHE 4 0.281 -10.670 -7.129 26 HD1 PHE 4 HD1 PHE 4 -0.319 -7.342 -5.761 27 HD2 PHE 4 HD2 PHE 4 0.568 -11.427 -4.769 28 HE1 PHE 4 HE1 PHE 4 -0.987 -6.917 -3.411 29 HE2 PHE 4 HE2 PHE 4 -0.103 -11.000 -2.421 30 HZ PHE 4 HZ PHE 4 -0.879 -8.746 -1.741 31 H THR 5 HN THR 5 3.101 -11.721 -7.806 32 HA THR 5 HA THR 5 3.013 -10.947 -10.651 33 HB THR 5 HB THR 5 5.289 -10.500 -9.739 34 HG1 THR 5 HG1 THR 5 5.218 -11.012 -11.868 35 HG21 THR 5 HG21 THR 5 6.401 -12.009 -8.482 36 HG22 THR 5 HG22 THR 5 6.016 -13.325 -9.593 37 HG23 THR 5 HG23 THR 5 4.860 -12.858 -8.345 38 H SER 6 HN SER 6 3.209 -12.733 -12.123 39 HA SER 6 HA SER 6 2.929 -15.423 -11.064 40 HB2 SER 6 HB2 SER 6 0.763 -15.854 -12.084 41 HB3 SER 6 HB1 SER 6 0.622 -14.512 -10.955 42 HG SER 6 HG SER 6 -0.328 -13.769 -12.760 43 H ILE 7 HN ILE 7 2.791 -17.065 -12.779 44 HA ILE 7 HA ILE 7 3.555 -16.259 -15.465 45 HB ILE 7 HB ILE 7 5.662 -16.359 -14.002 46 HG12 ILE 7 HG12 ILE 7 5.624 -18.376 -16.253 47 HG13 ILE 7 HG11 ILE 7 5.495 -16.641 -16.553 48 HG21 ILE 7 HG21 ILE 7 4.967 -19.306 -14.140 49 HG22 ILE 7 HG22 ILE 7 5.014 -18.321 -12.678 50 HG23 ILE 7 HG23 ILE 7 6.500 -18.651 -13.567 51 HD11 ILE 7 HD11 ILE 7 7.607 -16.820 -14.767 52 HD12 ILE 7 HD12 ILE 7 7.755 -16.613 -16.513 53 HD13 ILE 7 HD13 ILE 7 7.839 -18.226 -15.806 54 H VAL 8 HN VAL 8 3.458 -18.139 -16.955 55 HA VAL 8 HA VAL 8 1.598 -20.146 -15.893 56 HB VAL 8 HB VAL 8 2.407 -19.516 -18.738 57 HG11 VAL 8 HG11 VAL 8 0.109 -20.914 -18.929 58 HG12 VAL 8 HG12 VAL 8 0.769 -21.656 -17.471 59 HG13 VAL 8 HG13 VAL 8 1.693 -21.689 -18.973 60 HG21 VAL 8 HG21 VAL 8 0.896 -17.951 -17.174 61 HG22 VAL 8 HG22 VAL 8 -0.341 -19.123 -17.630 62 HG23 VAL 8 HG23 VAL 8 0.506 -18.206 -18.876 63 H THR 9 HN THR 9 2.616 -21.766 -14.960 64 HA THR 9 HA THR 9 4.318 -23.491 -16.573 65 HB THR 9 HB THR 9 5.856 -21.850 -15.339 66 HG1 THR 9 HG1 THR 9 6.538 -24.228 -14.241 67 HG21 THR 9 HG21 THR 9 6.111 -22.125 -12.962 68 HG22 THR 9 HG22 THR 9 5.002 -23.498 -12.944 69 HG23 THR 9 HG23 THR 9 4.391 -21.875 -13.263 70 H THR 10 HN THR 10 4.249 -25.697 -15.761 71 HA THR 10 HA THR 10 2.639 -25.979 -13.309 72 HB THR 10 HB THR 10 1.036 -26.299 -15.032 73 HG1 THR 10 HG1 THR 10 1.806 -28.236 -13.427 74 HG21 THR 10 HG21 THR 10 2.447 -28.516 -16.386 75 HG22 THR 10 HG22 THR 10 3.161 -26.920 -16.629 76 HG23 THR 10 HG23 THR 10 1.481 -27.212 -17.074 77 H ASN 11 HN ASN 11 4.501 -26.589 -12.187 78 HA ASN 11 HA ASN 11 5.156 -29.403 -12.405 79 HB2 ASN 11 HB2 ASN 11 7.609 -28.982 -12.593 80 HB3 ASN 11 HB1 ASN 11 6.708 -28.538 -14.042 81 HD21 ASN 11 HD21 ASN 11 8.233 -26.886 -14.706 82 HD22 ASN 11 HD22 ASN 11 8.421 -25.440 -13.835 83 HA PRO 12 HA PRO 12 5.679 -27.112 -8.260 84 HB2 PRO 12 HB2 PRO 12 3.331 -27.880 -7.071 85 HB3 PRO 12 HB1 PRO 12 3.523 -26.369 -7.978 86 HG2 PRO 12 HG2 PRO 12 2.308 -28.946 -8.835 87 HG3 PRO 12 HG1 PRO 12 1.789 -27.284 -9.170 88 HD2 PRO 12 HD2 PRO 12 3.145 -28.803 -10.995 89 HD3 PRO 12 HD1 PRO 12 3.271 -27.032 -10.932 90 H ASP 13 HN ASP 13 7.197 -28.461 -7.395 91 HA ASP 13 HA ASP 13 6.708 -31.297 -7.101 92 HB2 ASP 13 HB2 ASP 13 8.931 -30.433 -7.747 93 HB3 ASP 13 HB1 ASP 13 9.048 -29.608 -6.195 94 H PHE 14 HN PHE 14 5.741 -32.178 -5.404 95 HA PHE 14 HA PHE 14 5.096 -32.608 -3.249 96 HB2 PHE 14 HB2 PHE 14 7.293 -30.620 -2.726 97 HB3 PHE 14 HB1 PHE 14 6.296 -31.248 -1.416 98 HD1 PHE 14 HD1 PHE 14 6.265 -33.772 -3.781 99 HD2 PHE 14 HD2 PHE 14 8.934 -31.919 -0.968 100 HE1 PHE 14 HE1 PHE 14 7.631 -35.838 -3.717 101 HE2 PHE 14 HE2 PHE 14 10.303 -33.986 -0.909 102 HZ PHE 14 HZ PHE 14 9.651 -35.944 -2.282 103 H GLY 15 HN GLY 15 5.057 -29.321 -4.448 104 HA2 GLY 15 HA2 GLY 15 3.459 -27.678 -4.226 105 HA3 GLY 15 HA1 GLY 15 2.401 -28.909 -3.545 106 H GLY 16 HN GLY 16 5.557 -27.972 -2.261 107 HA2 GLY 16 HA2 GLY 16 5.081 -27.936 0.373 108 HA3 GLY 16 HA1 GLY 16 6.104 -26.713 -0.376 109 H PHE 17 HN PHE 17 5.343 -24.608 -0.615 110 HA PHE 17 HA PHE 17 2.582 -24.111 0.270 111 HB2 PHE 17 HB2 PHE 17 3.492 -22.004 1.353 112 HB3 PHE 17 HB1 PHE 17 3.917 -23.511 2.164 113 HD1 PHE 17 HD1 PHE 17 6.192 -24.405 2.065 114 HD2 PHE 17 HD2 PHE 17 5.166 -20.716 0.119 115 HE1 PHE 17 HE1 PHE 17 8.600 -23.868 1.812 116 HE2 PHE 17 HE2 PHE 17 7.574 -20.181 -0.136 117 HZ PHE 17 HZ PHE 17 9.291 -21.758 0.710 118 H GLU 18 HN GLU 18 1.806 -23.731 -1.777 119 HA GLU 18 HA GLU 18 2.545 -21.200 -2.964 120 HB2 GLU 18 HB2 GLU 18 2.843 -23.760 -4.559 121 HB3 GLU 18 HB1 GLU 18 2.971 -22.123 -5.204 122 HG2 GLU 18 HG2 GLU 18 4.740 -23.285 -3.032 123 HG3 GLU 18 HG1 GLU 18 5.202 -23.094 -4.724 124 H PHE 19 HN PHE 19 0.856 -20.329 -4.200 125 HA PHE 19 HA PHE 19 -1.617 -21.942 -4.158 126 HB2 PHE 19 HB2 PHE 19 -1.611 -19.769 -2.882 127 HB3 PHE 19 HB1 PHE 19 -1.388 -18.936 -4.421 128 HD1 PHE 19 HD1 PHE 19 -3.692 -20.951 -2.376 129 HD2 PHE 19 HD2 PHE 19 -3.168 -18.878 -6.102 130 HE1 PHE 19 HE1 PHE 19 -6.128 -21.111 -2.806 131 HE2 PHE 19 HE2 PHE 19 -5.606 -19.040 -6.531 132 HZ PHE 19 HZ PHE 19 -7.085 -20.153 -4.885 133 H TYR 20 HN TYR 20 -2.339 -22.666 -6.044 134 HA TYR 20 HA TYR 20 -1.643 -21.161 -8.489 135 HB2 TYR 20 HB2 TYR 20 -1.631 -24.169 -8.152 136 HB3 TYR 20 HB1 TYR 20 -1.376 -23.309 -9.672 137 HD1 TYR 20 HD1 TYR 20 0.531 -25.178 -7.868 138 HD2 TYR 20 HD2 TYR 20 0.178 -20.959 -8.575 139 HE1 TYR 20 HE1 TYR 20 2.931 -24.879 -7.311 140 HE2 TYR 20 HE2 TYR 20 2.571 -20.664 -8.025 141 HH TYR 20 HH TYR 20 4.452 -23.179 -6.596 142 H VAL 21 HN VAL 21 -3.221 -20.987 -10.025 143 HA VAL 21 HA VAL 21 -5.905 -21.827 -9.190 144 HB VAL 21 HB VAL 21 -5.007 -19.914 -11.358 145 HG11 VAL 21 HG11 VAL 21 -7.202 -21.072 -11.764 146 HG12 VAL 21 HG12 VAL 21 -7.350 -19.327 -11.562 147 HG13 VAL 21 HG13 VAL 21 -7.780 -20.407 -10.235 148 HG21 VAL 21 HG21 VAL 21 -6.157 -19.481 -8.584 149 HG22 VAL 21 HG22 VAL 21 -5.952 -18.206 -9.785 150 HG23 VAL 21 HG23 VAL 21 -4.540 -19.038 -9.131 151 H GLU 22 HN GLU 22 -6.756 -23.609 -10.037 152 HA GLU 22 HA GLU 22 -5.537 -25.019 -12.202 153 HB2 GLU 22 HB2 GLU 22 -8.229 -25.377 -10.857 154 HB3 GLU 22 HB1 GLU 22 -7.518 -26.511 -12.006 155 HG2 GLU 22 HG2 GLU 22 -6.790 -27.450 -10.020 156 HG3 GLU 22 HG1 GLU 22 -5.446 -26.358 -10.352 157 H ALA 23 HN ALA 23 -6.256 -25.263 -14.334 158 HA ALA 23 HA ALA 23 -7.263 -23.056 -15.652 159 HB1 ALA 23 HB1 ALA 23 -7.609 -25.952 -16.473 160 HB2 ALA 23 HB2 ALA 23 -6.188 -24.961 -16.798 161 HB3 ALA 23 HB3 ALA 23 -7.735 -24.554 -17.539 162 H GLY 24 HN GLY 24 -9.195 -22.120 -15.757 163 HA2 GLY 24 HA2 GLY 24 -11.495 -21.856 -15.774 164 HA3 GLY 24 HA1 GLY 24 -11.655 -23.610 -15.725 165 H GLN 25 HN GLN 25 -9.594 -22.361 -13.311 166 HA GLN 25 HA GLN 25 -11.725 -22.734 -11.301 167 HB2 GLN 25 HB2 GLN 25 -9.833 -24.302 -11.127 168 HB3 GLN 25 HB1 GLN 25 -8.722 -22.941 -10.984 169 HG2 GLN 25 HG2 GLN 25 -9.279 -23.844 -8.762 170 HG3 GLN 25 HG1 GLN 25 -9.891 -22.199 -8.940 171 HE21 GLN 25 HE21 GLN 25 -11.032 -25.580 -9.536 172 HE22 GLN 25 HE22 GLN 25 -12.615 -25.285 -8.999 173 H GLN 26 HN GLN 26 -12.314 -21.084 -10.036 174 HA GLN 26 HA GLN 26 -11.338 -18.453 -10.538 175 HB2 GLN 26 HB2 GLN 26 -13.183 -19.576 -8.423 176 HB3 GLN 26 HB1 GLN 26 -12.825 -17.856 -8.587 177 HG2 GLN 26 HG2 GLN 26 -13.731 -17.809 -10.824 178 HG3 GLN 26 HG1 GLN 26 -13.908 -19.563 -10.841 179 HE21 GLN 26 HE21 GLN 26 -16.064 -17.497 -11.127 180 HE22 GLN 26 HE22 GLN 26 -17.157 -17.807 -9.866 181 H PHE 27 HN PHE 27 -10.209 -17.065 -9.169 182 HA PHE 27 HA PHE 27 -8.276 -18.400 -7.428 183 HB2 PHE 27 HB2 PHE 27 -7.429 -16.766 -9.036 184 HB3 PHE 27 HB1 PHE 27 -8.486 -15.526 -8.362 185 HD1 PHE 27 HD1 PHE 27 -5.620 -17.769 -7.589 186 HD2 PHE 27 HD2 PHE 27 -7.891 -14.327 -6.391 187 HE1 PHE 27 HE1 PHE 27 -3.901 -17.228 -5.885 188 HE2 PHE 27 HE2 PHE 27 -6.173 -13.784 -4.688 189 HZ PHE 27 HZ PHE 27 -4.177 -15.236 -4.434 190 H ASP 28 HN ASP 28 -8.591 -18.586 -5.336 191 HA ASP 28 HA ASP 28 -10.651 -17.008 -4.016 192 HB2 ASP 28 HB2 ASP 28 -8.926 -19.330 -3.153 193 HB3 ASP 28 HB1 ASP 28 -10.022 -18.494 -2.060 194 H ASP 29 HN ASP 29 -10.080 -15.032 -3.368 195 HA ASP 29 HA ASP 29 -7.386 -14.289 -2.751 196 HB2 ASP 29 HB2 ASP 29 -8.374 -12.123 -2.134 197 HB3 ASP 29 HB1 ASP 29 -8.982 -12.683 -3.690 198 H SER 30 HN SER 30 -10.060 -15.528 -0.914 199 HA SER 30 HA SER 30 -9.335 -14.552 1.641 200 HB2 SER 30 HB2 SER 30 -10.844 -17.039 0.825 201 HB3 SER 30 HB1 SER 30 -10.701 -16.469 2.486 202 HG SER 30 HG SER 30 -11.860 -14.686 1.976 203 H ALA 31 HN ALA 31 -8.489 -17.549 -0.085 204 HA ALA 31 HA ALA 31 -7.040 -18.749 2.009 205 HB1 ALA 31 HB1 ALA 31 -5.850 -19.575 -0.390 206 HB2 ALA 31 HB2 ALA 31 -7.533 -19.236 -0.798 207 HB3 ALA 31 HB3 ALA 31 -7.151 -20.384 0.485 208 H TYR 32 HN TYR 32 -6.029 -16.561 -0.593 209 HA TYR 32 HA TYR 32 -3.254 -16.713 -0.148 210 HB2 TYR 32 HB2 TYR 32 -4.231 -15.660 -2.147 211 HB3 TYR 32 HB1 TYR 32 -4.871 -14.355 -1.146 212 HD1 TYR 32 HD1 TYR 32 -1.777 -15.948 -2.415 213 HD2 TYR 32 HD2 TYR 32 -3.443 -12.610 -0.286 214 HE1 TYR 32 HE1 TYR 32 0.400 -14.771 -2.556 215 HE2 TYR 32 HE2 TYR 32 -1.266 -11.432 -0.430 216 HH TYR 32 HH TYR 32 0.847 -11.552 -1.087 217 H GLU 33 HN GLU 33 -5.669 -14.430 1.129 218 HA GLU 33 HA GLU 33 -3.788 -13.039 2.779 219 HB2 GLU 33 HB2 GLU 33 -5.716 -11.941 3.743 220 HB3 GLU 33 HB1 GLU 33 -5.958 -12.068 2.001 221 HG2 GLU 33 HG2 GLU 33 -7.314 -14.115 2.361 222 HG3 GLU 33 HG1 GLU 33 -7.117 -13.920 4.101 223 H GLU 34 HN GLU 34 -5.767 -15.876 3.135 224 HA GLU 34 HA GLU 34 -5.790 -16.091 5.944 225 HB2 GLU 34 HB2 GLU 34 -7.207 -17.468 4.474 226 HB3 GLU 34 HB1 GLU 34 -5.772 -18.310 3.885 227 HG2 GLU 34 HG2 GLU 34 -5.282 -19.105 6.154 228 HG3 GLU 34 HG1 GLU 34 -6.679 -18.231 6.777 229 H ALA 35 HN ALA 35 -3.487 -17.338 3.527 230 HA ALA 35 HA ALA 35 -1.740 -18.346 5.637 231 HB1 ALA 35 HB1 ALA 35 -2.200 -19.024 2.940 232 HB2 ALA 35 HB2 ALA 35 -1.025 -19.745 4.040 233 HB3 ALA 35 HB3 ALA 35 -0.554 -18.393 3.011 234 H TYR 36 HN TYR 36 -1.702 -15.884 3.082 235 HA TYR 36 HA TYR 36 0.886 -14.873 3.823 236 HB2 TYR 36 HB2 TYR 36 -1.291 -13.811 2.017 237 HB3 TYR 36 HB1 TYR 36 0.231 -12.964 2.288 238 HD1 TYR 36 HD1 TYR 36 2.405 -14.097 1.715 239 HD2 TYR 36 HD2 TYR 36 -1.404 -15.720 0.574 240 HE1 TYR 36 HE1 TYR 36 3.522 -15.540 0.036 241 HE2 TYR 36 HE2 TYR 36 -0.288 -17.163 -1.105 242 HH TYR 36 HH TYR 36 2.086 -18.161 -1.379 243 H GLY 37 HN GLY 37 -2.402 -14.253 4.759 244 HA2 GLY 37 HA2 GLY 37 -3.189 -13.066 6.591 245 HA3 GLY 37 HA1 GLY 37 -1.532 -12.595 6.949 246 H VAL 38 HN VAL 38 -2.523 -12.025 3.724 247 HA VAL 38 HA VAL 38 -3.206 -9.224 4.358 248 HB VAL 38 HB VAL 38 -1.809 -8.493 2.439 249 HG11 VAL 38 HG11 VAL 38 -1.039 -9.022 4.998 250 HG12 VAL 38 HG12 VAL 38 0.008 -8.261 3.800 251 HG13 VAL 38 HG13 VAL 38 0.127 -9.995 4.100 252 HG21 VAL 38 HG21 VAL 38 -1.782 -11.260 1.884 253 HG22 VAL 38 HG22 VAL 38 -0.130 -10.850 2.342 254 HG23 VAL 38 HG23 VAL 38 -0.914 -9.995 1.014 255 H SER 39 HN SER 39 -4.781 -8.345 3.157 256 HA SER 39 HA SER 39 -6.509 -9.998 1.652 257 HB2 SER 39 HB2 SER 39 -6.342 -6.982 1.812 258 HB3 SER 39 HB1 SER 39 -7.672 -7.877 1.083 259 HG SER 39 HG SER 39 -7.780 -7.210 3.423 260 H VAL 40 HN VAL 40 -6.946 -10.090 -0.544 261 HA VAL 40 HA VAL 40 -4.740 -9.185 -2.287 262 HB VAL 40 HB VAL 40 -6.775 -11.383 -2.725 263 HG11 VAL 40 HG11 VAL 40 -4.270 -10.818 -4.316 264 HG12 VAL 40 HG12 VAL 40 -5.828 -10.120 -4.755 265 HG13 VAL 40 HG13 VAL 40 -5.619 -11.870 -4.743 266 HG21 VAL 40 HG21 VAL 40 -5.081 -11.858 -0.958 267 HG22 VAL 40 HG22 VAL 40 -3.804 -11.524 -2.128 268 HG23 VAL 40 HG23 VAL 40 -4.886 -12.895 -2.370 269 HA PRO 41 HA PRO 41 -7.655 -6.131 -3.779 270 HB2 PRO 41 HB2 PRO 41 -5.682 -6.099 -6.028 271 HB3 PRO 41 HB1 PRO 41 -6.327 -4.747 -5.074 272 HG2 PRO 41 HG2 PRO 41 -3.866 -5.617 -4.671 273 HG3 PRO 41 HG1 PRO 41 -4.890 -5.142 -3.305 274 HD2 PRO 41 HD2 PRO 41 -4.171 -7.900 -4.249 275 HD3 PRO 41 HD1 PRO 41 -4.367 -7.292 -2.588 276 H SER 42 HN SER 42 -9.424 -6.339 -5.095 277 HA SER 42 HA SER 42 -9.968 -8.732 -6.442 278 HB2 SER 42 HB2 SER 42 -11.945 -7.583 -7.312 279 HB3 SER 42 HB1 SER 42 -11.708 -7.197 -5.610 280 HG SER 42 HG SER 42 -10.798 -5.239 -6.226 281 H ALA 43 HN ALA 43 -8.594 -5.699 -7.603 282 HA ALA 43 HA ALA 43 -8.879 -6.159 -10.366 283 HB1 ALA 43 HB1 ALA 43 -7.081 -4.529 -10.642 284 HB2 ALA 43 HB2 ALA 43 -6.640 -4.699 -8.943 285 HB3 ALA 43 HB3 ALA 43 -8.193 -3.987 -9.383 286 H VAL 44 HN VAL 44 -6.349 -7.098 -8.068 287 HA VAL 44 HA VAL 44 -4.624 -8.295 -9.995 288 HB VAL 44 HB VAL 44 -4.885 -8.654 -7.004 289 HG11 VAL 44 HG11 VAL 44 -2.938 -9.817 -9.002 290 HG12 VAL 44 HG12 VAL 44 -3.887 -10.672 -7.786 291 HG13 VAL 44 HG13 VAL 44 -2.538 -9.648 -7.293 292 HG21 VAL 44 HG21 VAL 44 -2.899 -7.174 -8.761 293 HG22 VAL 44 HG22 VAL 44 -2.799 -7.306 -7.005 294 HG23 VAL 44 HG23 VAL 44 -4.137 -6.429 -7.748 295 H VAL 45 HN VAL 45 -7.158 -9.522 -7.856 296 HA VAL 45 HA VAL 45 -6.862 -12.264 -8.399 297 HB VAL 45 HB VAL 45 -9.253 -10.630 -7.534 298 HG11 VAL 45 HG11 VAL 45 -9.033 -13.434 -8.373 299 HG12 VAL 45 HG12 VAL 45 -10.474 -12.453 -8.100 300 HG13 VAL 45 HG13 VAL 45 -9.678 -13.247 -6.742 301 HG21 VAL 45 HG21 VAL 45 -7.194 -12.354 -6.134 302 HG22 VAL 45 HG22 VAL 45 -8.702 -11.860 -5.363 303 HG23 VAL 45 HG23 VAL 45 -7.531 -10.642 -5.869 304 H GLU 46 HN GLU 46 -8.844 -9.775 -10.019 305 HA GLU 46 HA GLU 46 -10.252 -11.534 -11.711 306 HB2 GLU 46 HB2 GLU 46 -9.433 -8.644 -12.084 307 HB3 GLU 46 HB1 GLU 46 -10.514 -9.506 -13.181 308 HG2 GLU 46 HG2 GLU 46 -10.997 -9.232 -10.203 309 HG3 GLU 46 HG1 GLU 46 -11.717 -8.178 -11.418 310 H GLU 47 HN GLU 47 -7.157 -9.825 -12.154 311 HA GLU 47 HA GLU 47 -6.671 -10.682 -14.790 312 HB2 GLU 47 HB2 GLU 47 -4.795 -9.901 -12.551 313 HB3 GLU 47 HB1 GLU 47 -4.252 -10.240 -14.195 314 HG2 GLU 47 HG2 GLU 47 -5.633 -8.455 -15.081 315 HG3 GLU 47 HG1 GLU 47 -6.362 -8.179 -13.499 316 H MET 48 HN MET 48 -5.911 -12.138 -11.649 317 HA MET 48 HA MET 48 -4.363 -14.300 -12.639 318 HB2 MET 48 HB2 MET 48 -6.027 -14.015 -10.123 319 HB3 MET 48 HB1 MET 48 -4.930 -15.360 -10.439 320 HG2 MET 48 HG2 MET 48 -4.129 -12.437 -10.354 321 HG3 MET 48 HG1 MET 48 -3.848 -13.605 -9.064 322 HE1 MET 48 HE1 MET 48 -1.331 -11.881 -10.825 323 HE2 MET 48 HE2 MET 48 -0.336 -13.157 -10.135 324 HE3 MET 48 HE3 MET 48 -1.696 -12.518 -9.217 325 H ASN 49 HN ASN 49 -7.794 -13.840 -12.011 326 HA ASN 49 HA ASN 49 -8.635 -16.502 -12.544 327 HB2 ASN 49 HB2 ASN 49 -10.079 -13.849 -12.621 328 HB3 ASN 49 HB1 ASN 49 -10.885 -15.388 -12.925 329 HD21 ASN 49 HD21 ASN 49 -11.524 -13.700 -10.658 330 HD22 ASN 49 HD22 ASN 49 -11.087 -14.544 -9.252 331 H ALA 50 HN ALA 50 -8.211 -13.632 -14.530 332 HA ALA 50 HA ALA 50 -9.397 -14.584 -16.905 333 HB1 ALA 50 HB1 ALA 50 -8.898 -12.495 -17.536 334 HB2 ALA 50 HB2 ALA 50 -7.183 -12.908 -17.554 335 HB3 ALA 50 HB3 ALA 50 -7.924 -12.288 -16.080 336 H LYS 51 HN LYS 51 -6.085 -14.819 -15.667 337 HA LYS 51 HA LYS 51 -4.928 -16.002 -17.949 338 HB2 LYS 51 HB2 LYS 51 -4.198 -16.193 -15.019 339 HB3 LYS 51 HB1 LYS 51 -3.200 -16.842 -16.322 340 HG2 LYS 51 HG2 LYS 51 -4.088 -13.949 -16.138 341 HG3 LYS 51 HG1 LYS 51 -2.513 -14.539 -15.605 342 HD2 LYS 51 HD2 LYS 51 -2.077 -15.389 -17.899 343 HD3 LYS 51 HD1 LYS 51 -3.625 -14.723 -18.420 344 HE2 LYS 51 HE2 LYS 51 -2.874 -12.462 -17.772 345 HE3 LYS 51 HE1 LYS 51 -1.323 -13.127 -17.257 346 HZ1 LYS 51 HZ1 LYS 51 -2.162 -12.406 -19.852 347 HZ2 LYS 51 HZ2 LYS 51 -1.785 -14.062 -19.825 348 HZ3 LYS 51 HZ3 LYS 51 -0.630 -12.919 -19.334 349 H ALA 52 HN ALA 52 -6.543 -17.417 -15.120 350 HA ALA 52 HA ALA 52 -6.000 -20.118 -15.675 351 HB1 ALA 52 HB1 ALA 52 -8.597 -19.285 -14.440 352 HB2 ALA 52 HB2 ALA 52 -7.090 -18.944 -13.589 353 HB3 ALA 52 HB3 ALA 52 -7.518 -20.606 -13.994 354 H ALA 53 HN ALA 53 -8.534 -17.948 -16.815 355 HA ALA 53 HA ALA 53 -10.196 -19.875 -18.036 356 HB1 ALA 53 HB1 ALA 53 -11.437 -18.056 -18.429 357 HB2 ALA 53 HB2 ALA 53 -10.198 -17.401 -19.500 358 HB3 ALA 53 HB3 ALA 53 -10.135 -17.065 -17.769 359 H GLN 54 HN GLN 54 -7.351 -18.124 -19.161 360 HA GLN 54 HA GLN 54 -7.573 -19.187 -21.857 361 HB2 GLN 54 HB2 GLN 54 -5.478 -17.503 -20.477 362 HB3 GLN 54 HB1 GLN 54 -5.348 -18.035 -22.153 363 HG2 GLN 54 HG2 GLN 54 -7.379 -16.870 -22.751 364 HG3 GLN 54 HG1 GLN 54 -7.712 -16.488 -21.063 365 HE21 GLN 54 HE21 GLN 54 -7.260 -14.583 -23.342 366 HE22 GLN 54 HE22 GLN 54 -5.947 -13.618 -22.867 367 H LEU 55 HN LEU 55 -6.143 -20.132 -18.872 368 HA LEU 55 HA LEU 55 -4.012 -21.703 -19.960 369 HB2 LEU 55 HB2 LEU 55 -5.347 -21.633 -17.257 370 HB3 LEU 55 HB1 LEU 55 -4.038 -22.752 -17.639 371 HG LEU 55 HG LEU 55 -3.820 -19.762 -18.044 372 HD11 LEU 55 HD11 LEU 55 -3.766 -21.305 -15.597 373 HD12 LEU 55 HD12 LEU 55 -3.607 -19.562 -15.808 374 HD13 LEU 55 HD13 LEU 55 -2.181 -20.597 -15.905 375 HD21 LEU 55 HD21 LEU 55 -1.311 -20.734 -17.678 376 HD22 LEU 55 HD22 LEU 55 -2.068 -20.584 -19.263 377 HD23 LEU 55 HD23 LEU 55 -2.081 -22.133 -18.423 378 H LYS 56 HN LYS 56 -3.928 -23.763 -20.548 379 HA LYS 56 HA LYS 56 -6.452 -25.230 -20.816 380 HB2 LYS 56 HB2 LYS 56 -3.693 -25.742 -21.956 381 HB3 LYS 56 HB1 LYS 56 -5.112 -26.740 -22.273 382 HG2 LYS 56 HG2 LYS 56 -6.278 -24.780 -23.222 383 HG3 LYS 56 HG1 LYS 56 -4.855 -23.785 -22.914 384 HD2 LYS 56 HD2 LYS 56 -3.519 -25.266 -24.389 385 HD3 LYS 56 HD1 LYS 56 -4.966 -26.216 -24.725 386 HE2 LYS 56 HE2 LYS 56 -4.661 -23.256 -25.309 387 HE3 LYS 56 HE1 LYS 56 -4.524 -24.543 -26.507 388 HZ1 LYS 56 HZ1 LYS 56 -6.709 -24.294 -26.753 389 HZ2 LYS 56 HZ2 LYS 56 -6.869 -23.389 -25.324 390 HZ3 LYS 56 HZ3 LYS 56 -6.870 -25.086 -25.262 391 H ASP 57 HN ASP 57 -6.327 -27.649 -20.416 392 HA ASP 57 HA ASP 57 -5.708 -28.160 -17.727 393 HB2 ASP 57 HB2 ASP 57 -6.163 -30.490 -18.231 394 HB3 ASP 57 HB1 ASP 57 -7.319 -29.480 -19.099 395 H GLY 58 HN GLY 58 -4.070 -29.536 -16.808 396 HA2 GLY 58 HA2 GLY 58 -1.962 -30.517 -16.672 397 HA3 GLY 58 HA1 GLY 58 -1.753 -30.239 -18.399 398 H GLU 59 HN GLU 59 -2.829 -27.454 -16.869 399 HA GLU 59 HA GLU 59 -0.084 -26.467 -16.438 400 HB2 GLU 59 HB2 GLU 59 -2.279 -25.032 -17.935 401 HB3 GLU 59 HB1 GLU 59 -0.737 -24.313 -17.461 402 HG2 GLU 59 HG2 GLU 59 0.471 -26.008 -18.764 403 HG3 GLU 59 HG1 GLU 59 -1.056 -26.755 -19.228 404 H TRP 60 HN TRP 60 0.120 -24.695 -14.978 405 HA TRP 60 HA TRP 60 -2.253 -24.121 -13.339 406 HB2 TRP 60 HB2 TRP 60 0.446 -24.821 -12.164 407 HB3 TRP 60 HB1 TRP 60 -1.047 -24.496 -11.285 408 HD1 TRP 60 HD1 TRP 60 0.948 -27.285 -12.367 409 HE1 TRP 60 HE1 TRP 60 -0.429 -29.457 -12.532 410 HE3 TRP 60 HE3 TRP 60 -3.778 -25.349 -12.235 411 HZ2 TRP 60 HZ2 TRP 60 -3.168 -30.269 -12.605 412 HZ3 TRP 60 HZ3 TRP 60 -5.749 -26.844 -12.359 413 HH2 TRP 60 HH2 TRP 60 -5.452 -29.299 -12.543 414 H LEU 61 HN LEU 61 -2.192 -22.108 -12.287 415 HA LEU 61 HA LEU 61 -0.274 -20.218 -13.460 416 HB2 LEU 61 HB2 LEU 61 -2.689 -19.700 -13.650 417 HB3 LEU 61 HB1 LEU 61 -2.811 -19.687 -11.890 418 HG LEU 61 HG LEU 61 -1.140 -17.872 -11.788 419 HD11 LEU 61 HD11 LEU 61 -0.676 -18.721 -14.482 420 HD12 LEU 61 HD12 LEU 61 0.216 -17.518 -13.550 421 HD13 LEU 61 HD13 LEU 61 -1.175 -17.029 -14.519 422 HD21 LEU 61 HD21 LEU 61 -3.211 -16.859 -11.793 423 HD22 LEU 61 HD22 LEU 61 -3.696 -17.623 -13.307 424 HD23 LEU 61 HD23 LEU 61 -2.617 -16.229 -13.329 425 H ASN 62 HN ASN 62 1.114 -18.958 -12.200 426 HA ASN 62 HA ASN 62 1.368 -19.841 -9.400 427 HB2 ASN 62 HB2 ASN 62 3.350 -20.209 -10.789 428 HB3 ASN 62 HB1 ASN 62 3.366 -18.508 -11.245 429 HD21 ASN 62 HD21 ASN 62 4.117 -20.773 -8.650 430 HD22 ASN 62 HD22 ASN 62 4.864 -19.638 -7.632 431 H VAL 63 HN VAL 63 0.669 -18.484 -7.880 432 HA VAL 63 HA VAL 63 0.638 -15.588 -8.488 433 HB VAL 63 HB VAL 63 -1.170 -17.168 -6.642 434 HG11 VAL 63 HG11 VAL 63 -2.335 -15.045 -6.312 435 HG12 VAL 63 HG12 VAL 63 -1.207 -14.230 -7.396 436 HG13 VAL 63 HG13 VAL 63 -0.642 -14.863 -5.850 437 HG21 VAL 63 HG21 VAL 63 -2.629 -15.771 -8.599 438 HG22 VAL 63 HG22 VAL 63 -2.371 -17.514 -8.523 439 HG23 VAL 63 HG23 VAL 63 -1.278 -16.501 -9.466 440 H SER 64 HN SER 64 1.950 -14.357 -7.269 441 HA SER 64 HA SER 64 2.522 -15.087 -4.512 442 HB2 SER 64 HB2 SER 64 4.229 -16.311 -5.864 443 HB3 SER 64 HB1 SER 64 4.764 -14.767 -6.521 444 HG SER 64 HG SER 64 5.007 -15.818 -3.937 445 H HIS 65 HN HIS 65 4.212 -13.366 -3.660 446 HA HIS 65 HA HIS 65 3.729 -10.746 -4.907 447 HB2 HIS 65 HB2 HIS 65 2.970 -9.757 -2.857 448 HB3 HIS 65 HB1 HIS 65 1.983 -11.194 -3.129 449 HD1 HIS 65 HD1 HIS 65 2.769 -13.399 -1.773 450 HD2 HIS 65 HD2 HIS 65 4.405 -9.792 -0.472 451 HE1 HIS 65 HE1 HIS 65 3.726 -13.835 0.531 452 H GLU 66 HN GLU 66 5.174 -9.043 -4.009 453 HA GLU 66 HA GLU 66 7.665 -10.211 -2.942 454 HB2 GLU 66 HB2 GLU 66 7.903 -9.441 -5.271 455 HB3 GLU 66 HB1 GLU 66 7.332 -7.841 -4.797 456 HG2 GLU 66 HG2 GLU 66 9.233 -7.596 -3.262 457 HG3 GLU 66 HG1 GLU 66 9.797 -9.212 -3.684 458 H ALA 67 HN ALA 67 8.515 -9.276 -1.138 459 HA ALA 67 HA ALA 67 6.916 -7.526 0.419 460 HB1 ALA 67 HB1 ALA 67 8.280 -8.793 1.769 461 HB2 ALA 67 HB2 ALA 67 9.257 -7.327 1.671 462 HB3 ALA 67 HB3 ALA 67 9.641 -8.714 0.651 Start of MODEL 3 1 H MET 1 HT1 MET 1 5.743 -0.622 0.831 2 HA MET 1 HA MET 1 3.879 -1.272 -0.143 3 HB2 MET 1 HB2 MET 1 3.764 -0.988 -2.587 4 HG2 MET 1 HG2 MET 1 6.792 -0.917 -2.405 5 HE1 MET 1 HE1 MET 1 7.669 -1.709 -4.621 6 HE2 MET 1 HE2 MET 1 8.092 -0.130 -5.278 7 HE3 MET 1 HE3 MET 1 7.089 -1.228 -6.221 8 H THR 2 HN THR 2 2.771 -2.966 -1.471 9 HA THR 2 HA THR 2 4.356 -5.463 -1.484 10 HB THR 2 HB THR 2 1.390 -5.086 -1.000 11 HG1 THR 2 HG1 THR 2 1.938 -5.710 1.090 12 HG21 THR 2 HG21 THR 2 3.165 -7.520 -1.204 13 HG22 THR 2 HG22 THR 2 1.667 -7.187 -2.073 14 HG23 THR 2 HG23 THR 2 1.623 -7.556 -0.349 15 H THR 3 HN THR 3 4.512 -6.545 -3.356 16 HA THR 3 HA THR 3 2.663 -5.813 -5.550 17 HB THR 3 HB THR 3 4.991 -4.842 -5.780 18 HG1 THR 3 HG1 THR 3 3.554 -5.460 -7.555 19 HG21 THR 3 HG21 THR 3 6.191 -7.297 -6.711 20 HG22 THR 3 HG22 THR 3 5.707 -7.461 -5.023 21 HG23 THR 3 HG23 THR 3 6.791 -6.157 -5.506 22 H PHE 4 HN PHE 4 2.025 -7.442 -6.927 23 HA PHE 4 HA PHE 4 2.736 -10.186 -6.080 24 HB2 PHE 4 HB2 PHE 4 0.145 -9.132 -7.247 25 HB3 PHE 4 HB1 PHE 4 0.476 -10.816 -6.859 26 HD1 PHE 4 HD1 PHE 4 -0.264 -7.492 -5.507 27 HD2 PHE 4 HD2 PHE 4 0.727 -11.551 -4.517 28 HE1 PHE 4 HE1 PHE 4 -0.949 -7.087 -3.160 29 HE2 PHE 4 HE2 PHE 4 0.043 -11.146 -2.168 30 HZ PHE 4 HZ PHE 4 -0.795 -8.914 -1.489 31 H THR 5 HN THR 5 3.368 -11.612 -7.615 32 HA THR 5 HA THR 5 3.260 -10.723 -10.431 33 HB THR 5 HB THR 5 5.503 -11.654 -10.759 34 HG1 THR 5 HG1 THR 5 5.696 -11.888 -7.963 35 HG21 THR 5 HG21 THR 5 6.737 -10.005 -9.236 36 HG22 THR 5 HG22 THR 5 5.150 -9.595 -8.582 37 HG23 THR 5 HG23 THR 5 5.498 -9.326 -10.291 38 H SER 6 HN SER 6 3.208 -12.412 -11.994 39 HA SER 6 HA SER 6 2.661 -15.109 -10.952 40 HB2 SER 6 HB2 SER 6 0.900 -13.607 -12.897 41 HB3 SER 6 HB1 SER 6 0.714 -15.304 -12.459 42 HG SER 6 HG SER 6 0.667 -13.108 -10.654 43 H ILE 7 HN ILE 7 3.073 -16.812 -12.411 44 HA ILE 7 HA ILE 7 4.215 -16.125 -15.021 45 HB ILE 7 HB ILE 7 5.571 -17.890 -12.959 46 HG12 ILE 7 HG12 ILE 7 6.545 -15.322 -14.244 47 HG13 ILE 7 HG11 ILE 7 5.771 -15.379 -12.659 48 HG21 ILE 7 HG21 ILE 7 6.266 -17.202 -15.830 49 HG22 ILE 7 HG22 ILE 7 5.844 -18.796 -15.201 50 HG23 ILE 7 HG23 ILE 7 7.354 -18.026 -14.714 51 HD11 ILE 7 HD11 ILE 7 7.732 -17.395 -12.601 52 HD12 ILE 7 HD12 ILE 7 7.789 -15.840 -11.771 53 HD13 ILE 7 HD13 ILE 7 8.506 -16.012 -13.373 54 H VAL 8 HN VAL 8 3.805 -17.782 -16.584 55 HA VAL 8 HA VAL 8 1.789 -19.694 -15.737 56 HB VAL 8 HB VAL 8 2.958 -19.101 -18.463 57 HG11 VAL 8 HG11 VAL 8 1.916 -20.972 -19.148 58 HG12 VAL 8 HG12 VAL 8 0.386 -20.307 -18.577 59 HG13 VAL 8 HG13 VAL 8 1.374 -21.294 -17.500 60 HG21 VAL 8 HG21 VAL 8 0.267 -18.374 -17.265 61 HG22 VAL 8 HG22 VAL 8 0.886 -17.887 -18.843 62 HG23 VAL 8 HG23 VAL 8 1.633 -17.262 -17.372 63 H THR 9 HN THR 9 2.569 -21.398 -14.726 64 HA THR 9 HA THR 9 4.294 -23.249 -16.160 65 HB THR 9 HB THR 9 5.254 -21.634 -13.922 66 HG1 THR 9 HG1 THR 9 7.195 -22.371 -14.741 67 HG21 THR 9 HG21 THR 9 4.747 -23.416 -12.462 68 HG22 THR 9 HG22 THR 9 6.426 -23.716 -12.919 69 HG23 THR 9 HG23 THR 9 5.127 -24.636 -13.679 70 H THR 10 HN THR 10 3.956 -25.447 -15.397 71 HA THR 10 HA THR 10 1.870 -25.569 -13.303 72 HB THR 10 HB THR 10 0.564 -26.309 -14.993 73 HG1 THR 10 HG1 THR 10 1.783 -28.688 -15.352 74 HG21 THR 10 HG21 THR 10 1.558 -27.316 -17.094 75 HG22 THR 10 HG22 THR 10 3.149 -27.000 -16.407 76 HG23 THR 10 HG23 THR 10 2.057 -25.659 -16.760 77 H ASN 11 HN ASN 11 3.330 -26.004 -11.669 78 HA ASN 11 HA ASN 11 4.320 -28.776 -11.624 79 HB2 ASN 11 HB2 ASN 11 6.407 -27.989 -10.537 80 HB3 ASN 11 HB1 ASN 11 6.254 -27.414 -12.197 81 HD21 ASN 11 HD21 ASN 11 7.360 -25.411 -12.016 82 HD22 ASN 11 HD22 ASN 11 6.867 -24.165 -10.975 83 HA PRO 12 HA PRO 12 1.761 -27.282 -7.937 84 HB2 PRO 12 HB2 PRO 12 0.719 -30.033 -8.489 85 HB3 PRO 12 HB1 PRO 12 -0.162 -28.571 -8.006 86 HG2 PRO 12 HG2 PRO 12 -0.249 -29.444 -10.506 87 HG3 PRO 12 HG1 PRO 12 -0.180 -27.711 -10.143 88 HD2 PRO 12 HD2 PRO 12 1.981 -29.499 -11.184 89 HD3 PRO 12 HD1 PRO 12 1.691 -27.775 -11.502 90 H ASP 13 HN ASP 13 2.953 -27.488 -6.174 91 HA ASP 13 HA ASP 13 4.069 -30.135 -5.471 92 HB2 ASP 13 HB2 ASP 13 5.338 -27.407 -5.199 93 HB3 ASP 13 HB1 ASP 13 5.927 -28.829 -4.341 94 H PHE 14 HN PHE 14 3.689 -30.834 -3.428 95 HA PHE 14 HA PHE 14 2.069 -29.078 -1.708 96 HB2 PHE 14 HB2 PHE 14 2.530 -32.071 -1.616 97 HB3 PHE 14 HB1 PHE 14 1.493 -31.170 -0.511 98 HD1 PHE 14 HD1 PHE 14 1.870 -32.481 -3.912 99 HD2 PHE 14 HD2 PHE 14 -0.582 -30.093 -1.316 100 HE1 PHE 14 HE1 PHE 14 0.010 -32.611 -5.547 101 HE2 PHE 14 HE2 PHE 14 -2.440 -30.222 -2.952 102 HZ PHE 14 HZ PHE 14 -2.145 -31.481 -5.068 103 H GLY 15 HN GLY 15 5.218 -30.203 -2.078 104 HA2 GLY 15 HA2 GLY 15 6.071 -30.661 0.552 105 HA3 GLY 15 HA1 GLY 15 7.099 -30.115 -0.768 106 H GLY 16 HN GLY 16 5.781 -27.629 -1.287 107 HA2 GLY 16 HA2 GLY 16 6.402 -26.171 1.215 108 HA3 GLY 16 HA1 GLY 16 6.842 -25.577 -0.385 109 H PHE 17 HN PHE 17 5.588 -23.686 0.572 110 HA PHE 17 HA PHE 17 2.681 -24.027 0.361 111 HB2 PHE 17 HB2 PHE 17 2.560 -21.755 1.295 112 HB3 PHE 17 HB1 PHE 17 3.547 -22.804 2.314 113 HD1 PHE 17 HD1 PHE 17 3.557 -19.959 -0.011 114 HD2 PHE 17 HD2 PHE 17 5.992 -22.571 2.376 115 HE1 PHE 17 HE1 PHE 17 5.475 -18.407 -0.269 116 HE2 PHE 17 HE2 PHE 17 7.908 -21.020 2.118 117 HZ PHE 17 HZ PHE 17 7.651 -18.938 0.796 118 H GLU 18 HN GLU 18 1.785 -23.741 -1.560 119 HA GLU 18 HA GLU 18 2.458 -21.422 -3.162 120 HB2 GLU 18 HB2 GLU 18 2.879 -24.223 -4.227 121 HB3 GLU 18 HB1 GLU 18 2.837 -22.767 -5.226 122 HG2 GLU 18 HG2 GLU 18 5.117 -22.934 -4.845 123 HG3 GLU 18 HG1 GLU 18 4.646 -21.924 -3.480 124 H PHE 19 HN PHE 19 0.730 -20.747 -4.394 125 HA PHE 19 HA PHE 19 -1.671 -22.472 -4.286 126 HB2 PHE 19 HB2 PHE 19 -1.826 -20.344 -2.994 127 HB3 PHE 19 HB1 PHE 19 -1.542 -19.455 -4.491 128 HD1 PHE 19 HD1 PHE 19 -3.881 -21.679 -2.691 129 HD2 PHE 19 HD2 PHE 19 -3.261 -19.279 -6.201 130 HE1 PHE 19 HE1 PHE 19 -6.289 -21.869 -3.249 131 HE2 PHE 19 HE2 PHE 19 -5.670 -19.471 -6.755 132 HZ PHE 19 HZ PHE 19 -7.184 -20.763 -5.279 133 H TYR 20 HN TYR 20 -2.462 -23.156 -6.180 134 HA TYR 20 HA TYR 20 -1.711 -21.667 -8.627 135 HB2 TYR 20 HB2 TYR 20 -1.908 -24.673 -8.306 136 HB3 TYR 20 HB1 TYR 20 -1.577 -23.821 -9.812 137 HD1 TYR 20 HD1 TYR 20 0.495 -22.320 -9.931 138 HD2 TYR 20 HD2 TYR 20 -0.173 -25.168 -6.785 139 HE1 TYR 20 HE1 TYR 20 2.910 -22.265 -9.366 140 HE2 TYR 20 HE2 TYR 20 2.240 -25.113 -6.221 141 HH TYR 20 HH TYR 20 4.167 -23.879 -6.514 142 H VAL 21 HN VAL 21 -3.327 -21.319 -10.094 143 HA VAL 21 HA VAL 21 -6.024 -22.151 -9.278 144 HB VAL 21 HB VAL 21 -5.106 -20.087 -11.296 145 HG11 VAL 21 HG11 VAL 21 -7.201 -20.642 -12.102 146 HG12 VAL 21 HG12 VAL 21 -7.662 -19.468 -10.870 147 HG13 VAL 21 HG13 VAL 21 -7.776 -21.194 -10.528 148 HG21 VAL 21 HG21 VAL 21 -6.358 -19.808 -8.546 149 HG22 VAL 21 HG22 VAL 21 -5.955 -18.474 -9.630 150 HG23 VAL 21 HG23 VAL 21 -4.672 -19.470 -8.937 151 H GLU 22 HN GLU 22 -6.914 -23.850 -10.238 152 HA GLU 22 HA GLU 22 -5.767 -25.153 -12.495 153 HB2 GLU 22 HB2 GLU 22 -7.111 -26.335 -10.777 154 HB3 GLU 22 HB1 GLU 22 -8.545 -25.472 -11.329 155 HG2 GLU 22 HG2 GLU 22 -8.298 -26.452 -13.566 156 HG3 GLU 22 HG1 GLU 22 -6.832 -27.285 -13.053 157 H ALA 23 HN ALA 23 -6.305 -25.060 -14.655 158 HA ALA 23 HA ALA 23 -7.263 -22.740 -15.777 159 HB1 ALA 23 HB1 ALA 23 -6.288 -24.129 -17.348 160 HB2 ALA 23 HB2 ALA 23 -7.993 -24.389 -17.717 161 HB3 ALA 23 HB3 ALA 23 -7.112 -25.567 -16.744 162 H GLY 24 HN GLY 24 -9.179 -21.781 -15.881 163 HA2 GLY 24 HA2 GLY 24 -11.479 -21.494 -15.977 164 HA3 GLY 24 HA1 GLY 24 -11.650 -23.242 -16.103 165 H GLN 25 HN GLN 25 -9.694 -22.239 -13.496 166 HA GLN 25 HA GLN 25 -11.911 -22.780 -11.620 167 HB2 GLN 25 HB2 GLN 25 -10.039 -24.382 -11.526 168 HB3 GLN 25 HB1 GLN 25 -8.927 -23.054 -11.185 169 HG2 GLN 25 HG2 GLN 25 -9.600 -24.173 -9.099 170 HG3 GLN 25 HG1 GLN 25 -10.199 -22.516 -9.139 171 HE21 GLN 25 HE21 GLN 25 -11.290 -25.841 -10.030 172 HE22 GLN 25 HE22 GLN 25 -12.908 -25.579 -9.592 173 H GLN 26 HN GLN 26 -12.480 -21.299 -10.140 174 HA GLN 26 HA GLN 26 -11.579 -18.618 -10.394 175 HB2 GLN 26 HB2 GLN 26 -13.216 -19.905 -8.195 176 HB3 GLN 26 HB1 GLN 26 -13.040 -18.171 -8.466 177 HG2 GLN 26 HG2 GLN 26 -15.089 -18.767 -9.524 178 HG3 GLN 26 HG1 GLN 26 -13.919 -18.596 -10.830 179 HE21 GLN 26 HE21 GLN 26 -14.766 -21.269 -8.542 180 HE22 GLN 26 HE22 GLN 26 -14.905 -22.447 -9.757 181 H PHE 27 HN PHE 27 -10.504 -17.324 -8.899 182 HA PHE 27 HA PHE 27 -8.460 -18.753 -7.342 183 HB2 PHE 27 HB2 PHE 27 -7.638 -17.078 -8.910 184 HB3 PHE 27 HB1 PHE 27 -8.661 -15.847 -8.167 185 HD1 PHE 27 HD1 PHE 27 -5.783 -18.124 -7.574 186 HD2 PHE 27 HD2 PHE 27 -8.021 -14.755 -6.141 187 HE1 PHE 27 HE1 PHE 27 -4.018 -17.669 -5.895 188 HE2 PHE 27 HE2 PHE 27 -6.255 -14.294 -4.462 189 HZ PHE 27 HZ PHE 27 -4.253 -15.753 -4.338 190 H ASP 28 HN ASP 28 -8.641 -18.941 -5.204 191 HA ASP 28 HA ASP 28 -10.691 -17.437 -3.788 192 HB2 ASP 28 HB2 ASP 28 -10.389 -19.848 -3.343 193 HB3 ASP 28 HB1 ASP 28 -8.746 -19.532 -2.787 194 H ASP 29 HN ASP 29 -10.040 -15.355 -3.525 195 HA ASP 29 HA ASP 29 -7.378 -14.561 -2.929 196 HB2 ASP 29 HB2 ASP 29 -8.369 -12.357 -2.485 197 HB3 ASP 29 HB1 ASP 29 -8.999 -13.049 -3.979 198 H SER 30 HN SER 30 -10.062 -15.595 -0.955 199 HA SER 30 HA SER 30 -9.253 -14.432 1.495 200 HB2 SER 30 HB2 SER 30 -10.844 -16.938 0.922 201 HB3 SER 30 HB1 SER 30 -10.650 -16.231 2.523 202 HG SER 30 HG SER 30 -12.318 -15.529 0.536 203 H ALA 31 HN ALA 31 -8.562 -17.609 0.031 204 HA ALA 31 HA ALA 31 -7.044 -18.616 2.191 205 HB1 ALA 31 HB1 ALA 31 -6.240 -20.282 0.595 206 HB2 ALA 31 HB2 ALA 31 -6.840 -19.308 -0.748 207 HB3 ALA 31 HB3 ALA 31 -7.975 -20.031 0.392 208 H TYR 32 HN TYR 32 -6.108 -16.872 -0.758 209 HA TYR 32 HA TYR 32 -3.317 -17.032 -0.392 210 HB2 TYR 32 HB2 TYR 32 -4.383 -16.315 -2.509 211 HB3 TYR 32 HB1 TYR 32 -4.897 -14.820 -1.725 212 HD1 TYR 32 HD1 TYR 32 -3.244 -13.129 -1.022 213 HD2 TYR 32 HD2 TYR 32 -2.055 -16.701 -3.087 214 HE1 TYR 32 HE1 TYR 32 -1.034 -12.113 -1.503 215 HE2 TYR 32 HE2 TYR 32 0.157 -15.689 -3.564 216 HH TYR 32 HH TYR 32 1.234 -13.598 -3.681 217 H GLU 33 HN GLU 33 -5.647 -14.512 0.532 218 HA GLU 33 HA GLU 33 -3.725 -12.841 1.806 219 HB2 GLU 33 HB2 GLU 33 -5.631 -11.632 2.691 220 HB3 GLU 33 HB1 GLU 33 -5.967 -12.067 1.015 221 HG2 GLU 33 HG2 GLU 33 -7.226 -14.057 1.814 222 HG3 GLU 33 HG1 GLU 33 -6.946 -13.539 3.477 223 H GLU 34 HN GLU 34 -5.852 -15.418 2.917 224 HA GLU 34 HA GLU 34 -5.473 -15.093 5.682 225 HB2 GLU 34 HB2 GLU 34 -7.204 -16.556 4.725 226 HB3 GLU 34 HB1 GLU 34 -5.955 -17.656 4.143 227 HG2 GLU 34 HG2 GLU 34 -5.203 -18.050 6.448 228 HG3 GLU 34 HG1 GLU 34 -6.415 -16.919 7.048 229 H ALA 35 HN ALA 35 -3.688 -17.159 3.363 230 HA ALA 35 HA ALA 35 -1.885 -18.218 5.268 231 HB1 ALA 35 HB1 ALA 35 -2.218 -19.234 3.061 232 HB2 ALA 35 HB2 ALA 35 -0.518 -18.842 3.316 233 HB3 ALA 35 HB3 ALA 35 -1.517 -17.811 2.290 234 H TYR 36 HN TYR 36 -1.576 -15.482 3.018 235 HA TYR 36 HA TYR 36 1.017 -14.756 4.074 236 HB2 TYR 36 HB2 TYR 36 -0.808 -13.356 2.109 237 HB3 TYR 36 HB1 TYR 36 0.826 -12.829 2.512 238 HD1 TYR 36 HD1 TYR 36 -1.102 -14.833 0.322 239 HD2 TYR 36 HD2 TYR 36 2.687 -14.707 2.339 240 HE1 TYR 36 HE1 TYR 36 -0.183 -16.460 -1.306 241 HE2 TYR 36 HE2 TYR 36 3.609 -16.331 0.707 242 HH TYR 36 HH TYR 36 2.102 -18.289 -0.985 243 H GLY 37 HN GLY 37 -2.229 -14.085 4.881 244 HA2 GLY 37 HA2 GLY 37 -3.076 -12.868 6.656 245 HA3 GLY 37 HA1 GLY 37 -1.431 -12.393 7.063 246 H VAL 38 HN VAL 38 -2.349 -11.830 3.801 247 HA VAL 38 HA VAL 38 -2.956 -9.004 4.429 248 HB VAL 38 HB VAL 38 -1.626 -8.359 2.431 249 HG11 VAL 38 HG11 VAL 38 -0.513 -8.115 4.523 250 HG12 VAL 38 HG12 VAL 38 0.633 -8.966 3.489 251 HG13 VAL 38 HG13 VAL 38 -0.293 -9.857 4.694 252 HG21 VAL 38 HG21 VAL 38 0.078 -10.551 2.114 253 HG22 VAL 38 HG22 VAL 38 -1.156 -10.020 0.970 254 HG23 VAL 38 HG23 VAL 38 -1.536 -11.264 2.160 255 H SER 39 HN SER 39 -4.585 -8.112 3.332 256 HA SER 39 HA SER 39 -6.443 -9.705 1.941 257 HB2 SER 39 HB2 SER 39 -6.145 -6.697 2.030 258 HB3 SER 39 HB1 SER 39 -7.548 -7.548 1.388 259 HG SER 39 HG SER 39 -7.391 -8.649 3.598 260 H VAL 40 HN VAL 40 -6.953 -9.929 -0.191 261 HA VAL 40 HA VAL 40 -4.910 -9.016 -2.124 262 HB VAL 40 HB VAL 40 -6.795 -11.381 -2.278 263 HG11 VAL 40 HG11 VAL 40 -5.497 -11.960 -4.293 264 HG12 VAL 40 HG12 VAL 40 -4.555 -10.480 -4.115 265 HG13 VAL 40 HG13 VAL 40 -6.278 -10.390 -4.481 266 HG21 VAL 40 HG21 VAL 40 -5.137 -12.647 -1.392 267 HG22 VAL 40 HG22 VAL 40 -4.466 -11.123 -0.810 268 HG23 VAL 40 HG23 VAL 40 -3.893 -11.818 -2.327 269 HA PRO 41 HA PRO 41 -8.239 -6.454 -3.644 270 HB2 PRO 41 HB2 PRO 41 -6.894 -5.473 -5.821 271 HB3 PRO 41 HB1 PRO 41 -6.636 -4.885 -4.166 272 HG2 PRO 41 HG2 PRO 41 -5.029 -6.833 -5.753 273 HG3 PRO 41 HG1 PRO 41 -4.484 -5.519 -4.696 274 HD2 PRO 41 HD2 PRO 41 -4.497 -8.109 -3.875 275 HD3 PRO 41 HD1 PRO 41 -4.801 -6.760 -2.755 276 H SER 42 HN SER 42 -9.813 -6.609 -5.214 277 HA SER 42 HA SER 42 -10.176 -9.037 -6.561 278 HB2 SER 42 HB2 SER 42 -11.491 -6.346 -6.962 279 HB3 SER 42 HB1 SER 42 -12.042 -7.836 -7.723 280 HG SER 42 HG SER 42 -12.374 -8.703 -5.668 281 H ALA 43 HN ALA 43 -8.883 -5.947 -7.684 282 HA ALA 43 HA ALA 43 -8.914 -6.454 -10.442 283 HB1 ALA 43 HB1 ALA 43 -7.396 -4.659 -8.630 284 HB2 ALA 43 HB2 ALA 43 -8.328 -4.276 -10.078 285 HB3 ALA 43 HB3 ALA 43 -6.701 -4.942 -10.226 286 H VAL 44 HN VAL 44 -6.502 -7.301 -7.973 287 HA VAL 44 HA VAL 44 -4.635 -8.419 -9.830 288 HB VAL 44 HB VAL 44 -4.988 -8.774 -6.848 289 HG11 VAL 44 HG11 VAL 44 -2.368 -9.422 -7.920 290 HG12 VAL 44 HG12 VAL 44 -3.610 -10.464 -8.615 291 HG13 VAL 44 HG13 VAL 44 -3.406 -10.381 -6.865 292 HG21 VAL 44 HG21 VAL 44 -4.279 -6.524 -7.891 293 HG22 VAL 44 HG22 VAL 44 -2.790 -7.349 -8.353 294 HG23 VAL 44 HG23 VAL 44 -3.222 -7.197 -6.650 295 H VAL 45 HN VAL 45 -7.167 -9.747 -7.743 296 HA VAL 45 HA VAL 45 -6.747 -12.480 -8.302 297 HB VAL 45 HB VAL 45 -9.188 -10.952 -7.389 298 HG11 VAL 45 HG11 VAL 45 -9.737 -13.430 -6.600 299 HG12 VAL 45 HG12 VAL 45 -8.755 -13.850 -8.005 300 HG13 VAL 45 HG13 VAL 45 -10.206 -12.867 -8.203 301 HG21 VAL 45 HG21 VAL 45 -8.240 -11.108 -5.349 302 HG22 VAL 45 HG22 VAL 45 -6.778 -11.713 -6.129 303 HG23 VAL 45 HG23 VAL 45 -7.999 -12.843 -5.547 304 H GLU 46 HN GLU 46 -8.897 -10.082 -9.868 305 HA GLU 46 HA GLU 46 -10.222 -11.934 -11.535 306 HB2 GLU 46 HB2 GLU 46 -10.873 -10.000 -12.878 307 HB3 GLU 46 HB1 GLU 46 -11.017 -9.623 -11.160 308 HG2 GLU 46 HG2 GLU 46 -8.814 -8.518 -11.219 309 HG3 GLU 46 HG1 GLU 46 -8.677 -8.880 -12.939 310 H GLU 47 HN GLU 47 -7.282 -9.981 -12.071 311 HA GLU 47 HA GLU 47 -6.855 -10.726 -14.739 312 HB2 GLU 47 HB2 GLU 47 -5.624 -8.902 -13.622 313 HB3 GLU 47 HB1 GLU 47 -4.786 -10.088 -12.623 314 HG2 GLU 47 HG2 GLU 47 -3.826 -11.129 -14.628 315 HG3 GLU 47 HG1 GLU 47 -4.693 -9.986 -15.651 316 H MET 48 HN MET 48 -5.779 -12.238 -11.707 317 HA MET 48 HA MET 48 -4.247 -14.302 -12.904 318 HB2 MET 48 HB2 MET 48 -5.680 -14.167 -10.239 319 HB3 MET 48 HB1 MET 48 -4.577 -15.462 -10.703 320 HG2 MET 48 HG2 MET 48 -3.879 -12.516 -10.530 321 HG3 MET 48 HG1 MET 48 -3.393 -13.761 -9.381 322 HE1 MET 48 HE1 MET 48 -3.263 -12.581 -13.095 323 HE2 MET 48 HE2 MET 48 -1.509 -12.536 -13.253 324 HE3 MET 48 HE3 MET 48 -2.293 -11.618 -11.972 325 H ASN 49 HN ASN 49 -7.620 -14.005 -11.965 326 HA ASN 49 HA ASN 49 -8.403 -16.685 -12.503 327 HB2 ASN 49 HB2 ASN 49 -9.947 -14.094 -12.360 328 HB3 ASN 49 HB1 ASN 49 -10.719 -15.654 -12.645 329 HD21 ASN 49 HD21 ASN 49 -11.207 -14.061 -10.270 330 HD22 ASN 49 HD22 ASN 49 -10.614 -14.934 -8.941 331 H ALA 50 HN ALA 50 -8.289 -13.749 -14.446 332 HA ALA 50 HA ALA 50 -9.679 -14.698 -16.703 333 HB1 ALA 50 HB1 ALA 50 -7.377 -12.786 -16.945 334 HB2 ALA 50 HB2 ALA 50 -8.852 -12.298 -16.111 335 HB3 ALA 50 HB3 ALA 50 -8.917 -12.786 -17.804 336 H LYS 51 HN LYS 51 -6.214 -14.797 -15.898 337 HA LYS 51 HA LYS 51 -5.340 -15.911 -18.332 338 HB2 LYS 51 HB2 LYS 51 -4.194 -16.055 -15.541 339 HB3 LYS 51 HB1 LYS 51 -3.377 -16.721 -16.955 340 HG2 LYS 51 HG2 LYS 51 -3.551 -14.456 -18.036 341 HG3 LYS 51 HG1 LYS 51 -4.169 -13.832 -16.507 342 HD2 LYS 51 HD2 LYS 51 -1.521 -15.277 -16.776 343 HD3 LYS 51 HD1 LYS 51 -1.684 -13.521 -16.816 344 HE2 LYS 51 HE2 LYS 51 -2.756 -13.588 -14.581 345 HE3 LYS 51 HE1 LYS 51 -2.523 -15.336 -14.536 346 HZ1 LYS 51 HZ1 LYS 51 -0.145 -14.998 -14.713 347 HZ2 LYS 51 HZ2 LYS 51 -0.758 -14.166 -13.365 348 HZ3 LYS 51 HZ3 LYS 51 -0.359 -13.317 -14.782 349 H ALA 52 HN ALA 52 -6.489 -17.430 -15.332 350 HA ALA 52 HA ALA 52 -5.917 -20.095 -16.003 351 HB1 ALA 52 HB1 ALA 52 -7.153 -20.655 -14.141 352 HB2 ALA 52 HB2 ALA 52 -8.400 -19.455 -14.477 353 HB3 ALA 52 HB3 ALA 52 -6.854 -18.952 -13.791 354 H ALA 53 HN ALA 53 -8.597 -17.982 -16.823 355 HA ALA 53 HA ALA 53 -10.363 -19.909 -17.876 356 HB1 ALA 53 HB1 ALA 53 -11.150 -17.866 -19.272 357 HB2 ALA 53 HB2 ALA 53 -9.981 -16.960 -18.312 358 HB3 ALA 53 HB3 ALA 53 -11.312 -17.800 -17.517 359 H GLN 54 HN GLN 54 -7.643 -18.154 -19.295 360 HA GLN 54 HA GLN 54 -8.141 -19.309 -21.927 361 HB2 GLN 54 HB2 GLN 54 -5.923 -17.513 -20.923 362 HB3 GLN 54 HB1 GLN 54 -6.122 -18.032 -22.597 363 HG2 GLN 54 HG2 GLN 54 -7.243 -16.004 -22.662 364 HG3 GLN 54 HG1 GLN 54 -8.575 -17.084 -22.252 365 HE21 GLN 54 HE21 GLN 54 -5.954 -15.399 -20.412 366 HE22 GLN 54 HE22 GLN 54 -6.988 -14.832 -19.191 367 H LEU 55 HN LEU 55 -6.473 -20.164 -19.089 368 HA LEU 55 HA LEU 55 -4.308 -21.602 -20.306 369 HB2 LEU 55 HB2 LEU 55 -5.499 -21.630 -17.535 370 HB3 LEU 55 HB1 LEU 55 -4.159 -22.678 -18.002 371 HG LEU 55 HG LEU 55 -4.104 -19.675 -18.378 372 HD11 LEU 55 HD11 LEU 55 -4.130 -20.981 -15.929 373 HD12 LEU 55 HD12 LEU 55 -3.448 -19.383 -16.228 374 HD13 LEU 55 HD13 LEU 55 -2.409 -20.805 -16.274 375 HD21 LEU 55 HD21 LEU 55 -2.487 -20.680 -19.774 376 HD22 LEU 55 HD22 LEU 55 -2.116 -21.932 -18.591 377 HD23 LEU 55 HD23 LEU 55 -1.579 -20.275 -18.317 378 H LYS 56 HN LYS 56 -4.135 -23.692 -20.858 379 HA LYS 56 HA LYS 56 -6.614 -25.229 -21.094 380 HB2 LYS 56 HB2 LYS 56 -3.840 -25.718 -22.212 381 HB3 LYS 56 HB1 LYS 56 -5.259 -26.713 -22.545 382 HG2 LYS 56 HG2 LYS 56 -6.414 -24.684 -23.443 383 HG3 LYS 56 HG1 LYS 56 -4.914 -23.779 -23.226 384 HD2 LYS 56 HD2 LYS 56 -5.115 -26.306 -24.884 385 HD3 LYS 56 HD1 LYS 56 -5.250 -24.683 -25.561 386 HE2 LYS 56 HE2 LYS 56 -3.007 -24.139 -24.631 387 HE3 LYS 56 HE1 LYS 56 -2.871 -25.797 -24.046 388 HZ1 LYS 56 HZ1 LYS 56 -2.644 -26.621 -26.142 389 HZ2 LYS 56 HZ2 LYS 56 -1.922 -25.100 -26.368 390 HZ3 LYS 56 HZ3 LYS 56 -3.523 -25.365 -26.868 391 H ASP 57 HN ASP 57 -6.425 -27.643 -20.673 392 HA ASP 57 HA ASP 57 -5.821 -28.106 -17.971 393 HB2 ASP 57 HB2 ASP 57 -6.214 -30.452 -18.454 394 HB3 ASP 57 HB1 ASP 57 -7.386 -29.479 -19.341 395 H GLY 58 HN GLY 58 -4.168 -29.428 -17.018 396 HA2 GLY 58 HA2 GLY 58 -2.039 -30.343 -16.823 397 HA3 GLY 58 HA1 GLY 58 -1.821 -30.131 -18.559 398 H GLU 59 HN GLU 59 -2.962 -27.344 -17.014 399 HA GLU 59 HA GLU 59 -0.234 -26.253 -16.715 400 HB2 GLU 59 HB2 GLU 59 -2.565 -25.002 -18.173 401 HB3 GLU 59 HB1 GLU 59 -1.133 -24.099 -17.675 402 HG2 GLU 59 HG2 GLU 59 0.303 -25.545 -18.996 403 HG3 GLU 59 HG1 GLU 59 -1.061 -26.585 -19.405 404 H TRP 60 HN TRP 60 0.006 -24.589 -15.190 405 HA TRP 60 HA TRP 60 -2.322 -24.009 -13.494 406 HB2 TRP 60 HB2 TRP 60 0.363 -24.972 -12.485 407 HB3 TRP 60 HB1 TRP 60 -0.934 -24.350 -11.470 408 HD1 TRP 60 HD1 TRP 60 0.146 -27.397 -13.417 409 HE1 TRP 60 HE1 TRP 60 -1.523 -29.316 -12.994 410 HE3 TRP 60 HE3 TRP 60 -3.508 -24.848 -10.929 411 HZ2 TRP 60 HZ2 TRP 60 -4.075 -29.715 -11.760 412 HZ3 TRP 60 HZ3 TRP 60 -5.545 -26.019 -10.139 413 HH2 TRP 60 HH2 TRP 60 -5.833 -28.447 -10.551 414 H LEU 61 HN LEU 61 -2.205 -22.054 -12.381 415 HA LEU 61 HA LEU 61 -0.240 -20.156 -13.487 416 HB2 LEU 61 HB2 LEU 61 -2.648 -19.609 -13.734 417 HB3 LEU 61 HB1 LEU 61 -2.823 -19.642 -11.979 418 HG LEU 61 HG LEU 61 -1.155 -17.835 -11.777 419 HD11 LEU 61 HD11 LEU 61 -0.609 -18.623 -14.479 420 HD12 LEU 61 HD12 LEU 61 0.269 -17.462 -13.482 421 HD13 LEU 61 HD13 LEU 61 -1.081 -16.923 -14.480 422 HD21 LEU 61 HD21 LEU 61 -2.531 -16.036 -12.781 423 HD22 LEU 61 HD22 LEU 61 -3.548 -17.252 -12.009 424 HD23 LEU 61 HD23 LEU 61 -3.376 -17.233 -13.764 425 H ASN 62 HN ASN 62 1.197 -19.070 -12.164 426 HA ASN 62 HA ASN 62 1.209 -19.913 -9.335 427 HB2 ASN 62 HB2 ASN 62 3.172 -20.654 -10.592 428 HB3 ASN 62 HB1 ASN 62 3.488 -18.997 -11.102 429 HD21 ASN 62 HD21 ASN 62 3.369 -21.107 -8.214 430 HD22 ASN 62 HD22 ASN 62 4.374 -20.122 -7.264 431 H VAL 63 HN VAL 63 0.721 -18.406 -7.885 432 HA VAL 63 HA VAL 63 1.060 -15.564 -8.641 433 HB VAL 63 HB VAL 63 -0.878 -16.816 -6.679 434 HG11 VAL 63 HG11 VAL 63 -0.165 -14.598 -5.936 435 HG12 VAL 63 HG12 VAL 63 -1.808 -14.504 -6.571 436 HG13 VAL 63 HG13 VAL 63 -0.450 -13.941 -7.548 437 HG21 VAL 63 HG21 VAL 63 -1.826 -17.257 -8.754 438 HG22 VAL 63 HG22 VAL 63 -1.052 -15.867 -9.517 439 HG23 VAL 63 HG23 VAL 63 -2.448 -15.632 -8.464 440 H SER 64 HN SER 64 2.538 -14.432 -7.535 441 HA SER 64 HA SER 64 3.222 -15.256 -4.796 442 HB2 SER 64 HB2 SER 64 5.218 -14.668 -6.995 443 HB3 SER 64 HB1 SER 64 5.618 -14.920 -5.299 444 HG SER 64 HG SER 64 5.154 -17.006 -5.486 445 H HIS 65 HN HIS 65 4.667 -13.485 -3.778 446 HA HIS 65 HA HIS 65 4.086 -10.813 -4.848 447 HB2 HIS 65 HB2 HIS 65 3.102 -10.021 -2.815 448 HB3 HIS 65 HB1 HIS 65 2.246 -11.502 -3.242 449 HD1 HIS 65 HD1 HIS 65 3.026 -13.719 -1.938 450 HD2 HIS 65 HD2 HIS 65 4.405 -10.119 -0.351 451 HE1 HIS 65 HE1 HIS 65 3.846 -14.233 0.402 452 H GLU 66 HN GLU 66 5.367 -9.115 -3.739 453 HA GLU 66 HA GLU 66 7.911 -10.226 -2.758 454 HB2 GLU 66 HB2 GLU 66 8.063 -8.872 -4.799 455 HB3 GLU 66 HB1 GLU 66 7.274 -7.527 -3.976 456 HG2 GLU 66 HG2 GLU 66 9.111 -7.392 -2.370 457 HG3 GLU 66 HG1 GLU 66 9.893 -8.786 -3.117 458 H ALA 67 HN ALA 67 8.540 -9.841 -0.721 459 HA ALA 67 HA ALA 67 7.213 -7.672 0.779 460 HB1 ALA 67 HB1 ALA 67 6.124 -9.677 1.515 461 HB2 ALA 67 HB2 ALA 67 7.264 -9.212 2.778 462 HB3 ALA 67 HB3 ALA 67 7.664 -10.524 1.670 Start of MODEL 4 1 H MET 1 HT1 MET 1 5.513 -0.566 -1.185 2 HA MET 1 HA MET 1 3.209 -0.699 -1.581 3 HB2 MET 1 HB2 MET 1 3.995 -0.111 -4.449 4 HG2 MET 1 HG2 MET 1 2.099 1.298 -2.544 5 HE1 MET 1 HE1 MET 1 0.725 0.957 -6.003 6 HE2 MET 1 HE2 MET 1 -0.040 1.973 -4.784 7 HE3 MET 1 HE3 MET 1 0.748 0.472 -4.302 8 H THR 2 HN THR 2 2.196 -2.691 -1.993 9 HA THR 2 HA THR 2 3.968 -4.924 -2.242 10 HB THR 2 HB THR 2 0.942 -4.837 -2.219 11 HG1 THR 2 HG1 THR 2 2.775 -4.372 -0.347 12 HG21 THR 2 HG21 THR 2 2.719 -7.151 -1.461 13 HG22 THR 2 HG22 THR 2 2.171 -6.924 -3.122 14 HG23 THR 2 HG23 THR 2 0.995 -7.165 -1.830 15 H THR 3 HN THR 3 4.455 -6.136 -3.967 16 HA THR 3 HA THR 3 3.023 -5.590 -6.501 17 HB THR 3 HB THR 3 5.934 -6.304 -6.076 18 HG1 THR 3 HG1 THR 3 4.644 -4.002 -6.050 19 HG21 THR 3 HG21 THR 3 4.231 -5.980 -8.545 20 HG22 THR 3 HG22 THR 3 5.292 -7.322 -8.112 21 HG23 THR 3 HG23 THR 3 5.983 -5.771 -8.591 22 H PHE 4 HN PHE 4 2.091 -7.265 -7.479 23 HA PHE 4 HA PHE 4 2.668 -9.968 -6.446 24 HB2 PHE 4 HB2 PHE 4 0.238 -8.848 -7.864 25 HB3 PHE 4 HB1 PHE 4 0.437 -10.532 -7.395 26 HD1 PHE 4 HD1 PHE 4 -0.150 -7.111 -6.202 27 HD2 PHE 4 HD2 PHE 4 0.454 -11.199 -5.029 28 HE1 PHE 4 HE1 PHE 4 -0.961 -6.577 -3.920 29 HE2 PHE 4 HE2 PHE 4 -0.356 -10.664 -2.747 30 HZ PHE 4 HZ PHE 4 -1.063 -8.353 -2.193 31 H THR 5 HN THR 5 3.351 -11.553 -7.778 32 HA THR 5 HA THR 5 3.499 -10.956 -10.667 33 HB THR 5 HB THR 5 5.727 -11.973 -10.720 34 HG1 THR 5 HG1 THR 5 5.481 -13.324 -8.914 35 HG21 THR 5 HG21 THR 5 5.043 -9.471 -9.683 36 HG22 THR 5 HG22 THR 5 6.625 -9.951 -10.298 37 HG23 THR 5 HG23 THR 5 6.269 -10.089 -8.575 38 H SER 6 HN SER 6 3.675 -12.835 -12.035 39 HA SER 6 HA SER 6 3.124 -15.453 -10.896 40 HB2 SER 6 HB2 SER 6 0.996 -15.771 -12.014 41 HB3 SER 6 HB1 SER 6 0.890 -14.360 -10.967 42 HG SER 6 HG SER 6 1.186 -13.054 -12.770 43 H ILE 7 HN ILE 7 3.043 -17.156 -12.556 44 HA ILE 7 HA ILE 7 4.012 -16.445 -15.214 45 HB ILE 7 HB ILE 7 6.016 -16.731 -13.649 46 HG12 ILE 7 HG12 ILE 7 7.216 -18.165 -15.304 47 HG13 ILE 7 HG11 ILE 7 5.661 -18.598 -16.016 48 HG21 ILE 7 HG21 ILE 7 4.864 -18.694 -12.461 49 HG22 ILE 7 HG22 ILE 7 6.564 -18.916 -12.877 50 HG23 ILE 7 HG23 ILE 7 5.308 -19.661 -13.867 51 HD11 ILE 7 HD11 ILE 7 5.711 -15.767 -15.810 52 HD12 ILE 7 HD12 ILE 7 5.752 -16.741 -17.280 53 HD13 ILE 7 HD13 ILE 7 7.257 -16.258 -16.499 54 H VAL 8 HN VAL 8 3.875 -18.309 -16.700 55 HA VAL 8 HA VAL 8 1.768 -20.151 -15.808 56 HB VAL 8 HB VAL 8 2.788 -19.523 -18.586 57 HG11 VAL 8 HG11 VAL 8 1.634 -21.329 -19.270 58 HG12 VAL 8 HG12 VAL 8 0.177 -20.700 -18.501 59 HG13 VAL 8 HG13 VAL 8 1.281 -21.731 -17.589 60 HG21 VAL 8 HG21 VAL 8 1.496 -17.682 -18.330 61 HG22 VAL 8 HG22 VAL 8 0.847 -18.268 -16.798 62 HG23 VAL 8 HG23 VAL 8 0.112 -18.776 -18.318 63 H THR 9 HN THR 9 2.607 -21.874 -14.866 64 HA THR 9 HA THR 9 4.199 -23.724 -16.444 65 HB THR 9 HB THR 9 5.806 -22.209 -15.059 66 HG1 THR 9 HG1 THR 9 7.070 -24.031 -14.636 67 HG21 THR 9 HG21 THR 9 6.043 -23.025 -12.702 68 HG22 THR 9 HG22 THR 9 4.551 -23.947 -12.913 69 HG23 THR 9 HG23 THR 9 4.520 -22.183 -12.992 70 H THR 10 HN THR 10 4.090 -25.943 -15.438 71 HA THR 10 HA THR 10 2.008 -25.995 -13.337 72 HB THR 10 HB THR 10 0.768 -26.788 -15.103 73 HG1 THR 10 HG1 THR 10 1.703 -29.284 -14.967 74 HG21 THR 10 HG21 THR 10 2.009 -28.470 -16.755 75 HG22 THR 10 HG22 THR 10 3.431 -27.604 -16.176 76 HG23 THR 10 HG23 THR 10 2.126 -26.724 -16.970 77 H ASN 11 HN ASN 11 3.538 -26.261 -11.724 78 HA ASN 11 HA ASN 11 4.574 -28.996 -11.488 79 HB2 ASN 11 HB2 ASN 11 6.690 -27.935 -10.486 80 HB3 ASN 11 HB1 ASN 11 6.525 -27.909 -12.242 81 HD21 ASN 11 HD21 ASN 11 6.897 -25.917 -9.443 82 HD22 ASN 11 HD22 ASN 11 6.696 -24.422 -10.221 83 HA PRO 12 HA PRO 12 2.257 -27.260 -7.783 84 HB2 PRO 12 HB2 PRO 12 1.000 -29.752 -7.451 85 HB3 PRO 12 HB1 PRO 12 0.283 -28.320 -8.213 86 HG2 PRO 12 HG2 PRO 12 1.552 -30.697 -9.467 87 HG3 PRO 12 HG1 PRO 12 0.170 -29.730 -10.013 88 HD2 PRO 12 HD2 PRO 12 2.589 -29.455 -11.173 89 HD3 PRO 12 HD1 PRO 12 1.526 -28.052 -10.919 90 H ASP 13 HN ASP 13 3.578 -27.273 -6.103 91 HA ASP 13 HA ASP 13 5.003 -29.759 -5.379 92 HB2 ASP 13 HB2 ASP 13 6.471 -27.863 -5.942 93 HB3 ASP 13 HB1 ASP 13 5.692 -26.892 -4.692 94 H PHE 14 HN PHE 14 3.654 -30.765 -3.966 95 HA PHE 14 HA PHE 14 2.080 -29.405 -2.010 96 HB2 PHE 14 HB2 PHE 14 2.888 -32.293 -2.361 97 HB3 PHE 14 HB1 PHE 14 1.854 -31.747 -1.042 98 HD1 PHE 14 HD1 PHE 14 -0.389 -30.851 -1.478 99 HD2 PHE 14 HD2 PHE 14 2.107 -32.277 -4.669 100 HE1 PHE 14 HE1 PHE 14 -2.351 -30.889 -2.995 101 HE2 PHE 14 HE2 PHE 14 0.146 -32.314 -6.187 102 HZ PHE 14 HZ PHE 14 -2.082 -31.619 -5.350 103 H GLY 15 HN GLY 15 5.274 -30.851 -2.039 104 HA2 GLY 15 HA2 GLY 15 5.755 -30.979 0.724 105 HA3 GLY 15 HA1 GLY 15 6.992 -30.848 -0.518 106 H GLY 16 HN GLY 16 5.690 -28.244 -1.438 107 HA2 GLY 16 HA2 GLY 16 6.778 -26.552 0.734 108 HA3 GLY 16 HA1 GLY 16 6.977 -26.185 -0.977 109 H PHE 17 HN PHE 17 5.983 -24.108 0.022 110 HA PHE 17 HA PHE 17 3.042 -24.326 0.051 111 HB2 PHE 17 HB2 PHE 17 3.086 -22.086 1.097 112 HB3 PHE 17 HB1 PHE 17 4.000 -23.265 2.037 113 HD1 PHE 17 HD1 PHE 17 6.448 -23.210 2.106 114 HD2 PHE 17 HD2 PHE 17 4.216 -20.310 -0.143 115 HE1 PHE 17 HE1 PHE 17 8.476 -21.795 1.918 116 HE2 PHE 17 HE2 PHE 17 6.242 -18.895 -0.331 117 HZ PHE 17 HZ PHE 17 8.373 -19.637 0.700 118 H GLU 18 HN GLU 18 2.095 -23.891 -1.814 119 HA GLU 18 HA GLU 18 2.813 -21.512 -3.305 120 HB2 GLU 18 HB2 GLU 18 3.101 -24.269 -4.522 121 HB3 GLU 18 HB1 GLU 18 3.024 -22.778 -5.461 122 HG2 GLU 18 HG2 GLU 18 5.010 -21.918 -4.331 123 HG3 GLU 18 HG1 GLU 18 5.067 -23.343 -3.294 124 H PHE 19 HN PHE 19 1.062 -20.704 -4.445 125 HA PHE 19 HA PHE 19 -1.407 -22.321 -4.271 126 HB2 PHE 19 HB2 PHE 19 -1.376 -20.175 -2.972 127 HB3 PHE 19 HB1 PHE 19 -1.178 -19.312 -4.498 128 HD1 PHE 19 HD1 PHE 19 -3.451 -21.395 -2.473 129 HD2 PHE 19 HD2 PHE 19 -2.997 -19.162 -6.115 130 HE1 PHE 19 HE1 PHE 19 -5.897 -21.526 -2.859 131 HE2 PHE 19 HE2 PHE 19 -5.443 -19.295 -6.498 132 HZ PHE 19 HZ PHE 19 -6.894 -20.475 -4.872 133 H TYR 20 HN TYR 20 -2.327 -22.944 -6.126 134 HA TYR 20 HA TYR 20 -1.666 -21.450 -8.588 135 HB2 TYR 20 HB2 TYR 20 -1.786 -24.460 -8.297 136 HB3 TYR 20 HB1 TYR 20 -1.564 -23.588 -9.813 137 HD1 TYR 20 HD1 TYR 20 0.500 -22.273 -10.223 138 HD2 TYR 20 HD2 TYR 20 0.006 -24.675 -6.696 139 HE1 TYR 20 HE1 TYR 20 2.940 -22.148 -9.795 140 HE2 TYR 20 HE2 TYR 20 2.444 -24.548 -6.268 141 HH TYR 20 HH TYR 20 4.623 -22.871 -8.533 142 H VAL 21 HN VAL 21 -3.319 -21.175 -10.041 143 HA VAL 21 HA VAL 21 -5.991 -21.937 -9.093 144 HB VAL 21 HB VAL 21 -5.116 -20.015 -11.267 145 HG11 VAL 21 HG11 VAL 21 -7.862 -20.639 -10.136 146 HG12 VAL 21 HG12 VAL 21 -7.301 -21.023 -11.763 147 HG13 VAL 21 HG13 VAL 21 -7.504 -19.341 -11.274 148 HG21 VAL 21 HG21 VAL 21 -4.623 -19.249 -8.964 149 HG22 VAL 21 HG22 VAL 21 -6.302 -19.554 -8.510 150 HG23 VAL 21 HG23 VAL 21 -5.921 -18.294 -9.687 151 H GLU 22 HN GLU 22 -6.978 -23.653 -9.941 152 HA GLU 22 HA GLU 22 -5.889 -25.120 -12.130 153 HB2 GLU 22 HB2 GLU 22 -8.529 -25.297 -10.665 154 HB3 GLU 22 HB1 GLU 22 -8.051 -26.419 -11.939 155 HG2 GLU 22 HG2 GLU 22 -6.118 -27.128 -10.680 156 HG3 GLU 22 HG1 GLU 22 -6.395 -25.886 -9.461 157 H ALA 23 HN ALA 23 -6.510 -25.203 -14.264 158 HA ALA 23 HA ALA 23 -7.478 -22.967 -15.540 159 HB1 ALA 23 HB1 ALA 23 -7.624 -24.255 -17.490 160 HB2 ALA 23 HB2 ALA 23 -8.137 -25.698 -16.613 161 HB3 ALA 23 HB3 ALA 23 -6.461 -25.159 -16.520 162 H GLY 24 HN GLY 24 -9.392 -22.007 -15.688 163 HA2 GLY 24 HA2 GLY 24 -11.691 -21.706 -15.725 164 HA3 GLY 24 HA1 GLY 24 -11.877 -23.459 -15.705 165 H GLN 25 HN GLN 25 -9.824 -22.262 -13.261 166 HA GLN 25 HA GLN 25 -11.966 -22.650 -11.264 167 HB2 GLN 25 HB2 GLN 25 -10.014 -24.207 -11.167 168 HB3 GLN 25 HB1 GLN 25 -8.971 -22.818 -10.862 169 HG2 GLN 25 HG2 GLN 25 -9.599 -23.879 -8.741 170 HG3 GLN 25 HG1 GLN 25 -10.312 -22.270 -8.851 171 HE21 GLN 25 HE21 GLN 25 -12.420 -22.311 -8.076 172 HE22 GLN 25 HE22 GLN 25 -13.524 -23.578 -8.317 173 H GLN 26 HN GLN 26 -12.535 -21.009 -9.964 174 HA GLN 26 HA GLN 26 -11.463 -18.392 -10.453 175 HB2 GLN 26 HB2 GLN 26 -13.845 -18.741 -9.938 176 HB3 GLN 26 HB1 GLN 26 -13.409 -19.329 -8.333 177 HG2 GLN 26 HG2 GLN 26 -12.399 -17.173 -7.781 178 HG3 GLN 26 HG1 GLN 26 -12.731 -16.577 -9.406 179 HE21 GLN 26 HE21 GLN 26 -14.163 -14.876 -8.600 180 HE22 GLN 26 HE22 GLN 26 -15.696 -15.243 -7.972 181 H PHE 27 HN PHE 27 -9.787 -17.498 -9.521 182 HA PHE 27 HA PHE 27 -8.171 -18.721 -7.580 183 HB2 PHE 27 HB2 PHE 27 -7.262 -17.023 -9.036 184 HB3 PHE 27 HB1 PHE 27 -8.400 -15.823 -8.419 185 HD1 PHE 27 HD1 PHE 27 -5.553 -18.023 -7.440 186 HD2 PHE 27 HD2 PHE 27 -7.930 -14.587 -6.455 187 HE1 PHE 27 HE1 PHE 27 -3.963 -17.445 -5.625 188 HE2 PHE 27 HE2 PHE 27 -6.342 -14.007 -4.639 189 HZ PHE 27 HZ PHE 27 -4.358 -15.437 -4.225 190 H ASP 28 HN ASP 28 -8.474 -18.989 -5.470 191 HA ASP 28 HA ASP 28 -10.560 -17.465 -4.103 192 HB2 ASP 28 HB2 ASP 28 -10.471 -19.913 -3.820 193 HB3 ASP 28 HB1 ASP 28 -8.853 -19.771 -3.135 194 H ASP 29 HN ASP 29 -9.847 -15.479 -3.533 195 HA ASP 29 HA ASP 29 -7.169 -14.949 -2.676 196 HB2 ASP 29 HB2 ASP 29 -8.030 -12.711 -2.141 197 HB3 