NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
587256 | 2mk6 | 19755 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 6.236 1.709 -4.162 2 H2 MET 1 H2 MET 1 5.150 1.425 -2.978 3 H3 MET 1 H3 MET 1 6.599 0.630 -2.979 4 HA MET 1 HA MET 1 6.053 -0.450 -5.057 5 HB2 MET 1 HB2 MET 1 4.655 -2.160 -4.227 6 HB3 MET 1 HB3 MET 1 5.610 -1.604 -2.880 7 HG2 MET 1 HG2 MET 1 3.599 -0.209 -2.153 8 HG3 MET 1 HG3 MET 1 2.663 -1.064 -3.374 9 HE1 MET 1 HE1 MET 1 3.548 -3.866 -3.425 10 HE2 MET 1 HE2 MET 1 2.792 -4.739 -2.077 11 HE3 MET 1 HE3 MET 1 1.835 -3.608 -3.068 12 H GLU 2 H GLU 2 3.696 -1.420 -6.040 13 HA GLU 2 HA GLU 2 2.223 0.968 -7.071 14 HB2 GLU 2 HB2 GLU 2 4.075 -1.033 -8.309 15 HB3 GLU 2 HB3 GLU 2 2.594 -0.870 -9.176 16 HG2 GLU 2 HG2 GLU 2 4.349 1.499 -8.392 17 HG3 GLU 2 HG3 GLU 2 4.468 0.638 -9.919 18 H ILE 3 H ILE 3 -0.027 0.556 -7.142 19 HA ILE 3 HA ILE 3 -0.944 -2.186 -6.370 20 HB ILE 3 HB ILE 3 -2.116 0.480 -5.554 21 HG12 ILE 3 HG12 ILE 3 -0.026 0.246 -4.369 22 HG13 ILE 3 HG13 ILE 3 -1.398 0.011 -3.315 23 HG21 ILE 3 HG21 ILE 3 -2.868 -2.382 -4.803 24 HG22 ILE 3 HG22 ILE 3 -3.408 -0.943 -3.898 25 HG23 ILE 3 HG23 ILE 3 -3.883 -1.151 -5.573 26 HD11 ILE 3 HD11 ILE 3 0.422 -2.170 -4.345 27 HD12 ILE 3 HD12 ILE 3 0.319 -1.535 -2.689 28 HD13 ILE 3 HD13 ILE 3 -1.030 -2.458 -3.357 29 H GLU 4 H GLU 4 -2.954 -2.903 -7.398 30 HA GLU 4 HA GLU 4 -4.356 -1.014 -9.186 31 HB2 GLU 4 HB2 GLU 4 -2.808 -2.437 -10.531 32 HB3 GLU 4 HB3 GLU 4 -3.526 -3.865 -9.795 33 HG2 GLU 4 HG2 GLU 4 -4.381 -3.488 -11.985 34 HG3 GLU 4 HG3 GLU 4 -5.685 -3.345 -10.833 35 H ARG 5 H ARG 5 -6.570 -1.559 -9.456 36 HA ARG 5 HA ARG 5 -7.775 -3.477 -7.491 37 HB2 ARG 5 HB2 ARG 5 -8.059 -1.057 -6.848 38 HB3 ARG 5 HB3 ARG 5 -8.846 -0.766 -8.380 39 HG2 ARG 5 HG2 ARG 5 -10.647 -1.039 -6.942 40 HG3 ARG 5 HG3 ARG 5 -10.543 -2.619 -7.691 41 HD2 ARG 5 HD2 ARG 5 -10.904 -2.987 -5.357 42 HD3 ARG 5 HD3 ARG 5 -9.224 -3.384 -5.643 43 HE ARG 5 HE ARG 5 -8.501 -1.427 -4.549 44 HH11 ARG 5 HH11 ARG 5 -12.067 -1.675 -4.438 45 HH12 ARG 5 HH12 ARG 5 -12.227 -0.510 -3.158 46 HH21 ARG 5 HH21 ARG 5 -8.786 0.241 -2.957 47 HH22 ARG 5 HH22 ARG 5 -10.373 0.556 -2.319 48 H ILE 6 H ILE 6 -7.933 -5.190 -9.103 49 HA ILE 6 HA ILE 6 -8.691 -4.684 -11.815 50 HB ILE 6 HB ILE 6 -8.934 -7.225 -10.167 51 HG12 ILE 6 HG12 ILE 6 -6.654 -6.478 -9.984 52 HG13 ILE 6 HG13 ILE 6 -6.759 -7.843 -11.051 53 HG21 ILE 6 HG21 ILE 6 -8.847 -6.813 -13.173 54 HG22 ILE 6 HG22 ILE 6 -8.745 -8.386 -12.350 55 HG23 ILE 6 HG23 ILE 6 -10.214 -7.409 -12.205 56 HD11 ILE 6 HD11 ILE 6 -5.190 -6.111 -11.897 57 HD12 ILE 6 HD12 ILE 6 -6.530 -6.423 -13.027 58 HD13 ILE 6 HD13 ILE 6 -6.541 -4.975 -11.992 59 H ASN 7 H ASN 7 -10.377 -5.979 -8.972 60 HA ASN 7 HA ASN 7 -12.872 -4.634 -9.543 61 HB2 ASN 7 HB2 ASN 7 -14.296 -6.497 -9.914 62 HB3 ASN 7 HB3 ASN 7 -13.018 -6.606 -11.084 63 HD21 ASN 7 HD22 ASN 7 -14.170 -8.873 -11.067 64 HD22 ASN 7 HD21 ASN 7 -13.377 -10.068 -10.071 65 H GLU 8 H GLU 8 -14.481 -6.227 -7.758 66 HA GLU 8 HA GLU 8 -13.573 -5.171 -5.283 67 HB2 GLU 8 HB2 GLU 8 -15.915 -5.489 -6.045 68 HB3 GLU 8 HB3 GLU 8 -15.747 -7.241 -5.853 69 HG2 GLU 8 HG2 GLU 8 -15.637 -7.086 -3.494 70 HG3 GLU 8 HG3 GLU 8 -15.146 -5.393 -3.542 71 H HIS 9 H HIS 9 -12.661 -8.117 -6.800 72 HA HIS 9 HA HIS 9 -12.140 -9.495 -4.171 73 HB2 HIS 9 HB2 HIS 9 -12.967 -10.718 -6.834 74 HB3 HIS 9 HB3 HIS 9 -12.708 -11.570 -5.309 75 HD1 HIS 9 HD1 HIS 9 -15.516 -10.332 -7.269 76 HD2 HIS 9 HD2 HIS 9 -14.408 -10.243 -3.210 77 HE1 HIS 9 HE1 HIS 9 -17.658 -9.986 -5.940 78 H THR 10 H THR 10 -11.094 -9.362 -7.634 79 HA THR 10 HA THR 10 -8.442 -10.370 -6.903 80 HB THR 10 HB THR 10 -9.458 -9.224 -9.528 81 HG1 THR 10 HG1 THR 10 -9.881 -11.384 -10.079 82 HG21 THR 10 HG21 THR 10 -6.950 -9.334 -9.279 83 HG22 THR 10 HG22 THR 10 -7.096 -11.057 -8.913 84 HG23 THR 10 HG23 THR 10 -7.557 -10.440 -10.521 85 H VAL 11 H VAL 11 -6.770 -9.090 -6.476 86 HA VAL 11 HA VAL 11 -6.728 -6.305 -7.439 87 HB VAL 11 HB VAL 11 -5.587 -5.535 -5.400 88 HG11 VAL 11 HG11 VAL 11 -8.332 -6.666 -4.699 89 HG12 VAL 11 HG12 VAL 11 -7.539 -5.226 -4.016 90 HG13 VAL 11 HG13 VAL 11 -8.064 -5.243 -5.711 91 HG21 VAL 11 HG21 VAL 11 -6.415 -8.178 -4.114 92 HG22 VAL 11 HG22 VAL 11 -4.751 -7.664 -4.474 93 HG23 VAL 11 HG23 VAL 11 -5.706 -6.773 -3.282 94 H LYS 12 H LYS 12 -4.386 -5.670 -7.789 95 HA LYS 12 HA LYS 12 -2.505 -7.825 -7.296 96 HB2 LYS 12 HB2 LYS 12 -1.535 -7.973 -9.439 97 HB3 LYS 12 HB3 LYS 12 -3.251 -8.254 -9.682 98 HG2 LYS 12 HG2 LYS 12 -3.508 -5.960 -10.497 99 HG3 LYS 12 HG3 LYS 12 -1.764 -5.687 -10.292 100 HD2 LYS 12 HD2 LYS 12 -1.312 -7.632 -11.810 101 HD3 LYS 12 HD3 LYS 12 -3.066 -7.769 -12.129 102 HE2 LYS 12 HE2 LYS 12 -3.132 -5.545 -13.104 103 HE3 LYS 12 HE3 LYS 12 -1.513 -5.203 -12.460 104 HZ1 LYS 12 HZ1 LYS 12 -0.551 -6.714 -14.004 105 HZ2 LYS 12 HZ2 LYS 12 -2.023 -7.212 -14.578 106 HZ3 LYS 12 HZ3 LYS 12 -1.495 -5.685 -14.855 107 H PHE 13 H PHE 13 -0.257 -7.012 -7.593 108 HA PHE 13 HA PHE 13 0.024 -4.098 -7.548 109 HB2 PHE 13 HB2 PHE 13 1.201 -4.123 -5.385 110 HB3 PHE 13 HB3 PHE 13 -0.473 -4.589 -5.204 111 HD1 PHE 13 HD1 PHE 13 -1.056 -6.934 -4.665 112 HD2 PHE 13 HD2 PHE 13 3.035 -5.630 -4.991 113 HE1 PHE 13 HE1 PHE 13 -0.307 -8.897 -3.304 114 HE2 PHE 13 HE2 PHE 13 3.760 -7.571 -3.610 115 HZ PHE 13 HZ PHE 13 2.064 -9.143 -2.700 116 H TYR 14 H TYR 14 2.412 -3.600 -7.475 117 HA TYR 14 HA TYR 14 4.071 -5.802 -8.578 118 HB2 TYR 14 HB2 TYR 14 3.464 -4.511 -10.474 119 HB3 TYR 14 HB3 TYR 14 3.663 -3.002 -9.632 120 HD1 TYR 14 HD1 TYR 14 5.474 -5.983 -10.909 121 HD2 TYR 14 HD2 TYR 14 5.804 -1.984 -9.370 122 HE1 TYR 14 HE1 TYR 14 7.846 -6.005 -11.508 123 HE2 TYR 14 HE2 TYR 14 8.266 -1.994 -9.899 124 HH TYR 14 HH TYR 14 9.854 -4.728 -11.630 125 H MET 15 H MET 15 5.961 -5.980 -7.631 126 HA MET 15 HA MET 15 6.631 -4.115 -5.396 127 HB2 MET 15 HB2 MET 15 5.422 -6.370 -4.857 128 HB3 MET 15 HB3 MET 15 6.937 -7.125 -5.343 129 HG2 MET 15 HG2 MET 15 7.144 -6.849 -3.064 130 HG3 MET 15 HG3 MET 15 8.022 -5.461 -3.698 131 HE1 MET 15 HE1 MET 15 6.425 -6.442 -0.882 132 HE2 MET 15 HE2 MET 15 7.513 -5.044 -0.742 133 HE3 MET 15 HE3 MET 15 5.800 -4.916 -0.219 134 H SER 16 H SER 16 8.508 -3.205 -6.070 135 HA SER 16 HA SER 16 10.386 -4.552 -7.846 136 HB2 SER 16 HB2 SER 16 10.900 -2.118 -6.143 137 HB3 SER 16 HB3 SER 16 11.699 -2.568 -7.661 138 HG SER 16 HG SER 16 10.124 -0.882 -7.925 139 H TYR 17 H TYR 17 12.500 -5.324 -7.155 140 HA TYR 17 HA TYR 17 12.619 -6.727 -4.736 141 HB2 TYR 17 HB2 TYR 17 14.952 -5.566 -6.289 142 HB3 TYR 17 HB3 TYR 17 15.049 -6.868 -5.101 143 HD1 TYR 17 HD1 TYR 17 12.369 -8.294 -6.105 144 HD2 TYR 17 HD2 TYR 17 15.926 -6.827 -8.086 145 HE1 TYR 17 HE1 TYR 17 12.066 -9.949 -7.868 146 HE2 TYR 17 HE2 TYR 17 15.593 -8.465 -9.893 147 HH TYR 17 HH TYR 17 14.281 -10.276 -10.689 148 H GLY 18 H GLY 18 13.658 -3.346 -5.307 149 HA2 GLY 18 HA2 GLY 18 14.807 -2.995 -2.735 150 HA3 GLY 18 HA3 GLY 18 14.251 -1.735 -3.807 151 H ASP 19 H ASP 19 11.364 -2.930 -3.742 152 HA ASP 19 HA ASP 19 10.413 -1.508 -1.372 153 HB2 ASP 19 HB2 ASP 19 9.164 -2.998 -3.668 154 HB3 ASP 19 HB3 ASP 19 8.308 -3.103 -2.159 155 H ILE 20 H ILE 20 11.279 -4.802 -2.216 156 HA ILE 20 HA ILE 20 10.054 -6.018 0.129 157 HB ILE 20 HB ILE 20 11.986 -7.106 -1.993 158 HG12 ILE 20 HG12 ILE 20 8.966 -7.438 -1.743 159 HG13 ILE 20 HG13 ILE 20 9.756 -6.301 -2.835 160 HG21 ILE 20 HG21 ILE 20 12.037 -8.410 0.109 161 HG22 ILE 20 HG22 ILE 20 10.267 -8.611 0.018 162 HG23 ILE 20 HG23 ILE 20 11.309 -9.327 -1.216 163 HD11 ILE 20 HD11 ILE 20 9.872 -9.304 -3.049 164 HD12 ILE 20 HD12 ILE 20 9.120 -8.121 -4.149 165 HD13 ILE 20 HD13 ILE 20 10.884 -8.177 -4.000 166 H GLU 21 H GLU 21 13.350 -5.120 -0.976 167 HA GLU 21 HA GLU 21 14.854 -5.813 1.279 168 HB2 GLU 21 HB2 GLU 21 15.090 -3.507 -0.668 169 HB3 GLU 21 HB3 GLU 21 16.327 -3.856 0.506 170 HG2 GLU 21 HG2 GLU 21 15.436 -6.086 -1.332 171 HG3 GLU 21 HG3 GLU 21 16.388 -4.770 -1.947 172 H ASP 22 H ASP 22 13.022 -2.826 0.574 173 HA ASP 22 HA ASP 22 13.860 -1.233 2.728 174 HB2 ASP 22 HB2 ASP 22 12.493 -0.431 0.821 175 HB3 ASP 22 HB3 ASP 22 11.111 -1.329 1.424 176 H ARG 23 H ARG 23 11.150 -3.448 2.475 177 HA ARG 23 HA ARG 23 10.277 -3.199 5.236 178 HB2 ARG 23 HB2 ARG 23 9.652 -5.188 3.014 179 HB3 ARG 23 HB3 ARG 23 8.850 -5.185 4.605 180 HG2 ARG 23 HG2 ARG 23 7.857 -3.067 4.254 181 HG3 ARG 23 HG3 ARG 23 8.872 -2.717 2.850 182 HD2 ARG 23 HD2 ARG 23 7.791 -4.448 1.530 183 HD3 ARG 23 HD3 ARG 23 6.824 -4.960 2.909 184 HE ARG 23 HE ARG 23 5.452 -3.079 2.719 185 HH11 ARG 23 HH21 ARG 23 8.236 -2.575 0.527 186 HH12 ARG 23 HH22 ARG 23 7.456 -1.291 -0.345 187 HH21 ARG 23 HH11 ARG 23 4.566 -1.398 1.804 188 HH22 ARG 23 HH12 ARG 23 5.308 -0.485 0.504 189 H GLY 24 H GLY 24 13.046 -4.566 3.961 190 HA2 GLY 24 HA2 GLY 24 14.698 -5.725 4.998 191 HA3 GLY 24 HA3 GLY 24 13.671 -5.891 6.423 192 H PHE 25 H PHE 25 12.190 -6.975 3.508 193 HA PHE 25 HA PHE 25 12.680 -9.847 4.155 194 HB2 PHE 25 HB2 PHE 25 10.735 -8.510 2.247 195 HB3 PHE 25 HB3 PHE 25 10.928 -10.255 2.423 196 HD1 PHE 25 HD2 PHE 25 9.898 -7.142 4.147 197 HD2 PHE 25 HD1 PHE 25 9.781 -11.461 4.276 198 HE1 PHE 25 HE2 PHE 25 8.510 -7.050 6.187 199 HE2 PHE 25 HE1 PHE 25 8.506 -11.354 6.338 200 HZ PHE 25 HZ PHE 25 7.831 -9.159 7.326 201 H ASP 26 H ASP 26 12.762 -11.009 1.702 202 HA ASP 26 HA ASP 26 14.750 -9.588 0.016 203 HB2 ASP 26 HB2 ASP 26 15.770 -11.460 1.678 204 HB3 ASP 26 HB3 ASP 26 15.037 -12.532 0.522 205 H ARG 27 H ARG 27 14.427 -10.215 -2.222 206 HA ARG 27 HA ARG 27 11.805 -11.017 -2.945 207 HB2 ARG 27 HB2 ARG 27 12.618 -11.034 -5.214 208 HB3 ARG 27 HB3 ARG 27 13.554 -9.787 -4.383 209 HG2 ARG 27 HG2 ARG 27 15.322 -11.646 -3.981 210 HG3 ARG 27 HG3 ARG 27 14.400 -12.601 -5.155 211 HD2 ARG 27 HD2 ARG 27 14.916 -11.020 -6.911 212 HD3 ARG 27 HD3 ARG 27 15.725 -9.940 -5.741 213 HE ARG 27 HE ARG 27 16.838 -12.535 -5.460 214 HH11 ARG 27 HH21 ARG 27 16.912 -9.943 -7.901 215 HH12 ARG 27 HH22 ARG 27 18.472 -10.407 -8.499 216 HH21 ARG 27 HH11 ARG 27 18.742 -13.137 -6.179 217 HH22 ARG 27 HH12 ARG 27 19.583 -12.320 -7.483 218 H GLU 28 H GLU 28 14.710 -13.022 -2.321 219 HA GLU 28 HA GLU 28 13.510 -15.479 -3.313 220 HB2 GLU 28 HB2 GLU 28 16.015 -14.606 -1.824 221 HB3 GLU 28 HB3 GLU 28 15.678 -16.303 -2.106 222 HG2 GLU 28 HG2 GLU 28 15.655 -16.003 -4.490 223 HG3 GLU 28 HG3 GLU 28 15.585 -14.286 -4.357 224 H GLU 29 H GLU 29 14.156 -13.938 -0.163 225 HA GLU 29 HA GLU 29 13.397 -16.112 1.464 226 HB2 GLU 29 HB2 GLU 29 13.484 -13.098 1.881 227 HB3 GLU 29 HB3 GLU 29 13.131 -14.143 3.197 228 HG2 GLU 29 HG2 GLU 29 15.659 -14.491 1.546 229 HG3 GLU 29 HG3 GLU 29 15.509 -13.428 2.922 230 H ILE 30 H ILE 30 11.530 -13.481 0.135 231 HA ILE 30 HA ILE 30 9.032 -13.907 1.389 232 HB ILE 30 HB ILE 30 9.667 -13.173 -1.475 233 HG12 ILE 30 HG12 ILE 30 10.259 -11.664 0.618 234 HG13 ILE 30 HG13 ILE 30 9.655 -11.019 -0.885 235 HG21 ILE 30 HG21 ILE 30 6.925 -13.149 -0.143 236 HG22 ILE 30 HG22 ILE 30 7.347 -12.296 -1.661 237 HG23 ILE 30 HG23 ILE 30 7.428 -14.046 -1.575 238 HD11 ILE 30 HD11 ILE 30 7.930 -11.557 1.585 239 HD12 ILE 30 HD12 ILE 30 8.652 -9.984 1.185 240 HD13 ILE 30 HD13 ILE 30 7.442 -10.673 0.114 241 H TRP 31 H TRP 31 10.403 -15.660 -1.473 242 HA TRP 31 HA TRP 31 8.025 -17.368 -1.580 243 HB2 TRP 31 HB2 TRP 31 10.605 -17.555 -3.136 244 HB3 TRP 31 HB3 TRP 31 9.092 -18.342 -3.543 245 HD1 TRP 31 HD1 TRP 31 11.041 -15.745 -4.754 246 HE1 TRP 31 HE1 TRP 31 9.830 -13.656 -5.598 247 HE3 TRP 31 HE3 TRP 31 6.325 -16.807 -3.047 248 HZ2 TRP 31 HZ2 TRP 31 7.182 -12.506 -5.398 249 HZ3 TRP 31 HZ3 TRP 31 4.457 -15.231 -3.484 250 HH2 TRP 31 HH2 TRP 31 4.864 -13.085 -4.640 251 H TYR 32 H TYR 32 11.285 -17.612 -0.289 252 HA TYR 32 HA TYR 32 11.160 -20.534 -0.199 253 HB2 TYR 32 HB2 TYR 32 13.368 -18.606 0.558 254 HB3 TYR 32 HB3 TYR 32 13.539 -20.343 0.369 255 HD1 TYR 32 HD2 TYR 32 11.524 -19.964 -2.341 256 HD2 TYR 32 HD1 TYR 32 15.384 -18.570 -0.976 257 HE1 TYR 32 HE2 TYR 32 12.165 -19.482 -4.649 258 HE2 TYR 32 HE1 TYR 32 16.095 -18.297 -3.305 259 HH TYR 32 HH TYR 32 13.890 -18.859 -6.105 260 H ASN 33 H ASN 33 10.509 -17.960 2.000 261 HA ASN 33 HA ASN 33 10.302 -19.803 4.338 262 HB2 ASN 33 HB2 ASN 33 9.725 -16.838 3.933 263 HB3 ASN 33 HB3 ASN 33 9.394 -17.680 5.419 264 HD21 ASN 33 HD22 ASN 33 11.821 -16.125 3.610 265 HD22 ASN 33 HD21 ASN 33 13.166 -16.350 4.721 266 H ARG 34 H ARG 34 7.823 -19.125 5.345 267 HA ARG 34 HA ARG 34 5.858 -19.174 3.080 268 HB2 ARG 34 HB2 ARG 34 6.121 -21.482 3.641 269 HB3 ARG 34 HB3 ARG 34 5.993 -21.166 5.380 270 HG2 ARG 34 HG2 ARG 34 3.664 -20.620 5.227 271 HG3 ARG 34 HG3 ARG 34 3.717 -20.533 3.463 272 HD2 ARG 34 HD2 ARG 34 4.186 -22.956 3.343 273 HD3 ARG 34 HD3 ARG 34 4.216 -23.040 5.119 274 HE ARG 34 HE ARG 34 1.741 -21.916 4.298 275 HH11 ARG 34 HH21 ARG 34 3.409 -25.060 4.178 276 HH12 ARG 34 HH22 ARG 34 1.951 -25.990 4.158 277 HH21 ARG 34 HH11 ARG 34 -0.195 -23.154 4.287 278 HH22 ARG 34 HH12 ARG 34 -0.143 -24.880 4.224 279 H GLU 35 H GLU 35 6.336 -18.887 6.603 280 HA GLU 35 HA GLU 35 3.893 -17.401 6.989 281 HB2 GLU 35 HB2 GLU 35 4.730 -17.035 9.253 282 HB3 GLU 35 HB3 GLU 35 4.869 -18.728 8.806 283 HG2 GLU 35 HG2 GLU 35 7.207 -16.759 8.815 284 HG3 GLU 35 HG3 GLU 35 6.768 -17.783 10.161 285 H ARG 36 H ARG 36 7.270 -16.590 6.218 286 HA ARG 36 HA ARG 36 6.876 -13.732 6.692 287 HB2 ARG 36 HB2 ARG 36 9.157 -15.322 5.493 288 HB3 ARG 36 HB3 ARG 36 9.149 -13.610 5.684 289 HG2 ARG 36 HG2 ARG 36 9.210 -15.737 7.844 290 HG3 ARG 36 HG3 ARG 36 10.347 -14.420 7.543 291 HD2 ARG 36 HD2 ARG 36 8.611 -12.779 8.305 292 HD3 ARG 36 HD3 ARG 36 7.538 -14.150 8.680 293 HE ARG 36 HE ARG 36 10.105 -14.405 9.963 294 HH11 ARG 36 HH11 ARG 36 6.907 -12.775 10.257 295 HH12 ARG 36 HH12 ARG 36 7.043 -12.599 11.973 296 HH21 ARG 36 HH21 ARG 36 10.223 -14.167 12.238 297 HH22 ARG 36 HH22 ARG 36 8.947 -13.411 13.121 298 H SER 37 H SER 37 6.109 -15.875 4.097 299 HA SER 37 HA SER 37 6.215 -13.849 2.065 300 HB2 SER 37 HB2 SER 37 4.147 -15.977 1.850 301 HB3 SER 37 HB3 SER 37 5.297 -15.403 0.656 302 HG SER 37 HG SER 37 6.839 -16.675 1.472 303 H GLU 38 H GLU 38 3.792 -15.022 4.450 304 HA GLU 38 HA GLU 38 1.527 -13.844 3.503 305 HB2 GLU 38 HB2 GLU 38 1.989 -15.560 5.408 306 HB3 GLU 38 HB3 GLU 38 2.057 -14.124 6.450 307 HG2 GLU 38 HG2 GLU 38 -0.175 -13.466 5.559 308 HG3 GLU 38 HG3 GLU 38 -0.246 -14.964 4.635 309 H GLU 39 H GLU 39 4.061 -12.345 5.208 310 HA GLU 39 HA GLU 39 2.782 -10.056 6.284 311 HB2 GLU 39 HB2 GLU 39 5.642 -10.002 5.354 312 HB3 GLU 39 HB3 GLU 39 4.962 -9.368 6.840 313 HG2 GLU 39 HG2 GLU 39 5.494 -12.294 6.252 314 HG3 GLU 39 HG3 GLU 39 6.535 -11.216 7.046 315 H LEU 40 H LEU 40 4.059 -10.843 3.103 316 HA LEU 40 HA LEU 40 4.259 -8.123 2.097 317 HB2 LEU 40 HB2 LEU 40 5.359 -10.273 1.180 318 HB3 LEU 40 HB3 LEU 40 3.782 -10.693 0.572 319 HG LEU 40 HG LEU 40 5.817 -8.837 -0.507 320 HD11 LEU 40 HD11 LEU 40 4.920 -9.539 -2.618 321 HD12 LEU 40 HD12 LEU 40 5.254 -10.914 -1.560 322 HD13 LEU 40 HD13 LEU 40 3.584 -10.387 -1.793 323 HD21 LEU 40 HD21 LEU 40 2.947 -7.969 -0.860 324 HD22 LEU 40 HD22 LEU 40 4.161 -7.109 0.121 325 HD23 LEU 40 HD23 LEU 40 4.401 -7.274 -1.601 326 H PHE 41 H PHE 41 1.857 -10.760 2.163 327 HA PHE 41 HA PHE 41 -0.056 -9.433 0.511 328 HB2 PHE 41 HB2 PHE 41 -0.742 -11.615 2.477 329 HB3 PHE 41 HB3 PHE 41 -1.406 -11.340 0.887 330 HD1 PHE 41 HD2 PHE 41 1.495 -11.085 -0.502 331 HD2 PHE 41 HD1 PHE 41 -0.203 -13.886 2.283 332 HE1 PHE 41 HE2 PHE 41 3.152 -12.765 -1.170 333 HE2 PHE 41 HE1 PHE 41 1.325 -15.645 1.439 334 HZ PHE 41 HZ PHE 41 3.007 -15.096 -0.307 335 H TRP 42 H TRP 42 0.320 -9.862 4.075 336 HA TRP 42 HA TRP 42 -1.923 -8.340 4.867 337 HB2 TRP 42 HB2 TRP 42 0.789 -8.848 6.099 338 HB3 TRP 42 HB3 TRP 42 -0.358 -7.780 6.878 339 HD1 TRP 42 HD1 TRP 42 0.530 -11.336 6.757 340 HE1 TRP 42 HE1 TRP 42 -1.250 -12.835 7.775 341 HE3 TRP 42 HE3 TRP 42 -3.268 -7.920 7.036 342 HZ2 TRP 42 HZ2 TRP 42 -4.036 -12.585 8.614 343 HZ3 TRP 42 HZ3 TRP 42 -5.492 -8.586 7.923 344 HH2 TRP 42 HH2 TRP 42 -5.883 -10.910 8.716 345 H GLU 43 H GLU 43 1.332 -7.167 3.796 346 HA GLU 43 HA GLU 43 0.888 -4.452 4.441 347 HB2 GLU 43 HB2 GLU 43 2.863 -6.059 2.937 348 HB3 GLU 43 HB3 GLU 43 2.596 -4.497 2.191 349 HG2 GLU 43 HG2 GLU 43 3.197 -4.846 5.154 350 HG3 GLU 43 HG3 GLU 43 4.445 -4.666 3.922 351 H VAL 44 H VAL 44 -0.475 -6.338 1.736 352 HA VAL 44 HA VAL 44 -1.131 -3.830 0.335 353 HB VAL 44 HB VAL 44 -1.802 -5.372 -1.429 354 HG11 VAL 44 HG11 VAL 44 1.094 -5.680 -0.489 355 HG12 VAL 44 HG12 VAL 44 0.532 -5.739 -2.165 356 HG13 VAL 44 HG13 VAL 44 0.447 -4.206 -1.267 357 HG21 VAL 44 HG21 VAL 44 -2.033 -7.497 -0.193 358 HG22 VAL 44 HG22 VAL 44 -0.951 -7.593 -1.577 359 HG23 VAL 44 HG23 VAL 44 -0.247 -7.461 0.032 360 H MET 45 H MET 45 -2.681 -6.717 1.726 361 HA MET 45 HA MET 45 -5.387 -5.890 1.474 362 HB2 MET 45 HB2 MET 45 -3.780 -7.504 3.496 363 HB3 MET 45 HB3 MET 45 -5.398 -6.974 3.933 364 HG2 MET 45 HG2 MET 45 -5.532 -9.175 3.001 365 HG3 MET 45 HG3 MET 45 -6.353 -7.984 1.995 366 HE1 MET 45 HE1 MET 45 -5.321 -7.104 -0.407 367 HE2 MET 45 HE2 MET 45 -4.974 -8.498 -1.445 368 HE3 MET 45 HE3 MET 45 -6.446 -8.481 -0.447 369 H ASP 46 H ASP 46 -2.903 -4.980 3.880 370 HA ASP 46 HA ASP 46 -4.327 -3.129 5.407 371 HB2 ASP 46 HB2 ASP 46 -2.047 -3.741 5.932 372 HB3 ASP 46 HB3 ASP 46 -1.451 -2.962 4.476 373 H GLU 47 H GLU 47 -2.752 -2.543 2.210 374 HA GLU 47 HA GLU 47 -3.300 0.225 2.085 375 HB2 GLU 47 HB2 GLU 47 -2.232 -1.949 0.363 376 HB3 GLU 47 HB3 GLU 47 -3.137 -0.780 -0.542 377 HG2 GLU 47 HG2 GLU 47 -0.794 -0.187 1.303 378 HG3 GLU 47 HG3 GLU 47 -0.720 -0.335 -0.437 379 H VAL 48 H VAL 48 -5.493 -2.317 2.050 380 HA VAL 48 HA VAL 48 -7.567 -0.760 0.572 381 HB VAL 48 HB VAL 48 -7.227 -3.794 0.603 382 HG11 VAL 48 HG11 VAL 48 -9.533 -3.159 0.124 383 HG12 VAL 48 HG12 VAL 48 -9.006 -1.951 -1.055 384 HG13 VAL 48 HG13 VAL 48 -8.794 -3.698 -1.364 385 HG21 VAL 48 HG21 VAL 48 -6.485 -1.889 -1.660 386 HG22 VAL 48 HG22 VAL 48 -5.358 -2.868 -0.699 387 HG23 VAL 48 HG23 VAL 48 -6.507 -3.675 -1.740 388 H HIS 49 H HIS 49 -6.600 -1.928 3.566 389 HA HIS 49 HA HIS 49 -8.549 -3.537 4.347 390 HB2 HIS 49 HB2 HIS 49 -6.407 -2.945 5.537 391 HB3 HIS 49 HB3 HIS 49 -7.286 -1.643 6.338 392 HD1 HIS 49 HD1 HIS 49 -8.465 -2.447 8.586 393 HD2 HIS 49 HD2 HIS 49 -7.622 -5.490 5.801 394 HE1 HIS 49 HE1 HIS 49 -9.136 -4.635 9.699 395 H GLU 50 H GLU 50 -8.958 -0.028 4.374 396 HA GLU 50 HA GLU 50 -11.270 0.078 6.061 397 HB2 GLU 50 HB2 GLU 50 -10.331 1.904 3.810 398 HB3 GLU 50 HB3 GLU 50 -11.642 2.294 4.930 399 HG2 GLU 50 HG2 GLU 50 -10.056 2.098 6.853 400 HG3 GLU 50 HG3 GLU 50 -8.731 1.830 5.717 401 H GLU 51 H GLU 51 -10.895 -1.225 2.906 402 HA GLU 51 HA GLU 51 -13.829 -1.333 2.497 403 HB2 GLU 51 HB2 GLU 51 -11.506 -1.519 0.547 404 HB3 GLU 51 HB3 GLU 51 -13.173 -1.953 0.152 405 HG2 GLU 51 HG2 GLU 51 -13.955 0.291 0.670 406 HG3 GLU 51 HG3 GLU 51 -12.362 0.778 1.226 407 H GLU 52 H GLU 52 -10.774 -3.228 2.803 408 HA GLU 52 HA GLU 52 -11.871 -5.783 2.227 409 HB2 GLU 52 HB2 GLU 52 -9.709 -5.169 4.216 410 HB3 GLU 52 HB3 GLU 52 -10.096 -6.740 3.596 411 HG2 GLU 52 HG2 GLU 52 -9.120 -4.447 1.875 412 HG3 GLU 52 HG3 GLU 52 -8.147 -5.755 2.486 413 H GLU 53 H GLU 53 -12.155 -3.744 5.156 414 HA GLU 53 HA GLU 53 -13.083 -5.700 6.932 415 HB2 GLU 53 HB2 GLU 53 -14.105 -3.887 8.181 416 HB3 GLU 53 HB3 GLU 53 -12.485 -3.461 7.646 417 HG2 GLU 53 HG2 GLU 53 -13.413 -2.075 5.836 418 HG3 GLU 53 HG3 GLU 53 -15.052 -2.549 6.274 419 H PHE 54 H PHE 54 -14.740 -4.461 4.087 420 HA PHE 54 HA PHE 54 -17.395 -5.328 5.003 421 HB2 PHE 54 HB2 PHE 54 -16.488 -4.523 2.221 422 HB3 PHE 54 HB3 PHE 54 -18.141 -4.624 2.801 423 HD1 PHE 54 HD2 PHE 54 -18.127 -3.143 5.364 424 HD2 PHE 54 HD1 PHE 54 -16.086 -2.298 1.650 425 HE1 PHE 54 HE2 PHE 54 -18.079 -0.733 5.936 426 HE2 PHE 54 HE1 PHE 54 -16.059 0.118 2.227 427 HZ PHE 54 HZ PHE 54 -17.048 0.901 4.371 428 H ALA 55 H ALA 55 -14.637 -6.910 3.753 429 HA ALA 55 HA ALA 55 -16.230 -9.111 2.532 430 HB1 ALA 55 HB1 ALA 55 -14.680 -9.072 0.621 431 HB2 ALA 55 HB2 ALA 55 -15.463 -7.487 0.788 432 HB3 ALA 55 HB3 ALA 55 -13.792 -7.709 1.344 433 H VAL 56 H VAL 56 -14.102 -8.462 4.929 434 HA VAL 56 HA VAL 56 -12.421 -10.772 4.607 435 HB VAL 56 HB VAL 56 -11.551 -8.874 5.709 436 HG11 VAL 56 HG11 VAL 56 -13.613 -7.945 6.741 437 HG12 VAL 56 HG12 VAL 56 -13.533 -9.204 7.983 438 HG13 VAL 56 HG13 VAL 56 -12.226 -8.014 7.840 439 HG21 VAL 56 HG21 VAL 56 -11.911 -11.161 7.666 440 HG22 VAL 56 HG22 VAL 56 -10.776 -11.124 6.307 441 HG23 VAL 56 HG23 VAL 56 -10.582 -9.970 7.645 442 H GLU 57 H GLU 57 -14.094 -12.190 4.019 443 HA GLU 57 HA GLU 57 -15.149 -13.705 6.332 444 HB2 GLU 57 HB2 GLU 57 -17.355 -13.854 5.187 445 HB3 GLU 57 HB3 GLU 57 -16.983 -12.276 5.838 446 HG2 GLU 57 HG2 GLU 57 -16.687 -11.277 3.755 447 HG3 GLU 57 HG3 GLU 57 -16.361 -12.791 2.925 448 H GLY 58 H GLY 58 -12.947 -14.012 4.289 449 HA2 GLY 58 HA2 GLY 58 -13.241 -16.800 3.885 450 HA3 GLY 58 HA3 GLY 58 -13.414 -15.973 2.331 451 HA PRO 59 HA PRO 59 -8.932 -16.584 3.630 452 HB2 PRO 59 HB2 PRO 59 -8.078 -18.359 1.761 453 HB3 PRO 59 HB3 PRO 59 -9.012 -18.861 3.205 454 HG2 PRO 59 HG2 PRO 59 -10.082 -18.238 0.429 455 HG3 PRO 59 HG3 PRO 59 -10.343 -19.699 1.412 456 HD2 PRO 59 HD2 PRO 59 -12.157 -17.703 1.395 457 HD3 PRO 59 HD3 PRO 59 -11.771 -18.576 2.910 458 H LEU 60 H LEU 60 -6.959 -16.097 2.437 459 HA LEU 60 HA LEU 60 -7.289 -14.322 0.059 460 HB2 LEU 60 HB2 LEU 60 -4.851 -14.910 1.798 461 HB3 LEU 60 HB3 LEU 60 -4.853 -13.880 0.377 462 HG LEU 60 HG LEU 60 -6.362 -13.334 2.962 463 HD11 LEU 60 HD11 LEU 60 -3.942 -11.960 1.705 464 HD12 LEU 60 HD12 LEU 60 -4.751 -11.498 3.218 465 HD13 LEU 60 HD13 LEU 60 -3.910 -13.050 3.110 466 HD21 LEU 60 HD21 LEU 60 -6.820 -11.091 1.956 467 HD22 LEU 60 HD22 LEU 60 -6.190 -11.677 0.403 468 HD23 LEU 60 HD23 LEU 60 -7.653 -12.396 1.120 469 H TRP 61 H TRP 61 -5.958 -14.751 -1.749 470 HA TRP 61 HA TRP 61 -4.872 -17.488 -2.183 471 HB2 TRP 61 HB2 TRP 61 -6.865 -15.869 -3.764 472 HB3 TRP 61 HB3 TRP 61 -6.077 -17.223 -4.483 473 HD1 TRP 61 HD1 TRP 61 -8.806 -16.191 -2.076 474 HE1 TRP 61 HE1 TRP 61 -10.419 -18.162 -1.671 475 HE3 TRP 61 HE3 TRP 61 -6.146 -19.846 -4.390 476 HZ2 TRP 61 HZ2 TRP 61 -10.490 -21.024 -2.248 477 HZ3 TRP 61 HZ3 TRP 61 -6.983 -22.202 -4.463 478 HH2 TRP 61 HH2 TRP 61 -9.147 -22.791 -3.388 479 H ILE 62 H ILE 62 -3.017 -17.287 -3.649 480 HA ILE 62 HA ILE 62 -2.397 -14.509 -4.522 481 HB ILE 62 HB ILE 62 -0.143 -16.181 -3.521 482 HG12 ILE 62 HG12 ILE 62 -1.644 -16.503 -1.594 483 HG13 ILE 62 HG13 ILE 62 -0.171 -15.637 -1.263 484 HG21 ILE 62 HG21 ILE 62 0.256 -14.018 -4.544 485 HG22 ILE 62 HG22 ILE 62 -0.802 -13.214 -3.375 486 HG23 ILE 62 HG23 ILE 62 0.723 -13.951 -2.837 487 HD11 ILE 62 HD11 ILE 62 -1.393 -13.488 -1.145 488 HD12 ILE 62 HD12 ILE 62 -2.911 -14.352 -1.467 489 HD13 ILE 62 HD13 ILE 62 -2.000 -14.687 0.004 490 H GLN 63 H GLN 63 -1.351 -14.363 -6.479 491 HA GLN 63 HA GLN 63 0.055 -16.736 -7.558 492 HB2 GLN 63 HB2 GLN 63 -2.219 -16.649 -8.611 493 HB3 GLN 63 HB3 GLN 63 -1.877 -15.019 -9.184 494 HG2 GLN 63 HG2 GLN 63 -0.048 -15.884 -10.607 495 HG3 GLN 63 HG3 GLN 63 -0.301 -17.512 -9.970 496 HE21 GLN 63 HE22 GLN 63 -2.350 -18.641 -10.545 497 HE22 GLN 63 HE21 GLN 63 -3.241 -18.141 -11.964 498 H VAL 64 H VAL 64 1.856 -16.000 -9.069 499 HA VAL 64 HA VAL 64 2.480 -13.111 -8.903 500 HB VAL 64 HB VAL 64 3.293 -14.165 -6.837 501 HG11 VAL 64 HG11 VAL 64 5.258 -15.615 -6.841 502 HG12 VAL 64 HG12 VAL 64 3.920 -16.421 -7.664 503 HG13 VAL 64 HG13 VAL 64 5.245 -15.706 -8.610 504 HG21 VAL 64 HG21 VAL 64 4.343 -12.139 -7.792 505 HG22 VAL 64 HG22 VAL 64 5.448 -13.127 -6.871 506 HG23 VAL 64 HG23 VAL 64 5.542 -13.169 -8.622 507 H GLN 65 H GLN 65 4.263 -12.472 -10.440 508 HA GLN 65 HA GLN 65 5.585 -14.665 -11.809 509 HB2 GLN 65 HB2 GLN 65 5.531 -13.455 -13.958 510 HB3 GLN 65 HB3 GLN 65 3.994 -14.196 -13.554 511 HG2 GLN 65 HG2 GLN 65 4.435 -11.261 -12.905 512 HG3 GLN 65 HG3 GLN 65 4.170 -11.740 -14.565 513 HE21 GLN 65 HE22 GLN 65 2.563 -11.352 -11.449 514 HE22 GLN 65 HE21 GLN 65 0.972 -11.646 -12.130 515 H ALA 66 H ALA 66 7.721 -13.943 -12.474 516 HA ALA 66 HA ALA 66 8.609 -11.532 -10.968 517 HB1 ALA 66 HB1 ALA 66 9.618 -13.712 -10.316 518 HB2 ALA 66 HB2 ALA 66 10.265 -13.876 -11.968 519 HB3 ALA 66 HB3 ALA 66 10.796 -12.540 -10.918 520 H LEU 67 H LEU 67 9.790 -9.984 -11.916 521 HA LEU 67 HA LEU 67 9.962 -9.813 -14.876 522 HB2 LEU 67 HB2 LEU 67 9.131 -7.681 -12.844 523 HB3 LEU 67 HB3 LEU 67 9.322 -7.431 -14.559 524 HG LEU 67 HG LEU 67 7.525 -9.489 -14.652 525 HD11 LEU 67 HD11 LEU 67 5.762 -9.066 -13.017 526 HD12 LEU 67 HD12 LEU 67 7.233 -9.716 -12.298 527 HD13 LEU 67 HD13 LEU 67 6.863 -7.975 -12.137 528 HD21 LEU 67 HD21 LEU 67 7.259 -7.263 -15.749 529 HD22 LEU 67 HD22 LEU 67 5.768 -7.791 -14.944 530 HD23 LEU 67 HD23 LEU 67 6.801 -6.563 -14.173 531 H ASP 68 H ASP 68 11.410 -7.520 -15.120 532 HA ASP 68 HA ASP 68 13.927 -8.645 -14.784 533 HB2 ASP 68 HB2 ASP 68 13.275 -7.002 -16.524 534 HB3 ASP 68 HB3 ASP 68 13.353 -5.716 -15.315 535 H LYS 69 H LYS 69 12.446 -6.183 -12.668 536 HA LYS 69 HA LYS 69 14.605 -6.665 -10.688 537 HB2 LYS 69 HB2 LYS 69 13.702 -3.923 -11.558 538 HB3 LYS 69 HB3 LYS 69 14.761 -4.228 -10.196 539 HG2 LYS 69 HG2 LYS 69 15.430 -4.913 -13.073 540 HG3 LYS 69 HG3 LYS 69 15.939 -3.470 -12.228 541 HD2 LYS 69 HD2 LYS 69 17.194 -4.795 -10.577 542 HD3 LYS 69 HD3 LYS 69 16.702 -6.298 -11.336 543 HE2 LYS 69 HE2 LYS 69 18.292 -4.117 -12.759 544 HE3 LYS 69 HE3 LYS 69 19.018 -5.506 -11.941 545 HZ1 LYS 69 HZ1 LYS 69 17.178 -5.671 -14.280 546 HZ2 LYS 69 HZ2 LYS 69 18.794 -5.939 -14.286 547 HZ3 LYS 69 HZ3 LYS 69 17.808 -6.960 -13.478 548 H GLY 70 H GLY 70 11.783 -7.570 -10.853 549 HA2 GLY 70 HA2 GLY 70 10.886 -7.000 -8.208 550 HA3 GLY 70 HA3 GLY 70 10.023 -5.966 -9.339 551 H LEU 71 H LEU 71 8.286 -7.424 -8.281 552 HA LEU 71 HA LEU 71 7.644 -9.600 -10.239 553 HB2 LEU 71 HB2 LEU 71 7.154 -9.752 -7.246 554 HB3 LEU 71 HB3 LEU 71 6.631 -10.909 -8.453 555 HG LEU 71 HG LEU 71 9.427 -10.745 -8.864 556 HD11 LEU 71 HD11 LEU 71 8.785 -10.802 -5.883 557 HD12 LEU 71 HD12 LEU 71 10.380 -11.089 -6.615 558 HD13 LEU 71 HD13 LEU 71 9.604 -9.490 -6.749 559 HD21 LEU 71 HD21 LEU 71 9.516 -13.013 -8.040 560 HD22 LEU 71 HD22 LEU 71 7.924 -12.852 -7.290 561 HD23 LEU 71 HD23 LEU 71 8.051 -12.777 -9.022 562 H GLU 72 H GLU 72 5.504 -9.680 -10.775 563 HA GLU 72 HA GLU 72 3.641 -7.684 -9.546 564 HB2 GLU 72 HB2 GLU 72 3.380 -9.308 -12.102 565 HB3 GLU 72 HB3 GLU 72 1.987 -8.653 -11.272 566 HG2 GLU 72 HG2 GLU 72 2.816 -6.353 -11.520 567 HG3 GLU 72 HG3 GLU 72 4.193 -6.953 -12.440 568 H ILE 73 H ILE 73 2.211 -8.450 -8.126 569 HA ILE 73 HA ILE 73 1.868 -11.377 -7.817 570 HB ILE 73 HB ILE 73 1.700 -9.240 -5.688 571 HG12 ILE 73 HG12 ILE 73 3.578 -10.127 -4.480 572 HG13 ILE 73 HG13 ILE 73 3.952 -11.290 -5.681 573 HG21 ILE 73 HG21 ILE 73 1.612 -12.284 -5.471 574 HG22 ILE 73 HG22 ILE 73 1.588 -11.181 -4.082 575 HG23 ILE 73 HG23 ILE 73 0.251 -11.169 -5.217 576 HD11 ILE 73 HD11 ILE 73 4.045 -8.291 -6.197 577 HD12 ILE 73 HD12 ILE 73 5.414 -9.234 -5.572 578 HD13 ILE 73 HD13 ILE 73 4.763 -9.595 -7.176 579 H ILE 74 H ILE 74 -0.244 -11.974 -8.064 580 HA ILE 74 HA ILE 74 -2.442 -9.956 -7.995 581 HB ILE 74 HB ILE 74 -2.560 -12.824 -8.990 582 HG12 ILE 74 HG12 ILE 74 -2.959 -11.403 -11.268 583 HG13 ILE 74 HG13 ILE 74 -1.853 -10.297 -10.461 584 HG21 ILE 74 HG21 ILE 74 -4.505 -10.491 -9.301 585 HG22 ILE 74 HG22 ILE 74 -4.704 -12.108 -10.012 586 HG23 ILE 74 HG23 ILE 74 -4.735 -11.923 -8.269 587 HD11 ILE 74 HD11 ILE 74 -1.352 -13.272 -10.987 588 HD12 ILE 74 HD12 ILE 74 -0.768 -11.945 -11.998 589 HD13 ILE 74 HD13 ILE 74 -0.165 -12.125 -10.332 590 H VAL 75 H VAL 75 -4.130 -10.340 -6.503 591 HA VAL 75 HA VAL 75 -3.856 -12.601 -4.663 592 HB VAL 75 HB VAL 75 -4.743 -9.907 -3.614 593 HG11 VAL 75 HG11 VAL 75 -3.499 -12.325 -2.254 594 HG12 VAL 75 HG12 VAL 75 -4.116 -10.877 -1.437 595 HG13 VAL 75 HG13 VAL 75 -5.240 -11.954 -2.277 596 HG21 VAL 75 HG21 VAL 75 -1.871 -10.917 -3.577 597 HG22 VAL 75 HG22 VAL 75 -2.468 -9.434 -4.366 598 HG23 VAL 75 HG23 VAL 75 -2.503 -9.567 -2.607 599 H THR 76 H THR 76 -5.913 -13.520 -4.158 600 HA THR 76 HA THR 76 -8.286 -12.257 -5.412 601 HB THR 76 HB THR 76 -8.807 -14.044 -6.741 602 HG1 THR 76 HG1 THR 76 -8.105 -16.083 -6.648 603 HG21 THR 76 HG21 THR 76 -6.890 -14.650 -8.161 604 HG22 THR 76 HG22 THR 76 -6.709 -12.966 -7.653 605 HG23 THR 76 HG23 THR 76 -5.739 -14.249 -6.869 606 H LYS 77 H LYS 77 -10.356 -13.623 -4.705 607 HA LYS 77 HA LYS 77 -10.104 -14.697 -1.970 608 HB2 LYS 77 HB2 LYS 77 -11.504 -12.094 -2.634 609 HB3 LYS 77 HB3 LYS 77 -12.054 -13.113 -1.310 610 HG2 LYS 77 HG2 LYS 77 -10.537 -12.269 0.053 611 HG3 LYS 77 HG3 LYS 77 -9.276 -12.995 -0.879 612 HD2 LYS 77 HD2 LYS 77 -8.748 -10.683 -0.627 613 HD3 LYS 77 HD3 LYS 77 -9.126 -11.006 -2.328 614 HE2 LYS 77 HE2 LYS 77 -11.405 -10.040 -1.998 615 HE3 LYS 77 HE3 LYS 77 -11.096 -9.846 -0.268 616 HZ1 LYS 77 HZ1 LYS 77 -9.574 -8.415 -2.387 617 HZ2 LYS 77 HZ2 LYS 77 -10.819 -7.774 -1.522 618 HZ3 LYS 77 HZ3 LYS 77 -9.466 -8.179 -0.746 619 H ALA 78 H ALA 78 -11.931 -15.889 -1.324 620 HA ALA 78 HA ALA 78 -13.160 -17.355 -3.432 621 HB1 ALA 78 HB1 ALA 78 -12.655 -18.316 -1.203 622 HB2 ALA 78 HB2 ALA 78 -13.881 -17.254 -0.466 623 HB3 ALA 78 HB3 ALA 78 -14.366 -18.510 -1.615 624 H GLN 79 H GLN 79 -14.267 -14.484 -1.692 625 HA GLN 79 HA GLN 79 -17.008 -14.713 -2.012 626 HB2 GLN 79 HB2 GLN 79 -15.751 -13.026 -0.665 627 HB3 GLN 79 HB3 GLN 79 -15.402 -12.130 -2.140 628 HG2 GLN 79 HG2 GLN 79 -17.868 -11.822 -2.494 629 HG3 GLN 79 HG3 GLN 79 -18.176 -12.720 -1.005 630 HE21 GLN 79 HE22 GLN 79 -16.948 -9.690 -2.385 631 HE22 GLN 79 HE21 GLN 79 -16.961 -8.781 -0.883 632 H LEU 80 H LEU 80 -14.636 -14.045 -4.511 633 HA LEU 80 HA LEU 80 -16.123 -12.923 -6.579 634 HB2 LEU 80 HB2 LEU 80 -13.692 -13.418 -6.599 635 HB3 LEU 80 HB3 LEU 80 -14.045 -15.145 -6.657 636 HG LEU 80 HG LEU 80 -15.050 -14.887 -8.909 637 HD11 LEU 80 HD11 LEU 80 -14.754 -12.748 -10.149 638 HD12 LEU 80 HD12 LEU 80 -15.870 -12.556 -8.800 639 HD13 LEU 80 HD13 LEU 80 -14.193 -11.964 -8.658 640 HD21 LEU 80 HD21 LEU 80 -12.966 -14.427 -10.109 641 HD22 LEU 80 HD22 LEU 80 -12.272 -13.661 -8.658 642 HD23 LEU 80 HD23 LEU 80 -12.655 -15.397 -8.660 643 H SER 81 H SER 81 -16.371 -16.214 -5.276 644 HA SER 81 HA SER 81 -18.545 -16.826 -7.218 645 HB2 SER 81 HB2 SER 81 -16.504 -18.817 -6.179 646 HB3 SER 81 HB3 SER 81 -17.749 -19.080 -7.408 647 HG SER 81 HG SER 81 -15.662 -18.723 -8.332 648 H LYS 82 H LYS 82 -18.758 -15.619 -4.545 649 HA LYS 82 HA LYS 82 -19.611 -17.598 -2.639 650 HB2 LYS 82 HB2 LYS 82 -19.123 -15.227 -2.092 651 HB3 LYS 82 HB3 LYS 82 -20.552 -14.711 -2.998 652 HG2 LYS 82 HG2 LYS 82 -22.015 -15.915 -1.434 653 HG3 LYS 82 HG3 LYS 82 -20.606 -16.615 -0.611 654 HD2 LYS 82 HD2 LYS 82 -19.864 -14.347 0.058 655 HD3 LYS 82 HD3 LYS 82 -21.283 -13.636 -0.747 656 HE2 LYS 82 HE2 LYS 82 -22.788 -14.858 0.778 657 HE3 LYS 82 HE3 LYS 82 -21.410 -15.687 1.520 658 HZ1 LYS 82 HZ1 LYS 82 -21.903 -12.764 1.648 659 HZ2 LYS 82 HZ2 LYS 82 -22.088 -13.828 2.875 660 HZ3 LYS 82 HZ3 LYS 82 -20.587 -13.530 2.279 661 H ASP 83 H ASP 83 -21.344 -15.744 -5.181 662 HA ASP 83 HA ASP 83 -23.716 -17.498 -5.052 663 HB2 ASP 83 HB2 ASP 83 -24.089 -15.228 -5.828 664 HB3 ASP 83 HB3 ASP 83 -22.785 -15.358 -7.014 665 H LEU 84 H LEU 84 -23.698 -19.476 -6.007 666 HA LEU 84 HA LEU 84 -22.206 -20.039 -8.410 667 HB2 LEU 84 HB2 LEU 84 -20.391 -20.253 -6.716 668 HB3 LEU 84 HB3 LEU 84 -21.354 -21.429 -5.831 669 HG LEU 84 HG LEU 84 -21.236 -22.964 -7.823 670 HD11 LEU 84 HD11 LEU 84 -19.541 -22.468 -9.591 671 HD12 LEU 84 HD12 LEU 84 -20.898 -21.341 -9.650 672 HD13 LEU 84 HD13 LEU 84 -19.350 -20.826 -8.932 673 HD21 LEU 84 HD21 LEU 84 -18.550 -21.989 -6.765 674 HD22 LEU 84 HD22 LEU 84 -19.630 -23.161 -5.971 675 HD23 LEU 84 HD23 LEU 84 -18.870 -23.568 -7.511 676 H ASP 85 H ASP 85 -23.830 -21.459 -5.523 677 HA ASP 85 HA ASP 85 -24.571 -23.894 -6.600 678 HB2 ASP 85 HB2 ASP 85 -24.708 -23.319 -4.228 679 HB3 ASP 85 HB3 ASP 85 -26.020 -22.179 -4.550 680 H LYS 86 H LYS 86 -26.123 -20.785 -7.209 681 HA LYS 86 HA LYS 86 -28.662 -21.816 -8.084 682 HB2 LYS 86 HB2 LYS 86 -27.322 -19.177 -8.715 683 HB3 LYS 86 HB3 LYS 86 -28.993 -19.603 -9.081 684 HG2 LYS 86 HG2 LYS 86 -27.752 -19.346 -6.311 685 HG3 LYS 86 HG3 LYS 86 -28.914 -18.290 -7.104 686 HD2 LYS 86 HD2 LYS 86 -30.588 -20.152 -7.100 687 HD3 LYS 86 HD3 LYS 86 -29.446 -21.121 -6.134 688 HE2 LYS 86 HE2 LYS 86 -29.413 -19.368 -4.386 689 HE3 LYS 86 HE3 LYS 86 -30.505 -18.373 -5.362 690 HZ1 LYS 86 HZ1 LYS 86 -31.698 -19.583 -3.643 691 HZ2 LYS 86 HZ2 LYS 86 -32.200 -20.092 -5.112 692 HZ3 LYS 86 HZ3 LYS 86 -31.191 -21.024 -4.213 693 H LEU 87 H LEU 87 -25.539 -21.765 -9.712 694 HA LEU 87 HA LEU 87 -26.701 -21.785 -12.394 695 HB2 LEU 87 HB2 LEU 87 -23.886 -22.280 -11.316 696 HB3 LEU 87 HB3 LEU 87 -24.337 -22.442 -12.979 697 HG LEU 87 HG LEU 87 -23.303 -20.395 -12.903 698 HD11 LEU 87 HD11 LEU 87 -24.949 -18.737 -13.493 699 HD12 LEU 87 HD12 LEU 87 -25.497 -20.318 -14.084 700 HD13 LEU 87 HD13 LEU 87 -26.225 -19.612 -12.616 701 HD21 LEU 87 HD21 LEU 87 -23.681 -18.604 -11.306 702 HD22 LEU 87 HD22 LEU 87 -24.913 -19.564 -10.461 703 HD23 LEU 87 HD23 LEU 87 -23.210 -20.093 -10.481 704 H VAL 88 H VAL 88 -27.010 -23.572 -13.657 705 HA VAL 88 HA VAL 88 -26.387 -26.264 -12.644 706 HB VAL 88 HB VAL 88 -28.678 -27.044 -13.051 707 HG11 VAL 88 HG11 VAL 88 -29.772 -26.226 -11.085 708 HG12 VAL 88 HG12 VAL 88 -28.040 -26.368 -10.761 709 HG13 VAL 88 HG13 VAL 88 -28.766 -24.770 -11.048 710 HG21 VAL 88 HG21 VAL 88 -29.475 -24.141 -13.435 711 HG22 VAL 88 HG22 VAL 88 -29.422 -25.404 -14.690 712 HG23 VAL 88 HG23 VAL 88 -30.558 -25.549 -13.351 713 HA PRO 89 HA PRO 89 -25.400 -26.668 -16.883 714 HB2 PRO 89 HB2 PRO 89 -25.242 -29.352 -17.233 715 HB3 PRO 89 HB3 PRO 89 -24.295 -28.509 -15.974 716 HG2 PRO 89 HG2 PRO 89 -26.939 -29.966 -15.651 717 HG3 PRO 89 HG3 PRO 89 -25.439 -30.167 -14.688 718 HD2 PRO 89 HD2 PRO 89 -27.508 -28.531 -13.948 719 HD3 PRO 89 HD3 PRO 89 -25.820 -28.176 -13.506 720 H ARG 90 H ARG 90 -28.191 -26.098 -16.537 721 HA ARG 90 HA ARG 90 -29.488 -27.392 -18.881 722 HB2 ARG 90 HB2 ARG 90 -30.744 -26.989 -16.136 723 HB3 ARG 90 HB3 ARG 90 -31.600 -27.432 -17.614 724 HG2 ARG 90 HG2 ARG 90 -30.153 -29.493 -17.791 725 HG3 ARG 90 HG3 ARG 90 -29.449 -29.088 -16.204 726 HD2 ARG 90 HD2 ARG 90 -31.690 -29.174 -15.177 727 HD3 ARG 90 HD3 ARG 90 -32.388 -29.529 -16.776 728 HE ARG 90 HE ARG 90 -30.386 -31.456 -16.258 729 HH11 ARG 90 HH22 ARG 90 -33.592 -30.582 -14.975 730 HH12 ARG 90 HH21 ARG 90 -33.976 -32.188 -14.458 731 HH21 ARG 90 HH11 ARG 90 -30.893 -33.582 -15.558 732 HH22 ARG 90 HH12 ARG 90 -32.404 -33.923 -14.794 Start of MODEL 2 1 H1 MET 1 H1 MET 1 5.235 1.384 -3.102 2 H2 MET 1 H2 MET 1 6.726 0.685 -3.296 3 H3 MET 1 H3 MET 1 6.115 1.694 -4.438 4 HA MET 1 HA MET 1 5.959 -0.497 -5.242 5 HB2 MET 1 HB2 MET 1 4.869 -2.266 -4.208 6 HB3 MET 1 HB3 MET 1 5.862 -1.581 -2.943 7 HG2 MET 1 HG2 MET 1 3.817 -0.393 -2.058 8 HG3 MET 1 HG3 MET 1 2.849 -1.247 -3.251 9 HE1 MET 1 HE1 MET 1 3.826 -4.014 -3.473 10 HE2 MET 1 HE2 MET 1 3.136 -4.945 -2.132 11 HE3 MET 1 HE3 MET 1 2.128 -3.779 -3.028 12 H GLU 2 H GLU 2 3.794 -1.568 -6.114 13 HA GLU 2 HA GLU 2 2.210 0.771 -7.075 14 HB2 GLU 2 HB2 GLU 2 4.005 -1.288 -8.281 15 HB3 GLU 2 HB3 GLU 2 2.543 -1.028 -9.172 16 HG2 GLU 2 HG2 GLU 2 4.306 0.394 -10.019 17 HG3 GLU 2 HG3 GLU 2 2.975 1.349 -9.379 18 H ILE 3 H ILE 3 0.553 0.240 -5.499 19 HA ILE 3 HA ILE 3 -0.822 -2.317 -5.442 20 HB ILE 3 HB ILE 3 -1.618 0.432 -4.459 21 HG12 ILE 3 HG12 ILE 3 0.411 -0.477 -3.326 22 HG13 ILE 3 HG13 ILE 3 -0.979 -0.251 -2.297 23 HG21 ILE 3 HG21 ILE 3 -2.950 -2.264 -3.935 24 HG22 ILE 3 HG22 ILE 3 -3.220 -0.804 -2.956 25 HG23 ILE 3 HG23 ILE 3 -3.668 -0.804 -4.654 26 HD11 ILE 3 HD11 ILE 3 -1.404 -2.662 -2.202 27 HD12 ILE 3 HD12 ILE 3 -0.040 -2.949 -3.317 28 HD13 ILE 3 HD13 ILE 3 0.237 -2.263 -1.698 29 H GLU 4 H GLU 4 -2.861 -2.826 -6.478 30 HA GLU 4 HA GLU 4 -4.174 -0.791 -8.160 31 HB2 GLU 4 HB2 GLU 4 -2.421 -1.948 -9.539 32 HB3 GLU 4 HB3 GLU 4 -3.223 -3.463 -9.254 33 HG2 GLU 4 HG2 GLU 4 -5.209 -2.655 -10.372 34 HG3 GLU 4 HG3 GLU 4 -4.542 -1.032 -10.548 35 H ARG 5 H ARG 5 -6.153 -0.880 -7.087 36 HA ARG 5 HA ARG 5 -7.362 -3.435 -6.289 37 HB2 ARG 5 HB2 ARG 5 -7.743 -0.770 -5.540 38 HB3 ARG 5 HB3 ARG 5 -9.177 -1.106 -6.495 39 HG2 ARG 5 HG2 ARG 5 -8.152 -2.854 -4.209 40 HG3 ARG 5 HG3 ARG 5 -9.267 -1.528 -3.977 41 HD2 ARG 5 HD2 ARG 5 -9.900 -3.854 -5.833 42 HD3 ARG 5 HD3 ARG 5 -10.307 -3.829 -4.117 43 HE ARG 5 HE ARG 5 -11.383 -2.068 -6.263 44 HH11 ARG 5 HH21 ARG 5 -11.878 -3.384 -2.916 45 HH12 ARG 5 HH22 ARG 5 -13.188 -2.277 -2.635 46 HH21 ARG 5 HH11 ARG 5 -13.088 -0.723 -5.791 47 HH22 ARG 5 HH12 ARG 5 -13.797 -0.706 -4.177 48 H ILE 6 H ILE 6 -8.240 -4.823 -7.890 49 HA ILE 6 HA ILE 6 -8.643 -3.831 -10.586 50 HB ILE 6 HB ILE 6 -9.254 -6.537 -9.364 51 HG12 ILE 6 HG12 ILE 6 -6.933 -6.122 -8.914 52 HG13 ILE 6 HG13 ILE 6 -7.084 -7.239 -10.224 53 HG21 ILE 6 HG21 ILE 6 -8.998 -7.425 -11.615 54 HG22 ILE 6 HG22 ILE 6 -10.346 -6.286 -11.497 55 HG23 ILE 6 HG23 ILE 6 -8.825 -5.771 -12.261 56 HD11 ILE 6 HD11 ILE 6 -6.567 -5.403 -11.849 57 HD12 ILE 6 HD12 ILE 6 -6.446 -4.296 -10.459 58 HD13 ILE 6 HD13 ILE 6 -5.282 -5.594 -10.641 59 H ASN 7 H ASN 7 -10.612 -5.322 -8.018 60 HA ASN 7 HA ASN 7 -12.949 -3.753 -8.512 61 HB2 ASN 7 HB2 ASN 7 -14.475 -5.432 -9.310 62 HB3 ASN 7 HB3 ASN 7 -13.158 -5.323 -10.442 63 HD21 ASN 7 HD22 ASN 7 -14.311 -7.511 -11.004 64 HD22 ASN 7 HD21 ASN 7 -13.637 -8.920 -10.224 65 H GLU 8 H GLU 8 -14.854 -5.068 -7.180 66 HA GLU 8 HA GLU 8 -14.204 -4.996 -4.498 67 HB2 GLU 8 HB2 GLU 8 -16.435 -4.829 -5.556 68 HB3 GLU 8 HB3 GLU 8 -16.416 -6.574 -5.881 69 HG2 GLU 8 HG2 GLU 8 -16.601 -7.114 -3.572 70 HG3 GLU 8 HG3 GLU 8 -16.122 -5.486 -3.080 71 H HIS 9 H HIS 9 -13.323 -7.556 -6.568 72 HA HIS 9 HA HIS 9 -13.297 -9.620 -4.401 73 HB2 HIS 9 HB2 HIS 9 -13.588 -9.883 -7.421 74 HB3 HIS 9 HB3 HIS 9 -13.556 -11.190 -6.270 75 HD1 HIS 9 HD1 HIS 9 -16.073 -9.485 -8.177 76 HD2 HIS 9 HD2 HIS 9 -15.613 -10.298 -4.070 77 HE1 HIS 9 HE1 HIS 9 -18.370 -9.202 -7.101 78 H THR 10 H THR 10 -11.427 -8.122 -6.965 79 HA THR 10 HA THR 10 -9.046 -9.755 -6.205 80 HB THR 10 HB THR 10 -9.930 -8.654 -8.898 81 HG1 THR 10 HG1 THR 10 -10.512 -10.753 -9.328 82 HG21 THR 10 HG21 THR 10 -7.434 -8.820 -8.717 83 HG22 THR 10 HG22 THR 10 -7.603 -10.523 -8.303 84 HG23 THR 10 HG23 THR 10 -8.125 -9.925 -9.905 85 H VAL 11 H VAL 11 -7.110 -8.750 -5.958 86 HA VAL 11 HA VAL 11 -6.839 -5.941 -6.793 87 HB VAL 11 HB VAL 11 -5.704 -5.210 -4.855 88 HG11 VAL 11 HG11 VAL 11 -8.246 -5.166 -4.882 89 HG12 VAL 11 HG12 VAL 11 -8.231 -6.570 -3.806 90 HG13 VAL 11 HG13 VAL 11 -7.502 -5.046 -3.277 91 HG21 VAL 11 HG21 VAL 11 -6.175 -7.928 -3.574 92 HG22 VAL 11 HG22 VAL 11 -4.597 -7.244 -4.058 93 HG23 VAL 11 HG23 VAL 11 -5.524 -6.490 -2.758 94 H LYS 12 H LYS 12 -4.579 -5.493 -7.396 95 HA LYS 12 HA LYS 12 -2.790 -7.804 -7.205 96 HB2 LYS 12 HB2 LYS 12 -2.280 -8.052 -9.354 97 HB3 LYS 12 HB3 LYS 12 -3.958 -7.620 -9.584 98 HG2 LYS 12 HG2 LYS 12 -3.227 -5.347 -10.187 99 HG3 LYS 12 HG3 LYS 12 -1.540 -5.817 -9.953 100 HD2 LYS 12 HD2 LYS 12 -1.759 -7.575 -11.670 101 HD3 LYS 12 HD3 LYS 12 -3.453 -7.098 -11.973 102 HE2 LYS 12 HE2 LYS 12 -2.799 -4.946 -12.779 103 HE3 LYS 12 HE3 LYS 12 -1.205 -5.109 -12.020 104 HZ1 LYS 12 HZ1 LYS 12 -1.176 -5.372 -14.466 105 HZ2 LYS 12 HZ2 LYS 12 -0.516 -6.633 -13.664 106 HZ3 LYS 12 HZ3 LYS 12 -2.033 -6.762 -14.337 107 H PHE 13 H PHE 13 -0.498 -7.060 -7.638 108 HA PHE 13 HA PHE 13 -0.122 -4.207 -7.594 109 HB2 PHE 13 HB2 PHE 13 1.228 -4.124 -5.518 110 HB3 PHE 13 HB3 PHE 13 -0.456 -4.490 -5.201 111 HD1 PHE 13 HD2 PHE 13 -1.200 -6.773 -4.606 112 HD2 PHE 13 HD1 PHE 13 2.976 -5.737 -4.944 113 HE1 PHE 13 HE2 PHE 13 -0.594 -8.764 -3.259 114 HE2 PHE 13 HE1 PHE 13 3.567 -7.681 -3.541 115 HZ PHE 13 HZ PHE 13 1.779 -9.156 -2.627 116 H TYR 14 H TYR 14 2.213 -3.698 -7.741 117 HA TYR 14 HA TYR 14 3.896 -5.987 -8.618 118 HB2 TYR 14 HB2 TYR 14 3.374 -4.693 -10.559 119 HB3 TYR 14 HB3 TYR 14 3.599 -3.181 -9.720 120 HD1 TYR 14 HD1 TYR 14 5.382 -6.287 -10.751 121 HD2 TYR 14 HD2 TYR 14 5.712 -2.164 -9.600 122 HE1 TYR 14 HE1 TYR 14 7.782 -6.400 -11.235 123 HE2 TYR 14 HE2 TYR 14 8.179 -2.233 -10.083 124 HH TYR 14 HH TYR 14 9.966 -3.530 -10.864 125 H MET 15 H MET 15 5.864 -6.070 -7.689 126 HA MET 15 HA MET 15 6.532 -4.121 -5.519 127 HB2 MET 15 HB2 MET 15 5.420 -6.322 -4.755 128 HB3 MET 15 HB3 MET 15 6.841 -7.134 -5.398 129 HG2 MET 15 HG2 MET 15 7.290 -6.818 -3.162 130 HG3 MET 15 HG3 MET 15 8.185 -5.517 -3.942 131 HE1 MET 15 HE1 MET 15 6.067 -4.965 -0.264 132 HE2 MET 15 HE2 MET 15 6.521 -6.492 -1.046 133 HE3 MET 15 HE3 MET 15 7.764 -5.255 -0.766 134 H SER 16 H SER 16 8.477 -3.241 -6.208 135 HA SER 16 HA SER 16 10.243 -4.706 -8.026 136 HB2 SER 16 HB2 SER 16 10.890 -2.240 -6.403 137 HB3 SER 16 HB3 SER 16 11.660 -2.782 -7.902 138 HG SER 16 HG SER 16 10.154 -1.040 -8.223 139 H TYR 17 H TYR 17 12.376 -5.455 -7.397 140 HA TYR 17 HA TYR 17 12.645 -6.799 -4.960 141 HB2 TYR 17 HB2 TYR 17 14.849 -5.588 -6.661 142 HB3 TYR 17 HB3 TYR 17 15.081 -6.804 -5.405 143 HD1 TYR 17 HD1 TYR 17 12.470 -8.473 -6.190 144 HD2 TYR 17 HD2 TYR 17 15.837 -6.897 -8.406 145 HE1 TYR 17 HE1 TYR 17 12.284 -10.314 -7.783 146 HE2 TYR 17 HE2 TYR 17 15.619 -8.718 -10.036 147 HH TYR 17 HH TYR 17 14.466 -10.708 -10.623 148 H GLY 18 H GLY 18 13.737 -3.405 -5.634 149 HA2 GLY 18 HA2 GLY 18 14.806 -3.247 -2.971 150 HA3 GLY 18 HA3 GLY 18 14.673 -1.950 -4.076 151 H ASP 19 H ASP 19 11.510 -2.971 -4.032 152 HA ASP 19 HA ASP 19 10.625 -1.307 -1.773 153 HB2 ASP 19 HB2 ASP 19 9.277 -2.989 -3.874 154 HB3 ASP 19 HB3 ASP 19 8.500 -2.920 -2.319 155 H ILE 20 H ILE 20 11.357 -4.705 -2.466 156 HA ILE 20 HA ILE 20 10.354 -5.721 0.069 157 HB ILE 20 HB ILE 20 12.063 -6.921 -2.164 158 HG12 ILE 20 HG12 ILE 20 9.192 -7.578 -1.434 159 HG13 ILE 20 HG13 ILE 20 9.595 -6.267 -2.525 160 HG21 ILE 20 HG21 ILE 20 10.792 -8.455 0.102 161 HG22 ILE 20 HG22 ILE 20 11.790 -9.081 -1.222 162 HG23 ILE 20 HG23 ILE 20 12.532 -8.052 0.005 163 HD11 ILE 20 HD11 ILE 20 10.278 -9.176 -3.024 164 HD12 ILE 20 HD12 ILE 20 9.009 -8.209 -3.811 165 HD13 ILE 20 HD13 ILE 20 10.706 -7.796 -4.076 166 H GLU 21 H GLU 21 13.587 -4.786 -1.283 167 HA GLU 21 HA GLU 21 15.087 -5.295 1.065 168 HB2 GLU 21 HB2 GLU 21 15.511 -2.980 -0.889 169 HB3 GLU 21 HB3 GLU 21 16.679 -3.631 0.243 170 HG2 GLU 21 HG2 GLU 21 16.575 -5.815 -1.041 171 HG3 GLU 21 HG3 GLU 21 15.646 -5.016 -2.251 172 H ASP 22 H ASP 22 13.132 -2.418 0.175 173 HA ASP 22 HA ASP 22 14.030 -0.662 2.197 174 HB2 ASP 22 HB2 ASP 22 12.609 -0.023 0.263 175 HB3 ASP 22 HB3 ASP 22 11.259 -0.887 0.967 176 H ARG 23 H ARG 23 11.398 -2.978 2.122 177 HA ARG 23 HA ARG 23 10.528 -2.566 4.871 178 HB2 ARG 23 HB2 ARG 23 9.954 -4.700 2.775 179 HB3 ARG 23 HB3 ARG 23 9.173 -4.651 4.372 180 HG2 ARG 23 HG2 ARG 23 8.052 -2.629 3.936 181 HG3 ARG 23 HG3 ARG 23 9.085 -2.239 2.559 182 HD2 ARG 23 HD2 ARG 23 8.119 -4.088 1.249 183 HD3 ARG 23 HD3 ARG 23 7.114 -4.548 2.617 184 HE ARG 23 HE ARG 23 5.673 -2.813 2.185 185 HH11 ARG 23 HH11 ARG 23 8.650 -2.193 0.304 186 HH12 ARG 23 HH12 ARG 23 7.932 -0.921 -0.637 187 HH21 ARG 23 HH21 ARG 23 4.838 -0.951 1.103 188 HH22 ARG 23 HH22 ARG 23 5.841 -0.057 0.024 189 H GLY 24 H GLY 24 13.346 -3.912 3.674 190 HA2 GLY 24 HA2 GLY 24 15.041 -4.926 4.790 191 HA3 GLY 24 HA3 GLY 24 14.015 -5.034 6.224 192 H PHE 25 H PHE 25 12.581 -6.372 3.408 193 HA PHE 25 HA PHE 25 13.145 -9.179 4.230 194 HB2 PHE 25 HB2 PHE 25 11.252 -7.961 2.189 195 HB3 PHE 25 HB3 PHE 25 11.467 -9.698 2.435 196 HD1 PHE 25 HD2 PHE 25 10.367 -6.548 4.048 197 HD2 PHE 25 HD1 PHE 25 10.180 -10.855 4.179 198 HE1 PHE 25 HE2 PHE 25 8.816 -6.416 5.968 199 HE2 PHE 25 HE1 PHE 25 8.673 -10.719 6.101 200 HZ PHE 25 HZ PHE 25 7.976 -8.503 7.029 201 H ASP 26 H ASP 26 13.311 -10.463 1.805 202 HA ASP 26 HA ASP 26 15.298 -9.056 0.116 203 HB2 ASP 26 HB2 ASP 26 16.341 -10.773 1.927 204 HB3 ASP 26 HB3 ASP 26 15.728 -11.946 0.798 205 H ARG 27 H ARG 27 15.130 -9.823 -2.087 206 HA ARG 27 HA ARG 27 12.579 -10.842 -2.819 207 HB2 ARG 27 HB2 ARG 27 13.421 -10.933 -5.071 208 HB3 ARG 27 HB3 ARG 27 14.052 -9.479 -4.296 209 HG2 ARG 27 HG2 ARG 27 16.234 -10.729 -3.898 210 HG3 ARG 27 HG3 ARG 27 15.565 -12.073 -4.845 211 HD2 ARG 27 HD2 ARG 27 15.285 -10.521 -6.779 212 HD3 ARG 27 HD3 ARG 27 16.028 -9.233 -5.828 213 HE ARG 27 HE ARG 27 18.110 -10.331 -5.864 214 HH11 ARG 27 HH11 ARG 27 15.735 -12.017 -7.924 215 HH12 ARG 27 HH12 ARG 27 16.927 -12.923 -8.780 216 HH21 ARG 27 HH21 ARG 27 19.683 -11.532 -7.020 217 HH22 ARG 27 HH22 ARG 27 19.216 -12.632 -8.264 218 H GLU 28 H GLU 28 15.626 -12.575 -2.093 219 HA GLU 28 HA GLU 28 14.515 -15.135 -3.006 220 HB2 GLU 28 HB2 GLU 28 16.968 -14.451 -1.369 221 HB3 GLU 28 HB3 GLU 28 16.510 -16.077 -1.829 222 HG2 GLU 28 HG2 GLU 28 16.541 -15.368 -4.241 223 HG3 GLU 28 HG3 GLU 28 17.198 -13.812 -3.728 224 H GLU 29 H GLU 29 15.019 -13.430 0.112 225 HA GLU 29 HA GLU 29 14.312 -15.590 1.765 226 HB2 GLU 29 HB2 GLU 29 14.177 -12.575 2.145 227 HB3 GLU 29 HB3 GLU 29 13.874 -13.624 3.469 228 HG2 GLU 29 HG2 GLU 29 16.462 -13.930 1.928 229 HG3 GLU 29 HG3 GLU 29 16.215 -12.688 3.133 230 H ILE 30 H ILE 30 12.307 -13.122 0.326 231 HA ILE 30 HA ILE 30 9.792 -13.769 1.473 232 HB ILE 30 HB ILE 30 10.481 -12.902 -1.345 233 HG12 ILE 30 HG12 ILE 30 10.920 -11.394 0.781 234 HG13 ILE 30 HG13 ILE 30 10.304 -10.782 -0.734 235 HG21 ILE 30 HG21 ILE 30 7.715 -13.075 -0.094 236 HG22 ILE 30 HG22 ILE 30 8.105 -12.142 -1.563 237 HG23 ILE 30 HG23 ILE 30 8.300 -13.894 -1.556 238 HD11 ILE 30 HD11 ILE 30 9.196 -9.816 1.314 239 HD12 ILE 30 HD12 ILE 30 8.046 -10.573 0.223 240 HD13 ILE 30 HD13 ILE 30 8.565 -11.430 1.697 241 H TRP 31 H TRP 31 11.470 -15.365 -1.327 242 HA TRP 31 HA TRP 31 9.286 -17.204 -1.785 243 HB2 TRP 31 HB2 TRP 31 12.182 -17.405 -2.616 244 HB3 TRP 31 HB3 TRP 31 10.900 -18.451 -3.170 245 HD1 TRP 31 HD1 TRP 31 12.837 -15.876 -4.505 246 HE1 TRP 31 HE1 TRP 31 11.705 -14.579 -6.388 247 HE3 TRP 31 HE3 TRP 31 7.991 -17.305 -3.652 248 HZ2 TRP 31 HZ2 TRP 31 9.022 -14.223 -7.426 249 HZ3 TRP 31 HZ3 TRP 31 6.178 -16.496 -5.109 250 HH2 TRP 31 HH2 TRP 31 6.653 -14.972 -7.018 251 H TYR 32 H TYR 32 11.900 -17.195 0.531 252 HA TYR 32 HA TYR 32 11.728 -20.149 0.838 253 HB2 TYR 32 HB2 TYR 32 14.046 -18.242 1.252 254 HB3 TYR 32 HB3 TYR 32 14.124 -19.981 1.435 255 HD1 TYR 32 HD1 TYR 32 12.750 -21.135 -0.840 256 HD2 TYR 32 HD2 TYR 32 15.338 -17.689 -0.637 257 HE1 TYR 32 HE1 TYR 32 13.272 -21.384 -3.230 258 HE2 TYR 32 HE2 TYR 32 15.805 -17.879 -3.040 259 HH TYR 32 HH TYR 32 15.447 -19.127 -5.011 260 H ASN 33 H ASN 33 10.619 -17.551 2.568 261 HA ASN 33 HA ASN 33 10.814 -19.027 5.155 262 HB2 ASN 33 HB2 ASN 33 11.105 -16.052 4.576 263 HB3 ASN 33 HB3 ASN 33 10.904 -16.732 6.170 264 HD21 ASN 33 HD22 ASN 33 12.997 -16.279 3.475 265 HD22 ASN 33 HD21 ASN 33 14.526 -16.631 4.278 266 H ARG 34 H ARG 34 8.670 -19.878 4.587 267 HA ARG 34 HA ARG 34 6.678 -18.615 3.241 268 HB2 ARG 34 HB2 ARG 34 6.634 -20.959 3.769 269 HB3 ARG 34 HB3 ARG 34 6.408 -20.627 5.498 270 HG2 ARG 34 HG2 ARG 34 4.188 -19.763 5.137 271 HG3 ARG 34 HG3 ARG 34 4.404 -19.742 3.381 272 HD2 ARG 34 HD2 ARG 34 4.564 -22.203 3.355 273 HD3 ARG 34 HD3 ARG 34 4.421 -22.238 5.127 274 HE ARG 34 HE ARG 34 2.198 -20.829 4.051 275 HH11 ARG 34 HH11 ARG 34 3.442 -24.158 4.168 276 HH12 ARG 34 HH12 ARG 34 1.883 -24.896 4.065 277 HH21 ARG 34 HH21 ARG 34 0.121 -21.811 3.911 278 HH22 ARG 34 HH22 ARG 34 -0.040 -23.531 3.902 279 H GLU 35 H GLU 35 7.203 -18.207 6.779 280 HA GLU 35 HA GLU 35 4.676 -16.790 7.024 281 HB2 GLU 35 HB2 GLU 35 5.308 -16.404 9.331 282 HB3 GLU 35 HB3 GLU 35 5.471 -18.105 8.922 283 HG2 GLU 35 HG2 GLU 35 7.838 -16.182 9.045 284 HG3 GLU 35 HG3 GLU 35 7.249 -17.085 10.423 285 H ARG 36 H ARG 36 8.025 -15.933 6.341 286 HA ARG 36 HA ARG 36 7.572 -13.068 6.819 287 HB2 ARG 36 HB2 ARG 36 9.907 -14.564 5.606 288 HB3 ARG 36 HB3 ARG 36 9.821 -12.850 5.870 289 HG2 ARG 36 HG2 ARG 36 10.047 -15.050 7.928 290 HG3 ARG 36 HG3 ARG 36 11.059 -13.627 7.685 291 HD2 ARG 36 HD2 ARG 36 9.203 -12.162 8.501 292 HD3 ARG 36 HD3 ARG 36 8.227 -13.617 8.813 293 HE ARG 36 HE ARG 36 10.796 -13.729 10.114 294 HH11 ARG 36 HH11 ARG 36 7.480 -12.366 10.443 295 HH12 ARG 36 HH12 ARG 36 7.589 -12.267 12.167 296 HH21 ARG 36 HH21 ARG 36 10.881 -13.574 12.404 297 HH22 ARG 36 HH22 ARG 36 9.547 -12.943 13.297 298 H SER 37 H SER 37 7.158 -15.426 4.221 299 HA SER 37 HA SER 37 6.980 -13.463 2.132 300 HB2 SER 37 HB2 SER 37 5.062 -15.754 2.073 301 HB3 SER 37 HB3 SER 37 6.077 -15.107 0.797 302 HG SER 37 HG SER 37 7.761 -16.277 1.518 303 H GLU 38 H GLU 38 4.569 -14.925 4.396 304 HA GLU 38 HA GLU 38 2.290 -13.806 3.465 305 HB2 GLU 38 HB2 GLU 38 2.895 -15.519 5.411 306 HB3 GLU 38 HB3 GLU 38 2.666 -14.094 6.436 307 HG2 GLU 38 HG2 GLU 38 0.438 -13.761 5.365 308 HG3 GLU 38 HG3 GLU 38 0.674 -15.222 4.422 309 H GLU 39 H GLU 39 4.625 -12.125 5.580 310 HA GLU 39 HA GLU 39 3.054 -10.023 6.480 311 HB2 GLU 39 HB2 GLU 39 5.894 -9.536 5.612 312 HB3 GLU 39 HB3 GLU 39 5.094 -9.003 7.076 313 HG2 GLU 39 HG2 GLU 39 6.062 -11.811 6.528 314 HG3 GLU 39 HG3 GLU 39 6.926 -10.594 7.368 315 H LEU 40 H LEU 40 4.637 -10.474 3.375 316 HA LEU 40 HA LEU 40 4.364 -7.836 2.298 317 HB2 LEU 40 HB2 LEU 40 5.846 -9.492 1.368 318 HB3 LEU 40 HB3 LEU 40 4.516 -10.570 1.038 319 HG LEU 40 HG LEU 40 5.755 -8.939 -0.764 320 HD11 LEU 40 HD11 LEU 40 4.581 -10.979 -1.250 321 HD12 LEU 40 HD12 LEU 40 3.015 -10.189 -0.988 322 HD13 LEU 40 HD13 LEU 40 4.082 -9.692 -2.338 323 HD21 LEU 40 HD21 LEU 40 3.021 -7.694 -0.602 324 HD22 LEU 40 HD22 LEU 40 4.435 -6.927 0.169 325 HD23 LEU 40 HD23 LEU 40 4.414 -7.227 -1.571 326 H PHE 41 H PHE 41 2.335 -10.745 2.090 327 HA PHE 41 HA PHE 41 0.285 -9.573 0.505 328 HB2 PHE 41 HB2 PHE 41 0.140 -12.039 2.269 329 HB3 PHE 41 HB3 PHE 41 -0.941 -11.632 0.949 330 HD1 PHE 41 HD2 PHE 41 2.537 -12.528 1.815 331 HD2 PHE 41 HD1 PHE 41 -0.270 -12.039 -1.401 332 HE1 PHE 41 HE2 PHE 41 4.171 -13.552 0.252 333 HE2 PHE 41 HE1 PHE 41 1.358 -13.095 -2.962 334 HZ PHE 41 HZ PHE 41 3.565 -13.863 -2.145 335 H TRP 42 H TRP 42 0.776 -9.919 4.025 336 HA TRP 42 HA TRP 42 -1.768 -8.836 4.779 337 HB2 TRP 42 HB2 TRP 42 0.917 -9.087 6.142 338 HB3 TRP 42 HB3 TRP 42 -0.375 -8.178 6.894 339 HD1 TRP 42 HD1 TRP 42 0.886 -11.617 6.630 340 HE1 TRP 42 HE1 TRP 42 -0.769 -13.337 7.519 341 HE3 TRP 42 HE3 TRP 42 -3.252 -8.616 6.921 342 HZ2 TRP 42 HZ2 TRP 42 -3.601 -13.421 8.209 343 HZ3 TRP 42 HZ3 TRP 42 -5.430 -9.554 7.647 344 HH2 TRP 42 HH2 TRP 42 -5.622 -11.952 8.277 345 H GLU 43 H GLU 43 1.406 -7.141 4.050 346 HA GLU 43 HA GLU 43 0.488 -4.628 4.925 347 HB2 GLU 43 HB2 GLU 43 2.878 -5.429 4.484 348 HB3 GLU 43 HB3 GLU 43 2.535 -5.298 2.757 349 HG2 GLU 43 HG2 GLU 43 3.691 -3.361 3.333 350 HG3 GLU 43 HG3 GLU 43 2.024 -2.827 3.154 351 H VAL 44 H VAL 44 0.392 -6.178 1.638 352 HA VAL 44 HA VAL 44 -0.695 -3.889 0.365 353 HB VAL 44 HB VAL 44 -1.284 -5.494 -1.394 354 HG11 VAL 44 HG11 VAL 44 1.029 -5.897 -2.003 355 HG12 VAL 44 HG12 VAL 44 0.990 -4.393 -1.064 356 HG13 VAL 44 HG13 VAL 44 1.541 -5.905 -0.308 357 HG21 VAL 44 HG21 VAL 44 -1.774 -7.577 -0.383 358 HG22 VAL 44 HG22 VAL 44 -0.218 -7.804 -1.190 359 HG23 VAL 44 HG23 VAL 44 -0.238 -7.527 0.521 360 H MET 45 H MET 45 -2.271 -6.816 1.739 361 HA MET 45 HA MET 45 -4.887 -6.095 1.072 362 HB2 MET 45 HB2 MET 45 -4.175 -8.318 1.836 363 HB3 MET 45 HB3 MET 45 -3.809 -7.655 3.438 364 HG2 MET 45 HG2 MET 45 -5.992 -8.794 3.386 365 HG3 MET 45 HG3 MET 45 -6.054 -7.081 3.803 366 HE1 MET 45 HE1 MET 45 -6.692 -9.751 0.947 367 HE2 MET 45 HE2 MET 45 -7.442 -8.758 -0.324 368 HE3 MET 45 HE3 MET 45 -5.729 -8.540 0.071 369 H ASP 46 H ASP 46 -2.808 -5.140 3.862 370 HA ASP 46 HA ASP 46 -4.783 -3.653 5.259 371 HB2 ASP 46 HB2 ASP 46 -2.634 -4.300 6.243 372 HB3 ASP 46 HB3 ASP 46 -1.765 -3.260 5.146 373 H GLU 47 H GLU 47 -2.594 -2.751 2.577 374 HA GLU 47 HA GLU 47 -3.144 0.006 2.524 375 HB2 GLU 47 HB2 GLU 47 -1.768 -2.048 0.898 376 HB3 GLU 47 HB3 GLU 47 -2.524 -0.840 -0.094 377 HG2 GLU 47 HG2 GLU 47 -0.567 -0.325 2.175 378 HG3 GLU 47 HG3 GLU 47 -0.162 -0.381 0.472 379 H VAL 48 H VAL 48 -5.232 -2.603 1.692 380 HA VAL 48 HA VAL 48 -7.023 -0.731 0.174 381 HB VAL 48 HB VAL 48 -7.829 -2.653 -1.097 382 HG11 VAL 48 HG11 VAL 48 -5.943 -1.277 -1.966 383 HG12 VAL 48 HG12 VAL 48 -4.796 -2.437 -1.251 384 HG13 VAL 48 HG13 VAL 48 -5.895 -2.957 -2.550 385 HG21 VAL 48 HG21 VAL 48 -6.771 -4.830 -1.055 386 HG22 VAL 48 HG22 VAL 48 -5.547 -4.267 0.083 387 HG23 VAL 48 HG23 VAL 48 -7.218 -4.445 0.615 388 H HIS 49 H HIS 49 -6.675 -2.475 3.021 389 HA HIS 49 HA HIS 49 -9.141 -3.546 3.498 390 HB2 HIS 49 HB2 HIS 49 -6.801 -3.029 4.977 391 HB3 HIS 49 HB3 HIS 49 -8.090 -2.316 5.910 392 HD1 HIS 49 HD1 HIS 49 -8.904 -4.135 7.645 393 HD2 HIS 49 HD2 HIS 49 -7.793 -5.622 3.871 394 HE1 HIS 49 HE1 HIS 49 -9.273 -6.657 7.735 395 H GLU 50 H GLU 50 -8.651 -0.075 3.250 396 HA GLU 50 HA GLU 50 -10.888 0.585 4.906 397 HB2 GLU 50 HB2 GLU 50 -9.603 2.083 2.590 398 HB3 GLU 50 HB3 GLU 50 -10.871 2.761 3.612 399 HG2 GLU 50 HG2 GLU 50 -8.122 1.838 4.567 400 HG3 GLU 50 HG3 GLU 50 -8.662 3.490 4.327 401 H GLU 51 H GLU 51 -10.785 -0.865 1.733 402 HA GLU 51 HA GLU 51 -13.767 -0.782 1.769 403 HB2 GLU 51 HB2 GLU 51 -11.816 -1.046 -0.541 404 HB3 GLU 51 HB3 GLU 51 -13.471 -1.664 -0.609 405 HG2 GLU 51 HG2 GLU 51 -14.298 0.594 0.097 406 HG3 GLU 51 HG3 GLU 51 -12.660 1.205 -0.017 407 H GLU 52 H GLU 52 -10.791 -2.826 1.490 408 HA GLU 52 HA GLU 52 -12.300 -5.204 1.120 409 HB2 GLU 52 HB2 GLU 52 -9.453 -4.919 2.060 410 HB3 GLU 52 HB3 GLU 52 -10.229 -6.419 1.617 411 HG2 GLU 52 HG2 GLU 52 -9.683 -4.021 -0.176 412 HG3 GLU 52 HG3 GLU 52 -8.951 -5.621 -0.234 413 H GLU 53 H GLU 53 -11.911 -3.368 4.106 414 HA GLU 53 HA GLU 53 -12.286 -5.509 5.918 415 HB2 GLU 53 HB2 GLU 53 -13.233 -3.918 7.432 416 HB3 GLU 53 HB3 GLU 53 -11.838 -3.204 6.651 417 HG2 GLU 53 HG2 GLU 53 -13.387 -1.920 5.130 418 HG3 GLU 53 HG3 GLU 53 -14.763 -2.665 5.933 419 H PHE 54 H PHE 54 -14.508 -4.151 3.518 420 HA PHE 54 HA PHE 54 -16.889 -5.320 4.742 421 HB2 PHE 54 HB2 PHE 54 -16.522 -4.308 1.903 422 HB3 PHE 54 HB3 PHE 54 -18.038 -4.519 2.763 423 HD1 PHE 54 HD1 PHE 54 -17.751 -3.174 5.316 424 HD2 PHE 54 HD2 PHE 54 -16.201 -2.052 1.453 425 HE1 PHE 54 HE1 PHE 54 -17.678 -0.802 6.033 426 HE2 PHE 54 HE2 PHE 54 -16.139 0.331 2.173 427 HZ PHE 54 HZ PHE 54 -16.869 0.954 4.469 428 H ALA 55 H ALA 55 -14.268 -6.706 3.146 429 HA ALA 55 HA ALA 55 -15.838 -8.956 2.022 430 HB1 ALA 55 HB1 ALA 55 -13.833 -7.277 0.457 431 HB2 ALA 55 HB2 ALA 55 -14.711 -8.722 -0.125 432 HB3 ALA 55 HB3 ALA 55 -15.600 -7.235 0.255 433 H VAL 56 H VAL 56 -14.255 -8.847 4.394 434 HA VAL 56 HA VAL 56 -12.215 -10.879 3.684 435 HB VAL 56 HB VAL 56 -10.985 -8.995 4.406 436 HG11 VAL 56 HG11 VAL 56 -12.575 -8.932 6.996 437 HG12 VAL 56 HG12 VAL 56 -11.176 -7.926 6.575 438 HG13 VAL 56 HG13 VAL 56 -12.689 -7.758 5.671 439 HG21 VAL 56 HG21 VAL 56 -9.740 -9.987 6.250 440 HG22 VAL 56 HG22 VAL 56 -11.115 -11.034 6.659 441 HG23 VAL 56 HG23 VAL 56 -10.265 -11.255 5.119 442 H GLU 57 H GLU 57 -14.256 -11.997 3.527 443 HA GLU 57 HA GLU 57 -15.106 -13.236 6.056 444 HB2 GLU 57 HB2 GLU 57 -17.459 -12.612 5.567 445 HB3 GLU 57 HB3 GLU 57 -16.465 -11.283 6.087 446 HG2 GLU 57 HG2 GLU 57 -16.447 -10.220 4.018 447 HG3 GLU 57 HG3 GLU 57 -16.805 -11.671 3.109 448 H GLY 58 H GLY 58 -13.611 -14.223 3.916 449 HA2 GLY 58 HA2 GLY 58 -15.080 -16.498 2.903 450 HA3 GLY 58 HA3 GLY 58 -14.812 -15.257 1.672 451 HA PRO 59 HA PRO 59 -10.973 -17.941 2.114 452 HB2 PRO 59 HB2 PRO 59 -10.845 -18.859 -0.456 453 HB3 PRO 59 