ASP 29 HB1 ASP 29 -8.557 -13.224 -3.743 198 H SER 30 HN SER 30 -9.933 -16.218 -1.128 199 HA SER 30 HA SER 30 -9.582 -15.226 1.494 200 HB2 SER 30 HB2 SER 30 -11.632 -16.367 0.795 201 HB3 SER 30 HB1 SER 30 -10.736 -17.865 0.563 202 HG SER 30 HG SER 30 -11.807 -17.688 2.624 203 H ALA 31 HN ALA 31 -8.382 -18.182 -0.088 204 HA ALA 31 HA ALA 31 -7.012 -19.214 2.155 205 HB1 ALA 31 HB1 ALA 31 -5.677 -20.451 0.344 206 HB2 ALA 31 HB2 ALA 31 -6.728 -19.634 -0.814 207 HB3 ALA 31 HB3 ALA 31 -7.419 -20.722 0.388 208 H TYR 32 HN TYR 32 -6.009 -17.043 -0.440 209 HA TYR 32 HA TYR 32 -3.256 -17.001 0.079 210 HB2 TYR 32 HB2 TYR 32 -4.256 -16.065 -1.957 211 HB3 TYR 32 HB1 TYR 32 -5.000 -14.780 -1.003 212 HD1 TYR 32 HD1 TYR 32 -3.732 -12.888 -0.251 213 HD2 TYR 32 HD2 TYR 32 -1.763 -16.228 -2.098 214 HE1 TYR 32 HE1 TYR 32 -1.637 -11.568 -0.407 215 HE2 TYR 32 HE2 TYR 32 0.331 -14.912 -2.252 216 HH TYR 32 HH TYR 32 1.028 -12.568 -2.295 217 H GLU 33 HN GLU 33 -5.819 -14.844 1.321 218 HA GLU 33 HA GLU 33 -4.013 -13.270 2.880 219 HB2 GLU 33 HB2 GLU 33 -5.940 -12.210 3.788 220 HB3 GLU 33 HB1 GLU 33 -6.337 -12.580 2.110 221 HG2 GLU 33 HG2 GLU 33 -8.224 -13.434 3.105 222 HG3 GLU 33 HG1 GLU 33 -7.189 -14.854 3.225 223 H GLU 34 HN GLU 34 -5.833 -16.206 3.477 224 HA GLU 34 HA GLU 34 -5.656 -16.245 6.297 225 HB2 GLU 34 HB2 GLU 34 -5.830 -18.486 4.281 226 HB3 GLU 34 HB1 GLU 34 -5.902 -18.740 6.026 227 HG2 GLU 34 HG2 GLU 34 -7.724 -16.837 4.560 228 HG3 GLU 34 HG1 GLU 34 -8.146 -18.517 4.879 229 H ALA 35 HN ALA 35 -3.462 -17.485 3.787 230 HA ALA 35 HA ALA 35 -1.617 -18.413 5.823 231 HB1 ALA 35 HB1 ALA 35 -1.682 -18.546 2.819 232 HB2 ALA 35 HB2 ALA 35 -1.683 -19.872 3.983 233 HB3 ALA 35 HB3 ALA 35 -0.211 -18.939 3.711 234 H TYR 36 HN TYR 36 -1.695 -16.013 3.217 235 HA TYR 36 HA TYR 36 0.859 -14.886 3.889 236 HB2 TYR 36 HB2 TYR 36 -1.387 -13.959 2.095 237 HB3 TYR 36 HB1 TYR 36 0.110 -13.052 2.308 238 HD1 TYR 36 HD1 TYR 36 -1.448 -15.991 0.801 239 HD2 TYR 36 HD2 TYR 36 2.292 -14.055 1.645 240 HE1 TYR 36 HE1 TYR 36 -0.316 -17.458 -0.848 241 HE2 TYR 36 HE2 TYR 36 3.423 -15.519 -0.005 242 HH TYR 36 HH TYR 36 1.716 -18.183 -1.569 243 H GLY 37 HN GLY 37 -2.442 -14.325 4.839 244 HA2 GLY 37 HA2 GLY 37 -3.239 -13.103 6.647 245 HA3 GLY 37 HA1 GLY 37 -1.591 -12.572 6.969 246 H VAL 38 HN VAL 38 -2.577 -12.143 3.736 247 HA VAL 38 HA VAL 38 -3.396 -9.356 4.255 248 HB VAL 38 HB VAL 38 -1.978 -8.619 2.355 249 HG11 VAL 38 HG11 VAL 38 -0.923 -9.785 4.884 250 HG12 VAL 38 HG12 VAL 38 -0.848 -8.123 4.293 251 HG13 VAL 38 HG13 VAL 38 0.267 -9.337 3.661 252 HG21 VAL 38 HG21 VAL 38 -0.060 -10.608 2.151 253 HG22 VAL 38 HG22 VAL 38 -1.317 -10.281 0.959 254 HG23 VAL 38 HG23 VAL 38 -1.568 -11.522 2.187 255 H SER 39 HN SER 39 -4.967 -8.589 2.964 256 HA SER 39 HA SER 39 -6.533 -10.405 1.447 257 HB2 SER 39 HB2 SER 39 -7.945 -8.511 0.960 258 HB3 SER 39 HB1 SER 39 -7.405 -8.379 2.632 259 HG SER 39 HG SER 39 -6.267 -6.667 2.126 260 H VAL 40 HN VAL 40 -6.976 -10.437 -0.783 261 HA VAL 40 HA VAL 40 -4.724 -9.517 -2.454 262 HB VAL 40 HB VAL 40 -6.815 -11.632 -3.018 263 HG11 VAL 40 HG11 VAL 40 -5.859 -10.455 -5.014 264 HG12 VAL 40 HG12 VAL 40 -5.451 -12.170 -4.954 265 HG13 VAL 40 HG13 VAL 40 -4.253 -10.962 -4.490 266 HG21 VAL 40 HG21 VAL 40 -5.525 -12.893 -1.648 267 HG22 VAL 40 HG22 VAL 40 -4.267 -11.657 -1.575 268 HG23 VAL 40 HG23 VAL 40 -4.296 -12.809 -2.911 269 HA PRO 41 HA PRO 41 -7.499 -6.324 -3.908 270 HB2 PRO 41 HB2 PRO 41 -5.500 -6.321 -6.134 271 HB3 PRO 41 HB1 PRO 41 -6.111 -4.965 -5.165 272 HG2 PRO 41 HG2 PRO 41 -3.694 -5.919 -4.730 273 HG3 PRO 41 HG1 PRO 41 -4.733 -5.457 -3.369 274 HD2 PRO 41 HD2 PRO 41 -4.085 -8.207 -4.392 275 HD3 PRO 41 HD1 PRO 41 -4.278 -7.645 -2.715 276 H SER 42 HN SER 42 -9.250 -6.392 -5.229 277 HA SER 42 HA SER 42 -9.961 -8.694 -6.633 278 HB2 SER 42 HB2 SER 42 -11.605 -7.082 -5.804 279 HB3 SER 42 HB1 SER 42 -11.023 -5.878 -6.950 280 HG SER 42 HG SER 42 -11.763 -7.126 -8.616 281 H ALA 43 HN ALA 43 -8.553 -5.654 -7.832 282 HA ALA 43 HA ALA 43 -8.817 -6.185 -10.576 283 HB1 ALA 43 HB1 ALA 43 -8.177 -3.984 -9.905 284 HB2 ALA 43 HB2 ALA 43 -6.806 -4.648 -10.793 285 HB3 ALA 43 HB3 ALA 43 -6.770 -4.588 -9.030 286 H VAL 44 HN VAL 44 -6.251 -7.058 -8.276 287 HA VAL 44 HA VAL 44 -4.525 -8.265 -10.185 288 HB VAL 44 HB VAL 44 -4.825 -8.655 -7.201 289 HG11 VAL 44 HG11 VAL 44 -2.449 -9.640 -7.517 290 HG12 VAL 44 HG12 VAL 44 -2.916 -9.858 -9.204 291 HG13 VAL 44 HG13 VAL 44 -3.823 -10.669 -7.928 292 HG21 VAL 44 HG21 VAL 44 -3.443 -6.872 -7.019 293 HG22 VAL 44 HG22 VAL 44 -3.772 -6.562 -8.723 294 HG23 VAL 44 HG23 VAL 44 -2.357 -7.506 -8.256 295 H VAL 45 HN VAL 45 -7.064 -9.512 -8.067 296 HA VAL 45 HA VAL 45 -6.789 -12.251 -8.696 297 HB VAL 45 HB VAL 45 -9.155 -10.641 -7.718 298 HG11 VAL 45 HG11 VAL 45 -9.587 -13.267 -7.000 299 HG12 VAL 45 HG12 VAL 45 -8.942 -13.428 -8.634 300 HG13 VAL 45 HG13 VAL 45 -10.379 -12.446 -8.345 301 HG21 VAL 45 HG21 VAL 45 -8.037 -10.778 -5.765 302 HG22 VAL 45 HG22 VAL 45 -6.775 -11.753 -6.515 303 HG23 VAL 45 HG23 VAL 45 -8.206 -12.531 -5.841 304 H GLU 46 HN GLU 46 -8.757 -9.671 -10.199 305 HA GLU 46 HA GLU 46 -10.253 -11.346 -11.897 306 HB2 GLU 46 HB2 GLU 46 -9.365 -8.469 -12.183 307 HB3 GLU 46 HB1 GLU 46 -10.455 -9.263 -13.321 308 HG2 GLU 46 HG2 GLU 46 -12.068 -9.698 -11.565 309 HG3 GLU 46 HG1 GLU 46 -10.954 -9.096 -10.338 310 H GLU 47 HN GLU 47 -7.148 -9.650 -12.441 311 HA GLU 47 HA GLU 47 -6.772 -10.516 -15.085 312 HB2 GLU 47 HB2 GLU 47 -4.786 -9.788 -12.924 313 HB3 GLU 47 HB1 GLU 47 -4.325 -10.118 -14.593 314 HG2 GLU 47 HG2 GLU 47 -6.274 -7.978 -13.686 315 HG3 GLU 47 HG1 GLU 47 -4.624 -7.700 -14.241 316 H MET 48 HN MET 48 -5.879 -11.987 -11.983 317 HA MET 48 HA MET 48 -4.477 -14.203 -13.075 318 HB2 MET 48 HB2 MET 48 -5.909 -13.817 -10.437 319 HB3 MET 48 HB1 MET 48 -4.955 -15.248 -10.830 320 HG2 MET 48 HG2 MET 48 -3.911 -12.401 -10.859 321 HG3 MET 48 HG1 MET 48 -3.627 -13.569 -9.570 322 HE1 MET 48 HE1 MET 48 -1.539 -11.999 -10.870 323 HE2 MET 48 HE2 MET 48 -0.278 -13.021 -11.558 324 HE3 MET 48 HE3 MET 48 -0.847 -13.320 -9.918 325 H ASN 49 HN ASN 49 -7.841 -13.603 -12.202 326 HA ASN 49 HA ASN 49 -8.847 -16.211 -12.627 327 HB2 ASN 49 HB2 ASN 49 -10.158 -13.489 -12.844 328 HB3 ASN 49 HB1 ASN 49 -11.039 -15.013 -12.936 329 HD21 ASN 49 HD21 ASN 49 -10.276 -16.568 -10.945 330 HD22 ASN 49 HD22 ASN 49 -10.295 -15.791 -9.435 331 H ALA 50 HN ALA 50 -8.431 -13.420 -14.737 332 HA ALA 50 HA ALA 50 -9.715 -14.470 -17.029 333 HB1 ALA 50 HB1 ALA 50 -8.043 -12.169 -16.373 334 HB2 ALA 50 HB2 ALA 50 -9.366 -12.304 -17.531 335 HB3 ALA 50 HB3 ALA 50 -7.735 -12.788 -17.996 336 H LYS 51 HN LYS 51 -6.344 -14.559 -15.939 337 HA LYS 51 HA LYS 51 -5.268 -15.801 -18.230 338 HB2 LYS 51 HB2 LYS 51 -4.368 -15.752 -15.349 339 HB3 LYS 51 HB1 LYS 51 -3.424 -16.495 -16.642 340 HG2 LYS 51 HG2 LYS 51 -3.491 -14.322 -17.878 341 HG3 LYS 51 HG1 LYS 51 -4.305 -13.597 -16.490 342 HD2 LYS 51 HD2 LYS 51 -1.620 -14.985 -16.302 343 HD3 LYS 51 HD1 LYS 51 -1.799 -13.245 -16.537 344 HE2 LYS 51 HE2 LYS 51 -3.148 -13.127 -14.453 345 HE3 LYS 51 HE1 LYS 51 -2.882 -14.852 -14.204 346 HZ1 LYS 51 HZ1 LYS 51 -0.957 -14.377 -13.257 347 HZ2 LYS 51 HZ2 LYS 51 -1.201 -12.717 -13.522 348 HZ3 LYS 51 HZ3 LYS 51 -0.408 -13.660 -14.691 349 H ALA 52 HN ALA 52 -6.646 -17.157 -15.243 350 HA ALA 52 HA ALA 52 -6.000 -19.851 -15.724 351 HB1 ALA 52 HB1 ALA 52 -8.565 -19.514 -14.404 352 HB2 ALA 52 HB2 ALA 52 -7.354 -18.410 -13.755 353 HB3 ALA 52 HB3 ALA 52 -7.049 -20.147 -13.761 354 H ALA 53 HN ALA 53 -8.688 -17.847 -16.778 355 HA ALA 53 HA ALA 53 -10.350 -19.871 -17.822 356 HB1 ALA 53 HB1 ALA 53 -11.481 -18.113 -18.997 357 HB2 ALA 53 HB2 ALA 53 -10.069 -17.061 -18.900 358 HB3 ALA 53 HB3 ALA 53 -10.976 -17.455 -17.440 359 H GLN 54 HN GLN 54 -7.599 -18.138 -19.160 360 HA GLN 54 HA GLN 54 -7.930 -19.332 -21.791 361 HB2 GLN 54 HB2 GLN 54 -6.147 -17.292 -20.567 362 HB3 GLN 54 HB1 GLN 54 -5.511 -18.193 -21.945 363 HG2 GLN 54 HG2 GLN 54 -6.648 -16.195 -22.756 364 HG3 GLN 54 HG1 GLN 54 -7.571 -17.621 -23.226 365 HE21 GLN 54 HE21 GLN 54 -7.402 -15.505 -20.292 366 HE22 GLN 54 HE22 GLN 54 -9.085 -15.357 -20.136 367 H LEU 55 HN LEU 55 -6.377 -20.107 -18.829 368 HA LEU 55 HA LEU 55 -4.216 -21.646 -19.880 369 HB2 LEU 55 HB2 LEU 55 -5.573 -21.587 -17.187 370 HB3 LEU 55 HB1 LEU 55 -4.222 -22.660 -17.547 371 HG LEU 55 HG LEU 55 -4.111 -19.668 -17.982 372 HD11 LEU 55 HD11 LEU 55 -3.924 -21.239 -15.525 373 HD12 LEU 55 HD12 LEU 55 -4.012 -19.489 -15.729 374 HD13 LEU 55 HD13 LEU 55 -2.457 -20.313 -15.838 375 HD21 LEU 55 HD21 LEU 55 -1.651 -21.155 -17.448 376 HD22 LEU 55 HD22 LEU 55 -2.025 -20.049 -18.770 377 HD23 LEU 55 HD23 LEU 55 -2.496 -21.746 -18.880 378 H LYS 56 HN LYS 56 -4.074 -23.718 -20.438 379 HA LYS 56 HA LYS 56 -6.561 -25.243 -20.703 380 HB2 LYS 56 HB2 LYS 56 -3.791 -25.742 -21.821 381 HB3 LYS 56 HB1 LYS 56 -5.221 -26.715 -22.168 382 HG2 LYS 56 HG2 LYS 56 -6.349 -24.689 -23.069 383 HG3 LYS 56 HG1 LYS 56 -4.869 -23.770 -22.796 384 HD2 LYS 56 HD2 LYS 56 -5.046 -26.248 -24.537 385 HD3 LYS 56 HD1 LYS 56 -5.088 -24.594 -25.151 386 HE2 LYS 56 HE2 LYS 56 -2.826 -25.778 -23.514 387 HE3 LYS 56 HE1 LYS 56 -2.805 -25.573 -25.266 388 HZ1 LYS 56 HZ1 LYS 56 -2.576 -23.344 -25.099 389 HZ2 LYS 56 HZ2 LYS 56 -1.862 -23.752 -23.612 390 HZ3 LYS 56 HZ3 LYS 56 -3.478 -23.229 -23.668 391 H ASP 57 HN ASP 57 -6.266 -27.704 -20.394 392 HA ASP 57 HA ASP 57 -5.752 -28.218 -17.673 393 HB2 ASP 57 HB2 ASP 57 -6.037 -30.048 -20.059 394 HB3 ASP 57 HB1 ASP 57 -5.841 -30.648 -18.412 395 H GLY 58 HN GLY 58 -4.066 -29.383 -16.658 396 HA2 GLY 58 HA2 GLY 58 -1.924 -30.246 -16.398 397 HA3 GLY 58 HA1 GLY 58 -1.687 -30.106 -18.138 398 H GLU 59 HN GLU 59 -2.887 -27.289 -16.640 399 HA GLU 59 HA GLU 59 -0.174 -26.122 -16.519 400 HB2 GLU 59 HB2 GLU 59 -2.683 -24.912 -17.691 401 HB3 GLU 59 HB1 GLU 59 -1.209 -23.998 -17.361 402 HG2 GLU 59 HG2 GLU 59 0.067 -25.446 -18.856 403 HG3 GLU 59 HG1 GLU 59 -1.357 -26.447 -19.141 404 H TRP 60 HN TRP 60 0.204 -24.607 -14.911 405 HA TRP 60 HA TRP 60 -1.994 -24.111 -13.007 406 HB2 TRP 60 HB2 TRP 60 0.836 -24.956 -12.348 407 HB3 TRP 60 HB1 TRP 60 -0.298 -24.313 -11.165 408 HD1 TRP 60 HD1 TRP 60 0.543 -27.417 -13.123 409 HE1 TRP 60 HE1 TRP 60 -0.996 -29.346 -12.380 410 HE3 TRP 60 HE3 TRP 60 -2.777 -24.828 -10.244 411 HZ2 TRP 60 HZ2 TRP 60 -3.326 -29.740 -10.771 412 HZ3 TRP 60 HZ3 TRP 60 -4.645 -26.003 -9.112 413 HH2 TRP 60 HH2 TRP 60 -4.924 -28.453 -9.374 414 H LEU 61 HN LEU 61 -2.045 -22.075 -12.143 415 HA LEU 61 HA LEU 61 -0.157 -20.134 -13.293 416 HB2 LEU 61 HB2 LEU 61 -2.582 -19.720 -13.593 417 HB3 LEU 61 HB1 LEU 61 -2.782 -19.693 -11.840 418 HG LEU 61 HG LEU 61 -1.208 -17.799 -11.688 419 HD11 LEU 61 HD11 LEU 61 -0.580 -18.659 -14.346 420 HD12 LEU 61 HD12 LEU 61 0.213 -17.406 -13.389 421 HD13 LEU 61 HD13 LEU 61 -1.152 -16.990 -14.427 422 HD21 LEU 61 HD21 LEU 61 -3.474 -17.435 -13.679 423 HD22 LEU 61 HD22 LEU 61 -2.653 -16.113 -12.848 424 HD23 LEU 61 HD23 LEU 61 -3.589 -17.288 -11.925 425 H ASN 62 HN ASN 62 1.223 -18.934 -11.994 426 HA ASN 62 HA ASN 62 1.273 -19.721 -9.157 427 HB2 ASN 62 HB2 ASN 62 3.319 -20.205 -10.405 428 HB3 ASN 62 HB1 ASN 62 3.435 -18.517 -10.899 429 HD21 ASN 62 HD21 ASN 62 3.580 -20.663 -8.044 430 HD22 ASN 62 HD22 ASN 62 4.437 -19.571 -7.070 431 H VAL 63 HN VAL 63 0.749 -18.292 -7.640 432 HA VAL 63 HA VAL 63 0.678 -15.427 -8.375 433 HB VAL 63 HB VAL 63 -1.067 -16.933 -6.407 434 HG11 VAL 63 HG11 VAL 63 -1.018 -14.826 -5.469 435 HG12 VAL 63 HG12 VAL 63 -2.266 -14.557 -6.684 436 HG13 VAL 63 HG13 VAL 63 -0.608 -14.040 -6.993 437 HG21 VAL 63 HG21 VAL 63 -1.644 -15.664 -9.104 438 HG22 VAL 63 HG22 VAL 63 -2.871 -16.317 -8.019 439 HG23 VAL 63 HG23 VAL 63 -1.670 -17.390 -8.737 440 H SER 64 HN SER 64 1.990 -14.124 -7.227 441 HA SER 64 HA SER 64 2.660 -14.734 -4.469 442 HB2 SER 64 HB2 SER 64 5.058 -14.777 -4.822 443 HB3 SER 64 HB1 SER 64 4.322 -16.029 -5.819 444 HG SER 64 HG SER 64 4.711 -14.866 -7.590 445 H HIS 65 HN HIS 65 4.246 -12.953 -3.659 446 HA HIS 65 HA HIS 65 3.865 -10.422 -5.097 447 HB2 HIS 65 HB2 HIS 65 2.951 -9.295 -3.181 448 HB3 HIS 65 HB1 HIS 65 1.971 -10.736 -3.458 449 HD1 HIS 65 HD1 HIS 65 2.573 -12.861 -1.913 450 HD2 HIS 65 HD2 HIS 65 4.178 -9.217 -0.678 451 HE1 HIS 65 HE1 HIS 65 3.312 -13.179 0.488 452 H GLU 66 HN GLU 66 5.231 -8.670 -4.197 453 HA GLU 66 HA GLU 66 7.707 -9.786 -3.063 454 HB2 GLU 66 HB2 GLU 66 7.919 -8.680 -5.258 455 HB3 GLU 66 HB1 GLU 66 7.252 -7.200 -4.568 456 HG2 GLU 66 HG2 GLU 66 9.121 -7.075 -2.979 457 HG3 GLU 66 HG1 GLU 66 9.779 -8.581 -3.617 458 H ALA 67 HN ALA 67 8.412 -9.130 -1.106 459 HA ALA 67 HA ALA 67 7.272 -6.699 0.087 460 HB1 ALA 67 HB1 ALA 67 5.859 -8.504 0.915 461 HB2 ALA 67 HB2 ALA 67 6.884 -7.910 2.220 462 HB3 ALA 67 HB3 ALA 67 7.280 -9.424 1.408 Start of MODEL 5 1 H MET 1 HT1 MET 1 3.838 -1.179 -0.418 2 HA MET 1 HA MET 1 1.483 -1.424 -1.404 3 HB2 MET 1 HB2 MET 1 3.003 -0.077 -3.658 4 HG2 MET 1 HG2 MET 1 2.195 1.563 -2.039 5 HE1 MET 1 HE1 MET 1 -0.705 -1.039 -3.150 6 HE2 MET 1 HE2 MET 1 -0.906 0.574 -3.830 7 HE3 MET 1 HE3 MET 1 -2.051 -0.015 -2.628 8 H THR 2 HN THR 2 1.604 -3.541 -1.500 9 HA THR 2 HA THR 2 3.997 -4.935 -2.240 10 HB THR 2 HB THR 2 2.659 -6.948 -1.856 11 HG1 THR 2 HG1 THR 2 0.456 -6.654 -1.282 12 HG21 THR 2 HG21 THR 2 3.343 -6.364 0.228 13 HG22 THR 2 HG22 THR 2 1.638 -5.979 0.468 14 HG23 THR 2 HG23 THR 2 2.781 -4.701 0.049 15 H THR 3 HN THR 3 4.264 -6.390 -3.957 16 HA THR 3 HA THR 3 2.521 -5.864 -6.295 17 HB THR 3 HB THR 3 4.477 -6.050 -7.703 18 HG1 THR 3 HG1 THR 3 6.539 -6.202 -6.356 19 HG21 THR 3 HG21 THR 3 5.642 -4.394 -5.536 20 HG22 THR 3 HG22 THR 3 4.017 -3.956 -6.065 21 HG23 THR 3 HG23 THR 3 5.345 -3.987 -7.226 22 H PHE 4 HN PHE 4 2.011 -7.639 -7.606 23 HA PHE 4 HA PHE 4 2.669 -10.257 -6.417 24 HB2 PHE 4 HB2 PHE 4 0.198 -9.293 -7.863 25 HB3 PHE 4 HB1 PHE 4 0.508 -10.984 -7.483 26 HD1 PHE 4 HD1 PHE 4 -0.093 -7.622 -6.015 27 HD2 PHE 4 HD2 PHE 4 0.321 -11.829 -5.239 28 HE1 PHE 4 HE1 PHE 4 -0.964 -7.286 -3.723 29 HE2 PHE 4 HE2 PHE 4 -0.550 -11.487 -2.944 30 HZ PHE 4 HZ PHE 4 -1.192 -9.217 -2.185 31 H THR 5 HN THR 5 3.508 -11.821 -7.693 32 HA THR 5 HA THR 5 3.833 -11.202 -10.568 33 HB THR 5 HB THR 5 5.807 -12.582 -8.734 34 HG1 THR 5 HG1 THR 5 5.454 -9.996 -9.659 35 HG21 THR 5 HG21 THR 5 7.066 -13.099 -10.576 36 HG22 THR 5 HG22 THR 5 6.513 -11.688 -11.477 37 HG23 THR 5 HG23 THR 5 5.485 -13.115 -11.356 38 H SER 6 HN SER 6 3.232 -12.748 -11.973 39 HA SER 6 HA SER 6 2.904 -15.509 -11.018 40 HB2 SER 6 HB2 SER 6 0.698 -14.483 -10.780 41 HB3 SER 6 HB1 SER 6 0.763 -13.913 -12.445 42 HG SER 6 HG SER 6 -0.392 -15.885 -12.230 43 H ILE 7 HN ILE 7 3.163 -17.082 -12.615 44 HA ILE 7 HA ILE 7 3.684 -16.195 -15.363 45 HB ILE 7 HB ILE 7 5.529 -17.948 -13.715 46 HG12 ILE 7 HG12 ILE 7 6.072 -15.280 -15.046 47 HG13 ILE 7 HG11 ILE 7 5.641 -15.442 -13.342 48 HG21 ILE 7 HG21 ILE 7 5.376 -18.746 -16.016 49 HG22 ILE 7 HG22 ILE 7 6.921 -17.925 -15.788 50 HG23 ILE 7 HG23 ILE 7 5.604 -17.108 -16.627 51 HD11 ILE 7 HD11 ILE 7 7.732 -17.316 -13.969 52 HD12 ILE 7 HD12 ILE 7 7.763 -15.977 -12.821 53 HD13 ILE 7 HD13 ILE 7 8.215 -15.707 -14.504 54 H VAL 8 HN VAL 8 3.254 -17.888 -16.932 55 HA VAL 8 HA VAL 8 1.435 -19.903 -15.878 56 HB VAL 8 HB VAL 8 2.232 -19.221 -18.717 57 HG11 VAL 8 HG11 VAL 8 0.880 -21.498 -17.608 58 HG12 VAL 8 HG12 VAL 8 1.193 -21.129 -19.304 59 HG13 VAL 8 HG13 VAL 8 -0.280 -20.543 -18.531 60 HG21 VAL 8 HG21 VAL 8 -0.503 -18.698 -18.095 61 HG22 VAL 8 HG22 VAL 8 0.753 -17.534 -18.516 62 HG23 VAL 8 HG23 VAL 8 0.480 -17.965 -16.828 63 H THR 9 HN THR 9 2.426 -21.580 -14.997 64 HA THR 9 HA THR 9 4.011 -23.342 -16.680 65 HB THR 9 HB THR 9 5.660 -21.786 -15.489 66 HG1 THR 9 HG1 THR 9 6.754 -23.522 -15.914 67 HG21 THR 9 HG21 THR 9 4.362 -21.646 -13.375 68 HG22 THR 9 HG22 THR 9 6.011 -22.205 -13.099 69 HG23 THR 9 HG23 THR 9 4.675 -23.359 -13.089 70 H THR 10 HN THR 10 4.037 -25.564 -15.742 71 HA THR 10 HA THR 10 2.163 -25.761 -13.461 72 HB THR 10 HB THR 10 0.786 -26.482 -15.175 73 HG1 THR 10 HG1 THR 10 0.836 -28.779 -15.086 74 HG21 THR 10 HG21 THR 10 2.151 -28.258 -16.815 75 HG22 THR 10 HG22 THR 10 3.346 -27.004 -16.489 76 HG23 THR 10 HG23 THR 10 1.789 -26.574 -17.197 77 H ASN 11 HN ASN 11 3.848 -26.091 -11.999 78 HA ASN 11 HA ASN 11 4.702 -28.843 -11.786 79 HB2 ASN 11 HB2 ASN 11 6.366 -27.326 -13.274 80 HB3 ASN 11 HB1 ASN 11 7.000 -26.981 -11.665 81 HD21 ASN 11 HD21 ASN 11 6.606 -29.467 -14.101 82 HD22 ASN 11 HD22 ASN 11 7.526 -30.656 -13.311 83 HA PRO 12 HA PRO 12 4.373 -26.095 -7.938 84 HB2 PRO 12 HB2 PRO 12 1.909 -26.877 -7.063 85 HB3 PRO 12 HB1 PRO 12 2.157 -25.509 -8.165 86 HG2 PRO 12 HG2 PRO 12 1.280 -28.287 -8.768 87 HG3 PRO 12 HG1 PRO 12 0.726 -26.752 -9.457 88 HD2 PRO 12 HD2 PRO 12 2.498 -28.421 -10.733 89 HD3 PRO 12 HD1 PRO 12 2.450 -26.667 -10.992 90 H ASP 13 HN ASP 13 5.788 -27.182 -6.660 91 HA ASP 13 HA ASP 13 5.547 -29.988 -6.083 92 HB2 ASP 13 HB2 ASP 13 7.344 -27.803 -5.030 93 HB3 ASP 13 HB1 ASP 13 7.433 -29.469 -4.464 94 H PHE 14 HN PHE 14 5.110 -30.940 -4.052 95 HA PHE 14 HA PHE 14 3.300 -29.336 -2.378 96 HB2 PHE 14 HB2 PHE 14 3.735 -32.328 -2.552 97 HB3 PHE 14 HB1 PHE 14 2.587 -31.538 -1.472 98 HD1 PHE 14 HD1 PHE 14 0.627 -30.331 -2.374 99 HD2 PHE 14 HD2 PHE 14 3.324 -32.481 -4.932 100 HE1 PHE 14 HE1 PHE 14 -1.042 -30.243 -4.207 101 HE2 PHE 14 HE2 PHE 14 1.656 -32.394 -6.766 102 HZ PHE 14 HZ PHE 14 -0.527 -31.276 -6.403 103 H GLY 15 HN GLY 15 6.447 -29.744 -2.425 104 HA2 GLY 15 HA2 GLY 15 6.871 -30.571 0.349 105 HA3 GLY 15 HA1 GLY 15 8.123 -30.209 -0.835 106 H GLY 16 HN GLY 16 5.851 -27.823 -1.066 107 HA2 GLY 16 HA2 GLY 16 6.891 -26.161 1.114 108 HA3 GLY 16 HA1 GLY 16 7.209 -25.620 -0.533 109 H PHE 17 HN PHE 17 5.887 -23.780 0.608 110 HA PHE 17 HA PHE 17 3.000 -24.281 0.341 111 HB2 PHE 17 HB2 PHE 17 2.707 -22.177 1.552 112 HB3 PHE 17 HB1 PHE 17 3.782 -23.247 2.451 113 HD1 PHE 17 HD1 PHE 17 3.545 -20.163 0.466 114 HD2 PHE 17 HD2 PHE 17 6.196 -22.809 2.568 115 HE1 PHE 17 HE1 PHE 17 5.319 -18.431 0.409 116 HE2 PHE 17 HE2 PHE 17 7.970 -21.077 2.512 117 HZ PHE 17 HZ PHE 17 7.532 -18.889 1.432 118 H GLU 18 HN GLU 18 2.094 -23.778 -1.523 119 HA GLU 18 HA GLU 18 2.680 -21.267 -2.833 120 HB2 GLU 18 HB2 GLU 18 3.190 -23.884 -4.266 121 HB3 GLU 18 HB1 GLU 18 3.206 -22.286 -5.015 122 HG2 GLU 18 HG2 GLU 18 5.004 -23.127 -2.722 123 HG3 GLU 18 HG1 GLU 18 5.491 -23.117 -4.416 124 H PHE 19 HN PHE 19 0.931 -20.562 -4.076 125 HA PHE 19 HA PHE 19 -1.378 -22.407 -4.109 126 HB2 PHE 19 HB2 PHE 19 -1.648 -20.388 -2.671 127 HB3 PHE 19 HB1 PHE 19 -1.420 -19.382 -4.102 128 HD1 PHE 19 HD1 PHE 19 -3.145 -19.182 -5.792 129 HD2 PHE 19 HD2 PHE 19 -3.619 -21.872 -2.476 130 HE1 PHE 19 HE1 PHE 19 -5.541 -19.475 -6.367 131 HE2 PHE 19 HE2 PHE 19 -6.014 -22.160 -3.051 132 HZ PHE 19 HZ PHE 19 -6.974 -20.962 -4.996 133 H TYR 20 HN TYR 20 -2.198 -22.954 -6.021 134 HA TYR 20 HA TYR 20 -1.548 -21.288 -8.376 135 HB2 TYR 20 HB2 TYR 20 -1.467 -24.311 -8.214 136 HB3 TYR 20 HB1 TYR 20 -1.278 -23.369 -9.693 137 HD1 TYR 20 HD1 TYR 20 0.259 -24.280 -6.466 138 HD2 TYR 20 HD2 TYR 20 0.734 -22.071 -10.118 139 HE1 TYR 20 HE1 TYR 20 2.674 -23.993 -5.979 140 HE2 TYR 20 HE2 TYR 20 3.148 -21.783 -9.631 141 HH TYR 20 HH TYR 20 4.694 -21.878 -7.890 142 H VAL 21 HN VAL 21 -3.184 -21.031 -9.860 143 HA VAL 21 HA VAL 21 -5.827 -21.963 -9.020 144 HB VAL 21 HB VAL 21 -4.963 -20.028 -11.186 145 HG11 VAL 21 HG11 VAL 21 -7.768 -20.611 -10.198 146 HG12 VAL 21 HG12 VAL 21 -7.089 -21.347 -11.649 147 HG13 VAL 21 HG13 VAL 21 -7.298 -19.597 -11.563 148 HG21 VAL 21 HG21 VAL 21 -4.790 -19.409 -8.684 149 HG22 VAL 21 HG22 VAL 21 -6.553 -19.472 -8.680 150 HG23 VAL 21 HG23 VAL 21 -5.715 -18.319 -9.717 151 H GLU 22 HN GLU 22 -6.595 -23.815 -9.798 152 HA GLU 22 HA GLU 22 -5.399 -25.157 -12.027 153 HB2 GLU 22 HB2 GLU 22 -7.944 -25.698 -10.479 154 HB3 GLU 22 HB1 GLU 22 -7.286 -26.771 -11.713 155 HG2 GLU 22 HG2 GLU 22 -5.209 -27.011 -10.424 156 HG3 GLU 22 HG1 GLU 22 -5.828 -25.902 -9.201 157 H ALA 23 HN ALA 23 -6.213 -25.435 -14.107 158 HA ALA 23 HA ALA 23 -7.502 -23.295 -15.313 159 HB1 ALA 23 HB1 ALA 23 -7.558 -26.176 -16.245 160 HB2 ALA 23 HB2 ALA 23 -6.232 -25.049 -16.533 161 HB3 ALA 23 HB3 ALA 23 -7.816 -24.747 -17.246 162 H GLY 24 HN GLY 24 -9.568 -22.675 -15.560 163 HA2 GLY 24 HA2 GLY 24 -11.886 -22.792 -15.601 164 HA3 GLY 24 HA1 GLY 24 -11.775 -24.519 -15.272 165 H GLN 25 HN GLN 25 -9.924 -22.601 -13.126 166 HA GLN 25 HA GLN 25 -12.077 -22.780 -11.104 167 HB2 GLN 25 HB2 GLN 25 -9.096 -23.113 -10.695 168 HB3 GLN 25 HB1 GLN 25 -10.318 -23.152 -9.422 169 HG2 GLN 25 HG2 GLN 25 -10.143 -25.054 -11.777 170 HG3 GLN 25 HG1 GLN 25 -9.738 -25.436 -10.105 171 HE21 GLN 25 HE21 GLN 25 -12.164 -25.892 -12.292 172 HE22 GLN 25 HE22 GLN 25 -13.496 -25.942 -11.240 173 H GLN 26 HN GLN 26 -12.124 -21.157 -9.493 174 HA GLN 26 HA GLN 26 -11.059 -18.587 -10.453 175 HB2 GLN 26 HB2 GLN 26 -13.271 -19.277 -8.512 176 HB3 GLN 26 HB1 GLN 26 -12.711 -17.630 -8.806 177 HG2 GLN 26 HG2 GLN 26 -13.310 -17.767 -11.141 178 HG3 GLN 26 HG1 GLN 26 -13.674 -19.486 -10.997 179 HE21 GLN 26 HE21 GLN 26 -15.534 -17.277 -11.804 180 HE22 GLN 26 HE22 GLN 26 -16.810 -17.329 -10.686 181 H PHE 27 HN PHE 27 -9.447 -17.605 -9.449 182 HA PHE 27 HA PHE 27 -8.012 -18.748 -7.311 183 HB2 PHE 27 HB2 PHE 27 -6.970 -17.195 -8.883 184 HB3 PHE 27 HB1 PHE 27 -8.032 -15.898 -8.338 185 HD1 PHE 27 HD1 PHE 27 -5.305 -18.195 -7.275 186 HD2 PHE 27 HD2 PHE 27 -7.576 -14.670 -6.345 187 HE1 PHE 27 HE1 PHE 27 -3.716 -17.652 -5.449 188 HE2 PHE 27 HE2 PHE 27 -5.985 -14.127 -4.521 189 HZ PHE 27 HZ PHE 27 -4.056 -15.619 -4.073 190 H ASP 28 HN ASP 28 -8.302 -18.704 -5.192 191 HA ASP 28 HA ASP 28 -10.471 -17.068 -4.105 192 HB2 ASP 28 HB2 ASP 28 -8.858 -19.374 -3.013 193 HB3 ASP 28 HB1 ASP 28 -10.003 -18.462 -2.038 194 H ASP 29 HN ASP 29 -9.915 -15.082 -3.488 195 HA ASP 29 HA ASP 29 -7.237 -14.363 -2.764 196 HB2 ASP 29 HB2 ASP 29 -8.197 -12.151 -2.301 197 HB3 ASP 29 HB1 ASP 29 -8.751 -12.767 -3.855 198 H SER 30 HN SER 30 -9.984 -15.550 -1.035 199 HA SER 30 HA SER 30 -9.324 -14.470 1.525 200 HB2 SER 30 HB2 SER 30 -10.915 -16.118 2.391 201 HB3 SER 30 HB1 SER 30 -11.577 -15.305 0.976 202 HG SER 30 HG SER 30 -10.998 -17.924 1.366 203 H ALA 31 HN ALA 31 -8.590 -17.540 -0.118 204 HA ALA 31 HA ALA 31 -7.248 -18.701 2.118 205 HB1 ALA 31 HB1 ALA 31 -7.580 -20.460 0.767 206 HB2 ALA 31 HB2 ALA 31 -6.213 -19.885 -0.186 207 HB3 ALA 31 HB3 ALA 31 -7.855 -19.418 -0.629 208 H TYR 32 HN TYR 32 -6.169 -16.937 -0.758 209 HA TYR 32 HA TYR 32 -3.392 -17.222 -0.331 210 HB2 TYR 32 HB2 TYR 32 -4.425 -16.429 -2.459 211 HB3 TYR 32 HB1 TYR 32 -4.801 -14.900 -1.663 212 HD1 TYR 32 HD1 TYR 32 -2.977 -13.401 -0.888 213 HD2 TYR 32 HD2 TYR 32 -2.167 -16.996 -3.092 214 HE1 TYR 32 HE1 TYR 32 -0.680 -12.593 -1.359 215 HE2 TYR 32 HE2 TYR 32 0.133 -16.192 -3.558 216 HH TYR 32 HH TYR 32 1.762 -14.618 -2.576 217 H GLU 33 HN GLU 33 -5.642 -14.625 0.573 218 HA GLU 33 HA GLU 33 -3.692 -13.029 1.895 219 HB2 GLU 33 HB2 GLU 33 -5.567 -11.778 2.782 220 HB3 GLU 33 HB1 GLU 33 -5.910 -12.186 1.101 221 HG2 GLU 33 HG2 GLU 33 -7.908 -12.801 2.114 222 HG3 GLU 33 HG1 GLU 33 -7.022 -14.322 2.167 223 H GLU 34 HN GLU 34 -5.853 -15.601 2.934 224 HA GLU 34 HA GLU 34 -5.507 -15.321 5.715 225 HB2 GLU 34 HB2 GLU 34 -7.261 -16.732 4.741 226 HB3 GLU 34 HB1 GLU 34 -6.036 -17.830 4.105 227 HG2 GLU 34 HG2 GLU 34 -6.932 -18.719 6.201 228 HG3 GLU 34 HG1 GLU 34 -5.245 -18.257 6.419 229 H ALA 35 HN ALA 35 -3.727 -17.295 3.338 230 HA ALA 35 HA ALA 35 -1.970 -18.509 5.182 231 HB1 ALA 35 HB1 ALA 35 -2.443 -18.796 2.521 232 HB2 ALA 35 HB2 ALA 35 -1.053 -19.486 3.356 233 HB3 ALA 35 HB3 ALA 35 -0.893 -17.957 2.493 234 H TYR 36 HN TYR 36 -1.625 -15.553 3.220 235 HA TYR 36 HA TYR 36 0.957 -14.984 4.456 236 HB2 TYR 36 HB2 TYR 36 -0.655 -13.517 2.359 237 HB3 TYR 36 HB1 TYR 36 0.939 -13.018 2.921 238 HD1 TYR 36 HD1 TYR 36 -0.914 -15.292 0.787 239 HD2 TYR 36 HD2 TYR 36 2.903 -14.574 2.617 240 HE1 TYR 36 HE1 TYR 36 0.140 -16.886 -0.795 241 HE2 TYR 36 HE2 TYR 36 3.960 -16.166 1.036 242 HH TYR 36 HH TYR 36 2.036 -18.140 -1.144 243 H GLY 37 HN GLY 37 -2.295 -14.362 5.085 244 HA2 GLY 37 HA2 GLY 37 -3.306 -13.125 6.745 245 HA3 GLY 37 HA1 GLY 37 -1.699 -12.685 7.318 246 H VAL 38 HN VAL 38 -2.373 -12.063 3.996 247 HA VAL 38 HA VAL 38 -2.931 -9.224 4.617 248 HB VAL 38 HB VAL 38 -1.474 -8.603 2.705 249 HG11 VAL 38 HG11 VAL 38 0.607 -9.931 4.063 250 HG12 VAL 38 HG12 VAL 38 -0.661 -9.689 5.266 251 HG13 VAL 38 HG13 VAL 38 -0.003 -8.308 4.388 252 HG21 VAL 38 HG21 VAL 38 -0.081 -11.194 2.696 253 HG22 VAL 38 HG22 VAL 38 -0.517 -10.150 1.344 254 HG23 VAL 38 HG23 VAL 38 -1.707 -11.265 2.017 255 H SER 39 HN SER 39 -4.453 -8.258 3.409 256 HA SER 39 HA SER 39 -6.275 -9.814 1.916 257 HB2 SER 39 HB2 SER 39 -6.987 -7.784 3.044 258 HB3 SER 39 HB1 SER 39 -5.912 -6.814 2.041 259 HG SER 39 HG SER 39 -7.666 -8.493 0.705 260 H VAL 40 HN VAL 40 -6.529 -10.192 -0.210 261 HA VAL 40 HA VAL 40 -4.367 -9.318 -2.002 262 HB VAL 40 HB VAL 40 -6.446 -11.491 -2.346 263 HG11 VAL 40 HG11 VAL 40 -5.125 -12.143 -4.296 264 HG12 VAL 40 HG12 VAL 40 -3.981 -10.837 -3.989 265 HG13 VAL 40 HG13 VAL 40 -5.635 -10.463 -4.472 266 HG21 VAL 40 HG21 VAL 40 -3.478 -11.853 -1.973 267 HG22 VAL 40 HG22 VAL 40 -4.771 -13.027 -1.728 268 HG23 VAL 40 HG23 VAL 40 -4.545 -11.709 -0.577 269 HA PRO 41 HA PRO 41 -7.191 -6.239 -3.597 270 HB2 PRO 41 HB2 PRO 41 -5.235 -6.352 -5.856 271 HB3 PRO 41 HB1 PRO 41 -5.831 -4.946 -4.950 272 HG2 PRO 41 HG2 PRO 41 -3.398 -5.878 -4.524 273 HG3 PRO 41 HG1 PRO 41 -4.400 -5.324 -3.172 274 HD2 PRO 41 HD2 PRO 41 -3.770 -8.133 -4.020 275 HD3 PRO 41 HD1 PRO 41 -3.941 -7.460 -2.380 276 H SER 42 HN SER 42 -9.011 -6.514 -4.768 277 HA SER 42 HA SER 42 -9.633 -8.867 -6.134 278 HB2 SER 42 HB2 SER 42 -11.337 -7.370 -5.213 279 HB3 SER 42 HB1 SER 42 -10.903 -6.131 -6.388 280 HG SER 42 HG SER 42 -11.468 -7.665 -8.026 281 H ALA 43 HN ALA 43 -8.470 -5.751 -7.360 282 HA ALA 43 HA ALA 43 -8.839 -6.239 -10.100 283 HB1 ALA 43 HB1 ALA 43 -6.381 -4.778 -9.413 284 HB2 ALA 43 HB2 ALA 43 -7.829 -4.168 -8.614 285 HB3 ALA 43 HB3 ALA 43 -7.768 -4.265 -10.373 286 H VAL 44 HN VAL 44 -6.177 -7.100 -7.924 287 HA VAL 44 HA VAL 44 -4.463 -8.150 -9.938 288 HB VAL 44 HB VAL 44 -4.637 -8.657 -6.960 289 HG11 VAL 44 HG11 VAL 44 -3.440 -10.528 -7.502 290 HG12 VAL 44 HG12 VAL 44 -2.115 -9.375 -7.661 291 HG13 VAL 44 HG13 VAL 44 -2.997 -9.908 -9.092 292 HG21 VAL 44 HG21 VAL 44 -3.049 -6.849 -8.772 293 HG22 VAL 44 HG22 VAL 44 -2.385 -7.344 -7.215 294 HG23 VAL 44 HG23 VAL 44 -3.902 -6.449 -7.283 295 H VAL 45 HN VAL 45 -6.914 -9.574 -7.829 296 HA VAL 45 HA VAL 45 -6.509 -12.282 -8.484 297 HB VAL 45 HB VAL 45 -8.956 -10.804 -7.514 298 HG11 VAL 45 HG11 VAL 45 -8.598 -13.572 -8.441 299 HG12 VAL 45 HG12 VAL 45 -10.083 -12.665 -8.157 300 HG13 VAL 45 HG13 VAL 45 -9.260 -13.450 -6.810 301 HG21 VAL 45 HG21 VAL 45 -6.533 -11.615 -6.289 302 HG22 VAL 45 HG22 VAL 45 -7.773 -12.733 -5.722 303 HG23 VAL 45 HG23 VAL 45 -7.978 -10.997 -5.492 304 H GLU 46 HN GLU 46 -8.650 -9.844 -10.017 305 HA GLU 46 HA GLU 46 -10.028 -11.639 -11.684 306 HB2 GLU 46 HB2 GLU 46 -10.782 -9.775 -12.879 307 HB3 GLU 46 HB1 GLU 46 -10.428 -9.097 -11.289 308 HG2 GLU 46 HG2 GLU 46 -8.104 -8.557 -12.187 309 HG3 GLU 46 HG1 GLU 46 -8.729 -8.948 -13.784 310 H GLU 47 HN GLU 47 -6.973 -9.876 -12.189 311 HA GLU 47 HA GLU 47 -6.512 -10.660 -14.832 312 HB2 GLU 47 HB2 GLU 47 -5.163 -8.952 -13.689 313 HB3 GLU 47 HB1 GLU 47 -4.487 -10.189 -12.627 314 HG2 GLU 47 HG2 GLU 47 -2.929 -9.734 -14.458 315 HG3 GLU 47 HG1 GLU 47 -3.575 -11.366 -14.615 316 H MET 48 HN MET 48 -5.634 -12.259 -11.773 317 HA MET 48 HA MET 48 -4.302 -14.464 -12.966 318 HB2 MET 48 HB2 MET 48 -5.680 -14.134 -10.290 319 HB3 MET 48 HB1 MET 48 -4.780 -15.579 -10.751 320 HG2 MET 48 HG2 MET 48 -2.756 -14.232 -11.098 321 HG3 MET 48 HG1 MET 48 -3.647 -12.766 -10.688 322 HE1 MET 48 HE1 MET 48 -0.843 -14.052 -8.640 323 HE2 MET 48 HE2 MET 48 -1.569 -12.681 -7.806 324 HE3 MET 48 HE3 MET 48 -1.492 -12.691 -9.566 325 H ASN 49 HN ASN 49 -7.641 -13.819 -12.026 326 HA ASN 49 HA ASN 49 -8.719 -16.382 -12.491 327 HB2 ASN 49 HB2 ASN 49 -9.955 -13.625 -12.683 328 HB3 ASN 49 HB1 ASN 49 -10.879 -15.122 -12.776 329 HD21 ASN 49 HD21 ASN 49 -10.187 -16.706 -10.798 330 HD22 ASN 49 HD22 ASN 49 -10.156 -15.935 -9.284 331 H ALA 50 HN ALA 50 -8.240 -13.580 -14.588 332 HA ALA 50 HA ALA 50 -9.556 -14.592 -16.879 333 HB1 ALA 50 HB1 ALA 50 -7.922 -12.307 -16.196 334 HB2 ALA 50 HB2 ALA 50 -9.129 -12.472 -17.472 335 HB3 ALA 50 HB3 ALA 50 -7.459 -12.952 -17.772 336 H LYS 51 HN LYS 51 -6.211 -14.808 -15.752 337 HA LYS 51 HA LYS 51 -5.115 -16.025 -18.040 338 HB2 LYS 51 HB2 LYS 51 -4.318 -16.147 -15.128 339 HB3 LYS 51 HB1 LYS 51 -3.360 -16.862 -16.425 340 HG2 LYS 51 HG2 LYS 51 -3.201 -14.662 -17.529 341 HG3 LYS 51 HG1 LYS 51 -4.159 -13.942 -16.235 342 HD2 LYS 51 HD2 LYS 51 -2.438 -14.589 -14.591 343 HD3 LYS 51 HD1 LYS 51 -1.476 -15.314 -15.882 344 HE2 LYS 51 HE2 LYS 51 -1.304 -13.122 -16.995 345 HE3 LYS 51 HE1 LYS 51 -2.271 -12.392 -15.714 346 HZ1 LYS 51 HZ1 LYS 51 -0.591 -12.587 -14.202 347 HZ2 LYS 51 HZ2 LYS 51 0.320 -12.344 -15.615 348 HZ3 LYS 51 HZ3 LYS 51 0.129 -13.909 -14.983 349 H ALA 52 HN ALA 52 -6.650 -17.431 -15.149 350 HA ALA 52 HA ALA 52 -6.098 -20.125 -15.703 351 HB1 ALA 52 HB1 ALA 52 -8.247 -20.486 -14.322 352 HB2 ALA 52 HB2 ALA 52 -8.272 -18.731 -14.155 353 HB3 ALA 52 HB3 ALA 52 -6.900 -19.657 -13.543 354 H ALA 53 HN ALA 53 -8.677 -17.988 -16.816 355 HA ALA 53 HA ALA 53 -10.346 -19.936 -17.977 356 HB1 ALA 53 HB1 ALA 53 -11.367 -18.119 -19.162 357 HB2 ALA 53 HB2 ALA 53 -9.928 -17.117 -18.983 358 HB3 ALA 53 HB3 ALA 53 -10.911 -17.507 -17.572 359 H GLN 54 HN GLN 54 -7.502 -18.230 -19.176 360 HA GLN 54 HA GLN 54 -7.748 -19.415 -21.825 361 HB2 GLN 54 HB2 GLN 54 -5.687 -17.600 -20.565 362 HB3 GLN 54 HB1 GLN 54 -5.570 -18.209 -22.217 363 HG2 GLN 54 HG2 GLN 54 -7.644 -17.138 -22.834 364 HG3 GLN 54 HG1 GLN 54 -7.966 -16.689 -21.159 365 HE21 GLN 54 HE21 GLN 54 -7.626 -14.871 -23.519 366 HE22 GLN 54 HE22 GLN 54 -6.335 -13.845 -23.117 367 H LEU 55 HN LEU 55 -6.393 -20.273 -18.821 368 HA LEU 55 HA LEU 55 -4.115 -21.718 -19.736 369 HB2 LEU 55 HB2 LEU 55 -5.723 -21.783 -17.191 370 HB3 LEU 55 HB1 LEU 55 -4.385 -22.898 -17.468 371 HG LEU 55 HG LEU 55 -4.102 -19.902 -17.769 372 HD11 LEU 55 HD11 LEU 55 -2.769 -20.932 -15.452 373 HD12 LEU 55 HD12 LEU 55 -4.469 -21.391 -15.368 374 HD13 LEU 55 HD13 LEU 55 -4.019 -19.693 -15.530 375 HD21 LEU 55 HD21 LEU 55 -2.160 -20.609 -18.699 376 HD22 LEU 55 HD22 LEU 55 -2.396 -22.258 -18.121 377 HD23 LEU 55 HD23 LEU 55 -1.681 -21.046 -17.060 378 H LYS 56 HN LYS 56 -3.927 -23.637 -20.611 379 HA LYS 56 HA LYS 56 -6.323 -25.262 -21.046 380 HB2 LYS 56 HB2 LYS 56 -3.527 -25.422 -22.198 381 HB3 LYS 56 HB1 LYS 56 -4.839 -26.528 -22.610 382 HG2 LYS 56 HG2 LYS 56 -6.201 -24.621 -23.393 383 HG3 LYS 56 HG1 LYS 56 -4.886 -23.518 -22.990 384 HD2 LYS 56 HD2 LYS 56 -3.414 -24.657 -24.594 385 HD3 LYS 56 HD1 LYS 56 -4.703 -25.799 -24.980 386 HE2 LYS 56 HE2 LYS 56 -4.625 -24.028 -26.675 387 HE3 LYS 56 HE1 LYS 56 -6.120 -23.908 -25.747 388 HZ1 LYS 56 HZ1 LYS 56 -5.238 -22.141 -24.472 389 HZ2 LYS 56 HZ2 LYS 56 -4.909 -21.769 -26.097 390 HZ3 LYS 56 HZ3 LYS 56 -3.676 -22.365 -25.093 391 H ASP 57 HN ASP 57 -5.987 -27.695 -20.925 392 HA ASP 57 HA ASP 57 -5.450 -28.476 -18.298 393 HB2 ASP 57 HB2 ASP 57 -6.803 -29.766 -19.964 394 HB3 ASP 57 HB1 ASP 57 -5.300 -30.233 -20.759 395 H GLY 58 HN GLY 58 -3.692 -29.501 -17.313 396 HA2 GLY 58 HA2 GLY 58 -1.508 -30.252 -17.066 397 HA3 GLY 58 HA1 GLY 58 -1.254 -29.996 -18.790 398 H GLU 59 HN GLU 59 -2.626 -27.337 -17.133 399 HA GLU 59 HA GLU 59 0.026 -26.073 -16.816 400 HB2 GLU 59 HB2 GLU 59 -2.400 -24.895 -18.180 401 HB3 GLU 59 HB1 GLU 59 -0.997 -23.949 -17.674 402 HG2 GLU 59 HG2 GLU 59 0.469 -25.290 -19.085 403 HG3 GLU 59 HG1 GLU 59 -0.875 -26.339 -19.532 404 H TRP 60 HN TRP 60 0.156 -24.426 -15.232 405 HA TRP 60 HA TRP 60 -2.196 -24.093 -13.504 406 HB2 TRP 60 HB2 TRP 60 0.553 -24.770 -12.438 407 HB3 TRP 60 HB1 TRP 60 -0.912 -24.510 -11.493 408 HD1 TRP 60 HD1 TRP 60 1.082 -27.220 -12.742 409 HE1 TRP 60 HE1 TRP 60 -0.274 -29.398 -12.981 410 HE3 TRP 60 HE3 TRP 60 -3.658 -25.346 -12.439 411 HZ2 TRP 60 HZ2 TRP 60 -3.007 -30.236 -13.041 412 HZ3 TRP 60 HZ3 TRP 60 -5.617 -26.855 -12.594 413 HH2 TRP 60 HH2 TRP 60 -5.299 -29.296 -12.895 414 H LEU 61 HN LEU 61 -2.201 -22.174 -12.289 415 HA LEU 61 HA LEU 61 -0.397 -20.107 -13.359 416 HB2 LEU 61 HB2 LEU 61 -2.834 -19.718 -13.557 417 HB3 LEU 61 HB1 LEU 61 -2.977 -19.808 -11.800 418 HG LEU 61 HG LEU 61 -1.411 -17.911 -11.578 419 HD11 LEU 61 HD11 LEU 61 -1.366 -16.818 -14.154 420 HD12 LEU 61 HD12 LEU 61 -1.014 -18.530 -14.397 421 HD13 LEU 61 HD13 LEU 61 -0.008 -17.568 -13.315 422 HD21 LEU 61 HD21 LEU 61 -2.907 -16.165 -12.548 423 HD22 LEU 61 HD22 LEU 61 -3.813 -17.424 -11.710 424 HD23 LEU 61 HD23 LEU 61 -3.734 -17.419 -13.472 425 H ASN 62 HN ASN 62 0.939 -18.908 -12.040 426 HA ASN 62 HA ASN 62 1.152 -19.846 -9.252 427 HB2 ASN 62 HB2 ASN 62 3.174 -20.225 -10.525 428 HB3 ASN 62 HB1 ASN 62 3.186 -18.552 -11.078 429 HD21 ASN 62 HD21 ASN 62 3.543 -20.575 -8.146 430 HD22 ASN 62 HD22 ASN 62 4.402 -19.412 -7.259 431 H VAL 63 HN VAL 63 0.709 -18.499 -7.637 432 HA VAL 63 HA VAL 63 0.476 -15.611 -8.239 433 HB VAL 63 HB VAL 63 -1.068 -17.263 -6.224 434 HG11 VAL 63 HG11 VAL 63 -2.289 -14.787 -6.551 435 HG12 VAL 63 HG12 VAL 63 -0.571 -14.397 -6.513 436 HG13 VAL 63 HG13 VAL 63 -1.305 -15.277 -5.172 437 HG21 VAL 63 HG21 VAL 63 -1.908 -17.701 -8.433 438 HG22 VAL 63 HG22 VAL 63 -1.787 -15.999 -8.883 439 HG23 VAL 63 HG23 VAL 63 -3.000 -16.517 -7.712 440 H SER 64 HN SER 64 1.775 -14.279 -7.107 441 HA SER 64 HA SER 64 2.711 -15.024 -4.451 442 HB2 SER 64 HB2 SER 64 5.061 -14.802 -5.001 443 HB3 SER 64 HB1 SER 64 4.354 -16.041 -6.033 444 HG SER 64 HG SER 64 4.052 -13.653 -7.189 445 H HIS 65 HN HIS 65 4.194 -13.168 -3.614 446 HA HIS 65 HA HIS 65 3.471 -10.579 -4.788 447 HB2 HIS 65 HB2 HIS 65 2.631 -9.702 -2.707 448 HB3 HIS 65 HB1 HIS 65 1.743 -11.183 -3.066 449 HD1 HIS 65 HD1 HIS 65 2.602 -13.389 -1.779 450 HD2 HIS 65 HD2 HIS 65 4.034 -9.764 -0.298 451 HE1 HIS 65 HE1 HIS 65 3.536 -13.875 0.524 452 H GLU 66 HN GLU 66 4.751 -8.776 -3.849 453 HA GLU 66 HA GLU 66 7.424 -9.728 -3.107 454 HB2 GLU 66 HB2 GLU 66 7.289 -8.263 -5.060 455 HB3 GLU 66 HB1 GLU 66 6.475 -7.029 -4.096 456 HG2 GLU 66 HG2 GLU 66 8.858 -6.499 -4.275 457 HG3 GLU 66 HG1 GLU 66 8.461 -6.912 -2.609 458 H ALA 67 HN ALA 67 8.214 -9.433 -1.114 459 HA ALA 67 HA ALA 67 7.298 -7.242 0.557 460 HB1 ALA 67 HB1 ALA 67 5.951 -9.665 0.763 461 HB2 ALA 67 HB2 ALA 67 5.979 -8.383 1.975 462 HB3 ALA 67 HB3 ALA 67 7.124 -9.721 2.077 Start of MODEL 6 1 H MET 1 HT1 MET 1 6.325 0.045 -1.394 2 HA MET 1 HA MET 1 3.938 -0.991 -0.722 3 HB2 MET 1 HB2 MET 1 3.632 0.188 -2.620 4 HG2 MET 1 HG2 MET 1 4.861 -2.091 -4.176 5 HE1 MET 1 HE1 MET 1 5.368 -0.637 -6.282 6 HE2 MET 1 HE2 MET 1 4.068 -0.862 -7.450 7 HE3 MET 1 HE3 MET 1 4.588 -2.217 -6.448 8 H THR 2 HN THR 2 2.724 -2.742 -2.008 9 HA THR 2 HA THR 2 4.325 -5.229 -1.939 10 HB THR 2 HB THR 2 1.360 -4.837 -1.448 11 HG1 THR 2 HG1 THR 2 2.077 -5.608 0.669 12 HG21 THR 2 HG21 THR 2 3.137 -7.250 -1.672 13 HG22 THR 2 HG22 THR 2 1.528 -6.991 -2.347 14 HG23 THR 2 HG23 THR 2 1.723 -7.291 -0.621 15 H THR 3 HN THR 3 4.459 -6.404 -3.761 16 HA THR 3 HA THR 3 2.573 -5.789 -5.958 17 HB THR 3 HB THR 3 4.827 -4.753 -6.316 18 HG1 THR 3 HG1 THR 3 4.078 -6.895 -8.017 19 HG21 THR 3 HG21 THR 3 6.690 -5.933 -5.899 20 HG22 THR 3 HG22 THR 3 6.198 -7.166 -7.060 21 HG23 THR 3 HG23 THR 3 5.687 -7.285 -5.376 22 H PHE 4 HN PHE 4 2.010 -7.467 -7.306 23 HA PHE 4 HA PHE 4 2.712 -10.165 -6.318 24 HB2 PHE 4 HB2 PHE 4 0.175 -9.180 -7.644 25 HB3 PHE 4 HB1 PHE 4 0.504 -10.855 -7.210 26 HD1 PHE 4 HD1 PHE 4 -0.353 -7.520 -5.959 27 HD2 PHE 4 HD2 PHE 4 0.684 -11.537 -4.842 28 HE1 PHE 4 HE1 PHE 4 -1.147 -7.085 -3.650 29 HE2 PHE 4 HE2 PHE 4 -0.108 -11.100 -2.534 30 HZ PHE 4 HZ PHE 4 -1.024 -8.873 -1.936 31 H THR 5 HN THR 5 3.372 -11.687 -7.743 32 HA THR 5 HA THR 5 3.533 -10.896 -10.588 33 HB THR 5 HB THR 5 5.722 -11.997 -10.690 34 HG1 THR 5 HG1 THR 5 5.757 -13.474 -9.135 35 HG21 THR 5 HG21 THR 5 6.240 -10.286 -8.378 36 HG22 THR 5 HG22 THR 5 5.138 -9.546 -9.539 37 HG23 THR 5 HG23 THR 5 6.737 -10.082 -10.058 38 H SER 6 HN SER 6 3.630 -12.679 -12.098 39 HA SER 6 HA SER 6 2.901 -15.325 -11.114 40 HB2 SER 6 HB2 SER 6 0.730 -14.198 -11.258 41 HB3 SER 6 HB1 SER 6 1.068 -13.729 -12.921 42 HG SER 6 HG SER 6 1.265 -16.427 -12.176 43 H ILE 7 HN ILE 7 3.278 -16.977 -12.604 44 HA ILE 7 HA ILE 7 4.252 -16.248 -15.273 45 HB ILE 7 HB ILE 7 5.748 -17.993 -13.292 46 HG12 ILE 7 HG12 ILE 7 6.619 -15.430 -14.656 47 HG13 ILE 7 HG11 ILE 7 5.933 -15.474 -13.032 48 HG21 ILE 7 HG21 ILE 7 5.948 -18.948 -15.493 49 HG22 ILE 7 HG22 ILE 7 7.439 -18.061 -15.177 50 HG23 ILE 7 HG23 ILE 7 6.200 -17.361 -16.220 51 HD11 ILE 7 HD11 ILE 7 7.833 -17.417 -12.830 52 HD12 ILE 7 HD12 ILE 7 8.106 -15.731 -12.389 53 HD13 ILE 7 HD13 ILE 7 8.608 -16.321 -13.974 54 H VAL 8 HN VAL 8 3.902 -17.971 -16.823 55 HA VAL 8 HA VAL 8 1.851 -19.828 -15.971 56 HB VAL 8 HB VAL 8 3.198 -19.439 -18.654 57 HG11 VAL 8 HG11 VAL 8 1.685 -21.610 -17.715 58 HG12 VAL 8 HG12 VAL 8 2.039 -21.224 -19.400 59 HG13 VAL 8 HG13 VAL 8 0.552 -20.638 -18.655 60 HG21 VAL 8 HG21 VAL 8 1.863 -17.627 -18.795 61 HG22 VAL 8 HG22 VAL 8 1.148 -17.983 -17.222 62 HG23 VAL 8 HG23 VAL 8 0.470 -18.704 -18.683 63 H THR 9 HN THR 9 2.560 -21.456 -14.788 64 HA THR 9 HA THR 9 4.344 -23.417 -15.986 65 HB THR 9 HB THR 9 5.095 -21.714 -13.685 66 HG1 THR 9 HG1 THR 9 6.627 -21.633 -15.110 67 HG21 THR 9 HG21 THR 9 4.594 -23.740 -12.466 68 HG22 THR 9 HG22 THR 9 6.347 -23.619 -12.632 69 HG23 THR 9 HG23 THR 9 5.438 -24.723 -13.665 70 H THR 10 HN THR 10 3.837 -25.542 -15.228 71 HA THR 10 HA THR 10 1.689 -25.548 -13.188 72 HB THR 10 HB THR 10 0.470 -26.363 -14.918 73 HG1 THR 10 HG1 THR 10 1.366 -28.233 -13.488 74 HG21 THR 10 HG21 THR 10 2.364 -25.808 -16.487 75 HG22 THR 10 HG22 THR 10 1.413 -27.207 -16.977 76 HG23 THR 10 HG23 THR 10 2.986 -27.436 -16.215 77 H ASN 11 HN ASN 11 3.112 -25.903 -11.477 78 HA ASN 11 HA ASN 11 4.185 -28.652 -11.338 79 HB2 ASN 11 HB2 ASN 11 5.519 -26.139 -10.308 80 HB3 ASN 11 HB1 ASN 11 6.110 -27.782 -10.069 81 HD21 ASN 11 HD21 ASN 11 6.106 -29.031 -12.406 82 HD22 ASN 11 HD22 ASN 11 6.879 -28.153 -13.635 83 HA PRO 12 HA PRO 12 1.321 -27.660 -7.801 84 HB2 PRO 12 HB2 PRO 12 0.127 -30.153 -7.854 85 HB3 PRO 12 HB1 PRO 12 -0.482 -28.732 -8.722 86 HG2 PRO 12 HG2 PRO 12 1.113 -31.028 -9.735 87 HG3 PRO 12 HG1 PRO 12 -0.202 -30.132 -10.514 88 HD2 PRO 12 HD2 PRO 12 2.414 -29.722 -11.156 89 HD3 PRO 12 HD1 PRO 12 1.201 -28.423 -11.226 90 H ASP 13 HN ASP 13 2.583 -27.745 -6.044 91 HA ASP 13 HA ASP 13 3.635 -30.374 -5.197 92 HB2 ASP 13 HB2 ASP 13 5.039 -27.705 -4.926 93 HB3 ASP 13 HB1 ASP 13 5.628 -29.246 -4.305 94 H PHE 14 HN PHE 14 3.385 -30.870 -3.057 95 HA PHE 14 HA PHE 14 1.867 -28.917 -1.444 96 HB2 PHE 14 HB2 PHE 14 2.088 -31.925 -1.179 97 HB3 PHE 14 HB1 PHE 14 1.144 -30.878 -0.120 98 HD1 PHE 14 HD1 PHE 14 1.348 -32.446 -3.420 99 HD2 PHE 14 HD2 PHE 14 -0.838 -29.666 -0.982 100 HE1 PHE 14 HE1 PHE 14 -0.541 -32.526 -5.024 101 HE2 PHE 14 HE2 PHE 14 -2.728 -29.745 -2.586 102 HZ PHE 14 HZ PHE 14 -2.579 -31.175 -4.607 103 H GLY 15 HN GLY 15 4.885 -30.437 -1.764 104 HA2 GLY 15 HA2 GLY 15 5.730 -30.723 0.892 105 HA3 GLY 15 HA1 GLY 15 6.790 -30.440 -0.484 106 H GLY 16 HN GLY 16 5.776 -27.883 -1.251 107 HA2 GLY 16 HA2 GLY 16 6.709 -26.266 1.045 108 HA3 GLY 16 HA1 GLY 16 6.994 -25.851 -0.643 109 H PHE 17 HN PHE 17 6.000 -23.776 0.185 110 HA PHE 17 HA PHE 17 3.060 -23.929 0.280 111 HB2 PHE 17 HB2 PHE 17 3.172 -21.609 1.128 112 HB3 PHE 17 HB1 PHE 17 4.091 -22.723 2.138 113 HD1 PHE 17 HD1 PHE 17 6.543 -22.722 2.121 114 HD2 PHE 17 HD2 PHE 17 4.292 -19.952 -0.269 115 HE1 PHE 17 HE1 PHE 17 8.589 -21.364 1.766 116 HE2 PHE 17 HE2 PHE 17 6.337 -18.597 -0.625 117 HZ PHE 17 HZ PHE 17 8.486 -19.302 0.393 118 H GLU 18 HN GLU 18 2.112 -23.720 -1.624 119 HA GLU 18 HA GLU 18 2.733 -21.451 -3.315 120 HB2 GLU 18 HB2 GLU 18 2.991 -24.266 -4.405 121 HB3 GLU 18 HB1 GLU 18 3.065 -22.778 -5.353 122 HG2 GLU 18 HG2 GLU 18 4.948 -23.454 -3.073 123 HG3 GLU 18 HG1 GLU 18 5.327 -23.684 -4.780 124 H PHE 19 HN PHE 19 0.966 -20.821 -4.544 125 HA PHE 19 HA PHE 19 -1.437 -22.520 -4.259 126 HB2 PHE 19 HB2 PHE 19 -1.495 -20.370 -2.975 127 HB3 PHE 19 HB1 PHE 19 -1.337 -19.508 -4.507 128 HD1 PHE 19 HD1 PHE 19 -3.167 -19.424 -6.106 129 HD2 PHE 19 HD2 PHE 19 -3.516 -21.677 -2.466 130 HE1 PHE 19 HE1 PHE 19 -5.610 -19.642 -6.474 131 HE2 PHE 19 HE2 PHE 19 -5.960 -21.895 -2.836 132 HZ PHE 19 HZ PHE 19 -7.006 -20.877 -4.840 133 H TYR 20 HN TYR 20 -2.359 -23.192 -6.103 134 HA TYR 20 HA TYR 20 -1.679 -21.756 -8.604 135 HB2 TYR 20 HB2 TYR 20 -2.038 -24.738 -8.219 136 HB3 TYR 20 HB1 TYR 20 -1.759 -23.933 -9.761 137 HD1 TYR 20 HD1 TYR 20 0.406 -22.815 -10.225 138 HD2 TYR 20 HD2 TYR 20 -0.258 -25.071 -6.630 139 HE1 TYR 20 HE1 TYR 20 2.850 -22.908 -9.832 140 HE2 TYR 20 HE2 TYR 20 2.187 -25.162 -6.235 141 HH TYR 20 HH TYR 20 4.199 -24.683 -7.050 142 H VAL 21 HN VAL 21 -3.360 -21.257 -9.937 143 HA VAL 21 HA VAL 21 -6.050 -21.887 -8.982 144 HB VAL 21 HB VAL 21 -5.070 -20.073 -11.204 145 HG11 VAL 21 HG11 VAL 21 -7.486 -21.293 -11.185 146 HG12 VAL 21 HG12 VAL 21 -7.248 -19.653 -11.790 147 HG13 VAL 21 HG13 VAL 21 -7.846 -19.909 -10.151 148 HG21 VAL 21 HG21 VAL 21 -6.315 -19.482 -8.500 149 HG22 VAL 21 HG22 VAL 21 -5.818 -18.279 -9.690 150 HG23 VAL 21 HG23 VAL 21 -4.607 -19.286 -8.893 151 H GLU 22 HN GLU 22 -7.045 -23.650 -9.708 152 HA GLU 22 HA GLU 22 -6.097 -25.212 -11.872 153 HB2 GLU 22 HB2 GLU 22 -7.435 -26.134 -10.002 154 HB3 GLU 22 HB1 GLU 22 -8.836 -25.234 -10.581 155 HG2 GLU 22 HG2 GLU 22 -8.749 -26.439 -12.721 156 HG3 GLU 22 HG1 GLU 22 -7.320 -27.318 -12.178 157 H ALA 23 HN ALA 23 -6.608 -25.205 -14.014 158 HA ALA 23 HA ALA 23 -7.547 -22.962 -15.297 159 HB1 ALA 23 HB1 ALA 23 -7.359 -24.176 -17.217 160 HB2 ALA 23 HB2 ALA 23 -8.314 -25.516 -16.584 161 HB3 ALA 23 HB3 ALA 23 -6.612 -25.363 -16.148 162 H GLY 24 HN GLY 24 -9.466 -22.014 -15.527 163 HA2 GLY 24 HA2 GLY 24 -11.765 -21.739 -15.657 164 HA3 GLY 24 HA1 GLY 24 -11.940 -23.492 -15.586 165 H GLN 25 HN GLN 25 -9.960 -22.209 -13.126 166 HA GLN 25 HA GLN 25 -12.165 -22.515 -11.182 167 HB2 GLN 25 HB2 GLN 25 -10.262 -24.117 -10.986 168 HB3 GLN 25 HB1 GLN 25 -9.188 -22.748 -10.692 169 HG2 GLN 25 HG2 GLN 25 -9.900 -23.730 -8.560 170 HG3 GLN 25 HG1 GLN 25 -10.566 -22.106 -8.734 171 HE21 GLN 25 HE21 GLN 25 -12.693 -22.072 -8.010 172 HE22 GLN 25 HE22 GLN 25 -13.825 -23.314 -8.248 173 H GLN 26 HN GLN 26 -12.687 -20.865 -9.863 174 HA GLN 26 HA GLN 26 -11.547 -18.270 -10.397 175 HB2 GLN 26 HB2 GLN 26 -13.681 -19.225 -8.481 176 HB3 GLN 26 HB1 GLN 26 -13.188 -17.538 -8.621 177 HG2 GLN 26 HG2 GLN 26 -13.841 -17.466 -10.945 178 HG3 GLN 26 HG1 GLN 26 -14.139 -19.204 -10.964 179 HE21 GLN 26 HE21 GLN 26 -16.097 -16.998 -11.504 180 HE22 GLN 26 HE22 GLN 26 -17.341 -17.211 -10.369 181 H PHE 27 HN PHE 27 -9.864 -17.421 -9.415 182 HA PHE 27 HA PHE 27 -8.430 -18.683 -7.332 183 HB2 PHE 27 HB2 PHE 27 -7.318 -17.167 -8.869 184 HB3 PHE 27 HB1 PHE 27 -8.336 -15.829 -8.340 185 HD1 PHE 27 HD1 PHE 27 -7.807 -14.569 -6.406 186 HD2 PHE 27 HD2 PHE 27 -5.754 -18.257 -7.189 187 HE1 PHE 27 HE1 PHE 27 -6.215 -14.071 -4.570 188 HE2 PHE 27 HE2 PHE 27 -4.162 -17.762 -5.353 189 HZ PHE 27 HZ PHE 27 -4.392 -15.668 -4.042 190 H ASP 28 HN ASP 28 -8.679 -18.673 -5.211 191 HA ASP 28 HA ASP 28 -10.775 -17.015 -4.037 192 HB2 ASP 28 HB2 ASP 28 -9.114 -19.316 -3.006 193 HB3 ASP 28 HB1 ASP 28 -10.231 -18.410 -1.992 194 H ASP 29 HN ASP 29 -10.253 -15.057 -3.332 195 HA ASP 29 HA ASP 29 -7.554 -14.266 -2.787 196 HB2 ASP 29 HB2 ASP 29 -8.562 -12.110 -2.166 197 HB3 ASP 29 HB1 ASP 29 -9.195 -12.694 -3.704 198 H SER 30 HN SER 30 -10.150 -15.552 -0.868 199 HA SER 30 HA SER 30 -9.326 -14.515 1.648 200 HB2 SER 30 HB2 SER 30 -10.780 -16.243 2.597 201 HB3 SER 30 HB1 SER 30 -11.576 -15.430 1.253 202 HG SER 30 HG SER 30 -10.241 -17.938 1.229 203 H ALA 31 HN ALA 31 -8.579 -17.549 -0.076 204 HA ALA 31 HA ALA 31 -7.131 -18.762 2.015 205 HB1 ALA 31 HB1 ALA 31 -7.529 -20.339 0.436 206 HB2 ALA 31 HB2 ALA 31 -5.980 -19.801 -0.212 207 HB3 ALA 31 HB3 ALA 31 -7.484 -19.175 -0.886 208 H TYR 32 HN TYR 32 -6.116 -16.632 -0.628 209 HA TYR 32 HA TYR 32 -3.341 -16.847 -0.253 210 HB2 TYR 32 HB2 TYR 32 -4.370 -15.783 -2.227 211 HB3 TYR 32 HB1 TYR 32 -4.912 -14.445 -1.212 212 HD1 TYR 32 HD1 TYR 32 -1.959 -16.160 -2.631 213 HD2 TYR 32 HD2 TYR 32 -3.364 -12.769 -0.401 214 HE1 TYR 32 HE1 TYR 32 0.255 -15.076 -2.884 215 HE2 TYR 32 HE2 TYR 32 -1.151 -11.681 -0.660 216 HH TYR 32 HH TYR 32 1.428 -13.202 -2.584 217 H GLU 33 HN GLU 33 -5.661 -14.506 1.085 218 HA GLU 33 HA GLU 33 -3.691 -13.153 2.668 219 HB2 GLU 33 HB2 GLU 33 -5.549 -11.975 3.664 220 HB3 GLU 33 HB1 GLU 33 -5.858 -12.126 1.934 221 HG2 GLU 33 HG2 GLU 33 -7.266 -14.121 2.381 222 HG3 GLU 33 HG1 GLU 33 -6.999 -13.899 4.109 223 H GLU 34 HN GLU 34 -5.634 -15.988 3.058 224 HA GLU 34 HA GLU 34 -5.692 -16.178 5.869 225 HB2 GLU 34 HB2 GLU 34 -7.066 -17.601 4.421 226 HB3 GLU 34 HB1 GLU 34 -5.615 -18.394 3.809 227 HG2 GLU 34 HG2 GLU 34 -6.621 -19.762 5.571 228 HG3 GLU 34 HG1 GLU 34 -5.070 -19.130 6.119 229 H ALA 35 HN ALA 35 -3.336 -17.429 3.498 230 HA ALA 35 HA ALA 35 -1.597 -18.360 5.647 231 HB1 ALA 35 HB1 ALA 35 -1.789 -18.747 2.726 232 HB2 ALA 35 HB2 ALA 35 -1.292 -19.878 3.986 233 HB3 ALA 35 HB3 ALA 35 -0.147 -18.688 3.368 234 H TYR 36 HN TYR 36 -1.600 -15.942 3.063 235 HA TYR 36 HA TYR 36 0.966 -14.864 3.777 236 HB2 TYR 36 HB2 TYR 36 -1.249 -13.887 1.970 237 HB3 TYR 36 HB1 TYR 36 0.252 -12.993 2.218 238 HD1 TYR 36 HD1 TYR 36 -1.333 -15.703 0.448 239 HD2 TYR 36 HD2 TYR 36 2.467 -14.200 1.770 240 HE1 TYR 36 HE1 TYR 36 -0.186 -17.159 -1.198 241 HE2 TYR 36 HE2 TYR 36 3.615 -15.654 0.121 242 HH TYR 36 HH TYR 36 1.897 -17.324 -2.364 243 H GLY 37 HN GLY 37 -2.333 -14.304 4.721 244 HA2 GLY 37 HA2 GLY 37 -3.152 -13.095 6.519 245 HA3 GLY 37 HA1 GLY 37 -1.499 -12.625 6.903 246 H VAL 38 HN VAL 38 -2.489 -12.075 3.666 247 HA VAL 38 HA VAL 38 -3.106 -9.253 4.284 248 HB VAL 38 HB VAL 38 -1.743 -8.575 2.323 249 HG11 VAL 38 HG11 VAL 38 -0.922 -9.005 4.850 250 HG12 VAL 38 HG12 VAL 38 0.170 -8.428 3.591 251 HG13 VAL 38 HG13 VAL 38 0.142 -10.139 4.020 252 HG21 VAL 38 HG21 VAL 38 -0.881 -10.104 0.904 253 HG22 VAL 38 HG22 VAL 38 -1.810 -11.328 1.768 254 HG23 VAL 38 HG23 VAL 38 -0.140 -10.999 2.231 255 H SER 39 HN SER 39 -4.658 -8.329 3.095 256 HA SER 39 HA SER 39 -6.503 -9.923 1.673 257 HB2 SER 39 HB2 SER 39 -7.201 -7.877 2.787 258 HB3 SER 39 HB1 SER 39 -6.160 -6.917 1.740 259 HG SER 39 HG SER 39 -7.795 -8.564 0.331 260 H VAL 40 HN VAL 40 -6.908 -10.190 -0.484 261 HA VAL 40 HA VAL 40 -4.731 -9.396 -2.307 262 HB VAL 40 HB VAL 40 -6.862 -11.523 -2.630 263 HG11 VAL 40 HG11 VAL 40 -6.093 -10.529 -4.767 264 HG12 VAL 40 HG12 VAL 40 -5.544 -12.196 -4.593 265 HG13 VAL 40 HG13 VAL 40 -4.423 -10.864 -4.310 266 HG21 VAL 40 HG21 VAL 40 -5.379 -12.366 -1.014 267 HG22 VAL 40 HG22 VAL 40 -3.992 -11.536 -1.720 268 HG23 VAL 40 HG23 VAL 40 -4.673 -12.953 -2.520 269 HA PRO 41 HA PRO 41 -7.564 -6.249 -3.775 270 HB2 PRO 41 HB2 PRO 41 -5.593 -6.282 -6.025 271 HB3 PRO 41 HB1 PRO 41 -6.203 -4.909 -5.079 272 HG2 PRO 41 HG2 PRO 41 -3.768 -5.835 -4.660 273 HG3 PRO 41 HG1 PRO 41 -4.790 -5.339 -3.296 274 HD2 PRO 41 HD2 PRO 41 -4.135 -8.113 -4.247 275 HD3 PRO 41 HD1 PRO 41 -4.314 -7.504 -2.585 276 H SER 42 HN SER 42 -9.336 -6.390 -5.057 277 HA SER 42 HA SER 42 -10.014 -8.730 -6.418 278 HB2 SER 42 HB2 SER 42 -11.681 -7.143 -5.583 279 HB3 SER 42 HB1 SER 42 -11.146 -5.944 -6.755 280 HG SER 42 HG SER 42 -12.343 -6.907 -8.177 281 H ALA 43 HN ALA 43 -8.675 -5.683 -7.653 282 HA ALA 43 HA ALA 43 -8.962 -6.226 -10.392 283 HB1 ALA 43 HB1 ALA 43 -7.601 -4.290 -8.755 284 HB2 ALA 43 HB2 ALA 43 -8.113 -4.153 -10.437 285 HB3 ALA 43 HB3 ALA 43 -6.530 -4.826 -10.050 286 H VAL 44 HN VAL 44 -6.363 -7.068 -8.115 287 HA VAL 44 HA VAL 44 -4.640 -8.252 -10.045 288 HB VAL 44 HB VAL 44 -4.909 -8.651 -7.057 289 HG11 VAL 44 HG11 VAL 44 -2.960 -9.798 -9.065 290 HG12 VAL 44 HG12 VAL 44 -3.910 -10.661 -7.855 291 HG13 VAL 44 HG13 VAL 44 -2.559 -9.643 -7.355 292 HG21 VAL 44 HG21 VAL 44 -2.456 -7.484 -8.111 293 HG22 VAL 44 HG22 VAL 44 -3.559 -6.844 -6.892 294 HG23 VAL 44 HG23 VAL 44 -3.874 -6.557 -8.604 295 H VAL 45 HN VAL 45 -7.166 -9.514 -7.929 296 HA VAL 45 HA VAL 45 -6.879 -12.254 -8.520 297 HB VAL 45 HB VAL 45 -9.256 -10.630 -7.600 298 HG11 VAL 45 HG11 VAL 45 -8.943 -13.542 -8.233 299 HG12 VAL 45 HG12 VAL 45 -10.343 -12.494 -8.457 300 HG13 VAL 45 HG13 VAL 45 -9.931 -13.082 -6.846 301 HG21 VAL 45 HG21 VAL 45 -8.471 -12.365 -5.604 302 HG22 VAL 45 HG22 VAL 45 -7.991 -10.671 -5.713 303 HG23 VAL 45 HG23 VAL 45 -6.931 -11.929 -6.347 304 H GLU 46 HN GLU 46 -8.832 -9.713 -10.103 305 HA GLU 46 HA GLU 46 -10.306 -11.421 -11.784 306 HB2 GLU 46 HB2 GLU 46 -9.410 -8.554 -12.125 307 HB3 GLU 46 HB1 GLU 46 -10.488 -9.371 -13.259 308 HG2 GLU 46 HG2 GLU 46 -12.123 -9.762 -11.516 309 HG3 GLU 46 HG1 GLU 46 -11.023 -9.142 -10.286 310 H GLU 47 HN GLU 47 -7.183 -9.767 -12.319 311 HA GLU 47 HA GLU 47 -6.779 -10.688 -14.945 312 HB2 GLU 47 HB2 GLU 47 -4.889 -9.815 -12.764 313 HB3 GLU 47 HB1 GLU 47 -4.304 -10.341 -14.342 314 HG2 GLU 47 HG2 GLU 47 -4.536 -7.995 -14.560 315 HG3 GLU 47 HG1 GLU 47 -5.979 -8.650 -15.329 316 H MET 48 HN MET 48 -5.974 -12.111 -11.798 317 HA MET 48 HA MET 48 -4.519 -14.328 -12.800 318 HB2 MET 48 HB2 MET 48 -6.099 -13.936 -10.248 319 HB3 MET 48 HB1 MET 48 -5.122 -15.367 -10.580 320 HG2 MET 48 HG2 MET 48 -4.079 -12.519 -10.567 321 HG3 MET 48 HG1 MET 48 -3.870 -13.680 -9.255 322 HE1 MET 48 HE1 MET 48 -0.865 -12.532 -11.225 323 HE2 MET 48 HE2 MET 48 -0.537 -13.704 -9.951 324 HE3 MET 48 HE3 MET 48 -1.790 -12.488 -9.717 325 H ASN 49 HN ASN 49 -7.930 -13.743 -12.128 326 HA ASN 49 HA ASN 49 -8.888 -16.366 -12.604 327 HB2 ASN 49 HB2 ASN 49 -10.197 -13.652 -12.857 328 HB3 ASN 49 HB1 ASN 49 -11.069 -15.168 -13.074 329 HD21 ASN 49 HD21 ASN 49 -8.922 -16.126 -10.860 330 HD22 ASN 49 HD22 ASN 49 -9.718 -15.685 -9.428 331 H ALA 50 HN ALA 50 -8.352 -13.575 -14.683 332 HA ALA 50 HA ALA 50 -9.503 -14.609 -17.047 333 HB1 ALA 50 HB1 ALA 50 -7.291 -12.935 -17.708 334 HB2 ALA 50 HB2 ALA 50 -8.068 -12.273 -16.269 335 HB3 ALA 50 HB3 ALA 50 -9.009 -12.539 -17.737 336 H LYS 51 HN LYS 51 -6.197 -14.755 -15.761 337 HA LYS 51 HA LYS 51 -4.992 -15.995 -17.982 338 HB2 LYS 51 HB2 LYS 51 -4.340 -16.051 -15.031 339 HB3 LYS 51 HB1 LYS 51 -3.288 -16.728 -16.279 340 HG2 LYS 51 HG2 LYS 51 -3.151 -14.548 -17.385 341 HG3 LYS 51 HG1 LYS 51 -4.257 -13.857 -16.198 342 HD2 LYS 51 HD2 LYS 51 -2.651 -14.344 -14.400 343 HD3 LYS 51 HD1 LYS 51 -1.542 -15.050 -15.579 344 HE2 LYS 51 HE2 LYS 51 -0.915 -12.730 -15.089 345 HE3 LYS 51 HE1 LYS 51 -1.432 -12.884 -16.766 346 HZ1 LYS 51 HZ1 LYS 51 -3.205 -12.022 -14.549 347 HZ2 LYS 51 HZ2 LYS 51 -3.558 -12.003 -16.209 348 HZ3 LYS 51 HZ3 LYS 51 -2.388 -10.948 -15.575 349 H ALA 52 HN ALA 52 -6.605 -17.349 -15.118 350 HA ALA 52 HA ALA 52 -6.012 -20.056 -15.588 351 HB1 ALA 52 HB1 ALA 52 -7.339 -20.448 -13.787 352 HB2 ALA 52 HB2 ALA 52 -8.648 -19.441 -14.404 353 HB3 ALA 52 HB3 ALA 52 -7.265 -18.696 -13.603 354 H ALA 53 HN ALA 53 -8.569 -17.959 -16.787 355 HA ALA 53 HA ALA 53 -10.226 -19.930 -17.936 356 HB1 ALA 53 HB1 ALA 53 -9.797 -16.999 -18.417 357 HB2 ALA 53 HB2 ALA 53 -11.220 -17.828 -17.786 358 HB3 ALA 53 HB3 ALA 53 -10.830 -17.931 -19.503 359 H GLN 54 HN GLN 54 -7.367 -18.248 -19.122 360 HA GLN 54 HA GLN 54 -7.589 -19.413 -21.775 361 HB2 GLN 54 HB2 GLN 54 -5.427 -17.750 -20.468 362 HB3 GLN 54 HB1 GLN 54 -5.405 -18.274 -22.153 363 HG2 GLN 54 HG2 GLN 54 -7.550 -17.110 -22.539 364 HG3 GLN 54 HG1 GLN 54 -7.552 -16.568 -20.862 365 HE21 GLN 54 HE21 GLN 54 -6.992 -14.388 -20.851 