HB3 PRO 59 -11.830 -19.637 0.819 454 HG2 PRO 59 HG2 PRO 59 -12.756 -17.625 -1.261 455 HG3 PRO 59 HG3 PRO 59 -13.483 -19.204 -0.818 456 HD2 PRO 59 HD2 PRO 59 -14.424 -16.896 0.201 457 HD3 PRO 59 HD3 PRO 59 -14.341 -18.389 1.185 458 H LEU 60 H LEU 60 -8.956 -17.674 0.709 459 HA LEU 60 HA LEU 60 -8.788 -15.118 -0.752 460 HB2 LEU 60 HB2 LEU 60 -7.965 -15.261 1.915 461 HB3 LEU 60 HB3 LEU 60 -6.482 -15.647 1.048 462 HG LEU 60 HG LEU 60 -8.193 -13.136 0.750 463 HD11 LEU 60 HD11 LEU 60 -6.264 -12.003 1.779 464 HD12 LEU 60 HD12 LEU 60 -6.878 -13.281 2.836 465 HD13 LEU 60 HD13 LEU 60 -5.394 -13.549 1.893 466 HD21 LEU 60 HD21 LEU 60 -5.622 -13.876 -0.712 467 HD22 LEU 60 HD22 LEU 60 -7.207 -13.482 -1.428 468 HD23 LEU 60 HD23 LEU 60 -6.283 -12.232 -0.620 469 H TRP 61 H TRP 61 -7.109 -15.170 -2.283 470 HA TRP 61 HA TRP 61 -5.963 -17.830 -2.963 471 HB2 TRP 61 HB2 TRP 61 -7.730 -15.925 -4.491 472 HB3 TRP 61 HB3 TRP 61 -6.977 -17.241 -5.288 473 HD1 TRP 61 HD1 TRP 61 -9.895 -16.278 -3.064 474 HE1 TRP 61 HE1 TRP 61 -11.592 -18.209 -2.945 475 HE3 TRP 61 HE3 TRP 61 -7.113 -19.892 -5.303 476 HZ2 TRP 61 HZ2 TRP 61 -11.677 -21.031 -3.659 477 HZ3 TRP 61 HZ3 TRP 61 -8.002 -22.212 -5.584 478 HH2 TRP 61 HH2 TRP 61 -10.283 -22.781 -4.762 479 H ILE 62 H ILE 62 -4.052 -17.590 -4.303 480 HA ILE 62 HA ILE 62 -3.048 -14.809 -4.660 481 HB ILE 62 HB ILE 62 -1.317 -17.035 -3.574 482 HG12 ILE 62 HG12 ILE 62 -3.111 -16.832 -1.865 483 HG13 ILE 62 HG13 ILE 62 -1.500 -16.464 -1.316 484 HG21 ILE 62 HG21 ILE 62 -0.234 -14.999 -4.520 485 HG22 ILE 62 HG22 ILE 62 -1.066 -14.006 -3.312 486 HG23 ILE 62 HG23 ILE 62 0.110 -15.226 -2.800 487 HD11 ILE 62 HD11 ILE 62 -3.283 -14.961 -0.401 488 HD12 ILE 62 HD12 ILE 62 -1.947 -14.105 -1.176 489 HD13 ILE 62 HD13 ILE 62 -3.495 -14.281 -2.028 490 H GLN 63 H GLN 63 -1.978 -14.555 -6.584 491 HA GLN 63 HA GLN 63 -0.690 -16.876 -7.929 492 HB2 GLN 63 HB2 GLN 63 -2.837 -16.479 -9.026 493 HB3 GLN 63 HB3 GLN 63 -2.508 -14.751 -9.170 494 HG2 GLN 63 HG2 GLN 63 -0.687 -15.171 -10.740 495 HG3 GLN 63 HG3 GLN 63 -0.881 -16.924 -10.556 496 HE21 GLN 63 HE22 GLN 63 -1.302 -14.787 -12.885 497 HE22 GLN 63 HE21 GLN 63 -2.843 -15.267 -13.548 498 H VAL 64 H VAL 64 1.304 -16.228 -9.028 499 HA VAL 64 HA VAL 64 2.231 -13.436 -8.646 500 HB VAL 64 HB VAL 64 2.581 -14.686 -6.522 501 HG11 VAL 64 HG11 VAL 64 4.346 -16.312 -6.330 502 HG12 VAL 64 HG12 VAL 64 3.190 -16.915 -7.516 503 HG13 VAL 64 HG13 VAL 64 4.727 -16.210 -8.064 504 HG21 VAL 64 HG21 VAL 64 5.112 -13.702 -7.892 505 HG22 VAL 64 HG22 VAL 64 3.848 -12.671 -7.235 506 HG23 VAL 64 HG23 VAL 64 4.744 -13.745 -6.147 507 H GLN 65 H GLN 65 4.069 -12.881 -9.972 508 HA GLN 65 HA GLN 65 5.471 -15.104 -11.231 509 HB2 GLN 65 HB2 GLN 65 5.555 -13.856 -13.391 510 HB3 GLN 65 HB3 GLN 65 4.025 -14.658 -13.080 511 HG2 GLN 65 HG2 GLN 65 4.333 -11.726 -12.367 512 HG3 GLN 65 HG3 GLN 65 4.166 -12.193 -14.044 513 HE21 GLN 65 HE22 GLN 65 2.402 -11.744 -11.051 514 HE22 GLN 65 HE21 GLN 65 0.848 -12.135 -11.778 515 H ALA 66 H ALA 66 7.577 -14.511 -11.731 516 HA ALA 66 HA ALA 66 8.632 -12.079 -10.394 517 HB1 ALA 66 HB1 ALA 66 10.833 -13.089 -10.840 518 HB2 ALA 66 HB2 ALA 66 9.790 -14.226 -9.964 519 HB3 ALA 66 HB3 ALA 66 10.063 -14.431 -11.712 520 H LEU 67 H LEU 67 9.644 -10.496 -11.539 521 HA LEU 67 HA LEU 67 9.635 -10.470 -14.508 522 HB2 LEU 67 HB2 LEU 67 8.940 -8.243 -12.526 523 HB3 LEU 67 HB3 LEU 67 9.110 -8.030 -14.249 524 HG LEU 67 HG LEU 67 7.291 -10.118 -14.194 525 HD11 LEU 67 HD11 LEU 67 7.071 -10.051 -11.804 526 HD12 LEU 67 HD12 LEU 67 6.614 -8.329 -11.883 527 HD13 LEU 67 HD13 LEU 67 5.574 -9.584 -12.610 528 HD21 LEU 67 HD21 LEU 67 5.570 -8.427 -14.669 529 HD22 LEU 67 HD22 LEU 67 6.626 -7.148 -14.027 530 HD23 LEU 67 HD23 LEU 67 7.072 -8.016 -15.522 531 H ASP 68 H ASP 68 11.121 -8.376 -15.082 532 HA ASP 68 HA ASP 68 13.657 -9.387 -14.715 533 HB2 ASP 68 HB2 ASP 68 12.920 -7.891 -16.554 534 HB3 ASP 68 HB3 ASP 68 12.981 -6.522 -15.442 535 H LYS 69 H LYS 69 12.169 -6.780 -12.778 536 HA LYS 69 HA LYS 69 14.402 -7.019 -10.842 537 HB2 LYS 69 HB2 LYS 69 13.343 -4.415 -11.896 538 HB3 LYS 69 HB3 LYS 69 14.474 -4.554 -10.561 539 HG2 LYS 69 HG2 LYS 69 15.068 -5.461 -13.397 540 HG3 LYS 69 HG3 LYS 69 15.504 -3.912 -12.708 541 HD2 LYS 69 HD2 LYS 69 16.937 -5.012 -11.006 542 HD3 LYS 69 HD3 LYS 69 16.448 -6.591 -11.593 543 HE2 LYS 69 HE2 LYS 69 18.610 -6.151 -12.495 544 HE3 LYS 69 HE3 LYS 69 17.434 -6.133 -13.814 545 HZ1 LYS 69 HZ1 LYS 69 18.568 -3.707 -12.517 546 HZ2 LYS 69 HZ2 LYS 69 19.036 -4.309 -13.962 547 HZ3 LYS 69 HZ3 LYS 69 17.530 -3.711 -13.793 548 H GLY 70 H GLY 70 11.618 -8.074 -10.788 549 HA2 GLY 70 HA2 GLY 70 10.789 -7.246 -8.173 550 HA3 GLY 70 HA3 GLY 70 9.859 -6.383 -9.378 551 H LEU 71 H LEU 71 8.151 -7.629 -8.213 552 HA LEU 71 HA LEU 71 7.485 -10.128 -9.727 553 HB2 LEU 71 HB2 LEU 71 6.910 -9.492 -6.779 554 HB3 LEU 71 HB3 LEU 71 6.184 -10.809 -7.693 555 HG LEU 71 HG LEU 71 8.274 -12.022 -7.777 556 HD11 LEU 71 HD11 LEU 71 10.008 -10.351 -7.641 557 HD12 LEU 71 HD12 LEU 71 9.375 -9.730 -6.096 558 HD13 LEU 71 HD13 LEU 71 10.119 -11.357 -6.204 559 HD21 LEU 71 HD21 LEU 71 6.657 -12.346 -5.928 560 HD22 LEU 71 HD22 LEU 71 8.303 -12.542 -5.324 561 HD23 LEU 71 HD23 LEU 71 7.418 -11.041 -4.998 562 H GLU 72 H GLU 72 5.339 -10.161 -10.345 563 HA GLU 72 HA GLU 72 3.522 -8.003 -9.355 564 HB2 GLU 72 HB2 GLU 72 3.273 -9.704 -11.869 565 HB3 GLU 72 HB3 GLU 72 1.905 -8.940 -11.100 566 HG2 GLU 72 HG2 GLU 72 2.940 -6.706 -11.354 567 HG3 GLU 72 HG3 GLU 72 4.227 -7.432 -12.313 568 H ILE 73 H ILE 73 1.857 -8.661 -8.156 569 HA ILE 73 HA ILE 73 1.430 -11.551 -7.710 570 HB ILE 73 HB ILE 73 1.199 -9.309 -5.689 571 HG12 ILE 73 HG12 ILE 73 2.959 -10.297 -4.317 572 HG13 ILE 73 HG13 ILE 73 3.357 -11.461 -5.518 573 HG21 ILE 73 HG21 ILE 73 -0.372 -11.207 -5.338 574 HG22 ILE 73 HG22 ILE 73 0.991 -12.335 -5.306 575 HG23 ILE 73 HG23 ILE 73 0.797 -11.099 -4.034 576 HD11 ILE 73 HD11 ILE 73 4.353 -9.793 -6.917 577 HD12 ILE 73 HD12 ILE 73 3.585 -8.463 -6.034 578 HD13 ILE 73 HD13 ILE 73 4.873 -9.423 -5.274 579 H ILE 74 H ILE 74 -0.720 -12.072 -8.005 580 HA ILE 74 HA ILE 74 -2.819 -9.916 -8.036 581 HB ILE 74 HB ILE 74 -2.567 -12.498 -9.650 582 HG12 ILE 74 HG12 ILE 74 -3.119 -11.173 -11.609 583 HG13 ILE 74 HG13 ILE 74 -3.252 -9.705 -10.664 584 HG21 ILE 74 HG21 ILE 74 -5.068 -10.794 -9.243 585 HG22 ILE 74 HG22 ILE 74 -4.894 -12.069 -10.471 586 HG23 ILE 74 HG23 ILE 74 -4.826 -12.497 -8.771 587 HD11 ILE 74 HD11 ILE 74 -0.847 -9.631 -10.345 588 HD12 ILE 74 HD12 ILE 74 -0.671 -11.296 -10.967 589 HD13 ILE 74 HD13 ILE 74 -1.153 -9.961 -12.043 590 H VAL 75 H VAL 75 -4.458 -10.315 -6.427 591 HA VAL 75 HA VAL 75 -4.529 -13.006 -5.298 592 HB VAL 75 HB VAL 75 -4.610 -12.361 -3.024 593 HG11 VAL 75 HG11 VAL 75 -2.256 -10.766 -4.104 594 HG12 VAL 75 HG12 VAL 75 -2.375 -11.676 -2.587 595 HG13 VAL 75 HG13 VAL 75 -2.314 -12.534 -4.144 596 HG21 VAL 75 HG21 VAL 75 -4.180 -10.087 -2.242 597 HG22 VAL 75 HG22 VAL 75 -4.269 -9.510 -3.929 598 HG23 VAL 75 HG23 VAL 75 -5.713 -10.213 -3.140 599 H THR 76 H THR 76 -6.602 -13.696 -4.659 600 HA THR 76 HA THR 76 -8.748 -12.027 -5.868 601 HB THR 76 HB THR 76 -9.319 -13.648 -7.400 602 HG1 THR 76 HG1 THR 76 -8.756 -15.727 -7.450 603 HG21 THR 76 HG21 THR 76 -6.284 -14.104 -7.351 604 HG22 THR 76 HG22 THR 76 -7.369 -14.184 -8.753 605 HG23 THR 76 HG23 THR 76 -7.050 -12.627 -7.991 606 H LYS 77 H LYS 77 -10.931 -12.928 -5.472 607 HA LYS 77 HA LYS 77 -11.282 -14.751 -3.210 608 HB2 LYS 77 HB2 LYS 77 -12.374 -11.895 -3.199 609 HB3 LYS 77 HB3 LYS 77 -12.950 -13.197 -2.174 610 HG2 LYS 77 HG2 LYS 77 -11.495 -12.435 -0.662 611 HG3 LYS 77 HG3 LYS 77 -10.363 -13.409 -1.524 612 HD2 LYS 77 HD2 LYS 77 -9.325 -11.291 -1.091 613 HD3 LYS 77 HD3 LYS 77 -9.612 -11.414 -2.813 614 HE2 LYS 77 HE2 LYS 77 -10.176 -9.224 -2.323 615 HE3 LYS 77 HE3 LYS 77 -11.732 -10.011 -2.496 616 HZ1 LYS 77 HZ1 LYS 77 -10.432 -9.450 0.133 617 HZ2 LYS 77 HZ2 LYS 77 -11.498 -8.459 -0.595 618 HZ3 LYS 77 HZ3 LYS 77 -11.986 -9.951 -0.079 619 H ALA 78 H ALA 78 -13.639 -15.353 -3.088 620 HA ALA 78 HA ALA 78 -14.659 -16.009 -5.681 621 HB1 ALA 78 HB1 ALA 78 -16.036 -16.007 -2.956 622 HB2 ALA 78 HB2 ALA 78 -16.640 -16.800 -4.422 623 HB3 ALA 78 HB3 ALA 78 -15.136 -17.365 -3.674 624 H GLN 79 H GLN 79 -16.440 -15.159 -6.799 625 HA GLN 79 HA GLN 79 -17.053 -12.327 -6.467 626 HB2 GLN 79 HB2 GLN 79 -18.167 -14.514 -8.282 627 HB3 GLN 79 HB3 GLN 79 -18.707 -12.834 -8.334 628 HG2 GLN 79 HG2 GLN 79 -16.486 -12.055 -8.947 629 HG3 GLN 79 HG3 GLN 79 -15.820 -13.681 -8.798 630 HE21 GLN 79 HE21 GLN 79 -17.551 -11.481 -10.935 631 HE22 GLN 79 HE22 GLN 79 -17.731 -12.621 -12.257 632 H LEU 80 H LEU 80 -19.441 -11.695 -6.446 633 HA LEU 80 HA LEU 80 -21.224 -13.466 -4.908 634 HB2 LEU 80 HB2 LEU 80 -20.094 -11.917 -3.285 635 HB3 LEU 80 HB3 LEU 80 -20.627 -10.539 -4.250 636 HG LEU 80 HG LEU 80 -23.002 -11.099 -3.745 637 HD11 LEU 80 HD11 LEU 80 -21.816 -13.277 -1.952 638 HD12 LEU 80 HD12 LEU 80 -23.508 -12.738 -1.937 639 HD13 LEU 80 HD13 LEU 80 -22.862 -13.539 -3.365 640 HD21 LEU 80 HD21 LEU 80 -22.964 -10.405 -1.400 641 HD22 LEU 80 HD22 LEU 80 -21.249 -10.860 -1.270 642 HD23 LEU 80 HD23 LEU 80 -21.740 -9.519 -2.323 643 H SER 81 H SER 81 -23.506 -12.876 -5.391 644 HA SER 81 HA SER 81 -23.814 -12.514 -8.129 645 HB2 SER 81 HB2 SER 81 -26.305 -12.500 -7.446 646 HB3 SER 81 HB3 SER 81 -25.307 -13.905 -7.051 647 HG SER 81 HG SER 81 -26.598 -13.210 -5.257 648 H LYS 82 H LYS 82 -23.518 -9.922 -5.874 649 HA LYS 82 HA LYS 82 -24.989 -7.881 -7.248 650 HB2 LYS 82 HB2 LYS 82 -22.231 -7.682 -5.950 651 HB3 LYS 82 HB3 LYS 82 -23.260 -6.327 -6.440 652 HG2 LYS 82 HG2 LYS 82 -25.037 -7.225 -4.842 653 HG3 LYS 82 HG3 LYS 82 -23.814 -8.339 -4.218 654 HD2 LYS 82 HD2 LYS 82 -23.707 -5.294 -4.182 655 HD3 LYS 82 HD3 LYS 82 -23.985 -6.361 -2.799 656 HE2 LYS 82 HE2 LYS 82 -21.694 -7.319 -3.081 657 HE3 LYS 82 HE3 LYS 82 -21.417 -6.244 -4.460 658 HZ1 LYS 82 HZ1 LYS 82 -20.432 -5.315 -2.530 659 HZ2 LYS 82 HZ2 LYS 82 -21.691 -4.353 -2.934 660 HZ3 LYS 82 HZ3 LYS 82 -21.826 -5.378 -1.656 661 H ASP 83 H ASP 83 -21.779 -9.359 -7.832 662 HA ASP 83 HA ASP 83 -21.333 -7.878 -10.336 663 HB2 ASP 83 HB2 ASP 83 -19.492 -8.243 -8.737 664 HB3 ASP 83 HB3 ASP 83 -19.705 -9.990 -8.880 665 H LEU 84 H LEU 84 -23.640 -9.207 -10.498 666 HA LEU 84 HA LEU 84 -23.183 -11.048 -12.697 667 HB2 LEU 84 HB2 LEU 84 -23.381 -12.451 -10.487 668 HB3 LEU 84 HB3 LEU 84 -25.072 -11.996 -10.491 669 HG LEU 84 HG LEU 84 -23.614 -13.517 -12.697 670 HD11 LEU 84 HD11 LEU 84 -23.885 -14.795 -10.600 671 HD12 LEU 84 HD12 LEU 84 -25.632 -14.447 -10.601 672 HD13 LEU 84 HD13 LEU 84 -24.912 -15.449 -11.883 673 HD21 LEU 84 HD21 LEU 84 -25.962 -14.023 -13.500 674 HD22 LEU 84 HD22 LEU 84 -26.546 -12.758 -12.390 675 HD23 LEU 84 HD23 LEU 84 -25.454 -12.357 -13.738 676 H ASP 85 H ASP 85 -25.662 -9.792 -10.363 677 HA ASP 85 HA ASP 85 -27.626 -9.274 -12.397 678 HB2 ASP 85 HB2 ASP 85 -28.136 -9.587 -9.997 679 HB3 ASP 85 HB3 ASP 85 -27.338 -8.056 -9.628 680 H LYS 86 H LYS 86 -25.128 -7.278 -10.811 681 HA LYS 86 HA LYS 86 -25.579 -5.016 -12.690 682 HB2 LYS 86 HB2 LYS 86 -24.719 -4.936 -9.787 683 HB3 LYS 86 HB3 LYS 86 -24.811 -3.558 -10.879 684 HG2 LYS 86 HG2 LYS 86 -27.104 -5.194 -9.788 685 HG3 LYS 86 HG3 LYS 86 -26.674 -3.508 -9.502 686 HD2 LYS 86 HD2 LYS 86 -27.177 -2.980 -11.913 687 HD3 LYS 86 HD3 LYS 86 -27.710 -4.659 -12.087 688 HE2 LYS 86 HE2 LYS 86 -29.706 -3.475 -11.741 689 HE3 LYS 86 HE3 LYS 86 -29.349 -4.277 -10.211 690 HZ1 LYS 86 HZ1 LYS 86 -28.517 -2.144 -9.367 691 HZ2 LYS 86 HZ2 LYS 86 -28.819 -1.412 -10.806 692 HZ3 LYS 86 HZ3 LYS 86 -30.047 -1.974 -9.897 693 H LEU 87 H LEU 87 -23.494 -3.615 -12.653 694 HA LEU 87 HA LEU 87 -20.965 -5.120 -12.775 695 HB2 LEU 87 HB2 LEU 87 -21.786 -2.285 -13.272 696 HB3 LEU 87 HB3 LEU 87 -20.110 -2.788 -13.137 697 HG LEU 87 HG LEU 87 -22.095 -4.054 -15.098 698 HD11 LEU 87 HD11 LEU 87 -19.978 -1.938 -15.448 699 HD12 LEU 87 HD12 LEU 87 -20.943 -2.682 -16.764 700 HD13 LEU 87 HD13 LEU 87 -21.749 -1.705 -15.521 701 HD21 LEU 87 HD21 LEU 87 -19.963 -4.796 -16.241 702 HD22 LEU 87 HD22 LEU 87 -19.064 -4.257 -14.804 703 HD23 LEU 87 HD23 LEU 87 -20.246 -5.583 -14.691 704 H VAL 88 H VAL 88 -19.187 -4.112 -11.305 705 HA VAL 88 HA VAL 88 -20.217 -2.915 -8.806 706 HB VAL 88 HB VAL 88 -18.802 -4.326 -7.429 707 HG11 VAL 88 HG11 VAL 88 -21.173 -4.936 -7.754 708 HG12 VAL 88 HG12 VAL 88 -20.710 -6.022 -9.081 709 HG13 VAL 88 HG13 VAL 88 -20.148 -6.336 -7.423 710 HG21 VAL 88 HG21 VAL 88 -17.085 -4.962 -9.047 711 HG22 VAL 88 HG22 VAL 88 -17.767 -6.374 -8.231 712 HG23 VAL 88 HG23 VAL 88 -18.252 -6.001 -9.902 713 HA PRO 89 HA PRO 89 -17.028 -0.002 -9.232 714 HB2 PRO 89 HB2 PRO 89 -16.084 -0.706 -6.445 715 HB3 PRO 89 HB3 PRO 89 -16.412 0.906 -7.162 716 HG2 PRO 89 HG2 PRO 89 -18.204 -0.265 -5.524 717 HG3 PRO 89 HG3 PRO 89 -18.748 0.619 -6.989 718 HD2 PRO 89 HD2 PRO 89 -18.527 -2.351 -6.571 719 HD3 PRO 89 HD3 PRO 89 -19.736 -1.411 -7.473 720 H ARG 90 H ARG 90 -14.881 0.308 -9.657 721 HA ARG 90 HA ARG 90 -13.033 -1.942 -9.973 722 HB2 ARG 90 HB2 ARG 90 -12.643 1.064 -10.222 723 HB3 ARG 90 HB3 ARG 90 -11.394 -0.160 -10.490 724 HG2 ARG 90 HG2 ARG 90 -12.838 -1.196 -12.280 725 HG3 ARG 90 HG3 ARG 90 -13.972 0.161 -12.095 726 HD2 ARG 90 HD2 ARG 90 -12.138 1.746 -12.643 727 HD3 ARG 90 HD3 ARG 90 -11.028 0.364 -12.832 728 HE ARG 90 HE ARG 90 -13.249 -0.088 -14.507 729 HH11 ARG 90 HH11 ARG 90 -10.540 2.208 -14.317 730 HH12 ARG 90 HH12 ARG 90 -10.504 2.518 -16.018 731 HH21 ARG 90 HH21 ARG 90 -13.217 0.345 -16.767 732 HH22 ARG 90 HH22 ARG 90 -12.055 1.436 -17.435 Start of MODEL 3 1 H1 MET 1 H1 MET 1 4.465 0.728 -2.420 2 H2 MET 1 H2 MET 1 5.971 0.051 -2.493 3 H3 MET 1 H3 MET 1 5.529 1.232 -3.547 4 HA MET 1 HA MET 1 5.511 -0.803 -4.703 5 HB2 MET 1 HB2 MET 1 4.236 -2.712 -4.090 6 HB3 MET 1 HB3 MET 1 5.221 -2.272 -2.721 7 HG2 MET 1 HG2 MET 1 3.150 -1.098 -1.759 8 HG3 MET 1 HG3 MET 1 2.228 -1.885 -3.035 9 HE1 MET 1 HE1 MET 1 2.768 -5.665 -2.117 10 HE2 MET 1 HE2 MET 1 2.184 -4.484 -3.313 11 HE3 MET 1 HE3 MET 1 3.935 -4.742 -3.089 12 H GLU 2 H GLU 2 3.521 -1.760 -6.014 13 HA GLU 2 HA GLU 2 2.007 0.660 -6.854 14 HB2 GLU 2 HB2 GLU 2 3.818 -1.385 -8.125 15 HB3 GLU 2 HB3 GLU 2 2.495 -0.830 -9.095 16 HG2 GLU 2 HG2 GLU 2 4.479 0.484 -9.540 17 HG3 GLU 2 HG3 GLU 2 3.201 1.492 -8.871 18 H ILE 3 H ILE 3 0.189 -0.039 -5.490 19 HA ILE 3 HA ILE 3 -1.134 -2.589 -5.808 20 HB ILE 3 HB ILE 3 -2.247 0.027 -4.760 21 HG12 ILE 3 HG12 ILE 3 -0.251 -0.461 -3.464 22 HG13 ILE 3 HG13 ILE 3 -1.708 -0.740 -2.546 23 HG21 ILE 3 HG21 ILE 3 -3.149 -2.868 -4.405 24 HG22 ILE 3 HG22 ILE 3 -3.714 -1.525 -3.389 25 HG23 ILE 3 HG23 ILE 3 -4.064 -1.517 -5.112 26 HD11 ILE 3 HD11 ILE 3 -0.080 -2.424 -2.017 27 HD12 ILE 3 HD12 ILE 3 -1.458 -3.192 -2.813 28 HD13 ILE 3 HD13 ILE 3 0.053 -2.911 -3.721 29 H GLU 4 H GLU 4 -3.115 -3.010 -7.037 30 HA GLU 4 HA GLU 4 -4.335 -0.803 -8.583 31 HB2 GLU 4 HB2 GLU 4 -2.686 -1.958 -10.119 32 HB3 GLU 4 HB3 GLU 4 -3.504 -3.460 -9.831 33 HG2 GLU 4 HG2 GLU 4 -5.343 -2.873 -11.069 34 HG3 GLU 4 HG3 GLU 4 -5.169 -1.139 -10.782 35 H ARG 5 H ARG 5 -6.609 -1.053 -8.613 36 HA ARG 5 HA ARG 5 -7.757 -3.555 -7.452 37 HB2 ARG 5 HB2 ARG 5 -9.188 -1.043 -8.330 38 HB3 ARG 5 HB3 ARG 5 -9.883 -2.449 -7.534 39 HG2 ARG 5 HG2 ARG 5 -8.020 -0.364 -6.390 40 HG3 ARG 5 HG3 ARG 5 -9.671 -0.830 -5.966 41 HD2 ARG 5 HD2 ARG 5 -8.975 -2.816 -4.842 42 HD3 ARG 5 HD3 ARG 5 -7.320 -2.643 -5.429 43 HE ARG 5 HE ARG 5 -6.870 -1.048 -3.830 44 HH11 ARG 5 HH11 ARG 5 -10.409 -1.698 -3.767 45 HH12 ARG 5 HH12 ARG 5 -10.696 -0.513 -2.528 46 HH21 ARG 5 HH21 ARG 5 -7.363 0.410 -2.018 47 HH22 ARG 5 HH22 ARG 5 -9.026 0.477 -1.465 48 H ILE 6 H ILE 6 -8.324 -5.155 -8.922 49 HA ILE 6 HA ILE 6 -8.541 -4.543 -11.789 50 HB ILE 6 HB ILE 6 -9.104 -7.118 -10.282 51 HG12 ILE 6 HG12 ILE 6 -6.858 -6.588 -9.719 52 HG13 ILE 6 HG13 ILE 6 -6.844 -7.770 -10.971 53 HG21 ILE 6 HG21 ILE 6 -10.064 -7.162 -12.509 54 HG22 ILE 6 HG22 ILE 6 -8.521 -6.628 -13.219 55 HG23 ILE 6 HG23 ILE 6 -8.644 -8.217 -12.433 56 HD11 ILE 6 HD11 ILE 6 -5.169 -6.323 -11.700 57 HD12 ILE 6 HD12 ILE 6 -6.544 -5.634 -12.571 58 HD13 ILE 6 HD13 ILE 6 -5.974 -4.900 -11.043 59 H ASN 7 H ASN 7 -10.665 -6.100 -9.375 60 HA ASN 7 HA ASN 7 -13.014 -4.492 -10.159 61 HB2 ASN 7 HB2 ASN 7 -14.367 -6.357 -10.776 62 HB3 ASN 7 HB3 ASN 7 -12.904 -6.460 -11.739 63 HD21 ASN 7 HD22 ASN 7 -14.540 -8.702 -11.433 64 HD22 ASN 7 HD21 ASN 7 -13.682 -9.896 -10.490 65 H GLU 8 H GLU 8 -11.215 -5.169 -7.755 66 HA GLU 8 HA GLU 8 -11.344 -5.152 -5.574 67 HB2 GLU 8 HB2 GLU 8 -13.477 -3.774 -6.040 68 HB3 GLU 8 HB3 GLU 8 -14.380 -5.231 -5.641 69 HG2 GLU 8 HG2 GLU 8 -14.205 -3.792 -3.691 70 HG3 GLU 8 HG3 GLU 8 -13.354 -5.305 -3.414 71 H HIS 9 H HIS 9 -13.397 -7.659 -7.103 72 HA HIS 9 HA HIS 9 -13.040 -9.542 -4.858 73 HB2 HIS 9 HB2 HIS 9 -13.611 -10.030 -7.819 74 HB3 HIS 9 HB3 HIS 9 -13.736 -11.217 -6.528 75 HD1 HIS 9 HD1 HIS 9 -16.201 -10.137 -8.451 76 HD2 HIS 9 HD2 HIS 9 -15.349 -9.064 -4.460 77 HE1 HIS 9 HE1 HIS 9 -18.380 -9.297 -7.447 78 H THR 10 H THR 10 -11.391 -8.758 -7.912 79 HA THR 10 HA THR 10 -8.943 -10.081 -6.905 80 HB THR 10 HB THR 10 -9.694 -9.200 -9.714 81 HG1 THR 10 HG1 THR 10 -10.162 -11.333 -10.073 82 HG21 THR 10 HG21 THR 10 -7.370 -10.960 -8.822 83 HG22 THR 10 HG22 THR 10 -7.732 -10.408 -10.475 84 HG23 THR 10 HG23 THR 10 -7.201 -9.249 -9.253 85 H VAL 11 H VAL 11 -7.158 -8.869 -6.624 86 HA VAL 11 HA VAL 11 -7.055 -6.059 -7.512 87 HB VAL 11 HB VAL 11 -5.953 -5.369 -5.443 88 HG11 VAL 11 HG11 VAL 11 -7.911 -5.167 -4.023 89 HG12 VAL 11 HG12 VAL 11 -8.440 -5.070 -5.712 90 HG13 VAL 11 HG13 VAL 11 -8.687 -6.562 -4.794 91 HG21 VAL 11 HG21 VAL 11 -6.736 -8.089 -4.280 92 HG22 VAL 11 HG22 VAL 11 -5.082 -7.521 -4.607 93 HG23 VAL 11 HG23 VAL 11 -6.058 -6.711 -3.376 94 H LYS 12 H LYS 12 -4.663 -5.497 -7.792 95 HA LYS 12 HA LYS 12 -2.916 -7.831 -7.443 96 HB2 LYS 12 HB2 LYS 12 -1.951 -7.853 -9.541 97 HB3 LYS 12 HB3 LYS 12 -3.671 -7.838 -9.864 98 HG2 LYS 12 HG2 LYS 12 -3.538 -5.503 -10.478 99 HG3 LYS 12 HG3 LYS 12 -1.796 -5.470 -10.117 100 HD2 LYS 12 HD2 LYS 12 -1.388 -7.264 -11.776 101 HD3 LYS 12 HD3 LYS 12 -3.119 -7.315 -12.188 102 HE2 LYS 12 HE2 LYS 12 -3.061 -5.031 -12.995 103 HE3 LYS 12 HE3 LYS 12 -1.432 -4.832 -12.319 104 HZ1 LYS 12 HZ1 LYS 12 -2.081 -6.649 -14.581 105 HZ2 LYS 12 HZ2 LYS 12 -1.389 -5.174 -14.729 106 HZ3 LYS 12 HZ3 LYS 12 -0.577 -6.363 -13.949 107 H PHE 13 H PHE 13 -0.573 -7.133 -7.732 108 HA PHE 13 HA PHE 13 -0.180 -4.274 -7.385 109 HB2 PHE 13 HB2 PHE 13 1.302 -4.546 -5.441 110 HB3 PHE 13 HB3 PHE 13 -0.362 -4.948 -5.076 111 HD1 PHE 13 HD2 PHE 13 -1.148 -7.154 -4.617 112 HD2 PHE 13 HD1 PHE 13 3.023 -6.305 -5.250 113 HE1 PHE 13 HE2 PHE 13 -0.530 -9.125 -3.206 114 HE2 PHE 13 HE1 PHE 13 3.642 -8.250 -3.809 115 HZ PHE 13 HZ PHE 13 1.828 -9.571 -2.694 116 H TYR 14 H TYR 14 2.068 -3.690 -7.811 117 HA TYR 14 HA TYR 14 3.795 -5.906 -8.744 118 HB2 TYR 14 HB2 TYR 14 3.240 -4.637 -10.692 119 HB3 TYR 14 HB3 TYR 14 3.438 -3.117 -9.866 120 HD1 TYR 14 HD1 TYR 14 5.262 -6.150 -11.012 121 HD2 TYR 14 HD2 TYR 14 5.563 -2.101 -9.616 122 HE1 TYR 14 HE1 TYR 14 7.650 -6.191 -11.588 123 HE2 TYR 14 HE2 TYR 14 8.014 -2.102 -10.155 124 HH TYR 14 HH TYR 14 9.797 -3.311 -11.082 125 H MET 15 H MET 15 5.906 -5.749 -8.019 126 HA MET 15 HA MET 15 6.426 -3.943 -5.705 127 HB2 MET 15 HB2 MET 15 5.269 -6.155 -5.072 128 HB3 MET 15 HB3 MET 15 6.679 -6.977 -5.717 129 HG2 MET 15 HG2 MET 15 8.085 -5.964 -4.075 130 HG3 MET 15 HG3 MET 15 6.780 -4.907 -3.559 131 HE1 MET 15 HE1 MET 15 5.622 -5.332 -1.376 132 HE2 MET 15 HE2 MET 15 6.243 -6.658 -0.382 133 HE3 MET 15 HE3 MET 15 7.378 -5.535 -1.177 134 H SER 16 H SER 16 8.243 -2.977 -6.505 135 HA SER 16 HA SER 16 10.232 -4.360 -8.116 136 HB2 SER 16 HB2 SER 16 10.662 -1.881 -6.466 137 HB3 SER 16 HB3 SER 16 11.507 -2.359 -7.946 138 HG SER 16 HG SER 16 9.925 -0.690 -8.294 139 H TYR 17 H TYR 17 12.292 -5.104 -7.337 140 HA TYR 17 HA TYR 17 12.377 -6.447 -4.911 141 HB2 TYR 17 HB2 TYR 17 14.745 -5.272 -6.386 142 HB3 TYR 17 HB3 TYR 17 14.811 -6.562 -5.190 143 HD1 TYR 17 HD1 TYR 17 12.280 -8.131 -6.183 144 HD2 TYR 17 HD2 TYR 17 15.702 -6.445 -8.217 145 HE1 TYR 17 HE1 TYR 17 12.073 -9.825 -7.922 146 HE2 TYR 17 HE2 TYR 17 15.466 -8.114 -10.005 147 HH TYR 17 HH TYR 17 14.190 -9.948 -10.828 148 H GLY 18 H GLY 18 13.217 -3.006 -5.395 149 HA2 GLY 18 HA2 GLY 18 14.506 -2.641 -2.912 150 HA3 GLY 18 HA3 GLY 18 13.727 -1.403 -3.869 151 H ASP 19 H ASP 19 10.989 -2.894 -3.610 152 HA ASP 19 HA ASP 19 10.149 -1.639 -1.118 153 HB2 ASP 19 HB2 ASP 19 8.738 -2.100 -3.256 154 HB3 ASP 19 HB3 ASP 19 8.578 -3.732 -2.654 155 H ILE 20 H ILE 20 11.018 -4.881 -2.218 156 HA ILE 20 HA ILE 20 10.319 -6.332 0.178 157 HB ILE 20 HB ILE 20 11.941 -6.908 -2.317 158 HG12 ILE 20 HG12 ILE 20 9.431 -8.357 -1.496 159 HG13 ILE 20 HG13 ILE 20 9.277 -6.698 -2.044 160 HG21 ILE 20 HG21 ILE 20 11.939 -9.296 -1.658 161 HG22 ILE 20 HG22 ILE 20 12.984 -8.277 -0.660 162 HG23 ILE 20 HG23 ILE 20 11.417 -8.820 -0.031 163 HD11 ILE 20 HD11 ILE 20 10.284 -7.176 -4.182 164 HD12 ILE 20 HD12 ILE 20 10.589 -8.872 -3.703 165 HD13 ILE 20 HD13 ILE 20 8.925 -8.253 -3.885 166 H GLU 21 H GLU 21 13.349 -4.970 -1.149 167 HA GLU 21 HA GLU 21 15.128 -5.580 0.956 168 HB2 GLU 21 HB2 GLU 21 14.966 -3.169 -0.861 169 HB3 GLU 21 HB3 GLU 21 16.319 -3.462 0.194 170 HG2 GLU 21 HG2 GLU 21 15.522 -5.690 -1.695 171 HG3 GLU 21 HG3 GLU 21 16.220 -4.227 -2.321 172 H ASP 22 H ASP 22 12.866 -2.839 0.598 173 HA ASP 22 HA ASP 22 13.711 -1.304 2.807 174 HB2 ASP 22 HB2 ASP 22 12.048 -0.622 1.025 175 HB3 ASP 22 HB3 ASP 22 10.837 -1.563 1.861 176 H ARG 23 H ARG 23 11.336 -3.911 2.612 177 HA ARG 23 HA ARG 23 10.503 -3.952 5.388 178 HB2 ARG 23 HB2 ARG 23 10.403 -6.004 3.216 179 HB3 ARG 23 HB3 ARG 23 9.518 -6.025 4.758 180 HG2 ARG 23 HG2 ARG 23 7.988 -4.449 4.135 181 HG3 ARG 23 HG3 ARG 23 9.063 -3.665 2.966 182 HD2 ARG 23 HD2 ARG 23 8.936 -5.660 1.502 183 HD3 ARG 23 HD3 ARG 23 7.796 -6.398 2.600 184 HE ARG 23 HE ARG 23 7.406 -4.063 0.823 185 HH11 ARG 23 HH11 ARG 23 5.949 -6.247 3.249 186 HH12 ARG 23 HH12 ARG 23 4.341 -5.676 2.966 187 HH21 ARG 23 HH21 ARG 23 5.464 -3.380 0.396 188 HH22 ARG 23 HH22 ARG 23 4.013 -3.918 1.213 189 H GLY 24 H GLY 24 13.419 -4.791 3.824 190 HA2 GLY 24 HA2 GLY 24 15.371 -5.503 4.812 191 HA3 GLY 24 HA3 GLY 24 14.470 -6.093 6.211 192 H PHE 25 H PHE 25 12.911 -7.146 3.430 193 HA PHE 25 HA PHE 25 13.971 -9.882 3.754 194 HB2 PHE 25 HB2 PHE 25 11.525 -8.810 2.293 195 HB3 PHE 25 HB3 PHE 25 11.887 -10.513 2.616 196 HD1 PHE 25 HD1 PHE 25 12.693 -10.745 5.313 197 HD2 PHE 25 HD2 PHE 25 9.744 -7.981 3.742 198 HE1 PHE 25 HE1 PHE 25 11.807 -10.376 7.578 199 HE2 PHE 25 HE2 PHE 25 8.780 -7.780 5.957 200 HZ PHE 25 HZ PHE 25 9.830 -8.891 7.926 201 H ASP 26 H ASP 26 13.622 -11.062 1.364 202 HA ASP 26 HA ASP 26 15.246 -9.576 -0.609 203 HB2 ASP 26 HB2 ASP 26 16.545 -11.260 1.114 204 HB3 ASP 26 HB3 ASP 26 16.000 -12.423 -0.078 205 H ARG 27 H ARG 27 15.047 -10.626 -2.756 206 HA ARG 27 HA ARG 27 12.288 -11.207 -3.134 207 HB2 ARG 27 HB2 ARG 27 12.797 -11.431 -5.500 208 HB3 ARG 27 HB3 ARG 27 13.725 -10.088 -4.826 209 HG2 ARG 27 HG2 ARG 27 15.748 -11.541 -4.726 210 HG3 ARG 27 HG3 ARG 27 14.811 -12.875 -5.432 211 HD2 ARG 27 HD2 ARG 27 14.393 -11.538 -7.447 212 HD3 ARG 27 HD3 ARG 27 15.346 -10.199 -6.778 213 HE ARG 27 HE ARG 27 17.215 -11.983 -6.604 214 HH11 ARG 27 HH21 ARG 27 14.944 -11.710 -9.348 215 HH12 ARG 27 HH22 ARG 27 16.000 -12.516 -10.456 216 HH21 ARG 27 HH11 ARG 27 18.599 -13.023 -8.090 217 HH22 ARG 27 HH12 ARG 27 18.132 -13.237 -9.734 218 H GLU 28 H GLU 28 15.020 -13.440 -2.806 219 HA GLU 28 HA GLU 28 13.304 -15.776 -3.357 220 HB2 GLU 28 HB2 GLU 28 16.105 -15.512 -2.230 221 HB3 GLU 28 HB3 GLU 28 15.283 -17.040 -2.502 222 HG2 GLU 28 HG2 GLU 28 15.023 -16.435 -4.923 223 HG3 GLU 28 HG3 GLU 28 15.976 -14.986 -4.619 224 H GLU 29 H GLU 29 14.736 -14.113 -0.511 225 HA GLU 29 HA GLU 29 14.069 -16.022 1.413 226 HB2 GLU 29 HB2 GLU 29 14.435 -13.012 1.531 227 HB3 GLU 29 HB3 GLU 29 14.190 -13.906 2.997 228 HG2 GLU 29 HG2 GLU 29 16.408 -14.737 1.110 229 HG3 GLU 29 HG3 GLU 29 16.555 -13.352 2.182 230 H ILE 30 H ILE 30 12.143 -13.400 0.186 231 HA ILE 30 HA ILE 30 9.848 -13.429 1.797 232 HB ILE 30 HB ILE 30 10.129 -13.206 -1.202 233 HG12 ILE 30 HG12 ILE 30 11.069 -11.451 0.525 234 HG13 ILE 30 HG13 ILE 30 10.275 -10.978 -0.958 235 HG21 ILE 30 HG21 ILE 30 7.794 -13.858 -0.883 236 HG22 ILE 30 HG22 ILE 30 7.598 -12.629 0.388 237 HG23 ILE 30 HG23 ILE 30 7.886 -12.136 -1.288 238 HD11 ILE 30 HD11 ILE 30 8.253 -10.343 0.287 239 HD12 ILE 30 HD12 ILE 30 8.873 -11.108 1.757 240 HD13 ILE 30 HD13 ILE 30 9.635 -9.642 1.122 241 H TRP 31 H TRP 31 10.591 -15.708 -0.906 242 HA TRP 31 HA TRP 31 8.176 -17.237 -0.493 243 HB2 TRP 31 HB2 TRP 31 10.635 -17.962 -2.094 244 HB3 TRP 31 HB3 TRP 31 9.034 -18.648 -2.284 245 HD1 TRP 31 HD1 TRP 31 11.153 -16.303 -3.912 246 HE1 TRP 31 HE1 TRP 31 10.003 -14.303 -4.986 247 HE3 TRP 31 HE3 TRP 31 6.431 -17.013 -2.050 248 HZ2 TRP 31 HZ2 TRP 31 7.445 -12.946 -4.726 249 HZ3 TRP 31 HZ3 TRP 31 4.638 -15.367 -2.539 250 HH2 TRP 31 HH2 TRP 31 5.141 -13.319 -3.841 251 H TYR 32 H TYR 32 11.267 -17.401 1.050 252 HA TYR 32 HA TYR 32 10.925 -20.306 1.618 253 HB2 TYR 32 HB2 TYR 32 13.432 -18.617 1.408 254 HB3 TYR 32 HB3 TYR 32 13.391 -20.339 1.767 255 HD1 TYR 32 HD2 TYR 32 11.671 -21.671 0.021 256 HD2 TYR 32 HD1 TYR 32 14.156 -18.244 -0.838 257 HE1 TYR 32 HE2 TYR 32 11.649 -22.258 -2.365 258 HE2 TYR 32 HE1 TYR 32 14.052 -18.767 -3.238 259 HH TYR 32 HH TYR 32 12.312 -21.644 -4.540 260 H ASN 33 H ASN 33 10.209 -17.584 3.179 261 HA ASN 33 HA ASN 33 10.643 -18.761 5.876 262 HB2 ASN 33 HB2 ASN 33 11.088 -15.916 4.868 263 HB3 ASN 33 HB3 ASN 33 10.999 -16.334 6.561 264 HD21 ASN 33 HD22 ASN 33 12.863 -16.282 3.687 265 HD22 ASN 33 HD21 ASN 33 14.404 -16.799 4.335 266 H ARG 34 H ARG 34 8.354 -19.416 5.895 267 HA ARG 34 HA ARG 34 6.361 -18.196 4.439 268 HB2 ARG 34 HB2 ARG 34 6.022 -20.367 5.433 269 HB3 ARG 34 HB3 ARG 34 6.078 -19.691 7.071 270 HG2 ARG 34 HG2 ARG 34 4.039 -18.408 6.674 271 HG3 ARG 34 HG3 ARG 34 3.996 -18.910 4.979 272 HD2 ARG 34 HD2 ARG 34 3.447 -21.174 5.604 273 HD3 ARG 34 HD3 ARG 34 3.803 -20.836 7.319 274 HE ARG 34 HE ARG 34 1.898 -18.946 6.594 275 HH11 ARG 34 HH21 ARG 34 1.864 -22.507 6.776 276 HH12 ARG 34 HH22 ARG 34 0.160 -22.575 7.083 277 HH21 ARG 34 HH11 ARG 34 -0.172 -19.000 6.962 278 HH22 ARG 34 HH12 ARG 34 -1.080 -20.484 7.199 279 H GLU 35 H GLU 35 7.235 -17.288 7.819 280 HA GLU 35 HA GLU 35 4.951 -15.529 8.036 281 HB2 GLU 35 HB2 GLU 35 5.970 -14.751 10.103 282 HB3 GLU 35 HB3 GLU 35 5.906 -16.504 10.052 283 HG2 GLU 35 HG2 GLU 35 8.436 -14.952 9.361 284 HG3 GLU 35 HG3 GLU 35 8.005 -15.371 11.010 285 H ARG 36 H ARG 36 8.027 -15.234 6.513 286 HA ARG 36 HA ARG 36 7.924 -12.271 6.447 287 HB2 ARG 36 HB2 ARG 36 10.046 -14.224 5.567 288 HB3 ARG 36 HB3 ARG 36 10.143 -12.506 5.526 289 HG2 ARG 36 HG2 ARG 36 10.259 -14.366 7.895 290 HG3 ARG 36 HG3 ARG 36 11.352 -13.065 7.439 291 HD2 ARG 36 HD2 ARG 36 9.709 -11.372 8.156 292 HD3 ARG 36 HD3 ARG 36 8.562 -12.636 8.585 293 HE ARG 36 HE ARG 36 11.079 -13.059 9.901 294 HH11 ARG 36 HH21 ARG 36 8.185 -10.989 10.106 295 HH12 ARG 36 HH22 ARG 36 8.361 -10.688 11.798 296 HH21 ARG 36 HH11 ARG 36 11.298 -12.653 12.150 297 HH22 ARG 36 HH12 ARG 36 10.161 -11.657 12.980 298 H SER 37 H SER 37 6.916 -15.000 4.635 299 HA SER 37 HA SER 37 6.665 -13.355 2.185 300 HB2 SER 37 HB2 SER 37 4.678 -15.436 2.349 301 HB3 SER 37 HB3 SER 37 5.917 -15.159 1.137 302 HG SER 37 HG SER 37 7.385 -16.259 2.389 303 H GLU 38 H GLU 38 4.663 -14.567 4.928 304 HA GLU 38 HA GLU 38 2.256 -13.457 4.199 305 HB2 GLU 38 HB2 GLU 38 3.476 -14.239 6.837 306 HB3 GLU 38 HB3 GLU 38 1.876 -13.478 6.804 307 HG2 GLU 38 HG2 GLU 38 0.992 -15.117 5.309 308 HG3 GLU 