366 HE22 GLN 54 HE22 GLN 54 -5.731 -13.707 -21.759 367 H LEU 55 HN LEU 55 -6.287 -20.313 -18.746 368 HA LEU 55 HA LEU 55 -4.098 -21.896 -19.672 369 HB2 LEU 55 HB2 LEU 55 -5.652 -21.847 -17.088 370 HB3 LEU 55 HB1 LEU 55 -4.325 -22.972 -17.372 371 HG LEU 55 HG LEU 55 -4.053 -19.980 -17.724 372 HD11 LEU 55 HD11 LEU 55 -3.894 -19.763 -15.488 373 HD12 LEU 55 HD12 LEU 55 -2.618 -20.980 -15.458 374 HD13 LEU 55 HD13 LEU 55 -4.306 -21.467 -15.301 375 HD21 LEU 55 HD21 LEU 55 -1.617 -20.590 -17.495 376 HD22 LEU 55 HD22 LEU 55 -2.389 -21.251 -18.936 377 HD23 LEU 55 HD23 LEU 55 -2.098 -22.287 -17.539 378 H LYS 56 HN LYS 56 -4.000 -23.914 -20.358 379 HA LYS 56 HA LYS 56 -6.510 -25.377 -20.770 380 HB2 LYS 56 HB2 LYS 56 -3.734 -25.923 -21.849 381 HB3 LYS 56 HB1 LYS 56 -5.218 -26.748 -22.329 382 HG2 LYS 56 HG2 LYS 56 -4.694 -23.776 -22.638 383 HG3 LYS 56 HG1 LYS 56 -4.609 -24.965 -23.940 384 HD2 LYS 56 HD2 LYS 56 -6.999 -25.560 -23.478 385 HD3 LYS 56 HD1 LYS 56 -7.060 -24.240 -22.309 386 HE2 LYS 56 HE2 LYS 56 -6.357 -23.922 -25.242 387 HE3 LYS 56 HE1 LYS 56 -7.933 -23.559 -24.538 388 HZ1 LYS 56 HZ1 LYS 56 -6.728 -22.020 -23.000 389 HZ2 LYS 56 HZ2 LYS 56 -6.738 -21.541 -24.630 390 HZ3 LYS 56 HZ3 LYS 56 -5.343 -22.242 -23.955 391 H ASP 57 HN ASP 57 -6.264 -27.850 -20.594 392 HA ASP 57 HA ASP 57 -5.822 -28.546 -17.913 393 HB2 ASP 57 HB2 ASP 57 -7.264 -29.812 -19.501 394 HB3 ASP 57 HB1 ASP 57 -5.811 -30.385 -20.317 395 H GLY 58 HN GLY 58 -4.124 -29.560 -16.856 396 HA2 GLY 58 HA2 GLY 58 -1.994 -30.449 -16.558 397 HA3 GLY 58 HA1 GLY 58 -1.732 -30.336 -18.295 398 H GLU 59 HN GLU 59 -2.927 -27.456 -16.968 399 HA GLU 59 HA GLU 59 -0.206 -26.348 -16.660 400 HB2 GLU 59 HB2 GLU 59 -2.508 -25.188 -18.233 401 HB3 GLU 59 HB1 GLU 59 -1.098 -24.245 -17.745 402 HG2 GLU 59 HG2 GLU 59 0.386 -25.733 -18.958 403 HG3 GLU 59 HG1 GLU 59 -0.951 -26.816 -19.340 404 H TRP 60 HN TRP 60 0.005 -24.593 -15.224 405 HA TRP 60 HA TRP 60 -2.358 -23.907 -13.623 406 HB2 TRP 60 HB2 TRP 60 0.261 -24.715 -12.352 407 HB3 TRP 60 HB1 TRP 60 -1.261 -24.348 -11.540 408 HD1 TRP 60 HD1 TRP 60 0.695 -27.196 -12.498 409 HE1 TRP 60 HE1 TRP 60 -0.736 -29.324 -12.759 410 HE3 TRP 60 HE3 TRP 60 -3.964 -25.110 -12.683 411 HZ2 TRP 60 HZ2 TRP 60 -3.490 -30.046 -13.019 412 HZ3 TRP 60 HZ3 TRP 60 -5.970 -26.543 -12.943 413 HH2 TRP 60 HH2 TRP 60 -5.740 -29.004 -13.111 414 H LEU 61 HN LEU 61 -2.147 -21.948 -12.456 415 HA LEU 61 HA LEU 61 -0.109 -20.137 -13.593 416 HB2 LEU 61 HB2 LEU 61 -2.483 -19.519 -13.959 417 HB3 LEU 61 HB1 LEU 61 -2.730 -19.486 -12.212 418 HG LEU 61 HG LEU 61 -1.003 -17.734 -12.002 419 HD11 LEU 61 HD11 LEU 61 0.494 -17.469 -13.664 420 HD12 LEU 61 HD12 LEU 61 -0.800 -16.906 -14.724 421 HD13 LEU 61 HD13 LEU 61 -0.395 -18.623 -14.660 422 HD21 LEU 61 HD21 LEU 61 -2.282 -16.008 -13.550 423 HD22 LEU 61 HD22 LEU 61 -3.107 -16.738 -12.173 424 HD23 LEU 61 HD23 LEU 61 -3.381 -17.363 -13.800 425 H ASN 62 HN ASN 62 1.224 -18.925 -12.268 426 HA ASN 62 HA ASN 62 1.275 -19.786 -9.453 427 HB2 ASN 62 HB2 ASN 62 3.364 -18.895 -11.400 428 HB3 ASN 62 HB1 ASN 62 3.638 -18.664 -9.677 429 HD21 ASN 62 HD21 ASN 62 3.633 -20.637 -8.296 430 HD22 ASN 62 HD22 ASN 62 3.972 -22.147 -8.989 431 H VAL 63 HN VAL 63 0.859 -18.387 -7.878 432 HA VAL 63 HA VAL 63 0.806 -15.500 -8.535 433 HB VAL 63 HB VAL 63 -0.988 -17.030 -6.634 434 HG11 VAL 63 HG11 VAL 63 -0.753 -14.907 -5.660 435 HG12 VAL 63 HG12 VAL 63 -2.164 -14.702 -6.695 436 HG13 VAL 63 HG13 VAL 63 -0.591 -14.103 -7.223 437 HG21 VAL 63 HG21 VAL 63 -2.760 -16.438 -8.225 438 HG22 VAL 63 HG22 VAL 63 -1.493 -17.344 -9.052 439 HG23 VAL 63 HG23 VAL 63 -1.591 -15.592 -9.239 440 H SER 64 HN SER 64 2.121 -14.247 -7.335 441 HA SER 64 HA SER 64 2.799 -15.020 -4.605 442 HB2 SER 64 HB2 SER 64 4.503 -16.134 -6.040 443 HB3 SER 64 HB1 SER 64 4.940 -14.558 -6.696 444 HG SER 64 HG SER 64 6.177 -14.393 -5.014 445 H HIS 65 HN HIS 65 4.439 -13.259 -3.749 446 HA HIS 65 HA HIS 65 3.895 -10.621 -4.915 447 HB2 HIS 65 HB2 HIS 65 3.009 -9.705 -2.886 448 HB3 HIS 65 HB1 HIS 65 2.081 -11.165 -3.232 449 HD1 HIS 65 HD1 HIS 65 2.848 -13.371 -1.879 450 HD2 HIS 65 HD2 HIS 65 4.349 -9.757 -0.444 451 HE1 HIS 65 HE1 HIS 65 3.714 -13.830 0.456 452 H GLU 66 HN GLU 66 5.243 -8.912 -3.915 453 HA GLU 66 HA GLU 66 7.736 -10.038 -2.799 454 HB2 GLU 66 HB2 GLU 66 8.038 -9.080 -5.042 455 HB3 GLU 66 HB1 GLU 66 7.328 -7.563 -4.496 456 HG2 GLU 66 HG2 GLU 66 9.769 -7.395 -4.451 457 HG3 GLU 66 HG1 GLU 66 9.135 -7.344 -2.807 458 H ALA 67 HN ALA 67 8.440 -9.246 -0.880 459 HA ALA 67 HA ALA 67 6.870 -7.983 0.946 460 HB1 ALA 67 HB1 ALA 67 9.364 -8.907 1.058 461 HB2 ALA 67 HB2 ALA 67 8.743 -7.781 2.264 462 HB3 ALA 67 HB3 ALA 67 9.743 -7.189 0.939 Start of MODEL 7 1 H MET 1 HT1 MET 1 2.164 -0.820 -1.313 2 HA MET 1 HA MET 1 4.282 -1.038 -1.941 3 HB2 MET 1 HB2 MET 1 6.112 -1.305 -0.362 4 HG2 MET 1 HG2 MET 1 3.934 -1.899 1.666 5 HE1 MET 1 HE1 MET 1 4.794 -3.282 3.464 6 HE2 MET 1 HE2 MET 1 5.434 -2.232 4.725 7 HE3 MET 1 HE3 MET 1 6.487 -3.419 3.960 8 H THR 2 HN THR 2 2.293 -3.090 -1.972 9 HA THR 2 HA THR 2 3.971 -5.515 -1.737 10 HB THR 2 HB THR 2 0.954 -5.290 -1.652 11 HG1 THR 2 HG1 THR 2 2.573 -6.259 0.412 12 HG21 THR 2 HG21 THR 2 1.602 -7.381 -2.669 13 HG22 THR 2 HG22 THR 2 1.144 -7.717 -1.001 14 HG23 THR 2 HG23 THR 2 2.848 -7.644 -1.449 15 H THR 3 HN THR 3 4.475 -6.545 -3.549 16 HA THR 3 HA THR 3 2.952 -5.907 -6.007 17 HB THR 3 HB THR 3 5.890 -6.564 -5.700 18 HG1 THR 3 HG1 THR 3 4.643 -4.205 -6.636 19 HG21 THR 3 HG21 THR 3 4.054 -6.646 -7.974 20 HG22 THR 3 HG22 THR 3 5.686 -7.296 -7.821 21 HG23 THR 3 HG23 THR 3 5.448 -5.602 -8.254 22 H PHE 4 HN PHE 4 2.025 -7.548 -7.039 23 HA PHE 4 HA PHE 4 2.641 -10.277 -6.135 24 HB2 PHE 4 HB2 PHE 4 0.264 -9.128 -7.614 25 HB3 PHE 4 HB1 PHE 4 0.467 -10.832 -7.216 26 HD1 PHE 4 HD1 PHE 4 0.473 -11.589 -4.855 27 HD2 PHE 4 HD2 PHE 4 -0.299 -7.499 -5.917 28 HE1 PHE 4 HE1 PHE 4 -0.440 -11.172 -2.588 29 HE2 PHE 4 HE2 PHE 4 -1.209 -7.082 -3.649 30 HZ PHE 4 HZ PHE 4 -1.280 -8.918 -1.983 31 H THR 5 HN THR 5 3.514 -11.754 -7.485 32 HA THR 5 HA THR 5 3.766 -11.029 -10.343 33 HB THR 5 HB THR 5 5.849 -12.375 -8.604 34 HG1 THR 5 HG1 THR 5 6.571 -10.437 -8.349 35 HG21 THR 5 HG21 THR 5 5.473 -12.091 -11.522 36 HG22 THR 5 HG22 THR 5 6.423 -13.269 -10.618 37 HG23 THR 5 HG23 THR 5 7.079 -11.663 -10.930 38 H SER 6 HN SER 6 3.136 -12.546 -11.751 39 HA SER 6 HA SER 6 2.873 -15.328 -10.806 40 HB2 SER 6 HB2 SER 6 0.807 -13.768 -12.373 41 HB3 SER 6 HB1 SER 6 0.736 -15.501 -12.061 42 HG SER 6 HG SER 6 0.130 -15.101 -10.086 43 H ILE 7 HN ILE 7 2.958 -16.939 -12.472 44 HA ILE 7 HA ILE 7 3.756 -16.079 -15.148 45 HB ILE 7 HB ILE 7 5.803 -16.348 -13.557 46 HG12 ILE 7 HG12 ILE 7 7.087 -17.432 -15.409 47 HG13 ILE 7 HG11 ILE 7 5.559 -17.858 -16.179 48 HG21 ILE 7 HG21 ILE 7 4.844 -18.540 -12.656 49 HG22 ILE 7 HG22 ILE 7 6.538 -18.582 -13.142 50 HG23 ILE 7 HG23 ILE 7 5.302 -19.260 -14.199 51 HD11 ILE 7 HD11 ILE 7 5.635 -15.843 -17.193 52 HD12 ILE 7 HD12 ILE 7 6.968 -15.308 -16.170 53 HD13 ILE 7 HD13 ILE 7 5.303 -15.134 -15.612 54 H VAL 8 HN VAL 8 3.691 -17.917 -16.689 55 HA VAL 8 HA VAL 8 1.627 -19.812 -15.881 56 HB VAL 8 HB VAL 8 2.957 -19.341 -18.559 57 HG11 VAL 8 HG11 VAL 8 1.385 -21.520 -17.598 58 HG12 VAL 8 HG12 VAL 8 1.931 -21.221 -19.248 59 HG13 VAL 8 HG13 VAL 8 0.379 -20.583 -18.704 60 HG21 VAL 8 HG21 VAL 8 1.664 -17.450 -18.328 61 HG22 VAL 8 HG22 VAL 8 0.591 -18.202 -17.146 62 HG23 VAL 8 HG23 VAL 8 0.399 -18.556 -18.864 63 H THR 9 HN THR 9 2.393 -21.442 -14.720 64 HA THR 9 HA THR 9 4.221 -23.329 -15.971 65 HB THR 9 HB THR 9 4.960 -21.652 -13.650 66 HG1 THR 9 HG1 THR 9 6.563 -21.541 -14.974 67 HG21 THR 9 HG21 THR 9 5.427 -24.648 -13.688 68 HG22 THR 9 HG22 THR 9 4.476 -23.753 -12.501 69 HG23 THR 9 HG23 THR 9 6.222 -23.519 -12.592 70 H THR 10 HN THR 10 3.870 -25.479 -15.176 71 HA THR 10 HA THR 10 1.752 -25.610 -13.111 72 HB THR 10 HB THR 10 0.522 -26.376 -14.875 73 HG1 THR 10 HG1 THR 10 1.521 -28.277 -13.451 74 HG21 THR 10 HG21 THR 10 1.786 -26.037 -16.760 75 HG22 THR 10 HG22 THR 10 1.881 -27.796 -16.705 76 HG23 THR 10 HG23 THR 10 3.207 -26.827 -16.075 77 H ASN 11 HN ASN 11 3.248 -25.964 -11.454 78 HA ASN 11 HA ASN 11 4.269 -28.718 -11.340 79 HB2 ASN 11 HB2 ASN 11 6.414 -27.923 -10.415 80 HB3 ASN 11 HB1 ASN 11 6.167 -27.361 -12.067 81 HD21 ASN 11 HD21 ASN 11 4.042 -25.638 -10.120 82 HD22 ASN 11 HD22 ASN 11 4.998 -24.263 -9.846 83 HA PRO 12 HA PRO 12 1.923 -27.113 -7.560 84 HB2 PRO 12 HB2 PRO 12 0.889 -29.898 -7.948 85 HB3 PRO 12 HB1 PRO 12 0.016 -28.432 -7.459 86 HG2 PRO 12 HG2 PRO 12 -0.224 -29.394 -9.916 87 HG3 PRO 12 HG1 PRO 12 -0.146 -27.647 -9.624 88 HD2 PRO 12 HD2 PRO 12 1.964 -29.463 -10.725 89 HD3 PRO 12 HD1 PRO 12 1.629 -27.761 -11.103 90 H ASP 13 HN ASP 13 3.165 -27.291 -5.800 91 HA ASP 13 HA ASP 13 4.505 -29.867 -5.239 92 HB2 ASP 13 HB2 ASP 13 6.108 -28.141 -5.937 93 HB3 ASP 13 HB1 ASP 13 5.535 -27.087 -4.644 94 H PHE 14 HN PHE 14 3.535 -30.798 -3.595 95 HA PHE 14 HA PHE 14 2.067 -29.369 -1.572 96 HB2 PHE 14 HB2 PHE 14 2.899 -32.270 -1.793 97 HB3 PHE 14 HB1 PHE 14 1.870 -31.632 -0.510 98 HD1 PHE 14 HD1 PHE 14 0.626 -29.490 -2.526 99 HD2 PHE 14 HD2 PHE 14 1.073 -33.763 -2.555 100 HE1 PHE 14 HE1 PHE 14 -1.345 -29.687 -4.015 101 HE2 PHE 14 HE2 PHE 14 -0.900 -33.958 -4.044 102 HZ PHE 14 HZ PHE 14 -2.110 -31.920 -4.772 103 H GLY 15 HN GLY 15 5.314 -30.524 -1.936 104 HA2 GLY 15 HA2 GLY 15 6.127 -30.779 0.720 105 HA3 GLY 15 HA1 GLY 15 7.183 -30.367 -0.623 106 H GLY 16 HN GLY 16 5.989 -27.843 -1.311 107 HA2 GLY 16 HA2 GLY 16 6.741 -26.288 1.091 108 HA3 GLY 16 HA1 GLY 16 7.073 -25.775 -0.561 109 H PHE 17 HN PHE 17 5.915 -23.822 0.421 110 HA PHE 17 HA PHE 17 2.990 -24.140 0.320 111 HB2 PHE 17 HB2 PHE 17 2.928 -21.868 1.306 112 HB3 PHE 17 HB1 PHE 17 3.841 -23.001 2.304 113 HD1 PHE 17 HD1 PHE 17 4.049 -20.093 0.060 114 HD2 PHE 17 HD2 PHE 17 6.281 -22.871 2.458 115 HE1 PHE 17 HE1 PHE 17 6.041 -18.625 -0.094 116 HE2 PHE 17 HE2 PHE 17 8.273 -21.404 2.304 117 HZ PHE 17 HZ PHE 17 8.154 -19.281 1.028 118 H GLU 18 HN GLU 18 2.086 -23.804 -1.585 119 HA GLU 18 HA GLU 18 2.726 -21.423 -3.107 120 HB2 GLU 18 HB2 GLU 18 3.112 -24.162 -4.336 121 HB3 GLU 18 HB1 GLU 18 3.191 -22.623 -5.199 122 HG2 GLU 18 HG2 GLU 18 5.061 -21.914 -3.746 123 HG3 GLU 18 HG1 GLU 18 4.991 -23.459 -2.905 124 H PHE 19 HN PHE 19 0.992 -20.741 -4.351 125 HA PHE 19 HA PHE 19 -1.389 -22.495 -4.273 126 HB2 PHE 19 HB2 PHE 19 -1.566 -20.448 -2.870 127 HB3 PHE 19 HB1 PHE 19 -1.299 -19.472 -4.316 128 HD1 PHE 19 HD1 PHE 19 -3.597 -21.860 -2.666 129 HD2 PHE 19 HD2 PHE 19 -3.041 -19.170 -5.971 130 HE1 PHE 19 HE1 PHE 19 -6.007 -22.040 -3.219 131 HE2 PHE 19 HE2 PHE 19 -5.453 -19.353 -6.521 132 HZ PHE 19 HZ PHE 19 -6.935 -20.786 -5.146 133 H TYR 20 HN TYR 20 -2.274 -23.041 -6.172 134 HA TYR 20 HA TYR 20 -1.578 -21.439 -8.560 135 HB2 TYR 20 HB2 TYR 20 -1.708 -24.459 -8.386 136 HB3 TYR 20 HB1 TYR 20 -1.456 -23.529 -9.862 137 HD1 TYR 20 HD1 TYR 20 0.608 -22.128 -10.117 138 HD2 TYR 20 HD2 TYR 20 0.067 -24.842 -6.832 139 HE1 TYR 20 HE1 TYR 20 3.043 -22.053 -9.653 140 HE2 TYR 20 HE2 TYR 20 2.501 -24.766 -6.366 141 HH TYR 20 HH TYR 20 4.692 -22.791 -8.379 142 H VAL 21 HN VAL 21 -3.222 -21.089 -10.010 143 HA VAL 21 HA VAL 21 -5.900 -21.919 -9.146 144 HB VAL 21 HB VAL 21 -4.995 -19.922 -11.240 145 HG11 VAL 21 HG11 VAL 21 -7.347 -19.320 -11.425 146 HG12 VAL 21 HG12 VAL 21 -7.782 -20.500 -10.188 147 HG13 VAL 21 HG13 VAL 21 -7.177 -21.045 -11.751 148 HG21 VAL 21 HG21 VAL 21 -5.764 -18.250 -9.655 149 HG22 VAL 21 HG22 VAL 21 -4.631 -19.313 -8.821 150 HG23 VAL 21 HG23 VAL 21 -6.367 -19.500 -8.567 151 H GLU 22 HN GLU 22 -6.800 -23.662 -10.032 152 HA GLU 22 HA GLU 22 -5.654 -24.995 -12.286 153 HB2 GLU 22 HB2 GLU 22 -8.303 -25.394 -10.872 154 HB3 GLU 22 HB1 GLU 22 -7.638 -26.484 -12.090 155 HG2 GLU 22 HG2 GLU 22 -6.854 -27.511 -10.169 156 HG3 GLU 22 HG1 GLU 22 -5.512 -26.418 -10.504 157 H ALA 23 HN ALA 23 -6.349 -25.079 -14.402 158 HA ALA 23 HA ALA 23 -7.423 -22.853 -15.602 159 HB1 ALA 23 HB1 ALA 23 -8.180 -25.425 -16.862 160 HB2 ALA 23 HB2 ALA 23 -6.460 -25.203 -16.539 161 HB3 ALA 23 HB3 ALA 23 -7.326 -24.042 -17.546 162 H GLY 24 HN GLY 24 -9.369 -21.950 -15.685 163 HA2 GLY 24 HA2 GLY 24 -11.674 -21.721 -15.675 164 HA3 GLY 24 HA1 GLY 24 -11.808 -23.477 -15.669 165 H GLN 25 HN GLN 25 -9.736 -22.268 -13.251 166 HA GLN 25 HA GLN 25 -11.828 -22.730 -11.220 167 HB2 GLN 25 HB2 GLN 25 -9.828 -24.226 -11.179 168 HB3 GLN 25 HB1 GLN 25 -8.821 -22.808 -10.880 169 HG2 GLN 25 HG2 GLN 25 -9.368 -23.910 -8.758 170 HG3 GLN 25 HG1 GLN 25 -10.138 -22.325 -8.835 171 HE21 GLN 25 HE21 GLN 25 -12.221 -22.449 -8.005 172 HE22 GLN 25 HE22 GLN 25 -13.288 -23.748 -8.240 173 H GLN 26 HN GLN 26 -12.443 -21.109 -9.920 174 HA GLN 26 HA GLN 26 -11.452 -18.456 -10.378 175 HB2 GLN 26 HB2 GLN 26 -13.817 -18.903 -9.828 176 HB3 GLN 26 HB1 GLN 26 -13.327 -19.470 -8.232 177 HG2 GLN 26 HG2 GLN 26 -12.372 -17.271 -7.718 178 HG3 GLN 26 HG1 GLN 26 -12.796 -16.695 -9.330 179 HE21 GLN 26 HE21 GLN 26 -13.906 -15.206 -7.349 180 HE22 GLN 26 HE22 GLN 26 -15.548 -15.577 -7.134 181 H PHE 27 HN PHE 27 -9.837 -17.465 -9.409 182 HA PHE 27 HA PHE 27 -8.193 -18.715 -7.463 183 HB2 PHE 27 HB2 PHE 27 -7.270 -17.067 -8.981 184 HB3 PHE 27 HB1 PHE 27 -8.372 -15.835 -8.369 185 HD1 PHE 27 HD1 PHE 27 -5.541 -18.061 -7.419 186 HD2 PHE 27 HD2 PHE 27 -7.874 -14.607 -6.393 187 HE1 PHE 27 HE1 PHE 27 -3.919 -17.500 -5.629 188 HE2 PHE 27 HE2 PHE 27 -6.253 -14.044 -4.603 189 HZ PHE 27 HZ PHE 27 -4.275 -15.490 -4.220 190 H ASP 28 HN ASP 28 -8.407 -18.853 -5.345 191 HA ASP 28 HA ASP 28 -10.542 -17.389 -4.017 192 HB2 ASP 28 HB2 ASP 28 -8.649 -19.573 -3.143 193 HB3 ASP 28 HB1 ASP 28 -9.780 -18.793 -2.044 194 H ASP 29 HN ASP 29 -10.039 -15.333 -3.546 195 HA ASP 29 HA ASP 29 -7.399 -14.439 -2.929 196 HB2 ASP 29 HB2 ASP 29 -8.493 -12.295 -2.419 197 HB3 ASP 29 HB1 ASP 29 -9.060 -12.956 -3.951 198 H SER 30 HN SER 30 -10.077 -15.629 -1.029 199 HA SER 30 HA SER 30 -9.323 -14.530 1.471 200 HB2 SER 30 HB2 SER 30 -10.871 -17.035 0.791 201 HB3 SER 30 HB1 SER 30 -10.709 -16.380 2.418 202 HG SER 30 HG SER 30 -12.386 -15.653 0.470 203 H ALA 31 HN ALA 31 -8.548 -17.634 -0.100 204 HA ALA 31 HA ALA 31 -7.074 -18.720 2.047 205 HB1 ALA 31 HB1 ALA 31 -6.590 -19.285 -0.879 206 HB2 ALA 31 HB2 ALA 31 -7.965 -19.943 0.009 207 HB3 ALA 31 HB3 ALA 31 -6.321 -20.360 0.492 208 H TYR 32 HN TYR 32 -6.094 -16.757 -0.737 209 HA TYR 32 HA TYR 32 -3.312 -16.923 -0.356 210 HB2 TYR 32 HB2 TYR 32 -4.339 -16.013 -2.402 211 HB3 TYR 32 HB1 TYR 32 -4.912 -14.617 -1.487 212 HD1 TYR 32 HD1 TYR 32 -1.948 -16.330 -2.851 213 HD2 TYR 32 HD2 TYR 32 -3.369 -12.903 -0.690 214 HE1 TYR 32 HE1 TYR 32 0.252 -15.227 -3.155 215 HE2 TYR 32 HE2 TYR 32 -1.172 -11.797 -0.997 216 HH TYR 32 HH TYR 32 1.136 -12.877 -3.197 217 H GLU 33 HN GLU 33 -5.654 -14.507 0.804 218 HA GLU 33 HA GLU 33 -3.713 -12.996 2.252 219 HB2 GLU 33 HB2 GLU 33 -5.596 -11.824 3.218 220 HB3 GLU 33 HB1 GLU 33 -5.924 -12.097 1.506 221 HG2 GLU 33 HG2 GLU 33 -7.255 -14.102 2.098 222 HG3 GLU 33 HG1 GLU 33 -6.965 -13.774 3.806 223 H GLU 34 HN GLU 34 -5.720 -15.763 2.998 224 HA GLU 34 HA GLU 34 -5.517 -15.688 5.809 225 HB2 GLU 34 HB2 GLU 34 -7.091 -17.162 4.649 226 HB3 GLU 34 HB1 GLU 34 -5.747 -18.088 3.978 227 HG2 GLU 34 HG2 GLU 34 -6.634 -19.232 5.952 228 HG3 GLU 34 HG1 GLU 34 -5.007 -18.642 6.284 229 H ALA 35 HN ALA 35 -3.502 -17.435 3.414 230 HA ALA 35 HA ALA 35 -1.655 -18.371 5.398 231 HB1 ALA 35 HB1 ALA 35 -1.809 -19.690 3.442 232 HB2 ALA 35 HB2 ALA 35 -0.248 -18.882 3.318 233 HB3 ALA 35 HB3 ALA 35 -1.623 -18.292 2.384 234 H TYR 36 HN TYR 36 -1.545 -15.832 2.924 235 HA TYR 36 HA TYR 36 1.049 -14.891 3.732 236 HB2 TYR 36 HB2 TYR 36 -1.057 -13.760 1.886 237 HB3 TYR 36 HB1 TYR 36 0.497 -12.976 2.177 238 HD1 TYR 36 HD1 TYR 36 2.632 -14.357 1.782 239 HD2 TYR 36 HD2 TYR 36 -1.233 -15.521 0.315 240 HE1 TYR 36 HE1 TYR 36 3.709 -15.866 0.135 241 HE2 TYR 36 HE2 TYR 36 -0.156 -17.030 -1.329 242 HH TYR 36 HH TYR 36 3.315 -17.620 -1.283 243 H GLY 37 HN GLY 37 -2.197 -14.269 4.698 244 HA2 GLY 37 HA2 GLY 37 -2.983 -13.053 6.503 245 HA3 GLY 37 HA1 GLY 37 -1.325 -12.581 6.855 246 H VAL 38 HN VAL 38 -2.332 -12.020 3.626 247 HA VAL 38 HA VAL 38 -2.943 -9.199 4.266 248 HB VAL 38 HB VAL 38 -1.636 -8.534 2.263 249 HG11 VAL 38 HG11 VAL 38 0.241 -8.327 3.535 250 HG12 VAL 38 HG12 VAL 38 0.363 -10.067 3.806 251 HG13 VAL 38 HG13 VAL 38 -0.734 -9.094 4.787 252 HG21 VAL 38 HG21 VAL 38 -0.013 -10.908 2.073 253 HG22 VAL 38 HG22 VAL 38 -0.921 -10.092 0.800 254 HG23 VAL 38 HG23 VAL 38 -1.701 -11.332 1.782 255 H SER 39 HN SER 39 -4.561 -8.293 3.155 256 HA SER 39 HA SER 39 -6.417 -9.912 1.767 257 HB2 SER 39 HB2 SER 39 -6.179 -6.900 1.914 258 HB3 SER 39 HB1 SER 39 -7.568 -7.767 1.264 259 HG SER 39 HG SER 39 -6.699 -7.454 3.882 260 H VAL 40 HN VAL 40 -6.947 -10.078 -0.377 261 HA VAL 40 HA VAL 40 -4.903 -9.126 -2.289 262 HB VAL 40 HB VAL 40 -6.840 -11.443 -2.520 263 HG11 VAL 40 HG11 VAL 40 -4.488 -11.119 -4.310 264 HG12 VAL 40 HG12 VAL 40 -5.841 -10.020 -4.584 265 HG13 VAL 40 HG13 VAL 40 -6.090 -11.765 -4.664 266 HG21 VAL 40 HG21 VAL 40 -4.398 -12.555 -2.605 267 HG22 VAL 40 HG22 VAL 40 -5.258 -12.301 -1.085 268 HG23 VAL 40 HG23 VAL 40 -4.019 -11.155 -1.599 269 HA PRO 41 HA PRO 41 -8.171 -6.423 -3.688 270 HB2 PRO 41 HB2 PRO 41 -6.832 -5.452 -5.880 271 HB3 PRO 41 HB1 PRO 41 -6.544 -4.890 -4.222 272 HG2 PRO 41 HG2 PRO 41 -4.999 -6.856 -5.850 273 HG3 PRO 41 HG1 PRO 41 -4.412 -5.573 -4.776 274 HD2 PRO 41 HD2 PRO 41 -4.482 -8.173 -3.998 275 HD3 PRO 41 HD1 PRO 41 -4.753 -6.839 -2.853 276 H SER 42 HN SER 42 -9.799 -6.522 -5.196 277 HA SER 42 HA SER 42 -10.256 -8.905 -6.587 278 HB2 SER 42 HB2 SER 42 -11.516 -6.177 -6.898 279 HB3 SER 42 HB1 SER 42 -12.126 -7.639 -7.669 280 HG SER 42 HG SER 42 -12.718 -8.417 -5.755 281 H ALA 43 HN ALA 43 -8.947 -5.808 -7.720 282 HA ALA 43 HA ALA 43 -9.069 -6.317 -10.476 283 HB1 ALA 43 HB1 ALA 43 -8.513 -4.117 -9.931 284 HB2 ALA 43 HB2 ALA 43 -6.967 -4.768 -10.480 285 HB3 ALA 43 HB3 ALA 43 -7.294 -4.611 -8.754 286 H VAL 44 HN VAL 44 -6.567 -7.135 -8.084 287 HA VAL 44 HA VAL 44 -4.749 -8.278 -9.958 288 HB VAL 44 HB VAL 44 -5.090 -8.661 -6.976 289 HG11 VAL 44 HG11 VAL 44 -2.532 -9.419 -7.529 290 HG12 VAL 44 HG12 VAL 44 -3.365 -10.023 -8.962 291 HG13 VAL 44 HG13 VAL 44 -3.871 -10.554 -7.358 292 HG21 VAL 44 HG21 VAL 44 -3.115 -7.217 -6.859 293 HG22 VAL 44 HG22 VAL 44 -4.381 -6.409 -7.782 294 HG23 VAL 44 HG23 VAL 44 -3.025 -7.163 -8.620 295 H VAL 45 HN VAL 45 -7.297 -9.588 -7.890 296 HA VAL 45 HA VAL 45 -6.923 -12.321 -8.462 297 HB VAL 45 HB VAL 45 -9.359 -10.760 -7.592 298 HG11 VAL 45 HG11 VAL 45 -9.213 -13.409 -8.652 299 HG12 VAL 45 HG12 VAL 45 -10.603 -12.602 -7.927 300 HG13 VAL 45 HG13 VAL 45 -9.499 -13.534 -6.916 301 HG21 VAL 45 HG21 VAL 45 -7.423 -12.586 -6.131 302 HG22 VAL 45 HG22 VAL 45 -8.820 -11.788 -5.408 303 HG23 VAL 45 HG23 VAL 45 -7.468 -10.828 -6.006 304 H GLU 46 HN GLU 46 -8.945 -9.853 -10.067 305 HA GLU 46 HA GLU 46 -10.320 -11.616 -11.776 306 HB2 GLU 46 HB2 GLU 46 -9.557 -8.707 -12.084 307 HB3 GLU 46 HB1 GLU 46 -10.581 -9.564 -13.238 308 HG2 GLU 46 HG2 GLU 46 -12.214 -10.050 -11.514 309 HG3 GLU 46 HG1 GLU 46 -11.161 -9.378 -10.271 310 H GLU 47 HN GLU 47 -7.265 -9.829 -12.248 311 HA GLU 47 HA GLU 47 -6.798 -10.677 -14.887 312 HB2 GLU 47 HB2 GLU 47 -4.902 -9.858 -12.679 313 HB3 GLU 47 HB1 GLU 47 -4.378 -10.186 -14.330 314 HG2 GLU 47 HG2 GLU 47 -5.805 -8.430 -15.196 315 HG3 GLU 47 HG1 GLU 47 -6.524 -8.173 -13.607 316 H MET 48 HN MET 48 -5.935 -12.122 -11.766 317 HA MET 48 HA MET 48 -4.375 -14.249 -12.813 318 HB2 MET 48 HB2 MET 48 -5.948 -14.001 -10.236 319 HB3 MET 48 HB1 MET 48 -4.829 -15.317 -10.595 320 HG2 MET 48 HG2 MET 48 -4.106 -12.373 -10.533 321 HG3 MET 48 HG1 MET 48 -3.726 -13.545 -9.272 322 HE1 MET 48 HE1 MET 48 -0.899 -12.892 -9.638 323 HE2 MET 48 HE2 MET 48 -1.893 -11.679 -10.444 324 HE3 MET 48 HE3 MET 48 -0.522 -12.388 -11.292 325 H ASN 49 HN ASN 49 -7.795 -13.871 -12.055 326 HA ASN 49 HA ASN 49 -8.578 -16.553 -12.575 327 HB2 ASN 49 HB2 ASN 49 -10.099 -13.944 -12.564 328 HB3 ASN 49 HB1 ASN 49 -10.873 -15.500 -12.854 329 HD21 ASN 49 HD21 ASN 49 -11.462 -13.855 -10.540 330 HD22 ASN 49 HD22 ASN 49 -10.943 -14.703 -9.165 331 H ALA 50 HN ALA 50 -8.330 -13.656 -14.563 332 HA ALA 50 HA ALA 50 -9.585 -14.645 -16.886 333 HB1 ALA 50 HB1 ALA 50 -8.223 -12.886 -18.064 334 HB2 ALA 50 HB2 ALA 50 -7.422 -12.563 -16.527 335 HB3 ALA 50 HB3 ALA 50 -9.156 -12.287 -16.693 336 H LYS 51 HN LYS 51 -6.211 -14.751 -15.804 337 HA LYS 51 HA LYS 51 -5.120 -15.905 -18.130 338 HB2 LYS 51 HB2 LYS 51 -4.261 -16.044 -15.235 339 HB3 LYS 51 HB1 LYS 51 -3.306 -16.707 -16.561 340 HG2 LYS 51 HG2 LYS 51 -3.237 -14.484 -17.629 341 HG3 LYS 51 HG1 LYS 51 -4.191 -13.816 -16.302 342 HD2 LYS 51 HD2 LYS 51 -2.418 -14.441 -14.706 343 HD3 LYS 51 HD1 LYS 51 -1.462 -15.113 -16.028 344 HE2 LYS 51 HE2 LYS 51 -1.378 -12.896 -17.102 345 HE3 LYS 51 HE1 LYS 51 -2.340 -12.219 -15.788 346 HZ1 LYS 51 HZ1 LYS 51 0.226 -13.616 -15.315 347 HZ2 LYS 51 HZ2 LYS 51 -0.631 -12.604 -14.253 348 HZ3 LYS 51 HZ3 LYS 51 0.146 -11.948 -15.615 349 H ALA 52 HN ALA 52 -6.543 -17.364 -15.222 350 HA ALA 52 HA ALA 52 -5.962 -20.049 -15.811 351 HB1 ALA 52 HB1 ALA 52 -8.531 -19.421 -14.461 352 HB2 ALA 52 HB2 ALA 52 -7.065 -18.804 -13.701 353 HB3 ALA 52 HB3 ALA 52 -7.249 -20.535 -13.986 354 H ALA 53 HN ALA 53 -8.591 -17.933 -16.818 355 HA ALA 53 HA ALA 53 -10.297 -19.878 -17.928 356 HB1 ALA 53 HB1 ALA 53 -11.541 -18.105 -18.624 357 HB2 ALA 53 HB2 ALA 53 -10.147 -17.253 -19.286 358 HB3 ALA 53 HB3 ALA 53 -10.470 -17.205 -17.552 359 H GLN 54 HN GLN 54 -7.510 -18.153 -19.239 360 HA GLN 54 HA GLN 54 -7.879 -19.319 -21.884 361 HB2 GLN 54 HB2 GLN 54 -5.750 -17.523 -20.708 362 HB3 GLN 54 HB1 GLN 54 -5.711 -18.125 -22.367 363 HG2 GLN 54 HG2 GLN 54 -7.804 -17.035 -22.883 364 HG3 GLN 54 HG1 GLN 54 -8.045 -16.590 -21.195 365 HE21 GLN 54 HE21 GLN 54 -7.786 -14.772 -23.572 366 HE22 GLN 54 HE22 GLN 54 -6.472 -13.756 -23.220 367 H LEU 55 HN LEU 55 -6.394 -20.191 -18.950 368 HA LEU 55 HA LEU 55 -4.194 -21.682 -20.004 369 HB2 LEU 55 HB2 LEU 55 -5.586 -21.658 -17.334 370 HB3 LEU 55 HB1 LEU 55 -4.266 -22.770 -17.689 371 HG LEU 55 HG LEU 55 -4.043 -19.780 -18.090 372 HD11 LEU 55 HD11 LEU 55 -2.477 -20.628 -15.890 373 HD12 LEU 55 HD12 LEU 55 -4.090 -21.293 -15.633 374 HD13 LEU 55 HD13 LEU 55 -3.877 -19.557 -15.852 375 HD21 LEU 55 HD21 LEU 55 -1.552 -20.850 -17.584 376 HD22 LEU 55 HD22 LEU 55 -2.199 -20.518 -19.190 377 HD23 LEU 55 HD23 LEU 55 -2.334 -22.136 -18.502 378 H LYS 56 HN LYS 56 -4.036 -23.723 -20.635 379 HA LYS 56 HA LYS 56 -6.504 -25.274 -20.943 380 HB2 LYS 56 HB2 LYS 56 -3.725 -25.689 -22.076 381 HB3 LYS 56 HB1 LYS 56 -5.129 -26.694 -22.439 382 HG2 LYS 56 HG2 LYS 56 -6.302 -24.778 -23.394 383 HG3 LYS 56 HG1 LYS 56 -4.971 -23.710 -22.949 384 HD2 LYS 56 HD2 LYS 56 -4.712 -24.267 -25.287 385 HD3 LYS 56 HD1 LYS 56 -3.458 -25.125 -24.388 386 HE2 LYS 56 HE2 LYS 56 -4.807 -27.169 -24.405 387 HE3 LYS 56 HE1 LYS 56 -6.116 -26.323 -25.230 388 HZ1 LYS 56 HZ1 LYS 56 -3.487 -27.137 -26.261 389 HZ2 LYS 56 HZ2 LYS 56 -4.257 -25.780 -26.935 390 HZ3 LYS 56 HZ3 LYS 56 -5.018 -27.300 -26.971 391 H ASP 57 HN ASP 57 -6.264 -27.708 -20.596 392 HA ASP 57 HA ASP 57 -5.646 -28.222 -17.904 393 HB2 ASP 57 HB2 ASP 57 -5.996 -30.565 -18.442 394 HB3 ASP 57 HB1 ASP 57 -7.190 -29.593 -19.302 395 H GLY 58 HN GLY 58 -3.957 -29.530 -16.990 396 HA2 GLY 58 HA2 GLY 58 -1.809 -30.411 -16.838 397 HA3 GLY 58 HA1 GLY 58 -1.609 -30.144 -18.569 398 H GLU 59 HN GLU 59 -2.792 -27.389 -17.052 399 HA GLU 59 HA GLU 59 -0.085 -26.278 -16.652 400 HB2 GLU 59 HB2 GLU 59 -2.362 -25.056 -18.212 401 HB3 GLU 59 HB1 GLU 59 -0.963 -24.134 -17.657 402 HG2 GLU 59 HG2 GLU 59 0.545 -25.561 -18.910 403 HG3 GLU 59 HG1 GLU 59 -0.780 -26.632 -19.361 404 H TRP 60 HN TRP 60 0.066 -24.543 -15.164 405 HA TRP 60 HA TRP 60 -2.330 -23.987 -13.557 406 HB2 TRP 60 HB2 TRP 60 0.323 -24.729 -12.311 407 HB3 TRP 60 HB1 TRP 60 -1.198 -24.412 -11.480 408 HD1 TRP 60 HD1 TRP 60 0.827 -27.177 -12.601 409 HE1 TRP 60 HE1 TRP 60 -0.545 -29.350 -12.817 410 HE3 TRP 60 HE3 TRP 60 -3.898 -25.254 -12.429 411 HZ2 TRP 60 HZ2 TRP 60 -3.285 -30.163 -12.907 412 HZ3 TRP 60 HZ3 TRP 60 -5.869 -26.748 -12.583 413 HH2 TRP 60 HH2 TRP 60 -5.570 -29.197 -12.822 414 H LEU 61 HN LEU 61 -2.213 -22.033 -12.377 415 HA LEU 61 HA LEU 61 -0.264 -20.130 -13.494 416 HB2 LEU 61 HB2 LEU 61 -2.664 -19.575 -13.748 417 HB3 LEU 61 HB1 LEU 61 -2.847 -19.611 -11.994 418 HG LEU 61 HG LEU 61 -1.175 -17.808 -11.781 419 HD11 LEU 61 HD11 LEU 61 -1.102 -16.891 -14.487 420 HD12 LEU 61 HD12 LEU 61 -0.618 -18.588 -14.481 421 HD13 LEU 61 HD13 LEU 61 0.250 -17.420 -13.483 422 HD21 LEU 61 HD21 LEU 61 -2.580 -16.109 -13.314 423 HD22 LEU 61 HD22 LEU 61 -3.255 -16.803 -11.839 424 HD23 LEU 61 HD23 LEU 61 -3.663 -17.498 -13.407 425 H ASN 62 HN ASN 62 1.109 -18.934 -12.173 426 HA ASN 62 HA ASN 62 1.240 -19.854 -9.373 427 HB2 ASN 62 HB2 ASN 62 3.241 -20.334 -10.704 428 HB3 ASN 62 HB1 ASN 62 3.375 -18.632 -11.138 429 HD21 ASN 62 HD21 ASN 62 3.547 -20.875 -8.356 430 HD22 ASN 62 HD22 ASN 62 4.463 -19.835 -7.377 431 H VAL 63 HN VAL 63 0.731 -18.449 -7.813 432 HA VAL 63 HA VAL 63 0.762 -15.562 -8.469 433 HB VAL 63 HB VAL 63 -1.023 -17.056 -6.530 434 HG11 VAL 63 HG11 VAL 63 -0.204 -14.569 -6.108 435 HG12 VAL 63 HG12 VAL 63 -1.892 -15.013 -5.856 436 HG13 VAL 63 HG13 VAL 63 -1.408 -14.199 -7.343 437 HG21 VAL 63 HG21 VAL 63 -2.124 -15.475 -8.783 438 HG22 VAL 63 HG22 VAL 63 -2.645 -17.033 -8.142 439 HG23 VAL 63 HG23 VAL 63 -1.269 -16.948 -9.241 440 H SER 64 HN SER 64 2.213 -14.390 -7.362 441 HA SER 64 HA SER 64 2.928 -15.184 -4.631 442 HB2 SER 64 HB2 SER 64 4.943 -14.675 -6.833 443 HB3 SER 64 HB1 SER 64 5.330 -14.890 -5.128 444 HG SER 64 HG SER 64 4.578 -16.734 -7.048 445 H HIS 65 HN HIS 65 4.483 -13.399 -3.722 446 HA HIS 65 HA HIS 65 3.845 -10.755 -4.827 447 HB2 HIS 65 HB2 HIS 65 2.998 -9.902 -2.756 448 HB3 HIS 65 HB1 HIS 65 2.100 -11.382 -3.099 449 HD1 HIS 65 HD1 HIS 65 2.976 -13.587 -1.808 450 HD2 HIS 65 HD2 HIS 65 4.412 -9.951 -0.362 451 HE1 HIS 65 HE1 HIS 65 3.934 -14.056 0.491 452 H GLU 66 HN GLU 66 5.185 -9.030 -3.852 453 HA GLU 66 HA GLU 66 7.736 -10.112 -2.837 454 HB2 GLU 66 HB2 GLU 66 7.911 -9.139 -5.095 455 HB3 GLU 66 HB1 GLU 66 7.254 -7.621 -4.486 456 HG2 GLU 66 HG2 GLU 66 9.148 -7.398 -2.941 457 HG3 GLU 66 HG1 GLU 66 9.796 -8.940 -3.494 458 H ALA 67 HN ALA 67 8.522 -9.298 -0.960 459 HA ALA 67 HA ALA 67 8.007 -6.735 0.072 460 HB1 ALA 67 HB1 ALA 67 6.435 -7.230 1.870 461 HB2 ALA 67 HB2 ALA 67 6.317 -8.907 1.336 462 HB3 ALA 67 HB3 ALA 67 5.697 -7.610 0.314 Start of MODEL 8 1 H MET 1 HT1 MET 1 4.466 -1.287 0.394 2 HA MET 1 HA MET 1 2.371 -1.220 -0.695 3 HB2 MET 1 HB2 MET 1 4.075 -0.799 -3.163 4 HG2 MET 1 HG2 MET 1 1.765 0.758 -1.960 5 HE1 MET 1 HE1 MET 1 2.503 3.929 -4.009 6 HE2 MET 1 HE2 MET 1 2.240 3.234 -2.412 7 HE3 MET 1 HE3 MET 1 0.948 3.186 -3.609 8 H THR 2 HN THR 2 1.561 -3.017 -2.349 9 HA THR 2 HA THR 2 3.221 -5.418 -1.862 10 HB THR 2 HB THR 2 0.208 -5.200 -2.077 11 HG1 THR 2 HG1 THR 2 2.036 -5.486 0.049 12 HG21 THR 2 HG21 THR 2 0.496 -7.360 -2.765 13 HG22 THR 2 HG22 THR 2 0.725 -7.649 -1.041 14 HG23 THR 2 HG23 THR 2 2.125 -7.462 -2.097 15 H THR 3 HN THR 3 3.895 -6.516 -3.589 16 HA THR 3 HA THR 3 2.612 -5.953 -6.199 17 HB THR 3 HB THR 3 5.510 -6.580 -5.599 18 HG1 THR 3 HG1 THR 3 4.039 -4.270 -6.129 19 HG21 THR 3 HG21 THR 3 5.492 -5.780 -8.161 20 HG22 THR 3 HG22 THR 3 3.892 -6.519 -8.092 21 HG23 THR 3 HG23 THR 3 5.323 -7.474 -7.698 22 H PHE 4 HN PHE 4 1.794 -7.627 -7.271 23 HA PHE 4 HA PHE 4 2.307 -10.324 -6.227 24 HB2 PHE 4 HB2 PHE 4 0.139 -9.226 -8.030 25 HB3 PHE 4 HB1 PHE 4 0.285 -10.916 -7.559 26 HD1 PHE 4 HD1 PHE 4 -0.036 -11.614 -5.211 27 HD2 PHE 4 HD2 PHE 4 -0.592 -7.538 -6.450 28 HE1 PHE 4 HE1 PHE 4 -1.224 -11.129 -3.089 29 HE2 PHE 4 HE2 PHE 4 -1.780 -7.055 -4.329 30 HZ PHE 4 HZ PHE 4 -2.096 -8.851 -2.647 31 H THR 5 HN THR 5 3.305 -11.857 -7.420 32 HA THR 5 HA THR 5 3.956 -11.207 -10.230 33 HB THR 5 HB THR 5 5.737 -12.575 -8.200 34 HG1 THR 5 HG1 THR 5 5.370 -10.169 -8.249 35 HG21 THR 5 HG21 THR 5 6.072 -11.944 -11.140 36 HG22 THR 5 HG22 THR 5 6.128 -13.530 -10.372 37 HG23 THR 5 HG23 THR 5 7.418 -12.363 -10.080 38 H SER 6 HN SER 6 3.519 -12.760 -11.695 39 HA SER 6 HA SER 6 3.099 -15.519 -10.757 40 HB2 SER 6 HB2 SER 6 1.021 -15.700 -12.025 41 HB3 SER 6 HB1 SER 6 0.887 -14.408 -10.834 42 HG SER 6 HG SER 6 1.796 -13.142 -12.799 43 H ILE 7 HN ILE 7 3.299 -17.123 -12.405 44 HA ILE 7 HA ILE 7 4.257 -16.275 -15.034 45 HB ILE 7 HB ILE 7 5.823 -18.174 -13.264 46 HG12 ILE 7 HG12 ILE 7 5.996 -15.837 -12.466 47 HG13 ILE 7 HG11 ILE 7 7.516 -16.380 -13.177 48 HG21 ILE 7 HG21 ILE 7 6.226 -17.045 -16.045 49 HG22 ILE 7 HG22 ILE 7 6.106 -18.740 -15.574 50 HG23 ILE 7 HG23 ILE 7 7.527 -17.798 -15.123 51 HD11 ILE 7 HD11 ILE 7 5.795 -15.243 -15.212 52 HD12 ILE 7 HD12 ILE 7 7.429 -14.769 -14.746 53 HD13 ILE 7 HD13 ILE 7 6.039 -14.095 -13.895 54 H VAL 8 HN VAL 8 3.935 -17.938 -16.640 55 HA VAL 8 HA VAL 8 1.948 -19.901 -15.850 56 HB VAL 8 HB VAL 8 1.702 -18.694 -17.974 57 HG11 VAL 8 HG11 VAL 8 4.456 -19.101 -18.156 58 HG12 VAL 8 HG12 VAL 8 3.420 -18.413 -19.407 59 HG13 VAL 8 HG13 VAL 8 3.781 -20.139 -19.412 60 HG21 VAL 8 HG21 VAL 8 1.663 -21.542 -17.614 61 HG22 VAL 8 HG22 VAL 8 2.168 -21.190 -19.266 62 HG23 VAL 8 HG23 VAL 8 0.638 -20.559 -18.658 63 H THR 9 HN THR 9 2.707 -21.592 -14.793 64 HA THR 9 HA THR 9 4.606 -23.368 -16.100 65 HB THR 9 HB THR 9 5.244 -21.772 -13.699 66 HG1 THR 9 HG1 THR 9 7.051 -23.385 -15.063 67 HG21 THR 9 HG21 THR 9 5.321 -24.761 -13.703 68 HG22 THR 9 HG22 THR 9 5.003 -23.649 -12.372 69 HG23 THR 9 HG23 THR 9 6.655 -23.888 -12.948 70 H THR 10 HN THR 10 4.183 -25.566 -15.498 71 HA THR 10 HA THR 10 1.976 -25.770 -13.533 72 HB THR 10 HB THR 10 2.443 -27.576 -15.906 73 HG1 THR 10 HG1 THR 10 1.201 -26.269 -17.009 74 HG21 THR 10 HG21 THR 10 -0.084 -27.197 -14.321 75 HG22 THR 10 HG22 THR 10 1.155 -28.339 -13.794 76 HG23 THR 10 HG23 THR 10 0.372 -28.546 -15.361 77 H ASN 11 HN ASN 11 3.310 -26.196 -11.805 78 HA ASN 11 HA ASN 11 4.286 -28.962 -11.666 79 HB2 ASN 11 HB2 ASN 11 5.896 -26.522 -10.898 80 HB3 ASN 11 HB1 ASN 11 6.322 -28.173 -10.450 81 HD21 ASN 11 HD21 ASN 11 6.459 -25.831 -12.998 82 HD22 ASN 11 HD22 ASN 11 7.138 -26.843 -14.178 83 HA PRO 12 HA PRO 12 1.602 -27.636 -8.114 84 HB2 PRO 12 HB2 PRO 12 0.466 -30.176 -7.940 85 HB3 PRO 12 HB1 PRO 12 -0.232 -28.802 -8.817 86 HG2 PRO 12 HG2 PRO 12 1.321 -31.116 -9.848 87 HG3 PRO 12 HG1 PRO 12 -0.032 -30.240 -10.585 88 HD2 PRO 12 HD2 PRO 12 2.535 -29.862 -11.392 89 HD3 PRO 12 HD1 PRO 12 1.339 -28.547 -11.414 90 H ASP 13 HN ASP 13 2.861 -27.570 -6.375 91 HA ASP 13 HA ASP 13 4.108 -30.072 -5.407 92 HB2 ASP 13 HB2 ASP 13 5.180 -27.248 -5.355 93 HB3 ASP 13 HB1 ASP 13 5.849 -28.548 -4.371 94 H PHE 14 HN PHE 14 3.754 -30.610 -3.305 95 HA PHE 14 HA PHE 14 2.070 -28.756 -1.737 96 HB2 PHE 14 HB2 PHE 14 2.384 -31.761 -1.529 97 HB3 PHE 14 HB1 PHE 14 1.352 -30.773 -0.494 98 HD1 PHE 14 HD1 PHE 14 1.775 -32.249 -3.817 99 HD2 PHE 14 HD2 PHE 14 -0.625 -29.608 -1.426 100 HE1 PHE 14 HE1 PHE 14 -0.026 -32.347 -5.518 101 HE2 PHE 14 HE2 PHE 14 -2.427 -29.707 -3.127 102 HZ PHE 14 HZ PHE 14 -2.128 -31.076 -5.173 103 H GLY 15 HN GLY 15 5.139 -30.268 -1.894 104 HA2 GLY 15 HA2 GLY 15 5.815 -30.510 0.816 105 HA3 GLY 15 HA1 GLY 15 6.961 -30.260 -0.496 106 H GLY 16 HN GLY 16 6.039 -27.714 -1.375 107 HA2 GLY 16 HA2 GLY 16 6.923 -26.065 0.909 108 HA3 GLY 16 HA1 GLY 16 7.157 -25.653 -0.787 109 H PHE 17 HN PHE 17 6.164 -23.586 0.043 110 HA PHE 17 HA PHE 17 3.227 -23.771 0.204 111 HB2 PHE 17 HB2 PHE 17 3.343 -21.439 1.051 112 HB3 PHE 17 HB1 PHE 17 4.248 -22.567 2.059 113 HD1 PHE 17 HD1 PHE 17 6.701 -22.585 2.052 114 HD2 PHE 17 HD2 PHE 17 4.481 -19.782 -0.331 115 HE1 PHE 17 HE1 PHE 17 8.757 -21.242 1.717 116 HE2 PHE 17 HE2 PHE 17 6.539 -18.440 -0.667 117 HZ PHE 17 HZ PHE 17 8.677 -19.170 0.357 118 H GLU 18 HN GLU 18 2.299 -23.621 -1.728 119 HA GLU 18 HA GLU 18 2.840 -21.308 -3.392 120 HB2 GLU 18 HB2 GLU 18 3.274 -24.111 -4.451 121 HB3 GLU 18 HB1 GLU 18 3.191 -22.654 -5.445 122 HG2 GLU 18 HG2 GLU 18 5.481 -22.803 -5.134 123 HG3 GLU 18 HG1 GLU 18 5.043 -21.797 -3.755 124 H PHE 19 HN PHE 19 1.051 -20.698 -4.558 125 HA PHE 19 HA PHE 19 -1.278 -22.516 -4.409 126 HB2 PHE 19 HB2 PHE 19 -1.542 -20.506 -3.002 127 HB3 PHE 19 HB1 PHE 19 -1.250 -19.488 -4.414 128 HD1 PHE 19 HD1 PHE 19 -2.986 -19.042 -5.999 129 HD2 PHE 19 HD2 PHE 19 -3.531 -22.060 -2.990 130 HE1 PHE 19 HE1 PHE 19 -5.380 -19.226 -6.614 131 HE2 PHE 19 HE2 PHE 19 -5.926 -22.241 -3.607 132 HZ PHE 19 HZ PHE 19 -6.849 -20.825 -5.419 133 H TYR 20 HN TYR 20 -2.196 -23.079 -6.294 134 HA TYR 20 HA TYR 20 -1.496 -21.497 -8.700 135 HB2 TYR 20 HB2 TYR 20 -1.779 -24.508 -8.503 136 HB3 TYR 20 HB1 TYR 20 -1.451 -23.597 -9.977 137 HD1 TYR 20 HD1 TYR 20 -0.048 -25.035 -6.961 138 HD2 TYR 20 HD2 TYR 20 0.695 -22.271 -10.163 139 HE1 TYR 20 HE1 TYR 20 2.376 -25.097 -6.450 140 HE2 TYR 20 HE2 TYR 20 3.120 -22.328 -9.649 141 HH TYR 20 HH TYR 20 4.356 -23.877 -6.785 142 H VAL 21 HN VAL 21 -3.162 -21.023 -10.074 143 HA VAL 21 HA VAL 21 -5.849 -21.771 -9.179 144 HB VAL 21 HB VAL 21 -4.916 -19.816 -11.303 145 HG11 VAL 21 HG11 VAL 21 -7.307 -19.056 -11.210 146 HG12 VAL 21 HG12 VAL 21 -7.669 -20.462 -10.208 147 HG13 VAL 21 HG13 VAL 21 -7.115 -20.681 -11.868 148 HG21 VAL 21 HG21 VAL 21 -6.038 -19.422 -8.510 149 HG22 VAL 21 HG22 VAL 21 -5.714 -18.122 -9.660 150 HG23 VAL 21 HG23 VAL 21 -4.383 -19.088 -9.019 151 H GLU 22 HN GLU 22 -6.782 -23.519 -10.027 152 HA GLU 22 HA GLU 22 -5.756 -24.909 -12.281 153 HB2 GLU 22 HB2 GLU 22 -7.066 -25.996 -10.473 154 HB3 GLU 22 HB1 GLU 22 -8.501 -25.124 -11.014 155 HG2 GLU 22 HG2 GLU 22 -8.341 -26.191 -13.220 156 HG3 GLU 22 HG1 GLU 22 -6.878 -27.037 -12.719 157 H ALA 23 HN ALA 23 -6.217 -24.722 -14.418 158 HA ALA 23 HA ALA 23 -7.248 -22.471 -15.562 159 HB1 ALA 23 HB1 ALA 23 -7.409 -25.311 -16.598 160 HB2 ALA 23 HB2 ALA 23 -6.138 -24.131 -16.922 161 HB3 ALA 23 HB3 ALA 23 -7.759 -23.883 -17.574 162 H GLY 24 HN GLY 24 -9.176 -21.528 -15.631 163 HA2 GLY 24 HA2 GLY 24 -11.484 -21.297 -15.776 164 HA3 GLY 24 HA1 GLY 24 -11.629 -23.051 -15.789 165 H GLN 25 HN GLN 25 -9.651 -21.954 -13.263 166 HA GLN 25 HA GLN 25 -11.858 -22.351 -11.343 167 HB2 GLN 25 HB2 GLN 25 -10.018 -23.964 -11.151 168 HB3 GLN 25 HB1 GLN 25 -8.869 -22.640 -10.959 169 HG2 GLN 25 HG2 GLN 25 -9.456 -23.544 -8.765 170 HG3 GLN 25 HG1 GLN 25 -10.091 -21.907 -8.924 171 HE21 GLN 25 HE21 GLN 25 -11.818 -22.342 -7.375 172 HE22 GLN 25 HE22 GLN 25 -13.138 -23.326 -7.786 173 H GLN 26 HN GLN 26 -12.417 -20.779 -9.960 174 HA GLN 26 HA GLN 26 -11.375 -18.131 -10.355 175 HB2 GLN 26 HB2 GLN 26 -13.758 -18.556 -9.839 176 HB3 GLN 26 HB1 GLN 26 -13.290 -19.140 -8.241 177 HG2 GLN 26 HG2 GLN 26 -12.313 -16.960 -7.700 178 HG3 GLN 26 HG1 GLN 26 -12.696 -16.367 -9.315 179 HE21 GLN 26 HE21 GLN 26 -13.834 -14.827 -7.437 180 HE22 GLN 26 HE22 GLN 26 -15.478 -15.184 -7.214 181 H PHE 27 HN PHE 27 -9.775 -17.179 -9.336 182 HA PHE 27 HA PHE 27 -8.157 -18.489 -7.408 183 HB2 PHE 27 HB2 PHE 27 -7.222 -16.822 -8.910 184 HB3 PHE 27 HB1 PHE 27 -8.290 -15.585 -8.244 185 HD1 PHE 27 HD1 PHE 27 -7.750 -14.448 -6.219 186 HD2 PHE 27 HD2 PHE 27 -5.481 -17.885 -7.429 187 HE1 PHE 27 HE1 PHE 27 -6.084 -13.970 -4.446 188 HE2 PHE 27 HE2 PHE 27 -3.815 -17.412 -5.654 189 HZ PHE 27 HZ PHE 27 -4.117 -15.453 -4.162 190 H ASP 28 HN ASP 28 -8.322 -18.582 -5.247 191 HA ASP 28 HA ASP 28 -10.468 -17.079 -3.940 192 HB2 ASP 28 HB2 ASP 28 -10.238 -19.498 -3.486 193 HB3 ASP 28 HB1 ASP 28 -8.619 -19.215 -2.846 194 H ASP 29 HN ASP 29 -9.765 -15.004 -3.668 195 HA ASP 29 HA ASP 29 -7.106 -14.337 -2.854 196 HB2 ASP 29 HB2 ASP 29 -7.987 -12.057 -2.632 197 HB3 ASP 29 HB1 ASP 29 -8.498 -12.786 -4.153 198 H SER 30 HN SER 30 -9.999 -15.224 -1.162 199 HA SER 30 HA SER 30 -9.486 -13.949 1.314 200 HB2 SER 30 HB2 SER 30 -11.673 -14.912 0.778 201 HB3 SER 30 HB1 SER 30 -10.965 -16.526 0.728 202 HG SER 30 HG SER 30 -10.225 -15.468 3.005 203 H ALA 31 HN ALA 31 -8.725 -17.222 0.131 204 HA ALA 31 HA ALA 31 -7.406 -18.091 2.469 205 HB1 ALA 31 HB1 ALA 31 -6.261 -19.655 0.647 206 HB2 ALA 31 HB2 ALA 31 -7.558 -19.013 -0.361 207 HB3 ALA 31 HB3 ALA 31 -7.944 -19.878 1.126 208 H TYR 32 HN TYR 32 -6.264 -16.461 -0.432 209 HA TYR 32 HA TYR 32 -3.506 -16.712 -0.031 210 HB2 TYR 32 HB2 TYR 32 -4.656 -15.770 -2.071 211 HB3 TYR 32 HB1 TYR 32 -4.915 -14.283 -1.160 212 HD1 TYR 32 HD1 TYR 32 -2.425 -16.449 -2.777 213 HD2 TYR 32 HD2 TYR 32 -3.028 -12.849 -0.514 214 HE1 TYR 32 HE1 TYR 32 -0.125 -15.714 -3.335 215 HE2 TYR 32 HE2 TYR 32 -0.727 -12.112 -1.075 216 HH TYR 32 HH TYR 32 1.267 -13.905 -3.361 217 H GLU 33 HN GLU 33 -5.863 -14.439 1.279 218 HA GLU 33 HA GLU 33 -4.068 -12.662 2.533 219 HB2 GLU 33 HB2 GLU 33 -6.902 -13.462 3.237 220 HB3 GLU 33 HB1 GLU 33 -6.031 -12.133 4.003 221 HG2 GLU 33 HG2 GLU 33 -5.739 -11.048 1.822 222 HG3 GLU 33 HG1 GLU 33 -6.575 -12.389 1.038 223 H GLU 34 HN GLU 34 -5.605 -15.659 3.618 224 HA GLU 34 HA GLU 34 -4.294 -15.531 6.216 225 HB2 GLU 34 HB2 GLU 34 -6.002 -17.691 4.953 226 HB3 GLU 34 HB1 GLU 34 -5.452 -17.665 6.628 227 HG2 GLU 34 HG2 GLU 34 -6.629 -15.520 6.970 228 HG3 GLU 34 HG1 GLU 34 -7.205 -15.585 5.306 229 H ALA 35 HN ALA 35 -3.700 -16.750 3.084 230 HA ALA 35 HA ALA 35 -1.917 -18.854 3.950 231 HB1 ALA 35 HB1 ALA 35 -2.598 -19.580 1.929 232 HB2 ALA 35 HB2 ALA 35 -1.412 -18.454 1.268 233 HB3 ALA 35 HB3 ALA 35 -3.100 -17.965 1.426 234 H TYR 36 HN TYR 36 -1.704 -15.524 2.859 235 HA TYR 36 HA TYR 36 1.223 -15.645 3.257 236 HB2 TYR 36 HB2 TYR 36 -0.322 -13.915 1.313 237 HB3 TYR 36 HB1 TYR 36 1.421 -13.854 1.576 238 HD1 TYR 36 HD1 TYR 36 2.864 -15.761 0.932 239 HD2 TYR 36 HD2 TYR 36 -1.349 -15.734 0.094 240 HE1 TYR 36 HE1 TYR 36 3.169 -17.632 -0.667 241 HE2 TYR 36 HE2 TYR 36 -1.043 -17.605 -1.505 242 HH TYR 36 HH TYR 36 1.837 -18.482 -2.777 243 H GLY 37 HN GLY 37 -1.637 -14.505 4.466 244 HA2 GLY 37 HA2 GLY 37 -2.144 -12.963 6.104 245 HA3 GLY 37 HA1 GLY 37 -0.413 -12.840 6.393 246 H VAL 38 HN VAL 38 -1.887 -12.115 3.265 247 HA VAL 38 HA VAL 38 -1.422 -9.242 3.780 248 HB VAL 38 HB VAL 38 -0.545 -9.034 1.480 249 HG11 VAL 38 HG11 VAL 38 1.084 -11.211 2.736 250 HG12 VAL 38 HG12 VAL 38 0.830 -9.724 3.647 251 HG13 VAL 38 HG13 VAL 38 1.607 -9.667 2.065 252 HG21 VAL 38 HG21 VAL 38 0.134 -11.751 0.960 253 HG22 VAL 38 HG22 VAL 38 -0.917 -10.700 0.010 254 HG23 VAL 38 HG23 VAL 38 -1.598 -11.701 1.292 255 H SER 39 HN SER 39 -2.609 -7.809 2.368 256 HA SER 39 HA SER 39 -5.300 -8.791 1.877 257 HB2 SER 39 HB2 SER 39 -5.068 -6.624 2.934 258 HB3 SER 39 HB1 SER 39 -4.062 -6.042 1.611 259 HG SER 39 HG SER 39 -6.540 -7.106 0.941 260 H VAL 40 HN VAL 40 -5.997 -9.532 -0.013 261 HA VAL 40 HA VAL 40 -4.421 -8.963 -2.440 262 HB VAL 40 HB VAL 40 -6.486 -11.112 -1.905 263 HG11 VAL 40 HG11 VAL 40 -6.127 -10.224 -4.307 264 HG12 VAL 40 HG12 VAL 40 -5.982 -11.963 -4.053 265 HG13 VAL 40 HG13 VAL 40 -4.533 -10.970 -4.200 266 HG21 VAL 40 HG21 VAL 40 -4.406 -11.424 -0.619 267 HG22 VAL 40 HG22 VAL 40 -3.458 -11.225 -2.092 268 HG23 VAL 40 HG23 VAL 40 -4.525 -12.619 -1.910 269 HA PRO 41 HA PRO 41 -7.901 -6.282 -3.432 270 HB2 PRO 41 HB2 PRO 41 -6.770 -5.202 -5.670 271 HB3 PRO 41 HB1 PRO 41 -6.339 -4.690 -4.025 272 HG2 PRO 41 HG2 PRO 41 -4.913 -6.565 -5.856 273 HG3 PRO 41 HG1 PRO 41 -4.257 -5.293 -4.811 274 HD2 PRO 41 HD2 PRO 41 -4.205 -7.925 -4.103 275 HD3 PRO 41 HD1 PRO 41 -4.347 -6.618 -2.905 276 H SER 42 HN SER 42 -9.611 -6.454 -4.846 277 HA SER 42 HA SER 42 -10.026 -8.848 -6.228 278 HB2 SER 42 HB2 SER 42 -11.438 -6.186 -6.442 279 HB3 SER 42 HB1 SER 42 -12.017 -7.672 -7.187 280 HG SER 42 HG SER 42 -12.607 -8.385 -5.289 281 H ALA 43 HN ALA 43 -8.941 -5.685 -7.421 282 HA ALA 43 HA ALA 43 -9.231 -6.169 -10.160 283 HB1 ALA 43 HB1 ALA 43 -7.519 -4.365 -8.514 284 HB2 ALA 43 HB2 ALA 43 -8.734 -3.965 -9.728 285 HB3 ALA 43 HB3 ALA 43 -7.145 -4.543 -10.228 286 H VAL 44 HN VAL 44 -6.484 -6.927 -8.010 287 HA VAL 44 HA VAL 44 -4.853 -7.915 -10.148 288 HB VAL 44 HB VAL 44 -4.058 -7.110 -7.851 289 HG11 VAL 44 HG11 VAL 44 -5.745 -9.068 -6.923 290 HG12 VAL 44 HG12 VAL 44 -4.427 -8.359 -5.992 291 HG13 VAL 44 HG13 VAL 44 -4.180 -9.877 -6.855 292 HG21 VAL 44 HG21 VAL 44 -2.371 -9.189 -7.823 293 HG22 VAL 44 HG22 VAL 44 -2.321 -7.973 -9.100 294 HG23 VAL 44 HG23 VAL 44 -3.145 -9.509 -9.375 295 H VAL 45 HN VAL 45 -7.180 -9.357 -7.940 296 HA VAL 45 HA VAL 45 -6.586 -12.078 -8.414 297 HB VAL 45 HB VAL 45 -9.113 -10.676 -7.535 298 HG11 VAL 45 HG11 VAL 45 -9.512 -13.157 -6.677 299 HG12 VAL 45 HG12 VAL 45 -8.501 -13.560 -8.064 300 HG13 VAL 45 HG13 VAL 45 -10.009 -12.674 -8.299 301 HG21 VAL 45 HG21 VAL 45 -6.944 -10.712 -6.125 302 HG22 VAL 45 HG22 VAL 45 -7.250 -12.438 -5.938 303 HG23 VAL 45 HG23 VAL 45 -8.425 -11.264 -5.344 304 H GLU 46 HN GLU 46 -8.861 -9.853 -10.050 305 HA GLU 46 HA GLU 46 -10.112 -11.807 -11.650 306 HB2 GLU 46 HB2 GLU 46 -11.004 -10.025 -12.909 307 HB3 GLU 46 HB1 GLU 46 -10.780 -9.345 -11.297 308 HG2 GLU 46 HG2 GLU 46 -8.490 -8.559 -12.107 309 HG3 GLU 46 HG1 GLU 46 -9.033 -8.964 -13.731 310 H GLU 47 HN GLU 47 -7.224 -9.803 -12.238 311 HA GLU 47 HA GLU 47 -6.756 -10.594 -14.882 312 HB2 GLU 47 HB2 GLU 47 -5.557 -8.740 -13.806 313 HB3 GLU 47 HB1 GLU 47 -4.739 -9.881 -12.738 314 HG2 GLU 47 HG2 GLU 47 -3.277 -9.317 -14.615 315 HG3 GLU 47 HG1 GLU 47 -3.766 -11.007 -14.727 316 H MET 48 HN MET 48 -5.653 -12.029 -11.817 317 HA MET 48 HA MET 48 -4.118 -14.108 -12.986 318 HB2 MET 48 HB2 MET 48 -5.503 -13.892 -10.301 319 HB3 MET 48 HB1 MET 48 -4.429 -15.218 -10.745 320 HG2 MET 48 HG2 MET 48 -3.660 -12.286 -10.745 321 HG3 MET 48 HG1 MET 48 -3.232 -13.445 -9.488 322 HE1 MET 48 HE1 MET 48 -0.745 -12.750 -9.796 323 HE2 MET 48 HE2 MET 48 -1.216 -11.629 -11.070 324 HE3 MET 48 HE3 MET 48 0.114 -12.752 -11.342 325 H ASN 49 HN ASN 49 -7.483 -13.823 -11.986 326 HA ASN 49 HA ASN 49 -8.251 -16.512 -12.453 327 HB2 ASN 49 HB2 ASN 49 -9.812 -13.927 -12.375 328 HB3 ASN 49 HB1 ASN 49 -10.574 -15.501 -12.594 329 HD21 ASN 49 HD21 ASN 49 -11.071 -13.857 -10.272 330 HD22 ASN 49 HD22 ASN 49 -10.439 -14.666 -8.922 331 H ALA 50 HN ALA 50 -8.190 -13.628 -14.479 332 HA ALA 50 HA ALA 50 -9.579 -14.671 -16.700 333 HB1 ALA 50 HB1 ALA 50 -8.419 -12.250 -16.064 334 HB2 ALA 50 HB2 ALA 50 -9.136 -12.660 -17.622 335 HB3 ALA 50 HB3 ALA 50 -7.398 -12.836 -17.377 336 H LYS 51 HN LYS 51 -6.131 -14.675 -15.865 337 HA LYS 51 HA LYS 51 -5.195 -15.850 -18.247 338 HB2 LYS 51 HB2 LYS 51 -4.101 -15.872 -15.431 339 HB3 LYS 51 HB1 LYS 51 -3.239 -16.565 -16.804 340 HG2 LYS 51 HG2 LYS 51 -3.419 -14.352 -17.967 341 HG3 LYS 51 HG1 LYS 51 -4.129 -13.684 -16.496 342 HD2 LYS 51 HD2 LYS 51 -1.428 -15.054 -16.563 343 HD3 LYS 51 HD1 LYS 51 -1.635 -13.311 -16.724 344 HE2 LYS 51 HE2 LYS 51 -2.810 -13.266 -14.538 345 HE3 LYS 51 HE1 LYS 51 -2.533 -14.999 -14.371 346 HZ1 LYS 51 HZ1 LYS 51 -0.666 -12.784 -14.112 347 HZ2 LYS 51 HZ2 LYS 51 -0.070 -14.175 -14.887 348 HZ3 LYS 51 HZ3 LYS 51 -0.697 -14.280 -13.310 349 H ALA 52 HN ALA 52 -6.343 -17.306 -15.205 350 HA ALA 52 HA ALA 52 -5.719 -19.978 -15.808 351 HB1 ALA 52 HB1 ALA 52 -7.928 -18.815 -14.099 352 HB2 ALA 52 HB2 ALA 52 -6.323 -19.304 -13.557 353 HB3 ALA 52 HB3 ALA 52 -7.471 -20.517 -14.121 354 H ALA 53 HN ALA 53 -8.507 -17.978 -16.607 355 HA ALA 53 HA ALA 53 -10.218 -20.002 -17.560 356 HB1 ALA 53 HB1 ALA 53 -11.496 -18.257 -18.529 357 HB2 ALA 53 HB2 ALA 53 -10.091 -17.199 -18.671 358 HB3 ALA 53 HB3 ALA 53 -10.774 -17.553 -17.083 359 H GLN 54 HN GLN 54 -7.625 -18.181 -19.099 360 HA GLN 54 HA GLN 54 -8.158 -19.303 -21.723 361 HB2 GLN 54 HB2 GLN 54 -5.849 -17.643 -20.685 362 HB3 GLN 54 HB1 GLN 54 -6.106 -18.080 -22.374 363 HG2 GLN 54 HG2 GLN 54 -8.260 -16.909 -22.374 364 HG3 GLN 54 HG1 GLN 54 -8.063 -16.514 -20.668 365 HE21 GLN 54 HE21 GLN 54 -4.986 -16.286 -21.670 366 HE22 GLN 54 HE22 GLN 54 -4.938 -14.668 -22.182 367 H LEU 55 HN LEU 55 -6.548 -20.317 -18.922 368 HA LEU 55 HA LEU 55 -4.435 -21.813 -20.169 369 HB2 LEU 55 HB2 LEU 55 -5.611 -21.829 -17.392 370 HB3 LEU 55 HB1 LEU 55 -4.297 -22.901 -17.878 371 HG LEU 55 HG LEU 55 -4.190 -19.895 -18.208 372 HD11 LEU 55 HD11 LEU 55 -3.861 -19.769 -15.980 373 HD12 LEU 55 HD12 LEU 55 -2.390 -20.716 -16.211 374 HD13 LEU 55 HD13 LEU 55 -3.909 -21.526 -15.825 375 HD21 LEU 55 HD21 LEU 55 -2.178 -22.147 -18.403 376 HD22 LEU 55 HD22 LEU 55 -1.708 -20.450 -18.304 377 HD23 LEU 55 HD23 LEU 55 -2.659 -21.023 -19.673 378 H LYS 56 HN LYS 56 -4.333 -23.911 -20.713 379 HA LYS 56 HA LYS 56 -6.829 -25.334 -21.115 380 HB2 LYS 56 HB2 LYS 56 -3.958 -25.827 -21.879 381 HB3 LYS 56 HB1 LYS 56 -5.178 -27.089 -22.063 382 HG2 LYS 56 HG2 LYS 56 -5.513 -24.301 -23.194 383 HG3 LYS 56 HG1 LYS 56 -4.817 -25.635 -24.115 384 HD2 LYS 56 HD2 LYS 56 -7.533 -25.780 -22.781 385 HD3 LYS 56 HD1 LYS 56 -7.304 -25.303 -24.465 386 HE2 LYS 56 HE2 LYS 56 -6.133 -27.463 -24.883 387 HE3 LYS 56 HE1 LYS 56 -6.478 -27.943 -23.221 388 HZ1 LYS 56 HZ1 LYS 56 -8.312 -28.805 -24.154 389 HZ2 LYS 56 HZ2 LYS 56 -8.247 -27.787 -25.513 390 HZ3 LYS 56 HZ3 LYS 56 -8.900 -27.216 -24.052 391 H ASP 57 HN ASP 57 -6.931 -27.699 -20.521 392 HA ASP 57 HA ASP 57 -6.634 -27.998 -17.715 393 HB2 ASP 57 HB2 ASP 57 -8.363 -29.164 -19.063 394 HB3 ASP 57 HB1 ASP 57 -7.096 -30.141 -19.803 395 H GLY 58 HN GLY 58 -5.021 -28.862 -16.513 396 HA2 GLY 58 HA2 GLY 58 -3.178 -30.327 -16.128 397 HA3 GLY 58 HA1 GLY 58 -2.881 -30.361 -17.862 398 H GLU 59 HN GLU 59 -3.577 -27.256 -16.679 399 HA GLU 59 HA GLU 59 -0.698 -26.600 -16.537 400 HB2 GLU 59 HB2 GLU 59 -2.944 -25.039 -17.825 401 HB3 GLU 59 HB1 GLU 59 -1.345 -24.366 -17.505 402 HG2 GLU 59 HG2 GLU 59 -0.301 -26.068 -18.900 403 HG3 GLU 59 HG1 GLU 59 -1.855 -26.861 -19.148 404 H TRP 60 HN TRP 60 -0.086 -24.973 -15.065 405 HA TRP 60 HA TRP 60 -2.181 -24.119 -13.174 406 HB2 TRP 60 HB2 TRP 60 0.531 -25.260 -12.496 407 HB3 TRP 60 HB1 TRP 60 -0.442 -24.347 -11.349 408 HD1 TRP 60 HD1 TRP 60 0.091 -27.763 -12.580 409 HE1 TRP 60 HE1 TRP 60 -1.789 -29.333 -11.790 410 HE3 TRP 60 HE3 TRP 60 -3.283 -24.316 -10.917 411 HZ2 TRP 60 HZ2 TRP 60 -4.385 -29.151 -10.604 412 HZ3 TRP 60 HZ3 TRP 60 -5.451 -25.042 -9.960 413 HH2 TRP 60 HH2 TRP 60 -6.005 -27.453 -9.801 414 H LEU 61 HN LEU 61 -1.960 -22.121 -12.297 415 HA LEU 61 HA LEU 61 0.052 -20.370 -13.568 416 HB2 LEU 61 HB2 LEU 61 -2.340 -19.779 -13.928 417 HB3 LEU 61 HB1 LEU 61 -2.546 -19.639 -12.180 418 HG LEU 61 HG LEU 61 -0.813 -17.883 -12.118 419 HD11 LEU 61 HD11 LEU 61 0.639 -17.700 -13.830 420 HD12 LEU 61 HD12 LEU 61 -0.684 -17.236 -14.900 421 HD13 LEU 61 HD13 LEU 61 -0.251 -18.939 -14.719 422 HD21 LEU 61 HD21 LEU 61 -2.282 -16.220 -12.736 423 HD22 LEU 61 HD22 LEU 61 -3.391 -17.586 -12.866 424 HD23 LEU 61 HD23 LEU 61 -2.604 -16.950 -14.309 425 H ASN 62 HN ASN 62 1.352 -19.006 -12.228 426 HA ASN 62 HA ASN 62 1.452 -19.905 -9.432 427 HB2 ASN 62 HB2 ASN 62 3.528 -20.133 -10.705 428 HB3 ASN 62 HB1 ASN 62 3.489 -18.416 -11.100 429 HD21 ASN 62 HD21 ASN 62 3.772 -20.684 -8.341 430 HD22 ASN 62 HD22 ASN 62 4.557 -19.581 -7.317 431 H VAL 63 HN VAL 63 0.646 -18.627 -7.902 432 HA VAL 63 HA VAL 63 0.454 -15.725 -8.449 433 HB VAL 63 HB VAL 63 -1.354 -17.468 -6.755 434 HG11 VAL 63 HG11 VAL 63 -1.515 -15.444 -5.661 435 HG12 VAL 63 HG12 VAL 63 -2.668 -15.147 -6.962 436 HG13 VAL 63 HG13 VAL 63 -1.024 -14.520 -7.080 437 HG21 VAL 63 HG21 VAL 63 -2.238 -15.865 -9.128 438 HG22 VAL 63 HG22 VAL 63 -2.907 -17.362 -8.477 439 HG23 VAL 63 HG23 VAL 63 -1.412 -17.398 -9.412 440 H SER 64 HN SER 64 1.595 -14.440 -7.117 441 HA SER 64 HA SER 64 2.075 -15.217 -4.356 442 HB2 SER 64 HB2 SER 64 3.931 -16.278 -5.654 443 HB3 SER 64 HB1 SER 64 4.395 -14.678 -6.225 444 HG SER 64 HG SER 64 5.249 -14.278 -4.345 445 H HIS 65 HN HIS 65 3.612 -13.415 -3.372 446 HA HIS 65 HA HIS 65 2.947 -10.791 -4.545 447 HB2 HIS 65 HB2 HIS 65 2.154 -9.934 -2.453 448 HB3 HIS 65 HB1 HIS 65 1.280 -11.436 -2.747 449 HD1 HIS 65 HD1 HIS 65 2.247 -13.607 -1.457 450 HD2 HIS 65 HD2 HIS 65 3.655 -9.922 -0.108 451 HE1 HIS 65 HE1 HIS 65 3.275 -14.022 0.819 452 H GLU 66 HN GLU 66 4.277 -9.022 -3.609 453 HA GLU 66 HA GLU 66 6.749 -9.939 -2.322 454 HB2 GLU 66 HB2 GLU 66 7.190 -9.873 -4.749 455 HB3 GLU 66 HB1 GLU 66 6.640 -8.198 -4.796 456 HG2 GLU 66 HG2 GLU 66 8.423 -7.544 -3.245 457 HG3 GLU 66 HG1 GLU 66 8.960 -9.220 -3.134 458 H ALA 67 HN ALA 67 7.554 -8.500 -0.847 459 HA ALA 67 HA ALA 67 7.369 -6.789 0.695 460 HB1 ALA 67 HB1 ALA 67 7.001 -4.907 -1.598 461 HB2 ALA 67 HB2 ALA 67 8.482 -5.862 -1.514 462 HB3 ALA 67 HB3 ALA 67 8.058 -4.770 -0.194 Start of MODEL 9 1 H MET 1 HT1 MET 1 6.498 -0.212 -0.313 2 HA MET 1 HA MET 1 4.730 -1.582 0.263 3 HB2 MET 1 HB2 MET 1 3.552 -1.683 -2.232 4 HG2 MET 1 HG2 MET 1 4.619 0.817 -2.829 5 HE1 MET 1 HE1 MET 1 6.283 -0.294 -6.179 6 HE2 MET 1 HE2 MET 1 7.254 -0.610 -4.744 7 HE3 MET 1 HE3 MET 1 6.309 0.873 -4.850 8 H THR 2 HN THR 2 3.200 -3.202 -1.496 9 HA THR 2 HA THR 2 4.915 -5.608 -1.661 10 HB THR 2 HB THR 2 1.943 -5.411 -1.107 11 HG1 THR 2 HG1 THR 2 3.224 -4.821 0.654 12 HG21 THR 2 HG21 THR 2 3.325 -7.489 -2.297 13 HG22 THR 2 HG22 THR 2 1.806 -7.646 -1.413 14 HG23 THR 2 HG23 THR 2 3.339 -7.934 -0.590 15 H THR 3 HN THR 3 5.114 -6.560 -3.595 16 HA THR 3 HA THR 3 3.236 -5.753 -5.730 17 HB THR 3 HB THR 3 6.171 -6.426 -5.970 18 HG1 THR 3 HG1 THR 3 4.736 -4.008 -6.337 19 HG21 THR 3 HG21 THR 3 4.101 -5.630 -8.034 20 HG22 THR 3 HG22 THR 3 4.932 -7.183 -7.926 21 HG23 THR 3 HG23 THR 3 5.836 -5.726 -8.340 22 H PHE 4 HN PHE 4 2.141 -7.314 -6.720 23 HA PHE 4 HA PHE 4 2.820 -10.096 -6.070 24 HB2 PHE 4 HB2 PHE 4 0.323 -8.842 -7.233 25 HB3 PHE 4 HB1 PHE 4 0.531 -10.561 -6.920 26 HD1 PHE 4 HD1 PHE 4 0.020 -7.257 -5.423 27 HD2 PHE 4 HD2 PHE 4 0.723 -11.416 -4.609 28 HE1 PHE 4 HE1 PHE 4 -0.643 -6.906 -3.060 29 HE2 PHE 4 HE2 PHE 4 0.060 -11.064 -2.245 30 HZ PHE 4 HZ PHE 4 -0.623 -8.809 -1.471 31 H THR 5 HN THR 5 3.408 -11.549 -7.579 32 HA THR 5 HA THR 5 3.360 -10.705 -10.407 33 HB THR 5 HB THR 5 5.598 -11.643 -10.702 34 HG1 THR 5 HG1 THR 5 5.221 -12.264 -7.992 35 HG21 THR 5 HG21 THR 5 5.599 -9.311 -10.244 36 HG22 THR 5 HG22 THR 5 6.834 -9.992 -9.186 37 HG23 THR 5 HG23 THR 5 5.250 -9.572 -8.536 38 H SER 6 HN SER 6 3.532 -12.494 -11.923 39 HA SER 6 HA SER 6 3.014 -15.173 -10.888 40 HB2 SER 6 HB2 SER 6 0.919 -15.453 -12.088 41 HB3 SER 6 HB1 SER 6 0.778 -14.098 -10.973 42 HG SER 6 HG SER 6 0.140 -13.934 -13.374 43 H ILE 7 HN ILE 7 3.090 -16.825 -12.537 44 HA ILE 7 HA ILE 7 4.052 -16.061 -15.182 45 HB ILE 7 HB ILE 7 5.637 -17.780 -13.255 46 HG12 ILE 7 HG12 ILE 7 6.449 -15.261 -14.732 47 HG13 ILE 7 HG11 ILE 7 5.833 -15.254 -13.078 48 HG21 ILE 7 HG21 ILE 7 5.671 -17.464 -16.224 49 HG22 ILE 7 HG22 ILE 7 6.028 -18.885 -15.241 50 HG23 ILE 7 HG23 ILE 7 7.223 -17.598 -15.396 51 HD11 ILE 7 HD11 ILE 7 8.288 -16.744 -14.055 52 HD12 ILE 7 HD12 ILE 7 7.656 -16.797 -12.409 53 HD13 ILE 7 HD13 ILE 7 8.288 -15.286 -13.063 54 H VAL 8 HN VAL 8 3.660 -17.759 -16.738 55 HA VAL 8 HA VAL 8 1.644 -19.638 -15.854 56 HB VAL 8 HB VAL 8 1.424 -18.524 -18.029 57 HG11 VAL 8 HG11 VAL 8 4.133 -18.891 -18.223 58 HG12 VAL 8 HG12 VAL 8 3.087 -18.461 -19.576 59 HG13 VAL 8 HG13 VAL 8 3.530 -20.146 -19.305 60 HG21 VAL 8 HG21 VAL 8 0.246 -20.472 -18.267 61 HG22 VAL 8 HG22 VAL 8 1.592 -21.467 -17.711 62 HG23 VAL 8 HG23 VAL 8 1.554 -20.889 -19.376 63 H THR 9 HN THR 9 2.370 -21.290 -14.699 64 HA THR 9 HA THR 9 4.155 -23.220 -15.957 65 HB THR 9 HB THR 9 4.904 -21.584 -13.599 66 HG1 THR 9 HG1 THR 9 6.274 -21.414 -15.236 67 HG21 THR 9 HG21 THR 9 4.497 -23.631 -12.428 68 HG22 THR 9 HG22 THR 9 6.238 -23.563 -12.714 69 HG23 THR 9 HG23 THR 9 5.217 -24.589 -13.724 70 H THR 10 HN THR 10 3.779 -25.364 -15.145 71 HA THR 10 HA THR 10 1.619 -25.444 -13.121 72 HB THR 10 HB THR 10 0.442 -26.276 -14.892 73 HG1 THR 10 HG1 THR 10 0.396 -28.434 -14.695 74 HG21 THR 10 HG21 THR 10 1.766 -25.998 -16.752 75 HG22 THR 10 HG22 THR 10 1.851 -27.756 -16.631 76 HG23 THR 10 HG23 THR 10 3.164 -26.767 -16.000 77 H ASN 11 HN ASN 11 3.095 -25.739 -11.419 78 HA ASN 11 HA ASN 11 4.194 -28.470 -11.267 79 HB2 ASN 11 HB2 ASN 11 5.611 -25.941 -10.400 80 HB3 ASN 11 HB1 ASN 11 6.190 -27.583 -10.124 81 HD21 ASN 11 HD21 ASN 11 6.042 -28.921 -12.412 82 HD22 ASN 11 HD22 ASN 11 6.773 -28.104 -13.708 83 HA PRO 12 HA PRO 12 1.377 -27.214 -7.704 84 HB2 PRO 12 HB2 PRO 12 0.694 -30.088 -8.131 85 HB3 PRO 12 HB1 PRO 12 -0.375 -28.711 -7.804 86 HG2 PRO 12 HG2 PRO 12 -0.191 -29.786 -10.235 87 HG3 PRO 12 HG1 PRO 12 -0.413 -28.044 -10.000 88 HD2 PRO 12 HD2 PRO 12 2.045 -29.529 -10.831 89 HD3 PRO 12 HD1 PRO 12 1.519 -27.887 -11.251 90 H ASP 13 HN ASP 13 2.703 -27.140 -5.980 91 HA ASP 13 HA ASP 13 3.993 -29.650 -5.092 92 HB2 ASP 13 HB2 ASP 13 5.017 -26.811 -4.972 93 HB3 ASP 13 HB1 ASP 13 5.719 -28.126 -4.031 94 H PHE 14 HN PHE 14 3.545 -30.303 -3.057 95 HA PHE 14 HA PHE 14 1.890 -28.504 -1.404 96 HB2 PHE 14 HB2 PHE 14 2.252 -31.508 -1.296 97 HB3 PHE 14 HB1 PHE 14 1.220 -30.571 -0.215 98 HD1 PHE 14 HD1 PHE 14 -0.787 -29.410 -1.077 99 HD2 PHE 14 HD2 PHE 14 1.623 -31.919 -3.596 100 HE1 PHE 14 HE1 PHE 14 -2.611 -29.475 -2.757 101 HE2 PHE 14 HE2 PHE 14 -0.200 -31.983 -5.277 102 HZ PHE 14 HZ PHE 14 -2.317 -30.762 -4.858 103 H GLY 15 HN GLY 15 4.951 -30.094 -1.573 104 HA2 GLY 15 HA2 GLY 15 5.616 -30.303 1.142 105 HA3 GLY 15 HA1 GLY 15 6.771 -30.109 -0.173 106 H GLY 16 HN GLY 16 5.916 -27.562 -1.106 107 HA2 GLY 16 HA2 GLY 16 6.819 -25.881 1.153 108 HA3 GLY 16 HA1 GLY 16 7.097 -25.519 -0.549 109 H PHE 17 HN PHE 17 6.134 -23.410 0.287 110 HA PHE 17 HA PHE 17 3.197 -23.507 0.424 111 HB2 PHE 17 HB2 PHE 17 3.393 -21.119 1.102 112 HB3 PHE 17 HB1 PHE 17 4.257 -22.212 2.183 113 HD1 PHE 17 HD1 PHE 17 6.704 -22.317 2.186 114 HD2 PHE 17 HD2 PHE 17 4.593 -19.611 -0.397 115 HE1 PHE 17 HE1 PHE 17 8.810 -21.079 1.764 116 HE2 PHE 17 HE2 PHE 17 6.701 -18.373 -0.821 117 HZ PHE 17 HZ PHE 17 8.808 -19.107 0.258 118 H GLU 18 HN GLU 18 2.242 -23.462 -1.495 119 HA GLU 18 HA GLU 18 2.786 -21.273 -3.313 120 HB2 GLU 18 HB2 GLU 18 3.156 -24.143 -4.203 121 HB3 GLU 18 HB1 GLU 18 3.081 -22.748 -5.284 122 HG2 GLU 18 HG2 GLU 18 5.375 -22.921 -5.001 123 HG3 GLU 18 HG1 GLU 18 4.976 -21.821 -3.681 124 H PHE 19 HN PHE 19 0.998 -20.747 -4.548 125 HA PHE 19 HA PHE 19 -1.355 -22.511 -4.205 126 HB2 PHE 19 HB2 PHE 19 -1.550 -20.414 -2.910 127 HB3 PHE 19 HB1 PHE 19 -1.309 -19.489 -4.393 128 HD1 PHE 19 HD1 PHE 19 -3.064 -19.255 -6.029 129 HD2 PHE 19 HD2 PHE 19 -3.573 -21.833 -2.630 130 HE1 PHE 19 HE1 PHE 19 -5.482 -19.459 -6.543 131 HE2 PHE 19 HE2 PHE 19 -5.990 -22.035 -3.146 132 HZ PHE 19 HZ PHE 19 -6.944 -20.848 -5.103 133 H TYR 20 HN TYR 20 -2.278 -23.210 -6.037 134 HA TYR 20 HA TYR 20 -1.650 -21.768 -8.548 135 HB2 TYR 20 HB2 TYR 20 -1.940 -24.754 -8.138 136 HB3 TYR 20 HB1 TYR 20 -1.696 -23.958 -9.691 137 HD1 TYR 20 HD1 TYR 20 0.440 -22.827 -10.207 138 HD2 TYR 20 HD2 TYR 20 -0.140 -24.996 -6.546 139 HE1 TYR 20 HE1 TYR 20 2.890 -22.858 -9.839 140 HE2 TYR 20 HE2 TYR 20 2.313 -25.027 -6.176 141 HH TYR 20 HH TYR 20 4.297 -23.607 -6.902 142 H VAL 21 HN VAL 21 -3.336 -21.334 -9.892 143 HA VAL 21 HA VAL 21 -6.018 -22.017 -8.932 144 HB VAL 21 HB VAL 21 -5.081 -20.150 -11.129 145 HG11 VAL 21 HG11 VAL 21 -7.819 -20.950 -10.136 146 HG12 VAL 21 HG12 VAL 21 -7.232 -20.875 -11.798 147 HG13 VAL 21 HG13 VAL 21 -7.545 -19.386 -10.905 148 HG21 VAL 21 HG21 VAL 21 -6.201 -19.698 -8.346 149 HG22 VAL 21 HG22 VAL 21 -5.974 -18.419 -9.540 150 HG23 VAL 21 HG23 VAL 21 -4.578 -19.293 -8.906 151 H GLU 22 HN GLU 22 -7.081 -23.708 -9.756 152 HA GLU 22 HA GLU 22 -6.051 -25.274 -11.890 153 HB2 GLU 22 HB2 GLU 22 -8.797 -25.230 -10.609 154 HB3 GLU 22 HB1 GLU 22 -8.224 -26.478 -11.715 155 HG2 GLU 22 HG2 GLU 22 -6.955 -25.758 -9.056 156 HG3 GLU 22 HG1 GLU 22 -7.944 -27.182 -9.366 157 H ALA 23 HN ALA 23 -6.442 -25.179 -14.055 158 HA ALA 23 HA ALA 23 -7.301 -22.923 -15.336 159 HB1 ALA 23 HB1 ALA 23 -7.170 -25.794 -16.135 160 HB2 ALA 23 HB2 ALA 23 -6.334 -24.398 -16.815 161 HB3 ALA 23 HB3 ALA 23 -8.032 -24.682 -17.198 162 H GLY 24 HN GLY 24 -9.177 -21.910 -15.591 163 HA2 GLY 24 HA2 GLY 24 -11.458 -21.556 -15.795 164 HA3 GLY 24 HA1 GLY 24 -11.686 -23.303 -15.821 165 H GLN 25 HN GLN 25 -9.791 -22.199 -13.210 166 HA GLN 25 HA GLN 25 -12.101 -22.515 -11.392 167 HB2 GLN 25 HB2 GLN 25 -10.188 -24.189 -11.279 168 HB3 GLN 25 HB1 GLN 25 -9.194 -22.869 -10.662 169 HG2 GLN 25 HG2 GLN 25 -11.747 -22.982 -9.282 170 HG3 GLN 25 HG1 GLN 25 -10.898 -24.523 -9.166 171 HE21 GLN 25 HE21 GLN 25 -11.316 -22.428 -7.032 172 HE22 GLN 25 HE22 GLN 25 -9.756 -22.020 -6.505 173 H GLN 26 HN GLN 26 -12.578 -20.954 -9.953 174 HA GLN 26 HA GLN 26 -11.454 -18.345 -10.333 175 HB2 GLN 26 HB2 GLN 26 -13.832 -18.707 -9.760 176 HB3 GLN 26 HB1 GLN 26 -13.342 -19.322 -8.182 177 HG2 GLN 26 HG2 GLN 26 -12.298 -17.182 -7.631 178 HG3 GLN 26 HG1 GLN 26 -12.683 -16.557 -9.235 179 HE21 GLN 26 HE21 GLN 26 -13.673 -15.986 -6.268 180 HE22 GLN 26 HE22 GLN 26 -15.354 -15.876 -6.472 181 H PHE 27 HN PHE 27 -9.819 -17.422 -9.332 182 HA PHE 27 HA PHE 27 -8.145 -18.784 -7.506 183 HB2 PHE 27 HB2 PHE 27 -7.244 -17.025 -8.896 184 HB3 PHE 27 HB1 PHE 27 -8.350 -15.845 -8.196 185 HD1 PHE 27 HD1 PHE 27 -5.506 -18.120 -7.396 186 HD2 PHE 27 HD2 PHE 27 -7.842 -14.734 -6.161 187 HE1 PHE 27 HE1 PHE 27 -3.879 -17.660 -5.583 188 HE2 PHE 27 HE2 PHE 27 -6.213 -14.273 -4.348 189 HZ PHE 27 HZ PHE 27 -4.232 -15.736 -4.058 190 H ASP 28 HN ASP 28 -8.319 -19.075 -5.375 191 HA ASP 28 HA ASP 28 -10.455 -17.755 -3.911 192 HB2 ASP 28 HB2 ASP 28 -9.992 -20.169 -3.597 193 HB3 ASP 28 HB1 ASP 28 -8.395 -19.765 -2.969 194 H ASP 29 HN ASP 29 -9.775 -15.607 -3.798 195 HA ASP 29 HA ASP 29 -7.196 -14.823 -2.874 196 HB2 ASP 29 HB2 ASP 29 -8.191 -12.581 -2.706 197 HB3 ASP 29 HB1 ASP 29 -8.596 -13.347 -4.241 198 H SER 30 HN SER 30 -10.171 -15.698 -1.284 199 HA SER 30 HA SER 30 -9.715 -14.412 1.197 200 HB2 SER 30 HB2 SER 30 -11.375 -15.979 2.085 201 HB3 SER 30 HB1 SER 30 -11.904 -15.335 0.534 202 HG SER 30 HG SER 30 -11.790 -17.271 -0.276 203 H ALA 31 HN ALA 31 -8.775 -17.593 -0.061 204 HA ALA 31 HA ALA 31 -7.549 -18.378 2.442 205 HB1 ALA 31 HB1 ALA 31 -7.844 -19.612 -0.275 206 HB2 ALA 31 HB2 ALA 31 -8.362 -20.229 1.294 207 HB3 ALA 31 HB3 ALA 31 -6.655 -20.260 0.855 208 H TYR 32 HN TYR 32 -6.555 -17.019 -0.631 209 HA TYR 32 HA TYR 32 -3.788 -17.469 -0.466 210 HB2 TYR 32 HB2 TYR 32 -4.899 -16.656 -2.507 211 HB3 TYR 32 HB1 TYR 32 -5.247 -15.124 -1.707 212 HD1 TYR 32 HD1 TYR 32 -3.510 -13.482 -1.317 213 HD2 TYR 32 HD2 TYR 32 -2.574 -17.298 -3.047 214 HE1 TYR 32 HE1 TYR 32 -1.265 -12.641 -1.951 215 HE2 TYR 32 HE2 TYR 32 -0.327 -16.460 -3.678 216 HH TYR 32 HH TYR 32 0.614 -13.909 -4.160 217 H GLU 33 HN GLU 33 -5.744 -14.711 0.639 218 HA GLU 33 HA GLU 33 -3.546 -13.257 1.724 219 HB2 GLU 33 HB2 GLU 33 -5.213 -11.850 2.765 220 HB3 GLU 33 HB1 GLU 33 -5.769 -12.255 1.140 221 HG2 GLU 33 HG2 GLU 33 -7.141 -14.093 2.098 222 HG3 GLU 33 HG1 GLU 33 -6.631 -13.601 3.713 223 H GLU 34 HN GLU 34 -5.531 -15.852 2.870 224 HA GLU 34 HA GLU 34 -5.185 -15.561 5.642 225 HB2 GLU 34 HB2 GLU 34 -6.783 -17.144 4.685 226 HB3 GLU 34 HB1 GLU 34 -5.459 -18.105 4.028 227 HG2 GLU 34 HG2 GLU 34 -6.235 -19.096 6.126 228 HG3 GLU 34 HG1 GLU 34 -4.605 -18.461 6.334 229 H ALA 35 HN ALA 35 -3.231 -17.495 3.332 230 HA ALA 35 HA ALA 35 -1.323 -18.277 5.309 231 HB1 ALA 35 HB1 ALA 35 -0.522 -19.587 3.664 232 HB2 ALA 35 HB2 ALA 35 -0.327 -18.223 2.563 233 HB3 ALA 35 HB3 ALA 35 -1.891 -19.023 2.705 234 H TYR 36 HN TYR 36 -1.358 -15.791 2.798 235 HA TYR 36 HA TYR 36 1.254 -14.787 3.451 236 HB2 TYR 36 HB2 TYR 36 -0.978 -13.712 1.726 237 HB3 TYR 36 HB1 TYR 36 0.568 -12.886 1.931 238 HD1 TYR 36 HD1 TYR 36 2.712 -14.185 1.403 239 HD2 TYR 36 HD2 TYR 36 -1.190 -15.508 0.198 240 HE1 TYR 36 HE1 TYR 36 3.740 -15.671 -0.296 241 HE2 TYR 36 HE2 TYR 36 -0.164 -16.995 -1.498 242 HH TYR 36 HH TYR 36 1.894 -18.053 -2.010 243 H GLY 37 HN GLY 37 -1.972 -14.161 4.528 244 HA2 GLY 37 HA2 GLY 37 -2.695 -12.957 6.366 245 HA3 GLY 37 HA1 GLY 37 -1.023 -12.499 6.674 246 H VAL 38 HN VAL 38 -2.117 -11.912 3.477 247 HA VAL 38 HA VAL 38 -2.688 -9.090 4.151 248 HB VAL 38 HB VAL 38 -1.435 -8.420 2.119 249 HG11 VAL 38 HG11 VAL 38 0.111 -8.076 3.732 250 HG12 VAL 38 HG12 VAL 38 0.827 -9.606 3.226 251 HG13 VAL 38 HG13 VAL 38 -0.322 -9.569 4.564 252 HG21 VAL 38 HG21 VAL 38 -0.836 -11.386 2.066 253 HG22 VAL 38 HG22 VAL 38 0.176 -10.206 1.234 254 HG23 VAL 38 HG23 VAL 38 -1.516 -10.395 0.775 255 H SER 39 HN SER 39 -4.312 -8.148 3.077 256 HA SER 39 HA SER 39 -6.255 -9.712 1.766 257 HB2 SER 39 HB2 SER 39 -5.891 -6.713 1.830 258 HB3 SER 39 HB1 SER 39 -7.332 -7.534 1.239 259 HG SER 39 HG SER 39 -6.207 -7.750 3.842 260 H VAL 40 HN VAL 40 -6.856 -9.903 -0.360 261 HA VAL 40 HA VAL 40 -4.826 -9.082 -2.346 262 HB VAL 40 HB VAL 40 -6.849 -11.330 -2.466 263 HG11 VAL 40 HG11 VAL 40 -4.518 -10.908 -4.322 264 HG12 VAL 40 HG12 VAL 40 -6.062 -10.114 -4.630 265 HG13 VAL 40 HG13 VAL 40 -5.972 -11.874 -4.575 266 HG21 VAL 40 HG21 VAL 40 -4.071 -12.100 -2.621 267 HG22 VAL 40 HG22 VAL 40 -5.298 -12.617 -1.462 268 HG23 VAL 40 HG23 VAL 40 -4.349 -11.162 -1.153 269 HA PRO 41 HA PRO 41 -8.081 -6.347 -3.759 270 HB2 PRO 41 HB2 PRO 41 -6.714 -5.371 -5.927 271 HB3 PRO 41 HB1 PRO 41 -6.437 -4.815 -4.264 272 HG2 PRO 41 HG2 PRO 41 -4.880 -6.770 -5.890 273 HG3 PRO 41 HG1 PRO 41 -4.305 -5.499 -4.794 274 HD2 PRO 41 HD2 PRO 41 -4.398 -8.118 -4.054 275 HD3 PRO 41 HD1 PRO 41 -4.643 -6.794 -2.893 276 H SER 42 HN SER 42 -9.686 -6.467 -5.314 277 HA SER 42 HA SER 42 -10.081 -8.879 -6.675 278 HB2 SER 42 HB2 SER 42 -11.991 -7.763 -7.720 279 HB3 SER 42 HB1 SER 42 -11.901 -7.366 -6.006 280 HG SER 42 HG SER 42 -11.150 -5.375 -6.503 281 H ALA 43 HN ALA 43 -8.648 -5.841 -7.791 282 HA ALA 43 HA ALA 43 -8.753 -6.351 -10.553 283 HB1 ALA 43 HB1 ALA 43 -7.266 -4.574 -10.795 284 HB2 ALA 43 HB2 ALA 43 -6.404 -4.961 -9.305 285 HB3 ALA 43 HB3 ALA 43 -8.003 -4.221 -9.232 286 H VAL 44 HN VAL 44 -6.327 -7.233 -8.114 287 HA VAL 44 HA VAL 44 -4.496 -8.445 -9.917 288 HB VAL 44 HB VAL 44 -4.967 -8.824 -6.953 289 HG11 VAL 44 HG11 VAL 44 -3.402 -10.392 -8.830 290 HG12 VAL 44 HG12 VAL 44 -3.680 -10.669 -7.111 291 HG13 VAL 44 HG13 VAL 44 -2.361 -9.622 -7.635 292 HG21 VAL 44 HG21 VAL 44 -4.144 -6.599 -7.726 293 HG22 VAL 44 HG22 VAL 44 -2.784 -7.402 -8.511 294 HG23 VAL 44 HG23 VAL 44 -2.945 -7.455 -6.756 295 H VAL 45 HN VAL 45 -7.161 -9.683 -7.961 296 HA VAL 45 HA VAL 45 -6.850 -12.423 -8.516 297 HB VAL 45 HB VAL 45 -9.273 -10.780 -7.768 298 HG11 VAL 45 HG11 VAL 45 -8.997 -13.608 -8.564 299 HG12 VAL 45 HG12 VAL 45 -10.440 -12.595 -8.485 300 HG13 VAL 45 HG13 VAL 45 -9.820 -13.361 -7.023 301 HG21 VAL 45 HG21 VAL 45 -7.683 -10.811 -5.992 302 HG22 VAL 45 HG22 VAL 45 -7.278 -12.502 -6.284 303 HG23 VAL 45 HG23 VAL 45 -8.842 -12.079 -5.590 304 H GLU 46 HN GLU 46 -8.705 -9.897 -10.231 305 HA GLU 46 HA GLU 46 -10.041 -11.629 -12.005 306 HB2 GLU 46 HB2 GLU 46 -9.176 -8.745 -12.284 307 HB3 GLU 46 HB1 GLU 46 -10.163 -9.580 -13.485 308 HG2 GLU 46 HG2 GLU 46 -11.900 -10.006 -11.853 309 HG3 GLU 46 HG1 GLU 46 -10.895 -9.366 -10.553 310 H GLU 47 HN GLU 47 -6.912 -9.934 -12.320 311 HA GLU 47 HA GLU 47 -6.319 -10.760 -14.926 312 HB2 GLU 47 HB2 GLU 47 -5.058 -9.015 -13.728 313 HB3 GLU 47 HB1 GLU 47 -4.395 -10.241 -12.645 314 HG2 GLU 47 HG2 GLU 47 -3.342 -11.379 -14.550 315 HG3 GLU 47 HG1 GLU 47 -4.033 -10.193 -15.656 316 H MET 48 HN MET 48 -5.557 -12.313 -11.811 317 HA MET 48 HA MET 48 -4.161 -14.503 -13.003 318 HB2 MET 48 HB2 MET 48 -4.320 -15.546 -10.784 319 HB3 MET 48 HB1 MET 48 -3.805 -13.865 -10.654 320 HG2 MET 48 HG2 MET 48 -6.132 -13.200 -10.159 321 HG3 MET 48 HG1 MET 48 -6.630 -14.889 -10.250 322 HE1 MET 48 HE1 MET 48 -3.786 -12.798 -9.065 323 HE2 MET 48 HE2 MET 48 -3.584 -13.110 -7.343 324 HE3 MET 48 HE3 MET 48 -4.931 -12.122 -7.899 325 H ASN 49 HN ASN 49 -7.494 -13.998 -11.906 326 HA ASN 49 HA ASN 49 -8.399 -16.646 -12.376 327 HB2 ASN 49 HB2 ASN 49 -9.840 -13.995 -12.260 328 HB3 ASN 49 HB1 ASN 49 -10.678 -15.528 -12.498 329 HD21 ASN 49 HD21 ASN 49 -11.138 -13.940 -10.162 330 HD22 ASN 49 HD22 ASN 49 -10.526 -14.783 -8.821 331 H ALA 50 HN ALA 50 -8.233 -13.753 -14.380 332 HA ALA 50 HA ALA 50 -9.667 -14.735 -16.610 333 HB1 ALA 50 HB1 ALA 50 -8.270 -13.003 -17.876 334 HB2 ALA 50 HB2 ALA 50 -7.520 -12.632 -16.323 335 HB3 ALA 50 HB3 ALA 50 -9.254 -12.398 -16.544 336 H LYS 51 HN LYS 51 -6.231 -14.833 -15.769 337 HA LYS 51 HA LYS 51 -5.300 -16.016 -18.148 338 HB2 LYS 51 HB2 LYS 51 -4.232 -16.070 -15.323 339 HB3 LYS 51 HB1 LYS 51 -3.373 -16.779 -16.690 340 HG2 LYS 51 HG2 LYS 51 -3.312 -14.626 -17.829 341 HG3 LYS 51 HG1 LYS 51 -4.288 -13.892 -16.554 342 HD2 LYS 51 HD2 LYS 51 -1.968 -13.330 -16.140 343 HD3 LYS 51 HD1 LYS 51 -2.477 -14.493 -14.915 344 HE2 LYS 51 HE2 LYS 51 -1.453 -16.321 -16.182 345 HE3 LYS 51 HE1 LYS 51 -1.000 -15.202 -17.468 346 HZ1 LYS 51 HZ1 LYS 51 0.773 -15.750 -15.785 347 HZ2 LYS 51 HZ2 LYS 51 -0.122 -14.839 -14.664 348 HZ3 LYS 51 HZ3 LYS 51 0.499 -14.100 -16.062 349 H ALA 52 HN ALA 52 -6.531 -17.460 -15.141 350 HA ALA 52 HA ALA 52 -5.898 -20.132 -15.713 351 HB1 ALA 52 HB1 ALA 52 -7.659 -20.686 -14.080 352 HB2 ALA 52 HB2 ALA 52 -8.226 -19.018 -14.132 353 HB3 ALA 52 HB3 ALA 52 -6.623 -19.385 -13.496 354 H ALA 53 HN ALA 53 -8.687 -18.151 -16.612 355 HA ALA 53 HA ALA 53 -10.262 -20.238 -17.715 356 HB1 ALA 53 HB1 ALA 53 -11.499 -18.449 -18.823 357 HB2 ALA 53 HB2 ALA 53 -10.198 -17.309 -18.485 358 HB3 ALA 53 HB3 ALA 53 -11.144 -17.983 -17.159 359 H GLN 54 HN GLN 54 -7.776 -18.123 -19.002 360 HA GLN 54 HA GLN 54 -8.011 -19.018 -21.723 361 HB2 GLN 54 HB2 GLN 54 -7.052 -16.789 -20.966 362 HB3 GLN 54 HB1 GLN 54 -5.612 -17.680 -20.471 363 HG2 GLN 54 HG2 GLN 54 -5.248 -18.476 -22.725 364 HG3 GLN 54 HG1 GLN 54 -6.786 -17.802 -23.260 365 HE21 GLN 54 HE21 GLN 54 -5.325 -15.700 -21.023 366 HE22 GLN 54 HE22 GLN 54 -4.606 -14.634 -22.131 367 H LEU 55 HN LEU 55 -6.283 -20.039 -18.885 368 HA LEU 55 HA LEU 55 -4.283 -21.598 -20.166 369 HB2 LEU 55 HB2 LEU 55 -5.435 -21.606 -17.382 370 HB3 LEU 55 HB1 LEU 55 -4.152 -22.708 -17.877 371 HG LEU 55 HG LEU 55 -3.972 -19.706 -18.215 372 HD11 LEU 55 HD11 LEU 55 -4.101 -20.872 -15.783 373 HD12 LEU 55 HD12 LEU 55 -3.064 -19.485 -16.117 374 HD13 LEU 55 HD13 LEU 55 -2.388 -21.114 -16.128 375 HD21 LEU 55 HD21 LEU 55 -2.066 -20.194 -19.309 376 HD22 LEU 55 HD22 LEU 55 -2.442 -21.911 -19.160 377 HD23 LEU 55 HD23 LEU 55 -1.482 -21.106 -17.917 378 H LYS 56 HN LYS 56 -4.172 -23.704 -20.670 379 HA LYS 56 HA LYS 56 -6.710 -25.174 -20.855 380 HB2 LYS 56 HB2 LYS 56 -4.021 -25.627 -22.174 381 HB3 LYS 56 HB1 LYS 56 -5.440 -26.648 -22.411 382 HG2 LYS 56 HG2 LYS 56 -6.701 -24.705 -23.262 383 HG3 LYS 56 HG1 LYS 56 -5.282 -23.683 -23.030 384 HD2 LYS 56 HD2 LYS 56 -4.009 -25.087 -24.612 385 HD3 LYS 56 HD1 LYS 56 -5.431 -26.105 -24.851 386 HE2 LYS 56 HE2 LYS 56 -6.687 -24.163 -25.706 387 HE3 LYS 56 HE1 LYS 56 -5.271 -23.139 -25.465 388 HZ1 LYS 56 HZ1 LYS 56 -5.743 -25.220 -27.467 389 HZ2 LYS 56 HZ2 LYS 56 -4.154 -25.001 -26.910 390 HZ3 LYS 56 HZ3 LYS 56 -4.987 -23.711 -27.634 391 H ASP 57 HN ASP 57 -6.404 -27.654 -20.592 392 HA ASP 57 HA ASP 57 -5.720 -28.201 -17.925 393 HB2 ASP 57 HB2 ASP 57 -7.262 -29.552 -19.390 394 HB3 ASP 57 HB1 ASP 57 -5.833 -30.203 -20.188 395 H GLY 58 HN GLY 58 -3.971 -29.362 -17.021 396 HA2 GLY 58 HA2 GLY 58 -1.822 -30.267 -16.932 397 HA3 GLY 58 HA1 GLY 58 -1.653 -29.979 -18.660 398 H GLU 59 HN GLU 59 -2.812 -27.200 -17.223 399 HA GLU 59 HA GLU 59 -0.098 -26.141 -16.736 400 HB2 GLU 59 HB2 GLU 59 -2.282 -24.901 -18.413 401 HB3 GLU 59 HB1 GLU 59 -0.889 -23.997 -17.813 402 HG2 GLU 59 HG2 GLU 59 0.642 -25.475 -18.972 403 HG3 GLU 59 HG1 GLU 59 -0.683 -26.530 -19.461 404 H TRP 60 HN TRP 60 0.043 -24.410 -15.252 405 HA TRP 60 HA TRP 60 -2.406 -23.760 -13.765 406 HB2 TRP 60 HB2 TRP 60 0.156 -24.556 -12.376 407 HB3 TRP 60 HB1 TRP 60 -1.412 -24.234 -11.639 408 HD1 TRP 60 HD1 TRP 60 0.646 -27.021 -12.528 409 HE1 TRP 60 HE1 TRP 60 -0.718 -29.174 -12.912 410 HE3 TRP 60 HE3 TRP 60 -4.038 -25.032 -12.959 411 HZ2 TRP 60 HZ2 TRP 60 -3.432 -29.950 -13.348 412 HZ3 TRP 60 HZ3 TRP 60 -5.992 -26.504 -13.361 413 HH2 TRP 60 HH2 TRP 60 -5.695 -28.956 -13.557 414 H LEU 61 HN LEU 61 -2.268 -21.806 -12.573 415 HA LEU 61 HA LEU 61 -0.198 -19.981 -13.609 416 HB2 LEU 61 HB2 LEU 61 -2.576 -19.367 -13.994 417 HB3 LEU 61 HB1 LEU 61 -2.829 -19.339 -12.248 418 HG LEU 61 HG LEU 61 -1.101 -17.594 -12.020 419 HD11 LEU 61 HD11 LEU 61 -0.991 -17.841 -15.043 420 HD12 LEU 61 HD12 LEU 61 0.309 -18.213 -13.912 421 HD13 LEU 61 HD13 LEU 61 -0.225 -16.544 -14.122 422 HD21 LEU 61 HD21 LEU 61 -3.483 -17.233 -13.798 423 HD22 LEU 61 HD22 LEU 61 -2.359 -15.884 -13.642 424 HD23 LEU 61 HD23 LEU 61 -3.156 -16.537 -12.212 425 H ASN 62 HN ASN 62 1.084 -18.753 -12.223 426 HA ASN 62 HA ASN 62 1.150 -19.734 -9.452 427 HB2 ASN 62 HB2 ASN 62 3.189 -18.635 -11.340 428 HB3 ASN 62 HB1 ASN 62 3.447 -18.467 -9.609 429 HD21 ASN 62 HD21 ASN 62 3.513 -20.509 -8.314 430 HD22 ASN 62 HD22 ASN 62 3.948 -21.961 -9.074 431 H VAL 63 HN VAL 63 0.682 -18.444 -7.796 432 HA VAL 63 HA VAL 63 0.476 -15.530 -8.291 433 HB VAL 63 HB VAL 63 -1.259 -17.253 -6.502 434 HG11 VAL 63 HG11 VAL 63 -2.541 -14.989 -6.417 435 HG12 VAL 63 HG12 VAL 63 -1.009 -14.278 -6.924 436 HG13 VAL 63 HG13 VAL 63 -1.107 -15.173 -5.407 437 HG21 VAL 63 HG21 VAL 63 -1.439 -16.379 -9.284 438 HG22 VAL 63 HG22 VAL 63 -2.823 -15.842 -8.331 439 HG23 VAL 63 HG23 VAL 63 -2.424 -17.557 -8.417 440 H SER 64 HN SER 64 1.738 -14.303 -7.010 441 HA SER 64 HA SER 64 2.403 -15.167 -4.314 442 HB2 SER 64 HB2 SER 64 4.123 -16.241 -5.777 443 HB3 SER 64 HB1 SER 64 4.592 -14.637 -6.334 444 HG SER 64 HG SER 64 5.499 -14.242 -4.453 445 H HIS 65 HN HIS 65 4.066 -13.438 -3.404 446 HA HIS 65 HA HIS 65 3.318 -10.763 -4.410 447 HB2 HIS 65 HB2 HIS 65 2.872 -9.974 -2.192 448 HB3 HIS 65 HB1 HIS 65 1.950 -11.465 -2.389 449 HD1 HIS 65 HD1 HIS 65 3.044 -13.667 -1.312 450 HD2 HIS 65 HD2 HIS 65 4.779 -10.058 -0.155 451 HE1 HIS 65 HE1 HIS 65 4.433 -14.167 0.744 452 H GLU 66 HN GLU 66 4.807 -9.038 -3.575 453 HA GLU 66 HA GLU 66 7.527 -10.139 -3.281 454 HB2 GLU 66 HB2 GLU 66 6.535 -7.545 -4.474 455 HB3 GLU 66 HB1 GLU 66 8.237 -7.894 -4.184 456 HG2 GLU 66 HG2 GLU 66 8.026 -9.936 -5.596 457 HG3 GLU 66 HG1 GLU 66 6.355 -9.494 -5.936 458 H ALA 67 HN ALA 67 8.797 -9.503 -1.617 459 HA ALA 67 HA ALA 67 7.594 -7.648 0.347 460 HB1 ALA 67 HB1 ALA 67 8.511 -10.315 0.656 461 HB2 ALA 67 HB2 ALA 67 7.939 -9.213 1.910 462 HB3 ALA 67 HB3 ALA 67 9.654 -9.271 1.505 Start of MODEL 10 1 H MET 1 HT1 MET 1 1.964 -1.689 -0.482 2 HA MET 1 HA MET 1 3.251 -0.409 -2.803 3 HB2 MET 1 HB2 MET 1 5.176 -1.237 -0.838 4 HG2 MET 1 HG2 MET 1 4.607 0.759 0.737 5 HE1 MET 1 HE1 MET 1 2.329 -1.068 3.419 6 HE2 MET 1 HE2 MET 1 2.044 0.260 2.298 7 HE3 MET 1 HE3 MET 1 3.526 0.223 3.248 8 H THR 2 HN THR 2 1.854 -2.997 -1.421 9 HA THR 2 HA THR 2 3.770 -5.069 -1.863 10 HB THR 2 HB THR 2 0.748 -5.217 -1.721 11 HG1 THR 2 HG1 THR 2 1.343 -4.564 0.225 12 HG21 THR 2 HG21 THR 2 1.046 -7.568 -1.328 13 HG22 THR 2 HG22 THR 2 2.799 -7.391 -1.246 14 HG23 THR 2 HG23 THR 2 1.961 -7.174 -2.783 15 H THR 3 HN THR 3 4.238 -6.205 -3.657 16 HA THR 3 HA THR 3 2.693 -5.594 -6.108 17 HB THR 3 HB THR 3 5.639 -6.229 -5.823 18 HG1 THR 3 HG1 THR 3 5.284 -4.139 -5.264 19 HG21 THR 3 HG21 THR 3 3.769 -6.178 -8.114 20 HG22 THR 3 HG22 THR 3 5.301 -7.029 -7.926 21 HG23 THR 3 HG23 THR 3 5.290 -5.320 -8.358 22 H PHE 4 HN PHE 4 1.781 -7.245 -7.132 23 HA PHE 4 HA PHE 4 2.486 -9.974 -6.257 24 HB2 PHE 4 HB2 PHE 4 -0.031 -8.873 -7.530 25 HB3 PHE 4 HB1 PHE 4 0.242 -10.569 -7.149 26 HD1 PHE 4 HD1 PHE 4 -0.386 -7.225 -5.770 27 HD2 PHE 4 HD2 PHE 4 0.348 -11.350 -4.826 28 HE1 PHE 4 HE1 PHE 4 -1.132 -6.823 -3.440 29 HE2 PHE 4 HE2 PHE 4 -0.395 -10.948 -2.494 30 HZ PHE 4 HZ PHE 4 -1.135 -8.684 -1.801 31 H THR 5 HN THR 5 3.234 -11.429 -7.666 32 HA THR 5 HA THR 5 3.221 -10.731 -10.537 33 HB THR 5 HB THR 5 5.488 -11.644 -10.714 34 HG1 THR 5 HG1 THR 5 5.847 -13.016 -9.144 35 HG21 THR 5 HG21 THR 5 5.270 -9.573 -8.516 36 HG22 THR 5 HG22 THR 5 5.158 -9.228 -10.242 37 HG23 THR 5 HG23 THR 5 6.666 -9.840 -9.562 38 H SER 6 HN SER 6 3.474 -12.598 -11.972 39 HA SER 6 HA SER 6 2.997 -15.234 -10.837 40 HB2 SER 6 HB2 SER 6 0.896 -15.602 -11.999 41 HB3 SER 6 HB1 SER 6 0.738 -14.199 -10.944 42 HG SER 6 HG SER 6 1.013 -14.326 -13.749 43 H ILE 7 HN ILE 7 2.998 -16.933 -12.486 44 HA ILE 7 HA ILE 7 4.038 -16.187 -15.119 45 HB ILE 7 HB ILE 7 5.985 -16.528 -13.514 46 HG12 ILE 7 HG12 ILE 7 7.199 -18.001 -15.117 47 HG13 ILE 7 HG11 ILE 7 5.658 -18.421 -15.866 48 HG21 ILE 7 HG21 ILE 7 5.195 -19.440 -13.714 49 HG22 ILE 7 HG22 ILE 7 4.762 -18.440 -12.327 50 HG23 ILE 7 HG23 ILE 7 6.459 -18.723 -12.713 51 HD11 ILE 7 HD11 ILE 7 5.679 -16.531 -17.088 52 HD12 ILE 7 HD12 ILE 7 7.299 -16.204 -16.472 53 HD13 ILE 7 HD13 ILE 7 5.889 -15.551 -15.637 54 H VAL 8 HN VAL 8 3.891 -18.004 -16.654 55 HA VAL 8 HA VAL 8 1.742 -19.839 -15.836 56 HB VAL 8 HB VAL 8 1.307 -18.521 -17.837 57 HG11 VAL 8 HG11 VAL 8 2.879 -18.119 -19.406 58 HG12 VAL 8 HG12 VAL 8 3.274 -19.833 -19.547 59 HG13 VAL 8 HG13 VAL 8 4.034 -18.853 -18.292 60 HG21 VAL 8 HG21 VAL 8 0.245 -20.304 -18.721 61 HG22 VAL 8 HG22 VAL 8 1.180 -21.330 -17.635 62 HG23 VAL 8 HG23 VAL 8 1.770 -21.002 -19.264 63 H THR 9 HN THR 9 2.563 -21.582 -14.927 64 HA THR 9 HA THR 9 4.150 -23.410 -16.534 65 HB THR 9 HB THR 9 5.818 -22.007 -15.215 66 HG1 THR 9 HG1 THR 9 6.139 -24.227 -15.892 67 HG21 THR 9 HG21 THR 9 5.964 -22.472 -12.799 68 HG22 THR 9 HG22 THR 9 4.510 -23.465 -12.898 69 HG23 THR 9 HG23 THR 9 4.415 -21.728 -13.200 70 H THR 10 HN THR 10 3.921 -25.647 -15.689 71 HA THR 10 HA THR 10 1.924 -25.749 -13.510 72 HB THR 10 HB THR 10 0.502 -26.387 -15.151 73 HG1 THR 10 HG1 THR 10 0.702 -28.717 -15.487 74 HG21 THR 10 HG21 THR 10 3.018 -26.789 -16.645 75 HG22 THR 10 HG22 THR 10 1.494 -26.080 -17.177 76 HG23 THR 10 HG23 THR 10 1.689 -27.833 -17.140 77 H ASN 11 HN ASN 11 3.446 -26.264 -11.988 78 HA ASN 11 HA ASN 11 4.117 -29.081 -11.813 79 HB2 ASN 11 HB2 ASN 11 6.548 -28.556 -11.364 80 HB3 ASN 11 HB1 ASN 11 6.048 -28.372 -13.045 81 HD21 ASN 11 HD21 ASN 11 7.390 -26.706 -10.319 82 HD22 ASN 11 HD22 ASN 11 7.416 -25.158 -11.013 83 HA PRO 12 HA PRO 12 3.527 -26.434 -7.901 84 HB2 PRO 12 HB2 PRO 12 0.944 -27.108 -7.319 85 HB3 PRO 12 HB1 PRO 12 1.380 -25.709 -8.319 86 HG2 PRO 12 HG2 PRO 12 0.455 -28.412 -9.160 87 HG3 PRO 12 HG1 PRO 12 0.012 -26.817 -9.796 88 HD2 PRO 12 HD2 PRO 12 1.822 -28.436 -11.041 89 HD3 PRO 12 HD1 PRO 12 1.910 -26.662 -11.115 90 H ASP 13 HN ASP 13 4.689 -27.627 -6.488 91 HA ASP 13 HA ASP 13 4.012 -30.433 -6.025 92 HB2 ASP 13 HB2 ASP 13 6.332 -28.695 -5.175 93 HB3 ASP 13 HB1 ASP 13 6.102 -30.341 -4.587 94 H PHE 14 HN PHE 14 3.961 -31.221 -3.779 95 HA PHE 14 HA PHE 14 2.427 -29.359 -2.082 96 HB2 PHE 14 HB2 PHE 14 2.634 -32.380 -2.030 97 HB3 PHE 14 HB1 PHE 14 1.674 -31.415 -0.908 98 HD1 PHE 14 HD1 PHE 14 1.942 -32.698 -4.329 99 HD2 PHE 14 HD2 PHE 14 -0.289 -30.138 -1.700 100 HE1 PHE 14 HE1 PHE 14 0.085 -32.631 -5.971 101 HE2 PHE 14 HE2 PHE 14 -2.146 -30.071 -3.342 102 HZ PHE 14 HZ PHE 14 -1.959 -31.318 -5.477 103 H GLY 15 HN GLY 15 5.514 -30.150 -2.469 104 HA2 GLY 15 HA2 GLY 15 6.434 -31.021 0.050 105 HA3 GLY 15 HA1 GLY 15 7.389 -30.155 -1.149 106 H GLY 16 HN GLY 16 5.830 -27.769 -1.252 107 HA2 GLY 16 HA2 GLY 16 6.208 -26.706 1.484 108 HA3 GLY 16 HA1 GLY 16 6.777 -25.840 0.060 109 H PHE 17 HN PHE 17 5.420 -24.078 0.838 110 HA PHE 17 HA PHE 17 2.532 -24.510 0.461 111 HB2 PHE 17 HB2 PHE 17 2.231 -22.388 1.612 112 HB3 PHE 17 HB1 PHE 17 3.291 -23.426 2.568 113 HD1 PHE 17 HD1 PHE 17 5.700 -22.979 2.722 114 HD2 PHE 17 HD2 PHE 17 3.093 -20.419 0.463 115 HE1 PHE 17 HE1 PHE 17 7.474 -21.248 2.637 116 HE2 PHE 17 HE2 PHE 17 4.867 -18.687 0.378 117 HZ PHE 17 HZ PHE 17 7.056 -19.103 1.463 118 H GLU 18 HN GLU 18 1.672 -23.987 -1.421 119 HA GLU 18 HA GLU 18 2.430 -21.554 -2.795 120 HB2 GLU 18 HB2 GLU 18 2.873 -24.271 -4.051 121 HB3 GLU 18 HB1 GLU 18 2.776 -22.773 -4.977 122 HG2 GLU 18 HG2 GLU 18 4.684 -21.852 -3.807 123 HG3 GLU 18 HG1 GLU 18 4.724 -23.224 -2.701 124 H PHE 19 HN PHE 19 0.719 -20.760 -4.026 125 HA PHE 19 HA PHE 19 -1.710 -22.440 -3.997 126 HB2 PHE 19 HB2 PHE 19 -1.813 -20.321 -2.680 127 HB3 PHE 19 HB1 PHE 19 -1.533 -19.425 -4.174 128 HD1 PHE 19 HD1 PHE 19 -3.887 -21.616 -2.356 129 HD2 PHE 19 HD2 PHE 19 -3.255 -19.236 -5.874 130 HE1 PHE 19 HE1 PHE 19 -6.303 -21.770 -2.894 131 HE2 PHE 19 HE2 PHE 19 -5.672 -19.392 -6.409 132 HZ PHE 19 HZ PHE 19 -7.195 -20.657 -4.920 133 H TYR 20 HN TYR 20 -2.574 -23.038 -5.882 134 HA TYR 20 HA TYR 20 -1.756 -21.588 -8.332 135 HB2 TYR 20 HB2 TYR 20 -2.055 -24.582 -7.974 136 HB3 TYR 20 HB1 TYR 20 -1.721 -23.767 -9.504 137 HD1 TYR 20 HD1 TYR 20 0.451 -22.811 -9.978 138 HD2 TYR 20 HD2 TYR 20 -0.377 -24.609 -6.166 139 HE1 TYR 20 HE1 TYR 20 2.871 -22.795 -9.446 140 HE2 TYR 20 HE2 TYR 20 2.046 -24.593 -5.632 141 HH TYR 20 HH TYR 20 4.268 -24.596 -7.194 142 H VAL 21 HN VAL 21 -3.387 -21.126 -9.759 143 HA VAL 21 HA VAL 21 -6.103 -21.721 -8.894 144 HB VAL 21 HB VAL 21 -5.012 -20.058 -11.178 145 HG11 VAL 21 HG11 VAL 21 -7.809 -20.831 -10.375 146 HG12 VAL 21 HG12 VAL 21 -7.102 -20.756 -11.989 147 HG13 VAL 21 HG13 VAL 21 -7.508 -19.267 -11.135 148 HG21 VAL 21 HG21 VAL 21 -6.501 -19.270 -8.658 149 HG22 VAL 21 HG22 VAL 21 -5.785 -18.179 -9.845 150 HG23 VAL 21 HG23 VAL 21 -4.746 -19.185 -8.832 151 H GLU 22 HN GLU 22 -7.100 -23.512 -9.526 152 HA GLU 22 HA GLU 22 -6.114 -25.195 -11.603 153 HB2 GLU 22 HB2 GLU 22 -7.410 -26.050 -9.671 154 HB3 GLU 22 HB1 GLU 22 -8.833 -25.197 -10.267 155 HG2 GLU 22 HG2 GLU 22 -8.762 -26.498 -12.350 156 HG3 GLU 22 HG1 GLU 22 -7.314 -27.332 -11.791 157 H ALA 23 HN ALA 23 -6.685 -25.317 -13.730 158 HA ALA 23 HA ALA 23 -7.714 -23.119 -15.064 159 HB1 ALA 23 HB1 ALA 23 -8.276 -24.883 -16.895 160 HB2 ALA 23 HB2 ALA 23 -7.502 -26.025 -15.797 161 HB3 ALA 23 HB3 ALA 23 -6.591 -24.654 -16.426 162 H GLY 24 HN GLY 24 -9.695 -22.345 -15.469 163 HA2 GLY 24 HA2 GLY 24 -12.005 -22.272 -15.684 164 HA3 GLY 24 HA1 GLY 24 -12.052 -24.007 -15.395 165 H GLN 25 HN GLN 25 -10.273 -22.239 -13.042 166 HA GLN 25 HA GLN 25 -12.617 -22.314 -11.237 167 HB2 GLN 25 HB2 GLN 25 -9.727 -22.906 -10.561 168 HB3 GLN 25 HB1 GLN 25 -11.054 -22.838 -9.399 169 HG2 GLN 25 HG2 GLN 25 -10.815 -24.749 -11.742 170 HG3 GLN 25 HG1 GLN 25 -10.659 -25.162 -10.036 171 HE21 GLN 25 HE21 GLN 25 -12.743 -24.235 -8.720 172 HE22 GLN 25 HE22 GLN 25 -14.229 -24.630 -9.438 173 H GLN 26 HN GLN 26 -12.740 -20.713 -9.631 174 HA GLN 26 HA GLN 26 -11.504 -18.193 -10.442 175 HB2 GLN 26 HB2 GLN 26 -13.928 -18.239 -10.053 176 HB3 GLN 26 HB1 GLN 26 -13.654 -18.754 -8.389 177 HG2 GLN 26 HG2 GLN 26 -12.379 -16.680 -7.960 178 HG3 GLN 26 HG1 GLN 26 -12.682 -16.159 -9.617 179 HE21 GLN 26 HE21 GLN 26 -14.363 -14.675 -9.697 180 HE22 GLN 26 HE22 GLN 26 -15.738 -14.704 -8.701 181 H PHE 27 HN PHE 27 -9.785 -17.410 -9.488 182 HA PHE 27 HA PHE 27 -8.387 -18.605 -7.385 183 HB2 PHE 27 HB2 PHE 27 -7.314 -17.046 -8.914 184 HB3 PHE 27 HB1 PHE 27 -8.351 -15.736 -8.352 185 HD1 PHE 27 HD1 PHE 27 -7.853 -14.523 -6.367 186 HD2 PHE 27 HD2 PHE 27 -5.683 -18.107 -7.304 187 HE1 PHE 27 HE1 PHE 27 -6.246 -14.028 -4.543 188 HE2 PHE 27 HE2 PHE 27 -4.077 -17.613 -5.479 189 HZ PHE 27 HZ PHE 27 -4.359 -15.574 -4.099 190 H ASP 28 HN ASP 28 -8.672 -18.647 -5.272 191 HA ASP 28 HA ASP 28 -10.712 -16.905 -4.083 192 HB2 ASP 28 HB2 ASP 28 -9.299 -19.343 -2.978 193 HB3 ASP 28 HB1 ASP 28 -10.608 -18.468 -2.192 194 H ASP 29 HN ASP 29 -10.084 -15.119 -3.076 195 HA ASP 29 HA ASP 29 -7.309 -14.684 -2.394 196 HB2 ASP 29 HB2 ASP 29 -8.057 -12.445 -1.747 197 HB3 ASP 29 HB1 ASP 29 -8.688 -12.875 -3.336 198 H SER 30 HN SER 30 -10.005 -16.009 -0.789 199 HA SER 30 HA SER 30 -9.519 -15.086 1.852 200 HB2 SER 30 HB2 SER 30 -10.833 -17.615 0.841 201 HB3 SER 30 HB1 SER 30 -10.831 -17.103 2.526 202 HG SER 30 HG SER 30 -11.735 -15.069 1.657 203 H ALA 31 HN ALA 31 -8.445 -17.988 0.086 204 HA ALA 31 HA ALA 31 -6.981 -19.101 2.250 205 HB1 ALA 31 HB1 ALA 31 -6.587 -20.803 0.816 206 HB2 ALA 31 HB2 ALA 31 -6.024 -19.724 -0.460 207 HB3 ALA 31 HB3 ALA 31 -7.752 -19.980 -0.222 208 H TYR 32 HN TYR 32 -6.083 -17.023 -0.471 209 HA TYR 32 HA TYR 32 -3.298 -17.047 -0.073 210 HB2 TYR 32 HB2 TYR 32 -4.371 -16.173 -2.113 211 HB3 TYR 32 HB1 TYR 32 -5.011 -14.814 -1.186 212 HD1 TYR 32 HD1 TYR 32 -1.949 -16.398 -2.510 213 HD2 TYR 32 HD2 TYR 32 -3.571 -13.013 -0.425 214 HE1 TYR 32 HE1 TYR 32 0.195 -15.189 -2.806 215 HE2 TYR 32 HE2 TYR 32 -1.428 -11.802 -0.726 216 HH TYR 32 HH TYR 32 1.359 -13.142 -1.362 217 H GLU 33 HN GLU 33 -5.772 -14.779 1.105 218 HA GLU 33 HA GLU 33 -3.938 -13.155 2.559 219 HB2 GLU 33 HB2 GLU 33 -5.924 -12.195 3.619 220 HB3 GLU 33 HB1 GLU 33 -6.173 -12.353 1.880 221 HG2 GLU 33 HG2 GLU 33 -8.166 -13.211 2.784 222 HG3 GLU 33 HG1 GLU 33 -7.213 -14.658 2.461 223 H GLU 34 HN GLU 34 -5.744 -16.057 3.299 224 HA GLU 34 HA GLU 34 -5.489 -16.009 6.105 225 HB2 GLU 34 HB2 GLU 34 -6.984 -17.567 4.928 226 HB3 GLU 34 HB1 GLU 34 -5.582 -18.413 4.266 227 HG2 GLU 34 HG2 GLU 34 -4.827 -18.969 6.538 228 HG3 GLU 34 HG1 GLU 34 -6.197 -18.095 7.218 229 H ALA 35 HN ALA 35 -3.402 -17.557 3.640 230 HA ALA 35 HA ALA 35 -1.459 -18.394 5.588 231 HB1 ALA 35 HB1 ALA 35 -0.135 -18.483 3.203 232 HB2 ALA 35 HB2 ALA 35 -1.814 -18.592 2.673 233 HB3 ALA 35 HB3 ALA 35 -1.172 -19.771 3.817 234 H TYR 36 HN TYR 36 -1.549 -15.865 3.100 235 HA TYR 36 HA TYR 36 0.989 -14.753 3.860 236 HB2 TYR 36 HB2 TYR 36 -1.226 -13.774 2.056 237 HB3 TYR 36 HB1 TYR 36 0.264 -12.870 2.328 238 HD1 TYR 36 HD1 TYR 36 -1.235 -15.833 0.766 239 HD2 TYR 36 HD2 TYR 36 2.441 -13.773 1.599 240 HE1 TYR 36 HE1 TYR 36 -0.067 -17.238 -0.910 241 HE2 TYR 36 HE2 TYR 36 3.609 -15.176 -0.077 242 HH TYR 36 HH TYR 36 2.663 -16.539 -2.310 243 H GLY 37 HN GLY 37 -2.303 -14.278 4.820 244 HA2 GLY 37 HA2 GLY 37 -3.150 -13.093 6.620 245 HA3 GLY 37 HA1 GLY 37 -1.511 -12.574 6.997 246 H VAL 38 HN VAL 38 -2.550 -12.066 3.763 247 HA VAL 38 HA VAL 38 -3.271 -9.267 4.362 248 HB VAL 38 HB VAL 38 -1.891 -8.529 2.438 249 HG11 VAL 38 HG11 VAL 38 -1.075 -9.211 5.019 250 HG12 VAL 38 HG12 VAL 38 -0.201 -8.173 3.894 251 HG13 VAL 38 HG13 VAL 38 0.175 -9.894 3.979 252 HG21 VAL 38 HG21 VAL 38 -1.451 -10.245 0.988 253 HG22 VAL 38 HG22 VAL 38 -1.480 -11.462 2.262 254 HG23 VAL 38 HG23 VAL 38 -0.039 -10.476 2.019 255 H SER 39 HN SER 39 -4.827 -8.398 3.111 256 HA SER 39 HA SER 39 -6.541 -10.108 1.635 257 HB2 SER 39 HB2 SER 39 -6.426 -7.088 1.765 258 HB3 SER 39 HB1 SER 39 -7.739 -8.013 1.042 259 HG SER 39 HG SER 39 -6.948 -7.788 3.728 260 H VAL 40 HN VAL 40 -6.959 -10.249 -0.560 261 HA VAL 40 HA VAL 40 -4.754 -9.353 -2.304 262 HB VAL 40 HB VAL 40 -6.828 -11.508 -2.766 263 HG11 VAL 40 HG11 VAL 40 -4.278 -10.938 -4.292 264 HG12 VAL 40 HG12 VAL 40 -5.856 -10.327 -4.792 265 HG13 VAL 40 HG13 VAL 40 -5.562 -12.066 -4.725 266 HG21 VAL 40 HG21 VAL 40 -5.368 -13.024 -1.884 267 HG22 VAL 40 HG22 VAL 40 -4.744 -11.624 -1.012 268 HG23 VAL 40 HG23 VAL 40 -3.954 -12.162 -2.494 269 HA PRO 41 HA PRO 41 -7.638 -6.255 -3.787 270 HB2 PRO 41 HB2 PRO 41 -5.601 -6.185 -5.978 271 HB3 PRO 41 HB1 PRO 41 -6.281 -4.849 -5.027 272 HG2 PRO 41 HG2 PRO 41 -3.836 -5.706 -4.545 273 HG3 PRO 41 HG1 PRO 41 -4.917 -5.283 -3.204 274 HD2 PRO 41 HD2 PRO 41 -4.149 -8.008 -4.214 275 HD3 PRO 41 HD1 PRO 41 -4.381 -7.450 -2.540 276 H SER 42 HN SER 42 -9.349 -6.379 -5.155 277 HA SER 42 HA SER 42 -9.948 -8.725 -6.553 278 HB2 SER 42 HB2 SER 42 -11.668 -7.186 -5.746 279 HB3 SER 42 HB1 SER 42 -11.124 -5.957 -6.884 280 HG SER 42 HG SER 42 -12.170 -8.529 -7.497 281 H ALA 43 HN ALA 43 -8.640 -5.636 -7.732 282 HA ALA 43 HA ALA 43 -8.876 -6.138 -10.475 283 HB1 ALA 43 HB1 ALA 43 -8.205 -3.968 -9.299 284 HB2 ALA 43 HB2 ALA 43 -7.358 -4.352 -10.797 285 HB3 ALA 43 HB3 ALA 43 -6.572 -4.634 -9.243 286 H VAL 44 HN VAL 44 -6.253 -7.004 -8.216 287 HA VAL 44 HA VAL 44 -4.596 -8.114 -10.278 288 HB VAL 44 HB VAL 44 -3.720 -7.296 -8.084 289 HG11 VAL 44 HG11 VAL 44 -3.867 -9.138 -6.248 290 HG12 VAL 44 HG12 VAL 44 -5.299 -9.671 -7.123 291 HG13 VAL 44 HG13 VAL 44 -5.231 -8.042 -6.454 292 HG21 VAL 44 HG21 VAL 44 -2.121 -9.164 -7.797 293 HG22 VAL 44 HG22 VAL 44 -2.398 -8.815 -9.502 294 HG23 VAL 44 HG23 VAL 44 -3.177 -10.207 -8.750 295 H VAL 45 HN VAL 45 -7.059 -9.358 -8.104 296 HA VAL 45 HA VAL 45 -6.626 -12.124 -8.539 297 HB VAL 45 HB VAL 45 -9.093 -10.576 -7.726 298 HG11 VAL 45 HG11 VAL 45 -10.266 -12.463 -8.081 299 HG12 VAL 45 HG12 VAL 45 -9.250 -13.266 -6.883 300 HG13 VAL 45 HG13 VAL 45 -8.809 -13.318 -8.591 301 HG21 VAL 45 HG21 VAL 45 -8.295 -12.105 -5.608 302 HG22 VAL 45 HG22 VAL 45 -7.796 -10.431 -5.852 303 HG23 VAL 45 HG23 VAL 45 -6.741 -11.747 -6.365 304 H GLU 46 HN GLU 46 -8.618 -9.708 -10.220 305 HA GLU 46 HA GLU 46 -10.043 -11.481 -11.868 306 HB2 GLU 46 HB2 GLU 46 -9.189 -8.611 -12.281 307 HB3 GLU 46 HB1 GLU 46 -10.253 -9.476 -13.391 308 HG2 GLU 46 HG2 GLU 46 -10.768 -9.029 -10.435 309 HG3 GLU 46 HG1 GLU 46 -11.570 -8.185 -11.760 310 H GLU 47 HN GLU 47 -6.912 -9.831 -12.406 311 HA GLU 47 HA GLU 47 -6.509 -10.733 -15.029 312 HB2 GLU 47 HB2 GLU 47 -5.094 -9.013 -13.972 313 HB3 GLU 47 HB1 GLU 47 -4.420 -10.235 -12.894 314 HG2 GLU 47 HG2 GLU 47 -2.905 -9.885 -14.777 315 HG3 GLU 47 HG1 GLU 47 -3.608 -11.499 -14.871 316 H MET 48 HN MET 48 -5.643 -12.216 -11.905 317 HA MET 48 HA MET 48 -4.359 -14.492 -12.994 318 HB2 MET 48 HB2 MET 48 -5.767 -14.027 -10.356 319 HB3 MET 48 HB1 MET 48 -4.894 -15.510 -10.744 320 HG2 MET 48 HG2 MET 48 -2.834 -14.229 -11.111 321 HG3 MET 48 HG1 MET 48 -3.695 -12.725 -10.789 322 HE1 MET 48 HE1 MET 48 -0.972 -13.879 -9.072 323 HE2 MET 48 HE2 MET 48 -1.504 -12.895 -7.711 324 HE3 MET 48 HE3 MET 48 -1.739 -12.310 -9.355 325 H ASN 49 HN ASN 49 -7.698 -13.737 -12.136 326 HA ASN 49 HA ASN 49 -8.823 -16.293 -12.552 327 HB2 ASN 49 HB2 ASN 49 -9.987 -13.511 -12.870 328 HB3 ASN 49 HB1 ASN 49 -10.943 -14.991 -12.946 329 HD21 ASN 49 HD21 ASN 49 -10.412 -16.518 -10.899 330 HD22 ASN 49 HD22 ASN 49 -10.394 -15.702 -9.409 331 H ALA 50 HN ALA 50 -8.195 -13.554 -14.678 332 HA ALA 50 HA ALA 50 -9.410 -14.582 -17.016 333 HB1 ALA 50 HB1 ALA 50 -7.815 -12.299 -16.280 334 HB2 ALA 50 HB2 ALA 50 -8.911 -12.491 -17.649 335 HB3 ALA 50 HB3 ALA 50 -7.222 -12.981 -17.794 336 H LYS 51 HN LYS 51 -6.134 -14.828 -15.703 337 HA LYS 51 HA LYS 51 -4.902 -16.076 -17.896 338 HB2 LYS 51 HB2 LYS 51 -4.336 -16.368 -14.934 339 HB3 LYS 51 HB1 LYS 51 -3.269 -16.930 -16.219 340 HG2 LYS 51 HG2 LYS 51 -4.132 -14.060 -15.759 341 HG3 LYS 51 HG1 LYS 51 -2.539 -14.729 -15.407 342 HD2 LYS 51 HD2 LYS 51 -2.352 -15.335 -17.849 343 HD3 LYS 51 HD1 LYS 51 -3.843 -14.430 -18.120 344 HE2 LYS 51 HE2 LYS 51 -1.918 -12.991 -18.574 345 HE3 LYS 51 HE1 LYS 51 -2.769 -12.413 -17.143 346 HZ1 LYS 51 HZ1 LYS 51 -1.156 -13.762 -15.816 347 HZ2 LYS 51 HZ2 LYS 51 -0.481 -12.428 -16.624 348 HZ3 LYS 51 HZ3 LYS 51 -0.267 -13.996 -17.241 349 H ALA 52 HN ALA 52 -6.701 -17.407 -15.146 350 HA ALA 52 HA ALA 52 -6.233 -20.133 -15.640 351 HB1 ALA 52 HB1 ALA 52 -7.434 -18.832 -13.652 352 HB2 ALA 52 HB2 ALA 52 -7.791 -20.524 -13.995 353 HB3 ALA 52 HB3 ALA 52 -8.877 -19.260 -14.571 354 H ALA 53 HN ALA 53 -8.581 -17.872 -16.983 355 HA ALA 53 HA ALA 53 -10.293 -19.732 -18.222 356 HB1 ALA 53 HB1 ALA 53 -10.841 -17.795 -19.746 357 HB2 ALA 53 HB2 ALA 53 -9.587 -16.877 -18.911 358 HB3 ALA 53 HB3 ALA 53 -10.998 -17.454 -18.023 359 H GLN 54 HN GLN 54 -7.269 -18.234 -19.301 360 HA GLN 54 HA GLN 54 -7.451 -19.519 -21.906 361 HB2 GLN 54 HB2 GLN 54 -5.413 -17.712 -20.615 362 HB3 GLN 54 HB1 GLN 54 -5.108 -18.510 -22.159 363 HG2 GLN 54 HG2 GLN 54 -6.019 -16.403 -22.749 364 HG3 GLN 54 HG1 GLN 54 -7.362 -17.530 -22.917 365 HE21 GLN 54 HE21 GLN 54 -9.210 -16.461 -22.190 366 HE22 GLN 54 HE22 GLN 54 -9.299 -15.555 -20.757 367 H LEU 55 HN LEU 55 -6.360 -20.353 -18.810 368 HA LEU 55 HA LEU 55 -4.161 -22.027 -19.593 369 HB2 LEU 55 HB2 LEU 55 -5.762 -21.757 -17.053 370 HB3 LEU 55 HB1 LEU 55 -4.489 -22.963 -17.236 371 HG LEU 55 HG LEU 55 -4.050 -20.018 -17.771 372 HD11 LEU 55 HD11 LEU 55 -4.487 -21.285 -15.267 373 HD12 LEU 55 HD12 LEU 55 -3.904 -19.645 -15.556 374 HD13 LEU 55 HD13 LEU 55 -2.756 -20.974 -15.387 375 HD21 LEU 55 HD21 LEU 55 -1.682 -21.232 -16.996 376 HD22 LEU 55 HD22 LEU 55 -2.157 -20.892 -18.660 377 HD23 LEU 55 HD23 LEU 55 -2.471 -22.481 -17.959 378 H LYS 56 HN LYS 56 -4.219 -23.966 -20.432 379 HA LYS 56 HA LYS 56 -6.754 -25.407 -20.636 380 HB2 LYS 56 HB2 LYS 56 -4.054 -26.087 -21.826 381 HB3 LYS 56 HB1 LYS 56 -5.605 -26.814 -22.250 382 HG2 LYS 56 HG2 LYS 56 -4.897 -23.885 -22.593 383 HG3 LYS 56 HG1 LYS 56 -4.945 -25.080 -23.889 384 HD2 LYS 56 HD2 LYS 56 -7.312 -24.409 -22.119 385 HD3 LYS 56 HD1 LYS 56 -7.042 -23.708 -23.715 386 HE2 LYS 56 HE2 LYS 56 -7.024 -25.999 -24.688 387 HE3 LYS 56 HE1 LYS 56 -7.384 -26.656 -23.092 388 HZ1 LYS 56 HZ1 LYS 56 -9.290 -24.823 -23.304 389 HZ2 LYS 56 HZ2 LYS 56 -9.489 -26.431 -23.814 390 HZ3 LYS 56 HZ3 LYS 56 -9.105 -25.220 -24.942 391 H ASP 57 HN ASP 57 -6.470 -27.919 -20.464 392 HA ASP 57 HA ASP 57 -5.953 -28.539 -17.768 393 HB2 ASP 57 HB2 ASP 57 -6.233 -30.279 -20.224 394 HB3 ASP 57 HB1 ASP 57 -6.040 -30.938 -18.601 395 H GLY 58 HN GLY 58 -4.234 -29.610 -16.768 396 HA2 GLY 58 HA2 GLY 58 -2.084 -30.451 -16.512 397 HA3 GLY 58 HA1 GLY 58 -1.882 -30.379 -18.262 398 H GLU 59 HN GLU 59 -3.049 -27.510 -16.825 399 HA GLU 59 HA GLU 59 -0.336 -26.342 -16.771 400 HB2 GLU 59 HB2 GLU 59 -2.813 -25.192 -18.058 401 HB3 GLU 59 HB1 GLU 59 -1.359 -24.251 -17.721 402 HG2 GLU 59 HG2 GLU 59 -0.022 -25.730 -19.112 403 HG3 GLU 59 HG1 GLU 59 -1.406 -26.789 -19.374 404 H TRP 60 HN TRP 60 -0.013 -24.644 -15.285 405 HA TRP 60 HA TRP 60 -2.243 -24.053 -13.459 406 HB2 TRP 60 HB2 TRP 60 0.516 -24.817 -12.486 407 HB3 TRP 60 HB1 TRP 60 -0.912 -24.487 -11.504 408 HD1 TRP 60 HD1 TRP 60 0.960 -27.267 -12.866 409 HE1 TRP 60 HE1 TRP 60 -0.446 -29.426 -12.937 410 HE3 TRP 60 HE3 TRP 60 -3.700 -25.309 -12.135 411 HZ2 TRP 60 HZ2 TRP 60 -3.184 -30.218 -12.716 412 HZ3 TRP 60 HZ3 TRP 60 -5.687 -26.790 -12.072 413 HH2 TRP 60 HH2 TRP 60 -5.435 -29.238 -12.362 414 H LEU 61 HN LEU 61 -2.065 -22.078 -12.369 415 HA LEU 61 HA LEU 61 -0.072 -20.222 -13.523 416 HB2 LEU 61 HB2 LEU 61 -2.444 -19.668 -13.973 417 HB3 LEU 61 HB1 LEU 61 -2.754 -19.626 -12.238 418 HG LEU 61 HG LEU 61 -1.090 -17.821 -11.981 419 HD11 LEU 61 HD11 LEU 61 0.454 -17.504 -13.589 420 HD12 LEU 61 HD12 LEU 61 -0.818 -17.021 -14.711 421 HD13 LEU 61 HD13 LEU 61 -0.340 -18.716 -14.596 422 HD21 LEU 61 HD21 LEU 61 -2.396 -16.239 -13.778 423 HD22 LEU 61 HD22 LEU 61 -3.087 -16.727 -12.230 424 HD23 LEU 61 HD23 LEU 61 -3.500 -17.613 -13.699 425 H ASN 62 HN ASN 62 1.255 -19.048 -12.170 426 HA ASN 62 HA ASN 62 1.178 -19.834 -9.334 427 HB2 ASN 62 HB2 ASN 62 3.327 -19.103 -11.249 428 HB3 ASN 62 HB1 ASN 62 3.549 -18.607 -9.576 429 HD21 ASN 62 HD21 ASN 62 3.542 -20.352 -7.907 430 HD22 ASN 62 HD22 ASN 62 3.925 -21.941 -8.358 431 H VAL 63 HN VAL 63 0.846 -18.405 -7.757 432 HA VAL 63 HA VAL 63 0.683 -15.537 -8.482 433 HB VAL 63 HB VAL 63 -0.960 -17.071 -6.449 434 HG11 VAL 63 HG11 VAL 63 -2.144 -14.620 -6.838 435 HG12 VAL 63 HG12 VAL 63 -0.431 -14.208 -6.900 436 HG13 VAL 63 HG13 VAL 63 -1.091 -15.020 -5.482 437 HG21 VAL 63 HG21 VAL 63 -1.760 -15.731 -9.054 438 HG22 VAL 63 HG22 VAL 63 -2.828 -16.609 -7.960 439 HG23 VAL 63 HG23 VAL 63 -1.566 -17.470 -8.838 440 H SER 64 HN SER 64 2.041 -14.226 -7.391 441 HA SER 64 HA SER 64 2.836 -14.870 -4.665 442 HB2 SER 64 HB2 SER 64 4.490 -16.069 -6.068 443 HB3 SER 64 HB1 SER 64 4.889 -14.552 -6.869 444 HG SER 64 HG SER 64 4.966 -14.801 -4.059 445 H HIS 65 HN HIS 65 4.452 -13.070 -3.918 446 HA HIS 65 HA HIS 65 3.963 -10.501 -5.238 447 HB2 HIS 65 HB2 HIS 65 3.014 -9.457 -3.301 448 HB3 HIS 65 HB1 HIS 65 2.081 -10.926 -3.592 449 HD1 HIS 65 HD1 HIS 65 2.843 -13.072 -2.110 450 HD2 HIS 65 HD2 HIS 65 4.198 -9.357 -0.790 451 HE1 HIS 65 HE1 HIS 65 3.605 -13.395 0.283 452 H GLU 66 HN GLU 66 5.273 -8.741 -4.238 453 HA GLU 66 HA GLU 66 7.798 -9.842 -3.211 454 HB2 GLU 66 HB2 GLU 66 7.941 -8.522 -5.284 455 HB3 GLU 66 HB1 GLU 66 7.198 -7.150 -4.459 456 HG2 GLU 66 HG2 GLU 66 9.064 -7.062 -2.872 457 HG3 GLU 66 HG1 GLU 66 9.801 -8.467 -3.639 458 H ALA 67 HN ALA 67 8.436 -9.427 -1.183 459 HA ALA 67 HA ALA 67 7.564 -7.048 0.224 460 HB1 ALA 67 HB1 ALA 67 5.833 -7.972 1.304 461 HB2 ALA 67 HB2 ALA 67 6.957 -9.104 2.058 462 HB3 ALA 67 HB3 ALA 67 6.150 -9.536 0.552 Start of MODEL 11 1 H MET 1 HT1 MET 1 4.515 -0.466 -0.376 2 HA MET 1 HA MET 1 2.029 -1.998 -0.467 3 HB2 MET 1 HB2 MET 1 3.664 -0.426 -2.485 4 HG2 MET 1 HG2 MET 1 2.644 0.948 -0.697 5 HE1 MET 1 HE1 MET 1 0.306 0.552 1.582 6 HE2 MET 1 HE2 MET 1 1.974 0.332 1.057 7 HE3 MET 1 HE3 MET 1 0.946 -1.075 1.315 8 H THR 2 HN THR 2 2.049 -4.080 -0.837 9 HA THR 2 HA THR 2 4.439 -5.454 -1.705 10 HB THR 2 HB THR 2 3.083 -7.478 -1.416 11 HG1 THR 2 HG1 THR 2 1.035 -7.237 -1.709 12 HG21 THR 2 HG21 THR 2 2.968 -5.384 0.747 13 HG22 THR 2 HG22 THR 2 4.108 -6.718 0.580 14 HG23 THR 2 HG23 THR 2 2.432 -7.041 1.019 15 H THR 3 HN THR 3 4.585 -6.797 -3.542 16 HA THR 3 HA THR 3 2.764 -6.021 -5.747 17 HB THR 3 HB THR 3 4.642 -6.150 -7.251 18 HG1 THR 3 HG1 THR 3 6.753 -6.553 -6.059 19 HG21 THR 3 HG21 THR 3 5.679 -4.763 -4.778 20 HG22 THR 3 HG22 THR 3 4.374 -4.098 -5.763 21 HG23 THR 3 HG23 THR 3 5.977 -4.332 -6.461 22 H PHE 4 HN PHE 4 2.077 -7.664 -7.140 23 HA PHE 4 HA PHE 4 2.751 -10.401 -6.260 24 HB2 PHE 4 HB2 PHE 4 0.162 -9.290 -7.372 25 HB3 PHE 4 HB1 PHE 4 0.466 -10.991 -7.041 26 HD1 PHE 4 HD1 PHE 4 0.555 -11.846 -4.773 27 HD2 PHE 4 HD2 PHE 4 0.029 -7.650 -5.516 28 HE1 PHE 4 HE1 PHE 4 -0.059 -11.503 -2.398 29 HE2 PHE 4 HE2 PHE 4 -0.588 -7.307 -3.141 30 HZ PHE 4 HZ PHE 4 -0.632 -9.233 -1.580 31 H THR 5 HN THR 5 3.341 -11.858 -7.817 32 HA THR 5 HA THR 5 3.135 -11.019 -10.639 33 HB THR 5 HB THR 5 5.403 -10.474 -9.803 34 HG1 THR 5 HG1 THR 5 6.475 -11.694 -11.440 35 HG21 THR 5 HG21 THR 5 6.531 -13.064 -9.652 36 HG22 THR 5 HG22 THR 5 5.113 -13.073 -8.604 37 HG23 THR 5 HG23 THR 5 6.387 -11.880 -8.354 38 H SER 6 HN SER 6 3.054 -12.664 -12.138 39 HA SER 6 HA SER 6 2.998 -15.414 -11.131 40 HB2 SER 6 HB2 SER 6 0.742 -14.107 -12.655 41 HB3 SER 6 HB1 SER 6 0.875 -15.841 -12.375 42 HG SER 6 HG SER 6 0.537 -13.740 -10.515 43 H ILE 7 HN ILE 7 3.261 -17.032 -12.734 44 HA ILE 7 HA ILE 7 3.997 -16.153 -15.432 45 HB ILE 7 HB ILE 7 5.738 -17.877 -13.643 46 HG12 ILE 7 HG12 ILE 7 6.340 -15.195 -14.922 47 HG13 ILE 7 HG11 ILE 7 5.781 -15.370 -13.257 48 HG21 ILE 7 HG21 ILE 7 5.959 -18.752 -15.831 49 HG22 ILE 7 HG22 ILE 7 7.294 -17.608 -15.691 50 HG23 ILE 7 HG23 ILE 7 5.834 -17.157 -16.572 51 HD11 ILE 7 HD11 ILE 7 8.409 -16.109 -14.462 52 HD12 ILE 7 HD12 ILE 7 7.785 -17.140 -13.175 53 HD13 ILE 7 HD13 ILE 7 8.054 -15.422 -12.877 54 H VAL 8 HN VAL 8 3.664 -17.864 -17.016 55 HA VAL 8 HA VAL 8 1.733 -19.812 -16.124 56 HB VAL 8 HB VAL 8 3.019 -19.364 -18.829 57 HG11 VAL 8 HG11 VAL 8 1.454 -21.542 -17.810 58 HG12 VAL 8 HG12 VAL 8 2.047 -21.295 -19.453 59 HG13 VAL 8 HG13 VAL 8 0.477 -20.646 -18.974 60 HG21 VAL 8 HG21 VAL 8 1.566 -17.518 -17.853 61 HG22 VAL 8 HG22 VAL 8 0.229 -18.669 -17.871 62 HG23 VAL 8 HG23 VAL 8 0.996 -18.184 -19.384 63 H THR 9 HN THR 9 2.527 -21.407 -14.947 64 HA THR 9 HA THR 9 4.343 -23.315 -16.181 65 HB THR 9 HB THR 9 5.093 -21.582 -13.896 66 HG1 THR 9 HG1 THR 9 6.302 -22.990 -15.998 67 HG21 THR 9 HG21 THR 9 6.381 -23.363 -12.801 68 HG22 THR 9 HG22 THR 9 5.727 -24.545 -13.935 69 HG23 THR 9 HG23 THR 9 4.658 -23.745 -12.783 70 H THR 10 HN THR 10 3.950 -25.451 -15.380 71 HA THR 10 HA THR 10 1.857 -25.519 -13.286 72 HB THR 10 HB THR 10 0.637 -26.356 -15.021 73 HG1 THR 10 HG1 THR 10 2.052 -28.740 -14.846 74 HG21 THR 10 HG21 THR 10 1.976 -27.835 -16.799 75 HG22 THR 10 HG22 THR 10 3.332 -26.895 -16.185 76 HG23 THR 10 HG23 THR 10 1.944 -26.075 -16.901 77 H ASN 11 HN ASN 11 3.337 -25.817 -11.603 78 HA ASN 11 HA ASN 11 4.468 -28.540 -11.464 79 HB2 ASN 11 HB2 ASN 11 5.823 -25.993 -10.549 80 HB3 ASN 11 HB1 ASN 11 6.435 -27.627 -10.293 81 HD21 ASN 11 HD21 ASN 11 6.355 -28.935 -12.593 82 HD22 ASN 11 HD22 ASN 11 7.072 -28.081 -13.874 83 HA PRO 12 HA PRO 12 1.729 -27.484 -7.843 84 HB2 PRO 12 HB2 PRO 12 0.610 -30.015 -7.764 85 HB3 PRO 12 HB1 PRO 12 -0.083 -28.638 -8.639 86 HG2 PRO 12 HG2 PRO 12 1.549 -30.907 -9.667 87 HG3 PRO 12 HG1 PRO 12 0.159 -30.087 -10.404 88 HD2 PRO 12 HD2 PRO 12 2.703 -29.586 -11.207 89 HD3 PRO 12 HD1 PRO 12 1.452 -28.323 -11.207 90 H ASP 13 HN ASP 13 3.026 -27.487 -6.117 91 HA ASP 13 HA ASP 13 4.207 -30.045 -5.232 92 HB2 ASP 13 HB2 ASP 13 5.911 -28.504 -6.264 93 HB3 ASP 13 HB1 ASP 13 5.557 -27.352 -4.978 94 H PHE 14 HN PHE 14 4.049 -30.473 -3.071 95 HA PHE 14 HA PHE 14 2.511 -28.526 -1.474 96 HB2 PHE 14 HB2 PHE 14 2.915 -31.502 -1.098 97 HB3 PHE 14 HB1 PHE 14 1.969 -30.464 -0.028 98 HD1 PHE 14 HD1 PHE 14 -0.112 -29.388 -0.829 99 HD2 PHE 14 HD2 PHE 14 2.091 -32.148 -3.276 100 HE1 PHE 14 HE1 PHE 14 -2.073 -29.624 -2.328 101 HE2 PHE 14 HE2 PHE 14 0.129 -32.382 -4.776 102 HZ PHE 14 HZ PHE 14 -1.953 -31.121 -4.302 103 H GLY 15 HN GLY 15 5.632 -29.579 -1.928 104 HA2 GLY 15 HA2 GLY 15 6.661 -29.911 0.652 105 HA3 GLY 15 HA1 GLY 15 7.581 -29.345 -0.737 106 H GLY 16 HN GLY 16 6.122 -26.939 -1.229 107 HA2 GLY 16 HA2 GLY 16 6.725 -25.402 1.227 108 HA3 GLY 16 HA1 GLY 16 7.177 -24.835 -0.377 109 H PHE 17 HN PHE 17 5.795 -23.009 0.754 110 HA PHE 17 HA PHE 17 2.926 -23.421 0.445 111 HB2 PHE 17 HB2 PHE 17 2.731 -21.124 1.290 112 HB3 PHE 17 HB1 PHE 17 3.766 -22.088 2.343 113 HD1 PHE 17 HD1 PHE 17 6.199 -21.752 2.379 114 HD2 PHE 17 HD2 PHE 17 3.649 -19.352 -0.109 115 HE1 PHE 17 HE1 PHE 17 8.049 -20.134 2.044 116 HE2 PHE 17 HE2 PHE 17 5.499 -17.735 -0.445 117 HZ PHE 17 HZ PHE 17 7.699 -18.126 0.633 118 H GLU 18 HN GLU 18 2.019 -23.239 -1.482 119 HA GLU 18 HA GLU 18 2.637 -20.980 -3.192 120 HB2 GLU 18 HB2 GLU 18 3.177 -23.824 -4.061 121 HB3 GLU 18 HB1 GLU 18 2.986 -22.482 -5.192 122 HG2 GLU 18 HG2 GLU 18 4.868 -21.311 -4.193 123 HG3 GLU 18 HG1 GLU 18 5.006 -22.534 -2.933 124 H PHE 19 HN PHE 19 0.892 -20.392 -4.430 125 HA PHE 19 HA PHE 19 -1.460 -22.181 -4.283 126 HB2 PHE 19 HB2 PHE 19 -1.722 -20.076 -3.004 127 HB3 PHE 19 HB1 PHE 19 -1.403 -19.160 -4.478 128 HD1 PHE 19 HD1 PHE 19 -3.745 -21.528 -2.847 129 HD2 PHE 19 HD2 PHE 19 -3.086 -18.906 -6.187 130 HE1 PHE 19 HE1 PHE 19 -6.129 -21.747 -3.490 131 HE2 PHE 19 HE2 PHE 19 -5.469 -19.128 -6.826 132 HZ PHE 19 HZ PHE 19 -6.992 -20.546 -5.480 133 H TYR 20 HN TYR 20 -2.235 -22.900 -6.172 134 HA TYR 20 HA TYR 20 -1.499 -21.424 -8.633 135 HB2 TYR 20 HB2 TYR 20 -1.724 -24.425 -8.286 136 HB3 TYR 20 HB1 TYR 20 -1.373 -23.588 -9.796 137 HD1 TYR 20 HD1 TYR 20 0.717 -22.102 -9.901 138 HD2 TYR 20 HD2 TYR 20 -0.004 -24.945 -6.763 139 HE1 TYR 20 HE1 TYR 20 3.129 -22.076 -9.322 140 HE2 TYR 20 HE2 TYR 20 2.405 -24.920 -6.184 141 HH TYR 20 HH TYR 20 4.755 -23.822 -8.144 142 H VAL 21 HN VAL 21 -3.125 -21.034 -10.064 143 HA VAL 21 HA VAL 21 -5.820 -21.875 -9.260 144 HB VAL 21 HB VAL 21 -4.897 -19.822 -11.290 145 HG11 VAL 21 HG11 VAL 21 -7.163 -19.288 -11.647 146 HG12 VAL 21 HG12 VAL 21 -7.688 -20.140 -10.195 147 HG13 VAL 21 HG13 VAL 21 -7.166 -21.051 -11.614 148 HG21 VAL 21 HG21 VAL 21 -5.667 -18.187 -9.646 149 HG22 VAL 21 HG22 VAL 21 -4.475 -19.247 -8.892 150 HG23 VAL 21 HG23 VAL 21 -6.193 -19.481 -8.568 151 H GLU 22 HN GLU 22 -6.739 -23.559 -10.241 152 HA GLU 22 HA GLU 22 -5.544 -24.849 -12.491 153 HB2 GLU 22 HB2 GLU 22 -8.236 -25.208 -11.150 154 HB3 GLU 22 HB1 GLU 22 -7.628 -26.251 -12.436 155 HG2 GLU 22 HG2 GLU 22 -5.687 -26.852 -11.071 156 HG3 GLU 22 HG1 GLU 22 -6.216 -25.753 -9.800 157 H ALA 23 HN ALA 23 -6.123 -24.803 -14.644 158 HA ALA 23 HA ALA 23 -7.094 -22.499 -15.783 159 HB1 ALA 23 HB1 ALA 23 -6.820 -25.308 -16.703 160 HB2 ALA 23 HB2 ALA 23 -6.193 -23.820 -17.413 161 HB3 ALA 23 HB3 ALA 23 -7.880 -24.270 -17.657 162 H GLY 24 HN GLY 24 -9.011 -21.541 -15.874 163 HA2 GLY 24 HA2 GLY 24 -11.309 -21.252 -15.949 164 HA3 GLY 24 HA1 GLY 24 -11.479 -23.000 -16.096 165 H GLN 25 HN GLN 25 -9.509 -22.016 -13.496 166 HA GLN 25 HA GLN 25 -11.707 -22.589 -11.606 167 HB2 GLN 25 HB2 GLN 25 -9.591 -24.079 -11.757 168 HB3 GLN 25 HB1 GLN 25 -8.782 -22.748 -10.929 169 HG2 GLN 25 HG2 GLN 25 -11.190 -23.124 -9.532 170 HG3 GLN 25 HG1 GLN 25 -10.578 -24.748 -9.843 171 HE21 GLN 25 HE21 GLN 25 -10.552 -22.679 -7.402 172 HE22 GLN 25 HE22 GLN 25 -8.969 -22.859 -6.819 173 H GLN 26 HN GLN 26 -12.260 -21.127 -10.103 174 HA GLN 26 HA GLN 26 -11.424 -18.438 -10.315 175 HB2 GLN 26 HB2 GLN 26 -12.817 -18.017 -8.410 176 HB3 GLN 26 HB1 GLN 26 -13.619 -19.257 -9.374 177 HG2 GLN 26 HG2 GLN 26 -12.587 -21.000 -7.906 178 HG3 GLN 26 HG1 GLN 26 -11.936 -19.711 -6.895 179 HE21 GLN 26 HE21 GLN 26 -13.274 -19.037 -5.208 180 HE22 GLN 26 HE22 GLN 26 -14.945 -19.320 -5.128 181 H PHE 27 HN PHE 27 -10.438 -17.141 -8.598 182 HA PHE 27 HA PHE 27 -8.153 -18.567 -7.403 183 HB2 PHE 27 HB2 PHE 27 -7.522 -16.721 -8.841 184 HB3 PHE 27 HB1 PHE 27 -8.606 -15.629 -7.978 185 HD1 PHE 27 HD1 PHE 27 -7.929 -14.562 -5.965 186 HD2 PHE 27 HD2 PHE 27 -5.565 -17.750 -7.602 187 HE1 PHE 27 HE1 PHE 27 -6.127 -14.061 -4.336 188 HE2 PHE 27 HE2 PHE 27 -3.763 -17.252 -5.972 189 HZ PHE 27 HZ PHE 27 -4.044 -15.406 -4.340 190 H ASP 28 HN ASP 28 -8.223 -19.031 -5.338 191 HA ASP 28 HA ASP 28 -10.242 -17.975 -3.598 192 HB2 ASP 28 HB2 ASP 28 -7.875 -19.801 -3.190 193 HB3 ASP 28 HB1 ASP 28 -8.927 -19.304 -1.868 194 H ASP 29 HN ASP 29 -9.748 -15.707 -3.735 195 HA ASP 29 HA ASP 29 -7.265 -14.591 -2.986 196 HB2 ASP 29 HB2 ASP 29 -8.535 -12.496 -2.692 197 HB3 ASP 29 HB1 ASP 29 -8.947 -13.306 -4.201 198 H SER 30 HN SER 30 -10.080 -15.586 -1.108 199 HA SER 30 HA SER 30 -9.362 -14.348 1.331 200 HB2 SER 30 HB2 SER 30 -11.601 -15.264 0.943 201 HB3 SER 30 HB1 SER 30 -10.933 -16.890 0.843 202 HG SER 30 HG SER 30 -10.402 -16.799 2.975 203 H ALA 31 HN ALA 31 -8.734 -17.604 0.057 204 HA ALA 31 HA ALA 31 -7.288 -18.551 2.293 205 HB1 ALA 31 HB1 ALA 31 -8.173 -19.621 -0.105 206 HB2 ALA 31 HB2 ALA 31 -7.197 -20.459 1.103 207 HB3 ALA 31 HB3 ALA 31 -6.418 -19.659 -0.262 208 H TYR 32 HN TYR 32 -6.265 -16.948 -0.698 209 HA TYR 32 HA TYR 32 -3.484 -17.188 -0.316 210 HB2 TYR 32 HB2 TYR 32 -4.509 -16.489 -2.453 211 HB3 TYR 32 HB1 TYR 32 -4.993 -14.963 -1.709 212 HD1 TYR 32 HD1 TYR 32 -3.320 -13.287 -1.055 213 HD2 TYR 32 HD2 TYR 32 -2.178 -16.955 -2.974 214 HE1 TYR 32 HE1 TYR 32 -1.082 -12.338 -1.532 215 HE2 TYR 32 HE2 TYR 32 0.063 -16.007 -3.449 216 HH TYR 32 HH TYR 32 1.541 -14.230 -2.524 217 H GLU 33 HN GLU 33 -5.724 -14.556 0.544 218 HA GLU 33 HA GLU 33 -3.725 -12.942 1.781 219 HB2 GLU 33 HB2 GLU 33 -5.575 -11.629 2.657 220 HB3 GLU 33 HB1 GLU 33 -5.906 -12.052 0.977 221 HG2 GLU 33 HG2 GLU 33 -7.339 -13.903 1.706 222 HG3 GLU 33 HG1 GLU 33 -6.975 -13.537 3.394 223 H GLU 34 HN GLU 34 -5.948 -15.410 2.944 224 HA GLU 34 HA GLU 34 -5.565 -15.030 5.703 225 HB2 GLU 34 HB2 GLU 34 -7.334 -16.465 4.719 226 HB3 GLU 34 HB1 GLU 34 -6.099 -17.639 4.264 227 HG2 GLU 34 HG2 GLU 34 -6.309 -16.696 7.112 228 HG3 GLU 34 HG1 GLU 34 -7.381 -17.965 6.520 229 H ALA 35 HN ALA 35 -3.839 -17.186 3.426 230 HA ALA 35 HA ALA 35 -2.074 -18.277 5.350 231 HB1 ALA 35 HB1 ALA 35 -0.810 -19.104 3.485 232 HB2 ALA 35 HB2 ALA 35 -1.498 -17.888 2.408 233 HB3 ALA 35 HB3 ALA 35 -2.514 -19.184 3.036 234 H TYR 36 HN TYR 36 -1.683 -15.568 3.079 235 HA TYR 36 HA TYR 36 0.924 -14.903 4.148 236 HB2 TYR 36 HB2 TYR 36 -0.857 -13.529 2.126 237 HB3 TYR 36 HB1 TYR 36 0.750 -12.955 2.572 238 HD1 TYR 36 HD1 TYR 36 -1.103 -15.187 0.473 239 HD2 TYR 36 HD2 TYR 36 2.709 -14.639 2.370 240 HE1 TYR 36 HE1 TYR 36 -0.090 -16.811 -1.101 241 HE2 TYR 36 HE2 TYR 36 3.727 -16.262 0.794 242 HH TYR 36 HH TYR 36 2.208 -18.429 -0.844 243 H GLY 37 HN GLY 37 -2.304 -14.169 4.931 244 HA2 GLY 37 HA2 GLY 37 -3.148 -12.909 6.675 245 HA3 GLY 37 HA1 GLY 37 -1.498 -12.471 7.101 246 H VAL 38 HN VAL 38 -2.303 -11.905 3.822 247 HA VAL 38 HA VAL 38 -2.870 -9.061 4.421 248 HB VAL 38 HB VAL 38 -1.498 -8.465 2.439 249 HG11 VAL 38 HG11 VAL 38 -0.325 -9.914 4.798 250 HG12 VAL 38 HG12 VAL 38 -0.311 -8.189 4.435 251 HG13 VAL 38 HG13 VAL 38 0.738 -9.287 3.539 252 HG21 VAL 38 HG21 VAL 38 -1.057 -11.452 2.449 253 HG22 VAL 38 HG22 VAL 38 0.138 -10.360 1.748 254 HG23 VAL 38 HG23 VAL 38 -1.499 -10.411 1.096 255 H SER 39 HN SER 39 -4.483 -8.156 3.321 256 HA SER 39 HA SER 39 -6.349 -9.723 1.914 257 HB2 SER 39 HB2 SER 39 -6.022 -6.720 2.025 258 HB3 SER 39 HB1 SER 39 -7.429 -7.552 1.368 259 HG SER 39 HG SER 39 -6.887 -6.960 3.897 260 H VAL 40 HN VAL 40 -6.828 -9.965 -0.210 261 HA VAL 40 HA VAL 40 -4.769 -9.085 -2.136 262 HB VAL 40 HB VAL 40 -6.782 -11.343 -2.339 263 HG11 VAL 40 HG11 VAL 40 -5.772 -11.891 -4.404 264 HG12 VAL 40 HG12 VAL 40 -4.376 -10.859 -4.095 265 HG13 VAL 40 HG13 VAL 40 -5.941 -10.137 -4.470 266 HG21 VAL 40 HG21 VAL 40 -4.676 -11.392 -0.707 267 HG22 VAL 40 HG22 VAL 40 -3.819 -11.735 -2.210 268 HG23 VAL 40 HG23 VAL 40 -5.116 -12.803 -1.670 269 HA PRO 41 HA PRO 41 -7.967 -6.330 -3.603 270 HB2 PRO 41 HB2 PRO 41 -6.615 -5.482 -5.846 271 HB3 PRO 41 HB1 PRO 41 -6.317 -4.853 -4.214 272 HG2 PRO 41 HG2 PRO 41 -4.800 -6.901 -5.760 273 HG3 PRO 41 HG1 PRO 41 -4.202 -5.600 -4.715 274 HD2 PRO 41 HD2 PRO 41 -4.326 -8.183 -3.875 275 HD3 PRO 41 HD1 PRO 41 -4.561 -6.813 -2.764 276 H SER 42 HN SER 42 -9.666 -6.556 -4.996 277 HA SER 42 HA SER 42 -10.065 -8.970 -6.372 278 HB2 SER 42 HB2 SER 42 -12.101 -7.921 -7.233 279 HB3 SER 42 HB1 SER 42 -11.895 -7.559 -5.521 280 HG SER 42 HG SER 42 -11.346 -5.908 -7.760 281 H ALA 43 HN ALA 43 -8.906 -5.826 -7.510 282 HA ALA 43 HA ALA 43 -9.176 -6.285 -10.271 283 HB1 ALA 43 HB1 ALA 43 -8.177 -4.245 -8.668 284 HB2 ALA 43 HB2 ALA 43 -8.223 -4.253 -10.431 285 HB3 ALA 43 HB3 ALA 43 -6.772 -4.789 -9.583 286 H VAL 44 HN VAL 44 -6.532 -7.046 -8.027 287 HA VAL 44 HA VAL 44 -4.770 -8.095 -10.003 288 HB VAL 44 HB VAL 44 -4.942 -8.512 -7.012 289 HG11 VAL 44 HG11 VAL 44 -3.593 -10.294 -7.365 290 HG12 VAL 44 HG12 VAL 44 -2.363 -9.122 -7.839 291 HG13 VAL 44 HG13 VAL 44 -3.373 -9.887 -9.068 292 HG21 VAL 44 HG21 VAL 44 -4.354 -6.241 -7.672 293 HG22 VAL 44 HG22 VAL 44 -3.157 -6.847 -8.815 294 HG23 VAL 44 HG23 VAL 44 -2.904 -7.051 -7.082 295 H VAL 45 HN VAL 45 -7.151 -9.531 -7.830 296 HA VAL 45 HA VAL 45 -6.680 -12.242 -8.398 297 HB VAL 45 HB VAL 45 -9.166 -10.781 -7.496 298 HG11 VAL 45 HG11 VAL 45 -10.231 -12.690 -8.139 299 HG12 VAL 45 HG12 VAL 45 -9.483 -13.374 -6.697 300 HG13 VAL 45 HG13 VAL 45 -8.725 -13.598 -8.272 301 HG21 VAL 45 HG21 VAL 45 -7.317 -10.717 -5.910 302 HG22 VAL 45 HG22 VAL 45 -7.058 -12.451 -6.093 303 HG23 VAL 45 HG23 VAL 45 -8.528 -11.857 -5.322 304 H GLU 46 HN GLU 46 -8.825 -9.890 -10.007 305 HA GLU 46 HA GLU 46 -10.165 -11.730 -11.660 306 HB2 GLU 46 HB2 GLU 46 -9.495 -8.809 -12.059 307 HB3 GLU 46 HB1 GLU 46 -10.517 -9.729 -13.164 308 HG2 GLU 46 HG2 GLU 46 -11.023 -9.337 -10.201 309 HG3 GLU 46 HG1 GLU 46 -11.891 -8.534 -11.508 310 H GLU 47 HN GLU 47 -7.139 -9.918 -12.166 311 HA GLU 47 HA GLU 47 -6.679 -10.737 -14.812 312 HB2 GLU 47 HB2 GLU 47 -4.782 -9.942 -12.600 313 HB3 GLU 47 HB1 GLU 47 -4.259 -10.250 -14.256 314 HG2 GLU 47 HG2 GLU 47 -5.685 -8.487 -15.101 315 HG3 GLU 47 HG1 GLU 47 -6.410 -8.253 -13.511 316 H MET 48 HN MET 48 -5.804 -12.240 -11.720 317 HA MET 48 HA MET 48 -4.259 -14.343 -12.887 318 HB2 MET 48 HB2 MET 48 -5.677 -14.413 -10.216 319 HB3 MET 48 HB1 MET 48 -4.227 -15.300 -10.695 320 HG2 MET 48 HG2 MET 48 -3.123 -13.033 -11.073 321 HG3 MET 48 HG1 MET 48 -4.509 -12.325 -10.251 322 HE1 MET 48 HE1 MET 48 -1.218 -13.908 -10.113 323 HE2 MET 48 HE2 MET 48 -2.098 -15.418 -9.890 324 HE3 MET 48 HE3 MET 48 -1.086 -14.794 -8.589 325 H ASN 49 HN ASN 49 -7.625 -13.989 -11.879 326 HA ASN 49 HA ASN 49 -8.432 -16.672 -12.336 327 HB2 ASN 49 HB2 ASN 49 -9.953 -14.060 -12.307 328 HB3 ASN 49 HB1 ASN 49 -10.737 -15.623 -12.533 329 HD21 ASN 49 HD21 ASN 49 -11.233 -13.928 -10.236 330 HD22 ASN 49 HD22 ASN 49 -10.661 -14.748 -8.864 331 H ALA 50 HN ALA 50 -8.257 -13.801 -14.347 332 HA ALA 50 HA ALA 50 -9.597 -14.791 -16.625 333 HB1 ALA 50 HB1 ALA 50 -9.279 -12.554 -16.910 334 HB2 ALA 50 HB2 ALA 50 -7.796 -13.078 -17.708 335 HB3 ALA 50 HB3 ALA 50 -7.753 -12.554 -16.025 336 H LYS 51 HN LYS 51 -6.201 -14.927 -15.624 337 HA LYS 51 HA LYS 51 -5.158 -16.072 -17.977 338 HB2 LYS 51 HB2 LYS 51 -4.254 -16.263 -15.096 339 HB3 LYS 51 HB1 LYS 51 -3.321 -16.887 -16.457 340 HG2 LYS 51 HG2 LYS 51 -4.254 -14.012 -16.221 341 HG3 LYS 51 HG1 LYS 51 -2.648 -14.569 -15.753 342 HD2 LYS 51 HD2 LYS 51 -2.300 -15.419 -18.068 343 HD3 LYS 51 HD1 LYS 51 -3.870 -14.756 -18.521 344 HE2 LYS 51 HE2 LYS 51 -3.102 -12.499 -17.888 345 HE3 LYS 51 HE1 LYS 51 -1.530 -13.159 -17.438 346 HZ1 LYS 51 HZ1 LYS 51 -0.923 -13.418 -19.576 347 HZ2 LYS 51 HZ2 LYS 51 -2.069 -12.194 -19.848 348 HZ3 LYS 51 HZ3 LYS 51 -2.485 -13.821 -20.101 349 H ALA 52 HN ALA 52 -6.525 -17.556 -15.046 350 HA ALA 52 HA ALA 52 -5.969 -20.235 -15.705 351 HB1 ALA 52 HB1 ALA 52 -8.345 -20.289 -14.270 352 HB2 ALA 52 HB2 ALA 52 -7.573 -18.791 -13.748 353 HB3 ALA 52 HB3 ALA 52 -6.719 -20.325 -13.589 354 H ALA 53 HN ALA 53 -8.656 -18.102 -16.530 355 HA ALA 53 HA ALA 53 -10.365 -20.058 -17.652 356 HB1 ALA 53 HB1 ALA 53 -10.665 -17.568 -19.018 357 HB2 ALA 53 HB2 ALA 53 -10.348 -17.233 -17.316 358 HB3 ALA 53 HB3 ALA 53 -11.700 -18.268 -17.774 359 H GLN 54 HN GLN 54 -7.754 -18.097 -18.998 360 HA GLN 54 HA GLN 54 -8.192 -19.054 -21.698 361 HB2 GLN 54 HB2 GLN 54 -5.971 -17.411 -20.466 362 HB3 GLN 54 HB1 GLN 54 -6.088 -17.795 -22.182 363 HG2 GLN 54 HG2 GLN 54 -8.299 -16.700 -22.278 364 HG3 GLN 54 HG1 GLN 54 -8.178 -16.307 -20.565 365 HE21 GLN 54 HE21 GLN 54 -7.902 -14.044 -20.603 366 HE22 GLN 54 HE22 GLN 54 -6.670 -13.255 -21.464 367 H LEU 55 HN LEU 55 -6.374 -20.030 -18.928 368 HA LEU 55 HA LEU 55 -4.393 -21.548 -20.346 369 HB2 LEU 55 HB2 LEU 55 -5.269 -21.477 -17.461 370 HB3 LEU 55 HB1 LEU 55 -4.013 -22.567 -18.046 371 HG LEU 55 HG LEU 55 -3.936 -19.576 -18.500 372 HD11 LEU 55 HD11 LEU 55 -2.265 -19.546 -16.653 373 HD12 LEU 55 HD12 LEU 55 -2.635 -21.238 -16.319 374 HD13 LEU 55 HD13 LEU 55 -3.871 -20.002 -16.087 375 HD21 LEU 55 HD21 LEU 55 -1.383 -20.821 -18.407 376 HD22 LEU 55 HD22 LEU 55 -2.189 -20.121 -19.811 377 HD23 LEU 55 HD23 LEU 55 -2.408 -21.828 -19.427 378 H LYS 56 HN LYS 56 -4.338 -23.642 -20.861 379 HA LYS 56 HA LYS 56 -6.856 -25.141 -20.719 380 HB2 LYS 56 HB2 LYS 56 -4.315 -25.595 -22.305 381 HB3 LYS 56 HB1 LYS 56 -5.722 -26.658 -22.354 382 HG2 LYS 56 HG2 LYS 56 -7.123 -24.768 -23.115 383 HG3 LYS 56 HG1 LYS 56 -5.711 -23.712 -23.080 384 HD2 LYS 56 HD2 LYS 56 -4.598 -25.112 -24.764 385 HD3 LYS 56 HD1 LYS 56 -5.981 -26.208 -24.783 386 HE2 LYS 56 HE2 LYS 56 -6.135 -24.645 -26.665 387 HE3 LYS 56 HE1 LYS 56 -7.432 -24.325 -25.512 388 HZ1 LYS 56 HZ1 LYS 56 -6.680 -22.235 -25.614 389 HZ2 LYS 56 HZ2 LYS 56 -5.171 -22.687 -26.252 390 HZ3 LYS 56 HZ3 LYS 56 -5.452 -22.771 -24.578 391 H ASP 57 HN ASP 57 -6.509 -27.607 -20.426 392 HA ASP 57 HA ASP 57 -5.548 -28.070 -17.824 393 HB2 ASP 57 HB2 ASP 57 -5.931 -30.423 -18.280 394 HB3 ASP 57 HB1 ASP 57 -7.241 -29.477 -18.986 395 H GLY 58 HN GLY 58 -3.745 -29.346 -17.116 396 HA2 GLY 58 HA2 GLY 58 -1.608 -30.285 -17.286 397 HA3 GLY 58 HA1 GLY 58 -1.583 -29.863 -18.997 398 H GLU 59 HN GLU 59 -2.641 -27.204 -17.341 399 HA GLU 59 HA GLU 59 0.078 -26.154 -16.880 400 HB2 GLU 59 HB2 GLU 59 -2.131 -24.801 -18.436 401 HB3 GLU 59 HB1 GLU 59 -0.704 -23.958 -17.831 402 HG2 GLU 59 HG2 GLU 59 0.047 -24.544 -19.940 403 HG3 GLU 59 HG1 GLU 59 0.565 -25.959 -19.022 404 H TRP 60 HN TRP 60 0.221 -24.438 -15.350 405 HA TRP 60 HA TRP 60 -2.201 -23.907 -13.783 406 HB2 TRP 60 HB2 TRP 60 0.402 -24.733 -12.487 407 HB3 TRP 60 HB1 TRP 60 -1.126 -24.389 -11.684 408 HD1 TRP 60 HD1 TRP 60 0.828 -27.217 -12.669 409 HE1 TRP 60 HE1 TRP 60 -0.609 -29.328 -13.027 410 HE3 TRP 60 HE3 TRP 60 -3.806 -25.091 -12.935 411 HZ2 TRP 60 HZ2 TRP 60 -3.362 -30.020 -13.385 412 HZ3 TRP 60 HZ3 TRP 60 -5.815 -26.496 -13.288 413 HH2 TRP 60 HH2 TRP 60 -5.600 -28.956 -13.515 414 H LEU 61 HN LEU 61 -2.101 -21.998 -12.547 415 HA LEU 61 HA LEU 61 -0.114 -20.075 -13.565 416 HB2 LEU 61 HB2 LEU 61 -2.511 -19.506 -13.854 417 HB3 LEU 61 HB1 LEU 61 -2.726 -19.581 -12.104 418 HG LEU 61 HG LEU 61 -1.056 -17.787 -11.816 419 HD11 LEU 61 HD11 LEU 61 -0.925 -16.815 -14.503 420 HD12 LEU 61 HD12 LEU 61 -0.431 -18.509 -14.515 421 HD13 LEU 61 HD13 LEU 61 0.404 -17.353 -13.475 422 HD21 LEU 61 HD21 LEU 61 -2.407 -16.027 -13.288 423 HD22 LEU 61 HD22 LEU 61 -3.169 -16.818 -11.908 424 HD23 LEU 61 HD23 LEU 61 -3.479 -17.405 -13.543 425 H ASN 62 HN ASN 62 1.279 -19.002 -12.206 426 HA ASN 62 HA ASN 62 1.387 -20.003 -9.443 427 HB2 ASN 62 HB2 ASN 62 3.421 -20.313 -10.750 428 HB3 ASN 62 HB1 ASN 62 3.463 -18.592 -11.135 429 HD21 ASN 62 HD21 ASN 62 3.749 -20.905 -8.421 430 HD22 ASN 62 HD22 ASN 62 4.598 -19.845 -7.404 431 H VAL 63 HN VAL 63 0.925 -18.717 -7.772 432 HA VAL 63 HA VAL 63 0.669 -15.811 -8.283 433 HB VAL 63 HB VAL 63 -0.844 -17.529 -6.299 434 HG11 VAL 63 HG11 VAL 63 -0.914 -15.466 -5.286 435 HG12 VAL 63 HG12 VAL 63 -2.228 -15.231 -6.441 436 HG13 VAL 63 HG13 VAL 63 -0.620 -14.598 -6.793 437 HG21 VAL 63 HG21 VAL 63 -2.606 -16.313 -8.107 438 HG22 VAL 63 HG22 VAL 63 -2.157 -18.019 -8.068 439 HG23 VAL 63 HG23 VAL 63 -1.276 -16.898 -9.108 440 H SER 64 HN SER 64 2.033 -14.534 -7.130 441 HA SER 64 HA SER 64 2.874 -15.323 -4.461 442 HB2 SER 64 HB2 SER 64 4.518 -16.423 -5.982 443 HB3 SER 64 HB1 SER 64 4.916 -14.841 -6.645 444 HG SER 64 HG SER 64 6.261 -15.661 -4.852 445 H HIS 65 HN HIS 65 4.528 -13.551 -3.674 446 HA HIS 65 HA HIS 65 3.943 -10.925 -4.834 447 HB2 HIS 65 HB2 HIS 65 3.094 -9.993 -2.790 448 HB3 HIS 65 HB1 HIS 65 2.153 -11.444 -3.136 449 HD1 HIS 65 HD1 HIS 65 2.877 -13.652 -1.786 450 HD2 HIS 65 HD2 HIS 65 4.474 -10.073 -0.367 451 HE1 HIS 65 HE1 HIS 65 3.753 -14.131 0.544 452 H GLU 66 HN GLU 66 5.267 -9.182 -3.801 453 HA GLU 66 HA GLU 66 7.898 -10.254 -3.089 454 HB2 GLU 66 HB2 GLU 66 7.814 -8.651 -4.935 455 HB3 GLU 66 HB1 GLU 66 7.026 -7.468 -3.890 456 HG2 GLU 66 HG2 GLU 66 9.422 -6.988 -4.025 457 HG3 GLU 66 HG1 GLU 66 9.006 -7.504 -2.391 458 H ALA 67 HN ALA 67 8.662 -10.147 -1.068 459 HA ALA 67 HA ALA 67 7.658 -8.098 0.769 460 HB1 ALA 67 HB1 ALA 67 6.389 -9.507 1.957 461 HB2 ALA 67 HB2 ALA 67 7.799 -10.524 2.251 462 HB3 ALA 67 HB3 ALA 67 6.781 -10.815 0.841 Start of MODEL 12 1 H MET 1 HT1 MET 1 4.458 -0.467 -1.261 2 HA MET 1 HA MET 1 1.691 -1.061 -2.092 3 HB2 MET 1 HB2 MET 1 2.626 -0.559 -4.448 4 HG2 MET 1 HG2 MET 1 4.451 1.235 -2.827 5 HE1 MET 1 HE1 MET 1 2.470 2.654 -5.499 6 HE2 MET 1 HE2 MET 1 3.837 3.710 -5.149 7 HE3 MET 1 HE3 MET 1 3.093 2.784 -3.849 8 H THR 2 HN THR 2 1.708 -3.193 -1.977 9 HA THR 2 HA THR 2 4.080 -4.774 -2.256 10 HB THR 2 HB THR 2 2.531 -6.674 -2.070 11 HG1 THR 2 HG1 THR 2 0.627 -4.610 -2.352 12 HG21 THR 2 HG21 THR 2 2.899 -6.131 0.094 13 HG22 THR 2 HG22 THR 2 1.261 -5.478 0.051 14 HG23 THR 2 HG23 THR 2 2.644 -4.412 -0.205 15 H THR 3 HN THR 3 4.518 -6.312 -3.883 16 HA THR 3 HA THR 3 3.280 -5.696 -6.499 17 HB THR 3 HB THR 3 6.111 -6.576 -5.883 18 HG1 THR 3 HG1 THR 3 6.636 -4.538 -6.251 19 HG21 THR 3 HG21 THR 3 5.819 -7.500 -7.962 20 HG22 THR 3 HG22 THR 3 6.185 -5.848 -8.456 21 HG23 THR 3 HG23 THR 3 4.510 -6.396 -8.386 22 H PHE 4 HN PHE 4 2.278 -7.316 -7.494 23 HA PHE 4 HA PHE 4 2.537 -10.012 -6.372 24 HB2 PHE 4 HB2 PHE 4 0.496 -8.730 -8.199 25 HB3 PHE 4 HB1 PHE 4 0.477 -10.432 -7.748 26 HD1 PHE 4 HD1 PHE 4 -0.193 -11.144 -5.534 27 HD2 PHE 4 HD2 PHE 4 0.191 -6.968 -6.467 28 HE1 PHE 4 HE1 PHE 4 -1.330 -10.564 -3.409 29 HE2 PHE 4 HE2 PHE 4 -0.948 -6.390 -4.343 30 HZ PHE 4 HZ PHE 4 -1.708 -8.187 -2.814 31 H THR 5 HN THR 5 3.422 -11.665 -7.482 32 HA THR 5 HA THR 5 4.168 -11.190 -10.305 33 HB THR 5 HB THR 5 5.786 -12.624 -8.187 34 HG1 THR 5 HG1 THR 5 7.156 -10.712 -9.197 35 HG21 THR 5 HG21 THR 5 7.401 -13.043 -9.875 36 HG22 THR 5 HG22 THR 5 6.613 -11.946 -11.011 37 HG23 THR 5 HG23 THR 5 5.859 -13.489 -10.607 38 H SER 6 HN SER 6 3.690 -12.769 -11.731 39 HA SER 6 HA SER 6 3.029 -15.455 -10.737 40 HB2 SER 6 HB2 SER 6 0.941 -15.512 -11.996 41 HB3 SER 6 HB1 SER 6 0.901 -14.182 -10.842 42 HG SER 6 HG SER 6 2.014 -13.354 -13.130 43 H ILE 7 HN ILE 7 2.994 -17.082 -12.442 44 HA ILE 7 HA ILE 7 4.049 -16.329 -15.051 45 HB ILE 7 HB ILE 7 6.026 -16.641 -13.490 46 HG12 ILE 7 HG12 ILE 7 7.223 -18.136 -15.090 47 HG13 ILE 7 HG11 ILE 7 5.670 -18.565 -15.809 48 HG21 ILE 7 HG21 ILE 7 4.841 -18.547 -12.254 49 HG22 ILE 7 HG22 ILE 7 6.535 -18.815 -12.662 50 HG23 ILE 7 HG23 ILE 7 5.265 -19.563 -13.630 51 HD11 ILE 7 HD11 ILE 7 5.858 -15.703 -15.630 52 HD12 ILE 7 HD12 ILE 7 5.707 -16.705 -17.072 53 HD13 ILE 7 HD13 ILE 7 7.303 -16.324 -16.426 54 H VAL 8 HN VAL 8 3.969 -18.186 -16.566 55 HA VAL 8 HA VAL 8 1.790 -19.996 -15.795 56 HB VAL 8 HB VAL 8 2.993 -19.399 -18.507 57 HG11 VAL 8 HG11 VAL 8 1.336 -21.551 -17.574 58 HG12 VAL 8 HG12 VAL 8 1.884 -21.223 -19.219 59 HG13 VAL 8 HG13 VAL 8 0.377 -20.518 -18.634 60 HG21 VAL 8 HG21 VAL 8 0.761 -18.260 -16.891 61 HG22 VAL 8 HG22 VAL 8 0.456 -18.498 -18.611 62 HG23 VAL 8 HG23 VAL 8 1.795 -17.478 -18.087 63 H THR 9 HN THR 9 2.519 -21.738 -14.808 64 HA THR 9 HA THR 9 4.186 -23.625 -16.265 65 HB THR 9 HB THR 9 5.720 -22.153 -14.755 66 HG1 THR 9 HG1 THR 9 6.736 -24.168 -13.985 67 HG21 THR 9 HG21 THR 9 4.261 -22.083 -12.802 68 HG22 THR 9 HG22 THR 9 5.736 -22.956 -12.382 69 HG23 THR 9 HG23 THR 9 4.248 -23.848 -12.711 70 H THR 10 HN THR 10 3.932 -25.843 -15.292 71 HA THR 10 HA THR 10 1.715 -25.838 -13.336 72 HB THR 10 HB THR 10 0.565 -26.583 -15.178 73 HG1 THR 10 HG1 THR 10 0.121 -28.480 -14.449 74 HG21 THR 10 HG21 THR 10 3.273 -27.363 -16.094 75 HG22 THR 10 HG22 THR 10 1.956 -26.609 -16.991 76 HG23 THR 10 HG23 THR 10 1.943 -28.348 -16.701 77 H ASN 11 HN ASN 11 3.108 -26.173 -11.616 78 HA ASN 11 HA ASN 11 3.902 -28.946 -11.229 79 HB2 ASN 11 HB2 ASN 11 6.181 -28.107 -10.396 80 HB3 ASN 11 HB1 ASN 11 5.945 -28.201 -12.142 81 HD21 ASN 11 HD21 ASN 11 7.301 -26.206 -9.934 82 HD22 ASN 11 HD22 ASN 11 7.002 -24.703 -10.660 83 HA PRO 12 HA PRO 12 1.860 -26.395 -7.733 84 HB2 PRO 12 HB2 PRO 12 0.828 -29.210 -7.552 85 HB3 PRO 12 HB1 PRO 12 -0.012 -27.683 -7.216 86 HG2 PRO 12 HG2 PRO 12 -0.372 -29.028 -9.503 87 HG3 PRO 12 HG1 PRO 12 -0.418 -27.260 -9.426 88 HD2 PRO 12 HD2 PRO 12 1.625 -29.000 -10.658 89 HD3 PRO 12 HD1 PRO 12 1.314 -27.273 -10.917 90 H ASP 13 HN ASP 13 3.462 -26.146 -6.311 91 HA ASP 13 HA ASP 13 4.693 -28.538 -5.079 92 HB2 ASP 13 HB2 ASP 13 5.768 -25.747 -5.502 93 HB3 ASP 13 HB1 ASP 13 6.543 -26.924 -4.444 94 H PHE 14 HN PHE 14 4.501 -28.841 -2.928 95 HA PHE 14 HA PHE 14 3.018 -26.793 -1.411 96 HB2 PHE 14 HB2 PHE 14 3.426 -29.742 -0.861 97 HB3 PHE 14 HB1 PHE 14 2.512 -28.636 0.165 98 HD1 PHE 14 HD1 PHE 14 2.542 -30.518 -2.976 99 HD2 PHE 14 HD2 PHE 14 0.405 -27.614 -0.639 100 HE1 PHE 14 HE1 PHE 14 0.538 -30.844 -4.401 101 HE2 PHE 14 HE2 PHE 14 -1.597 -27.941 -2.065 102 HZ PHE 14 HZ PHE 14 -1.530 -29.556 -3.946 103 H GLY 15 HN GLY 15 6.119 -27.846 -1.912 104 HA2 GLY 15 HA2 GLY 15 7.238 -28.056 0.644 105 HA3 GLY 15 HA1 GLY 15 8.105 -27.546 -0.800 106 H GLY 16 HN GLY 16 6.606 -25.176 -1.352 107 HA2 GLY 16 HA2 GLY 16 7.218 -23.530 1.031 108 HA3 GLY 16 HA1 GLY 16 7.718 -23.043 -0.586 109 H PHE 17 HN PHE 17 6.291 -21.197 0.577 110 HA PHE 17 HA PHE 17 3.466 -21.470 0.423 111 HB2 PHE 17 HB2 PHE 17 3.640 -18.864 0.345 112 HB3 PHE 17 HB1 PHE 17 4.119 -19.722 1.806 113 HD1 PHE 17 HD1 PHE 17 5.585 -17.859 2.491 114 HD2 PHE 17 HD2 PHE 17 6.211 -19.960 -1.205 115 HE1 PHE 17 HE1 PHE 17 7.861 -16.894 2.326 116 HE2 PHE 17 HE2 PHE 17 8.484 -18.988 -1.370 117 HZ PHE 17 HZ PHE 17 9.311 -17.456 0.395 118 H GLU 18 HN GLU 18 2.582 -22.051 -1.463 119 HA GLU 18 HA GLU 18 2.790 -20.182 -3.683 120 HB2 GLU 18 HB2 GLU 18 3.614 -23.075 -3.916 121 HB3 GLU 18 HB1 GLU 18 3.175 -22.079 -5.307 122 HG2 GLU 18 HG2 GLU 18 4.956 -20.509 -4.813 123 HG3 GLU 18 HG1 GLU 18 5.327 -21.341 -3.303 124 H PHE 19 HN PHE 19 0.948 -20.031 -4.834 125 HA PHE 19 HA PHE 19 -1.158 -22.044 -4.333 126 HB2 PHE 19 HB2 PHE 19 -1.681 -20.036 -3.061 127 HB3 PHE 19 HB1 PHE 19 -1.451 -19.038 -4.498 128 HD1 PHE 19 HD1 PHE 19 -3.525 -21.779 -3.058 129 HD2 PHE 19 HD2 PHE 19 -3.183 -18.770 -6.104 130 HE1 PHE 19 HE1 PHE 19 -5.880 -22.184 -3.722 131 HE2 PHE 19 HE2 PHE 19 -5.539 -19.173 -6.766 132 HZ PHE 19 HZ PHE 19 -6.888 -20.879 -5.576 133 H TYR 20 HN TYR 20 -2.130 -22.831 -6.113 134 HA TYR 20 HA TYR 20 -1.678 -21.407 -8.668 135 HB2 TYR 20 HB2 TYR 20 -1.669 -24.394 -8.179 136 HB3 TYR 20 HB1 TYR 20 -1.562 -23.625 -9.760 137 HD1 TYR 20 HD1 TYR 20 0.429 -22.321 -10.403 138 HD2 TYR 20 HD2 TYR 20 0.199 -24.353 -6.626 139 HE1 TYR 20 HE1 TYR 20 2.878 -22.055 -10.110 140 HE2 TYR 20 HE2 TYR 20 2.647 -24.088 -6.334 141 HH TYR 20 HH TYR 20 4.693 -22.961 -8.907 142 H VAL 21 HN VAL 21 -3.381 -21.266 -10.068 143 HA VAL 21 HA VAL 21 -5.994 -22.099 -9.003 144 HB VAL 21 HB VAL 21 -5.271 -20.118 -11.176 145 HG11 VAL 21 HG11 VAL 21 -7.890 -19.683 -10.338 146 HG12 VAL 21 HG12 VAL 21 -7.770 -21.440 -10.441 147 HG13 VAL 21 HG13 VAL 21 -7.401 -20.448 -11.851 148 HG21 VAL 21 HG21 VAL 21 -4.816 -19.595 -8.673 149 HG22 VAL 21 HG22 VAL 21 -6.572 -19.540 -8.516 150 HG23 VAL 21 HG23 VAL 21 -5.750 -18.420 -9.604 151 H GLU 22 HN GLU 22 -6.962 -23.824 -9.837 152 HA GLU 22 HA GLU 22 -5.952 -25.239 -12.092 153 HB2 GLU 22 HB2 GLU 22 -7.143 -26.414 -10.319 154 HB3 GLU 22 HB1 GLU 22 -8.601 -25.474 -10.641 155 HG2 GLU 22 HG2 GLU 22 -8.748 -27.676 -11.725 156 HG3 GLU 22 HG1 GLU 22 -8.682 -26.395 -12.934 157 H ALA 23 HN ALA 23 -6.631 -25.267 -14.213 158 HA ALA 23 HA ALA 23 -7.639 -23.005 -15.402 159 HB1 ALA 23 HB1 ALA 23 -8.022 -25.858 -16.349 160 HB2 ALA 23 HB2 ALA 23 -6.620 -24.838 -16.680 161 HB3 ALA 23 HB3 ALA 23 -8.197 -24.414 -17.348 162 H GLY 24 HN GLY 24 -9.545 -22.039 -15.471 163 HA2 GLY 24 HA2 GLY 24 -11.839 -21.719 -15.455 164 HA3 GLY 24 HA1 GLY 24 -12.040 -23.469 -15.465 165 H GLN 25 HN GLN 25 -9.913 -22.439 -13.040 166 HA GLN 25 HA GLN 25 -12.020 -22.796 -11.007 167 HB2 GLN 25 HB2 GLN 25 -10.098 -24.402 -11.001 168 HB3 GLN 25 HB1 GLN 25 -9.022 -23.044 -10.673 169 HG2 GLN 25 HG2 GLN 25 -9.632 -24.157 -8.575 170 HG3 GLN 25 HG1 GLN 25 -10.313 -22.531 -8.620 171 HE21 GLN 25 HE21 GLN 25 -12.427 -22.531 -7.853 172 HE22 GLN 25 HE22 GLN 25 -13.553 -23.777 -8.094 173 H GLN 26 HN GLN 26 -12.511 -21.187 -9.632 174 HA GLN 26 HA GLN 26 -11.514 -18.562 -10.080 175 HB2 GLN 26 HB2 GLN 26 -13.198 -19.718 -7.849 176 HB3 GLN 26 HB1 GLN 26 -12.865 -17.997 -8.047 177 HG2 GLN 26 HG2 GLN 26 -13.879 -18.058 -10.297 178 HG3 GLN 26 HG1 GLN 26 -14.216 -19.777 -10.098 179 HE21 GLN 26 HE21 GLN 26 -16.496 -19.777 -9.934 180 HE22 GLN 26 HE22 GLN 26 -17.356 -18.897 -8.767 181 H PHE 27 HN PHE 27 -10.247 -17.255 -8.753 182 HA PHE 27 HA PHE 27 -8.132 -18.645 -7.346 183 HB2 PHE 27 HB2 PHE 27 -7.633 -16.678 -8.738 184 HB3 PHE 27 HB1 PHE 27 -8.644 -15.680 -7.694 185 HD1 PHE 27 HD1 PHE 27 -7.904 -15.005 -5.489 186 HD2 PHE 27 HD2 PHE 27 -5.504 -17.624 -7.900 187 HE1 PHE 27 HE1 PHE 27 -5.982 -14.649 -3.963 188 HE2 PHE 27 HE2 PHE 27 -3.585 -17.271 -6.374 189 HZ PHE 27 HZ PHE 27 -3.823 -15.786 -4.404 190 H ASP 28 HN ASP 28 -8.276 -19.257 -5.320 191 HA ASP 28 HA ASP 28 -10.292 -18.302 -3.539 192 HB2 ASP 28 HB2 ASP 28 -9.207 -19.728 -1.892 193 HB3 ASP 28 HB1 ASP 28 -9.340 -20.587 -3.423 194 H ASP 29 HN ASP 29 -9.844 -16.005 -3.679 195 HA ASP 29 HA ASP 29 -7.425 -14.812 -2.901 196 HB2 ASP 29 HB2 ASP 29 -8.777 -12.782 -2.513 197 HB3 ASP 29 HB1 ASP 29 -9.177 -13.558 -4.044 198 H SER 30 HN SER 30 -10.189 -15.926 -0.988 199 HA SER 30 HA SER 30 -9.411 -14.751 1.465 200 HB2 SER 30 HB2 SER 30 -11.654 -15.675 1.115 201 HB3 SER 30 HB1 SER 30 -10.976 -17.292 0.947 202 HG SER 30 HG SER 30 -10.731 -15.612 3.228 203 H ALA 31 HN ALA 31 -8.817 -17.995 0.106 204 HA ALA 31 HA ALA 31 -7.263 -18.946 2.269 205 HB1 ALA 31 HB1 ALA 31 -6.414 -20.593 0.514 206 HB2 ALA 31 HB2 ALA 31 -7.463 -19.757 -0.631 207 HB3 ALA 31 HB3 ALA 31 -8.157 -20.563 0.778 208 H TYR 32 HN TYR 32 -6.398 -17.325 -0.763 209 HA TYR 32 HA TYR 32 -3.607 -17.579 -0.558 210 HB2 TYR 32 HB2 TYR 32 -4.728 -16.836 -2.612 211 HB3 TYR 32 HB1 TYR 32 -5.209 -15.338 -1.811 212 HD1 TYR 32 HD1 TYR 32 -3.618 -13.565 -1.393 213 HD2 TYR 32 HD2 TYR 32 -2.342 -17.301 -3.082 214 HE1 TYR 32 HE1 TYR 32 -1.429 -12.554 -1.969 215 HE2 TYR 32 HE2 TYR 32 -0.150 -16.292 -3.657 216 HH TYR 32 HH TYR 32 1.221 -14.122 -2.543 217 H GLU 33 HN GLU 33 -5.757 -14.953 0.517 218 HA GLU 33 HA GLU 33 -3.657 -13.397 1.664 219 HB2 GLU 33 HB2 GLU 33 -5.423 -12.081 2.680 220 HB3 GLU 33 HB1 GLU 33 -5.889 -12.473 1.025 221 HG2 GLU 33 HG2 GLU 33 -7.238 -14.368 1.865 222 HG3 GLU 33 HG1 GLU 33 -6.800 -13.936 3.517 223 H GLU 34 HN GLU 34 -5.675 -16.005 2.780 224 HA GLU 34 HA GLU 34 -5.291 -15.740 5.553 225 HB2 GLU 34 HB2 GLU 34 -6.948 -17.266 4.573 226 HB3 GLU 34 HB1 GLU 34 -5.647 -18.279 3.944 227 HG2 GLU 34 HG2 GLU 34 -4.848 -18.701 6.228 228 HG3 GLU 34 HG1 GLU 34 -6.114 -17.660 6.874 229 H ALA 35 HN ALA 35 -3.423 -17.703 3.197 230 HA ALA 35 HA ALA 35 -1.515 -18.562 5.148 231 HB1 ALA 35 HB1 ALA 35 -1.742 -19.944 3.240 232 HB2 ALA 35 HB2 ALA 35 -0.170 -19.166 3.055 233 HB3 ALA 35 HB3 ALA 35 -1.556 -18.584 2.133 234 H TYR 36 HN TYR 36 -1.474 -16.086 2.619 235 HA TYR 36 HA TYR 36 1.163 -15.158 3.291 236 HB2 TYR 36 HB2 TYR 36 -1.018 -14.052 1.521 237 HB3 TYR 36 HB1 TYR 36 0.526 -13.231 1.760 238 HD1 TYR 36 HD1 TYR 36 -1.190 -15.944 0.073 239 HD2 TYR 36 HD2 TYR 36 2.674 -14.445 1.197 240 HE1 TYR 36 HE1 TYR 36 -0.129 -17.438 -1.597 241 HE2 TYR 36 HE2 TYR 36 3.738 -15.936 -0.474 242 HH TYR 36 HH TYR 36 2.140 -17.366 -2.941 243 H GLY 37 HN GLY 37 -2.043 -14.457 4.358 244 HA2 GLY 37 HA2 GLY 37 -2.723 -13.239 6.208 245 HA3 GLY 37 HA1 GLY 37 -1.047 -12.767 6.471 246 H VAL 38 HN VAL 38 -2.176 -12.237 3.284 247 HA VAL 38 HA VAL 38 -2.777 -9.413 3.922 248 HB VAL 38 HB VAL 38 -1.542 -8.757 1.876 249 HG11 VAL 38 HG11 VAL 38 0.549 -8.751 2.926 250 HG12 VAL 38 HG12 VAL 38 0.341 -10.381 3.569 251 HG13 VAL 38 HG13 VAL 38 -0.537 -9.030 4.286 252 HG21 VAL 38 HG21 VAL 38 -0.824 -10.302 0.398 253 HG22 VAL 38 HG22 VAL 38 -1.666 -11.523 1.352 254 HG23 VAL 38 HG23 VAL 38 0.036 -11.181 1.662 255 H SER 39 HN SER 39 -4.431 -8.519 2.871 256 HA SER 39 HA SER 39 -6.357 -10.123 1.585 257 HB2 SER 39 HB2 SER 39 -6.051 -7.115 1.631 258 HB3 SER 39 HB1 SER 39 -7.484 -7.969 1.066 259 HG SER 39 HG SER 39 -7.104 -7.232 3.460 260 H VAL 40 HN VAL 40 -7.023 -10.276 -0.536 261 HA VAL 40 HA VAL 40 -4.997 -9.523 -2.550 262 HB VAL 40 HB VAL 40 -7.168 -11.635 -2.660 263 HG11 VAL 40 HG11 VAL 40 -6.108 -10.334 -4.788 264 HG12 VAL 40 HG12 VAL 40 -6.576 -12.034 -4.836 265 HG13 VAL 40 HG13 VAL 40 -4.891 -11.591 -4.566 266 HG21 VAL 40 HG21 VAL 40 -5.650 -13.105 -1.846 267 HG22 VAL 40 HG22 VAL 40 -4.739 -11.691 -1.314 268 HG23 VAL 40 HG23 VAL 40 -4.363 -12.453 -2.861 269 HA PRO 41 HA PRO 41 -8.145 -6.559 -3.782 270 HB2 PRO 41 HB2 PRO 41 -6.679 -5.444 -5.811 271 HB3 PRO 41 HB1 PRO 41 -6.441 -5.042 -4.099 272 HG2 PRO 41 HG2 PRO 41 -4.894 -6.905 -5.838 273 HG3 PRO 41 HG1 PRO 41 -4.313 -5.742 -4.633 274 HD2 PRO 41 HD2 PRO 41 -4.499 -8.402 -4.096 275 HD3 PRO 41 HD1 PRO 41 -4.749 -7.162 -2.846 276 H SER 42 HN SER 42 -9.627 -6.397 -5.492 277 HA SER 42 HA SER 42 -10.141 -8.698 -6.983 278 HB2 SER 42 HB2 SER 42 -11.109 -5.864 -7.366 279 HB3 SER 42 HB1 SER 42 -11.762 -7.253 -8.231 280 HG SER 42 HG SER 42 -11.611 -7.014 -5.404 281 H ALA 43 HN ALA 43 -8.487 -5.700 -7.935 282 HA ALA 43 HA ALA 43 -8.328 -6.240 -10.692 283 HB1 ALA 43 HB1 ALA 43 -7.491 -4.167 -10.553 284 HB2 ALA 43 HB2 ALA 43 -5.975 -4.879 -10.001 285 HB3 ALA 43 HB3 ALA 43 -7.181 -4.351 -8.827 286 H VAL 44 HN VAL 44 -6.163 -7.132 -8.015 287 HA VAL 44 HA VAL 44 -4.197 -8.360 -9.692 288 HB VAL 44 HB VAL 44 -4.771 -8.577 -6.732 289 HG11 VAL 44 HG11 VAL 44 -2.115 -9.357 -7.719 290 HG12 VAL 44 HG12 VAL 44 -3.404 -10.447 -8.231 291 HG13 VAL 44 HG13 VAL 44 -3.139 -10.137 -6.515 292 HG21 VAL 44 HG21 VAL 44 -3.923 -6.398 -7.830 293 HG22 VAL 44 HG22 VAL 44 -2.429 -7.282 -8.136 294 HG23 VAL 44 HG23 VAL 44 -2.981 -7.035 -6.482 295 H VAL 45 HN VAL 45 -6.876 -9.608 -7.719 296 HA VAL 45 HA VAL 45 -6.389 -12.359 -8.323 297 HB VAL 45 HB VAL 45 -7.631 -11.482 -6.320 298 HG11 VAL 45 HG11 VAL 45 -10.034 -11.325 -8.119 299 HG12 VAL 45 HG12 VAL 45 -9.003 -9.913 -7.898 300 HG13 VAL 45 HG13 VAL 45 -9.808 -10.643 -6.510 301 HG21 VAL 45 HG21 VAL 45 -7.862 -13.850 -7.618 302 HG22 VAL 45 HG22 VAL 45 -9.537 -13.306 -7.680 303 HG23 VAL 45 HG23 VAL 45 -8.727 -13.484 -6.126 304 H GLU 46 HN GLU 46 -8.467 -9.870 -9.774 305 HA GLU 46 HA GLU 46 -10.023 -11.615 -11.344 306 HB2 GLU 46 HB2 GLU 46 -10.567 -9.664 -12.699 307 HB3 GLU 46 HB1 GLU 46 -10.576 -9.224 -10.991 308 HG2 GLU 46 HG2 GLU 46 -8.287 -8.334 -11.208 309 HG3 GLU 46 HG1 GLU 46 -8.282 -8.764 -12.918 310 H GLU 47 HN GLU 47 -6.948 -9.957 -12.043 311 HA GLU 47 HA GLU 47 -6.700 -10.798 -14.709 312 HB2 GLU 47 HB2 GLU 47 -4.620 -10.119 -12.623 313 HB3 GLU 47 HB1 GLU 47 -4.223 -10.452 -14.310 314 HG2 GLU 47 HG2 GLU 47 -5.602 -8.606 -15.062 315 HG3 GLU 47 HG1 GLU 47 -6.202 -8.335 -13.427 316 H MET 48 HN MET 48 -5.720 -12.356 -11.672 317 HA MET 48 HA MET 48 -4.342 -14.533 -12.849 318 HB2 MET 48 HB2 MET 48 -5.758 -14.251 -10.189 319 HB3 MET 48 HB1 MET 48 -4.788 -15.654 -10.638 320 HG2 MET 48 HG2 MET 48 -3.796 -12.788 -10.536 321 HG3 MET 48 HG1 MET 48 -3.447 -14.038 -9.340 322 HE1 MET 48 HE1 MET 48 -1.972 -12.141 -12.051 323 HE2 MET 48 HE2 MET 48 -3.238 -12.928 -12.992 324 HE3 MET 48 HE3 MET 48 -1.546 -13.259 -13.355 325 H ASN 49 HN ASN 49 -7.710 -14.009 -11.934 326 HA ASN 49 HA ASN 49 -8.635 -16.638 -12.481 327 HB2 ASN 49 HB2 ASN 49 -10.020 -13.962 -12.350 328 HB3 ASN 49 HB1 ASN 49 -10.886 -15.456 -12.701 329 HD21 ASN 49 HD21 ASN 49 -9.509 -13.537 -10.160 330 HD22 ASN 49 HD22 ASN 49 -9.801 -14.633 -8.898 331 H ALA 50 HN ALA 50 -8.328 -13.716 -14.433 332 HA ALA 50 HA ALA 50 -9.682 -14.640 -16.729 333 HB1 ALA 50 HB1 ALA 50 -9.149 -12.604 -17.517 334 HB2 ALA 50 HB2 ALA 50 -7.421 -12.928 -17.362 335 HB3 ALA 50 HB3 ALA 50 -8.331 -12.312 -15.983 336 H LYS 51 HN LYS 51 -6.279 -14.843 -15.745 337 HA LYS 51 HA LYS 51 -5.266 -16.012 -18.089 338 HB2 LYS 51 HB2 LYS 51 -4.395 -16.209 -15.200 339 HB3 LYS 51 HB1 LYS 51 -3.456 -16.855 -16.549 340 HG2 LYS 51 HG2 LYS 51 -3.345 -14.635 -17.572 341 HG3 LYS 51 HG1 LYS 51 -4.342 -13.970 -16.278 342 HD2 LYS 51 HD2 LYS 51 -2.609 -14.616 -14.630 343 HD3 LYS 51 HD1 LYS 51 -1.602 -15.221 -15.948 344 HE2 LYS 51 HE2 LYS 51 -2.609 -12.372 -15.732 345 HE3 LYS 51 HE1 LYS 51 -1.000 -12.900 -15.253 346 HZ1 LYS 51 HZ1 LYS 51 -0.381 -12.638 -17.349 347 HZ2 LYS 51 HZ2 LYS 51 -1.970 -12.285 -17.833 348 HZ3 LYS 51 HZ3 LYS 51 -1.428 -13.895 -17.798 349 H ALA 52 HN ALA 52 -6.735 -17.447 -15.195 350 HA ALA 52 HA ALA 52 -6.230 -20.146 -15.785 351 HB1 ALA 52 HB1 ALA 52 -8.811 -19.405 -14.496 352 HB2 ALA 52 HB2 ALA 52 -7.328 -18.899 -13.687 353 HB3 ALA 52 HB3 ALA 52 -7.615 -20.609 -14.014 354 H ALA 53 HN ALA 53 -8.711 -17.912 -16.876 355 HA ALA 53 HA ALA 53 -10.486 -19.760 -18.045 356 HB1 ALA 53 HB1 ALA 53 -9.954 -16.851 -18.273 357 HB2 ALA 53 HB2 ALA 53 -11.474 -17.705 -18.003 358 HB3 ALA 53 HB3 ALA 53 -10.798 -17.600 -19.629 359 H GLN 54 HN GLN 54 -7.553 -18.203 -19.262 360 HA GLN 54 HA GLN 54 -7.880 -19.439 -21.886 361 HB2 GLN 54 HB2 GLN 54 -5.776 -17.612 -20.720 362 HB3 GLN 54 HB1 GLN 54 -5.633 -18.335 -22.323 363 HG2 GLN 54 HG2 GLN 54 -6.639 -16.235 -22.730 364 HG3 GLN 54 HG1 GLN 54 -7.988 -17.369 -22.760 365 HE21 GLN 54 HE21 GLN 54 -9.731 -16.342 -21.762 366 HE22 GLN 54 HE22 GLN 54 -9.638 -15.482 -20.302 367 H LEU 55 HN LEU 55 -6.585 -20.270 -18.876 368 HA LEU 55 HA LEU 55 -4.409 -21.901 -19.846 369 HB2 LEU 55 HB2 LEU 55 -5.731 -21.607 -17.152 370 HB3 LEU 55 HB1 LEU 55 -4.442 -22.771 -17.454 371 HG LEU 55 HG LEU 55 -4.177 -19.821 -18.079 372 HD11 LEU 55 HD11 LEU 55 -4.232 -19.632 -15.791 373 HD12 LEU 55 HD12 LEU 55 -2.567 -20.194 -15.941 374 HD13 LEU 55 HD13 LEU 55 -3.851 -21.335 -15.541 375 HD21 LEU 55 HD21 LEU 55 -1.763 -20.400 -18.088 376 HD22 LEU 55 HD22 LEU 55 -2.659 -21.322 -19.294 377 HD23 LEU 55 HD23 LEU 55 -2.181 -22.085 -17.778 378 H LYS 56 HN LYS 56 -4.368 -24.016 -20.249 379 HA LYS 56 HA LYS 56 -6.949 -25.437 -20.272 380 HB2 LYS 56 HB2 LYS 56 -5.934 -26.914 -21.924 381 HB3 LYS 56 HB1 LYS 56 -5.731 -25.234 -22.426 382 HG2 LYS 56 HG2 LYS 56 -3.444 -25.236 -21.478 383 HG3 LYS 56 HG1 LYS 56 -3.645 -26.926 -21.019 384 HD2 LYS 56 HD2 LYS 56 -3.958 -27.554 -23.369 385 HD3 LYS 56 HD1 LYS 56 -3.823 -25.863 -23.853 386 HE2 LYS 56 HE2 LYS 56 -1.678 -26.997 -24.194 387 HE3 LYS 56 HE1 LYS 56 -1.527 -25.797 -22.909 388 HZ1 LYS 56 HZ1 LYS 56 -2.309 -28.491 -22.118 389 HZ2 LYS 56 HZ2 LYS 56 -1.303 -27.374 -21.328 390 HZ3 LYS 56 HZ3 LYS 56 -0.706 -28.285 -22.632 391 H ASP 57 HN ASP 57 -6.554 -27.943 -20.088 392 HA ASP 57 HA ASP 57 -5.884 -28.511 -17.436 393 HB2 ASP 57 HB2 ASP 57 -7.323 -29.932 -18.890 394 HB3 ASP 57 HB1 ASP 57 -5.879 -30.446 -19.759 395 H GLY 58 HN GLY 58 -4.086 -29.349 -16.436 396 HA2 GLY 58 HA2 GLY 58 -1.902 -30.151 -16.233 397 HA3 GLY 58 HA1 GLY 58 -1.712 -30.015 -17.977 398 H GLU 59 HN GLU 59 -3.034 -27.169 -16.809 399 HA GLU 59 HA GLU 59 -0.354 -25.932 -16.600 400 HB2 GLU 59 HB2 GLU 59 -2.878 -24.840 -17.845 401 HB3 GLU 59 HB1 GLU 59 -1.439 -23.872 -17.518 402 HG2 GLU 59 HG2 GLU 59 -0.093 -25.317 -18.946 403 HG3 GLU 59 HG1 GLU 59 -1.471 -26.383 -19.213 404 H TRP 60 HN TRP 60 0.003 -24.462 -14.987 405 HA TRP 60 HA TRP 60 -2.237 -23.856 -13.170 406 HB2 TRP 60 HB2 TRP 60 0.530 -24.808 -12.407 407 HB3 TRP 60 HB1 TRP 60 -0.619 -24.109 -11.272 408 HD1 TRP 60 HD1 TRP 60 0.105 -27.252 -13.250 409 HE1 TRP 60 HE1 TRP 60 -1.535 -29.105 -12.523 410 HE3 TRP 60 HE3 TRP 60 -3.070 -24.516 -10.349 411 HZ2 TRP 60 HZ2 TRP 60 -3.886 -29.385 -10.913 412 HZ3 TRP 60 HZ3 TRP 60 -5.000 -25.595 -9.225 413 HH2 TRP 60 HH2 TRP 60 -5.412 -28.025 -9.505 414 H LEU 61 HN LEU 61 -2.221 -21.825 -12.287 415 HA LEU 61 HA LEU 61 -0.230 -19.960 -13.388 416 HB2 LEU 61 HB2 LEU 61 -2.628 -19.457 -13.777 417 HB3 LEU 61 HB1 LEU 61 -2.888 -19.413 -12.032 418 HG LEU 61 HG LEU 61 -1.249 -17.578 -11.834 419 HD11 LEU 61 HD11 LEU 61 -0.567 -18.475 -14.467 420 HD12 LEU 61 HD12 LEU 61 0.238 -17.243 -13.492 421 HD13 LEU 61 HD13 LEU 61 -1.077 -16.788 -14.576 422 HD21 LEU 61 HD21 LEU 61 -3.488 -16.815 -12.064 423 HD22 LEU 61 HD22 LEU 61 -3.556 -17.272 -13.766 424 HD23 LEU 61 HD23 LEU 61 -2.588 -15.886 -13.263 425 H ASN 62 HN ASN 62 1.129 -18.775 -12.035 426 HA ASN 62 HA ASN 62 1.094 -19.598 -9.208 427 HB2 ASN 62 HB2 ASN 62 3.177 -20.041 -10.410 428 HB3 ASN 62 HB1 ASN 62 3.288 -18.344 -10.874 429 HD21 ASN 62 HD21 ASN 62 3.374 -20.532 -8.048 430 HD22 ASN 62 HD22 ASN 62 4.197 -19.446 -7.035 431 H VAL 63 HN VAL 63 0.377 -18.202 -7.734 432 HA VAL 63 HA VAL 63 0.420 -15.318 -8.395 433 HB VAL 63 HB VAL 63 -1.525 -16.843 -6.643 434 HG11 VAL 63 HG11 VAL 63 -0.752 -14.286 -6.244 435 HG12 VAL 63 HG12 VAL 63 -2.406 -14.835 -5.968 436 HG13 VAL 63 HG13 VAL 63 -1.985 -14.024 -7.476 437 HG21 VAL 63 HG21 VAL 63 -3.027 -15.676 -8.546 438 HG22 VAL 63 HG22 VAL 63 -2.331 -17.283 -8.758 439 HG23 VAL 63 HG23 VAL 63 -1.536 -15.877 -9.466 440 H SER 64 HN SER 64 1.680 -14.092 -7.135 441 HA SER 64 HA SER 64 2.040 -14.681 -4.321 442 HB2 SER 64 HB2 SER 64 4.454 -14.881 -4.415 443 HB3 SER 64 HB1 SER 64 3.750 -16.113 -5.457 444 HG SER 64 HG SER 64 3.985 -14.234 -7.085 445 H HIS 65 HN HIS 65 3.623 -12.954 -3.381 446 HA HIS 65 HA HIS 65 3.616 -10.484 -4.949 447 HB2 HIS 65 HB2 HIS 65 2.503 -9.192 -3.243 448 HB3 HIS 65 HB1 HIS 65 1.463 -10.553 -3.666 449 HD1 HIS 65 HD1 HIS 65 1.541 -12.643 -1.977 450 HD2 HIS 65 HD2 HIS 65 3.295 -9.133 -0.569 451 HE1 HIS 65 HE1 HIS 65 1.792 -12.921 0.529 452 H GLU 66 HN GLU 66 4.916 -8.764 -3.917 453 HA GLU 66 HA GLU 66 7.222 -9.942 -2.566 454 HB2 GLU 66 HB2 GLU 66 7.634 -8.548 -4.535 455 HB3 GLU 66 HB1 GLU 66 6.802 -7.197 -3.768 456 HG2 GLU 66 HG2 GLU 66 9.217 -6.938 -3.486 457 HG3 GLU 66 HG1 GLU 66 8.466 -7.248 -1.922 458 H ALA 67 HN ALA 67 7.660 -9.634 -0.466 459 HA ALA 67 HA ALA 67 6.347 -7.408 0.953 460 HB1 ALA 67 HB1 ALA 67 5.916 -10.273 1.357 461 HB2 ALA 67 HB2 ALA 67 4.980 -8.899 1.946 462 HB3 ALA 67 HB3 ALA 67 6.408 -9.435 2.830 Start of MODEL 13 1 H MET 1 HT1 MET 1 6.703 -1.549 -1.851 2 HA MET 1 HA MET 1 4.318 -0.903 -0.893 3 HB2 MET 1 HB2 MET 1 3.188 -1.136 -3.453 4 HG2 MET 1 HG2 MET 1 4.399 1.346 -3.975 5 HE1 MET 1 HE1 MET 1 2.352 -0.700 -6.408 6 HE2 MET 1 HE2 MET 1 2.944 0.951 -6.580 7 HE3 MET 1 HE3 MET 1 2.393 0.380 -5.008 8 H THR 2 HN THR 2 2.617 -2.502 -2.590 9 HA THR 2 HA THR 2 4.028 -5.094 -2.400 10 HB THR 2 HB THR 2 1.081 -4.493 -2.055 11 HG1 THR 2 HG1 THR 2 1.472 -4.791 0.061 12 HG21 THR 2 HG21 THR 2 2.581 -7.093 -1.656 13 HG22 THR 2 HG22 THR 2 1.643 -6.714 -3.100 14 HG23 THR 2 HG23 THR 2 0.840 -6.840 -1.535 15 H THR 3 HN THR 3 4.165 -6.312 -4.186 16 HA THR 3 HA THR 3 2.446 -5.610 -6.494 17 HB THR 3 HB THR 3 4.812 -4.767 -6.720 18 HG1 THR 3 HG1 THR 3 4.613 -6.770 -8.608 19 HG21 THR 3 HG21 THR 3 5.849 -7.434 -7.338 20 HG22 THR 3 HG22 THR 3 5.454 -7.229 -5.631 21 HG23 THR 3 HG23 THR 3 6.589 -6.127 -6.413 22 H PHE 4 HN PHE 4 1.822 -7.282 -7.830 23 HA PHE 4 HA PHE 4 2.241 -9.992 -6.729 24 HB2 PHE 4 HB2 PHE 4 -0.091 -8.848 -8.284 25 HB3 PHE 4 HB1 PHE 4 0.059 -10.528 -7.780 26 HD1 PHE 4 HD1 PHE 4 -0.086 -11.161 -5.414 27 HD2 PHE 4 HD2 PHE 4 -0.526 -7.077 -6.670 28 HE1 PHE 4 HE1 PHE 4 -1.016 -10.578 -3.189 29 HE2 PHE 4 HE2 PHE 4 -1.454 -6.493 -4.445 30 HZ PHE 4 HZ PHE 4 -1.700 -8.243 -2.706 31 H THR 5 HN THR 5 2.913 -11.601 -8.051 32 HA THR 5 HA THR 5 3.321 -10.924 -10.902 33 HB THR 5 HB THR 5 5.442 -12.149 -10.815 34 HG1 THR 5 HG1 THR 5 4.820 -13.506 -9.050 35 HG21 THR 5 HG21 THR 5 5.742 -10.317 -8.506 36 HG22 THR 5 HG22 THR 5 4.997 -9.625 -9.947 37 HG23 THR 5 HG23 THR 5 6.606 -10.342 -10.043 38 H SER 6 HN SER 6 3.352 -12.723 -12.352 39 HA SER 6 HA SER 6 2.511 -15.330 -11.381 40 HB2 SER 6 HB2 SER 6 0.376 -14.140 -11.467 41 HB3 SER 6 HB1 SER 6 0.690 -13.664 -13.133 42 HG SER 6 HG SER 6 -0.116 -15.516 -13.673 43 H ILE 7 HN ILE 7 2.682 -16.984 -12.952 44 HA ILE 7 HA ILE 7 3.579 -16.285 -15.636 45 HB ILE 7 HB ILE 7 5.379 -17.149 -13.510 46 HG12 ILE 7 HG12 ILE 7 6.900 -16.756 -15.722 47 HG13 ILE 7 HG11 ILE 7 5.438 -15.895 -16.202 48 HG21 ILE 7 HG21 ILE 7 6.528 -18.895 -14.797 49 HG22 ILE 7 HG22 ILE 7 5.316 -18.773 -16.072 50 HG23 ILE 7 HG23 ILE 7 4.862 -19.379 -14.479 51 HD11 ILE 7 HD11 ILE 7 5.783 -15.089 -13.579 52 HD12 ILE 7 HD12 ILE 7 6.259 -14.160 -15.002 53 HD13 ILE 7 HD13 ILE 7 7.439 -15.183 -14.180 54 H VAL 8 HN VAL 8 3.606 -18.258 -17.043 55 HA VAL 8 HA VAL 8 1.592 -20.160 -16.045 56 HB VAL 8 HB VAL 8 2.519 -19.589 -18.866 57 HG11 VAL 8 HG11 VAL 8 0.141 -20.909 -19.055 58 HG12 VAL 8 HG12 VAL 8 0.841 -21.699 -17.640 59 HG13 VAL 8 HG13 VAL 8 1.712 -21.702 -19.174 60 HG21 VAL 8 HG21 VAL 8 -0.158 -19.019 -17.568 61 HG22 VAL 8 HG22 VAL 8 0.439 -18.428 -19.120 62 HG23 VAL 8 HG23 VAL 8 1.143 -17.828 -17.619 63 H THR 9 HN THR 9 2.523 -21.796 -15.057 64 HA THR 9 HA THR 9 4.154 -23.639 -16.597 65 HB THR 9 HB THR 9 5.713 -21.985 -15.272 66 HG1 THR 9 HG1 THR 9 6.135 -24.185 -16.192 67 HG21 THR 9 HG21 THR 9 4.819 -23.885 -13.079 68 HG22 THR 9 HG22 THR 9 4.354 -22.185 -13.178 69 HG23 THR 9 HG23 THR 9 6.046 -22.623 -12.941 70 H THR 10 HN THR 10 4.053 -25.811 -15.628 71 HA THR 10 HA THR 10 2.292 -25.911 -13.267 72 HB THR 10 HB THR 10 0.669 -26.469 -14.794 73 HG1 THR 10 HG1 THR 10 0.399 -28.610 -14.616 74 HG21 THR 10 HG21 THR 10 2.998 -27.353 -16.465 75 HG22 THR 10 HG22 THR 10 1.712 -26.213 -16.860 76 HG23 THR 10 HG23 THR 10 1.384 -27.946 -16.852 77 H ASN 11 HN ASN 11 4.046 -26.434 -11.983 78 HA ASN 11 HA ASN 11 4.717 -29.248 -11.965 79 HB2 ASN 11 HB2 ASN 11 6.338 -27.879 -13.543 80 HB3 ASN 11 HB1 ASN 11 7.081 -27.429 -12.007 81 HD21 ASN 11 HD21 ASN 11 6.183 -30.231 -14.014 82 HD22 ASN 11 HD22 ASN 11 7.290 -31.305 -13.300 83 HA PRO 12 HA PRO 12 4.188 -26.961 -7.885 84 HB2 PRO 12 HB2 PRO 12 3.125 -29.394 -6.863 85 HB3 PRO 12 HB1 PRO 12 2.218 -27.937 -7.300 86 HG2 PRO 12 HG2 PRO 12 2.659 -30.423 -8.849 87 HG3 PRO 12 HG1 PRO 12 1.275 -29.315 -8.851 88 HD2 PRO 12 HD2 PRO 12 3.026 -29.344 -10.904 89 HD3 PRO 12 HD1 PRO 12 2.301 -27.823 -10.336 90 H ASP 13 HN ASP 13 6.194 -26.864 -7.101 91 HA ASP 13 HA ASP 13 7.444 -29.356 -6.124 92 HB2 ASP 13 HB2 ASP 13 9.637 -28.562 -6.822 93 HB3 ASP 13 HB1 ASP 13 8.561 -28.645 -8.215 94 H PHE 14 HN PHE 14 8.988 -29.030 -4.381 95 HA PHE 14 HA PHE 14 9.626 -28.156 -2.357 96 HB2 PHE 14 HB2 PHE 14 8.908 -25.532 -3.689 97 HB3 PHE 14 HB1 PHE 14 9.791 -25.694 -2.170 98 HD1 PHE 14 HD1 PHE 14 9.969 -25.968 -5.808 99 HD2 PHE 14 HD2 PHE 14 12.044 -26.748 -2.130 100 HE1 PHE 14 HE1 PHE 14 12.084 -26.263 -7.066 101 HE2 PHE 14 HE2 PHE 14 14.162 -27.043 -3.387 102 HZ PHE 14 HZ PHE 14 14.182 -26.802 -5.856 103 H GLY 15 HN GLY 15 8.045 -29.072 -1.090 104 HA2 GLY 15 HA2 GLY 15 5.360 -28.215 -0.928 105 HA3 GLY 15 HA1 GLY 15 6.206 -29.165 0.292 106 H GLY 16 HN GLY 16 6.013 -25.836 -0.954 107 HA2 GLY 16 HA2 GLY 16 6.280 -24.865 1.831 108 HA3 GLY 16 HA1 GLY 16 7.016 -24.036 0.462 109 H PHE 17 HN PHE 17 5.837 -22.130 0.997 110 HA PHE 17 HA PHE 17 2.930 -22.207 0.867 111 HB2 PHE 17 HB2 PHE 17 3.098 -19.767 1.271 112 HB3 PHE 17 HB1 PHE 17 3.973 -20.705 2.480 113 HD1 PHE 17 HD1 PHE 17 6.432 -20.801 2.471 114 HD2 PHE 17 HD2 PHE 17 4.273 -18.393 -0.356 115 HE1 PHE 17 HE1 PHE 17 8.520 -19.583 1.915 116 HE2 PHE 17 HE2 PHE 17 6.361 -17.176 -0.913 117 HZ PHE 17 HZ PHE 17 8.484 -17.772 0.222 118 H GLU 18 HN GLU 18 2.093 -22.479 -1.097 119 HA GLU 18 HA GLU 18 2.651 -20.501 -3.142 120 HB2 GLU 18 HB2 GLU 18 3.138 -23.438 -3.682 121 HB3 GLU 18 HB1 GLU 18 3.148 -22.153 -4.894 122 HG2 GLU 18 HG2 GLU 18 4.971 -22.237 -2.471 123 HG3 GLU 18 HG1 GLU 18 5.440 -22.767 -4.086 124 H PHE 19 HN PHE 19 0.925 -20.184 -4.498 125 HA PHE 19 HA PHE 19 -1.362 -22.032 -4.173 126 HB2 PHE 19 HB2 PHE 19 -1.756 -19.943 -2.935 127 HB3 PHE 19 HB1 PHE 19 -1.452 -19.018 -4.406 128 HD1 PHE 19 HD1 PHE 19 -3.138 -18.768 -6.088 129 HD2 PHE 19 HD2 PHE 19 -3.692 -21.551 -2.862 130 HE1 PHE 19 HE1 PHE 19 -5.500 -19.091 -6.769 131 HE2 PHE 19 HE2 PHE 19 -6.055 -21.870 -3.544 132 HZ PHE 19 HZ PHE 19 -6.960 -20.638 -5.496 133 H TYR 20 HN TYR 20 -2.236 -22.764 -6.007 134 HA TYR 20 HA TYR 20 -1.569 -21.370 -8.532 135 HB2 TYR 20 HB2 TYR 20 -1.698 -24.359 -8.056 136 HB3 TYR 20 HB1 TYR 20 -1.452 -23.587 -9.623 137 HD1 TYR 20 HD1 TYR 20 0.626 -22.347 -10.109 138 HD2 TYR 20 HD2 TYR 20 0.059 -24.410 -6.384 139 HE1 TYR 20 HE1 TYR 20 3.057 -22.182 -9.647 140 HE2 TYR 20 HE2 TYR 20 2.489 -24.242 -5.922 141 HH TYR 20 HH TYR 20 4.426 -23.348 -6.579 142 H VAL 21 HN VAL 21 -3.215 -21.149 -10.003 143 HA VAL 21 HA VAL 21 -5.886 -21.949 -9.056 144 HB VAL 21 HB VAL 21 -5.051 -19.905 -11.130 145 HG11 VAL 21 HG11 VAL 21 -7.244 -20.986 -11.605 146 HG12 VAL 21 HG12 VAL 21 -7.419 -19.286 -11.172 147 HG13 VAL 21 HG13 VAL 21 -7.789 -20.539 -9.988 148 HG21 VAL 21 HG21 VAL 21 -5.683 -18.258 -9.493 149 HG22 VAL 21 HG22 VAL 21 -4.603 -19.393 -8.678 150 HG23 VAL 21 HG23 VAL 21 -6.347 -19.494 -8.422 151 H GLU 22 HN GLU 22 -6.861 -23.612 -9.979 152 HA GLU 22 HA GLU 22 -5.799 -25.000 -12.224 153 HB2 GLU 22 HB2 GLU 22 -7.128 -26.144 -10.506 154 HB3 GLU 22 HB1 GLU 22 -8.539 -25.180 -10.942 155 HG2 GLU 22 HG2 GLU 22 -8.657 -27.374 -12.031 156 HG3 GLU 22 HG1 GLU 22 -8.446 -26.109 -13.240 157 H ALA 23 HN ALA 23 -6.392 -24.966 -14.372 158 HA ALA 23 HA ALA 23 -7.261 -22.639 -15.552 159 HB1 ALA 23 HB1 ALA 23 -7.218 -25.494 -16.425 160 HB2 ALA 23 HB2 ALA 23 -6.382 -24.099 -17.105 161 HB3 ALA 23 HB3 ALA 23 -8.101 -24.337 -17.420 162 H GLY 24 HN GLY 24 -9.130 -21.607 -15.696 163 HA2 GLY 24 HA2 GLY 24 -11.409 -21.202 -15.769 164 HA3 GLY 24 HA1 GLY 24 -11.670 -22.943 -15.854 165 H GLN 25 HN GLN 25 -9.658 -21.991 -13.272 166 HA GLN 25 HA GLN 25 -11.880 -22.425 -11.379 167 HB2 GLN 25 HB2 GLN 25 -9.946 -23.995 -11.280 168 HB3 GLN 25 HB1 GLN 25 -8.902 -22.629 -10.887 169 HG2 GLN 25 HG2 GLN 25 -9.593 -23.769 -8.832 170 HG3 GLN 25 HG1 GLN 25 -10.297 -22.154 -8.893 171 HE21 GLN 25 HE21 GLN 25 -12.422 -22.224 -8.167 172 HE22 GLN 25 HE22 GLN 25 -13.523 -23.472 -8.492 173 H GLN 26 HN GLN 26 -12.567 -20.795 -10.143 174 HA GLN 26 HA GLN 26 -11.529 -18.172 -10.420 175 HB2 GLN 26 HB2 GLN 26 -13.890 -18.652 -9.857 176 HB3 GLN 26 HB1 GLN 26 -13.374 -19.258 -8.282 177 HG2 GLN 26 HG2 GLN 26 -12.423 -17.071 -7.722 178 HG3 GLN 26 HG1 GLN 26 -12.863 -16.455 -9.314 179 HE21 GLN 26 HE21 GLN 26 -13.961 -15.003 -7.316 180 HE22 GLN 26 HE22 GLN 26 -15.598 -15.387 -7.081 181 H PHE 27 HN PHE 27 -10.067 -17.084 -9.307 182 HA PHE 27 HA PHE 27 -8.321 -18.432 -7.479 183 HB2 PHE 27 HB2 PHE 27 -7.463 -16.698 -8.956 184 HB3 PHE 27 HB1 PHE 27 -8.545 -15.510 -8.231 185 HD1 PHE 27 HD1 PHE 27 -8.018 -14.449 -6.153 186 HD2 PHE 27 HD2 PHE 27 -5.642 -17.734 -7.565 187 HE1 PHE 27 HE1 PHE 27 -6.331 -13.983 -4.397 188 HE2 PHE 27 HE2 PHE 27 -3.956 -17.272 -5.808 189 HZ PHE 27 HZ PHE 27 -4.301 -15.394 -4.223 190 H ASP 28 HN ASP 28 -8.694 -18.768 -5.382 191 HA ASP 28 HA ASP 28 -10.727 -17.212 -3.988 192 HB2 ASP 28 HB2 ASP 28 -10.642 -19.661 -3.698 193 HB3 ASP 28 HB1 ASP 28 -9.015 -19.521 -3.034 194 H ASP 29 HN ASP 29 -9.943 -15.211 -3.535 195 HA ASP 29 HA ASP 29 -7.262 -14.701 -2.714 196 HB2 ASP 29 HB2 ASP 29 -8.077 -12.430 -2.255 197 HB3 ASP 29 HB1 ASP 29 -8.633 -13.000 -3.826 198 H SER 30 HN SER 30 -10.125 -15.668 -1.005 199 HA SER 30 HA SER 30 -9.451 -14.594 1.538 200 HB2 SER 30 HB2 SER 30 -11.084 -16.197 2.419 201 HB3 SER 30 HB1 SER 30 -11.715 -15.391 0.985 202 HG SER 30 HG SER 30 -10.366 -17.888 0.940 203 H ALA 31 HN ALA 31 -8.804 -17.746 0.003 204 HA ALA 31 HA ALA 31 -7.475 -18.844 2.278 205 HB1 ALA 31 HB1 ALA 31 -7.273 -19.651 -0.631 206 HB2 ALA 31 HB2 ALA 31 -8.490 -20.235 0.503 207 HB3 ALA 31 HB3 ALA 31 -6.789 -20.623 0.758 208 H TYR 32 HN TYR 32 -6.388 -17.232 -0.678 209 HA TYR 32 HA TYR 32 -3.624 -17.618 -0.346 210 HB2 TYR 32 HB2 TYR 32 -4.659 -16.806 -2.439 211 HB3 TYR 32 HB1 TYR 32 -5.040 -15.278 -1.643 212 HD1 TYR 32 HD1 TYR 32 -3.260 -13.708 -1.000 213 HD2 TYR 32 HD2 TYR 32 -2.371 -17.385 -3.031 214 HE1 TYR 32 HE1 TYR 32 -0.988 -12.866 -1.528 215 HE2 TYR 32 HE2 TYR 32 -0.097 -16.548 -3.555 216 HH TYR 32 HH TYR 32 0.777 -13.441 -3.468 217 H GLU 33 HN GLU 33 -5.708 -14.911 0.643 218 HA GLU 33 HA GLU 33 -3.624 -13.408 1.866 219 HB2 GLU 33 HB2 GLU 33 -5.381 -12.054 2.814 220 HB3 GLU 33 HB1 GLU 33 -5.851 -12.480 1.168 221 HG2 GLU 33 HG2 GLU 33 -7.199 -14.366 2.079 222 HG3 GLU 33 HG1 GLU 33 -6.789 -13.837 3.709 223 H GLU 34 HN GLU 34 -5.758 -15.948 2.965 224 HA GLU 34 HA GLU 34 -5.395 -15.677 5.738 225 HB2 GLU 34 HB2 GLU 34 -7.091 -17.157 4.744 226 HB3 GLU 34 HB1 GLU 34 -5.816 -18.223 4.154 227 HG2 GLU 34 HG2 GLU 34 -5.072 -18.640 6.458 228 HG3 GLU 34 HG1 GLU 34 -6.311 -17.544 7.067 229 H ALA 35 HN ALA 35 -3.568 -17.705 3.413 230 HA ALA 35 HA ALA 35 -1.730 -18.689 5.350 231 HB1 ALA 35 HB1 ALA 35 -2.086 -19.807 3.193 232 HB2 ALA 35 HB2 ALA 35 -0.387 -19.385 3.408 233 HB3 ALA 35 HB3 ALA 35 -1.410 -18.413 2.351 234 H TYR 36 HN TYR 36 -1.530 -16.057 2.987 235 HA TYR 36 HA TYR 36 1.085 -15.224 3.840 236 HB2 TYR 36 HB2 TYR 36 -0.982 -13.966 2.035 237 HB3 TYR 36 HB1 TYR 36 0.573 -13.208 2.387 238 HD1 TYR 36 HD1 TYR 36 2.707 -14.530 1.906 239 HD2 TYR 36 HD2 TYR 36 -1.150 -15.689 0.413 240 HE1 TYR 36 HE1 TYR 36 3.797 -15.951 0.191 241 HE2 TYR 36 HE2 TYR 36 -0.061 -17.113 -1.300 242 HH TYR 36 HH TYR 36 1.959 -18.152 -1.810 243 H GLY 37 HN GLY 37 -2.146 -14.548 4.819 244 HA2 GLY 37 HA2 GLY 37 -2.913 -13.380 6.665 245 HA3 GLY 37 HA1 GLY 37 -1.242 -12.977 7.051 246 H VAL 38 HN VAL 38 -2.255 -12.288 3.843 247 HA VAL 38 HA VAL 38 -2.791 -9.472 4.550 248 HB VAL 38 HB VAL 38 -1.385 -8.754 2.638 249 HG11 VAL 38 HG11 VAL 38 0.840 -9.618 3.757 250 HG12 VAL 38 HG12 VAL 38 -0.258 -10.283 4.965 251 HG13 VAL 38 HG13 VAL 38 -0.234 -8.547 4.656 252 HG21 VAL 38 HG21 VAL 38 -1.157 -11.703 2.361 253 HG22 VAL 38 HG22 VAL 38 0.333 -10.792 2.119 254 HG23 VAL 38 HG23 VAL 38 -1.082 -10.449 1.125 255 H SER 39 HN SER 39 -4.283 -8.451 3.346 256 HA SER 39 HA SER 39 -6.170 -9.936 1.869 257 HB2 SER 39 HB2 SER 39 -6.791 -7.876 3.003 258 HB3 SER 39 HB1 SER 39 -5.693 -6.949 1.985 259 HG SER 39 HG SER 39 -7.209 -8.352 0.366 260 H VAL 40 HN VAL 40 -6.560 -10.143 -0.302 261 HA VAL 40 HA VAL 40 -4.329 -9.397 -2.086 262 HB VAL 40 HB VAL 40 -6.483 -11.492 -2.452 263 HG11 VAL 40 HG11 VAL 40 -3.954 -11.031 -4.049 264 HG12 VAL 40 HG12 VAL 40 -5.530 -10.408 -4.535 265 HG13 VAL 40 HG13 VAL 40 -5.268 -12.148 -4.420 266 HG21 VAL 40 HG21 VAL 40 -3.714 -12.383 -2.306 267 HG22 VAL 40 HG22 VAL 40 -5.118 -12.953 -1.402 268 HG23 VAL 40 HG23 VAL 40 -4.208 -11.553 -0.830 269 HA PRO 41 HA PRO 41 -7.148 -6.243 -3.596 270 HB2 PRO 41 HB2 PRO 41 -5.080 -6.173 -5.751 271 HB3 PRO 41 HB1 PRO 41 -5.747 -4.844 -4.785 272 HG2 PRO 41 HG2 PRO 41 -3.320 -5.754 -4.299 273 HG3 PRO 41 HG1 PRO 41 -4.403 -5.322 -2.962 274 HD2 PRO 41 HD2 PRO 41 -3.687 -8.054 -3.996 275 HD3 PRO 41 HD1 PRO 41 -3.910 -7.508 -2.316 276 H SER 42 HN SER 42 -8.816 -6.304 -5.022 277 HA SER 42 HA SER 42 -9.449 -8.630 -6.442 278 HB2 SER 42 HB2 SER 42 -10.536 -5.822 -6.685 279 HB3 SER 42 HB1 SER 42 -11.249 -7.228 -7.471 280 HG SER 42 HG SER 42 -10.836 -7.885 -4.962 281 H ALA 43 HN ALA 43 -7.950 -5.609 -7.535 282 HA ALA 43 HA ALA 43 -8.154 -6.021 -10.294 283 HB1 ALA 43 HB1 ALA 43 -7.245 -3.975 -10.144 284 HB2 ALA 43 HB2 ALA 43 -5.688 -4.766 -9.892 285 HB3 ALA 43 HB3 ALA 43 -6.669 -4.287 -8.507 286 H VAL 44 HN VAL 44 -5.715 -7.172 -7.982 287 HA VAL 44 HA VAL 44 -4.088 -8.370 -10.034 288 HB VAL 44 HB VAL 44 -2.867 -9.390 -8.142 289 HG11 VAL 44 HG11 VAL 44 -1.862 -7.370 -8.300 290 HG12 VAL 44 HG12 VAL 44 -2.819 -6.914 -6.889 291 HG13 VAL 44 HG13 VAL 44 -3.401 -6.535 -8.511 292 HG21 VAL 44 HG21 VAL 44 -5.083 -9.585 -6.781 293 HG22 VAL 44 HG22 VAL 44 -4.745 -7.924 -6.294 294 HG23 VAL 44 HG23 VAL 44 -3.598 -9.206 -5.909 295 H VAL 45 HN VAL 45 -6.628 -9.469 -7.837 296 HA VAL 45 HA VAL 45 -6.346 -12.247 -8.266 297 HB VAL 45 HB VAL 45 -8.710 -10.552 -7.447 298 HG11 VAL 45 HG11 VAL 45 -8.428 -13.492 -7.936 299 HG12 VAL 45 HG12 VAL 45 -9.820 -12.442 -8.196 300 HG13 VAL 45 HG13 VAL 45 -9.402 -12.961 -6.564 301 HG21 VAL 45 HG21 VAL 45 -7.462 -10.508 -5.550 302 HG22 VAL 45 HG22 VAL 45 -6.403 -11.800 -6.116 303 HG23 VAL 45 HG23 VAL 45 -7.948 -12.192 -5.361 304 H GLU 46 HN GLU 46 -8.351 -9.801 -9.928 305 HA GLU 46 HA GLU 46 -9.768 -11.608 -11.555 306 HB2 GLU 46 HB2 GLU 46 -10.279 -9.683 -12.964 307 HB3 GLU 46 HB1 GLU 46 -10.406 -9.237 -11.262 308 HG2 GLU 46 HG2 GLU 46 -8.125 -8.296 -11.344 309 HG3 GLU 46 HG1 GLU 46 -8.016 -8.713 -13.053 310 H GLU 47 HN GLU 47 -6.669 -9.929 -12.096 311 HA GLU 47 HA GLU 47 -6.291 -10.760 -14.751 312 HB2 GLU 47 HB2 GLU 47 -4.312 -10.106 -12.560 313 HB3 GLU 47 HB1 GLU 47 -3.835 -10.436 -14.226 314 HG2 GLU 47 HG2 GLU 47 -5.159 -8.574 -15.037 315 HG3 GLU 47 HG1 GLU 47 -5.835 -8.303 -13.431 316 H MET 48 HN MET 48 -5.445 -12.314 -11.675 317 HA MET 48 HA MET 48 -4.072 -14.525 -12.811 318 HB2 MET 48 HB2 MET 48 -5.513 -14.192 -10.168 319 HB3 MET 48 HB1 MET 48 -4.551 -15.609 -10.592 320 HG2 MET 48 HG2 MET 48 -3.535 -12.754 -10.504 321 HG3 MET 48 HG1 MET 48 -3.207 -13.997 -9.298 322 HE1 MET 48 HE1 MET 48 -2.568 -12.216 -12.134 323 HE2 MET 48 HE2 MET 48 -2.401 -13.362 -13.461 324 HE3 MET 48 HE3 MET 48 -0.961 -12.720 -12.674 325 H ASN 49 HN ASN 49 -7.433 -13.916 -11.945 326 HA ASN 49 HA ASN 49 -8.433 -16.523 -12.446 327 HB2 ASN 49 HB2 ASN 49 -9.743 -13.801 -12.447 328 HB3 ASN 49 HB1 ASN 49 -10.641 -15.296 -12.703 329 HD21 ASN 49 HD21 ASN 49 -11.081 -13.589 -10.410 330 HD22 ASN 49 HD22 ASN 49 -10.604 -14.450 -9.028 331 H ALA 50 HN ALA 50 -7.995 -13.669 -14.457 332 HA ALA 50 HA ALA 50 -9.347 -14.587 -16.762 333 HB1 ALA 50 HB1 ALA 50 -7.818 -12.320 -16.032 334 HB2 ALA 50 HB2 ALA 50 -8.784 -12.544 -17.490 335 HB3 ALA 50 HB3 ALA 50 -7.077 -12.984 -17.488 336 H LYS 51 HN LYS 51 -5.988 -14.915 -15.698 337 HA LYS 51 HA LYS 51 -4.992 -16.173 -18.013 338 HB2 LYS 51 HB2 LYS 51 -4.101 -16.277 -15.128 339 HB3 LYS 51 HB1 LYS 51 -3.207 -17.036 -16.445 340 HG2 LYS 51 HG2 LYS 51 -3.033 -14.857 -17.590 341 HG3 LYS 51 HG1 LYS 51 -3.923 -14.093 -16.273 342 HD2 LYS 51 HD2 LYS 51 -2.157 -14.757 -14.687 343 HD3 LYS 51 HD1 LYS 51 -1.265 -15.528 -15.998 344 HE2 LYS 51 HE2 LYS 51 -1.079 -13.359 -17.155 345 HE3 LYS 51 HE1 LYS 51 -1.976 -12.584 -15.851 346 HZ1 LYS 51 HZ1 LYS 51 -0.246 -12.804 -14.397 347 HZ2 LYS 51 HZ2 LYS 51 0.615 -12.603 -15.849 348 HZ3 LYS 51 HZ3 LYS 51 0.410 -14.154 -15.187 349 H ALA 52 HN ALA 52 -6.505 -17.485 -15.070 350 HA ALA 52 HA ALA 52 -6.059 -20.207 -15.627 351 HB1 ALA 52 HB1 ALA 52 -6.774 -19.654 -13.435 352 HB2 ALA 52 HB2 ALA 52 -8.134 -20.512 -14.159 353 HB3 ALA 52 HB3 ALA 52 -8.168 -18.752 -14.033 354 H ALA 53 HN ALA 53 -8.599 -17.965 -16.612 355 HA ALA 53 HA ALA 53 -10.341 -19.864 -17.787 356 HB1 ALA 53 HB1 ALA 53 -9.932 -16.911 -18.288 357 HB2 ALA 53 HB2 ALA 53 -11.175 -17.669 -17.293 358 HB3 ALA 53 HB3 ALA 53 -11.210 -17.860 -19.045 359 H GLN 54 HN GLN 54 -7.594 -18.023 -19.028 360 HA GLN 54 HA GLN 54 -7.961 -18.988 -21.734 361 HB2 GLN 54 HB2 GLN 54 -6.019 -17.717 -22.295 362 HB3 GLN 54 HB1 GLN 54 -6.938 -16.747 -21.143 363 HG2 GLN 54 HG2 GLN 54 -5.485 -17.380 -19.337 364 HG3 GLN 54 HG1 GLN 54 -4.661 -18.573 -20.339 365 HE21 GLN 54 HE21 GLN 54 -3.487 -16.162 -18.974 366 HE22 GLN 54 HE22 GLN 54 -2.787 -15.240 -20.215 367 H LEU 55 HN LEU 55 -6.348 -20.040 -18.876 368 HA LEU 55 HA LEU 55 -4.405 -21.708 -20.194 369 HB2 LEU 55 HB2 LEU 55 -5.363 -21.503 -17.342 370 HB3 LEU 55 HB1 LEU 55 -4.156 -22.680 -17.859 371 HG LEU 55 HG LEU 55 -3.884 -19.714 -18.393 372 HD11 LEU 55 HD11 LEU 55 -2.036 -20.228 -16.483 373 HD12 LEU 55 HD12 LEU 55 -3.310 -21.333 -15.966 374 HD13 LEU 55 HD13 LEU 55 -3.644 -19.608 -16.113 375 HD21 LEU 55 HD21 LEU 55 -1.445 -21.212 -18.136 376 HD22 LEU 55 HD22 LEU 55 -2.059 -20.352 -19.548 377 HD23 LEU 55 HD23 LEU 55 -2.505 -22.038 -19.276 378 H LYS 56 HN LYS 56 -4.480 -23.824 -20.652 379 HA LYS 56 HA LYS 56 -7.102 -25.118 -20.626 380 HB2 LYS 56 HB2 LYS 56 -4.472 -25.913 -21.897 381 HB3 LYS 56 HB1 LYS 56 -5.977 -26.822 -22.051 382 HG2 LYS 56 HG2 LYS 56 -7.067 -24.848 -23.058 383 HG3 LYS 56 HG1 LYS 56 -5.561 -23.943 -22.912 384 HD2 LYS 56 HD2 LYS 56 -4.434 -25.607 -24.365 385 HD3 LYS 56 HD1 LYS 56 -5.961 -26.470 -24.541 386 HE2 LYS 56 HE2 LYS 56 -5.501 -23.582 -25.342 387 HE3 LYS 56 HE1 LYS 56 -5.530 -24.947 -26.459 388 HZ1 LYS 56 HZ1 LYS 56 -7.798 -24.606 -24.642 389 HZ2 LYS 56 HZ2 LYS 56 -7.760 -25.217 -26.226 390 HZ3 LYS 56 HZ3 LYS 56 -7.673 -23.542 -25.957 391 H ASP 57 HN ASP 57 -7.100 -27.529 -20.108 392 HA ASP 57 HA ASP 57 -6.307 -27.905 -17.417 393 HB2 ASP 57 HB2 ASP 57 -8.221 -29.071 -18.489 394 HB3 ASP 57 HB1 ASP 57 -7.080 -30.003 -19.458 395 H GLY 58 HN GLY 58 -4.484 -28.704 -16.534 396 HA2 GLY 58 HA2 GLY 58 -2.631 -30.284 -16.580 397 HA3 GLY 58 HA1 GLY 58 -2.517 -30.012 -18.318 398 H GLU 59 HN GLU 59 -3.191 -27.164 -16.685 399 HA GLU 59 HA GLU 59 -0.341 -26.441 -16.442 400 HB2 GLU 59 HB2 GLU 59 -2.511 -24.885 -17.851 401 HB3 GLU 59 HB1 GLU 59 -0.974 -24.172 -17.357 402 HG2 GLU 59 HG2 GLU 59 -0.460 -24.841 -19.521 403 HG3 GLU 59 HG1 GLU 59 0.045 -26.260 -18.606 404 H TRP 60 HN TRP 60 0.117 -24.780 -14.920 405 HA TRP 60 HA TRP 60 -2.103 -24.106 -13.099 406 HB2 TRP 60 HB2 TRP 60 0.645 -25.117 -12.336 407 HB3 TRP 60 HB1 TRP 60 -0.483 -24.377 -11.200 408 HD1 TRP 60 HD1 TRP 60 0.196 -27.560 -13.097 409 HE1 TRP 60 HE1 TRP 60 -1.506 -29.362 -12.388 410 HE3 TRP 60 HE3 TRP 60 -3.014 -24.699 -10.354 411 HZ2 TRP 60 HZ2 TRP 60 -3.915 -29.560 -10.854 412 HZ3 TRP 60 HZ3 TRP 60 -5.002 -25.716 -9.278 413 HH2 TRP 60 HH2 TRP 60 -5.455 -28.141 -9.526 414 H LEU 61 HN