38 HG3 GLU 38 2.565 -15.893 5.087 309 H GLU 39 H GLU 39 4.919 -11.676 5.764 310 HA GLU 39 HA GLU 39 3.494 -9.387 6.616 311 HB2 GLU 39 HB2 GLU 39 5.749 -8.327 6.535 312 HB3 GLU 39 HB3 GLU 39 5.876 -9.974 7.123 313 HG2 GLU 39 HG2 GLU 39 7.607 -9.891 5.645 314 HG3 GLU 39 HG3 GLU 39 6.384 -10.590 4.644 315 H LEU 40 H LEU 40 4.652 -10.346 3.424 316 HA LEU 40 HA LEU 40 4.310 -7.939 2.054 317 HB2 LEU 40 HB2 LEU 40 5.413 -10.121 1.266 318 HB3 LEU 40 HB3 LEU 40 3.796 -10.680 0.907 319 HG LEU 40 HG LEU 40 5.521 -8.739 -0.537 320 HD11 LEU 40 HD11 LEU 40 3.430 -10.695 -1.482 321 HD12 LEU 40 HD12 LEU 40 4.674 -9.854 -2.451 322 HD13 LEU 40 HD13 LEU 40 5.152 -11.053 -1.251 323 HD21 LEU 40 HD21 LEU 40 3.648 -7.232 0.022 324 HD22 LEU 40 HD22 LEU 40 3.746 -7.606 -1.679 325 HD23 LEU 40 HD23 LEU 40 2.509 -8.407 -0.685 326 H PHE 41 H PHE 41 2.166 -10.750 2.275 327 HA PHE 41 HA PHE 41 -0.003 -9.680 0.869 328 HB2 PHE 41 HB2 PHE 41 0.060 -11.974 2.856 329 HB3 PHE 41 HB3 PHE 41 -1.200 -11.673 1.662 330 HD1 PHE 41 HD1 PHE 41 2.260 -12.734 2.191 331 HD2 PHE 41 HD2 PHE 41 -0.673 -11.814 -0.811 332 HE1 PHE 41 HE1 PHE 41 3.772 -13.659 0.460 333 HE2 PHE 41 HE2 PHE 41 0.825 -12.757 -2.548 334 HZ PHE 41 HZ PHE 41 3.036 -13.700 -1.928 335 H TRP 42 H TRP 42 0.668 -9.871 4.394 336 HA TRP 42 HA TRP 42 -1.767 -8.672 5.215 337 HB2 TRP 42 HB2 TRP 42 0.937 -9.111 6.450 338 HB3 TRP 42 HB3 TRP 42 -0.156 -7.996 7.232 339 HD1 TRP 42 HD1 TRP 42 0.489 -11.648 6.910 340 HE1 TRP 42 HE1 TRP 42 -1.382 -13.048 7.932 341 HE3 TRP 42 HE3 TRP 42 -3.028 -7.969 7.483 342 HZ2 TRP 42 HZ2 TRP 42 -4.149 -12.653 8.747 343 HZ3 TRP 42 HZ3 TRP 42 -5.305 -8.531 8.290 344 HH2 TRP 42 HH2 TRP 42 -5.882 -10.871 8.905 345 H GLU 43 H GLU 43 1.251 -7.059 3.988 346 HA GLU 43 HA GLU 43 0.233 -4.460 4.805 347 HB2 GLU 43 HB2 GLU 43 2.457 -5.308 2.917 348 HB3 GLU 43 HB3 GLU 43 1.979 -3.629 3.116 349 HG2 GLU 43 HG2 GLU 43 2.991 -5.430 5.342 350 HG3 GLU 43 HG3 GLU 43 3.911 -4.183 4.521 351 H VAL 44 H VAL 44 -0.021 -6.406 1.721 352 HA VAL 44 HA VAL 44 -1.168 -4.169 0.352 353 HB VAL 44 HB VAL 44 -1.918 -5.875 -1.250 354 HG11 VAL 44 HG11 VAL 44 0.309 -4.683 -1.350 355 HG12 VAL 44 HG12 VAL 44 1.037 -6.032 -0.443 356 HG13 VAL 44 HG13 VAL 44 0.397 -6.300 -2.065 357 HG21 VAL 44 HG21 VAL 44 -0.986 -8.110 -1.230 358 HG22 VAL 44 HG22 VAL 44 -0.299 -7.787 0.361 359 HG23 VAL 44 HG23 VAL 44 -2.073 -7.887 0.141 360 H MET 45 H MET 45 -2.596 -6.965 2.052 361 HA MET 45 HA MET 45 -5.307 -6.181 1.729 362 HB2 MET 45 HB2 MET 45 -3.759 -7.893 3.678 363 HB3 MET 45 HB3 MET 45 -5.302 -7.264 4.239 364 HG2 MET 45 HG2 MET 45 -5.666 -9.417 3.186 365 HG3 MET 45 HG3 MET 45 -6.444 -8.086 2.332 366 HE1 MET 45 HE1 MET 45 -5.784 -9.045 -1.171 367 HE2 MET 45 HE2 MET 45 -6.976 -9.304 0.127 368 HE3 MET 45 HE3 MET 45 -6.298 -7.679 -0.157 369 H ASP 46 H ASP 46 -2.888 -5.172 4.155 370 HA ASP 46 HA ASP 46 -4.554 -3.482 5.677 371 HB2 ASP 46 HB2 ASP 46 -2.301 -4.013 6.387 372 HB3 ASP 46 HB3 ASP 46 -1.622 -3.053 5.080 373 H GLU 47 H GLU 47 -2.775 -2.801 2.647 374 HA GLU 47 HA GLU 47 -3.419 -0.067 2.391 375 HB2 GLU 47 HB2 GLU 47 -2.222 -2.269 0.789 376 HB3 GLU 47 HB3 GLU 47 -3.085 -1.130 -0.185 377 HG2 GLU 47 HG2 GLU 47 -0.847 -0.479 1.767 378 HG3 GLU 47 HG3 GLU 47 -0.684 -0.639 0.034 379 H VAL 48 H VAL 48 -5.538 -2.640 2.395 380 HA VAL 48 HA VAL 48 -7.613 -1.181 0.841 381 HB VAL 48 HB VAL 48 -7.183 -4.202 0.855 382 HG11 VAL 48 HG11 VAL 48 -9.508 -3.619 0.362 383 HG12 VAL 48 HG12 VAL 48 -9.006 -2.376 -0.774 384 HG13 VAL 48 HG13 VAL 48 -8.742 -4.101 -1.135 385 HG21 VAL 48 HG21 VAL 48 -6.443 -4.066 -1.463 386 HG22 VAL 48 HG22 VAL 48 -6.541 -2.285 -1.432 387 HG23 VAL 48 HG23 VAL 48 -5.346 -3.150 -0.455 388 H HIS 49 H HIS 49 -6.672 -2.122 3.856 389 HA HIS 49 HA HIS 49 -8.454 -3.837 4.812 390 HB2 HIS 49 HB2 HIS 49 -6.492 -2.902 6.017 391 HB3 HIS 49 HB3 HIS 49 -7.479 -1.521 6.493 392 HD1 HIS 49 HD1 HIS 49 -7.526 -2.107 9.104 393 HD2 HIS 49 HD2 HIS 49 -8.766 -5.188 6.515 394 HE1 HIS 49 HE1 HIS 49 -8.501 -3.930 10.583 395 H GLU 50 H GLU 50 -9.162 -0.347 4.583 396 HA GLU 50 HA GLU 50 -11.574 -0.366 6.108 397 HB2 GLU 50 HB2 GLU 50 -10.605 1.479 3.890 398 HB3 GLU 50 HB3 GLU 50 -11.982 1.828 4.944 399 HG2 GLU 50 HG2 GLU 50 -10.475 1.723 6.934 400 HG3 GLU 50 HG3 GLU 50 -9.091 1.523 5.857 401 H GLU 51 H GLU 51 -10.972 -1.730 3.068 402 HA GLU 51 HA GLU 51 -13.842 -1.789 2.305 403 HB2 GLU 51 HB2 GLU 51 -11.299 -2.008 0.650 404 HB3 GLU 51 HB3 GLU 51 -12.928 -2.262 0.028 405 HG2 GLU 51 HG2 GLU 51 -13.558 0.008 0.434 406 HG3 GLU 51 HG3 GLU 51 -12.133 0.334 1.404 407 H GLU 52 H GLU 52 -10.809 -3.684 2.740 408 HA GLU 52 HA GLU 52 -11.804 -6.282 2.170 409 HB2 GLU 52 HB2 GLU 52 -9.658 -5.254 3.994 410 HB3 GLU 52 HB3 GLU 52 -10.052 -6.950 3.985 411 HG2 GLU 52 HG2 GLU 52 -9.155 -5.323 1.587 412 HG3 GLU 52 HG3 GLU 52 -8.152 -6.419 2.498 413 H GLU 53 H GLU 53 -12.221 -4.201 5.103 414 HA GLU 53 HA GLU 53 -13.199 -6.193 6.807 415 HB2 GLU 53 HB2 GLU 53 -14.252 -4.439 8.078 416 HB3 GLU 53 HB3 GLU 53 -12.637 -3.949 7.567 417 HG2 GLU 53 HG2 GLU 53 -13.595 -2.536 5.802 418 HG3 GLU 53 HG3 GLU 53 -15.223 -3.092 6.192 419 H PHE 54 H PHE 54 -14.774 -4.932 3.936 420 HA PHE 54 HA PHE 54 -17.452 -5.831 4.775 421 HB2 PHE 54 HB2 PHE 54 -16.493 -4.953 2.031 422 HB3 PHE 54 HB3 PHE 54 -18.156 -5.093 2.576 423 HD1 PHE 54 HD1 PHE 54 -18.273 -3.674 5.138 424 HD2 PHE 54 HD2 PHE 54 -16.076 -2.713 1.547 425 HE1 PHE 54 HE1 PHE 54 -18.276 -1.277 5.773 426 HE2 PHE 54 HE2 PHE 54 -16.105 -0.313 2.177 427 HZ PHE 54 HZ PHE 54 -17.190 0.409 4.298 428 H ALA 55 H ALA 55 -14.640 -7.325 3.470 429 HA ALA 55 HA ALA 55 -16.224 -9.492 2.171 430 HB1 ALA 55 HB1 ALA 55 -14.642 -9.406 0.282 431 HB2 ALA 55 HB2 ALA 55 -15.407 -7.826 0.491 432 HB3 ALA 55 HB3 ALA 55 -13.743 -8.087 1.073 433 H VAL 56 H VAL 56 -13.968 -8.894 4.558 434 HA VAL 56 HA VAL 56 -12.458 -11.301 4.198 435 HB VAL 56 HB VAL 56 -11.494 -9.378 5.234 436 HG11 VAL 56 HG11 VAL 56 -13.497 -8.495 6.457 437 HG12 VAL 56 HG12 VAL 56 -13.258 -9.758 7.672 438 HG13 VAL 56 HG13 VAL 56 -12.004 -8.538 7.410 439 HG21 VAL 56 HG21 VAL 56 -11.708 -11.714 7.154 440 HG22 VAL 56 HG22 VAL 56 -10.685 -11.641 5.710 441 HG23 VAL 56 HG23 VAL 56 -10.379 -10.530 7.068 442 H GLU 57 H GLU 57 -14.373 -12.526 3.686 443 HA GLU 57 HA GLU 57 -15.293 -14.127 5.974 444 HB2 GLU 57 HB2 GLU 57 -17.662 -13.771 5.309 445 HB3 GLU 57 HB3 GLU 57 -16.915 -12.357 6.007 446 HG2 GLU 57 HG2 GLU 57 -16.884 -11.155 4.018 447 HG3 GLU 57 HG3 GLU 57 -16.863 -12.583 3.002 448 H GLY 58 H GLY 58 -13.534 -14.548 3.647 449 HA2 GLY 58 HA2 GLY 58 -14.634 -16.972 2.535 450 HA3 GLY 58 HA3 GLY 58 -14.594 -15.651 1.359 451 HA PRO 59 HA PRO 59 -10.465 -17.872 1.704 452 HB2 PRO 59 HB2 PRO 59 -10.231 -18.783 -0.863 453 HB3 PRO 59 HB3 PRO 59 -11.148 -19.640 0.409 454 HG2 PRO 59 HG2 PRO 59 -12.230 -17.712 -1.682 455 HG3 PRO 59 HG3 PRO 59 -12.818 -19.352 -1.255 456 HD2 PRO 59 HD2 PRO 59 -13.974 -17.137 -0.236 457 HD3 PRO 59 HD3 PRO 59 -13.753 -18.617 0.757 458 H LEU 60 H LEU 60 -8.461 -17.479 0.381 459 HA LEU 60 HA LEU 60 -8.417 -14.938 -1.143 460 HB2 LEU 60 HB2 LEU 60 -7.568 -14.639 1.277 461 HB3 LEU 60 HB3 LEU 60 -6.311 -15.819 0.858 462 HG LEU 60 HG LEU 60 -5.450 -14.283 -0.900 463 HD11 LEU 60 HD11 LEU 60 -7.426 -12.972 -1.481 464 HD12 LEU 60 HD12 LEU 60 -7.573 -12.376 0.186 465 HD13 LEU 60 HD13 LEU 60 -6.211 -11.874 -0.833 466 HD21 LEU 60 HD21 LEU 60 -4.498 -14.258 1.370 467 HD22 LEU 60 HD22 LEU 60 -4.444 -12.650 0.629 468 HD23 LEU 60 HD23 LEU 60 -5.676 -13.015 1.859 469 H TRP 61 H TRP 61 -6.887 -15.003 -2.817 470 HA TRP 61 HA TRP 61 -5.617 -17.625 -3.407 471 HB2 TRP 61 HB2 TRP 61 -7.386 -15.833 -5.099 472 HB3 TRP 61 HB3 TRP 61 -6.611 -17.219 -5.754 473 HD1 TRP 61 HD1 TRP 61 -9.554 -16.128 -3.570 474 HE1 TRP 61 HE1 TRP 61 -11.253 -18.051 -3.414 475 HE3 TRP 61 HE3 TRP 61 -6.771 -19.818 -5.710 476 HZ2 TRP 61 HZ2 TRP 61 -11.337 -20.889 -4.025 477 HZ3 TRP 61 HZ3 TRP 61 -7.663 -22.144 -5.903 478 HH2 TRP 61 HH2 TRP 61 -9.941 -22.683 -5.059 479 H ILE 62 H ILE 62 -3.739 -17.386 -4.836 480 HA ILE 62 HA ILE 62 -2.757 -14.583 -5.146 481 HB ILE 62 HB ILE 62 -0.986 -16.848 -4.199 482 HG12 ILE 62 HG12 ILE 62 -2.649 -16.743 -2.405 483 HG13 ILE 62 HG13 ILE 62 -1.038 -16.278 -1.918 484 HG21 ILE 62 HG21 ILE 62 0.162 -14.917 -5.100 485 HG22 ILE 62 HG22 ILE 62 -0.767 -13.818 -4.061 486 HG23 ILE 62 HG23 ILE 62 0.413 -14.962 -3.358 487 HD11 ILE 62 HD11 ILE 62 -1.693 -13.881 -1.914 488 HD12 ILE 62 HD12 ILE 62 -3.340 -14.344 -2.384 489 HD13 ILE 62 HD13 ILE 62 -2.688 -14.866 -0.833 490 H GLN 63 H GLN 63 -1.618 -14.267 -7.051 491 HA GLN 63 HA GLN 63 -0.295 -16.590 -8.351 492 HB2 GLN 63 HB2 GLN 63 -2.427 -16.210 -9.567 493 HB3 GLN 63 HB3 GLN 63 -1.959 -14.529 -9.839 494 HG2 GLN 63 HG2 GLN 63 0.098 -15.371 -11.067 495 HG3 GLN 63 HG3 GLN 63 -0.542 -17.004 -10.911 496 HE21 GLN 63 HE22 GLN 63 -0.227 -14.581 -13.127 497 HE22 GLN 63 HE21 GLN 63 -1.680 -14.853 -14.072 498 H VAL 64 H VAL 64 1.640 -15.842 -7.464 499 HA VAL 64 HA VAL 64 2.743 -13.191 -7.987 500 HB VAL 64 HB VAL 64 3.453 -14.674 -6.118 501 HG11 VAL 64 HG11 VAL 64 4.968 -16.531 -6.455 502 HG12 VAL 64 HG12 VAL 64 3.485 -16.872 -7.353 503 HG13 VAL 64 HG13 VAL 64 4.939 -16.313 -8.215 504 HG21 VAL 64 HG21 VAL 64 4.964 -12.867 -6.822 505 HG22 VAL 64 HG22 VAL 64 5.871 -14.302 -6.333 506 HG23 VAL 64 HG23 VAL 64 5.709 -13.926 -8.037 507 H GLN 65 H GLN 65 4.266 -12.673 -9.773 508 HA GLN 65 HA GLN 65 5.520 -14.934 -11.024 509 HB2 GLN 65 HB2 GLN 65 5.326 -13.814 -13.293 510 HB3 GLN 65 HB3 GLN 65 3.953 -14.782 -12.783 511 HG2 GLN 65 HG2 GLN 65 4.003 -11.765 -12.388 512 HG3 GLN 65 HG3 GLN 65 3.579 -12.486 -13.923 513 HE21 GLN 65 HE22 GLN 65 2.392 -11.728 -10.771 514 HE22 GLN 65 HE21 GLN 65 0.863 -12.556 -10.918 515 H ALA 66 H ALA 66 7.534 -14.214 -11.916 516 HA ALA 66 HA ALA 66 8.492 -11.706 -10.596 517 HB1 ALA 66 HB1 ALA 66 10.064 -14.192 -11.373 518 HB2 ALA 66 HB2 ALA 66 10.696 -12.744 -10.560 519 HB3 ALA 66 HB3 ALA 66 9.515 -13.776 -9.732 520 H LEU 67 H LEU 67 9.673 -10.237 -11.694 521 HA LEU 67 HA LEU 67 9.795 -10.322 -14.661 522 HB2 LEU 67 HB2 LEU 67 8.882 -8.065 -12.801 523 HB3 LEU 67 HB3 LEU 67 9.080 -7.922 -14.525 524 HG LEU 67 HG LEU 67 7.391 -10.092 -14.451 525 HD11 LEU 67 HD11 LEU 67 6.618 -8.349 -12.123 526 HD12 LEU 67 HD12 LEU 67 5.618 -9.631 -12.859 527 HD13 LEU 67 HD13 LEU 67 7.123 -10.059 -12.062 528 HD21 LEU 67 HD21 LEU 67 5.541 -8.532 -14.889 529 HD22 LEU 67 HD22 LEU 67 6.518 -7.178 -14.276 530 HD23 LEU 67 HD23 LEU 67 6.997 -8.023 -15.773 531 H ASP 68 H ASP 68 11.115 -8.020 -15.159 532 HA ASP 68 HA ASP 68 13.704 -8.946 -14.783 533 HB2 ASP 68 HB2 ASP 68 12.905 -7.518 -16.648 534 HB3 ASP 68 HB3 ASP 68 12.922 -6.124 -15.565 535 H LYS 69 H LYS 69 12.082 -6.423 -12.846 536 HA LYS 69 HA LYS 69 14.361 -6.472 -10.939 537 HB2 LYS 69 HB2 LYS 69 13.104 -3.981 -12.086 538 HB3 LYS 69 HB3 LYS 69 14.224 -3.981 -10.730 539 HG2 LYS 69 HG2 LYS 69 14.915 -4.926 -13.522 540 HG3 LYS 69 HG3 LYS 69 15.286 -3.355 -12.857 541 HD2 LYS 69 HD2 LYS 69 16.681 -4.382 -11.088 542 HD3 LYS 69 HD3 LYS 69 16.360 -5.986 -11.714 543 HE2 LYS 69 HE2 LYS 69 17.666 -3.764 -13.351 544 HE3 LYS 69 HE3 LYS 69 18.563 -4.971 -12.423 545 HZ1 LYS 69 HZ1 LYS 69 16.727 -5.595 -14.685 546 HZ2 LYS 69 HZ2 LYS 69 18.363 -5.638 -14.727 547 HZ3 LYS 69 HZ3 LYS 69 17.539 -6.704 -13.793 548 H GLY 70 H GLY 70 11.546 -7.609 -10.925 549 HA2 GLY 70 HA2 GLY 70 10.736 -6.891 -8.281 550 HA3 GLY 70 HA3 GLY 70 9.801 -5.975 -9.450 551 H LEU 71 H LEU 71 8.119 -7.350 -8.302 552 HA LEU 71 HA LEU 71 7.501 -9.699 -10.041 553 HB2 LEU 71 HB2 LEU 71 6.918 -9.565 -7.058 554 HB3 LEU 71 HB3 LEU 71 6.461 -10.839 -8.164 555 HG LEU 71 HG LEU 71 9.248 -10.717 -8.526 556 HD11 LEU 71 HD11 LEU 71 9.372 -9.158 -6.579 557 HD12 LEU 71 HD12 LEU 71 8.605 -10.388 -5.560 558 HD13 LEU 71 HD13 LEU 71 10.208 -10.695 -6.267 559 HD21 LEU 71 HD21 LEU 71 7.942 -12.753 -8.423 560 HD22 LEU 71 HD22 LEU 71 9.264 -12.835 -7.239 561 HD23 LEU 71 HD23 LEU 71 7.594 -12.484 -6.722 562 H GLU 72 H GLU 72 5.391 -9.834 -10.608 563 HA GLU 72 HA GLU 72 3.454 -7.786 -9.612 564 HB2 GLU 72 HB2 GLU 72 3.437 -9.499 -12.123 565 HB3 GLU 72 HB3 GLU 72 1.933 -8.985 -11.374 566 HG2 GLU 72 HG2 GLU 72 2.668 -6.598 -11.550 567 HG3 GLU 72 HG3 GLU 72 4.040 -7.140 -12.514 568 H ILE 73 H ILE 73 1.712 -8.565 -8.411 569 HA ILE 73 HA ILE 73 1.384 -11.470 -8.284 570 HB ILE 73 HB ILE 73 1.242 -9.634 -5.869 571 HG12 ILE 73 HG12 ILE 73 3.516 -11.300 -6.902 572 HG13 ILE 73 HG13 ILE 73 3.573 -9.691 -6.170 573 HG21 ILE 73 HG21 ILE 73 -0.247 -11.650 -5.859 574 HG22 ILE 73 HG22 ILE 73 1.201 -12.674 -6.042 575 HG23 ILE 73 HG23 ILE 73 0.948 -11.676 -4.584 576 HD11 ILE 73 HD11 ILE 73 4.641 -11.150 -4.694 577 HD12 ILE 73 HD12 ILE 73 3.078 -10.733 -3.983 578 HD13 ILE 73 HD13 ILE 73 3.297 -12.325 -4.733 579 H ILE 74 H ILE 74 -0.706 -11.947 -8.787 580 HA ILE 74 HA ILE 74 -2.796 -9.826 -8.562 581 HB ILE 74 HB ILE 74 -2.800 -12.479 -10.071 582 HG12 ILE 74 HG12 ILE 74 -3.251 -11.070 -12.092 583 HG13 ILE 74 HG13 ILE 74 -2.931 -9.621 -11.156 584 HG21 ILE 74 HG21 ILE 74 -5.042 -11.753 -10.900 585 HG22 ILE 74 HG22 ILE 74 -5.033 -12.002 -9.163 586 HG23 ILE 74 HG23 ILE 74 -4.966 -10.344 -9.821 587 HD11 ILE 74 HD11 ILE 74 -0.567 -10.212 -11.005 588 HD12 ILE 74 HD12 ILE 74 -0.914 -11.838 -11.675 589 HD13 ILE 74 HD13 ILE 74 -1.089 -10.386 -12.677 590 H VAL 75 H VAL 75 -4.561 -10.294 -7.164 591 HA VAL 75 HA VAL 75 -4.269 -12.602 -5.385 592 HB VAL 75 HB VAL 75 -5.092 -10.008 -4.136 593 HG11 VAL 75 HG11 VAL 75 -3.928 -10.934 -2.206 594 HG12 VAL 75 HG12 VAL 75 -4.966 -12.185 -2.915 595 HG13 VAL 75 HG13 VAL 75 -3.212 -12.211 -3.218 596 HG21 VAL 75 HG21 VAL 75 -2.137 -10.505 -4.693 597 HG22 VAL 75 HG22 VAL 75 -3.112 -9.162 -5.333 598 HG23 VAL 75 HG23 VAL 75 -2.824 -9.276 -3.599 599 H THR 76 H THR 76 -6.335 -13.498 -4.935 600 HA THR 76 HA THR 76 -8.643 -12.107 -6.197 601 HB THR 76 HB THR 76 -8.767 -13.485 -7.861 602 HG1 THR 76 HG1 THR 76 -9.121 -15.612 -7.754 603 HG21 THR 76 HG21 THR 76 -6.323 -13.433 -8.026 604 HG22 THR 76 HG22 THR 76 -6.188 -14.852 -6.974 605 HG23 THR 76 HG23 THR 76 -6.950 -14.990 -8.572 606 H LYS 77 H LYS 77 -10.721 -13.044 -5.630 607 HA LYS 77 HA LYS 77 -10.926 -14.704 -3.227 608 HB2 LYS 77 HB2 LYS 77 -12.101 -11.899 -3.412 609 HB3 LYS 77 HB3 LYS 77 -12.582 -13.106 -2.234 610 HG2 LYS 77 HG2 LYS 77 -11.039 -12.389 -0.855 611 HG3 LYS 77 HG3 LYS 77 -9.851 -13.109 -1.856 612 HD2 LYS 77 HD2 LYS 77 -9.236 -10.806 -1.319 613 HD3 LYS 77 HD3 LYS 77 -9.456 -11.020 -3.066 614 HE2 LYS 77 HE2 LYS 77 -11.696 -9.985 -2.935 615 HE3 LYS 77 HE3 LYS 77 -11.566 -9.849 -1.173 616 HZ1 LYS 77 HZ1 LYS 77 -9.638 -8.515 -2.977 617 HZ2 LYS 77 HZ2 LYS 77 -11.055 -7.814 -2.590 618 HZ3 LYS 77 HZ3 LYS 77 -9.971 -8.148 -1.392 619 H ALA 78 H ALA 78 -13.249 -15.299 -2.925 620 HA ALA 78 HA ALA 78 -14.742 -15.801 -5.356 621 HB1 ALA 78 HB1 ALA 78 -16.524 -16.479 -3.781 622 HB2 ALA 78 HB2 ALA 78 -14.973 -17.201 -3.320 623 HB3 ALA 78 HB3 ALA 78 -15.603 -15.798 -2.422 624 H GLN 79 H GLN 79 -16.889 -14.807 -5.777 625 HA GLN 79 HA GLN 79 -16.893 -11.962 -5.749 626 HB2 GLN 79 HB2 GLN 79 -19.193 -12.138 -6.552 627 HB3 GLN 79 HB3 GLN 79 -18.141 -13.246 -7.416 628 HG2 GLN 79 HG2 GLN 79 -18.983 -15.100 -5.830 629 HG3 GLN 79 HG3 GLN 79 -20.205 -13.940 -5.293 630 HE21 GLN 79 HE22 GLN 79 -21.532 -12.890 -7.143 631 HE22 GLN 79 HE21 GLN 79 -21.865 -13.872 -8.560 632 H LEU 80 H LEU 80 -18.009 -10.445 -4.451 633 HA LEU 80 HA LEU 80 -18.401 -11.092 -1.698 634 HB2 LEU 80 HB2 LEU 80 -17.808 -8.842 -2.545 635 HB3 LEU 80 HB3 LEU 80 -19.375 -8.722 -3.350 636 HG LEU 80 HG LEU 80 -20.539 -8.738 -1.173 637 HD11 LEU 80 HD11 LEU 80 -19.244 -8.509 0.939 638 HD12 LEU 80 HD12 LEU 80 -19.013 -10.087 0.207 639 HD13 LEU 80 HD13 LEU 80 -17.743 -8.850 0.054 640 HD21 LEU 80 HD21 LEU 80 -19.786 -6.532 -0.389 641 HD22 LEU 80 HD22 LEU 80 -18.269 -6.711 -1.302 642 HD23 LEU 80 HD23 LEU 80 -19.825 -6.604 -2.157 643 H SER 81 H SER 81 -20.617 -10.993 -4.489 644 HA SER 81 HA SER 81 -23.043 -11.484 -3.009 645 HB2 SER 81 HB2 SER 81 -23.799 -11.945 -5.466 646 HB3 SER 81 HB3 SER 81 -23.299 -10.322 -4.983 647 HG SER 81 HG SER 81 -22.220 -10.679 -6.847 648 H LYS 82 H LYS 82 -21.165 -13.264 -2.061 649 HA LYS 82 HA LYS 82 -21.016 -15.827 -3.240 650 HB2 LYS 82 HB2 LYS 82 -19.632 -14.966 -1.369 651 HB3 LYS 82 HB3 LYS 82 -21.033 -15.044 -0.292 652 HG2 LYS 82 HG2 LYS 82 -21.090 -17.479 -0.468 653 HG3 LYS 82 HG3 LYS 82 -19.902 -17.457 -1.771 654 HD2 LYS 82 HD2 LYS 82 -18.827 -18.156 0.305 655 HD3 LYS 82 HD3 LYS 82 -18.162 -16.642 -0.279 656 HE2 LYS 82 HE2 LYS 82 -18.341 -16.443 2.083 657 HE3 LYS 82 HE3 LYS 82 -19.559 -15.383 1.388 658 HZ1 LYS 82 HZ1 LYS 82 -21.235 -17.099 1.912 659 HZ2 LYS 82 HZ2 LYS 82 -20.074 -18.085 2.528 660 HZ3 LYS 82 HZ3 LYS 82 -20.415 -16.663 3.251 661 H ASP 83 H ASP 83 -23.569 -14.279 -1.355 662 HA ASP 83 HA ASP 83 -25.415 -16.024 -2.691 663 HB2 ASP 83 HB2 ASP 83 -25.105 -16.952 -0.255 664 HB3 ASP 83 HB3 ASP 83 -26.035 -15.530 0.228 665 H LEU 84 H LEU 84 -27.731 -14.833 -2.121 666 HA LEU 84 HA LEU 84 -27.499 -11.986 -1.707 667 HB2 LEU 84 HB2 LEU 84 -26.773 -12.105 -4.074 668 HB3 LEU 84 HB3 LEU 84 -28.229 -13.010 -4.490 669 HG LEU 84 HG LEU 84 -29.634 -11.045 -3.908 670 HD11 LEU 84 HD11 LEU 84 -26.975 -9.622 -3.406 671 HD12 LEU 84 HD12 LEU 84 -28.556 -8.822 -3.541 672 HD13 LEU 84 HD13 LEU 84 -28.253 -9.931 -2.201 673 HD21 LEU 84 HD21 LEU 84 -28.974 -9.636 -5.804 674 HD22 LEU 84 HD22 LEU 84 -27.368 -10.395 -5.841 675 HD23 LEU 84 HD23 LEU 84 -28.823 -11.352 -6.210 676 H ASP 85 H ASP 85 -29.500 -14.749 -2.934 677 HA ASP 85 HA ASP 85 -32.021 -13.528 -2.299 678 HB2 ASP 85 HB2 ASP 85 -31.756 -15.432 -3.873 679 HB3 ASP 85 HB3 ASP 85 -31.298 -16.473 -2.520 680 H LYS 86 H LYS 86 -29.708 -15.496 -0.403 681 HA LYS 86 HA LYS 86 -31.576 -15.582 1.900 682 HB2 LYS 86 HB2 LYS 86 -28.874 -16.905 1.646 683 HB3 LYS 86 HB3 LYS 86 -30.099 -17.146 2.893 684 HG2 LYS 86 HG2 LYS 86 -30.127 -17.986 -0.007 685 HG3 LYS 86 HG3 LYS 86 -30.219 -18.964 1.463 686 HD2 LYS 86 HD2 LYS 86 -32.506 -18.158 1.902 687 HD3 LYS 86 HD3 LYS 86 -32.431 -17.156 0.428 688 HE2 LYS 86 HE2 LYS 86 -31.830 -19.265 -0.852 689 HE3 LYS 86 HE3 LYS 86 -32.205 -20.173 0.620 690 HZ1 LYS 86 HZ1 LYS 86 -34.036 -18.416 -0.940 691 HZ2 LYS 86 HZ2 LYS 86 -34.112 -20.056 -0.904 692 HZ3 LYS 86 HZ3 LYS 86 -34.489 -19.204 0.446 693 H LEU 87 H LEU 87 -30.667 -12.988 1.170 694 HA LEU 87 HA LEU 87 -28.611 -12.017 2.885 695 HB2 LEU 87 HB2 LEU 87 -29.305 -9.898 2.513 696 HB3 LEU 87 HB3 LEU 87 -29.484 -10.764 1.022 697 HG LEU 87 HG LEU 87 -31.179 -9.278 1.173 698 HD11 LEU 87 HD11 LEU 87 -32.492 -11.896 1.963 699 HD12 LEU 87 HD12 LEU 87 -33.255 -10.565 1.066 700 HD13 LEU 87 HD13 LEU 87 -31.910 -11.461 0.339 701 HD21 LEU 87 HD21 LEU 87 -31.102 -8.903 3.660 702 HD22 LEU 87 HD22 LEU 87 -32.711 -8.831 2.919 703 HD23 LEU 87 HD23 LEU 87 -32.237 -10.269 3.832 704 H VAL 88 H VAL 88 -28.913 -10.733 4.859 705 HA VAL 88 HA VAL 88 -31.283 -11.323 6.494 706 HB VAL 88 HB VAL 88 -29.909 -11.922 8.437 707 HG11 VAL 88 HG11 VAL 88 -30.862 -13.730 7.020 708 HG12 VAL 88 HG12 VAL 88 -29.318 -13.831 6.148 709 HG13 VAL 88 HG13 VAL 88 -29.386 -14.201 7.879 710 HG21 VAL 88 HG21 VAL 88 -27.564 -12.555 8.239 711 HG22 VAL 88 HG22 VAL 88 -27.538 -12.034 6.541 712 HG23 VAL 88 HG23 VAL 88 -27.803 -10.848 7.843 713 HA PRO 89 HA PRO 89 -30.867 -7.079 7.706 714 HB2 PRO 89 HB2 PRO 89 -30.991 -7.991 10.579 715 HB3 PRO 89 HB3 PRO 89 -31.952 -6.732 9.743 716 HG2 PRO 89 HG2 PRO 89 -33.020 -9.165 10.279 717 HG3 PRO 89 HG3 PRO 89 -33.354 -8.336 8.726 718 HD2 PRO 89 HD2 PRO 89 -31.424 -10.579 9.252 719 HD3 PRO 89 HD3 PRO 89 -32.483 -10.297 7.860 720 H ARG 90 H ARG 90 -29.469 -5.533 8.753 721 HA ARG 90 HA ARG 90 -26.685 -6.300 9.074 722 HB2 ARG 90 HB2 ARG 90 -28.150 -3.707 9.716 723 HB3 ARG 90 HB3 ARG 90 -26.416 -3.974 9.906 724 HG2 ARG 90 HG2 ARG 90 -26.274 -4.563 7.455 725 HG3 ARG 90 HG3 ARG 90 -27.969 -4.065 7.288 726 HD2 ARG 90 HD2 ARG 90 -27.386 -1.812 8.130 727 HD3 ARG 90 HD3 ARG 90 -25.701 -2.313 8.312 728 HE ARG 90 HE ARG 90 -27.169 -1.667 5.849 729 HH11 ARG 90 HH11 ARG 90 -24.151 -3.047 7.151 730 HH12 ARG 90 HH12 ARG 90 -23.272 -2.863 5.674 731 HH21 ARG 90 HH21 ARG 90 -25.998 -1.422 3.896 732 HH22 ARG 90 HH22 ARG 90 -24.344 -1.910 3.794 Start of MODEL 4 1 H1 MET 1 H1 MET 1 6.057 1.340 -4.490 2 H2 MET 1 H2 MET 1 5.172 1.106 -3.142 3 H3 MET 1 H3 MET 1 6.614 0.326 -3.317 4 HA MET 1 HA MET 1 5.741 -0.817 -5.279 5 HB2 MET 1 HB2 MET 1 4.379 -2.488 -4.155 6 HB3 MET 1 HB3 MET 1 5.806 -2.094 -3.228 7 HG2 MET 1 HG2 MET 1 4.412 -0.648 -1.740 8 HG3 MET 1 HG3 MET 1 2.984 -1.123 -2.642 9 HE1 MET 1 HE1 MET 1 2.855 -4.980 -1.715 10 HE2 MET 1 HE2 MET 1 2.393 -3.734 -2.897 11 HE3 MET 1 HE3 MET 1 4.029 -4.433 -2.936 12 H GLU 2 H GLU 2 3.691 -1.704 -6.277 13 HA GLU 2 HA GLU 2 2.234 0.755 -7.128 14 HB2 GLU 2 HB2 GLU 2 4.137 -1.211 -8.352 15 HB3 GLU 2 HB3 GLU 2 2.790 -0.811 -9.369 16 HG2 GLU 2 HG2 GLU 2 4.682 0.640 -9.832 17 HG3 GLU 2 HG3 GLU 2 3.306 1.566 -9.244 18 H ILE 3 H ILE 3 0.365 0.088 -5.862 19 HA ILE 3 HA ILE 3 -0.878 -2.519 -6.330 20 HB ILE 3 HB ILE 3 -1.568 -0.075 -4.652 21 HG12 ILE 3 HG12 ILE 3 -1.464 -1.705 -2.777 22 HG13 ILE 3 HG13 ILE 3 -1.060 -2.993 -3.885 23 HG21 ILE 3 HG21 ILE 3 -3.759 -0.875 -5.367 24 HG22 ILE 3 HG22 ILE 3 -3.326 -2.552 -4.938 25 HG23 ILE 3 HG23 ILE 3 -3.495 -1.306 -3.686 26 HD11 ILE 3 HD11 ILE 3 0.655 -0.518 -3.427 27 HD12 ILE 3 HD12 ILE 3 0.822 -2.034 -2.526 28 HD13 ILE 3 HD13 ILE 3 1.133 -2.017 -4.271 29 H GLU 4 H GLU 4 -2.901 -2.901 -7.282 30 HA GLU 4 HA GLU 4 -4.212 -0.770 -8.852 31 HB2 GLU 4 HB2 GLU 4 -2.789 -2.194 -10.325 32 HB3 GLU 4 HB3 GLU 4 -3.560 -3.625 -9.661 33 HG2 GLU 4 HG2 GLU 4 -4.425 -3.050 -11.811 34 HG3 GLU 4 HG3 GLU 4 -5.701 -2.964 -10.612 35 H ARG 5 H ARG 5 -6.504 -1.256 -9.097 36 HA ARG 5 HA ARG 5 -7.658 -3.273 -7.199 37 HB2 ARG 5 HB2 ARG 5 -7.773 -0.867 -6.322 38 HB3 ARG 5 HB3 ARG 5 -8.741 -0.465 -7.722 39 HG2 ARG 5 HG2 ARG 5 -10.342 -0.851 -6.078 40 HG3 ARG 5 HG3 ARG 5 -10.344 -2.356 -6.979 41 HD2 ARG 5 HD2 ARG 5 -10.404 -3.076 -4.778 42 HD3 ARG 5 HD3 ARG 5 -8.693 -3.222 -5.124 43 HE ARG 5 HE ARG 5 -10.109 -1.321 -3.358 44 HH11 ARG 5 HH11 ARG 5 -6.794 -2.179 -4.618 45 HH12 ARG 5 HH12 ARG 5 -6.064 -1.253 -3.317 46 HH21 ARG 5 HH21 ARG 5 -8.955 -0.161 -1.799 47 HH22 ARG 5 HH22 ARG 5 -7.178 -0.193 -1.836 48 H ILE 6 H ILE 6 -7.917 -4.787 -8.957 49 HA ILE 6 HA ILE 6 -8.735 -4.076 -11.584 50 HB ILE 6 HB ILE 6 -9.064 -6.684 -10.059 51 HG12 ILE 6 HG12 ILE 6 -6.746 -6.081 -9.933 52 HG13 ILE 6 HG13 ILE 6 -6.958 -7.370 -11.073 53 HG21 ILE 6 HG21 ILE 6 -9.049 -6.171 -13.047 54 HG22 ILE 6 HG22 ILE 6 -9.013 -7.772 -12.270 55 HG23 ILE 6 HG23 ILE 6 -10.419 -6.722 -12.056 56 HD11 ILE 6 HD11 ILE 6 -6.635 -4.473 -11.878 57 HD12 ILE 6 HD12 ILE 6 -5.327 -5.664 -11.868 58 HD13 ILE 6 HD13 ILE 6 -6.708 -5.871 -12.969 59 H ASN 7 H ASN 7 -10.425 -5.438 -8.809 60 HA ASN 7 HA ASN 7 -12.820 -3.893 -9.197 61 HB2 ASN 7 HB2 ASN 7 -14.397 -5.612 -9.636 62 HB3 ASN 7 HB3 ASN 7 -13.178 -5.753 -10.859 63 HD21 ASN 7 HD22 ASN 7 -14.585 -7.915 -10.871 64 HD22 ASN 7 HD21 ASN 7 -13.846 -9.225 -9.977 65 H GLU 8 H GLU 8 -14.460 -5.443 -7.410 66 HA GLU 8 HA GLU 8 -13.207 -4.678 -4.957 67 HB2 GLU 8 HB2 GLU 8 -15.607 -4.524 -5.566 68 HB3 GLU 8 HB3 GLU 8 -15.761 -6.279 -5.476 69 HG2 GLU 8 HG2 GLU 8 -15.550 -6.296 -3.127 70 HG3 GLU 8 HG3 GLU 8 -14.680 -4.762 -3.108 71 H HIS 9 H HIS 9 -12.761 -7.524 -6.712 72 HA HIS 9 HA HIS 9 -12.431 -9.245 -4.269 73 HB2 HIS 9 HB2 HIS 9 -13.465 -10.011 -7.019 74 HB3 HIS 9 HB3 HIS 9 -13.294 -11.072 -5.632 75 HD1 HIS 9 HD1 HIS 9 -15.931 -9.291 -7.323 76 HD2 HIS 9 HD2 HIS 9 -14.758 -9.697 -3.286 77 HE1 HIS 9 HE1 HIS 9 -17.954 -8.650 -5.906 78 H THR 10 H THR 10 -11.274 -8.709 -7.626 79 HA THR 10 HA THR 10 -8.726 -10.071 -6.942 80 HB THR 10 HB THR 10 -9.642 -8.754 -9.522 81 HG1 THR 10 HG1 THR 10 -10.138 -10.845 -10.188 82 HG21 THR 10 HG21 THR 10 -7.173 -8.860 -9.336 83 HG22 THR 10 HG22 THR 10 -7.256 -10.571 -8.939 84 HG23 THR 10 HG23 THR 10 -7.751 -9.992 -10.555 85 H VAL 11 H VAL 11 -6.968 -8.924 -6.447 86 HA VAL 11 HA VAL 11 -6.798 -6.074 -7.200 87 HB VAL 11 HB VAL 11 -5.749 -5.455 -5.118 88 HG11 VAL 11 HG11 VAL 11 -7.660 -5.361 -3.670 89 HG12 VAL 11 HG12 VAL 11 -8.291 -5.367 -5.332 90 HG13 VAL 11 HG13 VAL 11 -8.357 -6.842 -4.358 91 HG21 VAL 11 HG21 VAL 11 -4.739 -7.568 -4.389 92 HG22 VAL 11 HG22 VAL 11 -5.763 -6.912 -3.107 93 HG23 VAL 11 HG23 VAL 11 -6.355 -8.260 -4.099 94 H LYS 12 H LYS 12 -4.448 -5.529 -7.592 95 HA LYS 12 HA LYS 12 -2.647 -7.779 -7.261 96 HB2 LYS 12 HB2 LYS 12 -1.851 -8.000 -9.412 97 HB3 LYS 12 HB3 LYS 12 -3.601 -8.047 -9.625 98 HG2 LYS 12 HG2 LYS 12 -3.600 -5.756 -10.423 99 HG3 LYS 12 HG3 LYS 12 -1.842 -5.647 -10.189 100 HD2 LYS 12 HD2 LYS 12 -1.597 -7.663 -11.721 101 HD3 LYS 12 HD3 LYS 12 -3.325 -7.491 -12.134 102 HE2 LYS 12 HE2 LYS 12 -2.937 -5.269 -13.040 103 HE3 LYS 12 HE3 LYS 12 -1.332 -5.226 -12.273 104 HZ1 LYS 12 HZ1 LYS 12 -1.996 -7.081 -14.486 105 HZ2 LYS 12 HZ2 LYS 12 -1.238 -5.647 -14.688 106 HZ3 LYS 12 HZ3 LYS 12 -0.506 -6.812 -13.803 107 H PHE 13 H PHE 13 -0.369 -7.038 -7.720 108 HA PHE 13 HA PHE 13 -0.031 -4.168 -7.852 109 HB2 PHE 13 HB2 PHE 13 1.253 -3.985 -5.765 110 HB3 PHE 13 HB3 PHE 13 -0.413 -4.435 -5.462 111 HD1 PHE 13 HD2 PHE 13 -1.029 -6.806 -4.889 112 HD2 PHE 13 HD1 PHE 13 3.041 -5.411 -5.020 113 HE1 PHE 13 HE2 PHE 13 -0.381 -8.580 -3.277 114 HE2 PHE 13 HE1 PHE 13 3.698 -7.219 -3.447 115 HZ PHE 13 HZ PHE 13 1.956 -8.731 -2.483 116 H TYR 14 H TYR 14 2.266 -3.619 -8.059 117 HA TYR 14 HA TYR 14 4.017 -5.898 -8.833 118 HB2 TYR 14 HB2 TYR 14 3.493 -4.605 -10.777 119 HB3 TYR 14 HB3 TYR 14 3.711 -3.094 -9.933 120 HD1 TYR 14 HD1 TYR 14 5.477 -6.174 -11.014 121 HD2 TYR 14 HD2 TYR 14 5.862 -2.092 -9.742 122 HE1 TYR 14 HE1 TYR 14 7.848 -6.291 -11.572 123 HE2 TYR 14 HE2 TYR 14 8.315 -2.161 -10.290 124 HH TYR 14 HH TYR 14 9.874 -5.038 -11.798 125 H MET 15 H MET 15 5.983 -5.926 -7.830 126 HA MET 15 HA MET 15 6.602 -3.840 -5.794 127 HB2 MET 15 HB2 MET 15 5.424 -5.950 -4.898 128 HB3 MET 15 HB3 MET 15 6.852 -6.840 -5.420 129 HG2 MET 15 HG2 MET 15 8.240 -5.567 -3.944 130 HG3 MET 15 HG3 MET 15 6.897 -4.509 -3.542 131 HE1 MET 15 HE1 MET 15 7.710 -4.914 -1.106 132 HE2 MET 15 HE2 MET 15 5.941 -4.723 -1.176 133 HE3 MET 15 HE3 MET 15 6.645 -5.981 -0.135 134 H SER 16 H SER 16 8.471 -2.987 -6.620 135 HA SER 16 HA SER 16 10.391 -4.501 -8.154 136 HB2 SER 16 HB2 SER 16 10.994 -1.983 -6.603 137 HB3 SER 16 HB3 SER 16 11.687 -2.519 -8.142 138 HG SER 16 HG SER 16 10.163 -0.804 -8.410 139 H TYR 17 H TYR 17 12.486 -5.223 -7.418 140 HA TYR 17 HA TYR 17 12.677 -6.488 -4.942 141 HB2 TYR 17 HB2 TYR 17 14.951 -5.305 -6.560 142 HB3 TYR 17 HB3 TYR 17 15.119 -6.512 -5.291 143 HD1 TYR 17 HD2 TYR 17 12.530 -8.151 -6.225 144 HD2 TYR 17 HD1 TYR 17 16.071 -6.649 -8.197 145 HE1 TYR 17 HE2 TYR 17 12.384 -9.959 -7.840 146 HE2 TYR 17 HE1 TYR 17 15.910 -8.462 -9.858 147 HH TYR 17 HH TYR 17 13.324 -10.968 -9.782 148 H GLY 18 H GLY 18 13.643 -3.115 -5.691 149 HA2 GLY 18 HA2 GLY 18 14.994 -2.638 -3.278 150 HA3 GLY 18 HA3 GLY 18 14.243 -1.432 -4.297 151 H ASP 19 H ASP 19 11.468 -2.748 -3.862 152 HA ASP 19 HA ASP 19 10.724 -1.256 -1.474 153 HB2 ASP 19 HB2 ASP 19 9.304 -1.913 -3.614 154 HB3 ASP 19 HB3 ASP 19 9.027 -3.414 -2.769 155 H ILE 20 H ILE 20 11.392 -4.610 -2.317 156 HA ILE 20 HA ILE 20 10.577 -5.798 0.198 157 HB ILE 20 HB ILE 20 12.102 -6.755 -2.269 158 HG12 ILE 20 HG12 ILE 20 9.367 -7.689 -1.355 159 HG13 ILE 20 HG13 ILE 20 9.521 -6.158 -2.192 160 HG21 ILE 20 HG21 ILE 20 11.142 -8.480 0.036 161 HG22 ILE 20 HG22 ILE 20 11.856 -9.038 -1.488 162 HG23 ILE 20 HG23 ILE 20 12.838 -8.098 -0.348 163 HD11 ILE 20 HD11 ILE 20 8.927 -7.822 -3.792 164 HD12 ILE 20 HD12 ILE 20 10.554 -7.238 -4.136 165 HD13 ILE 20 HD13 ILE 