LEU 61 -2.055 -22.074 -12.243 415 HA LEU 61 HA LEU 61 -0.040 -20.248 -13.365 416 HB2 LEU 61 HB2 LEU 61 -2.431 -19.720 -13.754 417 HB3 LEU 61 HB1 LEU 61 -2.681 -19.637 -12.008 418 HG LEU 61 HG LEU 61 -1.005 -17.832 -11.854 419 HD11 LEU 61 HD11 LEU 61 0.490 -17.589 -13.519 420 HD12 LEU 61 HD12 LEU 61 -0.811 -17.082 -14.596 421 HD13 LEU 61 HD13 LEU 61 -0.371 -18.788 -14.485 422 HD21 LEU 61 HD21 LEU 61 -3.478 -17.657 -13.476 423 HD22 LEU 61 HD22 LEU 61 -2.371 -16.296 -13.655 424 HD23 LEU 61 HD23 LEU 61 -2.994 -16.721 -12.062 425 H ASN 62 HN ASN 62 1.274 -18.982 -12.036 426 HA ASN 62 HA ASN 62 1.283 -19.769 -9.198 427 HB2 ASN 62 HB2 ASN 62 3.361 -20.212 -10.415 428 HB3 ASN 62 HB1 ASN 62 3.451 -18.519 -10.900 429 HD21 ASN 62 HD21 ASN 62 3.571 -20.667 -8.042 430 HD22 ASN 62 HD22 ASN 62 4.398 -19.561 -7.054 431 H VAL 63 HN VAL 63 0.508 -18.353 -7.774 432 HA VAL 63 HA VAL 63 0.543 -15.480 -8.487 433 HB VAL 63 HB VAL 63 -1.408 -16.980 -6.720 434 HG11 VAL 63 HG11 VAL 63 -2.608 -14.806 -6.676 435 HG12 VAL 63 HG12 VAL 63 -1.276 -14.068 -7.565 436 HG13 VAL 63 HG13 VAL 63 -1.012 -14.689 -5.935 437 HG21 VAL 63 HG21 VAL 63 -2.930 -16.880 -8.480 438 HG22 VAL 63 HG22 VAL 63 -1.426 -17.128 -9.365 439 HG23 VAL 63 HG23 VAL 63 -2.118 -15.511 -9.239 440 H SER 64 HN SER 64 1.756 -14.199 -7.208 441 HA SER 64 HA SER 64 2.095 -14.793 -4.390 442 HB2 SER 64 HB2 SER 64 4.517 -14.893 -4.464 443 HB3 SER 64 HB1 SER 64 3.868 -16.146 -5.518 444 HG SER 64 HG SER 64 5.151 -13.736 -6.146 445 H HIS 65 HN HIS 65 3.558 -13.029 -3.392 446 HA HIS 65 HA HIS 65 3.544 -10.528 -4.915 447 HB2 HIS 65 HB2 HIS 65 2.298 -9.308 -3.247 448 HB3 HIS 65 HB1 HIS 65 1.330 -10.695 -3.740 449 HD1 HIS 65 HD1 HIS 65 1.381 -12.802 -2.080 450 HD2 HIS 65 HD2 HIS 65 2.969 -9.272 -0.536 451 HE1 HIS 65 HE1 HIS 65 1.522 -13.119 0.428 452 H GLU 66 HN GLU 66 4.744 -8.797 -3.782 453 HA GLU 66 HA GLU 66 6.923 -9.955 -2.182 454 HB2 GLU 66 HB2 GLU 66 7.604 -8.822 -4.233 455 HB3 GLU 66 HB1 GLU 66 6.737 -7.366 -3.742 456 HG2 GLU 66 HG2 GLU 66 9.115 -7.120 -3.233 457 HG3 GLU 66 HG1 GLU 66 8.190 -7.202 -1.737 458 H ALA 67 HN ALA 67 7.149 -9.443 -0.091 459 HA ALA 67 HA ALA 67 6.082 -6.930 0.941 460 HB1 ALA 67 HB1 ALA 67 4.256 -7.811 1.889 461 HB2 ALA 67 HB2 ALA 67 5.274 -8.931 2.798 462 HB3 ALA 67 HB3 ALA 67 4.655 -9.390 1.212 Start of MODEL 14 1 H MET 1 HT1 MET 1 3.191 -0.269 -0.416 2 HA MET 1 HA MET 1 4.999 -1.048 -1.444 3 HB2 MET 1 HB2 MET 1 5.756 -2.015 1.323 4 HG2 MET 1 HG2 MET 1 5.735 0.806 0.204 5 HE1 MET 1 HE1 MET 1 5.476 -1.022 3.279 6 HE2 MET 1 HE2 MET 1 6.401 -0.093 4.457 7 HE3 MET 1 HE3 MET 1 7.158 -1.448 3.623 8 H THR 2 HN THR 2 2.781 -3.036 -1.174 9 HA THR 2 HA THR 2 4.375 -5.518 -1.370 10 HB THR 2 HB THR 2 1.449 -5.180 -0.668 11 HG1 THR 2 HG1 THR 2 3.801 -5.692 0.792 12 HG21 THR 2 HG21 THR 2 2.758 -7.756 -0.178 13 HG22 THR 2 HG22 THR 2 2.676 -7.337 -1.889 14 HG23 THR 2 HG23 THR 2 1.200 -7.413 -0.928 15 H THR 3 HN THR 3 4.405 -6.546 -3.276 16 HA THR 3 HA THR 3 2.408 -5.764 -5.319 17 HB THR 3 HB THR 3 4.716 -4.785 -5.678 18 HG1 THR 3 HG1 THR 3 3.758 -4.885 -7.557 19 HG21 THR 3 HG21 THR 3 5.864 -7.181 -6.779 20 HG22 THR 3 HG22 THR 3 5.463 -7.449 -5.081 21 HG23 THR 3 HG23 THR 3 6.520 -6.114 -5.538 22 H PHE 4 HN PHE 4 1.714 -7.363 -6.729 23 HA PHE 4 HA PHE 4 2.363 -10.115 -5.881 24 HB2 PHE 4 HB2 PHE 4 -0.123 -9.003 -7.200 25 HB3 PHE 4 HB1 PHE 4 0.138 -10.694 -6.786 26 HD1 PHE 4 HD1 PHE 4 -0.651 -7.363 -5.513 27 HD2 PHE 4 HD2 PHE 4 0.327 -11.397 -4.409 28 HE1 PHE 4 HE1 PHE 4 -1.437 -6.921 -3.204 29 HE2 PHE 4 HE2 PHE 4 -0.460 -10.954 -2.098 30 HZ PHE 4 HZ PHE 4 -1.343 -8.717 -1.497 31 H THR 5 HN THR 5 3.098 -11.555 -7.325 32 HA THR 5 HA THR 5 3.163 -10.763 -10.169 33 HB THR 5 HB THR 5 5.426 -11.688 -10.326 34 HG1 THR 5 HG1 THR 5 5.054 -13.117 -8.470 35 HG21 THR 5 HG21 THR 5 4.802 -9.260 -9.447 36 HG22 THR 5 HG22 THR 5 6.478 -9.802 -9.504 37 HG23 THR 5 HG23 THR 5 5.589 -9.845 -7.982 38 H SER 6 HN SER 6 3.423 -12.576 -11.654 39 HA SER 6 HA SER 6 2.907 -15.250 -10.627 40 HB2 SER 6 HB2 SER 6 0.825 -15.563 -11.839 41 HB3 SER 6 HB1 SER 6 0.654 -14.199 -10.737 42 HG SER 6 HG SER 6 -0.063 -13.927 -13.011 43 H ILE 7 HN ILE 7 2.896 -16.890 -12.338 44 HA ILE 7 HA ILE 7 3.973 -16.095 -14.930 45 HB ILE 7 HB ILE 7 5.883 -16.379 -13.235 46 HG12 ILE 7 HG12 ILE 7 5.973 -18.342 -15.531 47 HG13 ILE 7 HG11 ILE 7 5.988 -16.597 -15.799 48 HG21 ILE 7 HG21 ILE 7 5.793 -19.288 -13.614 49 HG22 ILE 7 HG22 ILE 7 4.488 -18.675 -12.597 50 HG23 ILE 7 HG23 ILE 7 6.167 -18.355 -12.165 51 HD11 ILE 7 HD11 ILE 7 8.227 -16.716 -15.503 52 HD12 ILE 7 HD12 ILE 7 8.127 -18.342 -14.826 53 HD13 ILE 7 HD13 ILE 7 7.865 -16.938 -13.790 54 H VAL 8 HN VAL 8 3.916 -17.930 -16.466 55 HA VAL 8 HA VAL 8 1.821 -19.829 -15.677 56 HB VAL 8 HB VAL 8 2.956 -19.170 -18.402 57 HG11 VAL 8 HG11 VAL 8 0.436 -20.371 -18.628 58 HG12 VAL 8 HG12 VAL 8 1.281 -21.337 -17.417 59 HG13 VAL 8 HG13 VAL 8 1.988 -21.114 -19.017 60 HG21 VAL 8 HG21 VAL 8 1.530 -17.426 -18.364 61 HG22 VAL 8 HG22 VAL 8 1.058 -17.841 -16.717 62 HG23 VAL 8 HG23 VAL 8 0.190 -18.538 -18.085 63 H THR 9 HN THR 9 2.664 -21.521 -14.692 64 HA THR 9 HA THR 9 4.348 -23.349 -16.195 65 HB THR 9 HB THR 9 5.915 -21.834 -14.822 66 HG1 THR 9 HG1 THR 9 7.187 -23.539 -14.552 67 HG21 THR 9 HG21 THR 9 4.440 -21.694 -12.838 68 HG22 THR 9 HG22 THR 9 6.023 -22.351 -12.417 69 HG23 THR 9 HG23 THR 9 4.635 -23.430 -12.581 70 H THR 10 HN THR 10 4.162 -25.567 -15.260 71 HA THR 10 HA THR 10 2.099 -25.636 -13.140 72 HB THR 10 HB THR 10 0.808 -26.279 -14.938 73 HG1 THR 10 HG1 THR 10 1.563 -28.826 -14.894 74 HG21 THR 10 HG21 THR 10 2.162 -28.110 -16.514 75 HG22 THR 10 HG22 THR 10 3.418 -26.951 -16.085 76 HG23 THR 10 HG23 THR 10 1.949 -26.400 -16.889 77 H ASN 11 HN ASN 11 3.660 -26.068 -11.556 78 HA ASN 11 HA ASN 11 4.496 -28.879 -11.488 79 HB2 ASN 11 HB2 ASN 11 6.363 -26.541 -11.025 80 HB3 ASN 11 HB1 ASN 11 6.751 -28.227 -10.682 81 HD21 ASN 11 HD21 ASN 11 6.034 -29.677 -12.806 82 HD22 ASN 11 HD22 ASN 11 6.678 -29.076 -14.258 83 HA PRO 12 HA PRO 12 3.017 -26.892 -7.443 84 HB2 PRO 12 HB2 PRO 12 0.465 -27.855 -7.382 85 HB3 PRO 12 HB1 PRO 12 0.890 -26.303 -8.130 86 HG2 PRO 12 HG2 PRO 12 0.388 -28.946 -9.412 87 HG3 PRO 12 HG1 PRO 12 -0.108 -27.325 -9.933 88 HD2 PRO 12 HD2 PRO 12 2.041 -28.641 -11.018 89 HD3 PRO 12 HD1 PRO 12 1.931 -26.870 -10.925 90 H ASP 13 HN ASP 13 4.077 -28.199 -6.010 91 HA ASP 13 HA ASP 13 3.414 -31.069 -5.974 92 HB2 ASP 13 HB2 ASP 13 5.813 -29.527 -4.983 93 HB3 ASP 13 HB1 ASP 13 5.528 -31.219 -4.584 94 H PHE 14 HN PHE 14 3.400 -32.085 -3.798 95 HA PHE 14 HA PHE 14 1.890 -30.385 -1.934 96 HB2 PHE 14 HB2 PHE 14 2.178 -33.394 -2.099 97 HB3 PHE 14 HB1 PHE 14 1.202 -32.537 -0.907 98 HD1 PHE 14 HD1 PHE 14 -0.804 -31.263 -1.596 99 HD2 PHE 14 HD2 PHE 14 1.479 -33.571 -4.410 100 HE1 PHE 14 HE1 PHE 14 -2.674 -31.135 -3.219 101 HE2 PHE 14 HE2 PHE 14 -0.393 -33.443 -6.034 102 HZ PHE 14 HZ PHE 14 -2.470 -32.225 -5.437 103 H GLY 15 HN GLY 15 4.994 -30.935 -2.372 104 HA2 GLY 15 HA2 GLY 15 5.666 -31.597 0.417 105 HA3 GLY 15 HA1 GLY 15 6.788 -31.592 -0.940 106 H GLY 16 HN GLY 16 4.773 -28.934 -1.130 107 HA2 GLY 16 HA2 GLY 16 6.365 -27.193 0.597 108 HA3 GLY 16 HA1 GLY 16 6.494 -26.905 -1.136 109 H PHE 17 HN PHE 17 5.597 -24.762 -0.060 110 HA PHE 17 HA PHE 17 2.647 -24.901 -0.066 111 HB2 PHE 17 HB2 PHE 17 2.729 -22.764 1.179 112 HB3 PHE 17 HB1 PHE 17 3.570 -24.059 2.034 113 HD1 PHE 17 HD1 PHE 17 6.021 -24.115 2.158 114 HD2 PHE 17 HD2 PHE 17 3.957 -20.917 0.167 115 HE1 PHE 17 HE1 PHE 17 8.103 -22.768 2.164 116 HE2 PHE 17 HE2 PHE 17 6.040 -19.570 0.170 117 HZ PHE 17 HZ PHE 17 8.113 -20.496 1.168 118 H GLU 18 HN GLU 18 1.792 -24.296 -1.931 119 HA GLU 18 HA GLU 18 2.563 -21.791 -3.157 120 HB2 GLU 18 HB2 GLU 18 2.863 -24.401 -4.664 121 HB3 GLU 18 HB1 GLU 18 2.910 -22.798 -5.404 122 HG2 GLU 18 HG2 GLU 18 5.173 -23.148 -5.056 123 HG3 GLU 18 HG1 GLU 18 4.744 -22.360 -3.538 124 H PHE 19 HN PHE 19 0.836 -20.892 -4.317 125 HA PHE 19 HA PHE 19 -1.608 -22.550 -4.324 126 HB2 PHE 19 HB2 PHE 19 -1.683 -20.489 -2.915 127 HB3 PHE 19 HB1 PHE 19 -1.423 -19.530 -4.376 128 HD1 PHE 19 HD1 PHE 19 -3.179 -19.255 -6.037 129 HD2 PHE 19 HD2 PHE 19 -3.743 -21.825 -2.640 130 HE1 PHE 19 HE1 PHE 19 -5.597 -19.414 -6.554 131 HE2 PHE 19 HE2 PHE 19 -6.162 -21.977 -3.158 132 HZ PHE 19 HZ PHE 19 -7.089 -20.772 -5.116 133 H TYR 20 HN TYR 20 -2.456 -23.097 -6.205 134 HA TYR 20 HA TYR 20 -1.806 -21.481 -8.590 135 HB2 TYR 20 HB2 TYR 20 -1.827 -24.504 -8.418 136 HB3 TYR 20 HB1 TYR 20 -1.647 -23.572 -9.903 137 HD1 TYR 20 HD1 TYR 20 0.372 -22.212 -10.308 138 HD2 TYR 20 HD2 TYR 20 -0.025 -24.663 -6.803 139 HE1 TYR 20 HE1 TYR 20 2.807 -22.006 -9.889 140 HE2 TYR 20 HE2 TYR 20 2.410 -24.457 -6.384 141 HH TYR 20 HH TYR 20 4.247 -22.513 -7.129 142 H VAL 21 HN VAL 21 -3.462 -21.228 -10.063 143 HA VAL 21 HA VAL 21 -6.115 -21.968 -9.088 144 HB VAL 21 HB VAL 21 -5.239 -20.215 -11.398 145 HG11 VAL 21 HG11 VAL 21 -8.010 -20.488 -10.215 146 HG12 VAL 21 HG12 VAL 21 -7.490 -21.413 -11.622 147 HG13 VAL 21 HG13 VAL 21 -7.542 -19.652 -11.696 148 HG21 VAL 21 HG21 VAL 21 -6.380 -19.602 -8.653 149 HG22 VAL 21 HG22 VAL 21 -6.112 -18.404 -9.920 150 HG23 VAL 21 HG23 VAL 21 -4.740 -19.250 -9.201 151 H GLU 22 HN GLU 22 -7.052 -23.780 -9.742 152 HA GLU 22 HA GLU 22 -6.036 -25.437 -11.799 153 HB2 GLU 22 HB2 GLU 22 -7.472 -26.161 -9.838 154 HB3 GLU 22 HB1 GLU 22 -8.853 -25.481 -10.699 155 HG2 GLU 22 HG2 GLU 22 -7.024 -27.440 -12.067 156 HG3 GLU 22 HG1 GLU 22 -8.314 -28.012 -11.012 157 H ALA 23 HN ALA 23 -6.570 -25.609 -13.952 158 HA ALA 23 HA ALA 23 -7.519 -23.423 -15.351 159 HB1 ALA 23 HB1 ALA 23 -7.366 -24.735 -17.230 160 HB2 ALA 23 HB2 ALA 23 -8.169 -26.107 -16.467 161 HB3 ALA 23 HB3 ALA 23 -6.473 -25.771 -16.116 162 H GLY 24 HN GLY 24 -9.452 -22.495 -15.500 163 HA2 GLY 24 HA2 GLY 24 -11.759 -22.301 -15.710 164 HA3 GLY 24 HA1 GLY 24 -11.887 -24.051 -15.585 165 H GLN 25 HN GLN 25 -10.015 -22.623 -13.088 166 HA GLN 25 HA GLN 25 -12.336 -22.816 -11.259 167 HB2 GLN 25 HB2 GLN 25 -9.535 -23.772 -11.007 168 HB3 GLN 25 HB1 GLN 25 -10.290 -23.115 -9.559 169 HG2 GLN 25 HG2 GLN 25 -12.230 -24.763 -10.799 170 HG3 GLN 25 HG1 GLN 25 -10.720 -25.674 -10.804 171 HE21 GLN 25 HE21 GLN 25 -9.712 -26.141 -8.697 172 HE22 GLN 25 HE22 GLN 25 -10.612 -26.024 -7.263 173 H GLN 26 HN GLN 26 -12.560 -21.287 -9.637 174 HA GLN 26 HA GLN 26 -11.537 -18.674 -10.271 175 HB2 GLN 26 HB2 GLN 26 -13.285 -19.668 -8.012 176 HB3 GLN 26 HB1 GLN 26 -12.902 -17.971 -8.303 177 HG2 GLN 26 HG2 GLN 26 -13.888 -18.132 -10.559 178 HG3 GLN 26 HG1 GLN 26 -14.277 -19.827 -10.267 179 HE21 GLN 26 HE21 GLN 26 -16.560 -19.742 -10.155 180 HE22 GLN 26 HE22 GLN 26 -17.411 -18.777 -9.045 181 H PHE 27 HN PHE 27 -10.362 -17.315 -8.891 182 HA PHE 27 HA PHE 27 -8.346 -18.726 -7.300 183 HB2 PHE 27 HB2 PHE 27 -7.524 -17.089 -8.899 184 HB3 PHE 27 HB1 PHE 27 -8.540 -15.834 -8.184 185 HD1 PHE 27 HD1 PHE 27 -5.684 -18.128 -7.525 186 HD2 PHE 27 HD2 PHE 27 -7.861 -14.664 -6.223 187 HE1 PHE 27 HE1 PHE 27 -3.902 -17.631 -5.875 188 HE2 PHE 27 HE2 PHE 27 -6.078 -14.164 -4.572 189 HZ PHE 27 HZ PHE 27 -4.099 -15.648 -4.399 190 H ASP 28 HN ASP 28 -8.483 -18.913 -5.197 191 HA ASP 28 HA ASP 28 -10.505 -17.482 -3.702 192 HB2 ASP 28 HB2 ASP 28 -9.754 -18.880 -1.832 193 HB3 ASP 28 HB1 ASP 28 -10.071 -19.854 -3.262 194 H ASP 29 HN ASP 29 -9.824 -15.326 -3.733 195 HA ASP 29 HA ASP 29 -7.229 -14.433 -3.091 196 HB2 ASP 29 HB2 ASP 29 -8.290 -12.242 -2.716 197 HB3 ASP 29 HB1 ASP 29 -8.877 -13.001 -4.196 198 H SER 30 HN SER 30 -9.970 -15.320 -1.077 199 HA SER 30 HA SER 30 -9.077 -14.132 1.334 200 HB2 SER 30 HB2 SER 30 -11.371 -14.946 1.057 201 HB3 SER 30 HB1 SER 30 -10.780 -16.598 0.901 202 HG SER 30 HG SER 30 -9.918 -16.382 3.020 203 H ALA 31 HN ALA 31 -8.670 -17.417 0.017 204 HA ALA 31 HA ALA 31 -7.119 -18.411 2.166 205 HB1 ALA 31 HB1 ALA 31 -7.531 -20.283 1.011 206 HB2 ALA 31 HB2 ALA 31 -6.349 -19.761 -0.190 207 HB3 ALA 31 HB3 ALA 31 -8.052 -19.346 -0.390 208 H TYR 32 HN TYR 32 -6.249 -16.896 -0.912 209 HA TYR 32 HA TYR 32 -3.464 -17.261 -0.748 210 HB2 TYR 32 HB2 TYR 32 -4.585 -16.551 -2.810 211 HB3 TYR 32 HB1 TYR 32 -5.015 -15.016 -2.057 212 HD1 TYR 32 HD1 TYR 32 -3.413 -13.255 -1.801 213 HD2 TYR 32 HD2 TYR 32 -2.182 -17.116 -3.215 214 HE1 TYR 32 HE1 TYR 32 -1.207 -12.317 -2.435 215 HE2 TYR 32 HE2 TYR 32 0.025 -16.180 -3.848 216 HH TYR 32 HH TYR 32 1.431 -14.369 -3.469 217 H GLU 33 HN GLU 33 -5.504 -14.531 0.269 218 HA GLU 33 HA GLU 33 -3.360 -12.982 1.325 219 HB2 GLU 33 HB2 GLU 33 -5.110 -11.640 2.383 220 HB3 GLU 33 HB1 GLU 33 -5.560 -12.017 0.718 221 HG2 GLU 33 HG2 GLU 33 -6.948 -13.894 1.526 222 HG3 GLU 33 HG1 GLU 33 -6.517 -13.492 3.188 223 H GLU 34 HN GLU 34 -5.485 -15.433 2.645 224 HA GLU 34 HA GLU 34 -4.950 -15.076 5.375 225 HB2 GLU 34 HB2 GLU 34 -6.746 -16.528 4.566 226 HB3 GLU 34 HB1 GLU 34 -5.558 -17.642 3.891 227 HG2 GLU 34 HG2 GLU 34 -6.316 -18.462 6.070 228 HG3 GLU 34 HG1 GLU 34 -4.622 -17.987 6.166 229 H ALA 35 HN ALA 35 -3.286 -17.174 3.000 230 HA ALA 35 HA ALA 35 -1.430 -18.268 4.830 231 HB1 ALA 35 HB1 ALA 35 -0.220 -18.049 2.259 232 HB2 ALA 35 HB2 ALA 35 -1.933 -18.402 2.028 233 HB3 ALA 35 HB3 ALA 35 -0.937 -19.473 3.013 234 H TYR 36 HN TYR 36 -1.186 -15.478 2.642 235 HA TYR 36 HA TYR 36 1.444 -14.786 3.644 236 HB2 TYR 36 HB2 TYR 36 -0.423 -13.395 1.715 237 HB3 TYR 36 HB1 TYR 36 1.189 -12.808 2.129 238 HD1 TYR 36 HD1 TYR 36 -0.731 -15.353 0.324 239 HD2 TYR 36 HD2 TYR 36 3.202 -14.106 1.514 240 HE1 TYR 36 HE1 TYR 36 0.263 -16.906 -1.334 241 HE2 TYR 36 HE2 TYR 36 4.195 -15.657 -0.146 242 HH TYR 36 HH TYR 36 3.031 -16.747 -2.569 243 H GLY 37 HN GLY 37 -1.786 -14.130 4.526 244 HA2 GLY 37 HA2 GLY 37 -2.607 -12.927 6.323 245 HA3 GLY 37 HA1 GLY 37 -0.952 -12.470 6.718 246 H VAL 38 HN VAL 38 -1.932 -11.874 3.482 247 HA VAL 38 HA VAL 38 -2.543 -9.056 4.130 248 HB VAL 38 HB VAL 38 -1.166 -8.362 2.183 249 HG11 VAL 38 HG11 VAL 38 -0.352 -8.663 4.666 250 HG12 VAL 38 HG12 VAL 38 0.828 -8.337 3.397 251 HG13 VAL 38 HG13 VAL 38 0.603 -9.982 3.991 252 HG21 VAL 38 HG21 VAL 38 0.381 -10.850 2.122 253 HG22 VAL 38 HG22 VAL 38 -0.209 -9.867 0.784 254 HG23 VAL 38 HG23 VAL 38 -1.267 -11.061 1.536 255 H SER 39 HN SER 39 -4.129 -8.144 2.971 256 HA SER 39 HA SER 39 -5.852 -9.794 1.398 257 HB2 SER 39 HB2 SER 39 -5.841 -6.802 1.844 258 HB3 SER 39 HB1 SER 39 -7.135 -7.695 1.051 259 HG SER 39 HG SER 39 -7.038 -7.245 3.535 260 H VAL 40 HN VAL 40 -6.378 -9.646 -0.777 261 HA VAL 40 HA VAL 40 -4.320 -8.358 -2.461 262 HB VAL 40 HB VAL 40 -4.718 -10.120 -4.110 263 HG11 VAL 40 HG11 VAL 40 -3.423 -11.741 -3.049 264 HG12 VAL 40 HG12 VAL 40 -4.261 -11.541 -1.508 265 HG13 VAL 40 HG13 VAL 40 -3.113 -10.319 -2.054 266 HG21 VAL 40 HG21 VAL 40 -6.074 -12.112 -3.400 267 HG22 VAL 40 HG22 VAL 40 -7.035 -10.651 -3.633 268 HG23 VAL 40 HG23 VAL 40 -6.618 -11.182 -2.003 269 HA PRO 41 HA PRO 41 -7.699 -5.851 -3.904 270 HB2 PRO 41 HB2 PRO 41 -5.899 -5.520 -6.262 271 HB3 PRO 41 HB1 PRO 41 -6.644 -4.283 -5.232 272 HG2 PRO 41 HG2 PRO 41 -4.062 -4.822 -5.033 273 HG3 PRO 41 HG1 PRO 41 -5.034 -4.495 -3.586 274 HD2 PRO 41 HD2 PRO 41 -4.055 -7.135 -4.639 275 HD3 PRO 41 HD1 PRO 41 -4.161 -6.562 -2.957 276 H SER 42 HN SER 42 -9.425 -6.147 -5.342 277 HA SER 42 HA SER 42 -9.787 -8.672 -6.497 278 HB2 SER 42 HB2 SER 42 -11.776 -7.715 -7.548 279 HB3 SER 42 HB1 SER 42 -11.639 -7.149 -5.886 280 HG SER 42 HG SER 42 -10.264 -5.485 -7.402 281 H ALA 43 HN ALA 43 -8.290 -5.786 -7.721 282 HA ALA 43 HA ALA 43 -8.443 -6.314 -10.489 283 HB1 ALA 43 HB1 ALA 43 -6.921 -4.589 -10.747 284 HB2 ALA 43 HB2 ALA 43 -6.009 -5.038 -9.306 285 HB3 ALA 43 HB3 ALA 43 -7.560 -4.215 -9.146 286 H VAL 44 HN VAL 44 -6.155 -7.323 -7.980 287 HA VAL 44 HA VAL 44 -4.329 -8.646 -9.718 288 HB VAL 44 HB VAL 44 -4.899 -8.944 -6.766 289 HG11 VAL 44 HG11 VAL 44 -3.923 -11.010 -7.894 290 HG12 VAL 44 HG12 VAL 44 -2.938 -10.314 -6.607 291 HG13 VAL 44 HG13 VAL 44 -2.519 -10.023 -8.296 292 HG21 VAL 44 HG21 VAL 44 -2.347 -7.878 -7.874 293 HG22 VAL 44 HG22 VAL 44 -3.252 -7.373 -6.446 294 HG23 VAL 44 HG23 VAL 44 -3.771 -6.851 -8.049 295 H VAL 45 HN VAL 45 -7.090 -9.723 -7.787 296 HA VAL 45 HA VAL 45 -6.876 -12.477 -8.353 297 HB VAL 45 HB VAL 45 -9.219 -10.754 -7.540 298 HG11 VAL 45 HG11 VAL 45 -8.985 -13.689 -8.110 299 HG12 VAL 45 HG12 VAL 45 -10.329 -12.593 -8.426 300 HG13 VAL 45 HG13 VAL 45 -10.022 -13.158 -6.785 301 HG21 VAL 45 HG21 VAL 45 -7.789 -12.810 -5.874 302 HG22 VAL 45 HG22 VAL 45 -8.695 -11.392 -5.349 303 HG23 VAL 45 HG23 VAL 45 -7.096 -11.201 -6.064 304 H GLU 46 HN GLU 46 -8.701 -9.874 -9.985 305 HA GLU 46 HA GLU 46 -10.153 -11.540 -11.725 306 HB2 GLU 46 HB2 GLU 46 -9.242 -8.673 -11.978 307 HB3 GLU 46 HB1 GLU 46 -10.293 -9.458 -13.158 308 HG2 GLU 46 HG2 GLU 46 -11.970 -9.895 -11.464 309 HG3 GLU 46 HG1 GLU 46 -10.900 -9.307 -10.193 310 H GLU 47 HN GLU 47 -7.009 -9.887 -12.217 311 HA GLU 47 HA GLU 47 -6.655 -10.799 -14.862 312 HB2 GLU 47 HB2 GLU 47 -4.301 -10.198 -14.570 313 HB3 GLU 47 HB1 GLU 47 -5.345 -8.951 -13.888 314 HG2 GLU 47 HG2 GLU 47 -5.038 -9.911 -11.644 315 HG3 GLU 47 HG1 GLU 47 -3.996 -11.165 -12.316 316 H MET 48 HN MET 48 -5.753 -12.218 -11.736 317 HA MET 48 HA MET 48 -4.262 -14.387 -12.827 318 HB2 MET 48 HB2 MET 48 -5.688 -14.048 -10.178 319 HB3 MET 48 HB1 MET 48 -4.667 -15.430 -10.574 320 HG2 MET 48 HG2 MET 48 -3.783 -12.529 -10.579 321 HG3 MET 48 HG1 MET 48 -3.387 -13.719 -9.340 322 HE1 MET 48 HE1 MET 48 -1.528 -13.025 -13.393 323 HE2 MET 48 HE2 MET 48 -1.980 -11.875 -12.138 324 HE3 MET 48 HE3 MET 48 -3.234 -12.739 -13.025 325 H ASN 49 HN ASN 49 -7.632 -13.913 -11.917 326 HA ASN 49 HA ASN 49 -8.505 -16.578 -12.380 327 HB2 ASN 49 HB2 ASN 49 -9.958 -13.932 -12.302 328 HB3 ASN 49 HB1 ASN 49 -10.784 -15.470 -12.545 329 HD21 ASN 49 HD21 ASN 49 -11.223 -13.808 -10.216 330 HD22 ASN 49 HD22 ASN 49 -10.653 -14.662 -8.862 331 H ALA 50 HN ALA 50 -8.270 -13.698 -14.386 332 HA ALA 50 HA ALA 50 -9.683 -14.637 -16.635 333 HB1 ALA 50 HB1 ALA 50 -9.289 -12.466 -17.079 334 HB2 ALA 50 HB2 ALA 50 -7.710 -12.988 -17.665 335 HB3 ALA 50 HB3 ALA 50 -7.891 -12.418 -16.006 336 H LYS 51 HN LYS 51 -6.260 -14.891 -15.746 337 HA LYS 51 HA LYS 51 -5.333 -16.056 -18.127 338 HB2 LYS 51 HB2 LYS 51 -4.357 -16.288 -15.276 339 HB3 LYS 51 HB1 LYS 51 -3.492 -16.971 -16.654 340 HG2 LYS 51 HG2 LYS 51 -3.372 -14.735 -17.691 341 HG3 LYS 51 HG1 LYS 51 -4.234 -14.050 -16.315 342 HD2 LYS 51 HD2 LYS 51 -2.421 -14.775 -14.809 343 HD3 LYS 51 HD1 LYS 51 -1.555 -15.466 -16.182 344 HE2 LYS 51 HE2 LYS 51 -1.423 -13.239 -17.231 345 HE3 LYS 51 HE1 LYS 51 -2.296 -12.542 -15.865 346 HZ1 LYS 51 HZ1 LYS 51 0.412 -12.853 -16.068 347 HZ2 LYS 51 HZ2 LYS 51 -0.063 -14.106 -15.023 348 HZ3 LYS 51 HZ3 LYS 51 -0.453 -12.494 -14.654 349 H ALA 52 HN ALA 52 -6.749 -17.505 -15.215 350 HA ALA 52 HA ALA 52 -6.280 -20.200 -15.830 351 HB1 ALA 52 HB1 ALA 52 -7.272 -20.416 -13.833 352 HB2 ALA 52 HB2 ALA 52 -8.814 -19.947 -14.544 353 HB3 ALA 52 HB3 ALA 52 -7.740 -18.716 -13.880 354 H ALA 53 HN ALA 53 -8.764 -17.956 -16.901 355 HA ALA 53 HA ALA 53 -10.562 -19.805 -18.031 356 HB1 ALA 53 HB1 ALA 53 -11.071 -17.749 -19.564 357 HB2 ALA 53 HB2 ALA 53 -9.969 -16.901 -18.480 358 HB3 ALA 53 HB3 ALA 53 -11.428 -17.656 -17.839 359 H GLN 54 HN GLN 54 -7.645 -18.269 -19.313 360 HA GLN 54 HA GLN 54 -8.031 -19.566 -21.906 361 HB2 GLN 54 HB2 GLN 54 -6.063 -17.545 -20.864 362 HB3 GLN 54 HB1 GLN 54 -5.802 -18.375 -22.400 363 HG2 GLN 54 HG2 GLN 54 -7.002 -16.557 -23.160 364 HG3 GLN 54 HG1 GLN 54 -8.337 -17.650 -22.802 365 HE21 GLN 54 HE21 GLN 54 -8.605 -14.766 -22.750 366 HE22 GLN 54 HE22 GLN 54 -8.932 -14.313 -21.147 367 H LEU 55 HN LEU 55 -6.520 -20.254 -18.936 368 HA LEU 55 HA LEU 55 -4.284 -21.729 -19.939 369 HB2 LEU 55 HB2 LEU 55 -5.678 -21.675 -17.268 370 HB3 LEU 55 HB1 LEU 55 -4.333 -22.765 -17.600 371 HG LEU 55 HG LEU 55 -4.188 -19.773 -18.037 372 HD11 LEU 55 HD11 LEU 55 -4.518 -20.777 -15.591 373 HD12 LEU 55 HD12 LEU 55 -3.361 -19.481 -15.893 374 HD13 LEU 55 HD13 LEU 55 -2.804 -21.150 -15.771 375 HD21 LEU 55 HD21 LEU 55 -2.541 -21.967 -18.786 376 HD22 LEU 55 HD22 LEU 55 -1.702 -21.105 -17.497 377 HD23 LEU 55 HD23 LEU 55 -2.190 -20.247 -18.958 378 H LYS 56 HN LYS 56 -4.059 -23.818 -20.436 379 HA LYS 56 HA LYS 56 -6.518 -25.419 -20.679 380 HB2 LYS 56 HB2 LYS 56 -3.802 -25.705 -21.992 381 HB3 LYS 56 HB1 LYS 56 -5.158 -26.807 -22.241 382 HG2 LYS 56 HG2 LYS 56 -6.530 -24.932 -23.080 383 HG3 LYS 56 HG1 LYS 56 -5.174 -23.831 -22.837 384 HD2 LYS 56 HD2 LYS 56 -3.819 -25.145 -24.429 385 HD3 LYS 56 HD1 LYS 56 -5.177 -26.244 -24.676 386 HE2 LYS 56 HE2 LYS 56 -6.544 -24.373 -25.518 387 HE3 LYS 56 HE1 LYS 56 -5.193 -23.269 -25.266 388 HZ1 LYS 56 HZ1 LYS 56 -5.398 -25.505 -27.188 389 HZ2 LYS 56 HZ2 LYS 56 -3.898 -24.836 -26.755 390 HZ3 LYS 56 HZ3 LYS 56 -5.078 -23.869 -27.505 391 H ASP 57 HN ASP 57 -6.254 -27.802 -20.291 392 HA ASP 57 HA ASP 57 -5.422 -28.308 -17.668 393 HB2 ASP 57 HB2 ASP 57 -5.764 -30.659 -18.175 394 HB3 ASP 57 HB1 ASP 57 -7.035 -29.710 -18.944 395 H GLY 58 HN GLY 58 -3.660 -29.568 -16.861 396 HA2 GLY 58 HA2 GLY 58 -1.498 -30.448 -16.866 397 HA3 GLY 58 HA1 GLY 58 -1.394 -30.117 -18.593 398 H GLU 59 HN GLU 59 -2.572 -27.406 -17.099 399 HA GLU 59 HA GLU 59 0.111 -26.264 -16.637 400 HB2 GLU 59 HB2 GLU 59 -2.136 -25.059 -18.254 401 HB3 GLU 59 HB1 GLU 59 -0.741 -24.142 -17.679 402 HG2 GLU 59 HG2 GLU 59 0.779 -25.602 -18.893 403 HG3 GLU 59 HG1 GLU 59 -0.558 -26.640 -19.384 404 H TRP 60 HN TRP 60 0.207 -24.541 -15.134 405 HA TRP 60 HA TRP 60 -2.251 -24.005 -13.618 406 HB2 TRP 60 HB2 TRP 60 0.367 -24.738 -12.294 407 HB3 TRP 60 HB1 TRP 60 -1.167 -24.393 -11.497 408 HD1 TRP 60 HD1 TRP 60 0.835 -27.214 -12.404 409 HE1 TRP 60 HE1 TRP 60 -0.563 -29.360 -12.682 410 HE3 TRP 60 HE3 TRP 60 -3.841 -25.188 -12.707 411 HZ2 TRP 60 HZ2 TRP 60 -3.300 -30.119 -12.999 412 HZ3 TRP 60 HZ3 TRP 60 -5.822 -26.645 -13.005 413 HH2 TRP 60 HH2 TRP 60 -5.560 -29.105 -13.149 414 H LEU 61 HN LEU 61 -2.246 -22.033 -12.499 415 HA LEU 61 HA LEU 61 -0.297 -20.096 -13.537 416 HB2 LEU 61 HB2 LEU 61 -2.716 -19.615 -13.823 417 HB3 LEU 61 HB1 LEU 61 -2.910 -19.638 -12.069 418 HG LEU 61 HG LEU 61 -1.291 -17.789 -11.861 419 HD11 LEU 61 HD11 LEU 61 -0.687 -18.584 -14.548 420 HD12 LEU 61 HD12 LEU 61 0.144 -17.388 -13.550 421 HD13 LEU 61 HD13 LEU 61 -1.208 -16.899 -14.573 422 HD21 LEU 61 HD21 LEU 61 -2.686 -16.042 -13.065 423 HD22 LEU 61 HD22 LEU 61 -3.612 -17.142 -12.045 424 HD23 LEU 61 HD23 LEU 61 -3.592 -17.368 -13.795 425 H ASN 62 HN ASN 62 1.109 -18.990 -12.203 426 HA ASN 62 HA ASN 62 1.135 -19.855 -9.384 427 HB2 ASN 62 HB2 ASN 62 3.154 -20.414 -10.648 428 HB3 ASN 62 HB1 ASN 62 3.350 -18.726 -11.109 429 HD21 ASN 62 HD21 ASN 62 3.396 -20.930 -8.295 430 HD22 ASN 62 HD22 ASN 62 4.308 -19.896 -7.304 431 H VAL 63 HN VAL 63 0.585 -18.424 -7.874 432 HA VAL 63 HA VAL 63 0.728 -15.546 -8.555 433 HB VAL 63 HB VAL 63 -1.159 -16.971 -6.663 434 HG11 VAL 63 HG11 VAL 63 -2.151 -14.821 -6.265 435 HG12 VAL 63 HG12 VAL 63 -1.156 -14.064 -7.510 436 HG13 VAL 63 HG13 VAL 63 -0.416 -14.628 -6.012 437 HG21 VAL 63 HG21 VAL 63 -1.264 -16.728 -9.437 438 HG22 VAL 63 HG22 VAL 63 -2.275 -15.401 -8.864 439 HG23 VAL 63 HG23 VAL 63 -2.635 -17.057 -8.377 440 H SER 64 HN SER 64 2.153 -14.389 -7.413 441 HA SER 64 HA SER 64 2.815 -15.225 -4.672 442 HB2 SER 64 HB2 SER 64 4.833 -14.545 -6.824 443 HB3 SER 64 HB1 SER 64 5.208 -14.803 -5.123 444 HG SER 64 HG SER 64 4.644 -16.910 -5.316 445 H HIS 65 HN HIS 65 4.111 -13.437 -3.557 446 HA HIS 65 HA HIS 65 3.567 -10.764 -4.629 447 HB2 HIS 65 HB2 HIS 65 2.293 -10.019 -2.806 448 HB3 HIS 65 HB1 HIS 65 1.638 -11.629 -3.111 449 HD1 HIS 65 HD1 HIS 65 1.573 -10.277 -0.270 450 HD2 HIS 65 HD2 HIS 65 4.460 -13.002 -1.547 451 HE1 HIS 65 HE1 HIS 65 2.565 -11.302 1.822 452 H GLU 66 HN GLU 66 4.753 -9.071 -3.450 453 HA GLU 66 HA GLU 66 7.197 -10.168 -2.226 454 HB2 GLU 66 HB2 GLU 66 7.533 -8.845 -4.269 455 HB3 GLU 66 HB1 GLU 66 6.680 -7.487 -3.538 456 HG2 GLU 66 HG2 GLU 66 8.371 -7.335 -1.777 457 HG3 GLU 66 HG1 GLU 66 9.211 -8.739 -2.435 458 H ALA 67 HN ALA 67 7.591 -9.799 -0.136 459 HA ALA 67 HA ALA 67 5.749 -8.680 1.623 460 HB1 ALA 67 HB1 ALA 67 8.457 -9.705 1.763 461 HB2 ALA 67 HB2 ALA 67 7.189 -9.732 2.987 462 HB3 ALA 67 HB3 ALA 67 8.243 -8.325 2.840 Start of MODEL 15 1 H MET 1 HT1 MET 1 5.535 -1.449 0.570 2 HA MET 1 HA MET 1 3.406 -1.150 -0.486 3 HB2 MET 1 HB2 MET 1 5.128 -0.799 -2.955 4 HG2 MET 1 HG2 MET 1 2.945 0.933 -1.754 5 HE1 MET 1 HE1 MET 1 2.392 1.350 -5.509 6 HE2 MET 1 HE2 MET 1 1.635 1.357 -3.917 7 HE3 MET 1 HE3 MET 1 2.526 -0.065 -4.455 8 H THR 2 HN THR 2 2.415 -2.877 -1.997 9 HA THR 2 HA THR 2 4.004 -5.360 -1.728 10 HB THR 2 HB THR 2 0.998 -5.022 -1.629 11 HG1 THR 2 HG1 THR 2 2.915 -4.792 0.212 12 HG21 THR 2 HG21 THR 2 2.806 -7.439 -1.390 13 HG22 THR 2 HG22 THR 2 1.565 -7.155 -2.610 14 HG23 THR 2 HG23 THR 2 1.102 -7.441 -0.933 15 H THR 3 HN THR 3 4.458 -6.434 -3.530 16 HA THR 3 HA THR 3 2.946 -5.772 -5.988 17 HB THR 3 HB THR 3 5.862 -6.517 -5.678 18 HG1 THR 3 HG1 THR 3 6.193 -4.405 -6.318 19 HG21 THR 3 HG21 THR 3 5.500 -7.349 -7.766 20 HG22 THR 3 HG22 THR 3 5.583 -5.649 -8.227 21 HG23 THR 3 HG23 THR 3 4.017 -6.423 -7.991 22 H PHE 4 HN PHE 4 1.964 -7.396 -7.009 23 HA PHE 4 HA PHE 4 2.543 -10.143 -6.117 24 HB2 PHE 4 HB2 PHE 4 0.115 -8.943 -7.473 25 HB3 PHE 4 HB1 PHE 4 0.298 -10.643 -7.058 26 HD1 PHE 4 HD1 PHE 4 0.358 -11.376 -4.704 27 HD2 PHE 4 HD2 PHE 4 -0.285 -7.264 -5.764 28 HE1 PHE 4 HE1 PHE 4 -0.438 -10.907 -2.403 29 HE2 PHE 4 HE2 PHE 4 -1.079 -6.794 -3.462 30 HZ PHE 4 HZ PHE 4 -1.156 -8.617 -1.782 31 H THR 5 HN THR 5 3.259 -11.640 -7.523 32 HA THR 5 HA THR 5 3.367 -10.906 -10.384 33 HB THR 5 HB THR 5 5.575 -11.957 -10.506 34 HG1 THR 5 HG1 THR 5 4.935 -12.544 -7.867 35 HG21 THR 5 HG21 THR 5 5.888 -10.100 -8.208 36 HG22 THR 5 HG22 THR 5 5.037 -9.481 -9.623 37 HG23 THR 5 HG23 THR 5 6.687 -10.086 -9.781 38 H SER 6 HN SER 6 3.485 -12.712 -11.856 39 HA SER 6 HA SER 6 2.882 -15.371 -10.841 40 HB2 SER 6 HB2 SER 6 0.663 -14.326 -10.838 41 HB3 SER 6 HB1 SER 6 0.872 -13.852 -12.520 42 HG SER 6 HG SER 6 -0.032 -16.144 -11.563 43 H ILE 7 HN ILE 7 3.114 -17.015 -12.409 44 HA ILE 7 HA ILE 7 3.950 -16.205 -15.104 45 HB ILE 7 HB ILE 7 5.645 -17.453 -13.026 46 HG12 ILE 7 HG12 ILE 7 7.279 -16.635 -15.020 47 HG13 ILE 7 HG11 ILE 7 5.858 -15.656 -15.387 48 HG21 ILE 7 HG21 ILE 7 6.816 -18.899 -14.630 49 HG22 ILE 7 HG22 ILE 7 5.644 -18.477 -15.880 50 HG23 ILE 7 HG23 ILE 7 5.132 -19.402 -14.468 51 HD11 ILE 7 HD11 ILE 7 6.460 -15.693 -12.531 52 HD12 ILE 7 HD12 ILE 7 6.211 -14.316 -13.604 53 HD13 ILE 7 HD13 ILE 7 7.803 -15.063 -13.482 54 H VAL 8 HN VAL 8 3.802 -18.031 -16.645 55 HA VAL 8 HA VAL 8 1.741 -19.923 -15.740 56 HB VAL 8 HB VAL 8 1.163 -18.604 -17.699 57 HG11 VAL 8 HG11 VAL 8 3.119 -19.874 -19.485 58 HG12 VAL 8 HG12 VAL 8 3.847 -18.785 -18.306 59 HG13 VAL 8 HG13 VAL 8 2.599 -18.191 -19.402 60 HG21 VAL 8 HG21 VAL 8 1.701 -21.154 -19.064 61 HG22 VAL 8 HG22 VAL 8 0.159 -20.383 -18.695 62 HG23 VAL 8 HG23 VAL 8 0.978 -21.348 -17.467 63 H THR 9 HN THR 9 2.635 -21.644 -14.893 64 HA THR 9 HA THR 9 4.164 -23.448 -16.578 65 HB THR 9 HB THR 9 5.891 -22.041 -15.357 66 HG1 THR 9 HG1 THR 9 6.943 -23.824 -15.591 67 HG21 THR 9 HG21 THR 9 6.146 -22.419 -12.950 68 HG22 THR 9 HG22 THR 9 4.725 -23.465 -12.948 69 HG23 THR 9 HG23 THR 9 4.553 -21.743 -13.286 70 H THR 10 HN THR 10 4.005 -25.696 -15.691 71 HA THR 10 HA THR 10 2.057 -25.783 -13.465 72 HB THR 10 HB THR 10 0.670 -26.433 -15.177 73 HG1 THR 10 HG1 THR 10 2.034 -28.867 -14.702 74 HG21 THR 10 HG21 THR 10 1.930 -28.186 -16.895 75 HG22 THR 10 HG22 THR 10 3.217 -27.052 -16.501 76 HG23 THR 10 HG23 THR 10 1.708 -26.463 -17.193 77 H ASN 11 HN ASN 11 3.617 -26.223 -11.937 78 HA ASN 11 HA ASN 11 4.337 -29.018 -11.695 79 HB2 ASN 11 HB2 ASN 11 6.794 -28.307 -11.270 80 HB3 ASN 11 HB1 ASN 11 6.251 -28.483 -12.938 81 HD21 ASN 11 HD21 ASN 11 8.322 -26.605 -11.557 82 HD22 ASN 11 HD22 ASN 11 7.903 -25.070 -12.149 83 HA PRO 12 HA PRO 12 3.918 -26.231 -7.843 84 HB2 PRO 12 HB2 PRO 12 1.356 -26.865 -7.119 85 HB3 PRO 12 HB1 PRO 12 1.765 -25.488 -8.162 86 HG2 PRO 12 HG2 PRO 12 0.741 -28.184 -8.903 87 HG3 PRO 12 HG1 PRO 12 0.325 -26.596 -9.569 88 HD2 PRO 12 HD2 PRO 12 2.040 -28.323 -10.820 89 HD3 PRO 12 HD1 PRO 12 2.156 -26.557 -10.982 90 H ASP 13 HN ASP 13 5.175 -27.415 -6.498 91 HA ASP 13 HA ASP 13 4.620 -30.199 -5.930 92 HB2 ASP 13 HB2 ASP 13 6.733 -28.260 -4.992 93 HB3 ASP 13 HB1 ASP 13 6.611 -29.906 -4.374 94 H PHE 14 HN PHE 14 4.341 -31.024 -3.769 95 HA PHE 14 HA PHE 14 2.666 -29.243 -2.129 96 HB2 PHE 14 HB2 PHE 14 2.946 -32.258 -2.141 97 HB3 PHE 14 HB1 PHE 14 1.885 -31.349 -1.064 98 HD1 PHE 14 HD1 PHE 14 -0.055 -30.105 -1.956 99 HD2 PHE 14 HD2 PHE 14 2.428 -32.526 -4.491 100 HE1 PHE 14 HE1 PHE 14 -1.799 -30.048 -3.719 101 HE2 PHE 14 HE2 PHE 14 0.685 -32.467 -6.254 102 HZ PHE 14 HZ PHE 14 -1.429 -31.228 -5.868 103 H GLY 15 HN GLY 15 5.768 -29.687 -2.262 104 HA2 GLY 15 HA2 GLY 15 6.301 -30.472 0.504 105 HA3 GLY 15 HA1 GLY 15 7.503 -30.136 -0.737 106 H GLY 16 HN GLY 16 5.198 -27.742 -0.856 107 HA2 GLY 16 HA2 GLY 16 6.270 -26.074 1.276 108 HA3 GLY 16 HA1 GLY 16 6.688 -25.567 -0.357 109 H PHE 17 HN PHE 17 5.371 -23.683 0.790 110 HA PHE 17 HA PHE 17 2.488 -24.056 0.379 111 HB2 PHE 17 HB2 PHE 17 2.267 -21.876 1.501 112 HB3 PHE 17 HB1 PHE 17 3.202 -23.002 2.485 113 HD1 PHE 17 HD1 PHE 17 5.622 -22.738 2.759 114 HD2 PHE 17 HD2 PHE 17 3.331 -19.974 0.401 115 HE1 PHE 17 HE1 PHE 17 7.526 -21.148 2.773 116 HE2 PHE 17 HE2 PHE 17 5.235 -18.384 0.414 117 HZ PHE 17 HZ PHE 17 7.332 -18.972 1.601 118 H GLU 18 HN GLU 18 1.642 -23.533 -1.506 119 HA GLU 18 HA GLU 18 2.419 -21.106 -2.875 120 HB2 GLU 18 HB2 GLU 18 2.839 -23.816 -4.153 121 HB3 GLU 18 HB1 GLU 18 2.852 -22.285 -5.032 122 HG2 GLU 18 HG2 GLU 18 5.114 -22.519 -4.591 123 HG3 GLU 18 HG1 GLU 18 4.610 -21.613 -3.164 124 H PHE 19 HN PHE 19 0.738 -20.324 -4.168 125 HA PHE 19 HA PHE 19 -1.694 -22.005 -4.161 126 HB2 PHE 19 HB2 PHE 19 -1.836 -19.868 -2.876 127 HB3 PHE 19 HB1 PHE 19 -1.524 -18.990 -4.375 128 HD1 PHE 19 HD1 PHE 19 -3.907 -21.180 -2.592 129 HD2 PHE 19 HD2 PHE 19 -3.211 -18.828 -6.120 130 HE1 PHE 19 HE1 PHE 19 -6.306 -21.367 -3.190 131 HE2 PHE 19 HE2 PHE 19 -5.610 -19.017 -6.716 132 HZ PHE 19 HZ PHE 19 -7.158 -20.284 -5.252 133 H TYR 20 HN TYR 20 -2.412 -22.705 -6.047 134 HA TYR 20 HA TYR 20 -1.700 -21.204 -8.491 135 HB2 TYR 20 HB2 TYR 20 -1.678 -24.213 -8.150 136 HB3 TYR 20 HB1 TYR 20 -1.438 -23.358 -9.674 137 HD1 TYR 20 HD1 TYR 20 0.036 -24.241 -6.435 138 HD2 TYR 20 HD2 TYR 20 0.585 -22.004 -10.060 139 HE1 TYR 20 HE1 TYR 20 2.443 -23.970 -5.904 140 HE2 TYR 20 HE2 TYR 20 2.992 -21.734 -9.529 141 HH TYR 20 HH TYR 20 4.613 -22.156 -8.081 142 H VAL 21 HN VAL 21 -3.301 -21.035 -10.020 143 HA VAL 21 HA VAL 21 -5.963 -21.938 -9.168 144 HB VAL 21 HB VAL 21 -5.118 -19.969 -11.310 145 HG11 VAL 21 HG11 VAL 21 -7.779 -21.085 -10.453 146 HG12 VAL 21 HG12 VAL 21 -7.165 -20.813 -12.084 147 HG13 VAL 21 HG13 VAL 21 -7.675 -19.446 -11.094 148 HG21 VAL 21 HG21 VAL 21 -6.431 -19.608 -8.597 149 HG22 VAL 21 HG22 VAL 21 -6.134 -18.317 -9.763 150 HG23 VAL 21 HG23 VAL 21 -4.776 -19.156 -9.011 151 H GLU 22 HN GLU 22 -6.780 -23.726 -10.017 152 HA GLU 22 HA GLU 22 -5.541 -25.111 -12.179 153 HB2 GLU 22 HB2 GLU 22 -8.194 -25.485 -10.776 154 HB3 GLU 22 HB1 GLU 22 -7.592 -26.575 -12.023 155 HG2 GLU 22 HG2 GLU 22 -5.631 -27.101 -10.689 156 HG3 GLU 22 HG1 GLU 22 -6.082 -25.897 -9.484 157 H ALA 23 HN ALA 23 -6.213 -25.331 -14.312 158 HA ALA 23 HA ALA 23 -7.249 -23.119 -15.611 159 HB1 ALA 23 HB1 ALA 23 -6.049 -24.935 -16.763 160 HB2 ALA 23 HB2 ALA 23 -7.589 -24.591 -17.550 161 HB3 ALA 23 HB3 ALA 23 -7.426 -26.005 -16.508 162 H GLY 24 HN GLY 24 -9.214 -22.300 -15.924 163 HA2 GLY 24 HA2 GLY 24 -11.520 -22.154 -16.083 164 HA3 GLY 24 HA1 GLY 24 -11.600 -23.907 -15.946 165 H GLN 25 HN GLN 25 -9.783 -22.388 -13.458 166 HA GLN 25 HA GLN 25 -12.110 -22.621 -11.645 167 HB2 GLN 25 HB2 GLN 25 -9.202 -23.198 -11.048 168 HB3 GLN 25 HB1 GLN 25 -10.521 -23.277 -9.879 169 HG2 GLN 25 HG2 GLN 25 -10.277 -24.941 -12.404 170 HG3 GLN 25 HG1 GLN 25 -10.043 -25.518 -10.754 171 HE21 GLN 25 HE21 GLN 25 -12.297 -25.582 -13.155 172 HE22 GLN 25 HE22 GLN 25 -13.715 -25.629 -12.222 173 H GLN 26 HN GLN 26 -12.342 -21.117 -10.004 174 HA GLN 26 HA GLN 26 -11.333 -18.494 -10.596 175 HB2 GLN 26 HB2 GLN 26 -13.025 -19.483 -8.290 176 HB3 GLN 26 HB1 GLN 26 -12.728 -17.791 -8.693 177 HG2 GLN 26 HG2 GLN 26 -14.693 -18.069 -9.853 178 HG3 GLN 26 HG1 GLN 26 -13.576 -18.634 -11.095 179 HE21 GLN 26 HE21 GLN 26 -16.382 -19.515 -10.739 180 HE22 GLN 26 HE22 GLN 26 -16.319 -21.186 -10.443 181 H PHE 27 HN PHE 27 -10.288 -17.110 -9.092 182 HA PHE 27 HA PHE 27 -8.177 -18.479 -7.587 183 HB2 PHE 27 HB2 PHE 27 -7.466 -16.718 -9.108 184 HB3 PHE 27 HB1 PHE 27 -8.554 -15.567 -8.333 185 HD1 PHE 27 HD1 PHE 27 -7.940 -14.444 -6.324 186 HD2 PHE 27 HD2 PHE 27 -5.553 -17.700 -7.784 187 HE1 PHE 27 HE1 PHE 27 -6.181 -13.897 -4.663 188 HE2 PHE 27 HE2 PHE 27 -3.795 -17.156 -6.122 189 HZ PHE 27 HZ PHE 27 -4.109 -15.254 -4.561 190 H ASP 28 HN ASP 28 -8.413 -18.824 -5.471 191 HA ASP 28 HA ASP 28 -10.465 -17.400 -3.977 192 HB2 ASP 28 HB2 ASP 28 -10.175 -19.827 -3.669 193 HB3 ASP 28 HB1 ASP 28 -8.528 -19.557 -3.100 194 H ASP 29 HN ASP 29 -9.828 -15.341 -3.576 195 HA ASP 29 HA ASP 29 -7.167 -14.595 -2.884 196 HB2 ASP 29 HB2 ASP 29 -8.157 -12.404 -2.373 197 HB3 ASP 29 HB1 ASP 29 -8.736 -13.023 -3.918 198 H SER 30 HN SER 30 -9.895 -15.741 -1.050 199 HA SER 30 HA SER 30 -9.191 -14.663 1.473 200 HB2 SER 30 HB2 SER 30 -10.731 -17.163 0.749 201 HB3 SER 30 HB1 SER 30 -10.603 -16.514 2.381 202 HG SER 30 HG SER 30 -11.570 -15.092 0.119 203 H ALA 31 HN ALA 31 -8.423 -17.783 -0.077 204 HA ALA 31 HA ALA 31 -6.953 -18.841 2.095 205 HB1 ALA 31 HB1 ALA 31 -6.086 -20.450 0.465 206 HB2 ALA 31 HB2 ALA 31 -6.680 -19.445 -0.858 207 HB3 ALA 31 HB3 ALA 31 -7.821 -20.220 0.243 208 H TYR 32 HN TYR 32 -5.973 -17.008 -0.777 209 HA TYR 32 HA TYR 32 -3.189 -17.144 -0.359 210 HB2 TYR 32 HB2 TYR 32 -4.228 -16.392 -2.477 211 HB3 TYR 32 HB1 TYR 32 -4.775 -14.922 -1.668 212 HD1 TYR 32 HD1 TYR 32 -3.164 -13.220 -0.914 213 HD2 TYR 32 HD2 TYR 32 -1.883 -16.741 -3.011 214 HE1 TYR 32 HE1 TYR 32 -0.961 -12.163 -1.340 215 HE2 TYR 32 HE2 TYR 32 0.322 -15.688 -3.432 216 HH TYR 32 HH TYR 32 1.026 -12.875 -3.524 217 H GLU 33 HN GLU 33 -5.571 -14.678 0.575 218 HA GLU 33 HA GLU 33 -3.695 -13.018 1.933 219 HB2 GLU 33 HB2 GLU 33 -5.631 -11.829 2.772 220 HB3 GLU 33 HB1 GLU 33 -5.914 -12.243 1.081 221 HG2 GLU 33 HG2 GLU 33 -7.195 -14.243 1.808 222 HG3 GLU 33 HG1 GLU 33 -6.961 -13.760 3.487 223 H GLU 34 HN GLU 34 -5.828 -15.633 2.936 224 HA GLU 34 HA GLU 34 -5.564 -15.338 5.716 225 HB2 GLU 34 HB2 GLU 34 -7.221 -16.828 4.673 226 HB3 GLU 34 HB1 GLU 34 -5.922 -17.893 4.134 227 HG2 GLU 34 HG2 GLU 34 -5.260 -18.300 6.460 228 HG3 GLU 34 HG1 GLU 34 -6.512 -17.196 7.025 229 H ALA 35 HN ALA 35 -3.643 -17.328 3.452 230 HA ALA 35 HA ALA 35 -1.891 -18.375 5.415 231 HB1 ALA 35 HB1 ALA 35 -0.408 -18.884 3.475 232 HB2 ALA 35 HB2 ALA 35 -1.500 -17.956 2.444 233 HB3 ALA 35 HB3 ALA 35 -2.071 -19.423 3.240 234 H TYR 36 HN TYR 36 -1.589 -15.594 3.225 235 HA TYR 36 HA TYR 36 0.962 -14.828 4.360 236 HB2 TYR 36 HB2 TYR 36 -0.846 -13.515 2.325 237 HB3 TYR 36 HB1 TYR 36 0.709 -12.849 2.828 238 HD1 TYR 36 HD1 TYR 36 -0.920 -15.072 0.573 239 HD2 TYR 36 HD2 TYR 36 2.757 -14.477 2.713 240 HE1 TYR 36 HE1 TYR 36 0.243 -16.592 -1.006 241 HE2 TYR 36 HE2 TYR 36 3.920 -15.995 1.133 242 HH TYR 36 HH TYR 36 2.152 -17.582 -1.529 243 H GLY 37 HN GLY 37 -2.327 -14.214 5.077 244 HA2 GLY 37 HA2 GLY 37 -3.242 -13.015 6.833 245 HA3 GLY 37 HA1 GLY 37 -1.614 -12.528 7.295 246 H VAL 38 HN VAL 38 -2.466 -11.978 4.014 247 HA VAL 38 HA VAL 38 -3.143 -9.163 4.603 248 HB VAL 38 HB VAL 38 -1.707 -8.474 2.695 249 HG11 VAL 38 HG11 VAL 38 -0.923 -9.326 5.303 250 HG12 VAL 38 HG12 VAL 38 -0.184 -8.078 4.302 251 HG13 VAL 38 HG13 VAL 38 0.377 -9.745 4.189 252 HG21 VAL 38 HG21 VAL 38 -1.777 -11.096 1.970 253 HG22 VAL 38 HG22 VAL 38 -0.218 -11.039 2.792 254 HG23 VAL 38 HG23 VAL 38 -0.532 -9.973 1.422 255 H SER 39 HN SER 39 -4.703 -8.289 3.375 256 HA SER 39 HA SER 39 -6.410 -9.948 1.850 257 HB2 SER 39 HB2 SER 39 -6.250 -6.933 2.010 258 HB3 SER 39 HB1 SER 39 -7.567 -7.829 1.260 259 HG SER 39 HG SER 39 -6.703 -8.211 3.937 260 H VAL 40 HN VAL 40 -6.808 -10.073 -0.337 261 HA VAL 40 HA VAL 40 -4.609 -9.153 -2.076 262 HB VAL 40 HB VAL 40 -6.606 -11.390 -2.486 263 HG11 VAL 40 HG11 VAL 40 -4.885 -9.949 -4.300 264 HG12 VAL 40 HG12 VAL 40 -6.007 -11.263 -4.651 265 HG13 VAL 40 HG13 VAL 40 -4.349 -11.625 -4.172 266 HG21 VAL 40 HG21 VAL 40 -5.109 -12.784 -1.518 267 HG22 VAL 40 HG22 VAL 40 -4.362 -11.331 -0.852 268 HG23 VAL 40 HG23 VAL 40 -3.751 -12.027 -2.353 269 HA PRO 41 HA PRO 41 -7.552 -6.168 -3.656 270 HB2 PRO 41 HB2 PRO 41 -5.567 -6.164 -5.894 271 HB3 PRO 41 HB1 PRO 41 -6.234 -4.798 -4.976 272 HG2 PRO 41 HG2 PRO 41 -3.767 -5.625 -4.532 273 HG3 PRO 41 HG1 PRO 41 -4.810 -5.141 -3.183 274 HD2 PRO 41 HD2 PRO 41 -4.048 -7.906 -4.076 275 HD3 PRO 41 HD1 PRO 41 -4.255 -7.270 -2.425 276 H SER 42 HN SER 42 -9.319 -6.436 -4.947 277 HA SER 42 HA SER 42 -9.824 -8.854 -6.270 278 HB2 SER 42 HB2 SER 42 -11.848 -7.764 -7.100 279 HB3 SER 42 HB1 SER 42 -11.586 -7.367 -5.405 280 HG SER 42 HG SER 42 -11.012 -5.358 -5.951 281 H ALA 43 HN ALA 43 -8.523 -5.804 -7.482 282 HA ALA 43 HA ALA 43 -8.903 -6.256 -10.230 283 HB1 ALA 43 HB1 ALA 43 -7.488 -4.386 -8.583 284 HB2 ALA 43 HB2 ALA 43 -7.976 -4.216 -10.271 285 HB3 ALA 43 HB3 ALA 43 -6.415 -4.932 -9.871 286 H VAL 44 HN VAL 44 -6.280 -7.217 -8.048 287 HA VAL 44 HA VAL 44 -4.621 -8.388 -10.037 288 HB VAL 44 HB VAL 44 -4.832 -8.836 -7.053 289 HG11 VAL 44 HG11 VAL 44 -2.628 -9.755 -8.919 290 HG12 VAL 44 HG12 VAL 44 -3.910 -10.815 -8.333 291 HG13 VAL 44 HG13 VAL 44 -2.777 -10.090 -7.193 292 HG21 VAL 44 HG21 VAL 44 -2.597 -7.595 -7.194 293 HG22 VAL 44 HG22 VAL 44 -4.035 -6.635 -7.539 294 HG23 VAL 44 HG23 VAL 44 -3.025 -7.217 -8.863 295 H VAL 45 HN VAL 45 -7.146 -9.639 -7.914 296 HA VAL 45 HA VAL 45 -6.887 -12.371 -8.490 297 HB VAL 45 HB VAL 45 -9.261 -10.713 -7.633 298 HG11 VAL 45 HG11 VAL 45 -9.632 -13.401 -6.898 299 HG12 VAL 45 HG12 VAL 45 -9.142 -13.448 -8.592 300 HG13 VAL 45 HG13 VAL 45 -10.549 -12.501 -8.105 301 HG21 VAL 45 HG21 VAL 45 -8.394 -12.573 -5.686 302 HG22 VAL 45 HG22 VAL 45 -8.208 -10.820 -5.644 303 HG23 VAL 45 HG23 VAL 45 -6.934 -11.825 -6.332 304 H GLU 46 HN GLU 46 -8.862 -9.863 -10.109 305 HA GLU 46 HA GLU 46 -10.253 -11.623 -11.813 306 HB2 GLU 46 HB2 GLU 46 -9.476 -8.719 -12.137 307 HB3 GLU 46 HB1 GLU 46 -10.511 -9.577 -13.278 308 HG2 GLU 46 HG2 GLU 46 -11.052 -9.235 -10.313 309 HG3 GLU 46 HG1 GLU 46 -11.870 -8.373 -11.616 310 H GLU 47 HN GLU 47 -7.185 -9.863 -12.277 311 HA GLU 47 HA GLU 47 -6.710 -10.680 -14.916 312 HB2 GLU 47 HB2 GLU 47 -5.438 -8.892 -13.799 313 HB3 GLU 47 HB1 GLU 47 -4.691 -10.087 -12.740 314 HG2 GLU 47 HG2 GLU 47 -3.706 -11.221 -14.685 315 HG3 GLU 47 HG1 GLU 47 -4.476 -10.059 -15.764 316 H MET 48 HN MET 48 -5.753 -12.183 -11.829 317 HA MET 48 HA MET 48 -4.301 -14.329 -12.981 318 HB2 MET 48 HB2 MET 48 -5.703 -14.056 -10.313 319 HB3 MET 48 HB1 MET 48 -4.686 -15.428 -10.751 320 HG2 MET 48 HG2 MET 48 -3.804 -12.527 -10.696 321 HG3 MET 48 HG1 MET 48 -3.394 -13.746 -9.491 322 HE1 MET 48 HE1 MET 48 -3.220 -12.760 -13.256 323 HE2 MET 48 HE2 MET 48 -1.473 -12.865 -13.454 324 HE3 MET 48 HE3 MET 48 -2.149 -11.812 -12.215 325 H ASN 49 HN ASN 49 -7.679 -13.912 -12.055 326 HA ASN 49 HA ASN 49 -8.517 -16.584 -12.520 327 HB2 ASN 49 HB2 ASN 49 -10.002 -13.951 -12.522 328 HB3 ASN 49 HB1 ASN 49 -10.804 -15.504 -12.750 329 HD21 ASN 49 HD21 ASN 49 -11.296 -13.787 -10.465 330 HD22 ASN 49 HD22 ASN 49 -10.750 -14.609 -9.082 331 H ALA 50 HN ALA 50 -8.317 -13.722 -14.558 332 HA ALA 50 HA ALA 50 -9.623 -14.771 -16.837 333 HB1 ALA 50 HB1 ALA 50 -9.073 -12.351 -16.465 334 HB2 ALA 50 HB2 ALA 50 -8.624 -12.952 -18.062 335 HB3 ALA 50 HB3 ALA 50 -7.388 -12.733 -16.822 336 H LYS 51 HN LYS 51 -6.229 -14.789 -15.825 337 HA LYS 51 HA LYS 51 -5.170 -15.958 -18.165 338 HB2 LYS 51 HB2 LYS 51 -4.215 -15.949 -15.299 339 HB3 LYS 51 HB1 LYS 51 -3.281 -16.645 -16.624 340 HG2 LYS 51 HG2 LYS 51 -3.240 -14.501 -17.781 341 HG3 LYS 51 HG1 LYS 51 -4.291 -13.786 -16.557 342 HD2 LYS 51 HD2 LYS 51 -2.018 -13.137 -16.046 343 HD3 LYS 51 HD1 LYS 51 -2.526 -14.321 -14.840 344 HE2 LYS 51 HE2 LYS 51 -1.380 -16.105 -16.070 345 HE3 LYS 51 HE1 LYS 51 -0.921 -14.962 -17.332 346 HZ1 LYS 51 HZ1 LYS 51 0.322 -15.461 -14.830 347 HZ2 LYS 51 HZ2 LYS 51 -0.105 -13.821 -14.964 348 HZ3 LYS 51 HZ3 LYS 51 0.883 -14.543 -16.142 349 H ALA 52 HN ALA 52 -6.458 -17.390 -15.175 350 HA ALA 52 HA ALA 52 -5.770 -20.063 -15.722 351 HB1 ALA 52 HB1 ALA 52 -6.491 -19.333 -13.507 352 HB2 ALA 52 HB2 ALA 52 -7.543 -20.622 -14.089 353 HB3 ALA 52 HB3 ALA 52 -8.093 -18.947 -14.135 354 H ALA 53 HN ALA 53 -8.563 -18.107 -16.627 355 HA ALA 53 HA ALA 53 -10.144 -20.194 -17.716 356 HB1 ALA 53 HB1 ALA 53 -10.858 -17.800 -17.138 357 HB2 ALA 53 HB2 ALA 53 -11.488 -18.476 -18.642 358 HB3 ALA 53 HB3 ALA 53 -10.144 -17.336 -18.683 359 H GLN 54 HN GLN 54 -7.618 -18.128 -19.003 360 HA GLN 54 HA GLN 54 -7.912 -19.000 -21.732 361 HB2 GLN 54 HB2 GLN 54 -5.607 -17.590 -20.360 362 HB3 GLN 54 HB1 GLN 54 -5.811 -17.776 -22.102 363 HG2 GLN 54 HG2 GLN 54 -7.669 -16.286 -20.227 364 HG3 GLN 54 HG1 GLN 54 -6.597 -15.566 -21.425 365 HE21 GLN 54 HE21 GLN 54 -9.768 -16.114 -21.002 366 HE22 GLN 54 HE22 GLN 54 -10.246 -16.447 -22.596 367 H LEU 55 HN LEU 55 -6.235 -20.111 -18.910 368 HA LEU 55 HA LEU 55 -4.216 -21.632 -20.220 369 HB2 LEU 55 HB2 LEU 55 -5.378 -21.725 -17.441 370 HB3 LEU 55 HB1 LEU 55 -4.083 -22.800 -17.969 371 HG LEU 55 HG LEU 55 -3.929 -19.789 -18.217 372 HD11 LEU 55 HD11 LEU 55 -3.080 -19.616 -16.103 373 HD12 LEU 55 HD12 LEU 55 -2.301 -21.197 -16.183 374 HD13 LEU 55 HD13 LEU 55 -4.024 -21.080 -15.823 375 HD21 LEU 55 HD21 LEU 55 -2.059 -20.262 -19.377 376 HD22 LEU 55 HD22 LEU 55 -2.366 -21.988 -19.180 377 HD23 LEU 55 HD23 LEU 55 -1.417 -21.118 -17.975 378 H LYS 56 HN LYS 56 -4.126 -23.666 -20.868 379 HA LYS 56 HA LYS 56 -6.632 -25.161 -21.130 380 HB2 LYS 56 HB2 LYS 56 -3.890 -25.804 -22.250 381 HB3 LYS 56 HB1 LYS 56 -5.420 -26.546 -22.708 382 HG2 LYS 56 HG2 LYS 56 -4.836 -23.591 -23.037 383 HG3 LYS 56 HG1 LYS 56 -4.606 -24.784 -24.318 384 HD2 LYS 56 HD2 LYS 56 -7.222 -24.228 -22.885 385 HD3 LYS 56 HD1 LYS 56 -6.813 -23.693 -24.517 386 HE2 LYS 56 HE2 LYS 56 -6.422 -26.132 -25.100 387 HE3 LYS 56 HE1 LYS 56 -7.123 -26.537 -23.536 388 HZ1 LYS 56 HZ1 LYS 56 -9.184 -25.920 -24.187 389 HZ2 LYS 56 HZ2 LYS 56 -8.576 -26.341 -25.716 390 HZ3 LYS 56 HZ3 LYS 56 -8.631 -24.710 -25.238 391 H ASP 57 HN ASP 57 -6.347 -27.632 -20.873 392 HA ASP 57 HA ASP 57 -5.733 -28.228 -18.188 393 HB2 ASP 57 HB2 ASP 57 -7.259 -29.550 -19.693 394 HB3 ASP 57 HB1 ASP 57 -5.822 -30.192 -20.489 395 H GLY 58 HN GLY 58 -3.990 -29.383 -17.261 396 HA2 GLY 58 HA2 GLY 58 -1.843 -30.305 -17.160 397 HA3 GLY 58 HA1 GLY 58 -1.655 -29.995 -18.883 398 H GLU 59 HN GLU 59 -2.828 -27.285 -17.237 399 HA GLU 59 HA GLU 59 -0.106 -26.198 -16.860 400 HB2 GLU 59 HB2 GLU 59 -2.413 -24.882 -18.301 401 HB3 GLU 59 HB1 GLU 59 -0.972 -24.018 -17.762 402 HG2 GLU 59 HG2 GLU 59 0.453 -25.432 -19.126 403 HG3 GLU 59 HG1 GLU 59 -0.919 -26.442 -19.576 404 H TRP 60 HN TRP 60 0.093 -24.540 -15.295 405 HA TRP 60 HA TRP 60 -2.269 -24.053 -13.613 406 HB2 TRP 60 HB2 TRP 60 0.431 -24.817 -12.486 407 HB3 TRP 60 HB1 TRP 60 -1.052 -24.514 -11.582 408 HD1 TRP 60 HD1 TRP 60 0.915 -27.275 -12.729 409 HE1 TRP 60 HE1 TRP 60 -0.476 -29.430 -12.989 410 HE3 TRP 60 HE3 TRP 60 -3.795 -25.306 -12.623 411 HZ2 TRP 60 HZ2 TRP 60 -3.221 -30.214 -13.137 412 HZ3 TRP 60 HZ3 TRP 60 -5.776 -26.777 -12.829 413 HH2 TRP 60 HH2 TRP 60 -5.497 -29.227 -13.086 414 H LEU 61 HN LEU 61 -2.216 -22.101 -12.475 415 HA LEU 61 HA LEU 61 -0.233 -20.169 -13.489 416 HB2 LEU 61 HB2 LEU 61 -2.619 -19.616 -13.846 417 HB3 LEU 61 HB1 LEU 61 -2.888 -19.687 -12.102 418 HG LEU 61 HG LEU 61 -1.222 -17.894 -11.773 419 HD11 LEU 61 HD11 LEU 61 0.293 -17.520 -13.397 420 HD12 LEU 61 HD12 LEU 61 -0.996 -16.893 -14.424 421 HD13 LEU 61 HD13 LEU 61 -0.574 -18.606 -14.485 422 HD21 LEU 61 HD21 LEU 61 -2.831 -16.587 -13.840 423 HD22 LEU 61 HD22 LEU 61 -2.846 -16.345 -12.093 424 HD23 LEU 61 HD23 LEU 61 -3.796 -17.646 -12.811 425 H ASN 62 HN ASN 62 1.143 -19.102 -12.099 426 HA ASN 62 HA ASN 62 1.042 -19.986 -9.291 427 HB2 ASN 62 HB2 ASN 62 3.085 -20.489 -10.730 428 HB3 ASN 62 HB1 ASN 62 3.405 -18.758 -10.710 429 HD21 ASN 62 HD21 ASN 62 1.912 -19.862 -7.794 430 HD22 ASN 62 HD22 ASN 62 3.320 -19.939 -6.852 431 H VAL 63 HN VAL 63 0.667 -18.546 -7.720 432 HA VAL 63 HA VAL 63 0.708 -15.673 -8.431 433 HB VAL 63 HB VAL 63 -1.015 -17.124 -6.404 434 HG11 VAL 63 HG11 VAL 63 -1.661 -15.103 -5.594 435 HG12 VAL 63 HG12 VAL 63 -1.657 -14.358 -7.193 436 HG13 VAL 63 HG13 VAL 63 -0.151 -14.517 -6.291 437 HG21 VAL 63 HG21 VAL 63 -1.301 -16.582 -9.235 438 HG22 VAL 63 HG22 VAL 63 -2.550 -15.736 -8.323 439 HG23 VAL 63 HG23 VAL 63 -2.376 -17.483 -8.167 440 H SER 64 HN SER 64 2.051 -14.382 -7.289 441 HA SER 64 HA SER 64 2.854 -15.100 -4.585 442 HB2 SER 64 HB2 SER 64 5.231 -15.057 -5.066 443 HB3 SER 64 HB1 SER 64 4.470 -16.283 -6.077 444 HG SER 64 HG SER 64 5.784 -14.012 -6.778 445 H HIS 65 HN HIS 65 4.404 -13.317 -3.743 446 HA HIS 65 HA HIS 65 3.997 -10.731 -5.058 447 HB2 HIS 65 HB2 HIS 65 2.984 -9.697 -3.139 448 HB3 HIS 65 HB1 HIS 65 2.037 -11.135 -3.522 449 HD1 HIS 65 HD1 HIS 65 2.612 -13.321 -2.040 450 HD2 HIS 65 HD2 HIS 65 4.079 -9.703 -0.579 451 HE1 HIS 65 HE1 HIS 65 3.227 -13.722 0.382 452 H GLU 66 HN GLU 66 5.273 -8.994 -3.995 453 HA GLU 66 HA GLU 66 7.731 -10.115 -2.829 454 HB2 GLU 66 HB2 GLU 66 8.050 -8.897 -4.924 455 HB3 GLU 66 HB1 GLU 66 7.244 -7.485 -4.242 456 HG2 GLU 66 HG2 GLU 66 9.670 -7.200 -4.096 457 HG3 GLU 66 HG1 GLU 66 8.990 -7.366 -2.479 458 H ALA 67 HN ALA 67 8.301 -9.607 -0.795 459 HA ALA 67 HA ALA 67 7.580 -7.155 0.483 460 HB1 ALA 67 HB1 ALA 67 5.808 -9.472 0.795 461 HB2 ALA 67 HB2 ALA 67 5.524 -7.774 1.180 462 HB3 ALA 67 HB3 ALA 67 6.378 -8.806 2.326 Start of MODEL 16 1 H MET 1 HT1 MET 1 2.336 -2.417 0.111 2 HA MET 1 HA MET 1 3.934 -1.108 -1.789 3 HB2 MET 1 HB2 MET 1 6.100 -1.207 -0.664 4 HG2 MET 1 HG2 MET 1 4.481 -1.951 1.794 5 HE1 MET 1 HE1 MET 1 8.490 -2.890 1.424 6 HE2 MET 1 HE2 MET 1 8.877 -1.223 1.010 7 HE3 MET 1 HE3 MET 1 7.683 -2.104 0.060 8 H THR 2 HN THR 2 2.237 -3.354 -1.526 9 HA THR 2 HA THR 2 4.159 -5.597 -1.697 10 HB THR 2 HB THR 2 1.204 -5.667 -1.034 11 HG1 THR 2 HG1 THR 2 1.929 -6.185 1.006 12 HG21 THR 2 HG21 THR 2 1.285 -7.853 -1.544 13 HG22 THR 2 HG22 THR 2 2.623 -8.073 -0.417 14 HG23 THR 2 HG23 THR 2 2.947 -7.656 -2.099 15 H THR 3 HN THR 3 4.356 -6.616 -3.582 16 HA THR 3 HA THR 3 2.357 -6.041 -5.693 17 HB THR 3 HB THR 3 4.142 -6.000 -7.298 18 HG1 THR 3 HG1 THR 3 5.313 -7.603 -5.709 19 HG21 THR 3 HG21 THR 3 5.166 -4.000 -6.684 20 HG22 THR 3 HG22 THR 3 5.377 -4.514 -5.010 21 HG23 THR 3 HG23 THR 3 3.783 -4.032 -5.590 22 H PHE 4 HN PHE 4 1.815 -7.739 -7.090 23 HA PHE 4 HA PHE 4 2.660 -10.405 -6.146 24 HB2 PHE 4 HB2 PHE 4 0.096 -9.525 -7.495 25 HB3 PHE 4 HB1 PHE 4 0.496 -11.183 -7.057 26 HD1 PHE 4 HD1 PHE 4 0.722 -11.845 -4.674 27 HD2 PHE 4 HD2 PHE 4 -0.565 -7.910 -5.823 28 HE1 PHE 4 HE1 PHE 4 -0.116 -11.446 -2.373 29 HE2 PHE 4 HE2 PHE 4 -1.400 -7.512 -3.524 30 HZ PHE 4 HZ PHE 4 -1.178 -9.279 -1.800 31 H THR 5 HN THR 5 3.510 -11.822 -7.586 32 HA THR 5 HA THR 5 3.574 -11.010 -10.430 33 HB THR 5 HB THR 5 5.801 -12.306 -8.838 34 HG1 THR 5 HG1 THR 5 5.129 -9.845 -8.930 35 HG21 THR 5 HG21 THR 5 5.274 -11.944 -11.728 36 HG22 THR 5 HG22 THR 5 6.298 -13.123 -10.907 37 HG23 THR 5 HG23 THR 5 6.891 -11.486 -11.190 38 H SER 6 HN SER 6 2.939 -12.531 -11.856 39 HA SER 6 HA SER 6 2.757 -15.324 -10.908 40 HB2 SER 6 HB2 SER 6 0.748 -13.820 -12.600 41 HB3 SER 6 HB1 SER 6 0.677 -15.542 -12.236 42 HG SER 6 HG SER 6 -0.106 -13.446 -10.745 43 H ILE 7 HN ILE 7 3.058 -16.946 -12.501 44 HA ILE 7 HA ILE 7 3.953 -16.072 -15.155 45 HB ILE 7 HB ILE 7 5.576 -18.148 -13.747 46 HG12 ILE 7 HG12 ILE 7 7.056 -15.962 -13.213 47 HG13 ILE 7 HG11 ILE 7 5.449 -15.253 -13.052 48 HG21 ILE 7 HG21 ILE 7 6.945 -16.096 -15.280 49 HG22 ILE 7 HG22 ILE 7 5.626 -16.805 -16.211 50 HG23 ILE 7 HG23 ILE 7 6.894 -17.838 -15.549 51 HD11 ILE 7 HD11 ILE 7 6.680 -16.501 -11.010 52 HD12 ILE 7 HD12 ILE 7 5.883 -17.892 -11.745 53 HD13 ILE 7 HD13 ILE 7 4.928 -16.513 -11.203 54 H VAL 8 HN VAL 8 3.940 -17.861 -16.722 55 HA VAL 8 HA VAL 8 1.858 -19.792 -16.053 56 HB VAL 8 HB VAL 8 3.270 -19.215 -18.670 57 HG11 VAL 8 HG11 VAL 8 0.838 -20.921 -18.040 58 HG12 VAL 8 HG12 VAL 8 2.419 -21.529 -18.529 59 HG13 VAL 8 HG13 VAL 8 1.455 -20.573 -19.655 60 HG21 VAL 8 HG21 VAL 8 0.494 -18.607 -18.708 61 HG22 VAL 8 HG22 VAL 8 1.843 -17.477 -18.812 62 HG23 VAL 8 HG23 VAL 8 1.155 -17.885 -17.240 63 H THR 9 HN THR 9 2.591 -21.470 -14.950 64 HA THR 9 HA THR 9 4.525 -23.256 -16.190 65 HB THR 9 HB THR 9 5.075 -21.686 -13.732 66 HG1 THR 9 HG1 THR 9 7.144 -22.956 -14.834 67 HG21 THR 9 HG21 THR 9 6.445 -23.584 -12.814 68 HG22 THR 9 HG22 THR 9 5.638 -24.650 -13.964 69 HG23 THR 9 HG23 THR 9 4.703 -23.838 -12.708 70 H THR 10 HN THR 10 4.080 -25.445 -15.624 71 HA THR 10 HA THR 10 1.958 -25.702 -13.589 72 HB THR 10 HB THR 10 0.672 -26.298 -15.347 73 HG1 THR 10 HG1 THR 10 0.647 -28.481 -15.541 74 HG21 THR 10 HG21 THR 10 1.769 -27.363 -17.440 75 HG22 THR 10 HG22 THR 10 3.295 -26.857 -16.715 76 HG23 THR 10 HG23 THR 10 2.073 -25.654 -17.127 77 H ASN 11 HN ASN 11 3.292 -26.275 -11.953 78 HA ASN 11 HA ASN 11 4.293 -29.039 -12.087 79 HB2 ASN 11 HB2 ASN 11 6.047 -27.055 -12.465 80 HB3 ASN 11 HB1 ASN 11 6.023 -27.066 -10.701 81 HD21 ASN 11 HD21 ASN 11 6.930 -28.885 -13.555 82 HD22 ASN 11 HD22 ASN 11 7.745 -30.131 -12.736 83 HA PRO 12 HA PRO 12 2.178 -27.902 -8.082 84 HB2 PRO 12 HB2 PRO 12 -0.022 -29.485 -8.366 85 HB3 PRO 12 HB1 PRO 12 0.039 -27.818 -8.972 86 HG2 PRO 12 HG2 PRO 12 0.361 -30.384 -10.450 87 HG3 PRO 12 HG1 PRO 12 -0.474 -28.898 -10.935 88 HD2 PRO 12 HD2 PRO 12 2.046 -29.572 -11.816 89 HD3 PRO 12 HD1 PRO 12 1.463 -27.899 -11.694 90 H ASP 13 HN ASP 13 3.166 -29.048 -6.498 91 HA ASP 13 HA ASP 13 3.146 -31.990 -6.681 92 HB2 ASP 13 HB2 ASP 13 5.421 -32.070 -5.822 93 HB3 ASP 13 HB1 ASP 13 5.385 -31.117 -7.305 94 H PHE 14 HN PHE 14 3.614 -33.006 -4.532 95 HA PHE 14 HA PHE 14 2.222 -31.489 -2.423 96 HB2 PHE 14 HB2 PHE 14 2.653 -34.468 -2.754 97 HB3 PHE 14 HB1 PHE 14 1.790 -33.710 -1.416 98 HD1 PHE 14 HD1 PHE 14 1.669 -34.634 -4.955 99 HD2 PHE 14 HD2 PHE 14 -0.353 -32.528 -1.805 100 HE1 PHE 14 HE1 PHE 14 -0.400 -34.577 -6.322 101 HE2 PHE 14 HE2 PHE 14 -2.422 -32.470 -3.172 102 HZ PHE 14 HZ PHE 14 -2.445 -33.495 -5.430 103 H GLY 15 HN GLY 15 5.201 -31.525 -3.228 104 HA2 GLY 15 HA2 GLY 15 6.317 -32.371 -0.625 105 HA3 GLY 15 HA1 GLY 15 7.239 -32.241 -2.120 106 H GLY 16 HN GLY 16 4.921 -29.776 -1.488 107 HA2 GLY 16 HA2 GLY 16 6.653 -28.001 -0.034 108 HA3 GLY 16 HA1 GLY 16 6.593 -27.615 -1.752 109 H PHE 17 HN PHE 17 5.705 -25.589 -0.529 110 HA PHE 17 HA PHE 17 2.766 -25.858 -0.408 111 HB2 PHE 17 HB2 PHE 17 2.824 -23.921 1.176 112 HB3 PHE 17 HB1 PHE 17 3.592 -25.375 1.815 113 HD1 PHE 17 HD1 PHE 17 4.136 -21.959 0.571 114 HD2 PHE 17 HD2 PHE 17 6.038 -25.544 1.980 115 HE1 PHE 17 HE1 PHE 17 6.262 -20.716 0.874 116 HE2 PHE 17 HE2 PHE 17 8.161 -24.300 2.284 117 HZ PHE 17 HZ PHE 17 8.273 -21.886 1.731 118 H GLU 18 HN GLU 18 1.979 -25.040 -2.230 119 HA GLU 18 HA GLU 18 2.578 -22.305 -2.956 120 HB2 GLU 18 HB2 GLU 18 3.517 -24.619 -4.590 121 HB3 GLU 18 HB1 GLU 18 2.814 -23.249 -5.447 122 HG2 GLU 18 HG2 GLU 18 5.076 -22.656 -5.331 123 HG3 GLU 18 HG1 GLU 18 4.392 -21.813 -3.942 124 H PHE 19 HN PHE 19 0.854 -21.382 -4.157 125 HA PHE 19 HA PHE 19 -1.489 -23.157 -4.399 126 HB2 PHE 19 HB2 PHE 19 -1.746 -21.253 -2.845 127 HB3 PHE 19 HB1 PHE 19 -1.376 -20.140 -4.161 128 HD1 PHE 19 HD1 PHE 19 -3.787 -22.694 -2.965 129 HD2 PHE 19 HD2 PHE 19 -3.011 -19.583 -5.822 130 HE1 PHE 19 HE1 PHE 19 -6.159 -22.763 -3.683 131 HE2 PHE 19 HE2 PHE 19 -5.385 -19.650 -6.538 132 HZ PHE 19 HZ PHE 19 -6.958 -21.240 -5.469 133 H TYR 20 HN TYR 20 -2.363 -23.510 -6.351 134 HA TYR 20 HA TYR 20 -1.506 -21.788 -8.602 135 HB2 TYR 20 HB2 TYR 20 -1.779 -24.803 -8.612 136 HB3 TYR 20 HB1 TYR 20 -1.429 -23.805 -10.023 137 HD1 TYR 20 HD1 TYR 20 0.734 -22.692 -10.283 138 HD2 TYR 20 HD2 TYR 20 -0.114 -25.146 -6.861 139 HE1 TYR 20 HE1 TYR 20 3.149 -22.744 -9.720 140 HE2 TYR 20 HE2 TYR 20 2.300 -25.196 -6.299 141 HH TYR 20 HH TYR 20 4.716 -24.099 -8.479 142 H VAL 21 HN VAL 21 -3.102 -21.207 -10.031 143 HA VAL 21 HA VAL 21 -5.830 -21.993 -9.324 144 HB VAL 21 HB VAL 21 -4.783 -19.935 -11.292 145 HG11 VAL 21 HG11 VAL 21 -7.112 -19.205 -11.458 146 HG12 VAL 21 HG12 VAL 21 -7.612 -20.467 -10.333 147 HG13 VAL 21 HG13 VAL 21 -6.990 -20.901 -11.925 148 HG21 VAL 21 HG21 VAL 21 -6.114 -19.642 -8.577 149 HG22 VAL 21 HG22 VAL 21 -5.611 -18.314 -9.626 150 HG23 VAL 21 HG23 VAL 21 -4.400 -19.378 -8.905 151 H GLU 22 HN GLU 22 -6.726 -23.680 -10.303 152 HA GLU 22 HA GLU 22 -5.588 -24.920 -12.613 153 HB2 GLU 22 HB2 GLU 22 -6.824 -26.176 -10.867 154 HB3 GLU 22 HB1 GLU 22 -8.308 -25.352 -11.352 155 HG2 GLU 22 HG2 GLU 22 -8.117 -26.288 -13.611 156 HG3 GLU 22 HG1 GLU 22 -6.602 -27.075 -13.171 157 H ALA 23 HN ALA 23 -6.095 -24.677 -14.740 158 HA ALA 23 HA ALA 23 -7.222 -22.428 -15.783 159 HB1 ALA 23 HB1 ALA 23 -6.747 -25.152 -16.786 160 HB2 ALA 23 HB2 ALA 23 -6.411 -23.596 -17.547 161 HB3 ALA 23 HB3 ALA 23 -8.031 -24.289 -17.634 162 H GLY 24 HN GLY 24 -9.181 -21.546 -15.804 163 HA2 GLY 24 HA2 GLY 24 -11.505 -21.398 -15.886 164 HA3 GLY 24 HA1 GLY 24 -11.590 -23.158 -15.877 165 H GLN 25 HN GLN 25 -9.541 -21.979 -13.461 166 HA GLN 25 HA GLN 25 -11.632 -22.417 -11.421 167 HB2 GLN 25 HB2 GLN 25 -9.728 -23.970 -11.329 168 HB3 GLN 25 HB1 GLN 25 -8.627 -22.601 -11.157 169 HG2 GLN 25 HG2 GLN 25 -9.738 -21.933 -9.080 170 HG3 GLN 25 HG1 GLN 25 -10.897 -23.251 -9.257 171 HE21 GLN 25 HE21 GLN 25 -10.360 -25.043 -8.046 172 HE22 GLN 25 HE22 GLN 25 -8.784 -25.510 -7.637 173 H GLN 26 HN GLN 26 -12.103 -20.865 -9.952 174 HA GLN 26 HA GLN 26 -11.043 -18.206 -10.443 175 HB2 GLN 26 HB2 GLN 26 -13.452 -18.545 -10.018 176 HB3 GLN 26 HB1 GLN 26 -13.069 -19.131 -8.399 177 HG2 GLN 26 HG2 GLN 26 -12.043 -16.984 -7.831 178 HG3 GLN 26 HG1 GLN 26 -12.336 -16.391 -9.465 179 HE21 GLN 26 HE21 GLN 26 -13.487 -14.816 -7.605 180 HE22 GLN 26 HE22 GLN 26 -15.155 -15.104 -7.469 181 H PHE 27 HN PHE 27 -9.345 -17.425 -9.473 182 HA PHE 27 HA PHE 27 -7.883 -18.705 -7.447 183 HB2 PHE 27 HB2 PHE 27 -6.845 -17.093 -8.931 184 HB3 PHE 27 HB1 PHE 27 -7.881 -15.806 -8.314 185 HD1 PHE 27 HD1 PHE 27 -7.296 -14.601 -6.372 186 HD2 PHE 27 HD2 PHE 27 -5.269 -18.269 -7.298 187 HE1 PHE 27 HE1 PHE 27 -5.673 -14.160 -4.551 188 HE2 PHE 27 HE2 PHE 27 -3.644 -17.831 -5.477 189 HZ PHE 27 HZ PHE 27 -3.846 -15.774 -4.105 190 H ASP 28 HN ASP 28 -8.009 -18.699 -5.279 191 HA ASP 28 HA ASP 28 -10.194 -17.195 -4.034 192 HB2 ASP 28 HB2 ASP 28 -9.988 -19.601 -3.542 193 HB3 ASP 28 HB1 ASP 28 -8.373 -19.326 -2.887 194 H ASP 29 HN ASP 29 -9.513 -15.120 -3.740 195 HA ASP 29 HA ASP 29 -6.860 -14.469 -2.845 196 HB2 ASP 29 HB2 ASP 29 -7.703 -12.171 -2.736 197 HB3 ASP 29 HB1 ASP 29 -8.167 -12.935 -4.254 198 H SER 30 HN SER 30 -9.786 -15.383 -1.289 199 HA SER 30 HA SER 30 -9.467 -14.012 1.172 200 HB2 SER 30 HB2 SER 30 -10.867 -16.609 0.511 201 HB3 SER 30 HB1 SER 30 -10.977 -15.792 2.068 202 HG SER 30 HG SER 30 -11.926 -15.002 -0.461 203 H ALA 31 HN ALA 31 -8.414 -17.220 0.062 204 HA ALA 31 HA ALA 31 -7.299 -18.049 2.519 205 HB1 ALA 31 HB1 ALA 31 -6.061 -19.029 0.008 206 HB2 ALA 31 HB2 ALA 31 -7.791 -19.317 0.203 207 HB3 ALA 31 HB3 ALA 31 -6.654 -19.931 1.405 208 H TYR 32 HN TYR 32 -5.959 -16.293 -0.220 209 HA TYR 32 HA TYR 32 -3.254 -16.362 0.535 210 HB2 TYR 32 HB2 TYR 32 -4.929 -14.601 -1.186 211 HB3 TYR 32 HB1 TYR 32 -3.349 -13.995 -0.689 212 HD1 TYR 32 HD1 TYR 32 -4.815 -17.271 -1.818 213 HD2 TYR 32 HD2 TYR 32 -1.608 -14.434 -2.152 214 HE1 TYR 32 HE1 TYR 32 -3.719 -18.709 -3.517 215 HE2 TYR 32 HE2 TYR 32 -0.513 -15.868 -3.851 216 HH TYR 32 HH TYR 32 -0.653 -18.568 -4.340 217 H GLU 33 HN GLU 33 -5.915 -14.272 1.524 218 HA GLU 33 HA GLU 33 -4.387 -12.358 2.931 219 HB2 GLU 33 HB2 GLU 33 -7.218 -13.340 3.356 220 HB3 GLU 33 HB1 GLU 33 -6.522 -11.938 4.173 221 HG2 GLU 33 HG2 GLU 33 -6.069 -10.888 1.994 222 HG3 GLU 33 HG1 GLU 33 -6.761 -12.290 1.176 223 H GLU 34 HN GLU 34 -5.859 -15.426 3.897 224 HA GLU 34 HA GLU 34 -4.817 -15.224 6.602 225 HB2 GLU 34 HB2 GLU 34 -5.907 -17.373 6.949 226 HB3 GLU 34 HB1 GLU 34 -7.020 -16.282 6.125 227 HG2 GLU 34 HG2 GLU 34 -6.383 -17.298 3.957 228 HG3 GLU 34 HG1 GLU 34 -5.320 -18.417 4.807 229 H ALA 35 HN ALA 35 -3.853 -16.450 3.549 230 HA ALA 35 HA ALA 35 -1.988 -18.407 4.585 231 HB1 ALA 35 HB1 ALA 35 -2.239 -17.301 1.783 232 HB2 ALA 35 HB2 ALA 35 -3.143 -18.684 2.397 233 HB3 ALA 35 HB3 ALA 35 -1.387 -18.767 2.267 234 H TYR 36 HN TYR 36 -1.871 -15.067 3.423 235 HA TYR 36 HA TYR 36 1.008 -15.031 4.092 236 HB2 TYR 36 HB2 TYR 36 -0.447 -13.409 1.988 237 HB3 TYR 36 HB1 TYR 36 1.264 -13.267 2.392 238 HD1 TYR 36 HD1 TYR 36 -1.287 -15.280 0.708 239 HD2 TYR 36 HD2 TYR 36 2.833 -15.123 1.911 240 HE1 TYR 36 HE1 TYR 36 -0.765 -17.152 -0.833 241 HE2 TYR 36 HE2 TYR 36 3.355 -16.994 0.369 242 HH TYR 36 HH TYR 36 2.441 -18.028 -1.642 243 H GLY 37 HN GLY 37 -1.999 -14.029 5.023 244 HA2 GLY 37 HA2 GLY 37 -2.727 -12.484 6.575 245 HA3 GLY 37 HA1 GLY 37 -1.036 -12.248 6.996 246 H VAL 38 HN VAL 38 -2.242 -11.702 3.724 247 HA VAL 38 HA VAL 38 -2.052 -8.793 4.189 248 HB VAL 38 HB VAL 38 -0.903 -8.571 2.015 249 HG11 VAL 38 HG11 VAL 38 0.226 -9.102 4.367 250 HG12 VAL 38 HG12 VAL 38 1.194 -9.000 2.897 251 HG13 VAL 38 HG13 VAL 38 0.722 -10.575 3.532 252 HG21 VAL 38 HG21 VAL 38 0.147 -10.968 1.361 253 HG22 VAL 38 HG22 VAL 38 -1.363 -10.378 0.666 254 HG23 VAL 38 HG23 VAL 38 -1.398 -11.510 2.017 255 H SER 39 HN SER 39 -3.142 -7.506 2.579 256 HA SER 39 HA SER 39 -5.662 -8.726 1.774 257 HB2 SER 39 HB2 SER 39 -4.659 -5.877 1.605 258 HB3 SER 39 HB1 SER 39 -6.272 -6.396 1.120 259 HG SER 39 HG SER 39 -5.084 -6.627 3.692 260 H VAL 40 HN VAL 40 -6.076 -9.501 -0.187 261 HA VAL 40 HA VAL 40 -4.212 -8.884 -2.383 262 HB VAL 40 HB VAL 40 -6.265 -11.094 -2.115 263 HG11 VAL 40 HG11 VAL 40 -5.531 -10.162 -4.452 264 HG12 VAL 40 HG12 VAL 40 -5.525 -11.904 -4.181 265 HG13 VAL 40 HG13 VAL 40 -4.015 -10.995 -4.107 266 HG21 VAL 40 HG21 VAL 40 -3.246 -11.305 -2.052 267 HG22 VAL 40 HG22 VAL 40 -4.430 -12.544 -1.626 268 HG23 VAL 40 HG23 VAL 40 -4.211 -11.138 -0.584 269 HA PRO 41 HA PRO 41 -7.453 -6.110 -3.828 270 HB2 PRO 41 HB2 PRO 41 -5.629 -6.068 -6.188 271 HB3 PRO 41 HB1 PRO 41 -6.300 -4.714 -5.256 272 HG2 PRO 41 HG2 PRO 41 -3.762 -5.394 -4.988 273 HG3 PRO 41 HG1 PRO 41 -4.724 -4.917 -3.577 274 HD2 PRO 41 HD2 PRO 41 -3.904 -7.676 -4.449 275 HD3 PRO 41 HD1 PRO 41 -3.981 -6.990 -2.807 276 H SER 42 HN SER 42 -9.275 -6.580 -4.942 277 HA SER 42 HA SER 42 -9.712 -9.043 -6.184 278 HB2 SER 42 HB2 SER 42 -11.247 -6.449 -6.380 279 HB3 SER 42 HB1 SER 42 -11.828 -7.988 -7.007 280 HG SER 42 HG SER 42 -11.672 -7.065 -4.427 281 H ALA 43 HN ALA 43 -8.853 -5.903 -7.589 282 HA ALA 43 HA ALA 43 -9.338 -6.524 -10.284 283 HB1 ALA 43 HB1 ALA 43 -8.047 -4.630 -10.816 284 HB2 ALA 43 HB2 ALA 43 -7.017 -4.822 -9.397 285 HB3 ALA 43 HB3 ALA 43 -8.681 -4.266 -9.212 286 H VAL 44 HN VAL 44 -6.482 -7.079 -8.255 287 HA VAL 44 HA VAL 44 -4.808 -8.108 -10.299 288 HB VAL 44 HB VAL 44 -4.845 -8.554 -7.306 289 HG11 VAL 44 HG11 VAL 44 -2.977 -9.546 -9.460 290 HG12 VAL 44 HG12 VAL 44 -3.711 -10.456 -8.137 291 HG13 VAL 44 HG13 VAL 44 -2.418 -9.302 -7.806 292 HG21 VAL 44 HG21 VAL 44 -2.672 -7.110 -8.731 293 HG22 VAL 44 HG22 VAL 44 -3.427 -6.756 -7.177 294 HG23 VAL 44 HG23 VAL 44 -4.236 -6.299 -8.676 295 H VAL 45 HN VAL 45 -7.083 -9.593 -8.054 296 HA VAL 45 HA VAL 45 -6.607 -12.297 -8.668 297 HB VAL 45 HB VAL 45 -9.066 -10.865 -7.648 298 HG11 VAL 45 HG11 VAL 45 -8.567 -13.716 -8.352 299 HG12 VAL 45 HG12 VAL 45 -10.075 -12.803 -8.363 300 HG13 VAL 45 HG13 VAL 45 -9.419 -13.402 -6.841 301 HG21 VAL 45 HG21 VAL 45 -8.252 -11.319 -5.532 302 HG22 VAL 45 HG22 VAL 45 -6.725 -11.147 -6.396 303 HG23 VAL 45 HG23 VAL 45 -7.373 -12.752 -6.065 304 H GLU 46 HN GLU 46 -8.833 -9.925 -10.158 305 HA GLU 46 HA GLU 46 -10.204 -11.775 -11.789 306 HB2 GLU 46 HB2 GLU 46 -9.635 -8.825 -12.128 307 HB3 GLU 46 HB1 GLU 46 -10.665 -9.744 -13.228 308 HG2 GLU 46 HG2 GLU 46 -12.176 -10.323 -11.425 309 HG3 GLU 46 HG1 GLU 46 -11.099 -9.598 -10.232 310 H GLU 47 HN GLU 47 -7.317 -9.767 -12.440 311 HA GLU 47 HA GLU 47 -6.917 -10.562 -15.089 312 HB2 GLU 47 HB2 GLU 47 -5.741 -8.672 -14.043 313 HB3 GLU 47 HB1 GLU 47 -4.835 -9.796 -13.030 314 HG2 GLU 47 HG2 GLU 47 -3.869 -10.846 -15.032 315 HG3 GLU 47 HG1 GLU 47 -4.795 -9.755 -16.061 316 H MET 48 HN MET 48 -5.629 -11.976 -12.078 317 HA MET 48 HA MET 48 -4.127 -14.000 -13.411 318 HB2 MET 48 HB2 MET 48 -3.889 -15.023 -11.222 319 HB3 MET 48 HB1 MET 48 -3.696 -13.280 -11.066 320 HG2 MET 48 HG2 MET 48 -6.068 -13.097 -10.382 321 HG3 MET 48 HG1 MET 48 -6.210 -14.854 -10.459 322 HE1 MET 48 HE1 MET 48 -5.079 -16.516 -8.922 323 HE2 MET 48 HE2 MET 48 -3.751 -16.129 -7.830 324 HE3 MET 48 HE3 MET 48 -3.546 -15.914 -9.566 325 H ASN 49 HN ASN 49 -7.399 -13.824 -12.102 326 HA ASN 49 HA ASN 49 -8.067 -16.560 -12.473 327 HB2 ASN 49 HB2 ASN 49 -9.743 -14.056 -12.278 328 HB3 ASN 49 HB1 ASN 49 -10.447 -15.664 -12.452 329 HD21 ASN 49 HD21 ASN 49 -10.866 -14.078 -10.086 330 HD22 ASN 49 HD22 ASN 49 -10.093 -14.858 -8.794 331 H ALA 50 HN ALA 50 -8.303 -13.696 -14.519 332 HA ALA 50 HA ALA 50 -9.792 -14.838 -16.627 333 HB1 ALA 50 HB1 ALA 50 -7.751 -12.604 -16.625 334 HB2 ALA 50 HB2 ALA 50 -9.505 -12.446 -16.529 335 HB3 ALA 50 HB3 ALA 50 -8.752 -13.021 -18.017 336 H LYS 51 HN LYS 51 -6.302 -14.644 -16.033 337 HA LYS 51 HA LYS 51 -5.452 -15.799 -18.453 338 HB2 LYS 51 HB2 LYS 51 -4.201 -15.769 -15.704 339 HB3 LYS 51 HB1 LYS 51 -3.387 -16.419 -17.127 340 HG2 LYS 51 HG2 LYS 51 -3.738 -14.211 -18.264 341 HG3 LYS 51 HG1 LYS 51 -4.379 -13.580 -16.746 342 HD2 LYS 51 HD2 LYS 51 -1.635 -14.836 -17.004 343 HD3 LYS 51 HD1 LYS 51 -1.925 -13.099 -17.118 344 HE2 LYS 51 HE2 LYS 51 -2.958 -13.145 -14.860 345 HE3 LYS 51 HE1 LYS 51 -2.594 -14.866 -14.744 346 HZ1 LYS 51 HZ1 LYS 51 -0.296 -13.386 -15.512 347 HZ2 LYS 51 HZ2 LYS 51 -0.514 -14.416 -14.178 348 HZ3 LYS 51 HZ3 LYS 51 -0.938 -12.775 -14.067 349 H ALA 52 HN ALA 52 -6.333 -17.271 -15.339 350 HA ALA 52 HA ALA 52 -5.642 -19.922 -15.967 351 HB1 ALA 52 HB1 ALA 52 -7.973 -19.819 -14.284 352 HB2 ALA 52 HB2 ALA 52 -6.842 -18.551 -13.812 353 HB3 ALA 52 HB3 ALA 52 -6.313 -20.232 -13.854 354 H ALA 53 HN ALA 53 -8.564 -18.043 -16.579 355 HA ALA 53 HA ALA 53 -10.240 -20.151 -17.403 356 HB1 ALA 53 HB1 ALA 53 -11.096 -18.026 -18.894 357 HB2 ALA 53 HB2 ALA 53 -10.221 -17.214 -17.595 358 HB3 ALA 53 HB3 ALA 53 -11.547 -18.312 -17.214 359 H GLN 54 HN GLN 54 -7.862 -18.202 -19.129 360 HA GLN 54 HA GLN 54 -8.511 -19.389 -21.695 361 HB2 GLN 54 HB2 GLN 54 -6.239 -17.577 -20.849 362 HB3 GLN 54 HB1 GLN 54 -6.590 -18.055 -22.509 363 HG2 GLN 54 HG2 GLN 54 -8.818 -17.028 -22.350 364 HG3 GLN 54 HG1 GLN 54 -8.498 -16.572 -20.679 365 HE21 GLN 54 HE21 GLN 54 -5.540 -16.200 -21.986 366 HE22 GLN 54 HE22 GLN 54 -5.637 -14.592 -22.526 367 H LEU 55 HN LEU 55 -6.620 -20.233 -19.007 368 HA LEU 55 HA LEU 55 -4.504 -21.607 -20.350 369 HB2 LEU 55 HB2 LEU 55 -5.577 -21.716 -17.536 370 HB3 LEU 55 HB1 LEU 55 -4.251 -22.744 -18.076 371 HG LEU 55 HG LEU 55 -4.236 -19.736 -18.397 372 HD11 LEU 55 HD11 LEU 55 -2.381 -20.641 -16.422 373 HD12 LEU 55 HD12 LEU 55 -3.973 -21.270 -15.997 374 HD13 LEU 55 HD13 LEU 55 -3.740 -19.534 -16.212 375 HD21 LEU 55 HD21 LEU 55 -2.746 -21.501 -19.718 376 HD22 LEU 55 HD22 LEU 55 -1.817 -21.488 -18.218 377 HD23 LEU 55 HD23 LEU 55 -2.051 -19.993 -19.124 378 H LYS 56 HN LYS 56 -4.296 -23.683 -20.949 379 HA LYS 56 HA LYS 56 -6.736 -25.263 -21.195 380 HB2 LYS 56 HB2 LYS 56 -3.931 -25.679 -22.261 381 HB3 LYS 56 HB1 LYS 56 -5.293 -26.752 -22.586 382 HG2 LYS 56 HG2 LYS 56 -6.533 -24.874 -23.602 383 HG3 LYS 56 HG1 LYS 56 -5.168 -23.801 -23.282 384 HD2 LYS 56 HD2 LYS 56 -3.726 -25.208 -24.709 385 HD3 LYS 56 HD1 LYS 56 -5.092 -26.276 -25.033 386 HE2 LYS 56 HE2 LYS 56 -6.327 -24.402 -26.049 387 HE3 LYS 56 HE1 LYS 56 -4.969 -23.326 -25.721 388 HZ1 LYS 56 HZ1 LYS 56 -5.327 -25.165 -27.858 389 HZ2 LYS 56 HZ2 LYS 56 -3.887 -25.493 -27.016 390 HZ3 LYS 56 HZ3 LYS 56 -4.159 -23.949 -27.672 391 H ASP 57 HN ASP 57 -6.327 -27.756 -20.882 392 HA ASP 57 HA ASP 57 -5.833 -28.166 -18.116 393 HB2 ASP 57 HB2 ASP 57 -6.183 -30.520 -18.595 394 HB3 ASP 57 HB1 ASP 57 -7.364 -29.569 -19.495 395 H GLY 58 HN GLY 58 -4.170 -29.479 -17.150 396 HA2 GLY 58 HA2 GLY 58 -2.027 -30.338 -16.920 397 HA3 GLY 58 HA1 GLY 58 -1.807 -30.163 -18.659 398 H GLU 59 HN GLU 59 -2.964 -27.354 -17.118 399 HA GLU 59 HA GLU 59 -0.233 -26.242 -16.934 400 HB2 GLU 59 HB2 GLU 59 -2.657 -25.006 -18.245 401 HB3 GLU 59 HB1 GLU 59 -1.209 -24.089 -17.816 402 HG2 GLU 59 HG2 GLU 59 0.169 -25.498 -19.231 403 HG3 GLU 59 HG1 GLU 59 -1.199 -26.557 -19.573 404 H TRP 60 HN TRP 60 0.089 -24.634 -15.380 405 HA TRP 60 HA TRP 60 -2.160 -24.066 -13.570 406 HB2 TRP 60 HB2 TRP 60 0.581 -24.990 -12.682 407 HB3 TRP 60 HB1 TRP 60 -0.705 -24.435 -11.617 408 HD1 TRP 60 HD1 TRP 60 0.426 -27.405 -13.644 409 HE1 TRP 60 HE1 TRP 60 -1.163 -29.389 -13.219 410 HE3 TRP 60 HE3 TRP 60 -3.257 -25.035 -11.023 411 HZ2 TRP 60 HZ2 TRP 60 -3.664 -29.905 -11.931 412 HZ3 TRP 60 HZ3 TRP 60 -5.229 -26.295 -10.206 413 HH2 TRP 60 HH2 TRP 60 -5.437 -28.724 -10.658 414 H LEU 61 HN LEU 61 -1.980 -22.123 -12.430 415 HA LEU 61 HA LEU 61 -0.045 -20.220 -13.593 416 HB2 LEU 61 HB2 LEU 61 -2.459 -19.677 -13.842 417 HB3 LEU 61 HB1 LEU 61 -2.623 -19.680 -12.087 418 HG LEU 61 HG LEU 61 -0.924 -17.883 -11.936 419 HD11 LEU 61 HD11 LEU 61 0.426 -17.458 -13.689 420 HD12 LEU 61 HD12 LEU 61 -0.969 -17.033 -14.682 421 HD13 LEU 61 HD13 LEU 61 -0.413 -18.707 -14.612 422 HD21 LEU 61 HD21 LEU 61 -3.470 -17.592 -13.469 423 HD22 LEU 61 HD22 LEU 61 -2.383 -16.203 -13.449 424 HD23 LEU 61 HD23 LEU 61 -2.997 -16.865 -11.934 425 H ASN 62 HN ASN 62 1.316 -19.015 -12.273 426 HA ASN 62 HA ASN 62 1.466 -19.947 -9.483 427 HB2 ASN 62 HB2 ASN 62 3.456 -19.181 -11.523 428 HB3 ASN 62 HB1 ASN 62 3.790 -18.607 -9.894 429 HD21 ASN 62 HD21 ASN 62 3.605 -20.392 -8.130 430 HD22 ASN 62 HD22 ASN 62 4.139 -21.944 -8.554 431 H VAL 63 HN VAL 63 1.174 -18.574 -7.836 432 HA VAL 63 HA VAL 63 0.939 -15.689 -8.463 433 HB VAL 63 HB VAL 63 -0.628 -17.310 -6.441 434 HG11 VAL 63 HG11 VAL 63 -0.524 -14.359 -7.098 435 HG12 VAL 63 HG12 VAL 63 -0.317 -15.129 -5.525 436 HG13 VAL 63 HG13 VAL 63 -1.907 -15.092 -6.287 437 HG21 VAL 63 HG21 VAL 63 -1.046 -17.217 -9.121 438 HG22 VAL 63 HG22 VAL 63 -1.930 -15.776 -8.625 439 HG23 VAL 63 HG23 VAL 63 -2.355 -17.348 -7.947 440 H SER 64 HN SER 64 2.304 -14.390 -7.380 441 HA SER 64 HA SER 64 3.326 -15.259 -4.765 442 HB2 SER 64 HB2 SER 64 5.028 -14.242 -7.054 443 HB3 SER 64 HB1 SER 64 5.597 -14.534 -5.412 444 HG SER 64 HG SER 64 4.760 -16.735 -5.752 445 H HIS 65 HN HIS 65 4.506 -13.382 -3.682 446 HA HIS 65 HA HIS 65 3.497 -10.758 -4.528 447 HB2 HIS 65 HB2 HIS 65 2.592 -10.255 -2.342 448 HB3 HIS 65 HB1 HIS 65 1.848 -11.745 -2.919 449 HD1 HIS 65 HD1 HIS 65 2.885 -14.022 -1.934 450 HD2 HIS 65 HD2 HIS 65 4.021 -10.531 0.041 451 HE1 HIS 65 HE1 HIS 65 3.851 -14.740 0.295 452 H GLU 66 HN GLU 66 4.611 -8.954 -3.410 453 HA GLU 66 HA GLU 66 7.312 -9.770 -2.558 454 HB2 GLU 66 HB2 GLU 66 7.283 -8.438 -4.606 455 HB3 GLU 66 HB1 GLU 66 6.346 -7.183 -3.793 456 HG2 GLU 66 HG2 GLU 66 8.713 -6.560 -3.821 457 HG3 GLU 66 HG1 GLU 66 8.197 -6.881 -2.167 458 H ALA 67 HN ALA 67 7.975 -9.273 -0.552 459 HA ALA 67 HA ALA 67 6.121 -7.921 1.236 460 HB1 ALA 67 HB1 ALA 67 7.344 -8.840 2.979 461 HB2 ALA 67 HB2 ALA 67 8.851 -8.833 2.064 462 HB3 ALA 67 HB3 ALA 67 7.610 -10.034 1.709 Start of MODEL 17 1 H MET 1 HT1 MET 1 2.569 -1.673 -0.488 2 HA MET 1 HA MET 1 1.962 -0.798 -3.175 3 HB2 MET 1 HB2 MET 1 4.832 -0.663 -2.254 4 HG2 MET 1 HG2 MET 1 3.561 1.060 -1.015 5 HE1 MET 1 HE1 MET 1 2.041 3.061 -0.733 6 HE2 MET 1 HE2 MET 1 1.395 4.032 -2.053 7 HE3 MET 1 HE3 MET 1 3.136 3.948 -1.800 8 H THR 2 HN THR 2 1.255 -3.112 -2.150 9 HA THR 2 HA THR 2 3.281 -5.130 -2.117 10 HB THR 2 HB THR 2 0.281 -5.378 -2.459 11 HG1 THR 2 HG1 THR 2 1.246 -6.159 -0.104 12 HG21 THR 2 HG21 THR 2 0.878 -7.696 -1.434 13 HG22 THR 2 HG22 THR 2 2.506 -7.357 -2.023 14 HG23 THR 2 HG23 THR 2 1.157 -7.441 -3.156 15 H THR 3 HN THR 3 4.099 -6.319 -3.738 16 HA THR 3 HA THR 3 2.957 -5.926 -6.440 17 HB THR 3 HB THR 3 5.830 -6.448 -5.638 18 HG1 THR 3 HG1 THR 3 5.597 -4.358 -5.349 19 HG21 THR 3 HG21 THR 3 6.105 -7.189 -7.738 20 HG22 THR 3 HG22 THR 3 5.597 -5.604 -8.325 21 HG23 THR 3 HG23 THR 3 4.405 -6.886 -8.102 22 H PHE 4 HN PHE 4 2.255 -7.671 -7.482 23 HA PHE 4 HA PHE 4 2.929 -10.312 -6.354 24 HB2 PHE 4 HB2 PHE 4 0.512 -9.396 -7.926 25 HB3 PHE 4 HB1 PHE 4 0.809 -11.051 -7.410 26 HD1 PHE 4 HD1 PHE 4 0.854 -11.634 -4.994 27 HD2 PHE 4 HD2 PHE 4 -0.204 -7.702 -6.363 28 HE1 PHE 4 HE1 PHE 4 -0.118 -11.120 -2.771 29 HE2 PHE 4 HE2 PHE 4 -1.174 -7.189 -4.139 30 HZ PHE 4 HZ PHE 4 -1.131 -8.898 -2.343 31 H THR 5 HN THR 5 3.722 -11.895 -7.657 32 HA THR 5 HA THR 5 4.147 -11.215 -10.504 33 HB THR 5 HB THR 5 6.054 -12.657 -8.646 34 HG1 THR 5 HG1 THR 5 6.025 -10.092 -9.838 35 HG21 THR 5 HG21 THR 5 6.786 -13.583 -10.574 36 HG22 THR 5 HG22 THR 5 7.388 -11.973 -10.971 37 HG23 THR 5 HG23 THR 5 5.809 -12.493 -11.560 38 H SER 6 HN SER 6 3.566 -12.744 -11.954 39 HA SER 6 HA SER 6 3.192 -15.510 -11.046 40 HB2 SER 6 HB2 SER 6 0.960 -15.638 -12.018 41 HB3 SER 6 HB1 SER 6 0.998 -14.367 -10.799 42 HG SER 6 HG SER 6 0.557 -12.982 -12.309 43 H ILE 7 HN ILE 7 2.976 -17.034 -12.827 44 HA ILE 7 HA ILE 7 3.618 -16.118 -15.504 45 HB ILE 7 HB ILE 7 5.789 -16.277 -14.125 46 HG12 ILE 7 HG12 ILE 7 5.673 -18.106 -16.529 47 HG13 ILE 7 HG11 ILE 7 5.507 -16.355 -16.681 48 HG21 ILE 7 HG21 ILE 7 6.374 -18.253 -13.198 49 HG22 ILE 7 HG22 ILE 7 5.949 -19.144 -14.659 50 HG23 ILE 7 HG23 ILE 7 4.704 -18.753 -13.470 51 HD11 ILE 7 HD11 ILE 7 7.703 -16.622 -15.021 52 HD12 ILE 7 HD12 ILE 7 7.767 -16.304 -16.756 53 HD13 ILE 7 HD13 ILE 7 7.904 -17.958 -16.157 54 H VAL 8 HN VAL 8 3.618 -17.986 -17.048 55 HA VAL 8 HA VAL 8 1.617 -19.916 -16.197 56 HB VAL 8 HB VAL 8 2.997 -19.524 -18.863 57 HG11 VAL 8 HG11 VAL 8 2.108 -21.523 -19.399 58 HG12 VAL 8 HG12 VAL 8 0.510 -20.823 -19.144 59 HG13 VAL 8 HG13 VAL 8 1.332 -21.650 -17.820 60 HG21 VAL 8 HG21 VAL 8 1.269 -17.811 -17.701 61 HG22 VAL 8 HG22 VAL 8 0.112 -18.944 -18.401 62 HG23 VAL 8 HG23 VAL 8 1.274 -18.115 -19.438 63 H THR 9 HN THR 9 2.396 -21.476 -14.949 64 HA THR 9 HA THR 9 4.295 -23.369 -16.073 65 HB THR 9 HB THR 9 4.935 -21.580 -13.797 66 HG1 THR 9 HG1 THR 9 6.427 -21.410 -15.268 67 HG21 THR 9 HG21 THR 9 4.773 -23.424 -12.397 68 HG22 THR 9 HG22 THR 9 6.431 -23.598 -12.974 69 HG23 THR 9 HG23 THR 9 5.144 -24.568 -13.688 70 H THR 10 HN THR 10 3.944 -25.484 -15.227 71 HA THR 10 HA THR 10 1.807 -25.567 -13.175 72 HB THR 10 HB THR 10 0.647 -26.473 -14.926 73 HG1 THR 10 HG1 THR 10 1.577 -28.883 -14.963 74 HG21 THR 10 HG21 THR 10 2.003 -26.222 -16.778 75 HG22 THR 10 HG22 THR 10 2.042 -27.978 -16.625 76 HG23 THR 10 HG23 THR 10 3.378 -27.011 -16.006 77 H ASN 11 HN ASN 11 3.262 -25.779 -11.469 78 HA ASN 11 HA ASN 11 4.525 -28.439 -11.273 79 HB2 ASN 11 HB2 ASN 11 5.726 -25.820 -10.358 80 HB3 ASN 11 HB1 ASN 11 6.422 -27.417 -10.086 81 HD21 ASN 11 HD21 ASN 11 7.086 -24.891 -11.918 82 HD22 ASN 11 HD22 ASN 11 7.497 -25.629 -13.390 83 HA PRO 12 HA PRO 12 1.585 -27.355 -7.762 84 HB2 PRO 12 HB2 PRO 12 0.881 -30.194 -8.342 85 HB3 PRO 12 HB1 PRO 12 -0.185 -28.819 -7.998 86 HG2 PRO 12 HG2 PRO 12 0.058 -29.797 -10.460 87 HG3 PRO 12 HG1 PRO 12 -0.127 -28.058 -10.167 88 HD2 PRO 12 HD2 PRO 12 2.336 -29.586 -10.928 89 HD3 PRO 12 HD1 PRO 12 1.849 -27.937 -11.371 90 H ASP 13 HN ASP 13 2.719 -27.457 -5.921 91 HA ASP 13 HA ASP 13 4.073 -29.991 -5.225 92 HB2 ASP 13 HB2 ASP 13 5.821 -28.679 -4.111 93 HB3 ASP 13 HB1 ASP 13 5.725 -28.276 -5.824 94 H PHE 14 HN PHE 14 2.477 -30.768 -3.886 95 HA PHE 14 HA PHE 14 1.096 -29.235 -1.940 96 HB2 PHE 14 HB2 PHE 14 1.605 -32.202 -2.209 97 HB3 PHE 14 HB1 PHE 14 0.605 -31.511 -0.931 98 HD1 PHE 14 HD1 PHE 14 -1.521 -30.395 -1.449 99 HD2 PHE 14 HD2 PHE 14 0.879 -32.179 -4.533 100 HE1 PHE 14 HE1 PHE 14 -3.441 -30.271 -3.014 101 HE2 PHE 14 HE2 PHE 14 -1.041 -32.055 -6.097 102 HZ PHE 14 HZ PHE 14 -3.201 -31.102 -5.339 103 H GLY 15 HN GLY 15 4.089 -31.081 -1.885 104 HA2 GLY 15 HA2 GLY 15 4.545 -31.141 0.883 105 HA3 GLY 15 HA1 GLY 15 5.793 -31.218 -0.354 106 H GLY 16 HN GLY 16 5.318 -28.654 -1.540 107 HA2 GLY 16 HA2 GLY 16 6.592 -26.988 0.500 108 HA3 GLY 16 HA1 GLY 16 6.509 -26.647 -1.228 109 H PHE 17 HN PHE 17 5.879 -24.460 -0.334 110 HA PHE 17 HA PHE 17 2.970 -24.405 0.163 111 HB2 PHE 17 HB2 PHE 17 3.417 -22.215 1.328 112 HB3 PHE 17 HB1 PHE 17 4.071 -23.629 2.153 113 HD1 PHE 17 HD1 PHE 17 6.476 -24.077 2.188 114 HD2 PHE 17 HD2 PHE 17 4.886 -20.610 0.212 115 HE1 PHE 17 HE1 PHE 17 8.749 -23.093 2.088 116 HE2 PHE 17 HE2 PHE 17 7.161 -19.626 0.109 117 HZ PHE 17 HZ PHE 17 9.092 -20.867 1.048 118 H GLU 18 HN GLU 18 2.116 -23.960 -1.783 119 HA GLU 18 HA GLU 18 2.690 -21.395 -2.970 120 HB2 GLU 18 HB2 GLU 18 3.159 -23.910 -4.594 121 HB3 GLU 18 HB1 GLU 18 3.165 -22.262 -5.223 122 HG2 GLU 18 HG2 GLU 18 5.017 -21.702 -3.657 123 HG3 GLU 18 HG1 GLU 18 5.047 -23.383 -3.126 124 H PHE 19 HN PHE 19 0.954 -20.650 -4.243 125 HA PHE 19 HA PHE 19 -1.414 -22.420 -4.185 126 HB2 PHE 19 HB2 PHE 19 -1.631 -20.375 -2.816 127 HB3 PHE 19 HB1 PHE 19 -1.311 -19.395 -4.246 128 HD1 PHE 19 HD1 PHE 19 -3.020 -18.963 -5.865 129 HD2 PHE 19 HD2 PHE 19 -3.656 -21.871 -2.766 130 HE1 PHE 19 HE1 PHE 19 -5.415 -19.112 -6.492 131 HE2 PHE 19 HE2 PHE 19 -6.049 -22.017 -3.394 132 HZ PHE 19 HZ PHE 19 -6.929 -20.636 -5.257 133 H TYR 20 HN TYR 20 -2.270 -23.031 -6.070 134 HA TYR 20 HA TYR 20 -1.581 -21.476 -8.495 135 HB2 TYR 20 HB2 TYR 20 -1.774 -24.490 -8.268 136 HB3 TYR 20 HB1 TYR 20 -1.459 -23.584 -9.747 137 HD1 TYR 20 HD1 TYR 20 -0.004 -25.158 -6.896 138 HD2 TYR 20 HD2 TYR 20 0.605 -21.997 -9.739 139 HE1 TYR 20 HE1 TYR 20 2.418 -25.156 -6.369 140 HE2 TYR 20 HE2 TYR 20 3.028 -21.991 -9.210 141 HH TYR 20 HH TYR 20 4.676 -23.046 -8.132 142 H VAL 21 HN VAL 21 -3.239 -21.103 -9.913 143 HA VAL 21 HA VAL 21 -5.913 -21.966 -9.055 144 HB VAL 21 HB VAL 21 -5.047 -19.926 -11.126 145 HG11 VAL 21 HG11 VAL 21 -7.812 -20.023 -10.027 146 HG12 VAL 21 HG12 VAL 21 -7.378 -21.286 -11.181 147 HG13 VAL 21 HG13 VAL 21 -7.258 -19.589 -11.644 148 HG21 VAL 21 HG21 VAL 21 -5.750 -18.269 -9.511 149 HG22 VAL 21 HG22 VAL 21 -4.631 -19.364 -8.694 150 HG23 VAL 21 HG23 VAL 21 -6.368 -19.519 -8.428 151 H GLU 22 HN GLU 22 -6.769 -23.725 -9.986 152 HA GLU 22 HA GLU 22 -5.588 -24.959 -12.271 153 HB2 GLU 22 HB2 GLU 22 -8.193 -25.464 -10.818 154 HB3 GLU 22 HB1 GLU 22 -7.587 -26.475 -12.130 155 HG2 GLU 22 HG2 GLU 22 -5.559 -26.969 -10.857 156 HG3 GLU 22 HG1 GLU 22 -6.084 -25.895 -9.563 157 H ALA 23 HN ALA 23 -6.197 -24.920 -14.395 158 HA ALA 23 HA ALA 23 -7.339 -22.727 -15.542 159 HB1 ALA 23 HB1 ALA 23 -6.629 -23.956 -17.291 160 HB2 ALA 23 HB2 ALA 23 -8.196 -24.763 -17.225 161 HB3 ALA 23 HB3 ALA 23 -6.805 -25.465 -16.396 162 H GLY 24 HN GLY 24 -9.288 -21.843 -15.588 163 HA2 GLY 24 HA2 GLY 24 -11.612 -21.679 -15.645 164 HA3 GLY 24 HA1 GLY 24 -11.707 -23.436 -15.547 165 H GLN 25 HN GLN 25 -9.616 -22.315 -13.197 166 HA GLN 25 HA GLN 25 -11.700 -22.590 -11.132 167 HB2 GLN 25 HB2 GLN 25 -9.588 -24.068 -11.191 168 HB3 GLN 25 HB1 GLN 25 -8.725 -22.626 -10.657 169 HG2 GLN 25 HG2 GLN 25 -11.202 -23.543 -9.214 170 HG3 GLN 25 HG1 GLN 25 -9.636 -24.262 -8.849 171 HE21 GLN 25 HE21 GLN 25 -11.281 -22.514 -7.079 172 HE22 GLN 25 HE22 GLN 25 -10.306 -21.172 -6.723 173 H GLN 26 HN GLN 26 -12.207 -20.932 -9.810 174 HA GLN 26 HA GLN 26 -11.130 -18.322 -10.418 175 HB2 GLN 26 HB2 GLN 26 -12.878 -17.449 -9.146 176 HB3 GLN 26 HB1 GLN 26 -13.571 -18.953 -9.754 177 HG2 GLN 26 HG2 GLN 26 -14.083 -19.133 -7.500 178 HG3 GLN 26 HG1 GLN 26 -12.526 -19.959 -7.546 179 HE21 GLN 26 HE21 GLN 26 -12.222 -19.319 -5.238 180 HE22 GLN 26 HE22 GLN 26 -11.747 -17.734 -4.864 181 H PHE 27 HN PHE 27 -9.546 -17.293 -9.392 182 HA PHE 27 HA PHE 27 -7.891 -18.535 -7.489 183 HB2 PHE 27 HB2 PHE 27 -7.108 -16.705 -8.917 184 HB3 PHE 27 HB1 PHE 27 -8.206 -15.587 -8.110 185 HD1 PHE 27 HD1 PHE 27 -7.705 -14.683 -5.939 186 HD2 PHE 27 HD2 PHE 27 -5.201 -17.714 -7.662 187 HE1 PHE 27 HE1 PHE 27 -5.996 -14.260 -4.197 188 HE2 PHE 27 HE2 PHE 27 -3.492 -17.295 -5.917 189 HZ PHE 27 HZ PHE 27 -3.890 -15.566 -4.184 190 H ASP 28 HN ASP 28 -8.057 -18.814 -5.390 191 HA ASP 28 HA ASP 28 -10.288 -17.643 -3.946 192 HB2 ASP 28 HB2 ASP 28 -8.133 -19.561 -3.034 193 HB3 ASP 28 HB1 ASP 28 -9.588 -19.139 -2.141 194 H ASP 29 HN ASP 29 -9.513 -15.429 -4.046 195 HA ASP 29 HA ASP 29 -7.060 -14.643 -2.818 196 HB2 ASP 29 HB2 ASP 29 -7.983 -12.369 -2.932 197 HB3 ASP 29 HB1 ASP 29 -8.215 -13.222 -4.458 198 H SER 30 HN SER 30 -10.219 -15.424 -1.638 199 HA SER 30 HA SER 30 -10.170 -14.004 0.810 200 HB2 SER 30 HB2 SER 30 -11.567 -16.571 0.028 201 HB3 SER 30 HB1 SER 30 -11.850 -15.711 1.540 202 HG SER 30 HG SER 30 -12.905 -14.204 0.487 203 H ALA 31 HN ALA 31 -9.033 -17.236 -0.108 204 HA ALA 31 HA ALA 31 -8.093 -17.772 2.596 205 HB1 ALA 31 HB1 ALA 31 -7.447 -19.472 0.207 206 HB2 ALA 31 HB2 ALA 31 -9.069 -19.493 0.900 207 HB3 ALA 31 HB3 ALA 31 -7.682 -19.956 1.887 208 H TYR 32 HN TYR 32 -6.894 -16.490 -0.360 209 HA TYR 32 HA TYR 32 -4.150 -17.077 -0.092 210 HB2 TYR 32 HB2 TYR 32 -5.248 -16.100 -2.137 211 HB3 TYR 32 HB1 TYR 32 -5.326 -14.558 -1.284 212 HD1 TYR 32 HD1 TYR 32 -3.094 -17.065 -2.808 213 HD2 TYR 32 HD2 TYR 32 -3.301 -13.287 -0.776 214 HE1 TYR 32 HE1 TYR 32 -0.738 -16.604 -3.427 215 HE2 TYR 32 HE2 TYR 32 -0.946 -12.823 -1.400 216 HH TYR 32 HH TYR 32 0.629 -13.662 -3.381 217 H GLU 33 HN GLU 33 -6.197 -14.562 1.257 218 HA GLU 33 HA GLU 33 -4.195 -12.888 2.299 219 HB2 GLU 33 HB2 GLU 33 -7.024 -13.434 3.208 220 HB3 GLU 33 HB1 GLU 33 -6.003 -12.182 3.916 221 HG2 GLU 33 HG2 GLU 33 -5.773 -11.084 1.759 222 HG3 GLU 33 HG1 GLU 33 -6.662 -12.385 0.968 223 H GLU 34 HN GLU 34 -5.821 -15.729 3.696 224 HA GLU 34 HA GLU 34 -4.342 -15.504 6.176 225 HB2 GLU 34 HB2 GLU 34 -5.588 -17.345 6.914 226 HB3 GLU 34 HB1 GLU 34 -6.702 -16.548 5.804 227 HG2 GLU 34 HG2 GLU 34 -6.860 -18.591 4.826 228 HG3 GLU 34 HG1 GLU 34 -5.305 -18.181 4.105 229 H ALA 35 HN ALA 35 -3.922 -16.890 3.073 230 HA ALA 35 HA ALA 35 -2.092 -18.981 3.773 231 HB1 ALA 35 HB1 ALA 35 -2.638 -19.484 1.654 232 HB2 ALA 35 HB2 ALA 35 -1.520 -18.213 1.157 233 HB3 ALA 35 HB3 ALA 35 -3.236 -17.853 1.350 234 H TYR 36 HN TYR 36 -1.772 -15.613 2.736 235 HA TYR 36 HA TYR 36 1.109 -15.742 3.397 236 HB2 TYR 36 HB2 TYR 36 -0.321 -14.022 1.357 237 HB3 TYR 36 HB1 TYR 36 1.388 -13.881 1.766 238 HD1 TYR 36 HD1 TYR 36 2.970 -15.701 1.229 239 HD2 TYR 36 HD2 TYR 36 -1.159 -15.890 0.058 240 HE1 TYR 36 HE1 TYR 36 3.501 -17.542 -0.346 241 HE2 TYR 36 HE2 TYR 36 -0.627 -17.730 -1.517 242 HH TYR 36 HH TYR 36 1.556 -19.609 -1.477 243 H GLY 37 HN GLY 37 -1.798 -14.662 4.477 244 HA2 GLY 37 HA2 GLY 37 -2.410 -13.159 6.113 245 HA3 GLY 37 HA1 GLY 37 -0.695 -12.990 6.472 246 H VAL 38 HN VAL 38 -1.970 -12.290 3.274 247 HA VAL 38 HA VAL 38 -1.705 -9.402 3.842 248 HB VAL 38 HB VAL 38 -0.627 -9.122 1.638 249 HG11 VAL 38 HG11 VAL 38 1.332 -10.954 2.518 250 HG12 VAL 38 HG12 VAL 38 0.488 -10.418 3.972 251 HG13 VAL 38 HG13 VAL 38 1.236 -9.235 2.899 252 HG21 VAL 38 HG21 VAL 38 0.268 -11.237 0.562 253 HG22 VAL 38 HG22 VAL 38 -1.480 -11.038 0.449 254 HG23 VAL 38 HG23 VAL 38 -0.794 -12.149 1.634 255 H SER 39 HN SER 39 -2.872 -8.016 2.422 256 HA SER 39 HA SER 39 -5.423 -9.145 1.617 257 HB2 SER 39 HB2 SER 39 -5.436 -7.007 2.755 258 HB3 SER 39 HB1 SER 39 -4.350 -6.315 1.553 259 HG SER 39 HG SER 39 -7.051 -6.708 1.473 260 H VAL 40 HN VAL 40 -5.965 -9.759 -0.387 261 HA VAL 40 HA VAL 40 -4.104 -9.161 -2.583 262 HB VAL 40 HB VAL 40 -6.394 -11.139 -2.428 263 HG11 VAL 40 HG11 VAL 40 -4.150 -10.941 -4.451 264 HG12 VAL 40 HG12 VAL 40 -5.759 -10.270 -4.717 265 HG13 VAL 40 HG13 VAL 40 -5.552 -12.009 -4.509 266 HG21 VAL 40 HG21 VAL 40 -3.641 -12.138 -2.647 267 HG22 VAL 40 HG22 VAL 40 -4.941 -12.655 -1.572 268 HG23 VAL 40 HG23 VAL 40 -3.943 -11.263 -1.145 269 HA PRO 41 HA PRO 41 -7.049 -5.948 -3.731 270 HB2 PRO 41 HB2 PRO 41 -5.293 -5.984 -6.150 271 HB3 PRO 41 HB1 PRO 41 -5.798 -4.612 -5.142 272 HG2 PRO 41 HG2 PRO 41 -3.341 -5.562 -4.968 273 HG3 PRO 41 HG1 PRO 41 -4.220 -5.065 -3.509 274 HD2 PRO 41 HD2 PRO 41 -3.701 -7.842 -4.541 275 HD3 PRO 41 HD1 PRO 41 -3.685 -7.242 -2.865 276 H SER 42 HN SER 42 -8.950 -6.150 -4.826 277 HA SER 42 HA SER 42 -9.712 -8.502 -6.081 278 HB2 SER 42 HB2 SER 42 -11.682 -7.263 -6.854 279 HB3 SER 42 HB1 SER 42 -11.299 -6.854 -5.184 280 HG SER 42 HG SER 42 -10.717 -4.897 -5.789 281 H ALA 43 HN ALA 43 -8.384 -5.540 -7.513 282 HA ALA 43 HA ALA 43 -8.882 -6.187 -10.210 283 HB1 ALA 43 HB1 ALA 43 -7.831 -4.237 -10.599 284 HB2 ALA 43 HB2 ALA 43 -6.362 -4.781 -9.788 285 HB3 ALA 43 HB3 ALA 43 -7.683 -4.087 -8.847 286 H VAL 44 HN VAL 44 -6.125 -6.918 -8.092 287 HA VAL 44 HA VAL 44 -4.516 -8.156 -10.067 288 HB VAL 44 HB VAL 44 -4.585 -8.432 -7.059 289 HG11 VAL 44 HG11 VAL 44 -2.398 -9.360 -8.935 290 HG12 VAL 44 HG12 VAL 44 -3.633 -10.446 -8.295 291 HG13 VAL 44 HG13 VAL 44 -2.516 -9.636 -7.198 292 HG21 VAL 44 HG21 VAL 44 -3.949 -6.225 -8.185 293 HG22 VAL 44 HG22 VAL 44 -2.556 -7.079 -8.850 294 HG23 VAL 44 HG23 VAL 44 -2.738 -6.914 -7.104 295 H VAL 45 HN VAL 45 -6.802 -9.490 -7.694 296 HA VAL 45 HA VAL 45 -6.392 -12.213 -8.369 297 HB VAL 45 HB VAL 45 -7.408 -11.601 -6.264 298 HG11 VAL 45 HG11 VAL 45 -9.568 -10.541 -6.114 299 HG12 VAL 45 HG12 VAL 45 -9.781 -10.619 -7.864 300 HG13 VAL 45 HG13 VAL 45 -8.558 -9.554 -7.169 301 HG21 VAL 45 HG21 VAL 45 -9.651 -12.869 -7.813 302 HG22 VAL 45 HG22 VAL 45 -9.046 -13.274 -6.207 303 HG23 VAL 45 HG23 VAL 45 -8.113 -13.715 -7.637 304 H GLU 46 HN GLU 46 -8.588 -9.748 -9.675 305 HA GLU 46 HA GLU 46 -10.256 -11.510 -11.104 306 HB2 GLU 46 HB2 GLU 46 -9.464 -8.639 -11.622 307 HB3 GLU 46 HB1 GLU 46 -10.651 -9.499 -12.602 308 HG2 GLU 46 HG2 GLU 46 -12.073 -9.865 -10.686 309 HG3 GLU 46 HG1 GLU 46 -10.845 -9.235 -9.592 310 H GLU 47 HN GLU 47 -7.260 -9.833 -12.064 311 HA GLU 47 HA GLU 47 -7.148 -10.779 -14.700 312 HB2 GLU 47 HB2 GLU 47 -4.961 -9.974 -12.773 313 HB3 GLU 47 HB1 GLU 47 -4.668 -10.349 -14.472 314 HG2 GLU 47 HG2 GLU 47 -6.538 -8.200 -13.430 315 HG3 GLU 47 HG1 GLU 47 -4.958 -7.925 -14.161 316 H MET 48 HN MET 48 -6.005 -12.184 -11.663 317 HA MET 48 HA MET 48 -4.569 -14.351 -12.759 318 HB2 MET 48 HB2 MET 48 -6.022 -14.047 -10.122 319 HB3 MET 48 HB1 MET 48 -5.000 -15.427 -10.521 320 HG2 MET 48 HG2 MET 48 -4.108 -12.529 -10.494 321 HG3 MET 48 HG1 MET 48 -3.730 -13.729 -9.259 322 HE1 MET 48 HE1 MET 48 -3.530 -12.715 -12.925 323 HE2 MET 48 HE2 MET 48 -1.831 -13.014 -13.286 324 HE3 MET 48 HE3 MET 48 -2.266 -11.870 -12.019 325 H ASN 49 HN ASN 49 -7.975 -13.937 -11.902 326 HA ASN 49 HA ASN 49 -8.793 -16.609 -12.358 327 HB2 ASN 49 HB2 ASN 49 -10.270 -13.976 -12.443 328 HB3 ASN 49 HB1 ASN 49 -11.073 -15.522 -12.717 329 HD21 ASN 49 HD21 ASN 49 -9.877 -13.379 -10.267 330 HD22 ASN 49 HD22 ASN 49 -10.172 -14.400 -8.943 331 H ALA 50 HN ALA 50 -8.542 -13.779 -14.459 332 HA ALA 50 HA ALA 50 -9.752 -14.906 -16.754 333 HB1 ALA 50 HB1 ALA 50 -9.156 -12.968 -17.803 334 HB2 ALA 50 HB2 ALA 50 -7.518 -12.994 -17.149 335 HB3 ALA 50 HB3 ALA 50 -8.858 -12.436 -16.148 336 H LYS 51 HN LYS 51 -6.394 -14.809 -15.636 337 HA LYS 51 HA LYS 51 -5.189 -16.001 -17.873 338 HB2 LYS 51 HB2 LYS 51 -4.433 -16.002 -14.945 339 HB3 LYS 51 HB1 LYS 51 -3.388 -16.627 -16.224 340 HG2 LYS 51 HG2 LYS 51 -3.400 -14.449 -17.340 341 HG3 LYS 51 HG1 LYS 51 -4.506 -13.812 -16.123 342 HD2 LYS 51 HD2 LYS 51 -2.808 -14.257 -14.371 343 HD3 LYS 51 HD1 LYS 51 -1.696 -14.826 -15.617 344 HE2 LYS 51 HE2 LYS 51 -2.931 -12.061 -15.563 345 HE3 LYS 51 HE1 LYS 51 -1.313 -12.441 -14.987 346 HZ1 LYS 51 HZ1 LYS 51 -0.795 -11.916 -17.107 347 HZ2 LYS 51 HZ2 LYS 51 -2.335 -12.311 -17.709 348 HZ3 LYS 51 HZ3 LYS 51 -1.207 -13.539 -17.384 349 H ALA 52 HN ALA 52 -6.663 -17.428 -14.980 350 HA ALA 52 HA ALA 52 -5.888 -20.092 -15.406 351 HB1 ALA 52 HB1 ALA 52 -7.220 -20.557 -13.623 352 HB2 ALA 52 HB2 ALA 52 -8.577 -19.631 -14.263 353 HB3 ALA 52 HB3 ALA 52 -7.248 -18.802 -13.454 354 H ALA 53 HN ALA 53 -8.617 -18.221 -16.650 355 HA ALA 53 HA ALA 53 -10.036 -20.373 -17.825 356 HB1 ALA 53 HB1 ALA 53 -10.387 -17.612 -17.579 357 HB2 ALA 53 HB2 ALA 53 -11.480 -18.743 -18.379 358 HB3 ALA 53 HB3 ALA 53 -10.253 -17.890 -19.316 359 H GLN 54 HN GLN 54 -7.449 -18.279 -18.951 360 HA GLN 54 HA GLN 54 -7.430 -19.259 -21.647 361 HB2 GLN 54 HB2 GLN 54 -5.420 -17.689 -20.024 362 HB3 GLN 54 HB1 GLN 54 -5.181 -18.111 -21.720 363 HG2 GLN 54 HG2 GLN 54 -7.160 -16.890 -22.376 364 HG3 GLN 54 HG1 GLN 54 -7.606 -16.617 -20.691 365 HE21 GLN 54 HE21 GLN 54 -6.999 -14.565 -22.797 366 HE22 GLN 54 HE22 GLN 54 -5.711 -13.650 -22.177 367 H LEU 55 HN LEU 55 -6.038 -20.268 -18.635 368 HA LEU 55 HA LEU 55 -3.864 -21.783 -19.583 369 HB2 LEU 55 HB2 LEU 55 -5.570 -22.017 -17.106 370 HB3 LEU 55 HB1 LEU 55 -4.172 -23.048 -17.399 371 HG LEU 55 HG LEU 55 -4.048 -20.025 -17.464 372 HD11 LEU 55 HD11 LEU 55 -4.498 -21.577 -15.210 373 HD12 LEU 55 HD12 LEU 55 -3.786 -19.964 -15.217 374 HD13 LEU 55 HD13 LEU 55 -2.744 -21.387 -15.224 375 HD21 LEU 55 HD21 LEU 55 -1.894 -20.317 -18.074 376 HD22 LEU 55 HD22 LEU 55 -2.293 -22.011 -18.365 377 HD23 LEU 55 HD23 LEU 55 -1.635 -21.514 -16.806 378 H LYS 56 HN LYS 56 -3.653 -23.745 -20.398 379 HA LYS 56 HA LYS 56 -6.043 -25.204 -21.206 380 HB2 LYS 56 HB2 LYS 56 -3.106 -25.623 -21.812 381 HB3 LYS 56 HB1 LYS 56 -4.410 -26.616 -22.465 382 HG2 LYS 56 HG2 LYS 56 -5.426 -24.614 -23.491 383 HG3 LYS 56 HG1 LYS 56 -4.120 -23.620 -22.844 384 HD2 LYS 56 HD2 LYS 56 -2.474 -24.936 -24.131 385 HD3 LYS 56 HD1 LYS 56 -3.780 -25.928 -24.782 386 HE2 LYS 56 HE2 LYS 56 -4.792 -23.930 -25.815 387 HE3 LYS 56 HE1 LYS 56 -3.495 -22.932 -25.160 388 HZ1 LYS 56 HZ1 LYS 56 -3.369 -23.923 -27.570 389 HZ2 LYS 56 HZ2 LYS 56 -2.759 -25.278 -26.747 390 HZ3 LYS 56 HZ3 LYS 56 -1.979 -23.775 -26.609 391 H ASP 57 HN ASP 57 -5.681 -27.741 -21.121 392 HA ASP 57 HA ASP 57 -5.617 -28.421 -18.327 393 HB2 ASP 57 HB2 ASP 57 -7.172 -29.504 -19.918 394 HB3 ASP 57 HB1 ASP 57 -5.795 -30.215 -20.759 395 H GLY 58 HN GLY 58 -3.801 -28.753 -17.229 396 HA2 GLY 58 HA2 GLY 58 -1.883 -30.240 -16.887 397 HA3 GLY 58 HA1 GLY 58 -1.532 -30.068 -18.605 398 H GLU 59 HN GLU 59 -2.634 -27.189 -17.280 399 HA GLU 59 HA GLU 59 0.107 -26.217 -16.749 400 HB2 GLU 59 HB2 GLU 59 -2.053 -24.892 -18.400 401 HB3 GLU 59 HB1 GLU 59 -0.623 -24.044 -17.807 402 HG2 GLU 59 HG2 GLU 59 0.841 -25.569 -19.002 403 HG3 GLU 59 HG1 GLU 59 -0.532 -26.556 -19.498 404 H TRP 60 HN TRP 60 0.252 -24.470 -15.246 405 HA TRP 60 HA TRP 60 -2.209 -23.870 -13.751 406 HB2 TRP 60 HB2 TRP 60 0.376 -24.654 -12.392 407 HB3 TRP 60 HB1 TRP 60 -1.177 -24.317 -11.627 408 HD1 TRP 60 HD1 TRP 60 0.851 -27.118 -12.601 409 HE1 TRP 60 HE1 TRP 60 -0.539 -29.265 -12.917 410 HE3 TRP 60 HE3 TRP 60 -3.837 -25.110 -12.810 411 HZ2 TRP 60 HZ2 TRP 60 -3.276 -30.029 -13.221 412 HZ3 TRP 60 HZ3 TRP 60 -5.816 -26.569 -13.117 413 HH2 TRP 60 HH2 TRP 60 -5.541 -29.024 -13.323 414 H LEU 61 HN LEU 61 -2.115 -21.938 -12.533 415 HA LEU 61 HA LEU 61 -0.127 -20.032 -13.567 416 HB2 LEU 61 HB2 LEU 61 -2.529 -19.480 -13.866 417 HB3 LEU 61 HB1 LEU 61 -2.737 -19.519 -12.115 418 HG LEU 61 HG LEU 61 -1.066 -17.718 -11.873 419 HD11 LEU 61 HD11 LEU 61 -0.461 -18.499 -14.560 420 HD12 LEU 61 HD12 LEU 61 0.386 -17.329 -13.549 421 HD13 LEU 61 HD13 LEU 61 -0.946 -16.803 -14.578 422 HD21 LEU 61 HD21 LEU 61 -2.419 -15.966 -13.289 423 HD22 LEU 61 HD22 LEU 61 -3.238 -16.829 -11.987 424 HD23 LEU 61 HD23 LEU 61 -3.461 -17.340 -13.662 425 H ASN 62 HN ASN 62 1.226 -18.861 -12.174 426 HA ASN 62 HA ASN 62 1.204 -19.804 -9.375 427 HB2 ASN 62 HB2 ASN 62 3.234 -20.067 -11.112 428 HB3 ASN 62 HB1 ASN 62 3.596 -18.451 -10.509 429 HD21 ASN 62 HD21 ASN 62 2.118 -19.573 -7.879 430 HD22 ASN 62 HD22 ASN 62 3.393 -20.365 -7.093 431 H VAL 63 HN VAL 63 0.803 -18.352 -7.817 432 HA VAL 63 HA VAL 63 0.896 -15.482 -8.537 433 HB VAL 63 HB VAL 63 -0.907 -16.902 -6.559 434 HG11 VAL 63 HG11 VAL 63 -2.002 -14.552 -6.603 435 HG12 VAL 63 HG12 VAL 63 -0.457 -13.998 -7.248 436 HG13 VAL 63 HG13 VAL 63 -0.528 -14.751 -5.655 437 HG21 VAL 63 HG21 VAL 63 -2.556 -16.828 -8.153 438 HG22 VAL 63 HG22 VAL 63 -1.178 -16.866 -9.254 439 HG23 VAL 63 HG23 VAL 63 -1.948 -15.329 -8.858 440 H SER 64 HN SER 64 2.279 -14.242 -7.411 441 HA SER 64 HA SER 64 3.115 -15.107 -4.729 442 HB2 SER 64 HB2 SER 64 4.987 -14.260 -6.954 443 HB3 SER 64 HB1 SER 64 5.456 -14.540 -5.280 444 HG SER 64 HG SER 64 5.039 -16.668 -5.513 445 H HIS 65 HN HIS 65 4.462 -13.241 -3.710 446 HA HIS 65 HA HIS 65 3.569 -10.605 -4.641 447 HB2 HIS 65 HB2 HIS 65 2.687 -9.984 -2.482 448 HB3 HIS 65 HB1 HIS 65 1.882 -11.467 -2.992 449 HD1 HIS 65 HD1 HIS 65 2.853 -13.740 -1.924 450 HD2 HIS 65 HD2 HIS 65 4.098 -10.211 -0.088 451 HE1 HIS 65 HE1 HIS 65 3.807 -14.401 0.328 452 H GLU 66 HN GLU 66 4.736 -8.828 -3.561 453 HA GLU 66 HA GLU 66 7.273 -9.680 -2.326 454 HB2 GLU 66 HB2 GLU 66 7.685 -9.196 -4.706 455 HB3 GLU 66 HB1 GLU 66 6.961 -7.599 -4.504 456 HG2 GLU 66 HG2 GLU 66 8.679 -7.005 -2.856 457 HG3 GLU 66 HG1 GLU 66 9.391 -8.611 -2.999 458 H ALA 67 HN ALA 67 7.941 -8.420 -0.642 459 HA ALA 67 HA ALA 67 6.117 -6.740 0.669 460 HB1 ALA 67 HB1 ALA 67 9.129 -6.884 0.943 461 HB2 ALA 67 HB2 ALA 67 7.952 -7.837 1.848 462 HB3 ALA 67 HB3 ALA 67 8.043 -6.092 2.084 Start of MODEL 18 1 H MET 1 HT1 MET 1 5.177 0.343 -0.294 2 HA MET 1 HA MET 1 3.473 -0.589 -1.709 3 HB2 MET 1 HB2 MET 1 6.089 0.173 -2.474 4 HG2 MET 1 HG2 MET 1 4.875 0.764 -4.622 5 HE1 MET 1 HE1 MET 1 5.994 2.646 -3.817 6 HE2 MET 1 HE2 MET 1 6.231 2.248 -2.117 7 HE3 MET 1 HE3 MET 1 5.496 3.787 -2.560 8 H THR 2 HN THR 2 2.485 -2.385 -2.498 9 HA THR 2 HA THR 2 3.922 -4.948 -2.180 10 HB THR 2 HB THR 2 0.951 -4.400 -1.972 11 HG1 THR 2 HG1 THR 2 1.251 -4.610 0.157 12 HG21 THR 2 HG21 THR 2 1.714 -6.643 -2.943 13 HG22 THR 2 HG22 THR 2 0.683 -6.721 -1.515 14 HG23 THR 2 HG23 THR 2 2.423 -6.966 -1.362 15 H THR 3 HN THR 3 4.183 -6.179 -3.916 16 HA THR 3 HA THR 3 2.607 -5.534 -6.343 17 HB THR 3 HB THR 3 4.584 -5.939 -7.670 18 HG1 THR 3 HG1 THR 3 5.917 -7.316 -6.823 19 HG21 THR 3 HG21 THR 3 5.816 -4.339 -5.498 20 HG22 THR 3 HG22 THR 3 4.262 -3.766 -6.106 21 HG23 THR 3 HG23 THR 3 5.626 -3.952 -7.209 22 H PHE 4 HN PHE 4 2.013 -7.275 -7.665 23 HA PHE 4 HA PHE 4 2.359 -9.936 -6.428 24 HB2 PHE 4 HB2 PHE 4 0.072 -8.832 -8.078 25 HB3 PHE 4 HB1 PHE 4 0.201 -10.496 -7.522 26 HD1 PHE 4 HD1 PHE 4 -0.451 -7.025 -6.539 27 HD2 PHE 4 HD2 PHE 4 0.053 -11.049 -5.124 28 HE1 PHE 4 HE1 PHE 4 -1.434 -6.381 -4.357 29 HE2 PHE 4 HE2 PHE 4 -0.930 -10.403 -2.941 30 HZ PHE 4 HZ PHE 4 -1.673 -8.069 -2.557 31 H THR 5 HN THR 5 3.110 -11.575 -7.661 32 HA THR 5 HA THR 5 3.525 -11.041 -10.537 33 HB THR 5 HB THR 5 5.721 -12.108 -10.374 34 HG1 THR 5 HG1 THR 5 5.929 -13.355 -8.709 35 HG21 THR 5 HG21 THR 5 5.031 -9.571 -9.505 36 HG22 THR 5 HG22 THR 5 6.668 -10.124 -9.855 37 HG23 THR 5 HG23 THR 5 6.054 -10.179 -8.203 38 H SER 6 HN SER 6 3.777 -12.943 -11.854 39 HA SER 6 HA SER 6 3.072 -15.531 -10.734 40 HB2 SER 6 HB2 SER 6 1.041 -15.823 -12.028 41 HB3 SER 6 HB1 SER 6 0.873 -14.395 -11.011 42 HG SER 6 HG SER 6 1.828 -13.341 -13.043 43 H ILE 7 HN ILE 7 3.105 -17.251 -12.375 44 HA ILE 7 HA ILE 7 4.314 -16.597 -14.951 45 HB ILE 7 HB ILE 7 6.181 -16.883 -13.246 46 HG12 ILE 7 HG12 ILE 7 7.463 -18.433 -14.729 47 HG13 ILE 7 HG11 ILE 7 5.955 -18.853 -15.545 48 HG21 ILE 7 HG21 ILE 7 4.683 -18.948 -12.316 49 HG22 ILE 7 HG22 ILE 7 6.425 -18.826 -12.066 50 HG23 ILE 7 HG23 ILE 7 5.792 -19.820 -13.377 51 HD11 ILE 7 HD11 ILE 7 6.532 -15.952 -15.299 52 HD12 ILE 7 HD12 ILE 7 5.840 -16.852 -16.650 53 HD13 ILE 7 HD13 ILE 7 7.583 -16.857 -16.387 54 H VAL 8 HN VAL 8 4.243 -18.474 -16.427 55 HA VAL 8 HA VAL 8 2.046 -20.266 -15.663 56 HB VAL 8 HB VAL 8 3.278 -19.706 -18.369 57 HG11 VAL 8 HG11 VAL 8 0.678 -20.843 -18.524 58 HG12 VAL 8 HG12 VAL 8 1.613 -21.848 -17.418 59 HG13 VAL 8 HG13 VAL 8 2.199 -21.557 -19.057 60 HG21 VAL 8 HG21 VAL 8 1.769 -18.031 -18.586 61 HG22 VAL 8 HG22 VAL 8 1.579 -18.126 -16.836 62 HG23 VAL 8 HG23 VAL 8 0.474 -19.007 -17.893 63 H THR 9 HN THR 9 2.780 -21.972 -14.631 64 HA THR 9 HA THR 9 4.459 -23.883 -16.037 65 HB THR 9 HB THR 9 6.044 -22.425 -14.666 66 HG1 THR 9 HG1 THR 9 5.705 -25.167 -14.544 67 HG21 THR 9 HG21 THR 9 4.484 -22.088 -12.765 68 HG22 THR 9 HG22 THR 9 6.021 -22.771 -12.238 69 HG23 THR 9 HG23 THR 9 4.601 -23.807 -12.384 70 H THR 10 HN THR 10 4.153 -26.076 -15.094 71 HA THR 10 HA THR 10 2.031 -26.062 -13.035 72 HB THR 10 HB THR 10 0.717 -26.641 -14.818 73 HG1 THR 10 HG1 THR 10 0.808 -29.036 -14.965 74 HG21 THR 10 HG21 THR 10 1.907 -26.621 -16.756 75 HG22 THR 10 HG22 THR 10 1.951 -28.372 -16.539 76 HG23 THR 10 HG23 THR 10 3.312 -27.384 -16.008 77 H ASN 11 HN ASN 11 3.476 -26.592 -11.419 78 HA ASN 11 HA ASN 11 4.058 -29.430 -11.202 79 HB2 ASN 11 HB2 ASN 11 6.282 -27.378 -11.114 80 HB3 ASN 11 HB1 ASN 11 6.449 -29.082 -10.693 81 HD21 ASN 11 HD21 ASN 11 5.419 -30.559 -12.612 82 HD22 ASN 11 HD22 ASN 11 5.950 -30.127 -14.165 83 HA PRO 12 HA PRO 12 3.315 -26.802 -7.301 84 HB2 PRO 12 HB2 PRO 12 0.672 -27.377 -6.886 85 HB3 PRO 12 HB1 PRO 12 1.229 -25.973 -7.816 86 HG2 PRO 12 HG2 PRO 12 0.216 -28.601 -8.783 87 HG3 PRO 12 HG1 PRO 12 -0.082 -26.973 -9.417 88 HD2 PRO 12 HD2 PRO 12 1.711 -28.699 -10.556 89 HD3 PRO 12 HD1 PRO 12 1.890 -26.933 -10.624 90 H ASP 13 HN ASP 13 4.337 -28.069 -5.839 91 HA ASP 13 HA ASP 13 3.527 -30.852 -5.469 92 HB2 ASP 13 HB2 ASP 13 5.963 -29.989 -5.592 93 HB3 ASP 13 HB1 ASP 13 5.698 -29.439 -3.938 94 H PHE 14 HN PHE 14 3.343 -31.661 -3.203 95 HA PHE 14 HA PHE 14 1.669 -29.809 -1.642 96 HB2 PHE 14 HB2 PHE 14 1.927 -32.823 -1.512 97 HB3 PHE 14 HB1 PHE 14 0.840 -31.850 -0.521 98 HD1 PHE 14 HD1 PHE 14 0.132 -34.077 -2.595 99 HD2 PHE 14 HD2 PHE 14 0.286 -29.790 -2.802 100 HE1 PHE 14 HE1 PHE 14 -1.555 -34.105 -4.415 101 HE2 PHE 14 HE2 PHE 14 -1.401 -29.817 -4.621 102 HZ PHE 14 HZ PHE 14 -2.320 -31.973 -5.427 103 H GLY 15 HN GLY 15 4.784 -30.371 -1.748 104 HA2 GLY 15 HA2 GLY 15 5.240 -30.951 1.089 105 HA3 GLY 15 HA1 GLY 15 6.473 -30.841 -0.164 106 H GLY 16 HN GLY 16 4.325 -28.305 -0.512 107 HA2 GLY 16 HA2 GLY 16 5.578 -26.516 1.415 108 HA3 GLY 16 HA1 GLY 16 5.961 -26.198 -0.276 109 H PHE 17 HN PHE 17 4.822 -24.129 0.699 110 HA PHE 17 HA PHE 17 1.908 -24.358 0.336 111 HB2 PHE 17 HB2 PHE 17 1.814 -22.132 1.410 112 HB3 PHE 17 HB1 PHE 17 2.616 -23.321 2.438 113 HD1 PHE 17 HD1 PHE 17 3.075 -20.343 0.324 114 HD2 PHE 17 HD2 PHE 17 5.035 -23.253 2.802 115 HE1 PHE 17 HE1 PHE 17 5.106 -18.921 0.387 116 HE2 PHE 17 HE2 PHE 17 7.066 -21.829 2.868 117 HZ PHE 17 HZ PHE 17 7.101 -19.664 1.660 118 H GLU 18 HN GLU 18 1.137 -23.832 -1.578 119 HA GLU 18 HA GLU 18 2.057 -21.460 -2.960 120 HB2 GLU 18 HB2 GLU 18 2.302 -24.179 -4.265 121 HB3 GLU 18 HB1 GLU 18 2.533 -22.629 -5.076 122 HG2 GLU 18 HG2 GLU 18 4.137 -23.565 -2.680 123 HG3 GLU 18 HG1 GLU 18 4.683 -23.694 -4.350 124 H PHE 19 HN PHE 19 0.447 -20.608 -4.292 125 HA PHE 19 HA PHE 19 -2.074 -22.149 -4.315 126 HB2 PHE 19 HB2 PHE 19 -2.040 -19.974 -3.038 127 HB3 PHE 19 HB1 PHE 19 -1.761 -19.154 -4.576 128 HD1 PHE 19 HD1 PHE 19 -3.508 -19.061 -6.299 129 HD2 PHE 19 HD2 PHE 19 -4.159 -21.097 -2.570 130 HE1 PHE 19 HE1 PHE 19 -5.939 -19.157 -6.772 131 HE2 PHE 19 HE2 PHE 19 -6.590 -21.189 -3.047 132 HZ PHE 19 HZ PHE 19 -7.480 -20.219 -5.148 133 H TYR 20 HN TYR 20 -2.838 -22.779 -6.223 134 HA TYR 20 HA TYR 20 -2.002 -21.313 -8.646 135 HB2 TYR 20 HB2 TYR 20 -2.105 -24.322 -8.332 136 HB3 TYR 20 HB1 TYR 20 -1.802 -23.463 -9.843 137 HD1 TYR 20 HD1 TYR 20 -0.421 -24.457 -6.598 138 HD2 TYR 20 HD2 TYR 20 0.270 -22.151 -10.156 139 HE1 TYR 20 HE1 TYR 20 1.983 -24.279 -6.017 140 HE2 TYR 20 HE2 TYR 20 2.673 -21.971 -9.574 141 HH TYR 20 HH TYR 20 4.332 -23.142 -8.237 142 H VAL 21 HN VAL 21 -3.550 -21.128 -10.247 143 HA VAL 21 HA VAL 21 -6.273 -21.886 -9.432 144 HB VAL 21 HB VAL 21 -5.300 -19.937 -11.536 145 HG11 VAL 21 HG11 VAL 21 -7.676 -19.291 -11.692 146 HG12 VAL 21 HG12 VAL 21 -8.100 -20.552 -10.535 147 HG13 VAL 21 HG13 VAL 21 -7.464 -20.988 -12.121 148 HG21 VAL 21 HG21 VAL 21 -6.492 -19.604 -8.771 149 HG22 VAL 21 HG22 VAL 21 -6.355 -18.286 -9.936 150 HG23 VAL 21 HG23 VAL 21 -4.900 -19.073 -9.316 151 H GLU 22 HN GLU 22 -7.280 -23.524 -10.390 152 HA GLU 22 HA GLU 22 -6.074 -25.021 -12.498 153 HB2 GLU 22 HB2 GLU 22 -8.835 -25.081 -11.266 154 HB3 GLU 22 HB1 GLU 22 -8.314 -26.205 -12.522 155 HG2 GLU 22 HG2 GLU 22 -6.545 -27.053 -11.121 156 HG3 GLU 22 HG1 GLU 22 -6.838 -25.808 -9.908 157 H ALA 23 HN ALA 23 -6.480 -25.003 -14.677 158 HA ALA 23 HA ALA 23 -7.271 -22.683 -15.949 159 HB1 ALA 23 HB1 ALA 23 -7.993 -24.919 -17.600 160 HB2 ALA 23 HB2 ALA 23 -6.501 -25.292 -16.736 161 HB3 ALA 23 HB3 ALA 23 -6.600 -23.847 -17.742 162 H GLY 24 HN GLY 24 -9.153 -21.739 -16.411 163 HA2 GLY 24 HA2 GLY 24 -11.425 -21.444 -16.759 164 HA3 GLY 24 HA1 GLY 24 -11.606 -23.196 -16.743 165 H GLN 25 HN GLN 25 -9.948 -21.928 -14.017 166 HA GLN 25 HA GLN 25 -12.441 -22.119 -12.432 167 HB2 GLN 25 HB2 GLN 25 -9.648 -22.959 -11.620 168 HB3 GLN 25 HB1 GLN 25 -11.077 -23.013 -10.588 169 HG2 GLN 25 HG2 GLN 25 -10.716 -24.519 -13.195 170 HG3 GLN 25 HG1 GLN 25 -10.659 -25.223 -11.581 171 HE21 GLN 25 HE21 GLN 25 -12.703 -24.947 -14.155 172 HE22 GLN 25 HE22 GLN 25 -14.194 -24.970 -13.343 173 H GLN 26 HN GLN 26 -12.690 -20.727 -10.691 174 HA GLN 26 HA GLN 26 -11.581 -18.126 -11.025 175 HB2 GLN 26 HB2 GLN 26 -12.948 -17.491 -9.169 176 HB3 GLN 26 HB1 GLN 26 -13.870 -18.672 -10.100 177 HG2 GLN 26 HG2 GLN 26 -13.060 -20.458 -8.552 178 HG3 GLN 26 HG1 GLN 26 -12.271 -19.215 -7.583 179 HE21 GLN 26 HE21 GLN 26 -13.530 -18.320 -5.941 180 HE22 GLN 26 HE22 GLN 26 -15.224 -18.409 -5.864 181 H PHE 27 HN PHE 27 -10.695 -16.927 -9.073 182 HA PHE 27 HA PHE 27 -8.493 -18.521 -7.914 183 HB2 PHE 27 HB2 PHE 27 -7.655 -16.738 -9.290 184 HB3 PHE 27 HB1 PHE 27 -8.728 -15.567 -8.522 185 HD1 PHE 27 HD1 PHE 27 -5.847 -17.849 -7.894 186 HD2 PHE 27 HD2 PHE 27 -8.116 -14.477 -6.506 187 HE1 PHE 27 HE1 PHE 27 -4.126 -17.403 -6.166 188 HE2 PHE 27 HE2 PHE 27 -6.396 -14.032 -4.776 189 HZ PHE 27 HZ PHE 27 -4.399 -15.495 -4.607 190 H ASP 28 HN ASP 28 -8.618 -18.962 -5.811 191 HA ASP 28 HA ASP 28 -10.535 -17.527 -4.139 192 HB2 ASP 28 HB2 ASP 28 -10.400 -19.992 -4.012 193 HB3 ASP 28 HB1 ASP 28 -8.724 -19.865 -3.484 194 H ASP 29 HN ASP 29 -9.705 -15.540 -3.661 195 HA ASP 29 HA ASP 29 -6.945 -15.117 -3.030 196 HB2 ASP 29 HB2 ASP 29 -7.649 -12.830 -2.520 197 HB3 ASP 29 HB1 ASP 29 -8.328 -13.370 -4.053 198 H SER 30 HN SER 30 -9.626 -16.204 -1.177 199 HA SER 30 HA SER 30 -8.943 -15.080 1.332 200 HB2 SER 30 HB2 SER 30 -10.336 -16.851 2.293 201 HB3 SER 30 HB1 SER 30 -11.124 -16.141 0.886 202 HG SER 30 HG SER 30 -10.993 -18.000 -0.077 203 H ALA 31 HN ALA 31 -8.006 -18.124 -0.256 204 HA ALA 31 HA ALA 31 -6.465 -19.110 1.919 205 HB1 ALA 31 HB1 ALA 31 -6.381 -20.923 0.609 206 HB2 ALA 31 HB2 ALA 31 -5.485 -20.037 -0.625 207 HB3 ALA 31 HB3 ALA 31 -7.249 -20.021 -0.634 208 H TYR 32 HN TYR 32 -5.706 -17.196 -0.948 209 HA TYR 32 HA TYR 32 -2.907 -17.201 -0.744 210 HB2 TYR 32 HB2 TYR 32 -4.143 -16.394 -2.719 211 HB3 TYR 32 HB1 TYR 32 -4.715 -15.009 -1.789 212 HD1 TYR 32 HD1 TYR 32 -1.806 -16.578 -3.404 213 HD2 TYR 32 HD2 TYR 32 -3.189 -13.215 -1.122 214 HE1 TYR 32 HE1 TYR 32 0.289 -15.358 -3.932 215 HE2 TYR 32 HE2 TYR 32 -1.098 -11.993 -1.652 216 HH TYR 32 HH TYR 32 0.664 -12.152 -3.657 217 H GLU 33 HN GLU 33 -5.289 -14.877 0.536 218 HA GLU 33 HA GLU 33 -3.296 -13.292 1.864 219 HB2 GLU 33 HB2 GLU 33 -5.139 -12.068 2.808 220 HB3 GLU 33 HB1 GLU 33 -5.543 -12.431 1.131 221 HG2 GLU 33 HG2 GLU 33 -7.505 -12.994 2.301 222 HG3 GLU 33 HG1 GLU 33 -6.697 -14.545 2.084 223 H GLU 34 HN GLU 34 -5.227 -16.066 2.678 224 HA GLU 34 HA GLU 34 -5.087 -15.940 5.484 225 HB2 GLU 34 HB2 GLU 34 -6.544 -17.515 4.287 226 HB3 GLU 34 HB1 GLU 34 -5.129 -18.396 3.714 227 HG2 GLU 34 HG2 GLU 34 -4.481 -18.895 6.033 228 HG3 GLU 34 HG1 GLU 34 -5.874 -17.993 6.624 229 H ALA 35 HN ALA 35 -2.910 -17.632 3.190 230 HA ALA 35 HA ALA 35 -1.102 -18.473 5.242 231 HB1 ALA 35 HB1 ALA 35 0.317 -18.439 2.839 232 HB2 ALA 35 HB2 ALA 35 -1.354 -18.746 2.362 233 HB3 ALA 35 HB3 ALA 35 -0.559 -19.809 3.523 234 H TYR 36 HN TYR 36 -1.031 -15.882 2.830 235 HA TYR 36 HA TYR 36 1.482 -14.832 3.744 236 HB2 TYR 36 HB2 TYR 36 -0.614 -13.764 1.852 237 HB3 TYR 36 HB1 TYR 36 0.884 -12.906 2.219 238 HD1 TYR 36 HD1 TYR 36 -0.371 -14.591 -0.344 239 HD2 TYR 36 HD2 TYR 36 2.836 -15.071 2.473 240 HE1 TYR 36 HE1 TYR 36 0.843 -16.020 -1.968 241 HE2 TYR 36 HE2 TYR 36 4.051 -16.495 0.849 242 HH TYR 36 HH TYR 36 4.109 -16.833 -1.617 243 H GLY 37 HN GLY 37 -1.838 -14.331 4.573 244 HA2 GLY 37 HA2 GLY 37 -2.752 -13.168 6.354 245 HA3 GLY 37 HA1 GLY 37 -1.121 -12.706 6.830 246 H VAL 38 HN VAL 38 -2.080 -12.087 3.570 247 HA VAL 38 HA VAL 38 -2.600 -9.253 4.240 248 HB VAL 38 HB VAL 38 -1.273 -8.593 2.258 249 HG11 VAL 38 HG11 VAL 38 -0.327 -9.593 4.759 250 HG12 VAL 38 HG12 VAL 38 0.402 -8.352 3.741 251 HG13 VAL 38 HG13 VAL 38 0.847 -10.044 3.521 252 HG21 VAL 38 HG21 VAL 38 -1.536 -10.788 1.069 253 HG22 VAL 38 HG22 VAL 38 -0.415 -11.503 2.228 254 HG23 VAL 38 HG23 VAL 38 0.135 -10.230 1.138 255 H SER 39 HN SER 39 -4.137 -8.244 3.083 256 HA SER 39 HA SER 39 -6.089 -9.773 1.720 257 HB2 SER 39 HB2 SER 39 -5.668 -6.781 1.818 258 HB3 SER 39 HB1 SER 39 -7.109 -7.573 1.186 259 HG SER 39 HG SER 39 -7.443 -7.055 3.342 260 H VAL 40 HN VAL 40 -6.640 -9.916 -0.429 261 HA VAL 40 HA VAL 40 -4.512 -9.175 -2.338 262 HB VAL 40 HB VAL 40 -6.676 -11.274 -2.566 263 HG11 VAL 40 HG11 VAL 40 -4.415 -10.410 -4.375 264 HG12 VAL 40 HG12 VAL 40 -6.130 -10.539 -4.764 265 HG13 VAL 40 HG13 VAL 40 -5.172 -11.997 -4.510 266 HG21 VAL 40 HG21 VAL 40 -4.549 -11.463 -0.951 267 HG22 VAL 40 HG22 VAL 40 -3.763 -11.908 -2.466 268 HG23 VAL 40 HG23 VAL 40 -5.137 -12.846 -1.876 269 HA PRO 41 HA PRO 41 -7.441 -6.061 -3.740 270 HB2 PRO 41 HB2 PRO 41 -5.489 -6.019 -6.003 271 HB3 PRO 41 HB1 PRO 41 -6.116 -4.673 -5.031 272 HG2 PRO 41 HG2 PRO 41 -3.654 -5.556 -4.659 273 HG3 PRO 41 HG1 PRO 41 -4.664 -5.091 -3.277 274 HD2 PRO 41 HD2 PRO 41 -3.974 -7.845 -4.263 275 HD3 PRO 41 HD1 PRO 41 -4.131 -7.253 -2.593 276 H SER 42 HN SER 42 -9.209 -6.240 -5.069 277 HA SER 42 HA SER 42 -9.792 -8.634 -6.386 278 HB2 SER 42 HB2 SER 42 -11.747 -7.464 -7.273 279 HB3 SER 42 HB1 SER 42 -11.502 -7.055 -5.578 280 HG SER 42 HG SER 42 -11.245 -5.506 -7.864 281 H ALA 43 HN ALA 43 -8.340 -5.659 -7.614 282 HA ALA 43 HA ALA 43 -8.672 -6.154 -10.362 283 HB1 ALA 43 HB1 ALA 43 -6.828 -4.509 -8.705 284 HB2 ALA 43 HB2 ALA 43 -7.884 -4.025 -10.030 285 HB3 ALA 43 HB3 ALA 43 -6.350 -4.825 -10.371 286 H VAL 44 HN VAL 44 -6.146 -7.164 -8.090 287 HA VAL 44 HA VAL 44 -4.469 -8.424 -10.006 288 HB VAL 44 HB VAL 44 -4.791 -8.819 -7.026 289 HG11 VAL 44 HG11 VAL 44 -2.849 -10.195 -7.054 290 HG12 VAL 44 HG12 VAL 44 -2.504 -9.804 -8.739 291 HG13 VAL 44 HG13 VAL 44 -3.882 -10.830 -8.335 292 HG21 VAL 44 HG21 VAL 44 -2.400 -7.647 -8.404 293 HG22 VAL 44 HG22 VAL 44 -3.043 -7.304 -6.798 294 HG23 VAL 44 HG23 VAL 44 -3.844 -6.649 -8.226 295 H VAL 45 HN VAL 45 -7.090 -9.573 -7.932 296 HA VAL 45 HA VAL 45 -6.906 -12.317 -8.502 297 HB VAL 45 HB VAL 