20 10.330 -8.833 -3.355 166 H GLU 21 H GLU 21 13.674 -4.828 -1.330 167 HA GLU 21 HA GLU 21 15.494 -5.497 0.709 168 HB2 GLU 21 HB2 GLU 21 15.431 -3.200 -1.253 169 HB3 GLU 21 HB3 GLU 21 16.814 -3.528 -0.246 170 HG2 GLU 21 HG2 GLU 21 15.722 -5.765 -1.974 171 HG3 GLU 21 HG3 GLU 21 16.589 -4.431 -2.680 172 H ASP 22 H ASP 22 13.518 -2.538 0.255 173 HA ASP 22 HA ASP 22 14.663 -0.974 2.308 174 HB2 ASP 22 HB2 ASP 22 13.074 -0.146 0.564 175 HB3 ASP 22 HB3 ASP 22 11.765 -0.959 1.393 176 H ARG 23 H ARG 23 11.936 -3.189 2.351 177 HA ARG 23 HA ARG 23 11.288 -2.920 5.161 178 HB2 ARG 23 HB2 ARG 23 10.721 -5.147 3.158 179 HB3 ARG 23 HB3 ARG 23 9.954 -4.989 4.750 180 HG2 ARG 23 HG2 ARG 23 8.722 -3.099 4.145 181 HG3 ARG 23 HG3 ARG 23 9.734 -2.744 2.751 182 HD2 ARG 23 HD2 ARG 23 8.980 -4.865 1.663 183 HD3 ARG 23 HD3 ARG 23 7.788 -5.093 2.937 184 HE ARG 23 HE ARG 23 7.784 -3.210 0.700 185 HH11 ARG 23 HH11 ARG 23 6.422 -3.523 3.997 186 HH12 ARG 23 HH12 ARG 23 5.262 -2.258 3.742 187 HH21 ARG 23 HH21 ARG 23 6.336 -1.721 0.366 188 HH22 ARG 23 HH22 ARG 23 5.170 -1.193 1.580 189 H GLY 24 H GLY 24 13.967 -4.324 3.569 190 HA2 GLY 24 HA2 GLY 24 15.747 -5.483 4.382 191 HA3 GLY 24 HA3 GLY 24 14.967 -5.583 5.961 192 H PHE 25 H PHE 25 13.042 -6.675 3.305 193 HA PHE 25 HA PHE 25 13.438 -9.547 3.972 194 HB2 PHE 25 HB2 PHE 25 11.409 -8.096 2.230 195 HB3 PHE 25 HB3 PHE 25 11.523 -9.848 2.366 196 HD1 PHE 25 HD1 PHE 25 11.222 -6.831 4.570 197 HD2 PHE 25 HD2 PHE 25 9.963 -10.901 3.907 198 HE1 PHE 25 HE1 PHE 25 9.855 -6.712 6.588 199 HE2 PHE 25 HE2 PHE 25 8.613 -10.780 5.938 200 HZ PHE 25 HZ PHE 25 8.527 -8.706 7.308 201 H ASP 26 H ASP 26 13.192 -10.727 1.474 202 HA ASP 26 HA ASP 26 15.212 -9.503 -0.316 203 HB2 ASP 26 HB2 ASP 26 16.196 -11.281 1.450 204 HB3 ASP 26 HB3 ASP 26 15.406 -12.409 0.401 205 H ARG 27 H ARG 27 14.870 -10.247 -2.511 206 HA ARG 27 HA ARG 27 12.247 -11.072 -3.178 207 HB2 ARG 27 HB2 ARG 27 13.065 -11.406 -5.436 208 HB3 ARG 27 HB3 ARG 27 13.782 -9.943 -4.755 209 HG2 ARG 27 HG2 ARG 27 15.897 -11.184 -4.321 210 HG3 ARG 27 HG3 ARG 27 15.173 -12.644 -5.026 211 HD2 ARG 27 HD2 ARG 27 14.918 -11.520 -7.178 212 HD3 ARG 27 HD3 ARG 27 15.632 -10.029 -6.506 213 HE ARG 27 HE ARG 27 17.556 -11.815 -5.934 214 HH11 ARG 27 HH12 ARG 27 15.901 -11.175 -9.045 215 HH12 ARG 27 HH11 ARG 27 17.241 -11.701 -9.998 216 HH21 ARG 27 HH21 ARG 27 19.309 -12.510 -7.227 217 HH22 ARG 27 HH22 ARG 27 19.216 -12.450 -8.946 218 H GLU 28 H GLU 28 15.133 -13.043 -2.413 219 HA GLU 28 HA GLU 28 13.792 -15.521 -3.243 220 HB2 GLU 28 HB2 GLU 28 16.364 -14.981 -1.741 221 HB3 GLU 28 HB3 GLU 28 15.783 -16.584 -2.139 222 HG2 GLU 28 HG2 GLU 28 15.738 -15.905 -4.579 223 HG3 GLU 28 HG3 GLU 28 16.541 -14.406 -4.117 224 H GLU 29 H GLU 29 14.474 -13.761 -0.214 225 HA GLU 29 HA GLU 29 13.701 -15.858 1.544 226 HB2 GLU 29 HB2 GLU 29 13.854 -12.827 1.822 227 HB3 GLU 29 HB3 GLU 29 13.483 -13.795 3.188 228 HG2 GLU 29 HG2 GLU 29 15.999 -14.386 1.604 229 HG3 GLU 29 HG3 GLU 29 15.899 -13.101 2.790 230 H ILE 30 H ILE 30 11.918 -13.254 0.075 231 HA ILE 30 HA ILE 30 9.331 -13.651 1.207 232 HB ILE 30 HB ILE 30 10.243 -12.798 -1.550 233 HG12 ILE 30 HG12 ILE 30 10.700 -11.391 0.609 234 HG13 ILE 30 HG13 ILE 30 10.192 -10.686 -0.902 235 HG21 ILE 30 HG21 ILE 30 8.003 -13.567 -1.952 236 HG22 ILE 30 HG22 ILE 30 7.387 -12.714 -0.522 237 HG23 ILE 30 HG23 ILE 30 7.996 -11.802 -1.929 238 HD11 ILE 30 HD11 ILE 30 9.107 -9.683 1.142 239 HD12 ILE 30 HD12 ILE 30 7.918 -10.314 0.005 240 HD13 ILE 30 HD13 ILE 30 8.335 -11.246 1.469 241 H TRP 31 H TRP 31 10.932 -15.403 -1.545 242 HA TRP 31 HA TRP 31 8.618 -17.075 -2.029 243 HB2 TRP 31 HB2 TRP 31 11.509 -17.634 -2.703 244 HB3 TRP 31 HB3 TRP 31 10.118 -18.484 -3.323 245 HD1 TRP 31 HD1 TRP 31 12.495 -16.638 -4.791 246 HE1 TRP 31 HE1 TRP 31 11.743 -15.139 -6.713 247 HE3 TRP 31 HE3 TRP 31 7.477 -16.433 -3.737 248 HZ2 TRP 31 HZ2 TRP 31 9.252 -14.049 -7.722 249 HZ3 TRP 31 HZ3 TRP 31 5.949 -15.216 -5.220 250 HH2 TRP 31 HH2 TRP 31 6.801 -14.064 -7.260 251 H TYR 32 H TYR 32 11.292 -17.286 0.252 252 HA TYR 32 HA TYR 32 10.799 -20.190 0.586 253 HB2 TYR 32 HB2 TYR 32 13.303 -18.502 0.896 254 HB3 TYR 32 HB3 TYR 32 13.243 -20.244 1.056 255 HD1 TYR 32 HD1 TYR 32 11.507 -21.080 -1.234 256 HD2 TYR 32 HD2 TYR 32 14.707 -18.209 -0.957 257 HE1 TYR 32 HE1 TYR 32 11.900 -21.298 -3.646 258 HE2 TYR 32 HE2 TYR 32 15.090 -18.379 -3.376 259 HH TYR 32 HH TYR 32 14.468 -19.445 -5.390 260 H ASN 33 H ASN 33 9.902 -17.653 2.422 261 HA ASN 33 HA ASN 33 10.359 -19.144 4.976 262 HB2 ASN 33 HB2 ASN 33 10.457 -16.171 4.372 263 HB3 ASN 33 HB3 ASN 33 10.341 -16.842 5.989 264 HD21 ASN 33 HD22 ASN 33 12.357 -16.412 3.212 265 HD22 ASN 33 HD21 ASN 33 13.899 -16.808 3.970 266 H ARG 34 H ARG 34 8.351 -20.098 5.076 267 HA ARG 34 HA ARG 34 6.012 -19.287 3.844 268 HB2 ARG 34 HB2 ARG 34 6.480 -21.524 4.602 269 HB3 ARG 34 HB3 ARG 34 6.419 -21.031 6.306 270 HG2 ARG 34 HG2 ARG 34 4.093 -20.687 6.265 271 HG3 ARG 34 HG3 ARG 34 4.037 -20.538 4.508 272 HD2 ARG 34 HD2 ARG 34 3.081 -22.634 5.019 273 HD3 ARG 34 HD3 ARG 34 4.645 -22.959 4.300 274 HE ARG 34 HE ARG 34 5.457 -23.811 6.285 275 HH11 ARG 34 HH11 ARG 34 2.244 -22.412 6.924 276 HH12 ARG 34 HH12 ARG 34 2.101 -23.113 8.495 277 HH21 ARG 34 HH21 ARG 34 5.261 -24.739 8.374 278 HH22 ARG 34 HH22 ARG 34 3.851 -24.473 9.328 279 H GLU 35 H GLU 35 7.184 -17.992 6.913 280 HA GLU 35 HA GLU 35 4.533 -16.763 7.348 281 HB2 GLU 35 HB2 GLU 35 5.250 -16.324 9.585 282 HB3 GLU 35 HB3 GLU 35 5.481 -18.027 9.244 283 HG2 GLU 35 HG2 GLU 35 7.707 -15.928 9.271 284 HG3 GLU 35 HG3 GLU 35 7.274 -16.951 10.620 285 H ARG 36 H ARG 36 7.884 -15.970 6.454 286 HA ARG 36 HA ARG 36 7.448 -13.104 6.915 287 HB2 ARG 36 HB2 ARG 36 9.747 -14.590 5.653 288 HB3 ARG 36 HB3 ARG 36 9.656 -12.878 5.883 289 HG2 ARG 36 HG2 ARG 36 9.882 -15.027 8.008 290 HG3 ARG 36 HG3 ARG 36 10.962 -13.674 7.674 291 HD2 ARG 36 HD2 ARG 36 9.211 -12.084 8.491 292 HD3 ARG 36 HD3 ARG 36 8.184 -13.477 8.902 293 HE ARG 36 HE ARG 36 10.815 -13.640 10.091 294 HH11 ARG 36 HH21 ARG 36 7.563 -12.170 10.529 295 HH12 ARG 36 HH22 ARG 36 7.749 -12.015 12.238 296 HH21 ARG 36 HH11 ARG 36 11.009 -13.423 12.371 297 HH22 ARG 36 HH12 ARG 36 9.725 -12.746 13.308 298 H SER 37 H SER 37 6.837 -15.414 4.399 299 HA SER 37 HA SER 37 6.734 -13.634 2.174 300 HB2 SER 37 HB2 SER 37 5.049 -15.378 1.366 301 HB3 SER 37 HB3 SER 37 6.628 -16.022 1.857 302 HG SER 37 HG SER 37 4.786 -17.192 2.700 303 H GLU 38 H GLU 38 4.291 -14.746 4.534 304 HA GLU 38 HA GLU 38 2.088 -13.463 3.657 305 HB2 GLU 38 HB2 GLU 38 2.602 -15.236 5.547 306 HB3 GLU 38 HB3 GLU 38 2.521 -13.820 6.613 307 HG2 GLU 38 HG2 GLU 38 0.288 -13.296 5.622 308 HG3 GLU 38 HG3 GLU 38 0.389 -14.752 4.642 309 H GLU 39 H GLU 39 4.640 -11.919 5.608 310 HA GLU 39 HA GLU 39 3.198 -9.759 6.667 311 HB2 GLU 39 HB2 GLU 39 6.031 -9.475 5.649 312 HB3 GLU 39 HB3 GLU 39 5.337 -8.832 7.123 313 HG2 GLU 39 HG2 GLU 39 6.040 -11.726 6.643 314 HG3 GLU 39 HG3 GLU 39 7.042 -10.566 7.395 315 H LEU 40 H LEU 40 4.573 -10.299 3.496 316 HA LEU 40 HA LEU 40 4.411 -7.677 2.392 317 HB2 LEU 40 HB2 LEU 40 5.609 -9.698 1.453 318 HB3 LEU 40 HB3 LEU 40 4.049 -10.361 1.047 319 HG LEU 40 HG LEU 40 5.757 -8.532 -0.417 320 HD11 LEU 40 HD11 LEU 40 3.267 -10.060 -1.201 321 HD12 LEU 40 HD12 LEU 40 4.456 -9.308 -2.307 322 HD13 LEU 40 HD13 LEU 40 4.935 -10.644 -1.255 323 HD21 LEU 40 HD21 LEU 40 4.211 -6.734 0.377 324 HD22 LEU 40 HD22 LEU 40 4.203 -6.979 -1.353 325 HD23 LEU 40 HD23 LEU 40 2.859 -7.610 -0.412 326 H PHE 41 H PHE 41 2.159 -10.432 2.405 327 HA PHE 41 HA PHE 41 0.099 -9.122 0.908 328 HB2 PHE 41 HB2 PHE 41 -0.049 -11.582 2.703 329 HB3 PHE 41 HB3 PHE 41 -1.218 -11.106 1.479 330 HD1 PHE 41 HD1 PHE 41 2.296 -12.200 2.010 331 HD2 PHE 41 HD2 PHE 41 -0.798 -11.494 -0.896 332 HE1 PHE 41 HE1 PHE 41 3.707 -13.276 0.266 333 HE2 PHE 41 HE2 PHE 41 0.605 -12.560 -2.637 334 HZ PHE 41 HZ PHE 41 2.860 -13.458 -2.066 335 H TRP 42 H TRP 42 0.792 -9.524 4.399 336 HA TRP 42 HA TRP 42 -1.633 -8.309 5.276 337 HB2 TRP 42 HB2 TRP 42 1.105 -8.696 6.489 338 HB3 TRP 42 HB3 TRP 42 -0.090 -7.712 7.314 339 HD1 TRP 42 HD1 TRP 42 0.909 -11.248 6.921 340 HE1 TRP 42 HE1 TRP 42 -0.820 -12.855 7.857 341 HE3 TRP 42 HE3 TRP 42 -2.973 -7.954 7.491 342 HZ2 TRP 42 HZ2 TRP 42 -3.624 -12.753 8.658 343 HZ3 TRP 42 HZ3 TRP 42 -5.191 -8.753 8.277 344 HH2 TRP 42 HH2 TRP 42 -5.530 -11.146 8.857 345 H GLU 43 H GLU 43 1.256 -6.767 3.807 346 HA GLU 43 HA GLU 43 0.522 -4.126 4.821 347 HB2 GLU 43 HB2 GLU 43 2.894 -4.747 4.334 348 HB3 GLU 43 HB3 GLU 43 2.461 -5.092 2.667 349 HG2 GLU 43 HG2 GLU 43 3.397 -3.046 2.492 350 HG3 GLU 43 HG3 GLU 43 1.701 -2.633 2.473 351 H VAL 44 H VAL 44 0.333 -6.038 1.731 352 HA VAL 44 HA VAL 44 -0.915 -3.940 0.313 353 HB VAL 44 HB VAL 44 0.105 -6.287 -0.419 354 HG11 VAL 44 HG11 VAL 44 -1.673 -7.737 0.356 355 HG12 VAL 44 HG12 VAL 44 -2.837 -6.897 -0.701 356 HG13 VAL 44 HG13 VAL 44 -1.481 -7.815 -1.384 357 HG21 VAL 44 HG21 VAL 44 -0.154 -4.581 -2.014 358 HG22 VAL 44 HG22 VAL 44 -1.223 -5.859 -2.647 359 HG23 VAL 44 HG23 VAL 44 -1.924 -4.492 -1.789 360 H MET 45 H MET 45 -2.337 -6.675 2.112 361 HA MET 45 HA MET 45 -5.017 -6.022 1.552 362 HB2 MET 45 HB2 MET 45 -4.339 -8.234 2.304 363 HB3 MET 45 HB3 MET 45 -3.734 -7.560 3.829 364 HG2 MET 45 HG2 MET 45 -5.933 -8.661 4.094 365 HG3 MET 45 HG3 MET 45 -5.850 -6.965 4.565 366 HE1 MET 45 HE1 MET 45 -8.027 -8.407 0.695 367 HE2 MET 45 HE2 MET 45 -6.259 -8.296 0.777 368 HE3 MET 45 HE3 MET 45 -7.128 -9.498 1.770 369 H ASP 46 H ASP 46 -2.749 -4.830 4.083 370 HA ASP 46 HA ASP 46 -4.682 -3.503 5.692 371 HB2 ASP 46 HB2 ASP 46 -2.421 -3.762 6.459 372 HB3 ASP 46 HB3 ASP 46 -1.773 -2.845 5.119 373 H GLU 47 H GLU 47 -2.996 -2.555 2.699 374 HA GLU 47 HA GLU 47 -3.998 0.125 2.609 375 HB2 GLU 47 HB2 GLU 47 -2.586 0.309 0.998 376 HB3 GLU 47 HB3 GLU 47 -2.187 -1.375 1.154 377 HG2 GLU 47 HG2 GLU 47 -2.561 -0.955 -1.053 378 HG3 GLU 47 HG3 GLU 47 -3.923 -1.945 -0.561 379 H VAL 48 H VAL 48 -5.388 -2.999 1.596 380 HA VAL 48 HA VAL 48 -7.691 -1.682 0.328 381 HB VAL 48 HB VAL 48 -7.377 -4.654 0.890 382 HG11 VAL 48 HG11 VAL 48 -8.761 -3.131 -1.365 383 HG12 VAL 48 HG12 VAL 48 -8.748 -4.899 -1.141 384 HG13 VAL 48 HG13 VAL 48 -9.568 -3.862 0.015 385 HG21 VAL 48 HG21 VAL 48 -5.338 -4.109 -0.322 386 HG22 VAL 48 HG22 VAL 48 -6.436 -4.914 -1.414 387 HG23 VAL 48 HG23 VAL 48 -6.230 -3.147 -1.508 388 H HIS 49 H HIS 49 -6.814 -2.590 3.531 389 HA HIS 49 HA HIS 49 -8.773 -4.142 4.196 390 HB2 HIS 49 HB2 HIS 49 -6.755 -3.504 5.546 391 HB3 HIS 49 HB3 HIS 49 -7.758 -2.277 6.316 392 HD1 HIS 49 HD1 HIS 49 -8.396 -3.346 8.658 393 HD2 HIS 49 HD2 HIS 49 -8.527 -5.999 5.390 394 HE1 HIS 49 HE1 HIS 49 -9.260 -5.559 9.570 395 H GLU 50 H GLU 50 -9.333 -0.631 4.192 396 HA GLU 50 HA GLU 50 -11.701 -0.637 5.789 397 HB2 GLU 50 HB2 GLU 50 -10.817 1.216 3.532 398 HB3 GLU 50 HB3 GLU 50 -12.208 1.504 4.585 399 HG2 GLU 50 HG2 GLU 50 -10.706 1.469 6.578 400 HG3 GLU 50 HG3 GLU 50 -9.312 1.284 5.509 401 H GLU 51 H GLU 51 -11.159 -1.826 2.554 402 HA GLU 51 HA GLU 51 -14.045 -1.851 1.863 403 HB2 GLU 51 HB2 GLU 51 -11.515 -2.580 0.327 404 HB3 GLU 51 HB3 GLU 51 -13.143 -2.697 -0.330 405 HG2 GLU 51 HG2 GLU 51 -13.442 -0.378 -0.434 406 HG3 GLU 51 HG3 GLU 51 -12.192 -0.038 0.752 407 H GLU 52 H GLU 52 -11.919 -3.735 3.635 408 HA GLU 52 HA GLU 52 -12.857 -6.365 2.611 409 HB2 GLU 52 HB2 GLU 52 -10.197 -5.150 3.244 410 HB3 GLU 52 HB3 GLU 52 -10.382 -6.887 3.357 411 HG2 GLU 52 HG2 GLU 52 -11.074 -5.237 0.898 412 HG3 GLU 52 HG3 GLU 52 -9.547 -6.056 1.185 413 H GLU 53 H GLU 53 -12.351 -4.460 5.531 414 HA GLU 53 HA GLU 53 -11.952 -6.492 7.378 415 HB2 GLU 53 HB2 GLU 53 -12.730 -4.895 9.047 416 HB3 GLU 53 HB3 GLU 53 -11.690 -4.118 7.857 417 HG2 GLU 53 HG2 GLU 53 -13.674 -3.169 6.709 418 HG3 GLU 53 HG3 GLU 53 -14.740 -3.981 7.865 419 H PHE 54 H PHE 54 -14.718 -6.140 5.472 420 HA PHE 54 HA PHE 54 -16.358 -7.904 7.223 421 HB2 PHE 54 HB2 PHE 54 -18.316 -6.925 6.043 422 HB3 PHE 54 HB3 PHE 54 -17.422 -5.772 7.012 423 HD1 PHE 54 HD1 PHE 54 -18.156 -6.850 3.518 424 HD2 PHE 54 HD2 PHE 54 -16.310 -3.854 6.017 425 HE1 PHE 54 HE1 PHE 54 -17.906 -5.351 1.555 426 HE2 PHE 54 HE2 PHE 54 -16.057 -2.368 4.049 427 HZ PHE 54 HZ PHE 54 -16.853 -3.114 1.812 428 H ALA 55 H ALA 55 -14.198 -8.306 4.929 429 HA ALA 55 HA ALA 55 -15.757 -10.371 3.446 430 HB1 ALA 55 HB1 ALA 55 -15.483 -8.333 2.034 431 HB2 ALA 55 HB2 ALA 55 -13.715 -8.469 2.227 432 HB3 ALA 55 HB3 ALA 55 -14.622 -9.736 1.383 433 H VAL 56 H VAL 56 -12.600 -9.459 4.949 434 HA VAL 56 HA VAL 56 -11.324 -11.792 3.941 435 HB VAL 56 HB VAL 56 -9.580 -11.362 5.686 436 HG11 VAL 56 HG11 VAL 56 -8.840 -9.190 4.812 437 HG12 VAL 56 HG12 VAL 56 -9.440 -10.242 3.524 438 HG13 VAL 56 HG13 VAL 56 -10.449 -8.915 4.122 439 HG21 VAL 56 HG21 VAL 56 -11.325 -9.023 6.579 440 HG22 VAL 56 HG22 VAL 56 -11.031 -10.510 7.508 441 HG23 VAL 56 HG23 VAL 56 -9.692 -9.421 7.138 442 H GLU 57 H GLU 57 -13.800 -11.703 6.069 443 HA GLU 57 HA GLU 57 -13.474 -14.108 7.546 444 HB2 GLU 57 HB2 GLU 57 -16.027 -14.139 7.242 445 HB3 GLU 57 HB3 GLU 57 -15.349 -12.706 8.015 446 HG2 GLU 57 HG2 GLU 57 -15.562 -11.380 6.024 447 HG3 GLU 57 HG3 GLU 57 -15.875 -12.776 5.019 448 H GLY 58 H GLY 58 -13.622 -13.581 4.153 449 HA2 GLY 58 HA2 GLY 58 -14.594 -16.294 3.511 450 HA3 GLY 58 HA3 GLY 58 -14.271 -14.946 2.428 451 HA PRO 59 HA PRO 59 -10.702 -18.001 2.189 452 HB2 PRO 59 HB2 PRO 59 -10.848 -18.602 -0.463 453 HB3 PRO 59 HB3 PRO 59 -11.832 -19.427 0.778 454 HG2 PRO 59 HG2 PRO 59 -12.637 -17.094 -0.991 455 HG3 PRO 59 HG3 PRO 59 -13.520 -18.624 -0.679 456 HD2 PRO 59 HD2 PRO 59 -14.104 -16.339 0.668 457 HD3 PRO 59 HD3 PRO 59 -14.177 -17.945 1.460 458 H LEU 60 H LEU 60 -8.774 -17.760 0.592 459 HA LEU 60 HA LEU 60 -8.515 -15.155 -0.696 460 HB2 LEU 60 HB2 LEU 60 -7.397 -15.658 1.949 461 HB3 LEU 60 HB3 LEU 60 -6.075 -15.544 0.800 462 HG LEU 60 HG LEU 60 -8.273 -13.450 1.123 463 HD11 LEU 60 HD11 LEU 60 -6.561 -12.104 2.261 464 HD12 LEU 60 HD12 LEU 60 -6.836 -13.620 3.128 465 HD13 LEU 60 HD13 LEU 60 -5.388 -13.433 2.116 466 HD21 LEU 60 HD21 LEU 60 -5.658 -13.415 -0.467 467 HD22 LEU 60 HD22 LEU 60 -7.307 -13.335 -1.132 468 HD23 LEU 60 HD23 LEU 60 -6.684 -11.998 -0.166 469 H TRP 61 H TRP 61 -6.830 -15.156 -2.243 470 HA TRP 61 HA TRP 61 -5.638 -17.774 -3.006 471 HB2 TRP 61 HB2 TRP 61 -7.517 -15.943 -4.497 472 HB3 TRP 61 HB3 TRP 61 -6.688 -17.197 -5.323 473 HD1 TRP 61 HD1 TRP 61 -9.641 -16.404 -3.145 474 HE1 TRP 61 HE1 TRP 61 -11.232 -18.430 -2.967 475 HE3 TRP 61 HE3 TRP 61 -6.662 -19.878 -5.312 476 HZ2 TRP 61 HZ2 TRP 61 -11.152 -21.266 -3.662 477 HZ3 TRP 61 HZ3 TRP 61 -7.419 -22.253 -5.583 478 HH2 TRP 61 HH2 TRP 61 -9.666 -22.940 -4.753 479 H ILE 62 H ILE 62 -3.822 -17.449 -4.458 480 HA ILE 62 HA ILE 62 -3.023 -14.647 -5.019 481 HB ILE 62 HB ILE 62 -0.965 -16.656 -4.146 482 HG12 ILE 62 HG12 ILE 62 -2.472 -16.644 -2.185 483 HG13 ILE 62 HG13 ILE 62 -0.856 -16.051 -1.894 484 HG21 ILE 62 HG21 ILE 62 0.302 -14.630 -3.525 485 HG22 ILE 62 HG22 ILE 62 -0.173 -14.621 -5.216 486 HG23 ILE 62 HG23 ILE 62 -1.063 -13.606 -4.067 487 HD11 ILE 62 HD11 ILE 62 -3.319 -14.282 -2.116 488 HD12 ILE 62 HD12 ILE 62 -2.480 -14.757 -0.639 489 HD13 ILE 62 HD13 ILE 62 -1.667 -13.720 -1.824 490 H GLN 63 H GLN 63 -1.810 -14.451 -6.937 491 HA GLN 63 HA GLN 63 -0.645 -16.851 -8.189 492 HB2 GLN 63 HB2 GLN 63 -2.760 -16.564 -9.392 493 HB3 GLN 63 HB3 GLN 63 -2.433 -14.850 -9.658 494 HG2 GLN 63 HG2 GLN 63 -0.512 -15.396 -11.083 495 HG3 GLN 63 HG3 GLN 63 -0.749 -17.127 -10.794 496 HE21 GLN 63 HE22 GLN 63 -1.004 -15.145 -13.276 497 HE22 GLN 63 HE21 GLN 63 -2.505 -15.663 -14.004 498 H VAL 64 H VAL 64 1.447 -16.217 -9.170 499 HA VAL 64 HA VAL 64 2.245 -13.380 -8.782 500 HB VAL 64 HB VAL 64 2.318 -14.734 -6.607 501 HG11 VAL 64 HG11 VAL 64 4.849 -15.934 -7.800 502 HG12 VAL 64 HG12 VAL 64 4.163 -16.193 -6.180 503 HG13 VAL 64 HG13 VAL 64 3.323 -16.818 -7.598 504 HG21 VAL 64 HG21 VAL 64 4.364 -13.626 -5.885 505 HG22 VAL 64 HG22 VAL 64 4.819 -13.322 -7.587 506 HG23 VAL 64 HG23 VAL 64 3.373 -12.589 -6.911 507 H GLN 65 H GLN 65 4.325 -12.830 -9.805 508 HA GLN 65 HA GLN 65 5.790 -15.069 -10.970 509 HB2 GLN 65 HB2 GLN 65 5.984 -13.827 -13.143 510 HB3 GLN 65 HB3 GLN 65 4.456 -14.659 -12.903 511 HG2 GLN 65 HG2 GLN 65 4.675 -11.717 -12.187 512 HG3 GLN 65 HG3 GLN 65 4.615 -12.183 -13.870 513 HE21 GLN 65 HE22 GLN 65 2.668 -11.747 -11.002 514 HE22 GLN 65 HE21 GLN 65 1.167 -12.197 -11.804 515 H ALA 66 H ALA 66 7.910 -14.515 -11.415 516 HA ALA 66 HA ALA 66 8.989 -12.032 -10.195 517 HB1 ALA 66 HB1 ALA 66 11.176 -13.037 -10.723 518 HB2 ALA 66 HB2 ALA 66 10.193 -14.195 -9.803 519 HB3 ALA 66 HB3 ALA 66 10.384 -14.387 -11.561 520 H LEU 67 H LEU 67 9.846 -10.440 -11.436 521 HA LEU 67 HA LEU 67 9.916 -10.601 -14.399 522 HB2 LEU 67 HB2 LEU 67 9.138 -8.245 -12.607 523 HB3 LEU 67 HB3 LEU 67 9.331 -8.177 -14.339 524 HG LEU 67 HG LEU 67 7.530 -10.262 -14.149 525 HD11 LEU 67 HD11 LEU 67 6.836 -8.345 -11.947 526 HD12 LEU 67 HD12 LEU 67 5.785 -9.613 -12.619 527 HD13 LEU 67 HD13 LEU 67 7.269 -10.072 -11.779 528 HD21 LEU 67 HD21 LEU 67 6.823 -7.300 -14.168 529 HD22 LEU 67 HD22 LEU 67 7.290 -8.253 -15.604 530 HD23 LEU 67 HD23 LEU 67 5.788 -8.627 -14.731 531 H ASP 68 H ASP 68 11.407 -8.501 -15.026 532 HA ASP 68 HA ASP 68 13.929 -9.521 -14.515 533 HB2 ASP 68 HB2 ASP 68 13.261 -8.214 -16.501 534 HB3 ASP 68 HB3 ASP 68 13.286 -6.736 -15.528 535 H LYS 69 H LYS 69 12.383 -6.838 -12.772 536 HA LYS 69 HA LYS 69 14.612 -6.879 -10.819 537 HB2 LYS 69 HB2 LYS 69 13.494 -4.388 -12.081 538 HB3 LYS 69 HB3 LYS 69 14.586 -4.379 -10.706 539 HG2 LYS 69 HG2 LYS 69 15.282 -5.482 -13.447 540 HG3 LYS 69 HG3 LYS 69 15.671 -3.880 -12.879 541 HD2 LYS 69 HD2 LYS 69 17.057 -4.778 -11.062 542 HD3 LYS 69 HD3 LYS 69 16.680 -6.431 -11.519 543 HE2 LYS 69 HE2 LYS 69 18.057 -4.430 -13.363 544 HE3 LYS 69 HE3 LYS 69 18.920 -5.564 -12.322 545 HZ1 LYS 69 HZ1 LYS 69 17.077 -6.328 -14.532 546 HZ2 LYS 69 HZ2 LYS 69 18.707 -6.463 -14.528 547 HZ3 LYS 69 HZ3 LYS 69 17.811 -7.388 -13.514 548 H GLY 70 H GLY 70 11.786 -7.934 -10.787 549 HA2 GLY 70 HA2 GLY 70 10.912 -7.008 -8.227 550 HA3 GLY 70 HA3 GLY 70 10.002 -6.177 -9.483 551 H LEU 71 H LEU 71 8.292 -7.430 -8.262 552 HA LEU 71 HA LEU 71 7.699 -10.005 -9.693 553 HB2 LEU 71 HB2 LEU 71 7.146 -9.189 -6.784 554 HB3 LEU 71 HB3 LEU 71 6.322 -10.515 -7.595 555 HG LEU 71 HG LEU 71 8.274 -11.866 -7.652 556 HD11 LEU 71 HD11 LEU 71 10.323 -11.176 -6.312 557 HD12 LEU 71 HD12 LEU 71 10.145 -10.425 -7.892 558 HD13 LEU 71 HD13 LEU 71 9.734 -9.489 -6.423 559 HD21 LEU 71 HD21 LEU 71 8.488 -12.187 -5.195 560 HD22 LEU 71 HD22 LEU 71 7.841 -10.562 -4.916 561 HD23 LEU 71 HD23 LEU 71 6.817 -11.824 -5.628 562 H GLU 72 H GLU 72 5.525 -10.142 -10.313 563 HA GLU 72 HA GLU 72 3.687 -7.944 -9.457 564 HB2 GLU 72 HB2 GLU 72 3.543 -9.652 -11.963 565 HB3 GLU 72 HB3 GLU 72 2.095 -9.072 -11.186 566 HG2 GLU 72 HG2 GLU 72 2.931 -6.706 -11.360 567 HG3 GLU 72 HG3 GLU 72 4.235 -7.310 -12.380 568 H ILE 73 H ILE 73 2.030 -8.559 -8.236 569 HA ILE 73 HA ILE 73 1.674 -11.411 -7.584 570 HB ILE 73 HB ILE 73 1.435 -9.093 -5.655 571 HG12 ILE 73 HG12 ILE 73 3.341 -9.789 -4.362 572 HG13 ILE 73 HG13 ILE 73 3.839 -10.963 -5.519 573 HG21 ILE 73 HG21 ILE 73 1.344 -10.837 -3.933 574 HG22 ILE 73 HG22 ILE 73 0.106 -11.135 -5.156 575 HG23 ILE 73 HG23 ILE 73 1.598 -12.102 -5.166 576 HD11 ILE 73 HD11 ILE 73 4.536 -9.272 -7.051 577 HD12 ILE 73 HD12 ILE 73 3.652 -7.995 -6.188 578 HD13 ILE 73 HD13 ILE 73 5.092 -8.749 -5.461 579 H ILE 74 H ILE 74 -0.405 -11.949 -8.052 580 HA ILE 74 HA ILE 74 -2.599 -9.906 -8.098 581 HB ILE 74 HB ILE 74 -2.242 -12.606 -9.467 582 HG12 ILE 74 HG12 ILE 74 -2.753 -11.457 -11.561 583 HG13 ILE 74 HG13 ILE 74 -2.902 -9.915 -10.743 584 HG21 ILE 74 HG21 ILE 74 -4.521 -12.542 -8.645 585 HG22 ILE 74 HG22 ILE 74 -4.765 -10.903 -9.294 586 HG23 ILE 74 HG23 ILE 74 -4.546 -12.294 -10.385 587 HD11 ILE 74 HD11 ILE 74 -0.332 -11.535 -10.837 588 HD12 ILE 74 HD12 ILE 74 -0.773 -10.295 -12.041 589 HD13 ILE 74 HD13 ILE 74 -0.512 -9.823 -10.361 590 H VAL 75 H VAL 75 -4.338 -10.362 -6.634 591 HA VAL 75 HA VAL 75 -4.300 -12.917 -5.270 592 HB VAL 75 HB VAL 75 -3.518 -12.286 -3.353 593 HG11 VAL 75 HG11 VAL 75 -2.061 -10.649 -4.279 594 HG12 VAL 75 HG12 VAL 75 -3.330 -9.393 -4.257 595 HG13 VAL 75 HG13 VAL 75 -2.672 -10.041 -2.746 596 HG21 VAL 75 HG21 VAL 75 -5.829 -11.880 -2.681 597 HG22 VAL 75 HG22 VAL 75 -4.691 -10.866 -1.789 598 HG23 VAL 75 HG23 VAL 75 -5.659 -10.156 -3.100 599 H THR 76 H THR 76 -6.393 -13.616 -4.667 600 HA THR 76 HA THR 76 -8.559 -12.014 -5.915 601 HB THR 76 HB THR 76 -9.145 -13.677 -7.420 602 HG1 THR 76 HG1 THR 76 -8.483 -15.742 -7.461 603 HG21 THR 76 HG21 THR 76 -7.225 -14.145 -8.832 604 HG22 THR 76 HG22 THR 76 -6.906 -12.583 -8.065 605 HG23 THR 76 HG23 THR 76 -6.111 -14.055 -7.454 606 H LYS 77 H LYS 77 -10.731 -13.010 -5.531 607 HA LYS 77 HA LYS 77 -11.009 -14.874 -3.311 608 HB2 LYS 77 HB2 LYS 77 -12.101 -12.024 -3.150 609 HB3 LYS 77 HB3 LYS 77 -12.692 -13.362 -2.187 610 HG2 LYS 77 HG2 LYS 77 -11.260 -12.718 -0.631 611 HG3 LYS 77 HG3 LYS 77 -10.101 -13.621 -1.539 612 HD2 LYS 77 HD2 LYS 77 -9.245 -11.415 -0.826 613 HD3 LYS 77 HD3 LYS 77 -9.206 -11.592 -2.568 614 HE2 LYS 77 HE2 LYS 77 -9.926 -9.348 -1.852 615 HE3 LYS 77 HE3 LYS 77 -11.127 -10.153 -2.859 616 HZ1 LYS 77 HZ1 LYS 77 -12.068 -9.003 -0.908 617 HZ2 LYS 77 HZ2 LYS 77 -12.409 -10.628 -0.794 618 HZ3 LYS 77 HZ3 LYS 77 -11.224 -9.860 0.103 619 H ALA 78 H ALA 78 -13.307 -15.548 -3.154 620 HA ALA 78 HA ALA 78 -14.797 -15.600 -5.649 621 HB1 ALA 78 HB1 ALA 78 -15.019 -17.399 -3.947 622 HB2 ALA 78 HB2 ALA 78 -15.639 -16.214 -2.773 623 HB3 ALA 78 HB3 ALA 78 -16.576 -16.594 -4.231 624 H GLN 79 H GLN 79 -16.932 -14.516 -5.886 625 HA GLN 79 HA GLN 79 -16.820 -11.742 -5.187 626 HB2 GLN 79 HB2 GLN 79 -19.056 -11.586 -6.174 627 HB3 GLN 79 HB3 GLN 79 -17.902 -12.400 -7.219 628 HG2 GLN 79 HG2 GLN 79 -18.907 -14.605 -6.611 629 HG3 GLN 79 HG3 GLN 79 -20.055 -13.784 -5.551 630 HE21 GLN 79 HE22 GLN 79 -18.985 -13.936 -9.012 631 HE22 GLN 79 HE21 GLN 79 -20.550 -13.519 -9.666 632 H LEU 80 H LEU 80 -17.600 -10.647 -3.432 633 HA LEU 80 HA LEU 80 -18.551 -12.032 -1.103 634 HB2 LEU 80 HB2 LEU 80 -17.335 -9.854 -1.068 635 HB3 LEU 80 HB3 LEU 80 -18.694 -9.086 -1.892 636 HG LEU 80 HG LEU 80 -20.155 -9.572 0.078 637 HD11 LEU 80 HD11 LEU 80 -17.565 -10.611 1.339 638 HD12 LEU 80 HD12 LEU 80 -19.060 -10.247 2.227 639 HD13 LEU 80 HD13 LEU 80 -19.052 -11.548 1.039 640 HD21 LEU 80 HD21 LEU 80 -19.157 -7.895 1.554 641 HD22 LEU 80 HD22 LEU 80 -17.582 -8.078 0.742 642 HD23 LEU 80 HD23 LEU 80 -18.980 -7.423 -0.137 643 H SER 81 H SER 81 -20.119 -10.406 -3.846 644 HA SER 81 HA SER 81 -22.775 -10.360 -2.839 645 HB2 SER 81 HB2 SER 81 -23.153 -9.927 -5.406 646 HB3 SER 81 HB3 SER 81 -22.310 -8.752 -4.391 647 HG SER 81 HG SER 81 -21.204 -9.187 -6.393 648 H LYS 82 H LYS 82 -21.230 -13.145 -3.129 649 HA LYS 82 HA LYS 82 -22.759 -14.818 -4.834 650 HB2 LYS 82 HB2 LYS 82 -20.656 -15.453 -3.669 651 HB3 LYS 82 HB3 LYS 82 -21.511 -15.443 -2.118 652 HG2 LYS 82 HG2 LYS 82 -22.957 -17.284 -2.894 653 HG3 LYS 82 HG3 LYS 82 -22.190 -17.242 -4.492 654 HD2 LYS 82 HD2 LYS 82 -20.017 -17.861 -3.455 655 HD3 LYS 82 HD3 LYS 82 -20.797 -17.887 -1.852 656 HE2 LYS 82 HE2 LYS 82 -22.352 -19.662 -2.652 657 HE3 LYS 82 HE3 LYS 82 -21.567 -19.638 -4.238 658 HZ1 LYS 82 HZ1 LYS 82 -20.728 -21.433 -2.867 659 HZ2 LYS 82 HZ2 LYS 82 -19.513 -20.383 -3.158 660 HZ3 LYS 82 HZ3 LYS 82 -20.248 -20.409 -1.689 661 H ASP 83 H ASP 83 -23.542 -13.316 -1.743 662 HA ASP 83 HA ASP 83 -26.330 -13.810 -2.374 663 HB2 ASP 83 HB2 ASP 83 -25.580 -15.414 -0.422 664 HB3 ASP 83 HB3 ASP 83 -25.575 -13.946 0.552 665 H LEU 84 H LEU 84 -27.564 -12.083 -0.953 666 HA LEU 84 HA LEU 84 -26.093 -9.648 -0.413 667 HB2 LEU 84 HB2 LEU 84 -26.165 -9.639 -2.922 668 HB3 LEU 84 HB3 LEU 84 -27.924 -9.753 -2.854 669 HG LEU 84 HG LEU 84 -28.016 -7.523 -1.721 670 HD11 LEU 84 HD11 LEU 84 -25.827 -7.454 -0.602 671 HD12 LEU 84 HD12 LEU 84 -24.989 -7.535 -2.167 672 HD13 LEU 84 HD13 LEU 84 -25.951 -6.102 -1.728 673 HD21 LEU 84 HD21 LEU 84 -27.391 -6.201 -3.699 674 HD22 LEU 84 HD22 LEU 84 -26.429 -7.557 -4.331 675 HD23 LEU 84 HD23 LEU 84 -28.192 -7.705 -4.172 676 H ASP 85 H ASP 85 -29.199 -11.347 -0.968 677 HA ASP 85 HA ASP 85 -30.895 -9.597 0.549 678 HB2 ASP 85 HB2 ASP 85 -31.839 -11.316 -0.858 679 HB3 ASP 85 HB3 ASP 85 -30.952 -12.584 -0.015 680 H LYS 86 H LYS 86 -28.740 -12.343 1.415 681 HA LYS 86 HA LYS 86 -29.074 -11.783 4.312 682 HB2 LYS 86 HB2 LYS 86 -27.537 -13.837 2.706 683 HB3 LYS 86 HB3 LYS 86 -26.932 -13.370 4.280 684 HG2 LYS 86 HG2 LYS 86 -28.312 -15.384 4.360 685 HG3 LYS 86 HG3 LYS 86 -28.890 -14.070 5.352 686 HD2 LYS 86 HD2 LYS 86 -30.764 -15.235 4.375 687 HD3 LYS 86 HD3 LYS 86 -30.707 -13.585 3.741 688 HE2 LYS 86 HE2 LYS 86 -29.565 -14.430 1.690 689 HE3 LYS 86 HE3 LYS 86 -29.573 -16.063 2.377 690 HZ1 LYS 86 HZ1 LYS 86 -31.996 -14.463 1.729 691 HZ2 LYS 86 HZ2 LYS 86 -31.395 -15.680 0.791 692 HZ3 LYS 86 HZ3 LYS 86 -32.000 -16.016 2.275 693 H LEU 87 H LEU 87 -28.139 -10.024 5.061 694 HA LEU 87 HA LEU 87 -26.091 -8.466 3.748 695 HB2 LEU 87 HB2 LEU 87 -27.229 -8.426 6.526 696 HB3 LEU 87 HB3 LEU 87 -26.100 -7.267 5.859 697 HG LEU 87 HG LEU 87 -28.961 -7.792 4.935 698 HD11 LEU 87 HD11 LEU 87 -27.506 -5.415 6.097 699 HD12 LEU 87 HD12 LEU 87 -29.245 -5.466 5.680 700 HD13 LEU 87 HD13 LEU 87 -28.606 -6.498 6.985 701 HD21 LEU 87 HD21 LEU 87 -26.856 -5.955 3.705 702 HD22 LEU 87 HD22 LEU 87 -27.718 -7.292 2.905 703 HD23 LEU 87 HD23 LEU 87 -28.605 -5.849 3.381 704 H VAL 88 H VAL 88 -23.954 -8.073 4.686 705 HA VAL 88 HA VAL 88 -22.558 -10.339 5.850 706 HB VAL 88 HB VAL 88 -20.704 -8.776 6.137 707 HG11 VAL 88 HG11 VAL 88 -20.235 -8.330 3.817 708 HG12 VAL 88 HG12 VAL 88 -21.081 -9.881 3.938 709 HG13 VAL 88 HG13 VAL 88 -21.948 -8.439 3.373 710 HG21 VAL 88 HG21 VAL 88 -21.918 -6.739 6.729 711 HG22 VAL 88 HG22 VAL 88 -20.814 -6.461 5.374 712 HG23 VAL 88 HG23 VAL 88 -22.559 -6.604 5.075 713 HA PRO 89 HA PRO 89 -23.544 -9.907 10.128 714 HB2 PRO 89 HB2 PRO 89 -20.591 -9.639 10.697 715 HB3 PRO 89 HB3 PRO 89 -21.805 -10.725 11.448 716 HG2 PRO 89 HG2 PRO 89 -20.071 -11.660 9.602 717 HG3 PRO 89 HG3 PRO 89 -21.779 -12.198 9.609 718 HD2 PRO 89 HD2 PRO 89 -20.475 -10.185 7.802 719 HD3 PRO 89 HD3 PRO 89 -21.722 -11.397 7.444 720 H ARG 90 H ARG 90 -23.626 -8.450 11.917 721 HA ARG 90 HA ARG 90 -22.442 -5.758 11.704 722 HB2 ARG 90 HB2 ARG 90 -25.425 -6.362 11.874 723 HB3 ARG 90 HB3 ARG 90 -24.681 -4.812 12.282 724 HG2 ARG 90 HG2 ARG 90 -23.767 -4.646 9.956 725 HG3 ARG 90 HG3 ARG 90 -24.640 -6.143 9.533 726 HD2 ARG 90 HD2 ARG 90 -26.773 -5.097 10.082 727 HD3 ARG 90 HD3 ARG 90 -25.924 -3.659 10.692 728 HE ARG 90 HE ARG 90 -25.115 -4.044 8.020 729 HH11 ARG 90 HH11 ARG 90 -28.103 -3.185 9.752 730 HH12 ARG 90 HH12 ARG 90 -28.739 -2.218 8.470 731 HH21 ARG 90 HH21 ARG 90 -25.953 -2.734 6.313 732 HH22 ARG 90 HH22 ARG 90 -27.493 -1.968 6.466 Start of MODEL 5 1 H1 MET 1 H1 MET 1 6.057 1.587 -4.817 2 H2 MET 1 H2 MET 1 5.458 1.245 -3.332 3 H3 MET 1 H3 MET 1 6.871 0.542 -3.853 4 HA MET 1 HA MET 1 5.824 -0.661 -5.532 5 HB2 MET 1 HB2 MET 1 4.716 -2.349 -4.345 6 HB3 MET 1 HB3 MET 1 5.917 -1.702 -3.254 7 HG2 MET 1 HG2 MET 1 4.040 -0.331 -2.187 8 HG3 MET 1 HG3 MET 1 2.910 -1.258 -3.161 9 HE1 MET 1 HE1 MET 1 2.467 -3.769 -2.868 10 HE2 MET 1 HE2 MET 1 4.178 -4.234 -3.051 11 HE3 MET 1 HE3 MET 1 3.232 -4.838 -1.672 12 H GLU 2 H GLU 2 3.692 -1.564 -6.379 13 HA GLU 2 HA GLU 2 2.253 0.884 -7.297 14 HB2 GLU 2 HB2 GLU 2 4.091 -1.137 -8.499 15 HB3 GLU 2 HB3 GLU 2 2.689 -0.829 -9.469 16 HG2 GLU 2 HG2 GLU 2 4.538 0.611 -10.119 17 HG3 GLU 2 HG3 GLU 2 3.164 1.554 -9.548 18 H ILE 3 H ILE 3 0.445 0.363 -5.931 19 HA ILE 3 HA ILE 3 -0.833 -2.240 -6.011 20 HB ILE 3 HB ILE 3 -1.864 0.366 -4.881 21 HG12 ILE 3 HG12 ILE 3 0.249 -0.021 -3.785 22 HG13 ILE 3 HG13 ILE 3 -1.065 -0.417 -2.709 23 HG21 ILE 3 HG21 ILE 3 -2.657 -2.537 -4.366 24 HG22 ILE 3 HG22 ILE 3 -3.137 -1.182 -3.322 25 HG23 ILE 3 HG23 ILE 3 -3.673 -1.221 -4.990 26 HD11 ILE 3 HD11 ILE 3 -0.687 -2.865 -3.169 27 HD12 ILE 3 HD12 ILE 3 0.745 -2.383 -4.121 28 HD13 ILE 3 HD13 ILE 3 0.666 -2.028 -2.393 29 H GLU 4 H GLU 4 -2.879 -2.756 -7.022 30 HA GLU 4 HA GLU 4 -4.346 -0.662 -8.492 31 HB2 GLU 4 HB2 GLU 4 -2.889 -1.991 -10.085 32 HB3 GLU 4 HB3 GLU 4 -3.674 -3.443 -9.486 33 HG2 GLU 4 HG2 GLU 4 -4.724 -2.881 -11.467 34 HG3 GLU 4 HG3 GLU 4 -5.890 -2.470 -10.259 35 H ARG 5 H ARG 5 -6.618 -1.126 -8.468 36 HA ARG 5 HA ARG 5 -7.489 -3.318 -6.644 37 HB2 ARG 5 HB2 ARG 5 -7.589 -0.709 -6.015 38 HB3 ARG 5 HB3 ARG 5 -9.101 -0.788 -6.912 39 HG2 ARG 5 HG2 ARG 5 -8.268 -2.539 -4.556 40 HG3 ARG 5 HG3 ARG 5 -9.326 -1.146 -4.517 41 HD2 ARG 5 HD2 ARG 5 -11.013 -2.279 -5.879 42 HD3 ARG 5 HD3 ARG 5 -9.968 -3.684 -6.071 43 HE ARG 5 HE ARG 5 -10.109 -4.109 -3.658 44 HH11 ARG 5 HH21 ARG 5 -12.710 -1.922 -4.900 45 HH12 ARG 5 HH22 ARG 5 -13.884 -2.694 -3.842 46 HH21 ARG 5 HH11 ARG 5 -11.677 -4.761 -2.182 47 HH22 ARG 5 HH12 ARG 5 -13.298 -4.088 -2.276 48 H ILE 6 H ILE 6 -8.230 -4.873 -8.102 49 HA ILE 6 HA ILE 6 -8.944 -4.157 -10.790 50 HB ILE 6 HB ILE 6 -9.309 -6.783 -9.308 51 HG12 ILE 6 HG12 ILE 6 -6.999 -6.182 -9.064 52 HG13 ILE 6 HG13 ILE 6 -7.160 -7.421 -10.268 53 HG21 ILE 6 HG21 ILE 6 -9.119 -7.848 -11.502 54 HG22 ILE 6 HG22 ILE 6 -10.546 -6.814 -11.387 55 HG23 ILE 6 HG23 ILE 6 -9.129 -6.250 -12.289 56 HD11 ILE 6 HD11 ILE 6 -6.911 -5.683 -12.071 57 HD12 ILE 6 HD12 ILE 6 -6.702 -4.463 -10.798 58 HD13 ILE 6 HD13 ILE 6 -5.511 -5.755 -10.992 59 H ASN 7 H ASN 7 -10.727 -5.583 -8.060 60 HA ASN 7 HA ASN 7 -13.197 -4.144 -8.562 61 HB2 ASN 7 HB2 ASN 7 -14.608 -6.030 -9.154 62 HB3 ASN 7 HB3 ASN 7 -13.336 -5.879 -10.345 63 HD21 ASN 7 HD22 ASN 7 -14.277 -8.208 -10.704 64 HD22 ASN 7 HD21 ASN 7 -13.405 -9.471 -9.863 65 H GLU 8 H GLU 8 -14.967 -5.640 -7.062 66 HA GLU 8 HA GLU 8 -14.045 -5.188 -4.440 67 HB2 GLU 8 HB2 GLU 8 -16.467 -5.322 -5.564 68 HB3 GLU 8 HB3 GLU 8 -16.397 -6.987 -4.991 69 HG2 GLU 8 HG2 GLU 8 -17.488 -5.753 -3.288 70 HG3 GLU 8 HG3 GLU 8 -15.859 -5.996 -2.672 71 H HIS 9 H HIS 9 -13.138 -7.779 -6.322 72 HA HIS 9 HA HIS 9 -13.096 -9.765 -4.079 73 HB2 HIS 9 HB2 HIS 9 -13.228 -10.190 -7.090 74 HB3 HIS 9 HB3 HIS 9 -13.209 -11.432 -5.868 75 HD1 HIS 9 HD1 HIS 9 -15.638 -9.775 -7.981 76 HD2 HIS 9 HD2 HIS 9 -15.464 -10.751 -3.883 77 HE1 HIS 9 HE1 HIS 9 -18.025 -9.676 -7.113 78 H THR 10 H THR 10 -11.294 -8.301 -6.739 79 HA THR 10 HA THR 10 -8.824 -9.724 -5.894 80 HB THR 10 HB THR 10 -9.843 -8.862 -8.623 81 HG1 THR 10 HG1 THR 10 -10.274 -11.037 -8.890 82 HG21 THR 10 HG21 THR 10 -7.363 -8.819 -8.567 83 HG22 THR 10 HG22 THR 10 -7.350 -10.479 -7.999 84 HG23 THR 10 HG23 THR 10 -7.996 -10.090 -9.616 85 H VAL 11 H VAL 11 -6.963 -8.613 -5.755 86 HA VAL 11 HA VAL 11 -6.804 -5.866 -6.785 87 HB VAL 11 HB VAL 11 -5.627 -5.023 -4.850 88 HG11 VAL 11 HG11 VAL 11 -7.491 -4.647 -3.400 89 HG12 VAL 11 HG12 VAL 11 -8.162 -4.861 -5.030 90 HG13 VAL 11 HG13 VAL 11 -8.268 -6.178 -3.859 91 HG21 VAL 11 HG21 VAL 11 -5.586 -6.155 -2.677 92 HG22 VAL 11 HG22 VAL 11 -6.341 -7.594 -3.379 93 HG23 VAL 11 HG23 VAL 11 -4.698 -7.100 -3.875 94 H LYS 12 H LYS 12 -4.505 -5.357 -7.309 95 HA LYS 12 HA LYS 12 -2.705 -7.652 -7.069 96 HB2 LYS 12 HB2 LYS 12 -2.170 -7.974 -9.229 97 HB3 LYS 12 HB3 LYS 12 -3.902 -7.753 -9.398 98 HG2 LYS 12 HG2 LYS 12 -3.514 -5.467 -10.186 99 HG3 LYS 12 HG3 LYS 12 -1.766 -5.674 -9.985 100 HD2 LYS 12 HD2 LYS 12 -1.870 -7.644 -11.555 101 HD3 LYS 12 HD3 LYS 12 -3.563 -7.230 -11.914 102 HE2 LYS 12 HE2 LYS 12 -2.925 -5.082 -12.809 103 HE3 LYS 12 HE3 LYS 12 -1.326 -5.231 -12.044 104 HZ1 LYS 12 HZ1 LYS 12 -0.646 -6.815 -13.625 105 HZ2 LYS 12 HZ2 LYS 12 -2.171 -6.993 -14.271 106 HZ3 LYS 12 HZ3 LYS 12 -1.327 -5.612 -14.488 107 H PHE 13 H PHE 13 -0.422 -6.938 -7.634 108 HA PHE 13 HA PHE 13 -0.053 -4.078 -7.783 109 HB2 PHE 13 HB2 PHE 13 1.312 -3.891 -5.734 110 HB3 PHE 13 HB3 PHE 13 -0.367 -4.255 -5.376 111 HD1 PHE 13 HD2 PHE 13 -1.067 -6.583 -4.733 112 HD2 PHE 13 HD1 PHE 13 3.057 -5.374 -5.013 113 HE1 PHE 13 HE2 PHE 13 -0.412 -8.503 -3.313 114 HE2 PHE 13 HE1 PHE 13 3.706 -7.248 -3.511 115 HZ PHE 13 HZ PHE 13 1.944 -8.768 -2.597 116 H TYR 14 H TYR 14 2.244 -3.545 -7.998 117 HA TYR 14 HA TYR 14 3.974 -5.842 -8.783 118 HB2 TYR 14 HB2 TYR 14 3.461 -4.566 -10.742 119 HB3 TYR 14 HB3 TYR 14 3.686 -3.049 -9.917 120 HD1 TYR 14 HD2 TYR 14 5.438 -6.129 -11.004 121 HD2 TYR 14 HD1 TYR 14 5.838 -2.064 -9.670 122 HE1 TYR 14 HE2 TYR 14 7.831 -6.279 -11.459 123 HE2 TYR 14 HE1 TYR 14 8.313 -2.180 -10.095 124 HH TYR 14 HH TYR 14 9.870 -5.047 -11.616 125 H MET 15 H MET 15 5.965 -5.876 -7.800 126 HA MET 15 HA MET 15 6.589 -3.808 -5.739 127 HB2 MET 15 HB2 MET 15 5.405 -5.929 -4.866 128 HB3 MET 15 HB3 MET 15 6.801 -6.829 -5.430 129 HG2 MET 15 HG2 MET 15 8.228 -5.648 -3.923 130 HG3 MET 15 HG3 MET 15 6.916 -4.580 -3.456 131 HE1 MET 15 HE1 MET 15 5.931 -4.924 -1.084 132 HE2 MET 15 HE2 MET 15 6.540 -6.285 -0.118 133 HE3 MET 15 HE3 MET 15 7.689 -5.206 -0.952 134 H SER 16 H SER 16 8.595 -3.022 -6.321 135 HA SER 16 HA SER 16 10.354 -4.538 -8.087 136 HB2 SER 16 HB2 SER 16 11.071 -2.119 -6.441 137 HB3 SER 16 HB3 SER 16 11.805 -2.656 -7.959 138 HG SER 16 HG SER 16 10.361 -0.875 -8.265 139 H TYR 17 H TYR 17 12.502 -5.321 -7.425 140 HA TYR 17 HA TYR 17 12.702 -6.668 -4.964 141 HB2 TYR 17 HB2 TYR 17 14.970 -5.507 -6.621 142 HB3 TYR 17 HB3 TYR 17 15.131 -6.738 -5.369 143 HD1 TYR 17 HD1 TYR 17 12.621 -8.426 -6.124 144 HD2 TYR 17 HD2 TYR 17 15.832 -6.719 -8.462 145 HE1 TYR 17 HE1 TYR 17 12.392 -10.232 -7.741 146 HE2 TYR 17 HE2 TYR 17 15.568 -8.514 -10.135 147 HH TYR 17 HH TYR 17 14.428 -10.505 -10.708 148 H GLY 18 H GLY 18 13.808 -3.337 -5.729 149 HA2 GLY 18 HA2 GLY 18 15.040 -2.816 -3.266 150 HA3 GLY 18 HA3 GLY 18 14.331 -1.621 -4.333 151 H ASP 19 H ASP 19 11.538 -2.885 -4.014 152 HA ASP 19 HA ASP 19 10.721 -1.372 -1.663 153 HB2 ASP 19 HB2 ASP 19 9.419 -2.846 -3.894 154 HB3 ASP 19 HB3 ASP 19 8.604 -3.088 -2.376 155 H ILE 20 H ILE 20 11.539 -4.721 -2.363 156 HA ILE 20 HA ILE 20 10.407 -5.803 0.115 157 HB ILE 20 HB ILE 20 12.057 -6.887 -2.212 158 HG12 ILE 20 HG12 ILE 20 9.272 -7.744 -1.350 159 HG13 ILE 20 HG13 ILE 20 9.488 -6.250 -2.235 160 HG21 ILE 20 HG21 ILE 20 12.701 -8.168 -0.187 161 HG22 ILE 20 HG22 ILE 20 10.977 -8.547 0.087 162 HG23 ILE 20 HG23 ILE 20 11.807 -9.135 -1.366 163 HD11 ILE 20 HD11 ILE 20 10.217 -8.995 -3.268 164 HD12 ILE 20 HD12 ILE 20 8.893 -7.915 -3.800 165 HD13 ILE 20 HD13 ILE 20 10.567 -7.451 -4.100 166 H GLU 21 H GLU 21 13.626 -5.026 -1.244 167 HA GLU 21 HA GLU 21 15.291 -5.576 0.964 168 HB2 GLU 21 HB2 GLU 21 15.358 -3.473 -1.218 169 HB3 GLU 21 HB3 GLU 21 16.682 -3.685 -0.109 170 HG2 GLU 21 HG2 GLU 21 15.579 -5.874 -1.930 171 HG3 GLU 21 HG3 GLU 21 16.922 -4.804 -2.265 172 H ASP 22 H ASP 22 13.481 -2.621 0.127 173 HA ASP 22 HA ASP 22 14.369 -0.902 2.170 174 HB2 ASP 22 HB2 ASP 22 12.936 -0.203 0.283 175 HB3 ASP 22 HB3 ASP 22 11.578 -1.064 0.972 176 H ARG 23 H ARG 23 11.645 -3.131 2.155 177 HA ARG 23 HA ARG 23 10.855 -2.713 4.918 178 HB2 ARG 23 HB2 ARG 23 10.220 -4.873 2.869 179 HB3 ARG 23 HB3 ARG 23 9.490 -4.804 4.488 180 HG2 ARG 23 HG2 ARG 23 8.364 -2.788 4.062 181 HG3 ARG 23 HG3 ARG 23 9.326 -2.443 2.619 182 HD2 ARG 23 HD2 ARG 23 8.295 -4.279 1.393 183 HD3 ARG 23 HD3 ARG 23 7.405 -4.798 2.822 184 HE ARG 23 HE ARG 23 5.906 -3.082 2.595 185 HH11 ARG 23 HH11 ARG 23 8.673 -2.380 0.436 186 HH12 ARG 23 HH12 ARG 23 7.869 -1.090 -0.397 187 HH21 ARG 23 HH22 ARG 23 4.920 -1.328 1.625 188 HH22 ARG 23 HH21 ARG 23 5.728 -0.364 0.412 189 H GLY 24 H GLY 24 13.622 -4.134 3.641 190 HA2 GLY 24 HA2 GLY 24 15.318 -5.220 4.677 191 HA3 GLY 24 HA3 GLY 24 14.365 -5.257 6.161 192 H PHE 25 H PHE 25 12.763 -6.552 3.404 193 HA PHE 25 HA PHE 25 13.245 -9.374 4.226 194 HB2 PHE 25 HB2 PHE 25 11.334 -8.132 2.214 195 HB3 PHE 25 HB3 PHE 25 11.521 -9.865 2.476 196 HD1 PHE 25 HD1 PHE 25 10.629 -6.695 4.188 197 HD2 PHE 25 HD2 PHE 25 10.139 -10.973 4.163 198 HE1 PHE 25 HE1 PHE 25 9.105 -6.521 6.122 199 HE2 PHE 25 HE2 PHE 25 8.650 -10.804 6.108 200 HZ PHE 25 HZ PHE 25 8.115 -8.583 7.113 201 H ASP 26 H ASP 26 13.319 -10.650 1.793 202 HA ASP 26 HA ASP 26 15.414 -9.365 0.131 203 HB2 ASP 26 HB2 ASP 26 16.305 -11.140 1.972 204 HB3 ASP 26 HB3 ASP 26 15.612 -12.264 0.852 205 H ARG 27 H ARG 27 15.149 -10.072 -2.063 206 HA ARG 27 HA ARG 27 12.563 -10.992 -2.799 207 HB2 ARG 27 HB2 ARG 27 13.413 -11.139 -5.062 208 HB3 ARG 27 HB3 ARG 27 14.064 -9.694 -4.283 209 HG2 ARG 27 HG2 ARG 27 16.204 -10.966 -3.842 210 HG3 ARG 27 HG3 ARG 27 15.536 -12.314 -4.785 211 HD2 ARG 27 HD2 ARG 27 15.392 -10.868 -6.772 212 HD3 ARG 27 HD3 ARG 27 16.012 -9.497 -5.826 213 HE ARG 27 HE ARG 27 17.779 -11.755 -5.629 214 HH11 ARG 27 HH11 ARG 27 16.869 -9.188 -7.911 215 HH12 ARG 27 HH12 ARG 27 18.413 -9.145 -8.694 216 HH21 ARG 27 HH21 ARG 27 19.825 -11.713 -6.681 217 HH22 ARG 27 HH22 ARG 27 20.114 -10.624 -7.988 218 H GLU 28 H GLU 28 15.542 -12.832 -2.059 219 HA GLU 28 HA GLU 28 14.354 -15.348 -3.000 220 HB2 GLU 28 HB2 GLU 28 16.828 -14.742 -1.355 221 HB3 GLU 28 HB3 GLU 28 16.316 -16.358 -1.803 222 HG2 GLU 28 HG2 GLU 28 16.369 -15.661 -4.223 223 HG3 GLU 28 HG3 GLU 28 17.068 -14.127 -3.715 224 H GLU 29 H GLU 29 14.861 -13.674 0.122 225 HA GLU 29 HA GLU 29 14.088 -15.848 1.756 226 HB2 GLU 29 HB2 GLU 29 14.053 -12.834 2.184 227 HB3 GLU 29 HB3 GLU 29 13.711 -13.898 3.481 228 HG2 GLU 29 HG2 GLU 29 16.298 -14.265 1.953 229 HG3 GLU 29 HG3 GLU 29 16.085 -13.033 3.180 230 H ILE 30 H ILE 30 12.203 -13.276 0.330 231 HA ILE 30 HA ILE 30 9.643 -13.875 1.413 232 HB ILE 30 HB ILE 30 10.397 -12.927 -1.359 233 HG12 ILE 30 HG12 ILE 30 10.884 -11.504 0.818 234 HG13 ILE 30 HG13 ILE 30 10.315 -10.823 -0.684 235 HG21 ILE 30 HG21 ILE 30 8.060 -12.069 -1.571 236 HG22 ILE 30 HG22 ILE 30 8.175 -13.827 -1.597 237 HG23 ILE 30 HG23 ILE 30 7.615 -13.013 -0.123 238 HD11 ILE 30 HD11 ILE 30 9.227 -9.847 1.360 239 HD12 ILE 30 HD12 ILE 30 8.044 -10.545 0.264 240 HD13 ILE 30 HD13 ILE 30 8.535 -11.437 1.729 241 H TRP 31 H TRP 31 11.356 -15.436 -1.394 242 HA TRP 31 HA TRP 31 9.122 -17.181 -1.950 243 HB2 TRP 31 HB2 TRP 31 12.031 -17.473 -2.708 244 HB3 TRP 31 HB3 TRP 31 10.724 -18.454 -3.322 245 HD1 TRP 31 HD1 TRP 31 12.823 -16.061 -4.636 246 HE1 TRP 31 HE1 TRP 31 11.815 -14.642 -6.501 247 HE3 TRP 31 HE3 TRP 31 7.857 -16.987 -3.749 248 HZ2 TRP 31 HZ2 TRP 31 9.180 -14.001 -7.501 249 HZ3 TRP 31 HZ3 TRP 31 6.135 -15.979 -5.176 250 HH2 TRP 31 HH2 TRP 31 6.758 -14.521 -7.099 251 H TYR 32 H TYR 32 11.669 -17.328 0.433 252 HA TYR 32 HA TYR 32 11.337 -20.276 0.680 253 HB2 TYR 32 HB2 TYR 32 13.739 -18.485 1.182 254 HB3 TYR 32 HB3 TYR 32 13.729 -20.234 1.331 255 HD1 TYR 32 HD1 TYR 32 12.345 -21.261 -1.001 256 HD2 TYR 32 HD2 TYR 32 15.122 -17.978 -0.655 257 HE1 TYR 32 HE1 TYR 32 12.912 -21.494 -3.380 258 HE2 TYR 32 HE2 TYR 32 15.645 -18.149 -3.046 259 HH TYR 32 HH TYR 32 15.275 -19.334 -5.052 260 H ASN 33 H ASN 33 10.337 -17.664 2.467 261 HA ASN 33 HA ASN 33 10.461 -19.203 5.020 262 HB2 ASN 33 HB2 ASN 33 10.887 -16.226 4.512 263 HB3 ASN 33 HB3 ASN 33 10.658 -16.938 6.086 264 HD21 ASN 33 HD22 ASN 33 12.756 -16.549 3.378 265 HD22 ASN 33 HD21 ASN 33 14.274 -16.944 4.185 266 H ARG 34 H ARG 34 8.278 -19.936 4.397 267 HA ARG 34 HA ARG 34 6.346 -18.544 3.106 268 HB2 ARG 34 HB2 ARG 34 6.186 -20.897 3.585 269 HB3 ARG 34 HB3 ARG 34 5.963 -20.589 5.317 270 HG2 ARG 34 HG2 ARG 34 3.797 -19.589 4.956 271 HG3 ARG 34 HG3 ARG 34 4.033 -19.550 3.199 272 HD2 ARG 34 HD2 ARG 34 4.045 -22.024 3.147 273 HD3 ARG 34 HD3 ARG 34 3.888 -22.063 4.920 274 HE ARG 34 HE ARG 34 1.760 -20.512 3.843 275 HH11 ARG 34 HH11 ARG 34 2.799 -23.913 3.943 276 HH12 ARG 34 HH12 ARG 34 1.198 -24.553 3.816 277 HH21 ARG 34 HH21 ARG 34 -0.370 -21.361 3.672 278 HH22 ARG 34 HH22 ARG 34 -0.639 -23.064 3.649 279 H GLU 35 H GLU 35 6.872 -18.271 6.659 280 HA GLU 35 HA GLU 35 4.430 -16.729 6.934 281 HB2 GLU 35 HB2 GLU 35 5.073 -16.440 9.255 282 HB3 GLU 35 HB3 GLU 35 5.152 -18.131 8.797 283 HG2 GLU 35 HG2 GLU 35 7.616 -16.337 8.966 284 HG3 GLU 35 HG3 GLU 35 6.978 -17.232 10.327 285 H ARG 36 H ARG 36 7.813 -15.998 6.290 286 HA ARG 36 HA ARG 36 7.490 -13.122 6.828 287 HB2 ARG 36 HB2 ARG 36 9.754 -14.699 5.588 288 HB3 ARG 36 HB3 ARG 36 9.747 -12.990 5.881 289 HG2 ARG 36 HG2 ARG 36 9.888 -15.230 7.893 290 HG3 ARG 36 HG3 ARG 36 10.949 -13.836 7.685 291 HD2 ARG 36 HD2 ARG 36 9.135 -12.337 8.539 292 HD3 ARG 36 HD3 ARG 36 8.125 -13.771 8.822 293 HE ARG 36 HE ARG 36 10.694 -13.983 10.109 294 HH11 ARG 36 HH21 ARG 36 7.414 -12.537 10.472 295 HH12 ARG 36 HH22 ARG 36 7.518 -12.491 12.197 296 HH21 ARG 36 HH11 ARG 36 10.773 -13.900 12.404 297 HH22 ARG 36 HH12 ARG 36 9.453 -13.267 13.314 298 H SER 37 H SER 37 7.003 -15.423 4.175 299 HA SER 37 HA SER 37 6.889 -13.402 2.131 300 HB2 SER 37 HB2 SER 37 4.930 -15.659 2.035 301 HB3 SER 37 HB3 SER 37 5.948 -14.996 0.760 302 HG SER 37 HG SER 37 7.589 -16.239 1.388 303 H GLU 38 H GLU 38 4.438 -14.878 4.333 304 HA GLU 38 HA GLU 38 2.190 -13.696 3.434 305 HB2 GLU 38 HB2 GLU 38 2.783 -15.468 5.347 306 HB3 GLU 38 HB3 GLU 38 2.484 -14.071 6.399 307 HG2 GLU 38 HG2 GLU 38 0.291 -13.768 5.242 308 HG3 GLU 38 HG3 GLU 38 0.606 -15.207 4.277 309 H GLU 39 H GLU 39 4.536 -12.094 5.603 310 HA GLU 39 HA GLU 39 2.979 -10.025 6.604 311 HB2 GLU 39 HB2 GLU 39 5.808 -9.514 5.712 312 HB3 GLU 39 HB3 GLU 39 5.040 -9.033 7.207 313 HG2 GLU 39 HG2 GLU 39 5.993 -11.819 6.540 314 HG3 GLU 39 HG3 GLU 39 6.881 -10.631 7.395 315 H LEU 40 H LEU 40 4.509 -10.391 3.472 316 HA LEU 40 HA LEU 40 4.309 -7.725 2.475 317 HB2 LEU 40 HB2 LEU 40 5.688 -9.537 1.496 318 HB3 LEU 40 HB3 LEU 40 4.230 -10.403 1.085 319 HG LEU 40 HG LEU 40 5.714 -8.563 -0.469 320 HD11 LEU 40 HD11 LEU 40 4.797 -10.672 -1.216 321 HD12 LEU 40 HD12 LEU 40 3.148 -10.034 -1.100 322 HD13 LEU 40 HD13 LEU 40 4.309 -9.344 -2.268 323 HD21 LEU 40 HD21 LEU 40 4.154 -6.979 -1.326 324 HD22 LEU 40 HD22 LEU 40 2.834 -7.611 -0.373 325 HD23 LEU 40 HD23 LEU 40 4.187 -6.740 0.417 326 H PHE 41 H PHE 41 2.260 -10.585 2.043 327 HA PHE 41 HA PHE 41 0.245 -9.366 0.510 328 HB2 PHE 41 HB2 PHE 41 0.063 -11.852 2.246 329 HB3 PHE 41 HB3 PHE 41 -0.986 -11.446 0.899 330 HD1 PHE 41 HD2 PHE 41 2.469 -12.349 1.857 331 HD2 PHE 41 HD1 PHE 41 -0.223 -11.789 -1.438 332 HE1 PHE 41 HE2 PHE 41 4.140 -13.377 0.325 333 HE2 PHE 41 HE1 PHE 41 1.432 -12.858 -2.959 334 HZ PHE 41 HZ PHE 41 3.611 -13.641 -2.089 335 H TRP 42 H TRP 42 0.622 -9.874 4.037 336 HA TRP 42 HA TRP 42 -1.911 -8.811 4.799 337 HB2 TRP 42 HB2 TRP 42 0.764 -9.162 6.170 338 HB3 TRP 42 HB3 TRP 42 -0.509 -8.258 6.957 339 HD1 TRP 42 HD1 TRP 42 0.694 -11.687 6.657 340 HE1 TRP 42 HE1 TRP 42 -1.013 -13.418 7.409 341 HE3 TRP 42 HE3 TRP 42 -3.430 -8.661 6.818 342 HZ2 TRP 42 HZ2 TRP 42 -3.883 -13.492 7.952 343 HZ3 TRP 42 HZ3 TRP 42 -5.649 -9.599 7.400 344 HH2 TRP 42 HH2 TRP 42 -5.894 -12.009 7.956 345 H GLU 43 H GLU 43 1.209 -7.076 3.975 346 HA GLU 43 HA GLU 43 0.243 -4.607 5.048 347 HB2 GLU 43 HB2 GLU 43 2.674 -5.262 4.581 348 HB3 GLU 43 HB3 GLU 43 2.325 -5.007 2.859 349 HG2 GLU 43 HG2 GLU 43 1.511 -2.670 3.513 350 HG3 GLU 43 HG3 GLU 43 2.183 -2.964 5.117 351 H VAL 44 H VAL 44 0.142 -6.118 1.735 352 HA VAL 44 HA VAL 44 -0.898 -3.750 0.539 353 HB VAL 44 HB VAL 44 -1.516 -5.309 -1.299 354 HG11 VAL 44 HG11 VAL 44 1.359 -5.616 -0.302 355 HG12 VAL 44 HG12 VAL 44 0.811 -5.632 -1.990 356 HG13 VAL 44 HG13 VAL 44 0.735 -4.127 -1.060 357 HG21 VAL 44 HG21 VAL 44 -0.118 -7.368 0.361 358 HG22 VAL 44 HG22 VAL 44 -1.837 -7.424 -0.140 359 HG23 VAL 44 HG23 VAL 44 -0.556 -7.568 -1.325 360 H MET 45 H MET 45 -2.447 -6.674 1.812 361 HA MET 45 HA MET 45 -5.150 -6.009 1.317 362 HB2 MET 45 HB2 MET 45 -3.693 -7.541 3.494 363 HB3 MET 45 HB3 MET 45 -5.418 -7.249 3.614 364 HG2 MET 45 HG2 MET 45 -4.136 -8.493 1.166 365 HG3 MET 45 HG3 MET 45 -4.752 -9.417 2.533 366 HE1 MET 45 HE1 MET 45 -5.565 -8.518 -0.928 367 HE2 MET 45 HE2 MET 45 -5.789 -10.158 -0.264 368 HE3 MET 45 HE3 MET 45 -7.179 -9.258 -0.920 369 H ASP 46 H ASP 46 -2.999 -5.124 4.056 370 HA ASP 46 HA ASP 46 -4.941 -3.639 5.496 371 HB2 ASP 46 HB2 ASP 46 -2.821 -4.343 6.489 372 HB3 ASP 46 HB3 ASP 46 -1.912 -3.307 5.413 373 H GLU 47 H GLU 47 -2.676 -2.620 2.925 374 HA GLU 47 HA GLU 47 -3.198 0.142 3.012 375 HB2 GLU 47 HB2 GLU 47 -1.170 -0.667 2.154 376 HB3 GLU 47 HB3 GLU 47 -1.940 -1.909 1.197 377 HG2 GLU 47 HG2 GLU 47 -1.001 -0.351 -0.215 378 HG3 GLU 47 HG3 GLU 47 -2.750 -0.358 -0.398 379 H VAL 48 H VAL 48 -5.237 -2.437 1.925 380 HA VAL 48 HA VAL 48 -6.944 -0.474 0.445 381 HB VAL 48 HB VAL 48 -7.678 -2.192 -1.042 382 HG11 VAL 48 HG11 VAL 48 -5.607 -0.943 -1.620 383 HG12 VAL 48 HG12 VAL 48 -4.642 -2.270 -0.941 384 HG13 VAL 48 HG13 VAL 48 -5.674 -2.557 -2.359 385 HG21 VAL 48 HG21 VAL 48 -6.766 -4.456 -1.134 386 HG22 VAL 48 HG22 VAL 48 -5.749 -4.135 0.276 387 HG23 VAL 48 HG23 VAL 48 -7.504 -4.183 0.443 388 H HIS 49 H HIS 49 -6.705 -2.177 3.262 389 HA HIS 49 HA HIS 49 -8.915 -3.702 3.283 390 HB2 HIS 49 HB2 HIS 49 -6.962 -3.135 5.106 391 HB3 HIS 49 HB3 HIS 49 -8.356 -2.493 5.940 392 HD1 HIS 49 HD1 HIS 49 -9.464 -4.388 7.419 393 HD2 HIS 49 HD2 HIS 49 -7.518 -5.742 3.942 394 HE1 HIS 49 HE1 HIS 49 -9.668 -6.929 7.427 395 H GLU 50 H GLU 50 -9.121 -0.223 3.572 396 HA GLU 50 HA GLU 50 -11.670 -0.040 4.838 397 HB2 GLU 50 HB2 GLU 50 -10.359 1.743 2.743 398 HB3 GLU 50 HB3 GLU 50 -11.843 2.140 3.619 399 HG2 GLU 50 HG2 GLU 50 -10.603 1.966 5.782 400 HG3 GLU 50 HG3 GLU 50 -9.110 1.677 4.894 401 H GLU 51 H GLU 51 -10.788 -1.243 1.672 402 HA GLU 51 HA GLU 51 -13.609 -1.184 0.745 403 HB2 GLU 51 HB2 GLU 51 -10.977 -1.620 -0.709 404 HB3 GLU 51 HB3 GLU 51 -12.574 -1.833 -1.438 405 HG2 GLU 51 HG2 GLU 51 -13.185 0.462 -1.062 406 HG3 GLU 51 HG3 GLU 51 -11.698 0.771 -0.174 407 H GLU 52 H GLU 52 -11.768 -3.143 2.642 408 HA GLU 52 HA GLU 52 -12.713 -5.712 1.449 409 HB2 GLU 52 HB2 GLU 52 -10.292 -5.199 3.132 410 HB3 GLU 52 HB3 GLU 52 -10.764 -6.731 2.464 411 HG2 GLU 52 HG2 GLU 52 -9.867 -4.284 0.906 412 HG3 GLU 52 HG3 GLU 52 -9.008 -5.789 1.164 413 H GLU 53 H GLU 53 -12.613 -3.681 4.345 414 HA GLU 53 HA GLU 53 -12.872 -5.594 6.313 415 HB2 GLU 53 HB2 GLU 53 -13.706 -3.786 7.738 416 HB3 GLU 53 HB3 GLU 53 -12.327 -3.283 6.762 417 HG2 GLU 53 HG2 GLU 53 -13.791 -2.063 5.218 418 HG3 GLU 53 HG3 GLU 53 -15.228 -2.658 6.053 419 H PHE 54 H PHE 54 -15.337 -4.739 4.052 420 HA PHE 54 HA PHE 54 -17.479 -6.047 5.661 421 HB2 PHE 54 HB2 PHE 54 -18.986 -5.043 3.953 422 HB3 PHE 54 HB3 PHE 54 -18.084 -3.876 4.898 423 HD1 PHE 54 HD1 PHE 54 -18.272 -5.530 1.539 424 HD2 PHE 54 HD2 PHE 54 -16.589 -2.299 3.857 425 HE1 PHE 54 HE1 PHE 54 -17.403 -4.484 -0.536 426 HE2 PHE 54 HE2 PHE 54 -15.745 -1.252 1.777 427 HZ PHE 54 HZ PHE 54 -16.137 -2.347 -0.425 428 H ALA 55 H ALA 55 -15.093 -7.048 3.651 429 HA ALA 55 HA ALA 55 -16.629 -9.313 2.561 430 HB1 ALA 55 HB1 ALA 55 -15.687 -8.990 0.325 431 HB2 ALA 55 HB2 ALA 55 -16.653 -7.581 0.784 432 HB3 ALA 55 HB3 ALA 55 -14.877 -7.483 0.850 433 H VAL 56 H VAL 56 -14.942 -9.221 4.799 434 HA VAL 56 HA VAL 56 -12.715 -10.945 3.883 435 HB VAL 56 HB VAL 56 -11.669 -8.956 4.596 436 HG11 VAL 56 HG11 VAL 56 -13.044 -9.169 7.299 437 HG12 VAL 56 HG12 VAL 56 -11.821 -7.981 6.804 438 HG13 VAL 56 HG13 VAL 56 -13.420 -7.977 6.046 439 HG21 VAL 56 HG21 VAL 56 -11.398 -11.059 6.778 440 HG22 VAL 56 HG22 VAL 56 -10.661 -11.156 5.174 441 HG23 VAL 56 HG23 VAL 56 -10.175 -9.861 6.289 442 H GLU 57 H GLU 57 -14.591 -12.285 3.800 443 HA GLU 57 HA GLU 57 -15.144 -13.731 6.302 444 HB2 GLU 57 HB2 GLU 57 -17.581 -13.375 5.967 445 HB3 GLU 57 HB3 GLU 57 -16.717 -11.962 6.504 446 HG2 GLU 57 HG2 GLU 57 -16.920 -10.819 4.485 447 HG3 GLU 57 HG3 GLU 57 -17.202 -12.261 3.533 448 H GLY 58 H GLY 58 -13.655 -14.447 4.076 449 HA2 GLY 58 HA2 GLY 58 -14.965 -16.787 2.970 450 HA3 GLY 58 HA3 GLY 58 -14.748 -15.476 1.804 451 HA PRO 59 HA PRO 59 -10.805 -17.994 2.216 452 HB2 PRO 59 HB2 PRO 59 -10.569 -18.839 -0.367 453 HB3 PRO 59 HB3 PRO 59 -11.590 -19.662 0.846 454 HG2 PRO 59 HG2 PRO 59 -12.454 -17.634 -1.244 455 HG3 PRO 59 HG3 PRO 59 -13.188 -19.223 -0.832 456 HD2 PRO 59 HD2 PRO 59 -14.153 -16.891 0.158 457 HD3 PRO 59 HD3 PRO 59 -14.169 -18.420 1.086 458 H LEU 60 H LEU 60 -8.756 -17.656 0.867 459 HA LEU 60 HA LEU 60 -8.608 -15.138 -0.658 460 HB2 LEU 60 HB2 LEU 60 -6.940 -15.810 1.802 461 HB3 LEU 60 HB3 LEU 60 -6.315 -14.765 0.538 462 HG LEU 60 HG LEU 60 -8.862 -14.181 2.106 463 HD11 LEU 60 HD11 LEU 60 -7.519 -12.479 3.268 464 HD12 LEU 60 HD12 LEU 60 -6.871 -14.100 3.547 465 HD13 LEU 60 HD13 LEU 60 -6.063 -13.010 2.398 466 HD21 LEU 60 HD21 LEU 60 -8.600 -11.886 1.159 467 HD22 LEU 60 HD22 LEU 60 -7.234 -12.454 0.175 468 HD23 LEU 60 HD23 LEU 60 -8.871 -13.078 -0.113 469 H TRP 61 H TRP 61 -6.792 -15.100 -2.049 470 HA TRP 61 HA TRP 61 -5.697 -17.749 -2.857 471 HB2 TRP 61 HB2 TRP 61 -7.470 -15.813 -4.344 472 HB3 TRP 61 HB3 TRP 61 -6.718 -17.135 -5.148 473 HD1 TRP 61 HD1 TRP 61 -9.631 -16.177 -2.896 474 HE1 TRP 61 HE1 TRP 61 -11.358 -18.084 -2.862 475 HE3 TRP 61 HE3 TRP 61 -6.909 -19.748 -5.289 476 HZ2 TRP 61 HZ2 TRP 61 -11.494 -20.867 -3.677 477 HZ3 TRP 61 HZ3 TRP 61 -7.846 -22.040 -5.660 478 HH2 TRP 61 HH2 TRP 61 -10.133 -22.598 -4.853 479 H ILE 62 H ILE 62 -3.826 -17.448 -4.223 480 HA ILE 62 HA ILE 62 -2.911 -14.659 -4.678 481 HB ILE 62 HB ILE 62 -1.075 -16.857 -3.711 482 HG12 ILE 62 HG12 ILE 62 -2.640 -16.644 -1.843 483 HG13 ILE 62 HG13 ILE 62 -1.002 -16.185 -1.472 484 HG21 ILE 62 HG21 ILE 62 0.017 -14.969 -4.793 485 HG22 ILE 62 HG22 ILE 62 -0.773 -13.819 -3.706 486 HG23 ILE 62 HG23 ILE 62 0.404 -14.992 -3.077 487 HD11 ILE 62 HD11 ILE 62 -1.600 -13.795 -1.473 488 HD12 ILE 62 HD12 ILE 62 -3.278 -14.201 -1.886 489 HD13 ILE 62 HD13 ILE 62 -2.591 -14.729 -0.346 490 H GLN 63 H GLN 63 -1.800 -14.409 -6.605 491 HA GLN 63 HA GLN 63 -0.651 -16.759 -7.978 492 HB2 GLN 63 HB2 GLN 63 -2.805 -16.396 -9.071 493 HB3 GLN 63 HB3 GLN 63 -2.489 -14.673 -9.252 494 HG2 GLN 63 HG2 GLN 63 -0.661 -15.117 -10.820 495 HG3 GLN 63 HG3 GLN 63 -0.867 -16.866 -10.618 496 HE21 GLN 63 HE22 GLN 63 -1.289 -14.758 -12.964 497 HE22 GLN 63 HE21 GLN 63 -2.834 -15.240 -13.619 498 H VAL 64 H VAL 64 1.353 -16.095 -9.119 499 HA VAL 64 HA VAL 64 2.264 -13.317 -8.640 500 HB VAL 64 HB VAL 64 2.464 -14.717 -6.527 501 HG11 VAL 64 HG11 VAL 64 3.284 -16.821 -7.660 502 HG12 VAL 64 HG12 VAL 64 4.832 -15.998 -7.945 503 HG13 VAL 64 HG13 VAL 64 4.242 -16.278 -6.285 504 HG21 VAL 64 HG21 VAL 64 4.595 -13.711 -5.943 505 HG22 VAL 64 HG22 VAL 64 4.966 -13.428 -7.664 506 HG23 VAL 64 HG23 VAL 64 3.600 -12.608 -6.916 507 H GLN 65 H GLN 65 4.223 -12.763 -9.831 508 HA GLN 65 HA GLN 65 5.633 -14.987 -11.096 509 HB2 GLN 65 HB2 GLN 65 5.740 -13.703 -13.250 510 HB3 GLN 65 HB3 GLN 65 4.224 -14.543 -12.967 511 HG2 GLN 65 HG2 GLN 65 4.466 -11.616 -12.202 512 HG3 GLN 65 HG3 GLN 65 4.321 -12.061 -13.887 513 HE21 GLN 65 HE22 GLN 65 2.535 -11.660 -10.919 514 HE22 GLN 65 HE21 GLN 65 0.994 -12.104 -11.639 515 H ALA 66 H ALA 66 7.739 -14.396 -11.601 516 HA ALA 66 HA ALA 66 8.793 -11.922 -10.323 517 HB1 ALA 66 HB1 ALA 66 10.233 -14.309 -11.579 518 HB2 ALA 66 HB2 ALA 66 10.995 -12.932 -10.758 519 HB3 ALA 66 HB3 ALA 66 9.968 -14.055 -9.839 520 H LEU 67 H LEU 67 9.750 -10.366 -11.540 521 HA LEU 67 HA LEU 67 9.755 -10.475 -14.512 522 HB2 LEU 67 HB2 LEU 67 9.006 -8.169 -12.644 523 HB3 LEU 67 HB3 LEU 67 9.169 -8.046 -14.378 524 HG LEU 67 HG LEU 67 7.390 -10.165 -14.202 525 HD11 LEU 67 HD11 LEU 67 7.160 -9.986 -11.820 526 HD12 LEU 67 HD12 LEU 67 6.698 -8.272 -11.974 527 HD13 LEU 67 HD13 LEU 67 5.661 -9.558 -12.642 528 HD21 LEU 67 HD21 LEU 67 6.672 -7.202 -14.190 529 HD22 LEU 67 HD22 LEU 67 7.119 -8.148 -15.637 530 HD23 LEU 67 HD23 LEU 67 5.630 -8.532 -14.748 531 H ASP 68 H ASP 68 11.195 -8.306 -15.111 532 HA ASP 68 HA ASP 68 13.747 -9.306 -14.725 533 HB2 ASP 68 HB2 ASP 68 13.004 -7.890 -16.622 534 HB3 ASP 68 HB3 ASP 68 13.053 -6.475 -15.562 535 H LYS 69 H LYS 69 12.221 -6.714 -12.828 536 HA LYS 69 HA LYS 69 14.508 -6.794 -10.931 537 HB2 LYS 69 HB2 LYS 69 13.301 -4.288 -12.085 538 HB3 LYS 69 HB3 LYS 69 14.436 -4.298 -10.742 539 HG2 LYS 69 HG2 LYS 69 15.066 -5.295 -13.532 540 HG3 LYS 69 HG3 LYS 69 15.481 -3.727 -12.884 541 HD2 LYS 69 HD2 LYS 69 16.864 -4.779 -11.109 542 HD3 LYS 69 HD3 LYS 69 16.522 -6.373 -11.747 543 HE2 LYS 69 HE2 LYS 69 17.842 -4.157 -13.377 544 HE3 LYS 69 HE3 LYS 69 18.735 -5.362 -12.447 545 HZ1 LYS 69 HZ1 LYS 69 17.714 -7.098 -13.807 546 HZ2 LYS 69 HZ2 LYS 69 16.891 -5.993 -14.698 547 HZ3 LYS 69 HZ3 LYS 69 18.532 -6.033 -14.745 548 H GLY 70 H GLY 70 11.734 -7.934 -10.816 549 HA2 GLY 70 HA2 GLY 70 10.954 -7.145 -8.185 550 HA3 GLY 70 HA3 GLY 70 10.011 -6.235 -9.343 551 H LEU 71 H LEU 71 8.262 -7.456 -8.258 552 HA LEU 71 HA LEU 71 7.602 -9.966 -9.749 553 HB2 LEU 71 HB2 LEU 71 6.976 -9.261 -6.835 554 HB3 LEU 71 HB3 LEU 71 6.236 -10.579 -7.731 555 HG LEU 71 HG LEU 71 8.327 -11.819 -7.763 556 HD11 LEU 71 HD11 LEU 71 10.127 -11.147 -6.128 557 HD12 LEU 71 HD12 LEU 71 10.072 -10.153 -7.578 558 HD13 LEU 71 HD13 LEU 71 9.387 -9.520 -6.057 559 HD21 LEU 71 HD21 LEU 71 8.258 -12.336 -5.312 560 HD22 LEU 71 HD22 LEU 71 7.401 -10.815 -5.016 561 HD23 LEU 71 HD23 LEU 71 6.637 -12.102 -5.966 562 H GLU 72 H GLU 72 5.446 -10.051 -10.342 563 HA GLU 72 HA GLU 72 3.637 -7.870 -9.395 564 HB2 GLU 72 HB2 GLU 72 3.345 -9.625 -11.862 565 HB3 GLU 72 HB3 GLU 72 1.978 -8.902 -11.057 566 HG2 GLU 72 HG2 GLU 72 2.923 -6.628 -11.394 567 HG3 GLU 72 HG3 GLU 72 4.200 -7.350 -12.385 568 H ILE 73 H ILE 73 1.968 -8.502 -8.194 569 HA ILE 73 HA ILE 73 1.619 -11.363 -7.563 570 HB ILE 73 HB ILE 73 1.408 -9.016 -5.660 571 HG12 ILE 73 HG12 ILE 73 3.276 -9.832 -4.321 572 HG13 ILE 73 HG13 ILE 73 3.712 -11.009 -5.496 573 HG21 ILE 73 HG21 ILE 73 -0.043 -10.935 -5.117 574 HG22 ILE 73 HG22 ILE 73 1.362 -12.022 -5.166 575 HG23 ILE 73 HG23 ILE 73 1.213 -10.762 -3.910 576 HD11 ILE 73 HD11 ILE 73 4.514 -9.330 -6.994 577 HD12 ILE 73 HD12 ILE 73 3.668 -8.031 -6.137 578 HD13 ILE 73 HD13 ILE 73 5.062 -8.835 -5.388 579 H ILE 74 H ILE 74 -0.513 -11.914 -7.807 580 HA ILE 74 HA ILE 74 -2.660 -9.816 -7.865 581 HB ILE 74 HB ILE 74 -2.345 -12.442 -9.376 582 HG12 ILE 74 HG12 ILE 74 -2.924 -11.214 -11.384 583 HG13 ILE 74 HG13 ILE 74 -3.111 -9.715 -10.500 584 HG21 ILE 74 HG21 ILE 74 -4.684 -12.104 -10.206 585 HG22 ILE 74 HG22 ILE 74 -4.589 -12.478 -8.494 586 HG23 ILE 74 HG23 ILE 74 -4.884 -10.801 -9.010 587 HD11 ILE 74 HD11 ILE 74 -0.718 -9.524 -10.202 588 HD12 ILE 74 HD12 ILE 74 -0.475 -11.224 -10.706 589 HD13 ILE 74 HD13 ILE 74 -0.997 -9.980 -11.872 590 H VAL 75 H VAL 75 -4.369 -10.245 -6.333 591 HA VAL 75 HA VAL 75 -4.373 -12.878 -5.077 592 HB VAL 75 HB VAL 75 -4.764 -11.891 -2.821 593 HG11 VAL 75 HG11 VAL 75 -2.019 -11.168 -3.947 594 HG12 VAL 75 HG12 VAL 75 -2.437 -11.545 -2.262 595 HG13 VAL 75 HG13 VAL 75 -2.562 -12.797 -3.519 596 HG21 VAL 75 HG21 VAL 75 -3.873 -9.694 -2.325 597 HG22 VAL 75 HG22 VAL 75 -3.557 -9.390 -4.052 598 HG23 VAL 75 HG23 VAL 75 -5.242 -9.574 -3.473 599 H THR 76 H THR 76 -6.462 -13.618 -4.575 600 HA THR 76 HA THR 76 -8.589 -11.969 -5.852 601 HB THR 76 HB THR 76 -9.127 -13.668 -7.340 602 HG1 THR 76 HG1 THR 76 -8.462 -15.718 -7.328 603 HG21 THR 76 HG21 THR 76 -6.081 -13.994 -7.262 604 HG22 THR 76 HG22 THR 76 -7.149 -14.176 -8.668 605 HG23 THR 76 HG23 THR 76 -6.898 -12.577 -7.969 606 H LYS 77 H LYS 77 -10.784 -12.792 -5.501 607 HA LYS 77 HA LYS 77 -11.154 -14.863 -3.424 608 HB2 LYS 77 HB2 LYS 77 -12.542 -12.147 -3.633 609 HB3 LYS 77 HB3 LYS 77 -13.137 -13.485 -2.636 610 HG2 LYS 77 HG2 LYS 77 -10.979 -13.628 -1.484 611 HG3 LYS 77 HG3 LYS 77 -10.367 -12.251 -2.389 612 HD2 LYS 77 HD2 LYS 77 -12.876 -12.000 -0.724 613 HD3 