45 -9.243 -10.589 -7.677 298 HG11 VAL 45 HG11 VAL 45 -9.037 -13.506 -8.304 299 HG12 VAL 45 HG12 VAL 45 -10.394 -12.405 -8.531 300 HG13 VAL 45 HG13 VAL 45 -10.021 -13.022 -6.923 301 HG21 VAL 45 HG21 VAL 45 -8.558 -12.382 -5.665 302 HG22 VAL 45 HG22 VAL 45 -8.102 -10.679 -5.723 303 HG23 VAL 45 HG23 VAL 45 -6.998 -11.910 -6.339 304 H GLU 46 HN GLU 46 -8.685 -9.715 -10.174 305 HA GLU 46 HA GLU 46 -10.188 -11.365 -11.883 306 HB2 GLU 46 HB2 GLU 46 -9.102 -8.569 -12.277 307 HB3 GLU 46 HB1 GLU 46 -10.227 -9.346 -13.390 308 HG2 GLU 46 HG2 GLU 46 -10.754 -8.971 -10.430 309 HG3 GLU 46 HG1 GLU 46 -11.358 -7.892 -11.688 310 H GLU 47 HN GLU 47 -6.940 -9.939 -12.309 311 HA GLU 47 HA GLU 47 -6.491 -10.874 -14.915 312 HB2 GLU 47 HB2 GLU 47 -4.583 -10.300 -12.642 313 HB3 GLU 47 HB1 GLU 47 -4.045 -10.724 -14.268 314 HG2 GLU 47 HG2 GLU 47 -5.144 -8.800 -15.212 315 HG3 GLU 47 HG1 GLU 47 -5.929 -8.430 -13.678 316 H MET 48 HN MET 48 -5.930 -12.412 -11.764 317 HA MET 48 HA MET 48 -4.617 -14.715 -12.755 318 HB2 MET 48 HB2 MET 48 -6.256 -14.251 -10.254 319 HB3 MET 48 HB1 MET 48 -5.357 -15.733 -10.575 320 HG2 MET 48 HG2 MET 48 -4.161 -12.950 -10.444 321 HG3 MET 48 HG1 MET 48 -4.037 -14.176 -9.183 322 HE1 MET 48 HE1 MET 48 -2.377 -13.819 -13.280 323 HE2 MET 48 HE2 MET 48 -1.524 -12.875 -12.062 324 HE3 MET 48 HE3 MET 48 -3.269 -12.706 -12.235 325 H ASN 49 HN ASN 49 -8.024 -13.959 -12.129 326 HA ASN 49 HA ASN 49 -9.028 -16.551 -12.737 327 HB2 ASN 49 HB2 ASN 49 -10.312 -13.819 -12.696 328 HB3 ASN 49 HB1 ASN 49 -11.212 -15.293 -13.048 329 HD21 ASN 49 HD21 ASN 49 -11.725 -13.664 -10.709 330 HD22 ASN 49 HD22 ASN 49 -11.321 -14.588 -9.343 331 H ALA 50 HN ALA 50 -8.623 -13.596 -14.672 332 HA ALA 50 HA ALA 50 -9.814 -14.611 -17.038 333 HB1 ALA 50 HB1 ALA 50 -9.220 -12.171 -16.434 334 HB2 ALA 50 HB2 ALA 50 -8.988 -12.684 -18.106 335 HB3 ALA 50 HB3 ALA 50 -7.604 -12.568 -17.017 336 H LYS 51 HN LYS 51 -6.477 -14.491 -15.885 337 HA LYS 51 HA LYS 51 -5.266 -15.625 -18.164 338 HB2 LYS 51 HB2 LYS 51 -4.443 -15.466 -15.264 339 HB3 LYS 51 HB1 LYS 51 -3.400 -16.129 -16.524 340 HG2 LYS 51 HG2 LYS 51 -3.224 -14.075 -17.645 341 HG3 LYS 51 HG1 LYS 51 -4.684 -13.434 -16.894 342 HD2 LYS 51 HD2 LYS 51 -2.739 -12.365 -15.895 343 HD3 LYS 51 HD1 LYS 51 -3.502 -13.413 -14.700 344 HE2 LYS 51 HE2 LYS 51 -1.101 -13.760 -14.631 345 HE3 LYS 51 HE1 LYS 51 -1.865 -15.203 -15.295 346 HZ1 LYS 51 HZ1 LYS 51 -1.272 -13.321 -17.337 347 HZ2 LYS 51 HZ2 LYS 51 -0.779 -14.940 -17.193 348 HZ3 LYS 51 HZ3 LYS 51 0.127 -13.705 -16.458 349 H ALA 52 HN ALA 52 -6.605 -17.043 -15.210 350 HA ALA 52 HA ALA 52 -5.797 -19.709 -15.695 351 HB1 ALA 52 HB1 ALA 52 -6.576 -19.661 -13.570 352 HB2 ALA 52 HB2 ALA 52 -8.151 -19.955 -14.309 353 HB3 ALA 52 HB3 ALA 52 -7.662 -18.312 -13.899 354 H ALA 53 HN ALA 53 -8.571 -17.802 -16.704 355 HA ALA 53 HA ALA 53 -10.124 -19.900 -17.808 356 HB1 ALA 53 HB1 ALA 53 -10.085 -17.018 -18.714 357 HB2 ALA 53 HB2 ALA 53 -10.925 -17.570 -17.264 358 HB3 ALA 53 HB3 ALA 53 -11.413 -18.171 -18.846 359 H GLN 54 HN GLN 54 -7.581 -17.833 -19.120 360 HA GLN 54 HA GLN 54 -7.898 -18.860 -21.808 361 HB2 GLN 54 HB2 GLN 54 -6.017 -17.482 -22.397 362 HB3 GLN 54 HB1 GLN 54 -7.059 -16.548 -21.324 363 HG2 GLN 54 HG2 GLN 54 -5.615 -16.909 -19.458 364 HG3 GLN 54 HG1 GLN 54 -4.678 -18.122 -20.329 365 HE21 GLN 54 HE21 GLN 54 -4.881 -14.757 -19.611 366 HE22 GLN 54 HE22 GLN 54 -3.706 -14.229 -20.714 367 H LEU 55 HN LEU 55 -6.169 -19.759 -18.963 368 HA LEU 55 HA LEU 55 -4.091 -21.259 -20.234 369 HB2 LEU 55 HB2 LEU 55 -5.219 -21.282 -17.434 370 HB3 LEU 55 HB1 LEU 55 -3.893 -22.330 -17.939 371 HG LEU 55 HG LEU 55 -3.837 -19.324 -18.291 372 HD11 LEU 55 HD11 LEU 55 -3.667 -19.284 -16.019 373 HD12 LEU 55 HD12 LEU 55 -2.035 -19.887 -16.309 374 HD13 LEU 55 HD13 LEU 55 -3.336 -21.014 -15.921 375 HD21 LEU 55 HD21 LEU 55 -2.249 -20.304 -19.730 376 HD22 LEU 55 HD22 LEU 55 -1.875 -21.592 -18.586 377 HD23 LEU 55 HD23 LEU 55 -1.309 -19.950 -18.280 378 H LYS 56 HN LYS 56 -3.950 -23.398 -20.694 379 HA LYS 56 HA LYS 56 -6.481 -24.851 -20.934 380 HB2 LYS 56 HB2 LYS 56 -3.718 -25.438 -22.027 381 HB3 LYS 56 HB1 LYS 56 -5.159 -26.403 -22.346 382 HG2 LYS 56 HG2 LYS 56 -6.249 -24.503 -23.413 383 HG3 LYS 56 HG1 LYS 56 -4.894 -23.454 -22.995 384 HD2 LYS 56 HD2 LYS 56 -4.625 -24.128 -25.304 385 HD3 LYS 56 HD1 LYS 56 -3.403 -24.967 -24.347 386 HE2 LYS 56 HE2 LYS 56 -4.804 -26.977 -24.273 387 HE3 LYS 56 HE1 LYS 56 -6.072 -26.145 -25.174 388 HZ1 LYS 56 HZ1 LYS 56 -5.033 -27.070 -26.920 389 HZ2 LYS 56 HZ2 LYS 56 -3.553 -27.247 -26.103 390 HZ3 LYS 56 HZ3 LYS 56 -3.986 -25.745 -26.770 391 H ASP 57 HN ASP 57 -6.257 -27.314 -20.567 392 HA ASP 57 HA ASP 57 -5.703 -27.765 -17.827 393 HB2 ASP 57 HB2 ASP 57 -6.219 -29.641 -20.137 394 HB3 ASP 57 HB1 ASP 57 -5.989 -30.204 -18.483 395 H GLY 58 HN GLY 58 -4.054 -29.023 -16.849 396 HA2 GLY 58 HA2 GLY 58 -1.990 -30.128 -16.737 397 HA3 GLY 58 HA1 GLY 58 -1.768 -29.840 -18.460 398 H GLU 59 HN GLU 59 -2.775 -27.066 -16.817 399 HA GLU 59 HA GLU 59 0.001 -26.140 -16.434 400 HB2 GLU 59 HB2 GLU 59 -2.218 -24.696 -17.885 401 HB3 GLU 59 HB1 GLU 59 -0.750 -23.901 -17.313 402 HG2 GLU 59 HG2 GLU 59 -0.183 -24.474 -19.515 403 HG3 GLU 59 HG1 GLU 59 0.491 -25.810 -18.584 404 H TRP 60 HN TRP 60 0.309 -24.568 -14.832 405 HA TRP 60 HA TRP 60 -2.016 -24.003 -13.105 406 HB2 TRP 60 HB2 TRP 60 0.726 -24.946 -12.243 407 HB3 TRP 60 HB1 TRP 60 -0.446 -24.227 -11.141 408 HD1 TRP 60 HD1 TRP 60 0.395 -27.418 -12.931 409 HE1 TRP 60 HE1 TRP 60 -1.292 -29.252 -12.275 410 HE3 TRP 60 HE3 TRP 60 -3.048 -24.589 -10.451 411 HZ2 TRP 60 HZ2 TRP 60 -3.773 -29.487 -10.875 412 HZ3 TRP 60 HZ3 TRP 60 -5.062 -25.643 -9.461 413 HH2 TRP 60 HH2 TRP 60 -5.428 -28.086 -9.671 414 H LEU 61 HN LEU 61 -2.093 -21.960 -12.269 415 HA LEU 61 HA LEU 61 -0.047 -20.085 -13.245 416 HB2 LEU 61 HB2 LEU 61 -2.404 -19.585 -13.804 417 HB3 LEU 61 HB1 LEU 61 -2.794 -19.544 -12.083 418 HG LEU 61 HG LEU 61 -1.169 -17.709 -11.760 419 HD11 LEU 61 HD11 LEU 61 0.428 -17.355 -13.306 420 HD12 LEU 61 HD12 LEU 61 -0.809 -16.917 -14.485 421 HD13 LEU 61 HD13 LEU 61 -0.293 -18.597 -14.332 422 HD21 LEU 61 HD21 LEU 61 -2.411 -15.976 -13.104 423 HD22 LEU 61 HD22 LEU 61 -3.469 -17.072 -12.215 424 HD23 LEU 61 HD23 LEU 61 -3.229 -17.289 -13.949 425 H ASN 62 HN ASN 62 1.238 -18.925 -11.840 426 HA ASN 62 HA ASN 62 0.997 -19.662 -9.000 427 HB2 ASN 62 HB2 ASN 62 3.149 -20.176 -10.042 428 HB3 ASN 62 HB1 ASN 62 3.323 -18.497 -10.548 429 HD21 ASN 62 HD21 ASN 62 3.174 -20.595 -7.657 430 HD22 ASN 62 HD22 ASN 62 3.951 -19.492 -6.626 431 H VAL 63 HN VAL 63 0.343 -18.211 -7.557 432 HA VAL 63 HA VAL 63 0.376 -15.352 -8.326 433 HB VAL 63 HB VAL 63 -1.580 -16.821 -6.537 434 HG11 VAL 63 HG11 VAL 63 -1.647 -13.939 -7.469 435 HG12 VAL 63 HG12 VAL 63 -1.001 -14.428 -5.902 436 HG13 VAL 63 HG13 VAL 63 -2.699 -14.710 -6.282 437 HG21 VAL 63 HG21 VAL 63 -2.858 -17.086 -8.377 438 HG22 VAL 63 HG22 VAL 63 -1.474 -16.570 -9.340 439 HG23 VAL 63 HG23 VAL 63 -2.670 -15.389 -8.809 440 H SER 64 HN SER 64 1.585 -14.055 -7.072 441 HA SER 64 HA SER 64 1.946 -14.604 -4.248 442 HB2 SER 64 HB2 SER 64 4.365 -14.721 -4.334 443 HB3 SER 64 HB1 SER 64 3.704 -15.984 -5.368 444 HG SER 64 HG SER 64 4.990 -13.584 -6.037 445 H HIS 65 HN HIS 65 3.483 -12.838 -3.317 446 HA HIS 65 HA HIS 65 3.288 -10.346 -4.863 447 HB2 HIS 65 HB2 HIS 65 2.292 -9.138 -3.039 448 HB3 HIS 65 HB1 HIS 65 1.294 -10.562 -3.332 449 HD1 HIS 65 HD1 HIS 65 1.706 -12.638 -1.678 450 HD2 HIS 65 HD2 HIS 65 3.404 -9.024 -0.479 451 HE1 HIS 65 HE1 HIS 65 2.283 -12.896 0.774 452 H GLU 66 HN GLU 66 4.670 -8.597 -3.954 453 HA GLU 66 HA GLU 66 7.132 -9.734 -2.899 454 HB2 GLU 66 HB2 GLU 66 7.071 -8.129 -4.849 455 HB3 GLU 66 HB1 GLU 66 6.580 -6.877 -3.709 456 HG2 GLU 66 HG2 GLU 66 9.018 -8.549 -3.157 457 HG3 GLU 66 HG1 GLU 66 9.120 -7.164 -4.243 458 H ALA 67 HN ALA 67 7.747 -9.570 -0.835 459 HA ALA 67 HA ALA 67 6.753 -7.378 0.824 460 HB1 ALA 67 HB1 ALA 67 5.593 -9.972 0.923 461 HB2 ALA 67 HB2 ALA 67 5.283 -8.600 1.987 462 HB3 ALA 67 HB3 ALA 67 6.547 -9.763 2.392 Start of MODEL 19 1 H MET 1 HT1 MET 1 3.725 -0.946 0.486 2 HA MET 1 HA MET 1 5.333 -1.002 -1.887 3 HB2 MET 1 HB2 MET 1 5.708 -1.709 1.034 4 HG2 MET 1 HG2 MET 1 6.795 0.571 -0.643 5 HE1 MET 1 HE1 MET 1 8.902 -0.057 -0.123 6 HE2 MET 1 HE2 MET 1 8.987 -1.248 1.175 7 HE3 MET 1 HE3 MET 1 9.780 0.314 1.369 8 H THR 2 HN THR 2 3.023 -2.921 -1.724 9 HA THR 2 HA THR 2 4.560 -5.445 -1.845 10 HB THR 2 HB THR 2 1.605 -5.039 -1.319 11 HG1 THR 2 HG1 THR 2 3.450 -6.189 0.448 12 HG21 THR 2 HG21 THR 2 1.505 -7.427 -1.012 13 HG22 THR 2 HG22 THR 2 3.255 -7.576 -1.183 14 HG23 THR 2 HG23 THR 2 2.267 -7.133 -2.576 15 H THR 3 HN THR 3 4.728 -6.417 -3.755 16 HA THR 3 HA THR 3 2.910 -5.572 -5.936 17 HB THR 3 HB THR 3 5.824 -6.378 -6.098 18 HG1 THR 3 HG1 THR 3 5.985 -4.335 -5.652 19 HG21 THR 3 HG21 THR 3 3.671 -6.226 -8.087 20 HG22 THR 3 HG22 THR 3 5.244 -7.015 -8.187 21 HG23 THR 3 HG23 THR 3 5.101 -5.288 -8.519 22 H PHE 4 HN PHE 4 1.740 -7.126 -6.870 23 HA PHE 4 HA PHE 4 2.357 -9.914 -6.176 24 HB2 PHE 4 HB2 PHE 4 -0.156 -8.601 -7.238 25 HB3 PHE 4 HB1 PHE 4 0.021 -10.325 -6.931 26 HD1 PHE 4 HD1 PHE 4 -0.266 -7.000 -5.406 27 HD2 PHE 4 HD2 PHE 4 0.234 -11.197 -4.646 28 HE1 PHE 4 HE1 PHE 4 -0.808 -6.631 -3.013 29 HE2 PHE 4 HE2 PHE 4 -0.307 -10.829 -2.253 30 HZ PHE 4 HZ PHE 4 -0.826 -8.546 -1.437 31 H THR 5 HN THR 5 2.928 -11.363 -7.694 32 HA THR 5 HA THR 5 2.628 -10.641 -10.537 33 HB THR 5 HB THR 5 4.927 -10.050 -9.764 34 HG1 THR 5 HG1 THR 5 5.424 -12.207 -11.365 35 HG21 THR 5 HG21 THR 5 6.309 -12.350 -9.547 36 HG22 THR 5 HG22 THR 5 4.778 -12.867 -8.839 37 HG23 THR 5 HG23 THR 5 5.653 -11.500 -8.148 38 H SER 6 HN SER 6 2.891 -12.462 -11.986 39 HA SER 6 HA SER 6 2.730 -15.121 -10.806 40 HB2 SER 6 HB2 SER 6 0.603 -15.660 -11.880 41 HB3 SER 6 HB1 SER 6 0.394 -14.295 -10.786 42 HG SER 6 HG SER 6 -0.484 -14.165 -13.039 43 H ILE 7 HN ILE 7 2.828 -16.832 -12.385 44 HA ILE 7 HA ILE 7 3.703 -16.044 -15.074 45 HB ILE 7 HB ILE 7 5.629 -17.563 -14.920 46 HG12 ILE 7 HG12 ILE 7 4.954 -17.773 -11.973 47 HG13 ILE 7 HG11 ILE 7 4.572 -19.028 -13.153 48 HG21 ILE 7 HG21 ILE 7 6.191 -15.991 -12.523 49 HG22 ILE 7 HG22 ILE 7 5.391 -15.040 -13.774 50 HG23 ILE 7 HG23 ILE 7 6.906 -15.873 -14.132 51 HD11 ILE 7 HD11 ILE 7 7.011 -19.097 -13.767 52 HD12 ILE 7 HD12 ILE 7 6.683 -19.600 -12.108 53 HD13 ILE 7 HD13 ILE 7 7.326 -17.990 -12.431 54 H VAL 8 HN VAL 8 3.690 -17.958 -16.568 55 HA VAL 8 HA VAL 8 1.551 -19.802 -15.726 56 HB VAL 8 HB VAL 8 1.039 -18.515 -17.719 57 HG11 VAL 8 HG11 VAL 8 2.573 -18.054 -19.312 58 HG12 VAL 8 HG12 VAL 8 3.026 -19.751 -19.466 59 HG13 VAL 8 HG13 VAL 8 3.769 -18.748 -18.221 60 HG21 VAL 8 HG21 VAL 8 1.471 -20.884 -19.245 61 HG22 VAL 8 HG22 VAL 8 -0.012 -20.375 -18.437 62 HG23 VAL 8 HG23 VAL 8 1.159 -21.379 -17.582 63 H THR 9 HN THR 9 2.431 -21.512 -14.809 64 HA THR 9 HA THR 9 3.992 -23.342 -16.437 65 HB THR 9 HB THR 9 5.611 -21.808 -15.043 66 HG1 THR 9 HG1 THR 9 6.177 -23.784 -16.076 67 HG21 THR 9 HG21 THR 9 5.921 -22.540 -12.743 68 HG22 THR 9 HG22 THR 9 4.669 -23.771 -12.931 69 HG23 THR 9 HG23 THR 9 4.237 -22.060 -12.957 70 H THR 10 HN THR 10 3.931 -25.559 -15.425 71 HA THR 10 HA THR 10 1.885 -25.635 -13.287 72 HB THR 10 HB THR 10 0.635 -26.475 -15.032 73 HG1 THR 10 HG1 THR 10 1.901 -28.907 -14.709 74 HG21 THR 10 HG21 THR 10 1.786 -26.544 -16.984 75 HG22 THR 10 HG22 THR 10 2.096 -28.231 -16.574 76 HG23 THR 10 HG23 THR 10 3.288 -26.997 -16.180 77 H ASN 11 HN ASN 11 3.492 -25.869 -11.685 78 HA ASN 11 HA ASN 11 4.709 -28.559 -11.622 79 HB2 ASN 11 HB2 ASN 11 5.987 -25.969 -10.721 80 HB3 ASN 11 HB1 ASN 11 6.686 -27.577 -10.536 81 HD21 ASN 11 HD21 ASN 11 6.374 -24.910 -12.693 82 HD22 ASN 11 HD22 ASN 11 7.055 -25.654 -14.058 83 HA PRO 12 HA PRO 12 2.116 -27.587 -7.832 84 HB2 PRO 12 HB2 PRO 12 0.823 -30.038 -7.936 85 HB3 PRO 12 HB1 PRO 12 0.189 -28.539 -8.638 86 HG2 PRO 12 HG2 PRO 12 1.619 -30.790 -9.965 87 HG3 PRO 12 HG1 PRO 12 0.246 -29.825 -10.541 88 HD2 PRO 12 HD2 PRO 12 2.761 -29.374 -11.447 89 HD3 PRO 12 HD1 PRO 12 1.599 -28.048 -11.214 90 H ASP 13 HN ASP 13 3.460 -27.875 -6.157 91 HA ASP 13 HA ASP 13 4.581 -30.570 -5.686 92 HB2 ASP 13 HB2 ASP 13 5.908 -27.881 -5.339 93 HB3 ASP 13 HB1 ASP 13 6.528 -29.358 -4.603 94 H PHE 14 HN PHE 14 4.337 -31.390 -3.665 95 HA PHE 14 HA PHE 14 2.854 -29.736 -1.736 96 HB2 PHE 14 HB2 PHE 14 3.284 -32.731 -1.880 97 HB3 PHE 14 HB1 PHE 14 2.345 -31.903 -0.638 98 HD1 PHE 14 HD1 PHE 14 0.237 -30.740 -1.212 99 HD2 PHE 14 HD2 PHE 14 2.441 -32.991 -4.132 100 HE1 PHE 14 HE1 PHE 14 -1.743 -30.741 -2.706 101 HE2 PHE 14 HE2 PHE 14 0.460 -32.992 -5.626 102 HZ PHE 14 HZ PHE 14 -1.631 -31.867 -4.912 103 H GLY 15 HN GLY 15 5.950 -30.146 -2.363 104 HA2 GLY 15 HA2 GLY 15 6.874 -30.850 0.326 105 HA3 GLY 15 HA1 GLY 15 7.887 -30.580 -1.089 106 H GLY 16 HN GLY 16 5.595 -28.182 -0.967 107 HA2 GLY 16 HA2 GLY 16 6.905 -26.424 0.930 108 HA3 GLY 16 HA1 GLY 16 7.195 -26.007 -0.758 109 H PHE 17 HN PHE 17 6.023 -24.026 0.318 110 HA PHE 17 HA PHE 17 3.104 -24.366 0.143 111 HB2 PHE 17 HB2 PHE 17 2.990 -22.164 1.243 112 HB3 PHE 17 HB1 PHE 17 3.943 -23.304 2.194 113 HD1 PHE 17 HD1 PHE 17 4.047 -20.301 0.072 114 HD2 PHE 17 HD2 PHE 17 6.380 -23.107 2.339 115 HE1 PHE 17 HE1 PHE 17 5.994 -18.768 -0.034 116 HE2 PHE 17 HE2 PHE 17 8.326 -21.573 2.233 117 HZ PHE 17 HZ PHE 17 8.134 -19.403 1.047 118 H GLU 18 HN GLU 18 2.179 -23.861 -1.714 119 HA GLU 18 HA GLU 18 2.912 -21.451 -3.134 120 HB2 GLU 18 HB2 GLU 18 3.197 -24.149 -4.477 121 HB3 GLU 18 HB1 GLU 18 3.324 -22.581 -5.282 122 HG2 GLU 18 HG2 GLU 18 5.219 -21.993 -3.796 123 HG3 GLU 18 HG1 GLU 18 5.107 -23.580 -3.038 124 H PHE 19 HN PHE 19 1.187 -20.666 -4.365 125 HA PHE 19 HA PHE 19 -1.264 -22.311 -4.225 126 HB2 PHE 19 HB2 PHE 19 -1.272 -20.150 -2.947 127 HB3 PHE 19 HB1 PHE 19 -1.073 -19.306 -4.484 128 HD1 PHE 19 HD1 PHE 19 -2.876 -19.217 -6.127 129 HD2 PHE 19 HD2 PHE 19 -3.337 -21.379 -2.443 130 HE1 PHE 19 HE1 PHE 19 -5.318 -19.382 -6.526 131 HE2 PHE 19 HE2 PHE 19 -5.779 -21.540 -2.844 132 HZ PHE 19 HZ PHE 19 -6.768 -20.541 -4.886 133 H TYR 20 HN TYR 20 -2.160 -22.955 -6.073 134 HA TYR 20 HA TYR 20 -1.485 -21.502 -8.559 135 HB2 TYR 20 HB2 TYR 20 -1.682 -24.506 -8.219 136 HB3 TYR 20 HB1 TYR 20 -1.438 -23.662 -9.748 137 HD1 TYR 20 HD1 TYR 20 0.631 -22.194 -10.015 138 HD2 TYR 20 HD2 TYR 20 0.135 -24.984 -6.786 139 HE1 TYR 20 HE1 TYR 20 3.076 -22.154 -9.605 140 HE2 TYR 20 HE2 TYR 20 2.580 -24.944 -6.375 141 HH TYR 20 HH TYR 20 4.606 -24.389 -7.412 142 H VAL 21 HN VAL 21 -3.169 -21.163 -9.959 143 HA VAL 21 HA VAL 21 -5.833 -21.789 -8.960 144 HB VAL 21 HB VAL 21 -4.875 -20.157 -11.324 145 HG11 VAL 21 HG11 VAL 21 -7.508 -21.288 -10.652 146 HG12 VAL 21 HG12 VAL 21 -6.937 -20.598 -12.170 147 HG13 VAL 21 HG13 VAL 21 -7.531 -19.541 -10.889 148 HG21 VAL 21 HG21 VAL 21 -4.936 -19.515 -8.661 149 HG22 VAL 21 HG22 VAL 21 -6.543 -19.002 -9.178 150 HG23 VAL 21 HG23 VAL 21 -5.112 -18.338 -9.965 151 H GLU 22 HN GLU 22 -6.900 -23.551 -9.552 152 HA GLU 22 HA GLU 22 -5.918 -25.328 -11.563 153 HB2 GLU 22 HB2 GLU 22 -8.557 -25.228 -10.077 154 HB3 GLU 22 HB1 GLU 22 -8.059 -26.552 -11.131 155 HG2 GLU 22 HG2 GLU 22 -6.577 -25.612 -8.658 156 HG3 GLU 22 HG1 GLU 22 -7.562 -27.069 -8.771 157 H ALA 23 HN ALA 23 -6.567 -25.568 -13.675 158 HA ALA 23 HA ALA 23 -7.600 -23.404 -15.076 159 HB1 ALA 23 HB1 ALA 23 -7.400 -26.337 -15.707 160 HB2 ALA 23 HB2 ALA 23 -6.487 -24.992 -16.390 161 HB3 ALA 23 HB3 ALA 23 -8.176 -25.229 -16.839 162 H GLY 24 HN GLY 24 -9.594 -22.657 -15.505 163 HA2 GLY 24 HA2 GLY 24 -11.906 -22.594 -15.678 164 HA3 GLY 24 HA1 GLY 24 -11.941 -24.320 -15.337 165 H GLN 25 HN GLN 25 -10.136 -22.474 -13.067 166 HA GLN 25 HA GLN 25 -12.448 -22.509 -11.221 167 HB2 GLN 25 HB2 GLN 25 -9.543 -23.057 -10.571 168 HB3 GLN 25 HB1 GLN 25 -10.860 -22.986 -9.399 169 HG2 GLN 25 HG2 GLN 25 -10.653 -24.925 -11.722 170 HG3 GLN 25 HG1 GLN 25 -10.404 -25.318 -10.022 171 HE21 GLN 25 HE21 GLN 25 -12.690 -25.614 -12.379 172 HE22 GLN 25 HE22 GLN 25 -14.095 -25.550 -11.430 173 H GLN 26 HN GLN 26 -12.568 -20.861 -9.676 174 HA GLN 26 HA GLN 26 -11.341 -18.358 -10.555 175 HB2 GLN 26 HB2 GLN 26 -13.766 -18.411 -10.134 176 HB3 GLN 26 HB1 GLN 26 -13.462 -18.872 -8.459 177 HG2 GLN 26 HG2 GLN 26 -12.259 -16.783 -8.063 178 HG3 GLN 26 HG1 GLN 26 -12.448 -16.327 -9.757 179 HE21 GLN 26 HE21 GLN 26 -13.726 -14.417 -9.208 180 HE22 GLN 26 HE22 GLN 26 -15.318 -14.558 -8.636 181 H PHE 27 HN PHE 27 -9.636 -17.501 -9.602 182 HA PHE 27 HA PHE 27 -8.186 -18.694 -7.536 183 HB2 PHE 27 HB2 PHE 27 -7.159 -17.077 -9.024 184 HB3 PHE 27 HB1 PHE 27 -8.233 -15.806 -8.443 185 HD1 PHE 27 HD1 PHE 27 -7.788 -14.629 -6.419 186 HD2 PHE 27 HD2 PHE 27 -5.480 -18.101 -7.446 187 HE1 PHE 27 HE1 PHE 27 -6.196 -14.108 -4.592 188 HE2 PHE 27 HE2 PHE 27 -3.888 -17.581 -5.616 189 HZ PHE 27 HZ PHE 27 -4.246 -15.586 -4.190 190 H ASP 28 HN ASP 28 -8.530 -18.835 -5.415 191 HA ASP 28 HA ASP 28 -10.618 -17.200 -4.186 192 HB2 ASP 28 HB2 ASP 28 -10.586 -19.632 -3.769 193 HB3 ASP 28 HB1 ASP 28 -8.983 -19.481 -3.049 194 H ASP 29 HN ASP 29 -9.856 -15.196 -3.743 195 HA ASP 29 HA ASP 29 -7.194 -14.659 -2.882 196 HB2 ASP 29 HB2 ASP 29 -8.024 -12.387 -2.476 197 HB3 ASP 29 HB1 ASP 29 -8.569 -12.985 -4.041 198 H SER 30 HN SER 30 -10.024 -15.726 -1.240 199 HA SER 30 HA SER 30 -9.539 -14.619 1.324 200 HB2 SER 30 HB2 SER 30 -10.970 -17.150 0.491 201 HB3 SER 30 HB1 SER 30 -10.978 -16.501 2.130 202 HG SER 30 HG SER 30 -12.016 -15.368 -0.248 203 H ALA 31 HN ALA 31 -8.538 -17.659 -0.206 204 HA ALA 31 HA ALA 31 -7.259 -18.771 2.050 205 HB1 ALA 31 HB1 ALA 31 -6.563 -19.229 -0.856 206 HB2 ALA 31 HB2 ALA 31 -7.886 -20.036 -0.013 207 HB3 ALA 31 HB3 ALA 31 -6.219 -20.307 0.496 208 H TYR 32 HN TYR 32 -6.127 -16.652 -0.510 209 HA TYR 32 HA TYR 32 -3.374 -16.712 0.045 210 HB2 TYR 32 HB2 TYR 32 -4.411 -15.655 -1.964 211 HB3 TYR 32 HB1 TYR 32 -5.014 -14.358 -0.935 212 HD1 TYR 32 HD1 TYR 32 -3.521 -12.673 -0.018 213 HD2 TYR 32 HD2 TYR 32 -1.999 -15.930 -2.369 214 HE1 TYR 32 HE1 TYR 32 -1.343 -11.505 -0.229 215 HE2 TYR 32 HE2 TYR 32 0.178 -14.767 -2.575 216 HH TYR 32 HH TYR 32 1.183 -12.696 -2.350 217 H GLU 33 HN GLU 33 -5.995 -14.752 1.334 218 HA GLU 33 HA GLU 33 -4.457 -13.035 2.977 219 HB2 GLU 33 HB2 GLU 33 -7.317 -13.990 3.268 220 HB3 GLU 33 HB1 GLU 33 -6.606 -12.622 4.130 221 HG2 GLU 33 HG2 GLU 33 -6.080 -11.554 1.958 222 HG3 GLU 33 HG1 GLU 33 -6.855 -12.906 1.131 223 H GLU 34 HN GLU 34 -5.985 -16.167 3.540 224 HA GLU 34 HA GLU 34 -5.606 -16.330 6.312 225 HB2 GLU 34 HB2 GLU 34 -7.050 -17.874 5.079 226 HB3 GLU 34 HB1 GLU 34 -5.642 -18.561 4.270 227 HG2 GLU 34 HG2 GLU 34 -6.282 -19.980 6.158 228 HG3 GLU 34 HG1 GLU 34 -4.723 -19.224 6.481 229 H ALA 35 HN ALA 35 -3.466 -17.348 3.642 230 HA ALA 35 HA ALA 35 -1.437 -18.213 5.550 231 HB1 ALA 35 HB1 ALA 35 -1.355 -18.083 2.527 232 HB2 ALA 35 HB2 ALA 35 -1.815 -19.496 3.477 233 HB3 ALA 35 HB3 ALA 35 -0.167 -18.873 3.564 234 H TYR 36 HN TYR 36 -1.777 -15.742 3.016 235 HA TYR 36 HA TYR 36 0.755 -14.525 3.602 236 HB2 TYR 36 HB2 TYR 36 -1.613 -13.637 1.949 237 HB3 TYR 36 HB1 TYR 36 -0.120 -12.708 2.086 238 HD1 TYR 36 HD1 TYR 36 1.921 -13.434 1.029 239 HD2 TYR 36 HD2 TYR 36 -1.596 -15.896 0.912 240 HE1 TYR 36 HE1 TYR 36 2.988 -14.878 -0.683 241 HE2 TYR 36 HE2 TYR 36 -0.530 -17.340 -0.801 242 HH TYR 36 HH TYR 36 2.578 -16.491 -2.240 243 H GLY 37 HN GLY 37 -2.538 -14.069 4.679 244 HA2 GLY 37 HA2 GLY 37 -3.384 -12.825 6.429 245 HA3 GLY 37 HA1 GLY 37 -1.723 -12.514 6.921 246 H VAL 38 HN VAL 38 -2.690 -11.705 3.688 247 HA VAL 38 HA VAL 38 -2.912 -8.863 4.469 248 HB VAL 38 HB VAL 38 -1.587 -8.264 2.468 249 HG11 VAL 38 HG11 VAL 38 0.064 -8.212 3.998 250 HG12 VAL 38 HG12 VAL 38 0.472 -9.865 3.538 251 HG13 VAL 38 HG13 VAL 38 -0.645 -9.572 4.871 252 HG21 VAL 38 HG21 VAL 38 -1.818 -10.055 0.968 253 HG22 VAL 38 HG22 VAL 38 -1.515 -11.263 2.216 254 HG23 VAL 38 HG23 VAL 38 -0.184 -10.293 1.586 255 H SER 39 HN SER 39 -4.209 -7.581 3.214 256 HA SER 39 HA SER 39 -6.455 -8.823 2.004 257 HB2 SER 39 HB2 SER 39 -6.652 -6.639 3.055 258 HB3 SER 39 HB1 SER 39 -5.515 -5.948 1.902 259 HG SER 39 HG SER 39 -8.181 -6.631 1.610 260 H VAL 40 HN VAL 40 -6.833 -9.447 -0.024 261 HA VAL 40 HA VAL 40 -4.810 -8.822 -2.076 262 HB VAL 40 HB VAL 40 -6.863 -11.041 -1.973 263 HG11 VAL 40 HG11 VAL 40 -4.511 -10.884 -3.842 264 HG12 VAL 40 HG12 VAL 40 -6.016 -10.058 -4.248 265 HG13 VAL 40 HG13 VAL 40 -6.005 -11.806 -4.013 266 HG21 VAL 40 HG21 VAL 40 -5.242 -12.403 -1.098 267 HG22 VAL 40 HG22 VAL 40 -4.615 -10.878 -0.470 268 HG23 VAL 40 HG23 VAL 40 -3.939 -11.568 -1.947 269 HA PRO 41 HA PRO 41 -8.055 -6.185 -3.697 270 HB2 PRO 41 HB2 PRO 41 -6.579 -5.184 -5.774 271 HB3 PRO 41 HB1 PRO 41 -6.438 -4.606 -4.102 272 HG2 PRO 41 HG2 PRO 41 -4.701 -6.505 -5.599 273 HG3 PRO 41 HG1 PRO 41 -4.253 -5.217 -4.469 274 HD2 PRO 41 HD2 PRO 41 -4.317 -7.847 -3.742 275 HD3 PRO 41 HD1 PRO 41 -4.655 -6.527 -2.601 276 H SER 42 HN SER 42 -9.487 -6.259 -5.388 277 HA SER 42 HA SER 42 -9.862 -8.674 -6.754 278 HB2 SER 42 HB2 SER 42 -11.694 -7.142 -6.238 279 HB3 SER 42 HB1 SER 42 -11.022 -5.942 -7.339 280 HG SER 42 HG SER 42 -11.143 -8.061 -8.773 281 H ALA 43 HN ALA 43 -8.382 -5.645 -7.815 282 HA ALA 43 HA ALA 43 -8.322 -6.103 -10.558 283 HB1 ALA 43 HB1 ALA 43 -7.302 -4.118 -10.514 284 HB2 ALA 43 HB2 ALA 43 -5.882 -4.832 -9.750 285 HB3 ALA 43 HB3 ALA 43 -7.211 -4.233 -8.756 286 H VAL 44 HN VAL 44 -5.990 -7.215 -8.080 287 HA VAL 44 HA VAL 44 -4.266 -8.385 -10.080 288 HB VAL 44 HB VAL 44 -3.093 -9.402 -8.152 289 HG11 VAL 44 HG11 VAL 44 -3.654 -6.526 -8.478 290 HG12 VAL 44 HG12 VAL 44 -2.107 -7.368 -8.369 291 HG13 VAL 44 HG13 VAL 44 -2.995 -6.964 -6.900 292 HG21 VAL 44 HG21 VAL 44 -3.868 -8.917 -5.879 293 HG22 VAL 44 HG22 VAL 44 -5.124 -9.780 -6.764 294 HG23 VAL 44 HG23 VAL 44 -5.255 -8.039 -6.521 295 H VAL 45 HN VAL 45 -6.787 -9.546 -7.877 296 HA VAL 45 HA VAL 45 -6.466 -12.308 -8.364 297 HB VAL 45 HB VAL 45 -8.840 -10.669 -7.466 298 HG11 VAL 45 HG11 VAL 45 -8.586 -13.527 -8.182 299 HG12 VAL 45 HG12 VAL 45 -10.028 -12.518 -8.065 300 HG13 VAL 45 HG13 VAL 45 -9.320 -13.215 -6.609 301 HG21 VAL 45 HG21 VAL 45 -6.500 -11.257 -6.170 302 HG22 VAL 45 HG22 VAL 45 -7.506 -12.627 -5.699 303 HG23 VAL 45 HG23 VAL 45 -8.040 -10.981 -5.355 304 H GLU 46 HN GLU 46 -8.518 -9.854 -9.950 305 HA GLU 46 HA GLU 46 -9.956 -11.635 -11.586 306 HB2 GLU 46 HB2 GLU 46 -10.494 -9.688 -12.946 307 HB3 GLU 46 HB1 GLU 46 -10.572 -9.259 -11.237 308 HG2 GLU 46 HG2 GLU 46 -8.276 -8.340 -11.376 309 HG3 GLU 46 HG1 GLU 46 -8.234 -8.730 -13.094 310 H GLU 47 HN GLU 47 -6.907 -9.884 -12.177 311 HA GLU 47 HA GLU 47 -6.542 -10.691 -14.834 312 HB2 GLU 47 HB2 GLU 47 -5.190 -8.941 -13.741 313 HB3 GLU 47 HB1 GLU 47 -4.426 -10.168 -12.731 314 HG2 GLU 47 HG2 GLU 47 -3.542 -11.289 -14.729 315 HG3 GLU 47 HG1 GLU 47 -4.336 -10.101 -15.762 316 H MET 48 HN MET 48 -5.553 -12.239 -11.788 317 HA MET 48 HA MET 48 -4.166 -14.411 -12.969 318 HB2 MET 48 HB2 MET 48 -5.538 -14.089 -10.290 319 HB3 MET 48 HB1 MET 48 -4.585 -15.506 -10.731 320 HG2 MET 48 HG2 MET 48 -2.659 -13.965 -11.233 321 HG3 MET 48 HG1 MET 48 -3.616 -12.641 -10.572 322 HE1 MET 48 HE1 MET 48 -3.861 -12.987 -6.997 323 HE2 MET 48 HE2 MET 48 -5.086 -13.925 -7.848 324 HE3 MET 48 HE3 MET 48 -4.517 -12.406 -8.535 325 H ASN 49 HN ASN 49 -7.522 -13.900 -12.010 326 HA ASN 49 HA ASN 49 -8.461 -16.532 -12.488 327 HB2 ASN 49 HB2 ASN 49 -9.846 -13.846 -12.471 328 HB3 ASN 49 HB1 ASN 49 -10.707 -15.367 -12.703 329 HD21 ASN 49 HD21 ASN 49 -11.136 -13.656 -10.405 330 HD22 ASN 49 HD22 ASN 49 -10.610 -14.503 -9.031 331 H ALA 50 HN ALA 50 -8.148 -13.674 -14.523 332 HA ALA 50 HA ALA 50 -9.522 -14.639 -16.792 333 HB1 ALA 50 HB1 ALA 50 -7.683 -12.431 -16.175 334 HB2 ALA 50 HB2 ALA 50 -9.126 -12.449 -17.191 335 HB3 ALA 50 HB3 ALA 50 -7.582 -13.004 -17.839 336 H LYS 51 HN LYS 51 -6.144 -14.888 -15.781 337 HA LYS 51 HA LYS 51 -5.126 -16.086 -18.114 338 HB2 LYS 51 HB2 LYS 51 -4.248 -16.264 -15.227 339 HB3 LYS 51 HB1 LYS 51 -3.336 -16.968 -16.562 340 HG2 LYS 51 HG2 LYS 51 -3.185 -14.750 -17.634 341 HG3 LYS 51 HG1 LYS 51 -4.094 -14.043 -16.299 342 HD2 LYS 51 HD2 LYS 51 -2.333 -14.738 -14.721 343 HD3 LYS 51 HD1 LYS 51 -1.420 -15.451 -16.050 344 HE2 LYS 51 HE2 LYS 51 -1.254 -13.242 -17.131 345 HE3 LYS 51 HE1 LYS 51 -2.174 -12.524 -15.809 346 HZ1 LYS 51 HZ1 LYS 51 -0.462 -13.003 -14.288 347 HZ2 LYS 51 HZ2 LYS 51 0.310 -12.337 -15.648 348 HZ3 LYS 51 HZ3 LYS 51 0.349 -14.015 -15.382 349 H ALA 52 HN ALA 52 -6.634 -17.493 -15.222 350 HA ALA 52 HA ALA 52 -6.131 -20.194 -15.774 351 HB1 ALA 52 HB1 ALA 52 -7.113 -19.102 -13.653 352 HB2 ALA 52 HB2 ALA 52 -7.742 -20.679 -14.131 353 HB3 ALA 52 HB3 ALA 52 -8.667 -19.219 -14.478 354 H ALA 53 HN ALA 53 -8.643 -18.012 -16.923 355 HA ALA 53 HA ALA 53 -10.366 -19.915 -18.074 356 HB1 ALA 53 HB1 ALA 53 -10.366 -17.184 -17.812 357 HB2 ALA 53 HB2 ALA 53 -11.523 -18.105 -18.773 358 HB3 ALA 53 HB3 ALA 53 -10.110 -17.386 -19.545 359 H GLN 54 HN GLN 54 -7.442 -18.346 -19.279 360 HA GLN 54 HA GLN 54 -7.731 -19.601 -21.898 361 HB2 GLN 54 HB2 GLN 54 -5.802 -17.637 -20.700 362 HB3 GLN 54 HB1 GLN 54 -5.412 -18.472 -22.204 363 HG2 GLN 54 HG2 GLN 54 -6.490 -16.449 -22.861 364 HG3 GLN 54 HG1 GLN 54 -7.700 -17.717 -23.055 365 HE21 GLN 54 HE21 GLN 54 -6.553 -15.638 -20.323 366 HE22 GLN 54 HE22 GLN 54 -8.114 -15.228 -19.801 367 H LEU 55 HN LEU 55 -6.374 -20.388 -18.874 368 HA LEU 55 HA LEU 55 -4.088 -21.839 -19.710 369 HB2 LEU 55 HB2 LEU 55 -5.809 -21.981 -17.244 370 HB3 LEU 55 HB1 LEU 55 -4.433 -23.057 -17.483 371 HG LEU 55 HG LEU 55 -4.226 -20.045 -17.682 372 HD11 LEU 55 HD11 LEU 55 -4.052 -19.886 -15.436 373 HD12 LEU 55 HD12 LEU 55 -2.980 -21.284 -15.359 374 HD13 LEU 55 HD13 LEU 55 -4.729 -21.513 -15.359 375 HD21 LEU 55 HD21 LEU 55 -2.481 -22.256 -18.259 376 HD22 LEU 55 HD22 LEU 55 -1.821 -21.339 -16.904 377 HD23 LEU 55 HD23 LEU 55 -2.161 -20.530 -18.434 378 H LYS 56 HN LYS 56 -3.805 -23.802 -20.480 379 HA LYS 56 HA LYS 56 -6.173 -25.411 -21.123 380 HB2 LYS 56 HB2 LYS 56 -3.305 -25.559 -22.079 381 HB3 LYS 56 HB1 LYS 56 -4.585 -26.660 -22.592 382 HG2 LYS 56 HG2 LYS 56 -5.889 -24.744 -23.447 383 HG3 LYS 56 HG1 LYS 56 -4.604 -23.647 -22.943 384 HD2 LYS 56 HD2 LYS 56 -3.025 -24.778 -24.452 385 HD3 LYS 56 HD1 LYS 56 -4.290 -25.906 -24.943 386 HE2 LYS 56 HE2 LYS 56 -4.088 -24.119 -26.605 387 HE3 LYS 56 HE1 LYS 56 -5.639 -23.991 -25.776 388 HZ1 LYS 56 HZ1 LYS 56 -3.322 -22.236 -25.666 389 HZ2 LYS 56 HZ2 LYS 56 -4.139 -22.489 -24.197 390 HZ3 LYS 56 HZ3 LYS 56 -4.973 -21.865 -25.540 391 H ASP 57 HN ASP 57 -5.811 -27.850 -21.017 392 HA ASP 57 HA ASP 57 -5.446 -28.644 -18.353 393 HB2 ASP 57 HB2 ASP 57 -6.729 -29.909 -20.090 394 HB3 ASP 57 HB1 ASP 57 -5.194 -30.392 -20.809 395 H GLY 58 HN GLY 58 -3.748 -29.572 -17.246 396 HA2 GLY 58 HA2 GLY 58 -1.588 -30.354 -16.861 397 HA3 GLY 58 HA1 GLY 58 -1.249 -30.186 -18.581 398 H GLU 59 HN GLU 59 -2.671 -27.447 -17.127 399 HA GLU 59 HA GLU 59 -0.032 -26.175 -16.747 400 HB2 GLU 59 HB2 GLU 59 -2.388 -25.068 -18.281 401 HB3 GLU 59 HB1 GLU 59 -1.017 -24.090 -17.750 402 HG2 GLU 59 HG2 GLU 59 0.526 -25.472 -19.025 403 HG3 GLU 59 HG1 GLU 59 -0.777 -26.572 -19.471 404 H TRP 60 HN TRP 60 0.051 -24.502 -15.214 405 HA TRP 60 HA TRP 60 -2.378 -24.021 -13.637 406 HB2 TRP 60 HB2 TRP 60 0.271 -24.740 -12.366 407 HB3 TRP 60 HB1 TRP 60 -1.260 -24.441 -11.544 408 HD1 TRP 60 HD1 TRP 60 0.791 -27.197 -12.577 409 HE1 TRP 60 HE1 TRP 60 -0.566 -29.368 -12.866 410 HE3 TRP 60 HE3 TRP 60 -3.939 -25.275 -12.668 411 HZ2 TRP 60 HZ2 TRP 60 -3.295 -30.184 -13.108 412 HZ3 TRP 60 HZ3 TRP 60 -5.896 -26.773 -12.930 413 HH2 TRP 60 HH2 TRP 60 -5.582 -29.221 -13.152 414 H LEU 61 HN LEU 61 -2.342 -22.060 -12.466 415 HA LEU 61 HA LEU 61 -0.417 -20.117 -13.545 416 HB2 LEU 61 HB2 LEU 61 -2.821 -19.601 -13.781 417 HB3 LEU 61 HB1 LEU 61 -3.003 -19.673 -12.027 418 HG LEU 61 HG LEU 61 -1.357 -17.848 -11.783 419 HD11 LEU 61 HD11 LEU 61 -0.796 -18.564 -14.499 420 HD12 LEU 61 HD12 LEU 61 0.053 -17.401 -13.479 421 HD13 LEU 61 HD13 LEU 61 -1.308 -16.876 -14.470 422 HD21 LEU 61 HD21 LEU 61 -3.364 -16.760 -11.812 423 HD22 LEU 61 HD22 LEU 61 -3.905 -17.599 -13.267 424 HD23 LEU 61 HD23 LEU 61 -2.835 -16.203 -13.400 425 H ASN 62 HN ASN 62 1.056 -19.092 -12.271 426 HA ASN 62 HA ASN 62 1.202 -19.955 -9.464 427 HB2 ASN 62 HB2 ASN 62 3.199 -20.351 -10.825 428 HB3 ASN 62 HB1 ASN 62 3.267 -18.641 -11.246 429 HD21 ASN 62 HD21 ASN 62 3.567 -20.907 -8.497 430 HD22 ASN 62 HD22 ASN 62 4.456 -19.844 -7.516 431 H VAL 63 HN VAL 63 0.757 -18.582 -7.852 432 HA VAL 63 HA VAL 63 0.579 -15.698 -8.494 433 HB VAL 63 HB VAL 63 -0.988 -17.301 -6.457 434 HG11 VAL 63 HG11 VAL 63 -0.910 -15.203 -5.484 435 HG12 VAL 63 HG12 VAL 63 -2.280 -14.976 -6.571 436 HG13 VAL 63 HG13 VAL 63 -0.682 -14.380 -7.026 437 HG21 VAL 63 HG21 VAL 63 -1.599 -16.203 -9.197 438 HG22 VAL 63 HG22 VAL 63 -2.888 -16.426 -8.016 439 HG23 VAL 63 HG23 VAL 63 -1.935 -17.811 -8.552 440 H SER 64 HN SER 64 1.946 -14.391 -7.400 441 HA SER 64 HA SER 64 2.789 -15.052 -4.704 442 HB2 SER 64 HB2 SER 64 5.163 -15.039 -5.199 443 HB3 SER 64 HB1 SER 64 4.389 -16.286 -6.173 444 HG SER 64 HG SER 64 5.752 -15.048 -7.468 445 H HIS 65 HN HIS 65 4.347 -13.271 -3.916 446 HA HIS 65 HA HIS 65 3.912 -10.699 -5.269 447 HB2 HIS 65 HB2 HIS 65 3.015 -9.642 -3.305 448 HB3 HIS 65 HB1 HIS 65 2.046 -11.086 -3.604 449 HD1 HIS 65 HD1 HIS 65 2.711 -13.250 -2.132 450 HD2 HIS 65 HD2 HIS 65 4.285 -9.616 -0.826 451 HE1 HIS 65 HE1 HIS 65 3.508 -13.625 0.242 452 H GLU 66 HN GLU 66 5.296 -8.964 -4.325 453 HA GLU 66 HA GLU 66 7.883 -10.055 -3.611 454 HB2 GLU 66 HB2 GLU 66 7.551 -8.191 -5.279 455 HB3 GLU 66 HB1 GLU 66 7.095 -7.155 -3.926 456 HG2 GLU 66 HG2 GLU 66 9.669 -8.710 -3.839 457 HG3 GLU 66 HG1 GLU 66 9.587 -7.178 -4.706 458 H ALA 67 HN ALA 67 8.599 -10.249 -1.592 459 HA ALA 67 HA ALA 67 7.631 -8.394 0.474 460 HB1 ALA 67 HB1 ALA 67 7.103 -11.284 0.334 461 HB2 ALA 67 HB2 ALA 67 6.277 -10.028 1.256 462 HB3 ALA 67 HB3 ALA 67 7.767 -10.741 1.876 Start of MODEL 20 1 H MET 1 HT1 MET 1 2.518 -1.180 -0.229 2 HA MET 1 HA MET 1 3.199 -0.492 -2.603 3 HB2 MET 1 HB2 MET 1 5.865 -0.707 -1.171 4 HG2 MET 1 HG2 MET 1 4.764 1.496 -0.929 5 HE1 MET 1 HE1 MET 1 1.940 1.326 -2.477 6 HE2 MET 1 HE2 MET 1 2.224 3.065 -2.498 7 HE3 MET 1 HE3 MET 1 2.897 2.085 -1.198 8 H THR 2 HN THR 2 1.950 -2.453 -2.513 9 HA THR 2 HA THR 2 3.584 -4.892 -2.153 10 HB THR 2 HB THR 2 0.584 -4.558 -1.907 11 HG1 THR 2 HG1 THR 2 2.709 -4.483 -0.154 12 HG21 THR 2 HG21 THR 2 0.711 -6.918 -1.077 13 HG22 THR 2 HG22 THR 2 2.404 -6.957 -1.570 14 HG23 THR 2 HG23 THR 2 1.137 -6.754 -2.781 15 H THR 3 HN THR 3 3.895 -6.155 -3.888 16 HA THR 3 HA THR 3 2.163 -5.731 -6.250 17 HB THR 3 HB THR 3 4.399 -4.640 -6.508 18 HG1 THR 3 HG1 THR 3 3.857 -6.914 -8.113 19 HG21 THR 3 HG21 THR 3 5.892 -5.963 -5.275 20 HG22 THR 3 HG22 THR 3 6.275 -6.393 -6.943 21 HG23 THR 3 HG23 THR 3 5.275 -7.466 -5.962 22 H PHE 4 HN PHE 4 1.751 -7.500 -7.536 23 HA PHE 4 HA PHE 4 2.481 -10.117 -6.366 24 HB2 PHE 4 HB2 PHE 4 -0.030 -9.301 -7.849 25 HB3 PHE 4 HB1 PHE 4 0.334 -10.930 -7.289 26 HD1 PHE 4 HD1 PHE 4 -0.642 -7.538 -6.291 27 HD2 PHE 4 HD2 PHE 4 0.395 -11.462 -4.887 28 HE1 PHE 4 HE1 PHE 4 -1.548 -6.976 -4.051 29 HE2 PHE 4 HE2 PHE 4 -0.509 -10.900 -2.647 30 HZ PHE 4 HZ PHE 4 -1.481 -8.658 -2.229 31 H THR 5 HN THR 5 3.253 -11.684 -7.694 32 HA THR 5 HA THR 5 3.444 -11.040 -10.572 33 HB THR 5 HB THR 5 5.714 -11.958 -10.578 34 HG1 THR 5 HG1 THR 5 6.631 -12.227 -8.391 35 HG21 THR 5 HG21 THR 5 4.952 -9.495 -9.688 36 HG22 THR 5 HG22 THR 5 6.628 -9.969 -9.966 37 HG23 THR 5 HG23 THR 5 5.945 -10.050 -8.342 38 H SER 6 HN SER 6 3.655 -12.866 -11.970 39 HA SER 6 HA SER 6 3.281 -15.536 -10.908 40 HB2 SER 6 HB2 SER 6 1.117 -15.938 -11.936 41 HB3 SER 6 HB1 SER 6 0.989 -14.584 -10.817 42 HG SER 6 HG SER 6 0.646 -14.672 -13.519 43 H ILE 7 HN ILE 7 3.166 -17.175 -12.630 44 HA ILE 7 HA ILE 7 3.952 -16.332 -15.307 45 HB ILE 7 HB ILE 7 5.821 -17.428 -13.324 46 HG12 ILE 7 HG12 ILE 7 7.237 -16.732 -15.559 47 HG13 ILE 7 HG11 ILE 7 5.778 -15.764 -15.768 48 HG21 ILE 7 HG21 ILE 7 5.275 -19.499 -14.575 49 HG22 ILE 7 HG22 ILE 7 6.925 -18.963 -14.895 50 HG23 ILE 7 HG23 ILE 7 5.655 -18.673 -16.086 51 HD11 ILE 7 HD11 ILE 7 6.580 -15.627 -13.017 52 HD12 ILE 7 HD12 ILE 7 6.482 -14.319 -14.196 53 HD13 ILE 7 HD13 ILE 7 7.972 -15.249 -14.032 54 H VAL 8 HN VAL 8 3.882 -18.201 -16.826 55 HA VAL 8 HA VAL 8 1.821 -20.079 -15.944 56 HB VAL 8 HB VAL 8 2.960 -19.539 -18.695 57 HG11 VAL 8 HG11 VAL 8 1.416 -21.724 -17.664 58 HG12 VAL 8 HG12 VAL 8 1.908 -21.424 -19.331 59 HG13 VAL 8 HG13 VAL 8 0.387 -20.765 -18.728 60 HG21 VAL 8 HG21 VAL 8 0.169 -18.900 -17.798 61 HG22 VAL 8 HG22 VAL 8 1.142 -18.129 -19.051 62 HG23 VAL 8 HG23 VAL 8 1.477 -17.805 -17.350 63 H THR 9 HN THR 9 2.633 -21.744 -14.898 64 HA THR 9 HA THR 9 4.345 -23.620 -16.307 65 HB THR 9 HB THR 9 5.908 -22.093 -14.998 66 HG1 THR 9 HG1 THR 9 6.743 -24.042 -15.389 67 HG21 THR 9 HG21 THR 9 4.330 -21.774 -13.086 68 HG22 THR 9 HG22 THR 9 5.926 -22.324 -12.573 69 HG23 THR 9 HG23 THR 9 4.582 -23.464 -12.642 70 H THR 10 HN THR 10 4.133 -25.799 -15.345 71 HA THR 10 HA THR 10 2.078 -25.864 -13.224 72 HB THR 10 HB THR 10 0.703 -26.470 -14.943 73 HG1 THR 10 HG1 THR 10 2.043 -28.941 -14.702 74 HG21 THR 10 HG21 THR 10 2.618 -26.170 -16.598 75 HG22 THR 10 HG22 THR 10 1.419 -27.380 -17.037 76 HG23 THR 10 HG23 THR 10 2.968 -27.881 -16.364 77 H ASN 11 HN ASN 11 3.605 -26.377 -11.671 78 HA ASN 11 HA ASN 11 4.261 -29.191 -11.485 79 HB2 ASN 11 HB2 ASN 11 6.693 -28.777 -11.141 80 HB3 ASN 11 HB1 ASN 11 6.163 -28.451 -12.790 81 HD21 ASN 11 HD21 ASN 11 7.844 -26.861 -13.191 82 HD22 ASN 11 HD22 ASN 11 7.840 -25.348 -12.421 83 HA PRO 12 HA PRO 12 3.801 -26.500 -7.571 84 HB2 PRO 12 HB2 PRO 12 1.244 -27.249 -6.898 85 HB3 PRO 12 HB1 PRO 12 1.630 -25.805 -7.854 86 HG2 PRO 12 HG2 PRO 12 0.682 -28.477 -8.762 87 HG3 PRO 12 HG1 PRO 12 0.240 -26.862 -9.345 88 HD2 PRO 12 HD2 PRO 12 2.000 -28.464 -10.679 89 HD3 PRO 12 HD1 PRO 12 2.108 -26.690 -10.708 90 H ASP 13 HN ASP 13 5.048 -27.677 -6.213 91 HA ASP 13 HA ASP 13 4.451 -30.494 -5.716 92 HB2 ASP 13 HB2 ASP 13 6.580 -30.557 -4.576 93 HB3 ASP 13 HB1 ASP 13 6.793 -29.722 -6.114 94 H PHE 14 HN PHE 14 4.591 -31.250 -3.408 95 HA PHE 14 HA PHE 14 2.984 -29.454 -1.710 96 HB2 PHE 14 HB2 PHE 14 3.332 -32.460 -1.628 97 HB3 PHE 14 HB1 PHE 14 2.338 -31.525 -0.511 98 HD1 PHE 14 HD1 PHE 14 0.313 -30.343 -1.307 99 HD2 PHE 14 HD2 PHE 14 2.629 -32.859 -3.906 100 HE1 PHE 14 HE1 PHE 14 -1.563 -30.394 -2.929 101 HE2 PHE 14 HE2 PHE 14 0.754 -32.911 -5.528 102 HZ PHE 14 HZ PHE 14 -1.343 -31.678 -5.039 103 H GLY 15 HN GLY 15 6.062 -29.754 -2.092 104 HA2 GLY 15 HA2 GLY 15 6.880 -30.503 0.611 105 HA3 GLY 15 HA1 GLY 15 7.946 -30.090 -0.729 106 H GLY 16 HN GLY 16 5.529 -27.832 -0.672 107 HA2 GLY 16 HA2 GLY 16 6.564 -26.114 1.419 108 HA3 GLY 16 HA1 GLY 16 6.987 -25.596 -0.211 109 H PHE 17 HN PHE 17 5.591 -23.750 0.907 110 HA PHE 17 HA PHE 17 2.729 -24.233 0.451 111 HB2 PHE 17 HB2 PHE 17 2.396 -22.083 1.588 112 HB3 PHE 17 HB1 PHE 17 3.378 -23.165 2.575 113 HD1 PHE 17 HD1 PHE 17 3.375 -20.126 0.500 114 HD2 PHE 17 HD2 PHE 17 5.777 -22.778 2.876 115 HE1 PHE 17 HE1 PHE 17 5.197 -18.444 0.535 116 HE2 PHE 17 HE2 PHE 17 7.599 -21.097 2.911 117 HZ PHE 17 HZ PHE 17 7.309 -18.930 1.740 118 H GLU 18 HN GLU 18 1.885 -23.719 -1.444 119 HA GLU 18 HA GLU 18 2.602 -21.254 -2.782 120 HB2 GLU 18 HB2 GLU 18 3.159 -23.947 -4.042 121 HB3 GLU 18 HB1 GLU 18 3.041 -22.446 -4.961 122 HG2 GLU 18 HG2 GLU 18 4.882 -21.473 -3.702 123 HG3 GLU 18 HG1 GLU 18 4.951 -22.886 -2.649 124 H PHE 19 HN PHE 19 0.894 -20.487 -4.023 125 HA PHE 19 HA PHE 19 -1.471 -22.255 -4.116 126 HB2 PHE 19 HB2 PHE 19 -1.718 -20.203 -2.730 127 HB3 PHE 19 HB1 PHE 19 -1.390 -19.230 -4.166 128 HD1 PHE 19 HD1 PHE 19 -3.766 -21.562 -2.569 129 HD2 PHE 19 HD2 PHE 19 -3.024 -19.027 -5.955 130 HE1 PHE 19 HE1 PHE 19 -6.142 -21.773 -3.246 131 HE2 PHE 19 HE2 PHE 19 -5.401 -19.239 -6.632 132 HZ PHE 19 HZ PHE 19 -6.960 -20.610 -5.277 133 H TYR 20 HN TYR 20 -2.261 -22.806 -6.041 134 HA TYR 20 HA TYR 20 -1.469 -21.217 -8.407 135 HB2 TYR 20 HB2 TYR 20 -1.549 -24.237 -8.191 136 HB3 TYR 20 HB1 TYR 20 -1.258 -23.332 -9.676 137 HD1 TYR 20 HD1 TYR 20 0.116 -24.297 -6.398 138 HD2 TYR 20 HD2 TYR 20 0.829 -22.113 -10.028 139 HE1 TYR 20 HE1 TYR 20 2.523 -24.128 -5.824 140 HE2 TYR 20 HE2 TYR 20 3.234 -21.941 -9.452 141 HH TYR 20 HH TYR 20 4.879 -23.300 -8.007 142 H VAL 21 HN VAL 21 -3.061 -20.893 -9.926 143 HA VAL 21 HA VAL 21 -5.763 -21.684 -9.129 144 HB VAL 21 HB VAL 21 -4.785 -19.836 -11.324 145 HG11 VAL 21 HG11 VAL 21 -7.185 -19.168 -11.443 146 HG12 VAL 21 HG12 VAL 21 -7.577 -20.470 -10.321 147 HG13 VAL 21 HG13 VAL 21 -6.931 -20.847 -11.918 148 HG21 VAL 21 HG21 VAL 21 -6.132 -19.271 -8.663 149 HG22 VAL 21 HG22 VAL 21 -5.643 -18.061 -9.852 150 HG23 VAL 21 HG23 VAL 21 -4.420 -19.014 -9.007 151 H GLU 22 HN GLU 22 -6.638 -23.479 -9.916 152 HA GLU 22 HA GLU 22 -5.465 -24.931 -12.092 153 HB2 GLU 22 HB2 GLU 22 -8.089 -25.298 -10.623 154 HB3 GLU 22 HB1 GLU 22 -7.423 -26.441 -11.789 155 HG2 GLU 22 HG2 GLU 22 -6.595 -27.346 -9.826 156 HG3 GLU 22 HG1 GLU 22 -5.276 -26.252 -10.241 157 H ALA 23 HN ALA 23 -6.190 -25.140 -14.199 158 HA ALA 23 HA ALA 23 -7.329 -22.989 -15.485 159 HB1 ALA 23 HB1 ALA 23 -7.685 -24.428 -17.383 160 HB2 ALA 23 HB2 ALA 23 -7.711 -25.862 -16.356 161 HB3 ALA 23 HB3 ALA 23 -6.209 -24.965 -16.580 162 H GLY 24 HN GLY 24 -9.298 -22.125 -15.542 163 HA2 GLY 24 HA2 GLY 24 -11.612 -21.969 -15.523 164 HA3 GLY 24 HA1 GLY 24 -11.694 -23.725 -15.398 165 H GLN 25 HN GLN 25 -9.592 -22.355 -13.113 166 HA GLN 25 HA GLN 25 -11.633 -22.694 -11.007 167 HB2 GLN 25 HB2 GLN 25 -9.630 -24.185 -10.926 168 HB3 GLN 25 HB1 GLN 25 -8.619 -22.751 -10.738 169 HG2 GLN 25 HG2 GLN 25 -9.113 -23.724 -8.542 170 HG3 GLN 25 HG1 GLN 25 -9.884 -22.146 -8.694 171 HE21 GLN 25 HE21 GLN 25 -11.947 -22.219 -7.807 172 HE22 GLN 25 HE22 GLN 25 -13.019 -23.528 -7.939 173 H GLN 26 HN GLN 26 -12.187 -21.022 -9.744 174 HA GLN 26 HA GLN 26 -11.126 -18.399 -10.370 175 HB2 GLN 26 HB2 GLN 26 -13.540 -18.741 -9.962 176 HB3 GLN 26 HB1 GLN 26 -13.177 -19.214 -8.302 177 HG2 GLN 26 HG2 GLN 26 -12.184 -17.018 -7.865 178 HG3 GLN 26 HG1 GLN 26 -12.469 -16.538 -9.536 179 HE21 GLN 26 HE21 GLN 26 -13.667 -14.866 -7.791 180 HE22 GLN 26 HE22 GLN 26 -15.331 -15.175 -7.653 181 H PHE 27 HN PHE 27 -9.505 -17.457 -9.371 182 HA PHE 27 HA PHE 27 -8.025 -18.626 -7.275 183 HB2 PHE 27 HB2 PHE 27 -7.081 -16.973 -8.841 184 HB3 PHE 27 HB1 PHE 27 -8.124 -15.730 -8.150 185 HD1 PHE 27 HD1 PHE 27 -7.777 -14.929 -5.845 186 HD2 PHE 27 HD2 PHE 27 -5.135 -17.791 -7.641 187 HE1 PHE 27 HE1 PHE 27 -6.100 -14.490 -4.073 188 HE2 PHE 27 HE2 PHE 27 -3.459 -17.362 -5.866 189 HZ PHE 27 HZ PHE 27 -3.941 -15.710 -4.081 190 H ASP 28 HN ASP 28 -8.342 -18.680 -5.158 191 HA ASP 28 HA ASP 28 -10.554 -17.192 -3.999 192 HB2 ASP 28 HB2 ASP 28 -8.654 -19.282 -2.933 193 HB3 ASP 28 HB1 ASP 28 -9.850 -18.476 -1.926 194 H ASP 29 HN ASP 29 -10.120 -15.101 -3.605 195 HA ASP 29 HA ASP 29 -7.530 -14.106 -2.952 196 HB2 ASP 29 HB2 ASP 29 -8.696 -11.977 -2.547 197 HB3 ASP 29 HB1 ASP 29 -9.206 -12.712 -4.066 198 H SER 30 HN SER 30 -10.235 -15.265 -1.056 199 HA SER 30 HA SER 30 -9.452 -14.076 1.415 200 HB2 SER 30 HB2 SER 30 -11.013 -15.666 2.429 201 HB3 SER 30 HB1 SER 30 -11.731 -14.925 1.003 202 HG SER 30 HG SER 30 -12.066 -17.096 0.814 203 H ALA 31 HN ALA 31 -8.790 -17.211 -0.124 204 HA ALA 31 HA ALA 31 -7.420 -18.356 2.069 205 HB1 ALA 31 HB1 ALA 31 -7.779 -20.074 0.656 206 HB2 ALA 31 HB2 ALA 31 -6.323 -19.531 -0.177 207 HB3 ALA 31 HB3 ALA 31 -7.909 -19.004 -0.740 208 H TYR 32 HN TYR 32 -6.382 -16.419 -0.670 209 HA TYR 32 HA TYR 32 -3.607 -16.685 -0.374 210 HB2 TYR 32 HB2 TYR 32 -4.814 -15.594 -2.304 211 HB3 TYR 32 HB1 TYR 32 -5.068 -14.190 -1.268 212 HD1 TYR 32 HD1 TYR 32 -3.168 -12.815 -0.511 213 HD2 TYR 32 HD2 TYR 32 -2.610 -16.159 -3.147 214 HE1 TYR 32 HE1 TYR 32 -0.889 -12.003 -1.059 215 HE2 TYR 32 HE2 TYR 32 -0.330 -15.349 -3.693 216 HH TYR 32 HH TYR 32 1.025 -13.482 -3.598 217 H GLU 33 HN GLU 33 -5.948 -14.578 1.185 218 HA GLU 33 HA GLU 33 -4.167 -12.847 2.517 219 HB2 GLU 33 HB2 GLU 33 -6.947 -13.800 3.243 220 HB3 GLU 33 HB1 GLU 33 -6.104 -12.488 4.068 221 HG2 GLU 33 HG2 GLU 33 -5.911 -11.271 1.935 222 HG3 GLU 33 HG1 GLU 33 -6.759 -12.581 1.114 223 H GLU 34 HN GLU 34 -5.605 -15.949 3.453 224 HA GLU 34 HA GLU 34 -4.317 -15.959 6.040 225 HB2 GLU 34 HB2 GLU 34 -6.537 -16.994 5.686 226 HB3 GLU 34 HB1 GLU 34 -5.797 -18.171 4.601 227 HG2 GLU 34 HG2 GLU 34 -4.356 -18.973 6.417 228 HG3 GLU 34 HG1 GLU 34 -5.035 -17.766 7.508 229 H ALA 35 HN ALA 35 -3.645 -17.176 2.845 230 HA ALA 35 HA ALA 35 -1.550 -18.969 3.811 231 HB1 ALA 35 HB1 ALA 35 -1.247 -19.193 1.212 232 HB2 ALA 35 HB2 ALA 35 -2.837 -18.433 1.163 233 HB3 ALA 35 HB3 ALA 35 -2.617 -19.964 2.011 234 H TYR 36 HN TYR 36 -1.887 -15.723 2.798 235 HA TYR 36 HA TYR 36 1.046 -15.499 2.516 236 HB2 TYR 36 HB2 TYR 36 -1.074 -13.990 0.979 237 HB3 TYR 36 HB1 TYR 36 0.660 -13.664 0.905 238 HD1 TYR 36 HD1 TYR 36 -2.013 -16.040 0.030 239 HD2 TYR 36 HD2 TYR 36 2.200 -15.237 -0.164 240 HE1 TYR 36 HE1 TYR 36 -1.746 -17.846 -1.648 241 HE2 TYR 36 HE2 TYR 36 2.468 -17.042 -1.844 242 HH TYR 36 HH TYR 36 1.444 -18.576 -3.071 243 H GLY 37 HN GLY 37 -1.748 -14.574 4.167 244 HA2 GLY 37 HA2 GLY 37 -2.133 -13.034 5.846 245 HA3 GLY 37 HA1 GLY 37 -0.380 -12.947 6.017 246 H VAL 38 HN VAL 38 -1.870 -12.284 2.958 247 HA VAL 38 HA VAL 38 -1.568 -9.383 3.347 248 HB VAL 38 HB VAL 38 -0.154 -11.189 1.454 249 HG11 VAL 38 HG11 VAL 38 -1.047 -10.090 -0.320 250 HG12 VAL 38 HG12 VAL 38 0.088 -8.823 0.148 251 HG13 VAL 38 HG13 VAL 38 -1.598 -8.733 0.664 252 HG21 VAL 38 HG21 VAL 38 0.798 -9.846 3.457 253 HG22 VAL 38 HG22 VAL 38 0.620 -8.435 2.412 254 HG23 VAL 38 HG23 VAL 38 1.672 -9.764 1.926 255 H SER 39 HN SER 39 -3.194 -8.218 2.446 256 HA SER 39 HA SER 39 -5.475 -9.576 1.410 257 HB2 SER 39 HB2 SER 39 -6.442 -7.361 1.154 258 HB3 SER 39 HB1 SER 39 -5.602 -7.460 2.699 259 HG SER 39 HG SER 39 -4.240 -6.005 2.023 260 H VAL 40 HN VAL 40 -6.223 -9.820 -0.637 261 HA VAL 40 HA VAL 40 -4.373 -9.077 -2.812 262 HB VAL 40 HB VAL 40 -6.551 -11.178 -2.741 263 HG11 VAL 40 HG11 VAL 40 -4.722 -11.696 -4.793 264 HG12 VAL 40 HG12 VAL 40 -5.008 -9.958 -4.885 265 HG13 VAL 40 HG13 VAL 40 -6.364 -11.081 -4.985 266 HG21 VAL 40 HG21 VAL 40 -4.995 -12.359 -1.597 267 HG22 VAL 40 HG22 VAL 40 -3.745 -11.152 -1.905 268 HG23 VAL 40 HG23 VAL 40 -4.083 -12.400 -3.105 269 HA PRO 41 HA PRO 41 -7.514 -5.992 -3.793 270 HB2 PRO 41 HB2 PRO 41 -5.745 -5.766 -6.191 271 HB3 PRO 41 HB1 PRO 41 -6.335 -4.494 -5.100 272 HG2 PRO 41 HG2 PRO 41 -3.823 -5.302 -4.975 273 HG3 PRO 41 HG1 PRO 41 -4.732 -4.947 -3.493 274 HD2 PRO 41 HD2 PRO 41 -4.049 -7.623 -4.685 275 HD3 PRO 41 HD1 PRO 41 -4.065 -7.121 -2.977 276 H SER 42 HN SER 42 -9.353 -6.151 -5.041 277 HA SER 42 HA SER 42 -9.972 -8.522 -6.370 278 HB2 SER 42 HB2 SER 42 -11.971 -7.350 -7.166 279 HB3 SER 42 HB1 SER 42 -11.661 -6.977 -5.472 280 HG SER 42 HG SER 42 -10.971 -5.402 -7.736 281 H ALA 43 HN ALA 43 -8.724 -5.461 -7.651 282 HA ALA 43 HA ALA 43 -9.108 -6.028 -10.385 283 HB1 ALA 43 HB1 ALA 43 -7.402 -4.171 -8.809 284 HB2 ALA 43 HB2 ALA 43 -8.539 -3.827 -10.113 285 HB3 ALA 43 HB3 ALA 43 -6.938 -4.465 -10.484 286 H VAL 44 HN VAL 44 -6.395 -6.732 -8.202 287 HA VAL 44 HA VAL 44 -4.704 -7.834 -10.216 288 HB VAL 44 HB VAL 44 -4.707 -8.088 -7.206 289 HG11 VAL 44 HG11 VAL 44 -3.340 -9.670 -9.169 290 HG12 VAL 44 HG12 VAL 44 -3.182 -9.729 -7.414 291 HG13 VAL 44 HG13 VAL 44 -2.160 -8.644 -8.355 292 HG21 VAL 44 HG21 VAL 44 -2.749 -6.630 -8.983 293 HG22 VAL 44 HG22 VAL 44 -3.046 -6.403 -7.260 294 HG23 VAL 44 HG23 VAL 44 -4.238 -5.857 -8.439 295 H VAL 45 HN VAL 45 -6.902 -9.277 -7.832 296 HA VAL 45 HA VAL 45 -6.296 -11.983 -8.404 297 HB VAL 45 HB VAL 45 -7.577 -11.005 -6.410 298 HG11 VAL 45 HG11 VAL 45 -9.759 -11.137 -8.499 299 HG12 VAL 45 HG12 VAL 45 -9.262 -9.738 -7.552 300 HG13 VAL 45 HG13 VAL 45 -10.081 -11.085 -6.766 301 HG21 VAL 45 HG21 VAL 45 -9.162 -13.282 -7.456 302 HG22 VAL 45 HG22 VAL 45 -8.282 -13.123 -5.935 303 HG23 VAL 45 HG23 VAL 45 -7.413 -13.515 -7.421 304 H GLU 46 HN GLU 46 -8.595 -9.713 -9.859 305 HA GLU 46 HA GLU 46 -10.072 -11.612 -11.333 306 HB2 GLU 46 HB2 GLU 46 -9.498 -8.686 -11.823 307 HB3 GLU 46 HB1 GLU 46 -10.580 -9.637 -12.841 308 HG2 GLU 46 HG2 GLU 46 -12.025 -10.127 -10.965 309 HG3 GLU 46 HG1 GLU 46 -10.889 -9.390 -9.838 310 H GLU 47 HN GLU 47 -7.157 -9.740 -12.151 311 HA GLU 47 HA GLU 47 -6.895 -10.599 -14.805 312 HB2 GLU 47 HB2 GLU 47 -5.595 -8.740 -13.869 313 HB3 GLU 47 HB1 GLU 47 -4.722 -9.864 -12.828 314 HG2 GLU 47 HG2 GLU 47 -3.386 -9.377 -14.820 315 HG3 GLU 47 HG1 GLU 47 -3.903 -11.062 -14.842 316 H MET 48 HN MET 48 -5.629 -12.001 -11.789 317 HA MET 48 HA MET 48 -4.168 -14.099 -13.004 318 HB2 MET 48 HB2 MET 48 -5.421 -13.850 -10.260 319 HB3 MET 48 HB1 MET 48 -4.372 -15.185 -10.741 320 HG2 MET 48 HG2 MET 48 -3.604 -12.252 -10.812 321 HG3 MET 48 HG1 MET 48 -3.104 -13.403 -9.573 322 HE1 MET 48 HE1 MET 48 0.184 -12.950 -11.200 323 HE2 MET 48 HE2 MET 48 -1.026 -12.263 -10.120 324 HE3 MET 48 HE3 MET 48 -0.911 -11.689 -11.782 325 H ASN 49 HN ASN 49 -7.493 -13.799 -11.884 326 HA ASN 49 HA ASN 49 -8.267 -16.502 -12.285 327 HB2 ASN 49 HB2 ASN 49 -9.837 -13.922 -12.202 328 HB3 ASN 49 HB1 ASN 49 -10.599 -15.501 -12.384 329 HD21 ASN 49 HD21 ASN 49 -11.027 -13.814 -10.069 330 HD22 ASN 49 HD22 ASN 49 -10.367 -14.612 -8.725 331 H ALA 50 HN ALA 50 -8.279 -13.641 -14.348 332 HA ALA 50 HA ALA 50 -9.694 -14.730 -16.532 333 HB1 ALA 50 HB1 ALA 50 -9.418 -12.390 -16.549 334 HB2 ALA 50 HB2 ALA 50 -8.363 -12.957 -17.845 335 HB3 ALA 50 HB3 ALA 50 -7.678 -12.506 -16.284 336 H LYS 51 HN LYS 51 -6.232 -14.673 -15.753 337 HA LYS 51 HA LYS 51 -5.287 -15.818 -18.142 338 HB2 LYS 51 HB2 LYS 51 -4.214 -15.889 -15.316 339 HB3 LYS 51 HB1 LYS 51 -3.324 -16.495 -16.713 340 HG2 LYS 51 HG2 LYS 51 -3.430 -14.295 -17.776 341 HG3 LYS 51 HG1 LYS 51 -4.392 -13.673 -16.436 342 HD2 LYS 51 HD2 LYS 51 -2.522 -14.168 -14.885 343 HD3 LYS 51 HD1 LYS 51 -1.555 -14.723 -16.253 344 HE2 LYS 51 HE2 LYS 51 -2.749 -11.949 -16.021 345 HE3 LYS 51 HE1 LYS 51 -1.084 -12.351 -15.618 346 HZ1 LYS 51 HZ1 LYS 51 -1.655 -13.406 -18.144 347 HZ2 LYS 51 HZ2 LYS 51 -0.561 -12.168 -17.746 348 HZ3 LYS 51 HZ3 LYS 51 -2.171 -11.789 -18.134 349 H ALA 52 HN ALA 52 -6.421 -17.289 -15.119 350 HA ALA 52 HA ALA 52 -5.760 -19.958 -15.699 351 HB1 ALA 52 HB1 ALA 52 -8.054 -18.877 -14.045 352 HB2 ALA 52 HB2 ALA 52 -6.420 -19.192 -13.460 353 HB3 ALA 52 HB3 ALA 52 -7.438 -20.529 -13.995 354 H ALA 53 HN ALA 53 -8.536 -17.979 -16.569 355 HA ALA 53 HA ALA 53 -10.233 -20.020 -17.515 356 HB1 ALA 53 HB1 ALA 53 -10.356 -17.257 -17.288 357 HB2 ALA 53 HB2 ALA 53 -11.602 -18.298 -17.977 358 HB3 ALA 53 HB3 ALA 53 -10.409 -17.537 -19.028 359 H GLN 54 HN GLN 54 -7.604 -18.229 -19.030 360 HA GLN 54 HA GLN 54 -8.088 -19.430 -21.634 361 HB2 GLN 54 HB2 GLN 54 -5.920 -17.606 -20.581 362 HB3 GLN 54 HB1 GLN 54 -5.961 -18.216 -22.237 363 HG2 GLN 54 HG2 GLN 54 -8.090 -17.151 -22.648 364 HG3 GLN 54 HG1 GLN 54 -8.247 -16.700 -20.952 365 HE21 GLN 54 HE21 GLN 54 -8.135 -14.891 -23.349 366 HE22 GLN 54 HE22 GLN 54 -6.814 -13.861 -23.073 367 H LEU 55 HN LEU 55 -6.469 -20.298 -18.778 368 HA LEU 55 HA LEU 55 -4.289 -21.750 -19.925 369 HB2 LEU 55 HB2 LEU 55 -5.599 -21.827 -17.208 370 HB3 LEU 55 HB1 LEU 55 -4.232 -22.855 -17.636 371 HG LEU 55 HG LEU 55 -4.196 -19.844 -17.936 372 HD11 LEU 55 HD11 LEU 55 -3.705 -19.628 -15.746 373 HD12 LEU 55 HD12 LEU 55 -2.511 -20.922 -15.835 374 HD13 LEU 55 HD13 LEU 55 -4.207 -21.305 -15.536 375 HD21 LEU 55 HD21 LEU 55 -1.650 -20.484 -17.772 376 HD22 LEU 55 HD22 LEU 55 -2.504 -20.707 -19.300 377 HD23 LEU 55 HD23 LEU 55 -2.219 -22.086 -18.238 378 H LYS 56 HN LYS 56 -4.114 -23.811 -20.534 379 HA LYS 56 HA LYS 56 -6.582 -25.344 -20.873 380 HB2 LYS 56 HB2 LYS 56 -3.808 -26.032 -21.863 381 HB3 LYS 56 HB1 LYS 56 -5.345 -26.685 -22.431 382 HG2 LYS 56 HG2 LYS 56 -4.625 -23.749 -22.603 383 HG3 LYS 56 HG1 LYS 56 -4.348 -24.893 -23.917 384 HD2 LYS 56 HD2 LYS 56 -7.041 -25.191 -22.924 385 HD3 LYS 56 HD1 LYS 56 -6.742 -23.502 -23.335 386 HE2 LYS 56 HE2 LYS 56 -7.440 -24.411 -25.384 387 HE3 LYS 56 HE1 LYS 56 -5.683 -24.469 -25.515 388 HZ1 LYS 56 HZ1 LYS 56 -5.729 -26.670 -25.611 389 HZ2 LYS 56 HZ2 LYS 56 -7.420 -26.583 -25.751 390 HZ3 LYS 56 HZ3 LYS 56 -6.700 -26.789 -24.226 391 H ASP 57 HN ASP 57 -6.335 -27.792 -20.562 392 HA ASP 57 HA ASP 57 -5.838 -28.328 -17.839 393 HB2 ASP 57 HB2 ASP 57 -6.203 -30.138 -20.230 394 HB3 ASP 57 HB1 ASP 57 -6.015 -30.750 -18.587 395 H GLY 58 HN GLY 58 -4.192 -29.557 -16.838 396 HA2 GLY 58 HA2 GLY 58 -2.085 -30.507 -16.596 397 HA3 GLY 58 HA1 GLY 58 -1.849 -30.358 -18.335 398 H GLU 59 HN GLU 59 -2.917 -27.498 -16.814 399 HA GLU 59 HA GLU 59 -0.152 -26.480 -16.591 400 HB2 GLU 59 HB2 GLU 59 -2.477 -25.175 -18.010 401 HB3 GLU 59 HB1 GLU 59 -1.011 -24.308 -17.544 402 HG2 GLU 59 HG2 GLU 59 0.360 -25.796 -18.883 403 HG3 GLU 59 HG1 GLU 59 -1.035 -26.806 -19.256 404 H TRP 60 HN TRP 60 0.148 -24.745 -15.112 405 HA TRP 60 HA TRP 60 -2.133 -24.155 -13.350 406 HB2 TRP 60 HB2 TRP 60 0.599 -24.933 -12.313 407 HB3 TRP 60 HB1 TRP 60 -0.842 -24.582 -11.359 408 HD1 TRP 60 HD1 TRP 60 1.022 -27.403 -12.610 409 HE1 TRP 60 HE1 TRP 60 -0.421 -29.535 -12.730 410 HE3 TRP 60 HE3 TRP 60 -3.630 -25.349 -12.143 411 HZ2 TRP 60 HZ2 TRP 60 -3.182 -30.272 -12.644 412 HZ3 TRP 60 HZ3 TRP 60 -5.647 -26.789 -12.169 413 HH2 TRP 60 HH2 TRP 60 -5.430 -29.245 -12.420 414 H LEU 61 HN LEU 61 -1.976 -22.189 -12.228 415 HA LEU 61 HA LEU 61 -0.016 -20.306 -13.380 416 HB2 LEU 61 HB2 LEU 61 -2.402 -19.757 -13.730 417 HB3 LEU 61 HB1 LEU 61 -2.650 -19.752 -11.983 418 HG LEU 61 HG LEU 61 -0.977 -17.949 -11.753 419 HD11 LEU 61 HD11 LEU 61 0.499 -17.590 -13.416 420 HD12 LEU 61 HD12 LEU 61 -0.820 -17.090 -14.476 421 HD13 LEU 61 HD13 LEU 61 -0.332 -18.785 -14.414 422 HD21 LEU 61 HD21 LEU 61 -2.299 -16.197 -13.123 423 HD22 LEU 61 HD22 LEU 61 -3.205 -17.144 -11.943 424 HD23 LEU 61 HD23 LEU 61 -3.294 -17.552 -13.656 425 H ASN 62 HN ASN 62 1.319 -19.094 -12.044 426 HA ASN 62 HA ASN 62 1.411 -19.974 -9.238 427 HB2 ASN 62 HB2 ASN 62 3.474 -20.291 -10.491 428 HB3 ASN 62 HB1 ASN 62 3.481 -18.592 -10.959 429 HD21 ASN 62 HD21 ASN 62 3.800 -20.770 -8.142 430 HD22 ASN 62 HD22 ASN 62 4.594 -19.638 -7.158 431 H VAL 63 HN VAL 63 0.840 -18.645 -7.646 432 HA VAL 63 HA VAL 63 0.611 -15.755 -8.241 433 HB VAL 63 HB VAL 63 -1.057 -17.446 -6.362 434 HG11 VAL 63 HG11 VAL 63 -0.572 -14.564 -6.579 435 HG12 VAL 63 HG12 VAL 63 -1.360 -15.475 -5.290 436 HG13 VAL 63 HG13 VAL 63 -2.281 -14.982 -6.712 437 HG21 VAL 63 HG21 VAL 63 -2.888 -16.768 -7.950 438 HG22 VAL 63 HG22 VAL 63 -1.675 -17.817 -8.683 439 HG23 VAL 63 HG23 VAL 63 -1.654 -16.083 -9.006 440 H SER 64 HN SER 64 1.827 -14.430 -7.021 441 HA SER 64 HA SER 64 2.564 -15.160 -4.302 442 HB2 SER 64 HB2 SER 64 4.953 -14.966 -4.674 443 HB3 SER 64 HB1 SER 64 4.312 -16.212 -5.741 444 HG SER 64 HG SER 64 5.573 -14.906 -6.993 445 H HIS 65 HN HIS 65 3.975 -13.313 -3.355 446 HA HIS 65 HA HIS 65 3.464 -10.725 -4.627 447 HB2 HIS 65 HB2 HIS 65 2.334 -9.795 -2.726 448 HB3 HIS 65 HB1 HIS 65 1.490 -11.286 -3.145 449 HD1 HIS 65 HD1 HIS 65 2.099 -13.432 -1.648 450 HD2 HIS 65 HD2 HIS 65 3.430 -9.773 -0.160 451 HE1 HIS 65 HE1 HIS 65 2.698 -13.821 0.782 452 H GLU 66 HN GLU 66 4.628 -8.954 -3.510 453 HA GLU 66 HA GLU 66 7.101 -9.976 -2.273 454 HB2 GLU 66 HB2 GLU 66 7.425 -8.730 -4.358 455 HB3 GLU 66 HB1 GLU 66 6.542 -7.358 -3.690 456 HG2 GLU 66 HG2 GLU 66 8.950 -6.975 -3.477 457 HG3 GLU 66 HG1 GLU 66 8.229 -7.174 -1.880 458 H ALA 67 HN ALA 67 7.570 -9.464 -0.218 459 HA ALA 67 HA ALA 67 6.096 -7.241 1.049 460 HB1 ALA 67 HB1 ALA 67 4.949 -9.036 1.979 461 HB2 ALA 67 HB2 ALA 67 6.243 -8.801 3.154 462 HB3 ALA 67 HB3 ALA 67 6.365 -10.086 1.954
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