LYS 77 HD3 LYS 77 -11.223 -11.994 -0.065 614 HE2 LYS 77 HE2 LYS 77 -10.596 -10.018 -1.092 615 HE3 LYS 77 HE3 LYS 77 -11.786 -10.153 -2.378 616 HZ1 LYS 77 HZ1 LYS 77 -12.151 -8.423 -0.574 617 HZ2 LYS 77 HZ2 LYS 77 -13.461 -9.330 -0.979 618 HZ3 LYS 77 HZ3 LYS 77 -12.637 -9.630 0.421 619 H ALA 78 H ALA 78 -13.434 -15.594 -3.427 620 HA ALA 78 HA ALA 78 -14.275 -16.572 -5.994 621 HB1 ALA 78 HB1 ALA 78 -15.804 -16.344 -3.355 622 HB2 ALA 78 HB2 ALA 78 -16.284 -17.318 -4.763 623 HB3 ALA 78 HB3 ALA 78 -14.811 -17.731 -3.866 624 H GLN 79 H GLN 79 -15.970 -15.879 -7.291 625 HA GLN 79 HA GLN 79 -16.579 -13.026 -7.297 626 HB2 GLN 79 HB2 GLN 79 -17.780 -13.522 -9.363 627 HB3 GLN 79 HB3 GLN 79 -16.153 -14.150 -9.415 628 HG2 GLN 79 HG2 GLN 79 -18.492 -15.968 -8.699 629 HG3 GLN 79 HG3 GLN 79 -18.125 -15.548 -10.365 630 HE21 GLN 79 HE22 GLN 79 -16.337 -16.525 -11.437 631 HE22 GLN 79 HE21 GLN 79 -15.337 -17.733 -10.669 632 H LEU 80 H LEU 80 -18.977 -12.437 -7.728 633 HA LEU 80 HA LEU 80 -20.817 -13.890 -5.908 634 HB2 LEU 80 HB2 LEU 80 -19.643 -11.955 -4.790 635 HB3 LEU 80 HB3 LEU 80 -20.391 -10.871 -5.962 636 HG LEU 80 HG LEU 80 -22.635 -11.415 -5.056 637 HD11 LEU 80 HD11 LEU 80 -21.146 -13.280 -3.151 638 HD12 LEU 80 HD12 LEU 80 -22.833 -12.758 -2.957 639 HD13 LEU 80 HD13 LEU 80 -22.383 -13.741 -4.344 640 HD21 LEU 80 HD21 LEU 80 -20.625 -10.722 -2.883 641 HD22 LEU 80 HD22 LEU 80 -21.332 -9.595 -4.056 642 HD23 LEU 80 HD23 LEU 80 -22.369 -10.375 -2.857 643 H SER 81 H SER 81 -20.695 -14.199 -8.700 644 HA SER 81 HA SER 81 -22.227 -12.386 -10.212 645 HB2 SER 81 HB2 SER 81 -22.460 -14.632 -11.647 646 HB3 SER 81 HB3 SER 81 -20.973 -13.689 -11.550 647 HG SER 81 HG SER 81 -20.719 -16.009 -11.187 648 H LYS 82 H LYS 82 -23.435 -14.620 -7.837 649 HA LYS 82 HA LYS 82 -26.062 -15.055 -8.825 650 HB2 LYS 82 HB2 LYS 82 -25.105 -14.497 -5.981 651 HB3 LYS 82 HB3 LYS 82 -26.735 -15.033 -6.406 652 HG2 LYS 82 HG2 LYS 82 -25.811 -17.093 -7.436 653 HG3 LYS 82 HG3 LYS 82 -24.175 -16.593 -6.973 654 HD2 LYS 82 HD2 LYS 82 -24.845 -16.610 -4.578 655 HD3 LYS 82 HD3 LYS 82 -26.483 -17.124 -5.045 656 HE2 LYS 82 HE2 LYS 82 -25.530 -19.183 -6.086 657 HE3 LYS 82 HE3 LYS 82 -23.905 -18.666 -5.615 658 HZ1 LYS 82 HZ1 LYS 82 -26.100 -19.303 -3.719 659 HZ2 LYS 82 HZ2 LYS 82 -24.823 -20.262 -4.048 660 HZ3 LYS 82 HZ3 LYS 82 -24.587 -18.842 -3.287 661 H ASP 83 H ASP 83 -24.545 -12.094 -7.591 662 HA ASP 83 HA ASP 83 -26.866 -10.503 -7.219 663 HB2 ASP 83 HB2 ASP 83 -24.558 -10.019 -6.401 664 HB3 ASP 83 HB3 ASP 83 -24.057 -9.704 -8.065 665 H LEU 84 H LEU 84 -25.812 -11.877 -10.119 666 HA LEU 84 HA LEU 84 -27.022 -9.763 -11.834 667 HB2 LEU 84 HB2 LEU 84 -24.496 -11.414 -12.304 668 HB3 LEU 84 HB3 LEU 84 -25.289 -10.443 -13.525 669 HG LEU 84 HG LEU 84 -24.085 -9.335 -10.944 670 HD11 LEU 84 HD11 LEU 84 -22.266 -8.511 -12.387 671 HD12 LEU 84 HD12 LEU 84 -22.366 -10.276 -12.447 672 HD13 LEU 84 HD13 LEU 84 -23.005 -9.311 -13.798 673 HD21 LEU 84 HD21 LEU 84 -24.285 -7.144 -12.133 674 HD22 LEU 84 HD22 LEU 84 -25.174 -7.958 -13.442 675 HD23 LEU 84 HD23 LEU 84 -25.861 -7.874 -11.805 676 H ASP 85 H ASP 85 -26.102 -13.230 -11.450 677 HA ASP 85 HA ASP 85 -27.695 -14.184 -13.622 678 HB2 ASP 85 HB2 ASP 85 -25.835 -15.449 -12.579 679 HB3 ASP 85 HB3 ASP 85 -26.778 -15.600 -11.090 680 H LYS 86 H LYS 86 -28.471 -13.379 -10.234 681 HA LYS 86 HA LYS 86 -31.210 -14.530 -10.557 682 HB2 LYS 86 HB2 LYS 86 -29.960 -13.554 -7.993 683 HB3 LYS 86 HB3 LYS 86 -31.489 -14.383 -8.217 684 HG2 LYS 86 HG2 LYS 86 -28.679 -15.461 -8.479 685 HG3 LYS 86 HG3 LYS 86 -29.985 -15.932 -7.389 686 HD2 LYS 86 HD2 LYS 86 -31.227 -16.948 -9.260 687 HD3 LYS 86 HD3 LYS 86 -29.918 -16.481 -10.373 688 HE2 LYS 86 HE2 LYS 86 -28.307 -17.708 -8.818 689 HE3 LYS 86 HE3 LYS 86 -29.736 -18.341 -7.993 690 HZ1 LYS 86 HZ1 LYS 86 -28.985 -18.704 -10.853 691 HZ2 LYS 86 HZ2 LYS 86 -28.917 -19.880 -9.708 692 HZ3 LYS 86 HZ3 LYS 86 -30.374 -19.313 -10.201 693 H LEU 87 H LEU 87 -33.020 -13.156 -9.826 694 HA LEU 87 HA LEU 87 -32.846 -10.414 -10.756 695 HB2 LEU 87 HB2 LEU 87 -34.969 -12.144 -9.428 696 HB3 LEU 87 HB3 LEU 87 -35.181 -10.429 -9.531 697 HG LEU 87 HG LEU 87 -36.399 -11.534 -11.271 698 HD11 LEU 87 HD11 LEU 87 -34.083 -10.002 -12.508 699 HD12 LEU 87 HD12 LEU 87 -35.724 -10.184 -13.146 700 HD13 LEU 87 HD13 LEU 87 -35.462 -9.263 -11.658 701 HD21 LEU 87 HD21 LEU 87 -35.371 -12.724 -13.113 702 HD22 LEU 87 HD22 LEU 87 -33.751 -12.479 -12.427 703 HD23 LEU 87 HD23 LEU 87 -34.933 -13.506 -11.582 704 H VAL 88 H VAL 88 -33.115 -8.549 -9.432 705 HA VAL 88 HA VAL 88 -32.716 -8.775 -6.527 706 HB VAL 88 HB VAL 88 -30.873 -7.178 -6.537 707 HG11 VAL 88 HG11 VAL 88 -29.059 -8.523 -7.317 708 HG12 VAL 88 HG12 VAL 88 -30.297 -9.594 -6.642 709 HG13 VAL 88 HG13 VAL 88 -30.102 -9.440 -8.403 710 HG21 VAL 88 HG21 VAL 88 -30.945 -7.277 -9.570 711 HG22 VAL 88 HG22 VAL 88 -31.375 -5.901 -8.523 712 HG23 VAL 88 HG23 VAL 88 -29.707 -6.485 -8.566 713 HA PRO 89 HA PRO 89 -35.730 -5.616 -6.744 714 HB2 PRO 89 HB2 PRO 89 -35.359 -4.090 -4.508 715 HB3 PRO 89 HB3 PRO 89 -35.867 -5.807 -4.443 716 HG2 PRO 89 HG2 PRO 89 -33.098 -4.647 -4.072 717 HG3 PRO 89 HG3 PRO 89 -33.926 -5.893 -3.087 718 HD2 PRO 89 HD2 PRO 89 -32.124 -6.453 -5.071 719 HD3 PRO 89 HD3 PRO 89 -33.452 -7.566 -4.681 720 H ARG 90 H ARG 90 -36.215 -3.298 -6.947 721 HA ARG 90 HA ARG 90 -34.384 -1.862 -8.638 722 HB2 ARG 90 HB2 ARG 90 -36.934 -1.021 -7.180 723 HB3 ARG 90 HB3 ARG 90 -36.009 0.028 -8.241 724 HG2 ARG 90 HG2 ARG 90 -37.823 -0.795 -9.528 725 HG3 ARG 90 HG3 ARG 90 -36.342 -1.532 -10.133 726 HD2 ARG 90 HD2 ARG 90 -38.253 -3.077 -10.123 727 HD3 ARG 90 HD3 ARG 90 -36.907 -3.664 -9.144 728 HE ARG 90 HE ARG 90 -38.843 -2.157 -7.588 729 HH11 ARG 90 HH11 ARG 90 -38.381 -5.364 -9.067 730 HH12 ARG 90 HH12 ARG 90 -39.428 -6.175 -7.959 731 HH21 ARG 90 HH21 ARG 90 -40.218 -3.244 -6.108 732 HH22 ARG 90 HH22 ARG 90 -40.494 -4.941 -6.242 Start of MODEL 6 1 H1 MET 1 H1 MET 1 6.764 1.236 -5.478 2 H2 MET 1 H2 MET 1 7.725 -0.083 -5.314 3 H3 MET 1 H3 MET 1 7.023 0.264 -6.768 4 HA MET 1 HA MET 1 5.792 -1.525 -5.822 5 HB2 MET 1 HB2 MET 1 6.501 -1.165 -3.488 6 HB3 MET 1 HB3 MET 1 5.540 0.286 -3.398 7 HG2 MET 1 HG2 MET 1 4.357 -1.382 -2.241 8 HG3 MET 1 HG3 MET 1 3.476 -1.229 -3.753 9 HE1 MET 1 HE1 MET 1 3.377 -5.091 -2.532 10 HE2 MET 1 HE2 MET 1 3.314 -3.601 -1.577 11 HE3 MET 1 HE3 MET 1 2.327 -3.758 -3.058 12 H GLU 2 H GLU 2 3.551 -1.691 -6.286 13 HA GLU 2 HA GLU 2 2.173 0.789 -7.195 14 HB2 GLU 2 HB2 GLU 2 3.854 -0.923 -8.774 15 HB3 GLU 2 HB3 GLU 2 2.280 -1.522 -9.086 16 HG2 GLU 2 HG2 GLU 2 1.471 0.754 -9.704 17 HG3 GLU 2 HG3 GLU 2 3.074 1.407 -9.352 18 H ILE 3 H ILE 3 -0.148 0.472 -7.006 19 HA ILE 3 HA ILE 3 -1.089 -2.245 -6.180 20 HB ILE 3 HB ILE 3 -2.192 0.412 -5.265 21 HG12 ILE 3 HG12 ILE 3 -0.010 0.198 -4.225 22 HG13 ILE 3 HG13 ILE 3 -1.320 -0.042 -3.090 23 HG21 ILE 3 HG21 ILE 3 -3.919 -1.271 -5.193 24 HG22 ILE 3 HG22 ILE 3 -2.826 -2.466 -4.465 25 HG23 ILE 3 HG23 ILE 3 -3.352 -1.040 -3.549 26 HD11 ILE 3 HD11 ILE 3 0.439 -2.234 -4.201 27 HD12 ILE 3 HD12 ILE 3 0.470 -1.551 -2.556 28 HD13 ILE 3 HD13 ILE 3 -0.933 -2.488 -3.085 29 H GLU 4 H GLU 4 -3.144 -2.875 -7.158 30 HA GLU 4 HA GLU 4 -4.534 -0.920 -8.904 31 HB2 GLU 4 HB2 GLU 4 -2.952 -2.332 -10.244 32 HB3 GLU 4 HB3 GLU 4 -3.724 -3.754 -9.572 33 HG2 GLU 4 HG2 GLU 4 -4.446 -3.265 -11.796 34 HG3 GLU 4 HG3 GLU 4 -5.815 -3.184 -10.708 35 H ARG 5 H ARG 5 -6.714 -1.428 -9.261 36 HA ARG 5 HA ARG 5 -8.046 -3.355 -7.383 37 HB2 ARG 5 HB2 ARG 5 -8.320 -0.960 -6.713 38 HB3 ARG 5 HB3 ARG 5 -8.984 -0.603 -8.294 39 HG2 ARG 5 HG2 ARG 5 -10.834 -0.796 -6.870 40 HG3 ARG 5 HG3 ARG 5 -10.848 -2.280 -7.809 41 HD2 ARG 5 HD2 ARG 5 -11.412 -2.776 -5.513 42 HD3 ARG 5 HD3 ARG 5 -9.846 -3.479 -5.850 43 HE ARG 5 HE ARG 5 -8.769 -1.810 -4.548 44 HH11 ARG 5 HH11 ARG 5 -12.375 -1.543 -4.272 45 HH12 ARG 5 HH12 ARG 5 -12.259 -0.458 -2.926 46 HH21 ARG 5 HH21 ARG 5 -8.752 -0.317 -2.778 47 HH22 ARG 5 HH22 ARG 5 -10.257 0.138 -2.026 48 H ILE 6 H ILE 6 -7.963 -4.992 -9.079 49 HA ILE 6 HA ILE 6 -8.617 -4.598 -11.807 50 HB ILE 6 HB ILE 6 -9.039 -7.043 -10.044 51 HG12 ILE 6 HG12 ILE 6 -6.744 -6.389 -9.812 52 HG13 ILE 6 HG13 ILE 6 -6.868 -7.788 -10.840 53 HG21 ILE 6 HG21 ILE 6 -8.854 -6.813 -13.068 54 HG22 ILE 6 HG22 ILE 6 -8.781 -8.337 -12.158 55 HG23 ILE 6 HG23 ILE 6 -10.246 -7.354 -12.102 56 HD11 ILE 6 HD11 ILE 6 -5.208 -6.217 -11.728 57 HD12 ILE 6 HD12 ILE 6 -6.562 -6.386 -12.860 58 HD13 ILE 6 HD13 ILE 6 -6.434 -4.950 -11.824 59 H ASN 7 H ASN 7 -10.532 -5.723 -9.077 60 HA ASN 7 HA ASN 7 -12.930 -4.334 -9.858 61 HB2 ASN 7 HB2 ASN 7 -14.408 -6.166 -10.119 62 HB3 ASN 7 HB3 ASN 7 -13.084 -6.476 -11.202 63 HD21 ASN 7 HD21 ASN 7 -14.516 -8.640 -10.839 64 HD22 ASN 7 HD22 ASN 7 -13.768 -9.752 -9.720 65 H GLU 8 H GLU 8 -14.628 -5.623 -7.909 66 HA GLU 8 HA GLU 8 -13.346 -4.429 -5.629 67 HB2 GLU 8 HB2 GLU 8 -15.909 -4.533 -6.474 68 HB3 GLU 8 HB3 GLU 8 -15.949 -5.892 -5.353 69 HG2 GLU 8 HG2 GLU 8 -16.596 -3.978 -4.096 70 HG3 GLU 8 HG3 GLU 8 -14.931 -4.305 -3.611 71 H HIS 9 H HIS 9 -12.816 -7.455 -6.751 72 HA HIS 9 HA HIS 9 -12.537 -8.680 -4.018 73 HB2 HIS 9 HB2 HIS 9 -13.412 -10.032 -6.594 74 HB3 HIS 9 HB3 HIS 9 -13.209 -10.800 -5.028 75 HD1 HIS 9 HD1 HIS 9 -15.975 -9.892 -7.025 76 HD2 HIS 9 HD2 HIS 9 -14.855 -9.021 -3.058 77 HE1 HIS 9 HE1 HIS 9 -18.105 -9.238 -5.805 78 H THR 10 H THR 10 -11.339 -8.846 -7.437 79 HA THR 10 HA THR 10 -8.806 -10.018 -6.519 80 HB THR 10 HB THR 10 -9.668 -8.993 -9.250 81 HG1 THR 10 HG1 THR 10 -10.217 -11.113 -9.664 82 HG21 THR 10 HG21 THR 10 -7.332 -10.808 -8.508 83 HG22 THR 10 HG22 THR 10 -7.801 -10.319 -10.150 84 HG23 THR 10 HG23 THR 10 -7.185 -9.124 -9.005 85 H VAL 11 H VAL 11 -6.995 -8.848 -6.188 86 HA VAL 11 HA VAL 11 -6.831 -6.095 -7.219 87 HB VAL 11 HB VAL 11 -5.688 -5.281 -5.216 88 HG11 VAL 11 HG11 VAL 11 -8.479 -6.298 -4.511 89 HG12 VAL 11 HG12 VAL 11 -7.634 -4.892 -3.825 90 HG13 VAL 11 HG13 VAL 11 -8.127 -4.881 -5.526 91 HG21 VAL 11 HG21 VAL 11 -5.872 -6.421 -3.044 92 HG22 VAL 11 HG22 VAL 11 -6.560 -7.852 -3.843 93 HG23 VAL 11 HG23 VAL 11 -4.887 -7.333 -4.182 94 H LYS 12 H LYS 12 -4.510 -5.532 -7.572 95 HA LYS 12 HA LYS 12 -2.683 -7.774 -7.203 96 HB2 LYS 12 HB2 LYS 12 -1.838 -7.948 -9.327 97 HB3 LYS 12 HB3 LYS 12 -3.570 -8.003 -9.588 98 HG2 LYS 12 HG2 LYS 12 -3.561 -5.720 -10.373 99 HG3 LYS 12 HG3 LYS 12 -1.816 -5.583 -10.067 100 HD2 LYS 12 HD2 LYS 12 -1.436 -7.517 -11.622 101 HD3 LYS 12 HD3 LYS 12 -3.167 -7.487 -12.050 102 HE2 LYS 12 HE2 LYS 12 -2.946 -5.185 -12.880 103 HE3 LYS 12 HE3 LYS 12 -1.307 -5.112 -12.198 104 HZ1 LYS 12 HZ1 LYS 12 -2.057 -6.925 -14.427 105 HZ2 LYS 12 HZ2 LYS 12 -1.303 -5.481 -14.623 106 HZ3 LYS 12 HZ3 LYS 12 -0.539 -6.680 -13.809 107 H PHE 13 H PHE 13 -0.410 -7.017 -7.569 108 HA PHE 13 HA PHE 13 -0.052 -4.127 -7.432 109 HB2 PHE 13 HB2 PHE 13 1.216 -4.240 -5.310 110 HB3 PHE 13 HB3 PHE 13 -0.473 -4.611 -5.098 111 HD1 PHE 13 HD1 PHE 13 -1.173 -6.989 -4.655 112 HD2 PHE 13 HD2 PHE 13 2.957 -5.778 -4.853 113 HE1 PHE 13 HE1 PHE 13 -0.524 -8.953 -3.263 114 HE2 PHE 13 HE2 PHE 13 3.599 -7.685 -3.417 115 HZ PHE 13 HZ PHE 13 1.840 -9.236 -2.548 116 H TYR 14 H TYR 14 2.332 -3.651 -7.454 117 HA TYR 14 HA TYR 14 3.966 -5.847 -8.576 118 HB2 TYR 14 HB2 TYR 14 3.349 -4.709 -10.525 119 HB3 TYR 14 HB3 TYR 14 3.534 -3.140 -9.792 120 HD1 TYR 14 HD1 TYR 14 5.372 -6.117 -11.000 121 HD2 TYR 14 HD2 TYR 14 5.653 -2.125 -9.456 122 HE1 TYR 14 HE1 TYR 14 7.759 -6.138 -11.550 123 HE2 TYR 14 HE2 TYR 14 8.135 -2.123 -9.922 124 HH TYR 14 HH TYR 14 9.916 -3.289 -10.912 125 H MET 15 H MET 15 5.794 -6.049 -7.540 126 HA MET 15 HA MET 15 6.524 -3.997 -5.501 127 HB2 MET 15 HB2 MET 15 5.417 -6.115 -4.632 128 HB3 MET 15 HB3 MET 15 6.746 -7.026 -5.344 129 HG2 MET 15 HG2 MET 15 8.322 -5.975 -3.934 130 HG3 MET 15 HG3 MET 15 7.146 -4.818 -3.362 131 HE1 MET 15 HE1 MET 15 5.937 -5.062 -1.114 132 HE2 MET 15 HE2 MET 15 6.644 -6.271 -0.020 133 HE3 MET 15 HE3 MET 15 7.710 -5.176 -0.931 134 H SER 16 H SER 16 8.479 -3.132 -5.958 135 HA SER 16 HA SER 16 10.258 -4.471 -7.858 136 HB2 SER 16 HB2 SER 16 10.850 -2.021 -6.207 137 HB3 SER 16 HB3 SER 16 11.549 -2.482 -7.768 138 HG SER 16 HG SER 16 9.960 -0.865 -8.049 139 H TYR 17 H TYR 17 12.432 -5.245 -7.339 140 HA TYR 17 HA TYR 17 12.701 -6.659 -4.908 141 HB2 TYR 17 HB2 TYR 17 14.903 -5.645 -6.732 142 HB3 TYR 17 HB3 TYR 17 15.087 -6.892 -5.506 143 HD1 TYR 17 HD1 TYR 17 12.268 -8.277 -6.178 144 HD2 TYR 17 HD2 TYR 17 15.678 -7.031 -8.525 145 HE1 TYR 17 HE1 TYR 17 11.768 -10.007 -7.808 146 HE2 TYR 17 HE2 TYR 17 15.116 -8.705 -10.232 147 HH TYR 17 HH TYR 17 13.656 -10.501 -10.827 148 H GLY 18 H GLY 18 13.816 -3.359 -5.697 149 HA2 GLY 18 HA2 GLY 18 15.317 -2.937 -3.326 150 HA3 GLY 18 HA3 GLY 18 14.569 -1.698 -4.331 151 H ASP 19 H ASP 19 11.783 -2.798 -3.905 152 HA ASP 19 HA ASP 19 11.157 -1.359 -1.457 153 HB2 ASP 19 HB2 ASP 19 9.647 -2.758 -3.636 154 HB3 ASP 19 HB3 ASP 19 8.873 -2.768 -2.079 155 H ILE 20 H ILE 20 11.492 -4.755 -2.398 156 HA ILE 20 HA ILE 20 10.519 -5.933 0.050 157 HB ILE 20 HB ILE 20 12.159 -6.811 -2.353 158 HG12 ILE 20 HG12 ILE 20 9.500 -7.840 -1.328 159 HG13 ILE 20 HG13 ILE 20 9.645 -6.378 -2.304 160 HG21 ILE 20 HG21 ILE 20 11.464 -8.633 -0.035 161 HG22 ILE 20 HG22 ILE 20 12.127 -9.125 -1.598 162 HG23 ILE 20 HG23 ILE 20 13.106 -8.110 -0.522 163 HD11 ILE 20 HD11 ILE 20 9.027 -8.193 -3.739 164 HD12 ILE 20 HD12 ILE 20 10.658 -7.653 -4.146 165 HD13 ILE 20 HD13 ILE 20 10.429 -9.162 -3.219 166 H GLU 21 H GLU 21 13.808 -5.146 -1.213 167 HA GLU 21 HA GLU 21 15.396 -5.927 0.974 168 HB2 GLU 21 HB2 GLU 21 16.209 -5.537 -1.195 169 HB3 GLU 21 HB3 GLU 21 15.466 -3.965 -1.316 170 HG2 GLU 21 HG2 GLU 21 17.789 -3.865 -1.073 171 HG3 GLU 21 HG3 GLU 21 16.896 -3.003 0.189 172 H ASP 22 H ASP 22 13.629 -2.861 0.210 173 HA ASP 22 HA ASP 22 14.878 -1.405 2.198 174 HB2 ASP 22 HB2 ASP 22 13.500 -0.382 0.415 175 HB3 ASP 22 HB3 ASP 22 12.048 -1.049 1.125 176 H ARG 23 H ARG 23 11.927 -3.258 2.170 177 HA ARG 23 HA ARG 23 11.108 -2.910 4.932 178 HB2 ARG 23 HB2 ARG 23 10.413 -4.958 2.789 179 HB3 ARG 23 HB3 ARG 23 9.648 -4.914 4.386 180 HG2 ARG 23 HG2 ARG 23 8.560 -2.895 3.997 181 HG3 ARG 23 HG3 ARG 23 9.619 -2.468 2.649 182 HD2 ARG 23 HD2 ARG 23 8.648 -4.241 1.248 183 HD3 ARG 23 HD3 ARG 23 7.630 -4.786 2.582 184 HE ARG 23 HE ARG 23 6.185 -3.040 2.253 185 HH11 ARG 23 HH11 ARG 23 9.211 -2.201 0.569 186 HH12 ARG 23 HH12 ARG 23 8.505 -0.881 -0.328 187 HH21 ARG 23 HH21 ARG 23 5.256 -1.380 1.073 188 HH22 ARG 23 HH22 ARG 23 6.226 -0.308 0.084 189 H GLY 24 H GLY 24 13.766 -4.533 3.598 190 HA2 GLY 24 HA2 GLY 24 15.413 -5.642 4.704 191 HA3 GLY 24 HA3 GLY 24 14.406 -5.694 6.153 192 H PHE 25 H PHE 25 12.837 -6.870 3.341 193 HA PHE 25 HA PHE 25 13.323 -9.741 4.048 194 HB2 PHE 25 HB2 PHE 25 11.330 -8.471 2.130 195 HB3 PHE 25 HB3 PHE 25 11.475 -10.196 2.477 196 HD1 PHE 25 HD2 PHE 25 10.577 -6.900 3.906 197 HD2 PHE 25 HD1 PHE 25 10.275 -11.167 4.408 198 HE1 PHE 25 HE2 PHE 25 9.096 -6.563 5.874 199 HE2 PHE 25 HE1 PHE 25 8.840 -10.821 6.361 200 HZ PHE 25 HZ PHE 25 8.244 -8.526 7.124 201 H ASP 26 H ASP 26 13.300 -10.949 1.572 202 HA ASP 26 HA ASP 26 15.050 -9.430 -0.236 203 HB2 ASP 26 HB2 ASP 26 16.381 -11.118 1.460 204 HB3 ASP 26 HB3 ASP 26 15.903 -12.242 0.207 205 H ARG 27 H ARG 27 15.052 -10.426 -2.368 206 HA ARG 27 HA ARG 27 12.316 -10.988 -2.986 207 HB2 ARG 27 HB2 ARG 27 13.016 -10.887 -5.310 208 HB3 ARG 27 HB3 ARG 27 13.911 -9.668 -4.398 209 HG2 ARG 27 HG2 ARG 27 15.805 -11.468 -4.239 210 HG3 ARG 27 HG3 ARG 27 14.899 -12.323 -5.496 211 HD2 ARG 27 HD2 ARG 27 15.070 -10.319 -6.955 212 HD3 ARG 27 HD3 ARG 27 15.972 -9.464 -5.702 213 HE ARG 27 HE ARG 27 16.933 -11.440 -7.572 214 HH11 ARG 27 HH21 ARG 27 17.626 -10.193 -4.281 215 HH12 ARG 27 HH22 ARG 27 19.311 -10.535 -4.387 216 HH21 ARG 27 HH11 ARG 27 19.161 -11.922 -7.650 217 HH22 ARG 27 HH12 ARG 27 20.192 -11.567 -6.314 218 H GLU 28 H GLU 28 15.028 -13.206 -2.612 219 HA GLU 28 HA GLU 28 13.344 -15.495 -3.490 220 HB2 GLU 28 HB2 GLU 28 16.118 -15.364 -2.276 221 HB3 GLU 28 HB3 GLU 28 15.304 -16.830 -2.784 222 HG2 GLU 28 HG2 GLU 28 15.136 -15.879 -5.110 223 HG3 GLU 28 HG3 GLU 28 16.123 -14.522 -4.574 224 H GLU 29 H GLU 29 14.738 -14.050 -0.517 225 HA GLU 29 HA GLU 29 14.065 -16.072 1.270 226 HB2 GLU 29 HB2 GLU 29 14.337 -13.059 1.605 227 HB3 GLU 29 HB3 GLU 29 14.177 -14.093 2.984 228 HG2 GLU 29 HG2 GLU 29 16.396 -14.376 0.923 229 HG3 GLU 29 HG3 GLU 29 16.478 -13.477 2.423 230 H ILE 30 H ILE 30 12.119 -13.378 0.235 231 HA ILE 30 HA ILE 30 9.795 -13.549 1.762 232 HB ILE 30 HB ILE 30 10.207 -13.172 -1.201 233 HG12 ILE 30 HG12 ILE 30 10.878 -11.464 0.673 234 HG13 ILE 30 HG13 ILE 30 10.156 -10.963 -0.834 235 HG21 ILE 30 HG21 ILE 30 7.503 -13.002 0.192 236 HG22 ILE 30 HG22 ILE 30 7.898 -12.322 -1.422 237 HG23 ILE 30 HG23 ILE 30 7.963 -14.056 -1.155 238 HD11 ILE 30 HD11 ILE 30 8.652 -11.272 1.822 239 HD12 ILE 30 HD12 ILE 30 9.264 -9.744 1.164 240 HD13 ILE 30 HD13 ILE 30 7.976 -10.600 0.316 241 H TRP 31 H TRP 31 10.600 -15.654 -1.059 242 HA TRP 31 HA TRP 31 8.215 -17.253 -0.733 243 HB2 TRP 31 HB2 TRP 31 10.657 -17.764 -2.436 244 HB3 TRP 31 HB3 TRP 31 9.069 -18.468 -2.663 245 HD1 TRP 31 HD1 TRP 31 11.146 -15.847 -3.959 246 HE1 TRP 31 HE1 TRP 31 9.897 -13.895 -5.018 247 HE3 TRP 31 HE3 TRP 31 6.389 -17.049 -2.475 248 HZ2 TRP 31 HZ2 TRP 31 7.188 -12.828 -4.978 249 HZ3 TRP 31 HZ3 TRP 31 4.481 -15.586 -3.097 250 HH2 TRP 31 HH2 TRP 31 4.862 -13.466 -4.331 251 H TYR 32 H TYR 32 11.302 -17.428 0.775 252 HA TYR 32 HA TYR 32 11.044 -20.367 1.213 253 HB2 TYR 32 HB2 TYR 32 13.548 -18.665 1.004 254 HB3 TYR 32 HB3 TYR 32 13.496 -20.409 1.244 255 HD1 TYR 32 HD2 TYR 32 11.722 -21.599 -0.553 256 HD2 TYR 32 HD1 TYR 32 14.204 -18.135 -1.211 257 HE1 TYR 32 HE2 TYR 32 11.583 -21.978 -2.969 258 HE2 TYR 32 HE1 TYR 32 13.994 -18.442 -3.651 259 HH TYR 32 HH TYR 32 12.159 -21.185 -5.115 260 H ASN 33 H ASN 33 10.475 -17.617 2.886 261 HA ASN 33 HA ASN 33 10.896 -19.010 5.488 262 HB2 ASN 33 HB2 ASN 33 11.032 -16.049 4.785 263 HB3 ASN 33 HB3 ASN 33 10.933 -16.685 6.420 264 HD21 ASN 33 HD22 ASN 33 12.911 -16.240 3.617 265 HD22 ASN 33 HD21 ASN 33 14.465 -16.478 4.405 266 H ARG 34 H ARG 34 8.797 -19.972 5.164 267 HA ARG 34 HA ARG 34 6.719 -18.922 3.751 268 HB2 ARG 34 HB2 ARG 34 5.372 -20.623 4.539 269 HB3 ARG 34 HB3 ARG 34 7.036 -21.211 4.518 270 HG2 ARG 34 HG2 ARG 34 7.177 -20.911 6.995 271 HG3 ARG 34 HG3 ARG 34 5.468 -20.411 6.999 272 HD2 ARG 34 HD2 ARG 34 4.880 -22.550 5.859 273 HD3 ARG 34 HD3 ARG 34 6.562 -23.051 5.968 274 HE ARG 34 HE ARG 34 6.385 -23.444 8.237 275 HH11 ARG 34 HH11 ARG 34 3.318 -22.019 7.111 276 HH12 ARG 34 HH12 ARG 34 2.458 -22.400 8.560 277 HH21 ARG 34 HH21 ARG 34 5.231 -23.951 10.152 278 HH22 ARG 34 HH22 ARG 34 3.565 -23.525 10.320 279 H GLU 35 H GLU 35 7.338 -18.271 7.139 280 HA GLU 35 HA GLU 35 4.749 -16.945 7.513 281 HB2 GLU 35 HB2 GLU 35 5.477 -16.499 9.761 282 HB3 GLU 35 HB3 GLU 35 5.706 -18.197 9.386 283 HG2 GLU 35 HG2 GLU 35 7.967 -16.140 9.358 284 HG3 GLU 35 HG3 GLU 35 7.493 -17.047 10.778 285 H ARG 36 H ARG 36 8.028 -15.993 6.642 286 HA ARG 36 HA ARG 36 7.507 -13.139 7.116 287 HB2 ARG 36 HB2 ARG 36 9.837 -14.594 5.858 288 HB3 ARG 36 HB3 ARG 36 9.723 -12.881 6.073 289 HG2 ARG 36 HG2 ARG 36 10.057 -15.010 8.186 290 HG3 ARG 36 HG3 ARG 36 11.037 -13.581 7.870 291 HD2 ARG 36 HD2 ARG 36 9.185 -12.118 8.704 292 HD3 ARG 36 HD3 ARG 36 8.250 -13.580 9.101 293 HE ARG 36 HE ARG 36 10.859 -13.635 10.311 294 HH11 ARG 36 HH21 ARG 36 7.575 -12.204 10.700 295 HH12 ARG 36 HH22 ARG 36 7.739 -12.036 12.408 296 HH21 ARG 36 HH12 ARG 36 11.024 -13.376 12.595 297 HH22 ARG 36 HH11 ARG 36 9.722 -12.709 13.504 298 H SER 37 H SER 37 6.998 -15.494 4.558 299 HA SER 37 HA SER 37 6.830 -13.583 2.440 300 HB2 SER 37 HB2 SER 37 4.734 -15.669 2.383 301 HB3 SER 37 HB3 SER 37 5.925 -15.228 1.174 302 HG SER 37 HG SER 37 7.453 -16.417 2.252 303 H GLU 38 H GLU 38 4.422 -14.775 4.849 304 HA GLU 38 HA GLU 38 2.172 -13.604 3.884 305 HB2 GLU 38 HB2 GLU 38 2.733 -15.271 5.887 306 HB3 GLU 38 HB3 GLU 38 2.561 -13.798 6.864 307 HG2 GLU 38 HG2 GLU 38 0.341 -13.434 5.775 308 HG3 GLU 38 HG3 GLU 38 0.527 -14.944 4.891 309 H GLU 39 H GLU 39 4.687 -11.958 5.762 310 HA GLU 39 HA GLU 39 3.224 -9.773 6.752 311 HB2 GLU 39 HB2 GLU 39 6.074 -9.525 5.785 312 HB3 GLU 39 HB3 GLU 39 5.365 -8.861 7.236 313 HG2 GLU 39 HG2 GLU 39 6.080 -11.772 6.814 314 HG3 GLU 39 HG3 GLU 39 7.069 -10.591 7.565 315 H LEU 40 H LEU 40 4.694 -10.384 3.626 316 HA LEU 40 HA LEU 40 4.525 -7.788 2.451 317 HB2 LEU 40 HB2 LEU 40 5.837 -9.619 1.517 318 HB3 LEU 40 HB3 LEU 40 4.387 -10.559 1.267 319 HG LEU 40 HG LEU 40 5.724 -8.923 -0.560 320 HD11 LEU 40 HD11 LEU 40 4.110 -9.748 -2.150 321 HD12 LEU 40 HD12 LEU 40 4.615 -11.020 -1.041 322 HD13 LEU 40 HD13 LEU 40 3.029 -10.259 -0.824 323 HD21 LEU 40 HD21 LEU 40 4.247 -7.307 -1.401 324 HD22 LEU 40 HD22 LEU 40 2.924 -7.789 -0.360 325 HD23 LEU 40 HD23 LEU 40 4.363 -6.947 0.316 326 H PHE 41 H PHE 41 2.367 -10.615 2.301 327 HA PHE 41 HA PHE 41 0.361 -9.392 0.762 328 HB2 PHE 41 HB2 PHE 41 0.109 -11.775 2.621 329 HB3 PHE 41 HB3 PHE 41 -0.971 -11.371 1.298 330 HD1 PHE 41 HD1 PHE 41 -0.270 -11.724 -1.075 331 HD2 PHE 41 HD2 PHE 41 2.430 -12.449 2.184 332 HE1 PHE 41 HE1 PHE 41 1.336 -12.830 -2.629 333 HE2 PHE 41 HE2 PHE 41 4.018 -13.573 0.633 334 HZ PHE 41 HZ PHE 41 3.458 -13.777 -1.775 335 H TRP 42 H TRP 42 0.814 -9.667 4.296 336 HA TRP 42 HA TRP 42 -1.680 -8.529 5.038 337 HB2 TRP 42 HB2 TRP 42 1.006 -8.857 6.356 338 HB3 TRP 42 HB3 TRP 42 -0.174 -7.819 7.117 339 HD1 TRP 42 HD1 TRP 42 0.788 -11.343 6.970 340 HE1 TRP 42 HE1 TRP 42 -0.982 -12.904 7.925 341 HE3 TRP 42 HE3 TRP 42 -3.111 -8.034 7.151 342 HZ2 TRP 42 HZ2 TRP 42 -3.817 -12.743 8.629 343 HZ3 TRP 42 HZ3 TRP 42 -5.354 -8.782 7.896 344 HH2 TRP 42 HH2 TRP 42 -5.725 -11.121 8.640 345 H GLU 43 H GLU 43 1.336 -6.872 3.937 346 HA GLU 43 HA GLU 43 0.441 -4.278 4.807 347 HB2 GLU 43 HB2 GLU 43 2.838 -4.972 4.320 348 HB3 GLU 43 HB3 GLU 43 2.419 -4.979 2.596 349 HG2 GLU 43 HG2 GLU 43 1.655 -2.567 2.884 350 HG3 GLU 43 HG3 GLU 43 2.361 -2.611 4.501 351 H VAL 44 H VAL 44 0.286 -6.099 1.651 352 HA VAL 44 HA VAL 44 -0.924 -3.897 0.291 353 HB VAL 44 HB VAL 44 -1.488 -5.657 -1.371 354 HG11 VAL 44 HG11 VAL 44 0.875 -5.918 -2.065 355 HG12 VAL 44 HG12 VAL 44 0.665 -4.308 -1.358 356 HG13 VAL 44 HG13 VAL 44 1.426 -5.624 -0.416 357 HG21 VAL 44 HG21 VAL 44 0.130 -7.440 0.389 358 HG22 VAL 44 HG22 VAL 44 -1.613 -7.667 -0.011 359 HG23 VAL 44 HG23 VAL 44 -0.383 -7.826 -1.246 360 H MET 45 H MET 45 -2.280 -6.769 1.926 361 HA MET 45 HA MET 45 -4.994 -6.125 1.391 362 HB2 MET 45 HB2 MET 45 -4.358 -8.317 2.161 363 HB3 MET 45 HB3 MET 45 -3.653 -7.646 3.639 364 HG2 MET 45 HG2 MET 45 -5.873 -8.689 3.985 365 HG3 MET 45 HG3 MET 45 -5.713 -7.011 4.493 366 HE1 MET 45 HE1 MET 45 -8.026 -8.068 0.570 367 HE2 MET 45 HE2 MET 45 -6.314 -7.642 0.537 368 HE3 MET 45 HE3 MET 45 -6.839 -9.159 1.321 369 H ASP 46 H ASP 46 -2.725 -4.974 4.010 370 HA ASP 46 HA ASP 46 -4.639 -3.494 5.459 371 HB2 ASP 46 HB2 ASP 46 -2.438 -3.867 6.314 372 HB3 ASP 46 HB3 ASP 46 -1.696 -2.920 5.041 373 H GLU 47 H GLU 47 -2.804 -2.645 2.519 374 HA GLU 47 HA GLU 47 -3.624 0.019 2.200 375 HB2 GLU 47 HB2 GLU 47 -2.270 -2.110 0.696 376 HB3 GLU 47 HB3 GLU 47 -3.324 -1.208 -0.361 377 HG2 GLU 47 HG2 GLU 47 -1.074 -0.130 1.381 378 HG3 GLU 47 HG3 GLU 47 -1.040 -0.418 -0.337 379 H VAL 48 H VAL 48 -5.597 -2.729 2.147 380 HA VAL 48 HA VAL 48 -7.769 -1.369 0.599 381 HB VAL 48 HB VAL 48 -7.207 -4.366 0.649 382 HG11 VAL 48 HG11 VAL 48 -9.536 -3.822 0.077 383 HG12 VAL 48 HG12 VAL 48 -8.996 -2.674 -1.156 384 HG13 VAL 48 HG13 VAL 48 -8.701 -4.422 -1.342 385 HG21 VAL 48 HG21 VAL 48 -5.354 -3.247 -0.618 386 HG22 VAL 48 HG22 VAL 48 -6.380 -4.250 -1.630 387 HG23 VAL 48 HG23 VAL 48 -6.556 -2.471 -1.655 388 H HIS 49 H HIS 49 -6.795 -2.671 3.599 389 HA HIS 49 HA HIS 49 -8.788 -4.340 4.151 390 HB2 HIS 49 HB2 HIS 49 -6.674 -4.000 5.423 391 HB3 HIS 49 HB3 HIS 49 -7.487 -2.730 6.343 392 HD1 HIS 49 HD1 HIS 49 -8.102 -3.865 8.657 393 HD2 HIS 49 HD2 HIS 49 -8.584 -6.331 5.285 394 HE1 HIS 49 HE1 HIS 49 -9.000 -6.085 9.523 395 H GLU 50 H GLU 50 -9.139 -0.843 4.511 396 HA GLU 50 HA GLU 50 -11.445 -0.819 6.181 397 HB2 GLU 50 HB2 GLU 50 -10.579 1.097 3.975 398 HB3 GLU 50 HB3 GLU 50 -11.874 1.414 5.133 399 HG2 GLU 50 HG2 GLU 50 -10.248 1.177 7.011 400 HG3 GLU 50 HG3 GLU 50 -8.942 0.988 5.841 401 H GLU 51 H GLU 51 -11.112 -1.961 2.921 402 HA GLU 51 HA GLU 51 -14.047 -1.893 2.451 403 HB2 GLU 51 HB2 GLU 51 -11.671 -1.977 0.557 404 HB3 GLU 51 HB3 GLU 51 -13.348 -2.198 0.054 405 HG2 GLU 51 HG2 GLU 51 -13.970 0.008 0.828 406 HG3 GLU 51 HG3 GLU 51 -12.385 0.272 1.536 407 H GLU 52 H GLU 52 -11.826 -3.904 3.769 408 HA GLU 52 HA GLU 52 -12.891 -6.407 2.524 409 HB2 GLU 52 HB2 GLU 52 -10.114 -5.556 3.234 410 HB3 GLU 52 HB3 GLU 52 -10.514 -7.250 3.105 411 HG2 GLU 52 HG2 GLU 52 -11.144 -5.323 0.843 412 HG3 GLU 52 HG3 GLU 52 -9.554 -6.009 1.096 413 H GLU 53 H GLU 53 -12.152 -4.684 5.532 414 HA GLU 53 HA GLU 53 -11.779 -6.799 7.259 415 HB2 GLU 53 HB2 GLU 53 -12.440 -5.274 9.041 416 HB3 GLU 53 HB3 GLU 53 -11.402 -4.480 7.862 417 HG2 GLU 53 HG2 GLU 53 -13.368 -3.367 6.842 418 HG3 GLU 53 HG3 GLU 53 -14.438 -4.206 7.969 419 H PHE 54 H PHE 54 -14.777 -5.906 5.745 420 HA PHE 54 HA PHE 54 -16.407 -7.620 7.538 421 HB2 PHE 54 HB2 PHE 54 -18.306 -6.560 6.281 422 HB3 PHE 54 HB3 PHE 54 -17.314 -5.449 7.195 423 HD1 PHE 54 HD1 PHE 54 -18.019 -6.683 3.727 424 HD2 PHE 54 HD2 PHE 54 -16.171 -3.619 6.147 425 HE1 PHE 54 HE1 PHE 54 -17.649 -5.295 1.703 426 HE2 PHE 54 HE2 PHE 54 -15.820 -2.237 4.119 427 HZ PHE 54 HZ PHE 54 -16.559 -3.070 1.892 428 H ALA 55 H ALA 55 -14.435 -8.231 5.013 429 HA ALA 55 HA ALA 55 -16.236 -10.250 3.754 430 HB1 ALA 55 HB1 ALA 55 -14.262 -8.413 2.339 431 HB2 ALA 55 HB2 ALA 55 -15.276 -9.662 1.584 432 HB3 ALA 55 HB3 ALA 55 -16.032 -8.240 2.326 433 H VAL 56 H VAL 56 -13.012 -9.593 5.106 434 HA VAL 56 HA VAL 56 -11.893 -11.997 4.023 435 HB VAL 56 HB VAL 56 -10.096 -11.668 5.758 436 HG11 VAL 56 HG11 VAL 56 -10.799 -9.230 4.095 437 HG12 VAL 56 HG12 VAL 56 -9.212 -9.568 4.815 438 HG13 VAL 56 HG13 VAL 56 -9.875 -10.646 3.569 439 HG21 VAL 56 HG21 VAL 56 -11.480 -10.650 7.553 440 HG22 VAL 56 HG22 VAL 56 -10.045 -9.693 7.153 441 HG23 VAL 56 HG23 VAL 56 -11.635 -9.169 6.580 442 H GLU 57 H GLU 57 -14.417 -11.859 6.003 443 HA GLU 57 HA GLU 57 -14.156 -14.327 7.441 444 HB2 GLU 57 HB2 GLU 57 -16.680 -14.355 7.063 445 HB3 GLU 57 HB3 GLU 57 -16.050 -12.923 7.886 446 HG2 GLU 57 HG2 GLU 57 -16.228 -11.567 5.905 447 HG3 GLU 57 HG3 GLU 57 -16.482 -12.952 4.875 448 H GLY 58 H GLY 58 -14.117 -13.584 4.087 449 HA2 GLY 58 HA2 GLY 58 -14.742 -16.394 3.293 450 HA3 GLY 58 HA3 GLY 58 -14.838 -14.951 2.287 451 HA PRO 59 HA PRO 59 -10.833 -17.363 1.900 452 HB2 PRO 59 HB2 PRO 59 -10.902 -18.068 -0.740 453 HB3 PRO 59 HB3 PRO 59 -11.789 -18.947 0.541 454 HG2 PRO 59 HG2 PRO 59 -12.853 -16.782 -1.301 455 HG3 PRO 59 HG3 PRO 59 -13.555 -18.396 -0.934 456 HD2 PRO 59 HD2 PRO 59 -14.407 -16.167 0.351 457 HD3 PRO 59 HD3 PRO 59 -14.249 -17.739 1.201 458 H LEU 60 H LEU 60 -8.935 -17.077 0.467 459 HA LEU 60 HA LEU 60 -8.763 -14.703 -1.212 460 HB2 LEU 60 HB2 LEU 60 -8.021 -13.987 1.147 461 HB3 LEU 60 HB3 LEU 60 -6.757 -15.226 1.018 462 HG LEU 60 HG LEU 60 -5.730 -14.030 -0.874 463 HD11 LEU 60 HD11 LEU 60 -7.924 -11.950 -0.438 464 HD12 LEU 60 HD12 LEU 60 -6.467 -11.710 -1.432 465 HD13 LEU 60 HD13 LEU 60 -7.662 -12.909 -1.908 466 HD21 LEU 60 HD21 LEU 60 -5.031 -13.523 1.427 467 HD22 LEU 60 HD22 LEU 60 -4.880 -12.103 0.381 468 HD23 LEU 60 HD23 LEU 60 -6.242 -12.222 1.523 469 H TRP 61 H TRP 61 -6.982 -14.971 -2.679 470 HA TRP 61 HA TRP 61 -5.695 -17.641 -2.838 471 HB2 TRP 61 HB2 TRP 61 -7.377 -16.078 -4.793 472 HB3 TRP 61 HB3 TRP 61 -6.418 -17.378 -5.375 473 HD1 TRP 61 HD1 TRP 61 -9.563 -16.469 -3.473 474 HE1 TRP 61 HE1 TRP 61 -11.143 -18.506 -3.264 475 HE3 TRP 61 HE3 TRP 61 -6.449 -20.029 -5.302 476 HZ2 TRP 61 HZ2 TRP 61 -11.029 -21.358 -3.851 477 HZ3 TRP 61 HZ3 TRP 61 -7.178 -22.417 -5.482 478 HH2 TRP 61 HH2 TRP 61 -9.465 -23.076 -4.756 479 H ILE 62 H ILE 62 -3.715 -17.496 -4.217 480 HA ILE 62 HA ILE 62 -2.757 -14.713 -4.703 481 HB ILE 62 HB ILE 62 -1.058 -16.818 -3.351 482 HG12 ILE 62 HG12 ILE 62 -2.934 -16.531 -1.761 483 HG13 ILE 62 HG13 ILE 62 -1.368 -16.078 -1.149 484 HG21 ILE 62 HG21 ILE 62 0.311 -14.960 -2.645 485 HG22 ILE 62 HG22 ILE 62 0.044 -14.832 -4.385 486 HG23 ILE 62 HG23 ILE 62 -0.852 -13.776 -3.277 487 HD11 ILE 62 HD11 ILE 62 -3.379 -14.015 -2.117 488 HD12 ILE 62 HD12 ILE 62 -3.224 -14.568 -0.440 489 HD13 ILE 62 HD13 ILE 62 -1.881 -13.726 -1.217 490 H GLN 63 H GLN 63 -1.529 -14.580 -6.587 491 HA GLN 63 HA GLN 63 0.157 -16.858 -7.309 492 HB2 GLN 63 HB2 GLN 63 -0.349 -16.666 -9.726 493 HB3 GLN 63 HB3 GLN 63 -1.671 -17.336 -8.799 494 HG2 GLN 63 HG2 GLN 63 -3.091 -15.686 -9.368 495 HG3 GLN 63 HG3 GLN 63 -1.928 -14.425 -9.012 496 HE21 GLN 63 HE22 GLN 63 -3.131 -16.578 -11.595 497 HE22 GLN 63 HE21 GLN 63 -2.327 -15.736 -12.900 498 H VAL 64 H VAL 64 1.824 -16.054 -9.045 499 HA VAL 64 HA VAL 64 2.518 -13.215 -8.566 500 HB VAL 64 HB VAL 64 3.281 -14.537 -6.660 501 HG11 VAL 64 HG11 VAL 64 5.096 -16.005 -8.619 502 HG12 VAL 64 HG12 VAL 64 5.135 -16.125 -6.848 503 HG13 VAL 64 HG13 VAL 64 3.724 -16.715 -7.731 504 HG21 VAL 64 HG21 VAL 64 4.492 -12.506 -7.280 505 HG22 VAL 64 HG22 VAL 64 5.553 -13.729 -6.594 506 HG23 VAL 64 HG23 VAL 64 5.584 -13.454 -8.321 507 H GLN 65 H GLN 65 4.296 -12.496 -9.957 508 HA GLN 65 HA GLN 65 5.333 -14.339 -12.039 509 HB2 GLN 65 HB2 GLN 65 4.469 -11.417 -12.425 510 HB3 GLN 65 HB3 GLN 65 5.551 -12.274 -13.502 511 HG2 GLN 65 HG2 GLN 65 3.639 -12.493 -14.675 512 HG3 GLN 65 HG3 GLN 65 3.638 -13.978 -13.733 513 HE21 GLN 65 HE22 GLN 65 2.116 -14.217 -12.033 514 HE22 GLN 65 HE21 GLN 65 0.609 -13.309 -12.030 515 H ALA 66 H ALA 66 7.591 -13.919 -12.309 516 HA ALA 66 HA ALA 66 8.760 -11.723 -10.641 517 HB1 ALA 66 HB1 ALA 66 10.084 -14.330 -11.487 518 HB2 ALA 66 HB2 ALA 66 10.839 -12.997 -10.585 519 HB3 ALA 66 HB3 ALA 66 9.530 -13.925 -9.839 520 H LEU 67 H LEU 67 9.720 -10.182 -11.711 521 HA LEU 67 HA LEU 67 9.822 -10.251 -14.688 522 HB2 LEU 67 HB2 LEU 67 9.017 -8.016 -12.761 523 HB3 LEU 67 HB3 LEU 67 9.183 -7.840 -14.482 524 HG LEU 67 HG LEU 67 7.437 -9.945 -14.453 525 HD11 LEU 67 HD11 LEU 67 7.190 -10.060 -12.090 526 HD12 LEU 67 HD12 LEU 67 6.779 -8.325 -12.023 527 HD13 LEU 67 HD13 LEU 67 5.690 -9.499 -12.823 528 HD21 LEU 67 HD21 LEU 67 6.674 -6.996 -14.152 529 HD22 LEU 67 HD22 LEU 67 7.150 -7.778 -15.681 530 HD23 LEU 67 HD23 LEU 67 5.657 -8.268 -14.857 531 H ASP 68 H ASP 68 11.122 -7.843 -15.090 532 HA ASP 68 HA ASP 68 13.733 -8.777 -14.988 533 HB2 ASP 68 HB2 ASP 68 12.829 -7.112 -16.595 534 HB3 ASP 68 HB3 ASP 68 12.873 -5.884 -15.317 535 H LYS 69 H LYS 69 12.263 -6.319 -12.824 536 HA LYS 69 HA LYS 69 14.461 -6.720 -10.874 537 HB2 LYS 69 HB2 LYS 69 13.585 -4.079 -12.012 538 HB3 LYS 69 HB3 LYS 69 14.546 -4.207 -10.545 539 HG2 LYS 69 HG2 LYS 69 15.436 -5.162 -13.288 540 HG3 LYS 69 HG3 LYS 69 15.879 -3.664 -12.503 541 HD2 LYS 69 HD2 LYS 69 16.897 -5.052 -10.599 542 HD3 LYS 69 HD3 LYS 69 16.563 -6.482 -11.551 543 HE2 LYS 69 HE2 LYS 69 18.833 -5.976 -11.944 544 HE3 LYS 69 HE3 LYS 69 17.953 -5.591 -13.423 545 HZ1 LYS 69 HZ1 LYS 69 18.070 -3.235 -12.806 546 HZ2 LYS 69 HZ2 LYS 69 18.837 -3.596 -11.401 547 HZ3 LYS 69 HZ3 LYS 69 19.571 -3.876 -12.831 548 H GLY 70 H GLY 70 11.595 -7.575 -10.937 549 HA2 GLY 70 HA2 GLY 70 10.843 -6.905 -8.274 550 HA3 GLY 70 HA3 GLY 70 9.908 -5.940 -9.411 551 H LEU 71 H LEU 71 8.204 -7.338 -8.315 552 HA LEU 71 HA LEU 71 7.634 -9.714 -10.024 553 HB2 LEU 71 HB2 LEU 71 7.127 -9.463 -7.029 554 HB3 LEU 71 HB3 LEU 71 6.596 -10.789 -8.023 555 HG LEU 71 HG LEU 71 9.459 -10.556 -8.391 556 HD11 LEU 71 HD11 LEU 71 8.557 -10.595 -5.481 557 HD12 LEU 71 HD12 LEU 71 10.224 -10.824 -6.062 558 HD13 LEU 71 HD13 LEU 71 9.404 -9.260 -6.297 559 HD21 LEU 71 HD21 LEU 71 8.167 -12.628 -8.616 560 HD22 LEU 71 HD22 LEU 71 9.510 -12.814 -7.471 561 HD23 LEU 71 HD23 LEU 71 7.831 -12.633 -6.905 562 H GLU 72 H GLU 72 5.450 -9.904 -10.544 563 HA GLU 72 HA GLU 72 3.598 -7.802 -9.492 564 HB2 GLU 72 HB2 GLU 72 3.295 -9.624 -11.913 565 HB3 GLU 72 HB3 GLU 72 1.930 -8.883 -11.094 566 HG2 GLU 72 HG2 GLU 72 2.857 -6.626 -11.487 567 HG3 GLU 72 HG3 GLU 72 4.180 -7.339 -12.401 568 H ILE 73 H ILE 73 1.932 -8.502 -8.158 569 HA ILE 73 HA ILE 73 1.714 -11.411 -7.711 570 HB ILE 73 HB ILE 73 1.515 -9.254 -5.616 571 HG12 ILE 73 HG12 ILE 73 3.376 -10.212 -4.381 572 HG13 ILE 73 HG13 ILE 73 3.753 -11.324 -5.612 573 HG21 ILE 73 HG21 ILE 73 1.433 -12.295 -5.336 574 HG22 ILE 73 HG22 ILE 73 1.265 -11.117 -4.010 575 HG23 ILE 73 HG23 ILE 73 0.027 -11.216 -5.243 576 HD11 ILE 73 HD11 ILE 73 4.676 -9.601 -6.990 577 HD12 ILE 73 HD12 ILE 73 3.853 -8.312 -6.073 578 HD13 ILE 73 HD13 ILE 73 5.190 -9.221 -5.351 579 H ILE 74 H ILE 74 -0.415 -12.039 -7.913 580 HA ILE 74 HA ILE 74 -2.555 -9.944 -8.126 581 HB ILE 74 HB ILE 74 -2.078 -12.451 -9.774 582 HG12 ILE 74 HG12 ILE 74 -2.370 -11.135 -11.751 583 HG13 ILE 74 HG13 ILE 74 -2.626 -9.672 -10.834 584 HG21 ILE 74 HG21 ILE 74 -4.428 -12.450 -9.151 585 HG22 ILE 74 HG22 ILE 74 -4.596 -10.742 -9.631 586 HG23 ILE 74 HG23 ILE 74 -4.289 -12.002 -10.848 587 HD11 ILE 74 HD11 ILE 74 -0.376 -9.926 -11.941 588 HD12 ILE 74 HD12 ILE 74 -0.286 -9.589 -10.217 589 HD13 ILE 74 HD13 ILE 74 -0.019 -11.253 -10.816 590 H VAL 75 H VAL 75 -4.300 -10.420 -6.702 591 HA VAL 75 HA VAL 75 -4.314 -13.078 -5.475 592 HB VAL 75 HB VAL 75 -4.545 -12.230 -3.239 593 HG11 VAL 75 HG11 VAL 75 -2.211 -12.513 -4.254 594 HG12 VAL 75 HG12 VAL 75 -2.139 -10.757 -4.404 595 HG13 VAL 75 HG13 VAL 75 -2.305 -11.480 -2.799 596 HG21 VAL 75 HG21 VAL 75 -5.630 -10.096 -3.628 597 HG22 VAL 75 HG22 VAL 75 -4.139 -9.885 -2.679 598 HG23 VAL 75 HG23 VAL 75 -4.146 -9.476 -4.416 599 H THR 76 H THR 76 -6.356 -13.896 -5.059 600 HA THR 76 HA THR 76 -8.478 -12.404 -6.532 601 HB THR 76 HB THR 76 -8.764 -14.193 -8.009 602 HG1 THR 76 HG1 THR 76 -7.947 -16.180 -7.868 603 HG21 THR 76 HG21 THR 76 -6.560 -12.917 -8.417 604 HG22 THR 76 HG22 THR 76 -5.729 -14.298 -7.636 605 HG23 THR 76 HG23 THR 76 -6.645 -14.530 -9.138 606 H LYS 77 H LYS 77 -10.638 -13.769 -6.504 607 HA LYS 77 HA LYS 77 -10.987 -15.246 -3.969 608 HB2 LYS 77 HB2 LYS 77 -12.845 -13.102 -5.015 609 HB3 LYS 77 HB3 LYS 77 -13.176 -14.199 -3.661 610 HG2 LYS 77 HG2 LYS 77 -10.912 -13.367 -2.665 611 HG3 LYS 77 HG3 LYS 77 -11.043 -12.077 -3.858 612 HD2 LYS 77 HD2 LYS 77 -13.428 -11.684 -2.834 613 HD3 LYS 77 HD3 LYS 77 -12.888 -12.883 -1.636 614 HE2 LYS 77 HE2 LYS 77 -10.892 -11.319 -1.175 615 HE3 LYS 77 HE3 LYS 77 -11.669 -10.120 -2.195 616 HZ1 LYS 77 HZ1 LYS 77 -12.213 -9.699 0.093 617 HZ2 LYS 77 HZ2 LYS 77 -13.589 -10.194 -0.639 618 HZ3 LYS 77 HZ3 LYS 77 -12.757 -11.226 0.344 619 H ALA 78 H ALA 78 -13.156 -16.283 -3.981 620 HA ALA 78 HA ALA 78 -13.213 -18.225 -6.141 621 HB1 ALA 78 HB1 ALA 78 -15.027 -19.247 -4.796 622 HB2 ALA 78 HB2 ALA 78 -13.652 -18.835 -3.765 623 HB3 ALA 78 HB3 ALA 78 -15.099 -17.803 -3.768 624 H GLN 79 H GLN 79 -15.467 -18.836 -7.018 625 HA GLN 79 HA GLN 79 -17.218 -16.540 -7.658 626 HB2 GLN 79 HB2 GLN 79 -16.059 -18.493 -9.703 627 HB3 GLN 79 HB3 GLN 79 -17.374 -17.355 -10.017 628 HG2 GLN 79 HG2 GLN 79 -15.842 -15.455 -9.483 629 HG3 GLN 79 HG3 GLN 79 -14.515 -16.602 -9.280 630 HE21 GLN 79 HE22 GLN 79 -16.619 -15.003 -11.653 631 HE22 GLN 79 HE21 GLN 79 -15.758 -15.567 -13.066 632 H LEU 80 H LEU 80 -19.326 -17.426 -8.583 633 HA LEU 80 HA LEU 80 -20.029 -20.051 -7.384 634 HB2 LEU 80 HB2 LEU 80 -20.395 -18.100 -5.822 635 HB3 LEU 80 HB3 LEU 80 -21.558 -17.444 -6.973 636 HG LEU 80 HG LEU 80 -23.080 -19.333 -6.573 637 HD11 LEU 80 HD11 LEU 80 -21.563 -21.210 -6.257 638 HD12 LEU 80 HD12 LEU 80 -20.888 -20.464 -4.784 639 HD13 LEU 80 HD13 LEU 80 -22.570 -21.038 -4.826 640 HD21 LEU 80 HD21 LEU 80 -23.147 -17.418 -5.037 641 HD22 LEU 80 HD22 LEU 80 -23.602 -18.924 -4.231 642 HD23 LEU 80 HD23 LEU 80 -21.987 -18.227 -3.962 643 H SER 81 H SER 81 -19.543 -19.346 -10.151 644 HA SER 81 HA SER 81 -22.037 -19.035 -11.557 645 HB2 SER 81 HB2 SER 81 -19.374 -20.007 -12.650 646 HB3 SER 81 HB3 SER 81 -20.686 -19.201 -13.521 647 HG SER 81 HG SER 81 -18.974 -17.746 -13.005 648 H LYS 82 H LYS 82 -22.527 -21.094 -9.811 649 HA LYS 82 HA LYS 82 -22.057 -23.733 -10.819 650 HB2 LYS 82 HB2 LYS 82 -23.761 -24.448 -9.253 651 HB3 LYS 82 HB3 LYS 82 -22.669 -23.298 -8.492 652 HG2 LYS 82 HG2 LYS 82 -24.381 -21.493 -8.785 653 HG3 LYS 82 HG3 LYS 82 -25.471 -22.670 -9.535 654 HD2 LYS 82 HD2 LYS 82 -25.461 -24.007 -7.438 655 HD3 LYS 82 HD3 LYS 82 -24.381 -22.816 -6.690 656 HE2 LYS 82 HE2 LYS 82 -26.098 -21.048 -7.016 657 HE3 LYS 82 HE3 LYS 82 -27.163 -22.216 -7.806 658 HZ1 LYS 82 HZ1 LYS 82 -26.272 -22.390 -4.974 659 HZ2 LYS 82 HZ2 LYS 82 -27.748 -21.899 -5.477 660 HZ3 LYS 82 HZ3 LYS 82 -27.284 -23.442 -5.719 661 H ASP 83 H ASP 83 -24.216 -21.249 -11.850 662 HA ASP 83 HA ASP 83 -24.900 -22.899 -14.147 663 HB2 ASP 83 HB2 ASP 83 -26.993 -23.017 -12.892 664 HB3 ASP 83 HB3 ASP 83 -26.950 -21.275 -12.596 665 H LEU 84 H LEU 84 -25.262 -21.446 -15.963 666 HA LEU 84 HA LEU 84 -24.418 -18.708 -15.902 667 HB2 LEU 84 HB2 LEU 84 -22.228 -19.880 -15.392 668 HB3 LEU 84 HB3 LEU 84 -22.394 -20.767 -16.904 669 HG LEU 84 HG LEU 84 -22.290 -18.594 -18.164 670 HD11 LEU 84 HD11 LEU 84 -23.087 -17.020 -16.448 671 HD12 LEU 84 HD12 LEU 84 -21.706 -17.417 -15.404 672 HD13 LEU 84 HD13 LEU 84 -21.456 -16.574 -16.948 673 HD21 LEU 84 HD21 LEU 84 -19.877 -18.233 -17.798 674 HD22 LEU 84 HD22 LEU 84 -19.966 -19.116 -16.261 675 HD23 LEU 84 HD23 LEU 84 -20.269 -19.958 -17.798 676 H ASP 85 H ASP 85 -24.767 -21.798 -17.687 677 HA ASP 85 HA ASP 85 -25.075 -20.653 -20.297 678 HB2 ASP 85 HB2 ASP 85 -24.510 -23.005 -19.923 679 HB3 ASP 85 HB3 ASP 85 -26.067 -23.284 -19.139 680 H LYS 86 H LYS 86 -27.394 -21.385 -17.646 681 HA LYS 86 HA LYS 86 -29.552 -20.058 -19.224 682 HB2 LYS 86 HB2 LYS 86 -29.566 -22.050 -16.966 683 HB3 LYS 86 HB3 LYS 86 -30.769 -20.792 -16.897 684 HG2 LYS 86 HG2 LYS 86 -31.688 -22.731 -17.952 685 HG3 LYS 86 HG3 LYS 86 -31.571 -21.399 -19.076 686 HD2 LYS 86 HD2 LYS 86 -31.036 -23.434 -20.229 687 HD3 LYS 86 HD3 LYS 86 -29.568 -22.448 -20.139 688 HE2 LYS 86 HE2 LYS 86 -28.773 -23.786 -18.213 689 HE3 LYS 86 HE3 LYS 86 -30.302 -24.682 -18.197 690 HZ1 LYS 86 HZ1 LYS 86 -28.338 -24.694 -20.436 691 HZ2 LYS 86 HZ2 LYS 86 -28.512 -25.905 -19.337 692 HZ3 LYS 86 HZ3 LYS 86 -29.725 -25.579 -20.377 693 H LEU 87 H LEU 87 -30.920 -18.591 -17.796 694 HA LEU 87 HA LEU 87 -29.197 -16.756 -16.249 695 HB2 LEU 87 HB2 LEU 87 -28.967 -16.384 -18.712 696 HB3 LEU 87 HB3 LEU 87 -30.669 -15.919 -18.746 697 HG LEU 87 HG LEU 87 -30.234 -13.985 -17.334 698 HD11 LEU 87 HD11 LEU 87 -28.543 -14.755 -15.722 699 HD12 LEU 87 HD12 LEU 87 -27.409 -15.128 -17.039 700 HD13 LEU 87 HD13 LEU 87 -27.833 -13.441 -16.646 701 HD21 LEU 87 HD21 LEU 87 -28.039 -14.385 -19.383 702 HD22 LEU 87 HD22 LEU 87 -29.709 -13.889 -19.749 703 HD23 LEU 87 HD23 LEU 87 -28.652 -12.807 -18.811 704 H VAL 88 H VAL 88 -30.524 -15.039 -15.204 705 HA VAL 88 HA VAL 88 -33.438 -15.468 -15.112 706 HB VAL 88 HB VAL 88 -33.459 -15.464 -12.682 707 HG11 VAL 88 HG11 VAL 88 -31.481 -17.602 -13.538 708 HG12 VAL 88 HG12 VAL 88 -32.592 -17.633 -12.158 709 HG13 VAL 88 HG13 VAL 88 -33.240 -17.665 -13.807 710 HG21 VAL 88 HG21 VAL 88 -31.434 -15.610 -11.316 711 HG22 VAL 88 HG22 VAL 88 -30.423 -15.372 -12.762 712 HG23 VAL 88 HG23 VAL 88 -31.523 -14.086 -12.200 713 HA PRO 89 HA PRO 89 -33.297 -11.108 -15.395 714 HB2 PRO 89 HB2 PRO 89 -35.557 -10.211 -14.143 715 HB3 PRO 89 HB3 PRO 89 -35.596 -11.204 -15.630 716 HG2 PRO 89 HG2 PRO 89 -35.958 -12.090 -12.764 717 HG3 PRO 89 HG3 PRO 89 -36.934 -12.535 -14.202 718 HD2 PRO 89 HD2 PRO 89 -34.933 -14.096 -13.177 719 HD3 PRO 89 HD3 PRO 89 -35.312 -14.092 -14.914 720 H ARG 90 H ARG 90 -33.166 -8.997 -14.244 721 HA ARG 90 HA ARG 90 -31.457 -8.989 -11.961 722 HB2 ARG 90 HB2 ARG 90 -33.127 -6.792 -13.182 723 HB3 ARG 90 HB3 ARG 90 -31.919 -6.585 -11.917 724 HG2 ARG 90 HG2 ARG 90 -31.419 -7.607 -14.756 725 HG3 ARG 90 HG3 ARG 90 -31.006 -6.046 -14.086 726 HD2 ARG 90 HD2 ARG 90 -29.767 -8.689 -13.271 727 HD3 ARG 90 HD3 ARG 90 -29.031 -7.454 -14.298 728 HE ARG 90 HE ARG 90 -29.686 -6.138 -11.941 729 HH11 ARG 90 HH21 ARG 90 -27.534 -8.829 -12.842 730 HH12 ARG 90 HH22 ARG 90 -26.428 -8.561 -11.544 731 HH21 ARG 90 HH11 ARG 90 -28.225 -5.800 -10.198 732 HH22 ARG 90 HH12 ARG 90 -26.820 -6.789 -10.021 Start of MODEL 7 1 H1 MET 1 H1 MET 1 6.489 0.222 -2.732 2 H2 MET 1 H2 MET 1 6.067 1.383 -3.820 3 H3 MET 1 H3 MET 1 5.028 0.985 -2.632 4 HA MET 1 HA MET 1 5.897 -0.723 -4.867 5 HB2 MET 1 HB2 MET 1 4.511 -2.508 -4.099 6 HB3 MET 1 HB3 MET 1 5.588 -2.055 -2.803 7 HG2 MET 1 HG2 MET 1 3.615 -0.693 -1.843 8 HG3 MET 1 HG3 MET 1 2.607 -1.553 -2.997 9 HE1 MET 1 HE1 MET 1 4.098 -4.463 -2.932 10 HE2 MET 1 HE2 MET 1 3.037 -5.258 -1.755 11 HE3 MET 1 HE3 MET 1 2.340 -4.158 -2.975 12 H GLU 2 H GLU 2 3.612 -1.653 -5.925 13 HA GLU 2 HA GLU 2 2.088 0.780 -6.756 14 HB2 GLU 2 HB2 GLU 2 3.926 -1.134 -8.140 15 HB3 GLU 2 HB3 GLU 2 2.430 -0.920 -8.979 16 HG2 GLU 2 HG2 GLU 2 4.202 1.391 -8.062 17 HG3 GLU 2 HG3 GLU 2 4.282 0.643 -9.653 18 H ILE 3 H ILE 3 -0.170 0.373 -6.803 19 HA ILE 3 HA ILE 3 -1.068 -2.422 -6.224 20 HB ILE 3 HB ILE 3 -2.286 0.141 -5.213 21 HG12 ILE 3 HG12 ILE 3 -0.148 -0.065 -4.088 22 HG13 ILE 3 HG13 ILE 3 -1.496 -0.398 -3.030 23 HG21 ILE 3 HG21 ILE 3 -3.466 -1.439 -3.613 24 HG22 ILE 3 HG22 ILE 3 -3.975 -1.563 -5.285 25 HG23 ILE 3 HG23 ILE 3 -2.881 -2.788 -4.607 26 HD11 ILE 3 HD11 ILE 3 0.414 -2.448 -4.150 27 HD12 ILE 3 HD12 ILE 3 0.270 -1.895 -2.465 28 HD13 ILE 3 HD13 ILE 3 -1.032 -2.849 -3.185 29 H GLU 4 H GLU 4 -3.122 -3.046 -7.264 30 HA GLU 4 HA GLU 4 -4.498 -1.034 -8.941 31 HB2 GLU 4 HB2 GLU 4 -2.901 -2.410 -10.322 32 HB3 GLU 4 HB3 GLU 4 -3.700 -3.848 -9.717 33 HG2 GLU 4 HG2 GLU 4 -4.399 -3.260 -11.921 34 HG3 GLU 4 HG3 GLU 4 -5.776 -3.211 -10.843 35 H ARG 5 H ARG 5 -6.695 -1.548 -9.312 36 HA ARG 5 HA ARG 5 -7.978 -3.517 -7.449 37 HB2 ARG 5 HB2 ARG 5 -8.330 -1.111 -6.843 38 HB3 ARG 5 HB3 ARG 5 -9.012 -0.828 -8.427 39 HG2 ARG 5 HG2 ARG 5 -10.845 -1.041 -6.989 40 HG3 ARG 5 HG3 ARG 5 -10.820 -2.538 -7.900 41 HD2 ARG 5 HD2 ARG 5 -11.353 -3.001 -5.579 42 HD3 ARG 5 HD3 ARG 5 -9.782 -3.684 -5.935 43 HE ARG 5 HE ARG 5 -8.718 -2.027 -4.632 44 HH11 ARG 5 HH21 ARG 5 -12.317 -1.652 -4.439 45 HH12 ARG 5 HH22 ARG 5 -12.196 -0.518 -3.132 46 HH21 ARG 5 HH11 ARG 5 -8.691 -0.436 -2.945 47 HH22 ARG 5 HH12 ARG 5 -10.196 0.109 -2.261 48 H ILE 6 H ILE 6 -7.938 -5.228 -9.063 49 HA ILE 6 HA ILE 6 -8.515 -4.898 -11.822 50 HB ILE 6 HB ILE 6 -8.970 -7.296 -9.999 51 HG12 ILE 6 HG12 ILE 6 -6.687 -6.656 -9.713 52 HG13 ILE 6 HG13 ILE 6 -6.770 -8.054 -10.740 53 HG21 ILE 6 HG21 ILE 6 -8.687 -7.156 -13.017 54 HG22 ILE 6 HG22 ILE 6 -8.664 -8.652 -12.061 55 HG23 ILE 6 HG23 ILE 6 -10.117 -7.649 -12.081 56 HD11 ILE 6 HD11 ILE 6 -6.453 -6.569 -12.753 57 HD12 ILE 6 HD12 ILE 6 -6.248 -5.199 -11.633 58 HD13 ILE 6 HD13 ILE 6 -5.096 -6.531 -11.618 59 H ASN 7 H ASN 7 -10.467 -5.939 -9.085 60 HA ASN 7 HA ASN 7 -12.877 -4.629 -9.951 61 HB2 ASN 7 HB2 ASN 7 -14.313 -6.509 -10.147 62 HB3 ASN 7 HB3 ASN 7 -12.966 -6.858 -11.196 63 HD21 ASN 7 HD22 ASN 7 -14.446 -9.014 -10.657 64 HD22 ASN 7 HD21 ASN 7 -13.732 -10.005 -9.413 65 H GLU 8 H GLU 8 -14.556 -5.839 -7.923 66 HA GLU 8 HA GLU 8 -13.267 -4.554 -5.694 67 HB2 GLU 8 HB2 GLU 8 -15.838 -4.723 -6.518 68 HB3 GLU 8 HB3 GLU 8 -15.852 -6.039 -5.345 69 HG2 GLU 8 HG2 GLU 8 -16.509 -4.082 -4.156 70 HG3 GLU 8 HG3 GLU 8 -14.845 -4.372 -3.666 71 H HIS 9 H HIS 9 -12.674 -7.578 -6.707 72 HA HIS 9 HA HIS 9 -12.480 -8.794 -3.962 73 HB2 HIS 9 HB2 HIS 9 -13.283 -10.159 -6.563 74 HB3 HIS 9 HB3 HIS 9 -13.225 -10.880 -4.959 75 HD1 HIS 9 HD1 HIS 9 -15.783 -9.672 -7.231 76 HD2 HIS 9 HD2 HIS 9 -14.935 -9.171 -3.116 77 HE1 HIS 9 HE1 HIS 9 -17.915 -8.861 -6.144 78 H THR 10 H THR 10 -11.225 -9.049 -7.350 79 HA THR 10 HA THR 10 -8.692 -10.170 -6.370 80 HB THR 10 HB THR 10 -9.578 -9.258 -9.139 81 HG1 THR 10 HG1 THR 10 -10.061 -11.436 -9.454 82 HG21 THR 10 HG21 THR 10 -7.241 -11.068 -8.401 83 HG22 THR 10 HG22 THR 10 -7.721 -10.560 -10.029 84 HG23 THR 10 HG23 THR 10 -7.076 -9.377 -8.887 85 H VAL 11 H VAL 11 -6.860 -8.975 -6.130 86 HA VAL 11 HA VAL 11 -6.747 -6.245 -7.240 87 HB VAL 11 HB VAL 11 -5.520 -5.417 -5.273 88 HG11 VAL 11 HG11 VAL 11 -7.446 -4.952 -3.865 89 HG12 VAL 11 HG12 VAL 11 -7.935 -4.935 -5.565 90 HG13 VAL 11 HG13 VAL 11 -8.335 -6.331 -4.543 91 HG21 VAL 11 HG21 VAL 11 -6.502 -7.906 -3.807 92 HG22 VAL 11 HG22 VAL 11 -4.804 -7.514 -4.216 93 HG23 VAL 11 HG23 VAL 11 -5.695 -6.500 -3.082 94 H LYS 12 H LYS 12 -4.442 -5.686 -7.686 95 HA LYS 12 HA LYS 12 -2.602 -7.916 -7.288 96 HB2 LYS 12 HB2 LYS 12 -1.780 -8.131 -9.415 97 HB3 LYS 12 HB3 LYS 12 -3.518 -8.102 -9.697 98 HG2 LYS 12 HG2 LYS 12 -3.386 -5.816 -10.452 99 HG3 LYS 12 HG3 LYS 12 -1.641 -5.760 -10.139 100 HD2 LYS 12 HD2 LYS 12 -1.282 -7.612 -11.746 101 HD3 LYS 12 HD3 LYS 12 -3.025 -7.659 -12.112 102 HE2 LYS 12 HE2 LYS 12 -2.963 -5.366 -12.959 103 HE3 LYS 12 HE3 LYS 12 -1.320 -5.181 -12.317 104 HZ1 LYS 12 HZ1 LYS 12 -1.985 -7.061 -14.522 105 HZ2 LYS 12 HZ2 LYS 12 -1.357 -5.562 -14.740 106 HZ3 LYS 12 HZ3 LYS 12 -0.478 -6.685 -13.942 107 H PHE 13 H PHE 13 -0.342 -7.132 -7.626 108 HA PHE 13 HA PHE 13 -0.018 -4.238 -7.457 109 HB2 PHE 13 HB2 PHE 13 1.184 -4.360 -5.299 110 HB3 PHE 13 HB3 PHE 13 -0.508 -4.761 -5.136 111 HD1 PHE 13 HD2 PHE 13 -1.187 -7.130 -4.691 112 HD2 PHE 13 HD1 PHE 13 2.936 -5.909 -4.862 113 HE1 PHE 13 HE2 PHE 13 -0.539 -9.115 -3.318 114 HE2 PHE 13 HE1 PHE 13 3.581 -7.835 -3.457 115 HZ PHE 13 HZ PHE 13 1.827 -9.398 -2.602 116 H TYR 14 H TYR 14 2.320 -3.717 -7.477 117 HA TYR 14 HA TYR 14 4.002 -5.880 -8.609 118 HB2 TYR 14 HB2 TYR 14 3.336 -4.612 -10.508 119 HB3 TYR 14 HB3 TYR 14 3.514 -3.091 -9.677 120 HD1 TYR 14 HD2 TYR 14 5.387 -6.042 -10.946 121 HD2 TYR 14 HD1 TYR 14 5.616 -2.017 -9.472 122 HE1 TYR 14 HE2 TYR 14 7.779 -6.033 -11.502 123 HE2 TYR 14 HE1 TYR 14 8.085 -1.987 -9.958 124 HH TYR 14 HH TYR 14 9.882 -3.149 -10.876 125 H MET 15 H MET 15 6.019 -5.902 -7.824 126 HA MET 15 HA MET 15 6.681 -4.000 -5.621 127 HB2 MET 15 HB2 MET 15 5.441 -6.135 -4.899 128 HB3 MET 15 HB3 MET 15 6.861 -7.024 -5.457 129 HG2 MET 15 HG2 MET 15 8.248 -5.903 -3.876 130 HG3 MET 15 HG3 MET 15 6.954 -4.793 -3.463 131 HE1 MET 15 HE1 MET 15 7.564 -5.197 -1.079 132 HE2 MET 15 HE2 MET 15 5.793 -5.062 -1.170 133 HE3 MET 15 HE3 MET 15 6.520 -6.309 -0.130 134 H SER 16 H SER 16 8.454 -3.104 -6.486 135 HA SER 16 HA SER 16 10.424 -4.467 -8.066 136 HB2 SER 16 HB2 SER 16 10.919 -2.021 -6.375 137 HB3 SER 16 HB3 SER 16 11.670 -2.467 -7.921 138 HG SER 16 HG SER 16 10.077 -0.796 -8.151 139 H TYR 17 H TYR 17 12.480 -5.271 -7.382 140 HA TYR 17 HA TYR 17 12.516 -6.755 -5.021 141 HB2 TYR 17 HB2 TYR 17 14.909 -5.677 -6.540 142 HB3 TYR 17 HB3 TYR 17 14.940 -7.018 -5.399 143 HD1 TYR 17 HD2 TYR 17 12.365 -8.465 -6.242 144 HD2 TYR 17 HD1 TYR 17 15.594 -6.736 -8.539 145 HE1 TYR 17 HE2 TYR 17 11.984 -10.110 -8.006 146 HE2 TYR 17 HE1 TYR 17 15.204 -8.374 -10.337 147 HH TYR 17 HH TYR 17 13.907 -10.250 -11.040 148 H GLY 18 H GLY 18 13.631 -3.370 -5.395 149 HA2 GLY 18 HA2 GLY 18 14.848 -3.475 -2.789 150 HA3 GLY 18 HA3 GLY 18 14.672 -2.056 -3.764 151 H ASP 19 H ASP 19 11.505 -3.119 -3.700 152 HA ASP 19 HA ASP 19 10.741 -1.556 -1.340 153 HB2 ASP 19 HB2 ASP 19 9.269 -2.132 -3.471 154 HB3 ASP 19 HB3 ASP 19 9.014 -3.675 -2.700 155 H ILE 20 H ILE 20 11.144 -4.954 -2.225 156 HA ILE 20 HA ILE 20 10.450 -6.137 0.291 157 HB ILE 20 HB ILE 20 12.012 -7.022 -2.171 158 HG12 ILE 20 HG12 ILE 20 9.415 -8.238 -1.271 159 HG13 ILE 20 HG13 ILE 20 9.385 -6.605 -1.929 160 HG21 ILE 20 HG21 ILE 20 12.957 -8.279 -0.337 161 HG22 ILE 20 HG22 ILE 20 11.324 -8.730 0.227 162 HG23 ILE 20 HG23 ILE 20 11.914 -9.317 -1.335 163 HD11 ILE 20 HD11 ILE 20 10.398 -7.311 -4.014 164 HD12 ILE 20 HD12 ILE 20 10.533 -8.988 -3.414 165 HD13 ILE 20 HD13 ILE 20 8.939 -8.231 -3.685 166 H GLU 21 H GLU 21 13.582 -5.094 -1.187 167 HA GLU 21 HA GLU 21 15.142 -5.997 0.980 168 HB2 GLU 21 HB2 GLU 21 16.841 -5.415 -0.272 169 HB3 GLU 21 HB3 GLU 21 15.684 -5.216 -1.560 170 HG2 GLU 21 HG2 GLU 21 15.623 -2.788 -0.922 171 HG3 GLU 21 HG3 GLU 21 16.795 -3.136 0.307 172 H ASP 22 H ASP 22 13.533 -2.901 0.429 173 HA ASP 22 HA ASP 22 14.810 -1.396 2.442 174 HB2 ASP 22 HB2 ASP 22 13.237 -0.473 0.739 175 HB3 ASP 22 HB3 ASP 22 11.896 -1.224 1.580 176 H ARG 23 H ARG 23 11.999 -3.479 2.545 177 HA ARG 23 HA ARG 23 11.333 -3.167 5.336 178 HB2 ARG 23 HB2 ARG 23 10.793 -5.455 3.396 179 HB3 ARG 23 HB3 ARG 23 9.999 -5.241 4.967 180 HG2 ARG 23 HG2 ARG 23 8.739 -3.404 4.251 181 HG3 ARG 23 HG3 ARG 23 9.795 -3.079 2.875 182 HD2 ARG 23 HD2 ARG 23 9.121 -5.233 1.831 183 HD3 ARG 23 HD3 ARG 23 7.929 -5.499 3.092 184 HE ARG 23 HE ARG 23 7.860 -3.632 0.828 185 HH11 ARG 23 HH11 ARG 23 6.434 -4.060 4.091 186 HH12 ARG 23 HH12 ARG 23 5.221 -2.848 3.813 187 HH21 ARG 23 HH21 ARG 23 6.303 -2.264 0.457 188 HH22 ARG 23 HH22 ARG 23 5.070 -1.835 1.638 189 H GLY 24 H GLY 24 14.008 -4.657 3.792 190 HA2 GLY 24 HA2 GLY 24 15.795 -5.731 4.717 191 HA3 GLY 24 HA3 GLY 24 14.924 -5.891 6.241 192 H PHE 25 H PHE 25 13.089 -6.957 3.548 193 HA PHE 25 HA PHE 25 13.525 -9.830 4.167 194 HB2 PHE 25 HB2 PHE 25 11.496 -8.367 2.425 195 HB3 PHE 25 HB3 PHE 25 11.600 -10.118 2.568 196 HD1 PHE 25 HD2 PHE 25 11.313 -7.102 4.809 197 HD2 PHE 25 HD1 PHE 25 9.975 -11.133 4.037 198 HE1 PHE 25 HE2 PHE 25 9.874 -6.980 6.775 199 HE2 PHE 25 HE1 PHE 25 8.524 -10.987 5.995 200 HZ PHE 25 HZ PHE 25 8.457 -8.932 7.405 201 H ASP 26 H ASP 26 13.402 -11.085 1.766 202 HA ASP 26 HA ASP 26 15.294 -9.726 -0.090 203 HB2 ASP 26 HB2 ASP 26 16.334 -11.589 1.573 204 HB3 ASP 26 HB3 ASP 26 15.589 -12.662 0.407 205 H ARG 27 H ARG 27 14.944 -10.404 -2.284 206 HA ARG 27 HA ARG 27 12.233 -10.989 -2.855 207 HB2 ARG 27 HB2 ARG 27 12.904 -11.022 -5.194 208 HB3 ARG 27 HB3 ARG 27 13.803 -9.749 -4.363 209 HG2 ARG 27 HG2 ARG 27 15.762 -11.346 -4.176 210 HG3 ARG 27 HG3 ARG 27 14.851 -12.496 -5.173 211 HD2 ARG 27 HD2 ARG 27 14.829 -10.906 -7.031 212 HD3 ARG 27 HD3 ARG 27 15.652 -9.690 -6.026 213 HE ARG 27 HE ARG 27 17.138 -12.148 -6.091 214 HH11 ARG 27 HH11 ARG 27 16.463 -9.317 -8.119 215 HH12 ARG 27 HH12 ARG 27 17.981 -9.381 -8.953 216 HH21 ARG 27 HH21 ARG 27 19.128 -12.269 -7.229 217 HH22 ARG 27 HH22 ARG 27 19.516 -11.104 -8.443 218 H GLU 28 H GLU 28 14.954 -13.223 -2.470 219 HA GLU 28 HA GLU 28 13.303 -15.503 -3.364 220 HB2 GLU 28 HB2 GLU 28 16.042 -15.343 -2.076 221 HB3 GLU 28 HB3 GLU 28 15.251 -16.834 -2.553 222 HG2 GLU 28 HG2 GLU 28 15.108 -15.944 -4.913 223 HG3 GLU 28 HG3 GLU 28 16.079 -14.565 -4.398 224 H GLU 29 H GLU 29 14.597 -14.132 -0.291 225 HA GLU 29 HA GLU 29 13.776 -16.215 1.381 226 HB2 GLU 29 HB2 GLU 29 14.118 -13.234 1.895 227 HB3 GLU 29 HB3 GLU 29 13.834 -14.317 3.202 228 HG2 GLU 29 HG2 GLU 29 16.152 -14.881 1.342 229 HG3 GLU 29 HG3 GLU 29 16.228 -13.652 2.592 230 H ILE 30 H ILE 30 11.960 -13.429 0.334 231 HA ILE 30 HA ILE 30 9.571 -13.611 1.771 232 HB ILE 30 HB ILE 30 10.111 -13.074 -1.148 233 HG12 ILE 30 HG12 ILE 30 10.775 -11.499 0.844 234 HG13 ILE 30 HG13 ILE 30 10.111 -10.894 -0.648 235 HG21 ILE 30 HG21 ILE 30 7.851 -13.876 -1.251 236 HG22 ILE 30 HG22 ILE 30 7.364 -12.916 0.157 237 HG23 ILE 30 HG23 ILE 30 7.824 -12.119 -1.376 238 HD11 ILE 30 HD11 ILE 30 9.203 -9.767 1.425 239 HD12 ILE 30 HD12 ILE 30 7.931 -10.477 0.438 240 HD13 ILE 30 HD13 ILE 30 8.476 -11.314 1.911 241 H TRP 31 H TRP 31 10.446 -15.584 -1.125 242 HA TRP 31 HA TRP 31 7.983 -17.091 -0.991 243 HB2 TRP 31 HB2 TRP 31 10.482 -17.657 -2.592 244 HB3 TRP 31 HB3 TRP 31 8.883 -18.310 -2.903 245 HD1 TRP 31 HD1 TRP 31 11.065 -15.806 -4.178 246 HE1 TRP 31 HE1 TRP 31 9.918 -13.796 -5.243 247 HE3 TRP 31 HE3 TRP 31 6.251 -16.733 -2.663 248 HZ2 TRP 31 HZ2 TRP 31 7.283 -12.575 -5.192 249 HZ3 TRP 31 HZ3 TRP 31 4.428 -15.167 -3.290 250 HH2 TRP 31 HH2 TRP 31 4.916 -13.089 -4.530 251 H TYR 32 H TYR 32 11.011 -17.495 0.617 252 HA TYR 32 HA TYR 32 10.599 -20.437 0.871 253 HB2 TYR 32 HB2 TYR 32 13.151 -18.799 0.932 254 HB3 TYR 32 HB3 TYR 32 13.061 -20.546 1.079 255 HD1 TYR 32 HD1 TYR 32 11.371 -21.607 -0.902 256 HD2 TYR 32 HD2 TYR 32 13.981 -18.195 -1.183 257 HE1 TYR 32 HE1 TYR 32 11.405 -21.844 -3.348 258 HE2 TYR 32 HE2 TYR 32 13.936 -18.342 -3.644 259 HH TYR 32 HH TYR 32 13.180 -19.561 -5.511 260 H ASN 33 H ASN 33 9.945 -17.840 2.704 261 HA ASN 33 HA ASN 33 10.297 -19.350 5.245 262 HB2 ASN 33 HB2 ASN 33 10.717 -16.394 4.636 263 HB3 ASN 33 HB3 ASN 33 10.576 -17.033 6.254 264 HD21 ASN 33 HD22 ASN 33 12.539 -16.666 3.468 265 HD22 ASN 33 HD21 ASN 33 14.061 -17.241 4.121 266 H ARG 34 H ARG 34 8.072 -20.079 4.982 267 HA ARG 34 HA ARG 34 6.072 -18.782 3.687 268 HB2 ARG 34 HB2 ARG 34 5.944 -21.086 4.373 269 HB3 ARG 34 HB3 ARG 34 5.815 -20.642 6.080 270 HG2 ARG 34 HG2 ARG 34 3.627 -19.669 5.750 271 HG3 ARG 34 HG3 ARG 34 3.770 -19.790 3.986 272 HD2 ARG 34 HD2 ARG 34 3.790 -22.256 4.156 273 HD3 ARG 34 HD3 ARG 34 3.743 -22.140 5.928 274 HE ARG 34 HE ARG 34 1.537 -20.700 4.860 275 HH11 ARG 34 HH11 ARG 34 2.621 -24.073 5.172 276 HH12 ARG 34 HH12 ARG 34 1.027 -24.737 5.169 277 HH21 ARG 34 HH21 ARG 34 -0.592 -21.581 4.879 278 HH22 ARG 34 HH22 ARG 34 -0.839 -23.284 5.000 279 H GLU 35 H GLU 35 6.655 -18.356 7.236 280 HA GLU 35 HA GLU 35 4.349 -16.666 7.446 281 HB2 GLU 35 HB2 GLU 35 4.925 -16.372 9.703 282 HB3 GLU 35 HB3 GLU 35 5.544 -17.971 9.314 283 HG2 GLU 35 HG2 GLU 35 7.819 -16.692 8.867 284 HG3 GLU 35 HG3 GLU 35 7.060 -15.371 9.734 285 H ARG 36 H ARG 36 7.661 -16.033 6.468 286 HA ARG 36 HA ARG 36 7.451 -13.151 6.866 287 HB2 ARG 36 HB2 ARG 36 9.578 -14.841 5.552 288 HB3 ARG 36 HB3 ARG 36 9.643 -13.126 5.738 289 HG2 ARG 36 HG2 ARG 36 9.839 -15.237 7.882 290 HG3 ARG 36 HG3 ARG 36 10.948 -13.923 7.502 291 HD2 ARG 36 HD2 ARG 36 9.321 -12.262 8.390 292 HD3 ARG 36 HD3 ARG 36 8.211 -13.583 8.789 293 HE ARG 36 HE ARG 36 10.862 -13.862 9.951 294 HH11 ARG 36 HH11 ARG 36 7.577 -12.464 10.464 295 HH12 ARG 36 HH12 ARG 36 7.745 -12.454 12.181 296 HH21 ARG 36 HH21 ARG 36 11.030 -13.803 12.237 297 HH22 ARG 36 HH22 ARG 36 9.737 -13.206 13.208 298 H SER 37 H SER 37 6.672 -15.542 4.381 299 HA SER 37 HA SER 37 6.534 -13.586 2.256 300 HB2 SER 37 HB2 SER 37 4.457 -15.651 2.116 301 HB3 SER 37 HB3 SER 37 5.689 -15.207 0.953 302 HG SER 37 HG SER 37 7.166 -16.446 2.047 303 H GLU 38 H GLU 38 4.226 -14.883 4.707 304 HA GLU 38 HA GLU 38 1.936 -13.682 3.876 305 HB2 GLU 38 HB2 GLU 38 2.548 -15.388 5.808 306 HB3 GLU 38 HB3 GLU 38 2.513 -13.934 6.827 307 HG2 GLU 38 HG2 GLU 38 0.248 -13.432 5.907 308 HG3 GLU 38 HG3 GLU 38 0.288 -14.942 4.999 309 H GLU 39 H GLU 39 4.496 -12.085 5.782 310 HA GLU 39 HA GLU 39 3.076 -9.853 6.693 311 HB2 GLU 39 HB2 GLU 39 5.907 -9.544 5.733 312 HB3 GLU 39 HB3 GLU 39 5.191 -8.967 7.219 313 HG2 GLU 39 HG2 GLU 39 5.994 -11.818 6.651 314 HG3 GLU 39 HG3 GLU 39 6.951 -10.642 7.434 315 H LEU 40 H LEU 40 4.453 -10.573 3.556 316 HA LEU 40 HA LEU 40 4.386 -8.000 2.348 317 HB2 LEU 40 HB2 LEU 40 5.501 -10.093 1.449 318 HB3 LEU 40 HB3 LEU 40 3.905 -10.699 1.091 319 HG LEU 40 HG LEU 40 5.626 -8.952 -0.475 320 HD11 LEU 40 HD11 LEU 40 3.143 -10.516 -1.167 321 HD12 LEU 40 HD12 LEU 40 4.333 -9.828 -2.304 322 HD13 LEU 40 HD13 LEU 40 4.808 -11.115 -1.191 323 HD21 LEU 40 HD21 LEU 40 2.725 -8.063 -0.498 324 HD22 LEU 40 HD22 LEU 40 4.047 -7.146 0.289 325 HD23 LEU 40 HD23 LEU 40 4.082 -7.433 -1.427 326 H PHE 41 H PHE 41 2.073 -10.698 2.456 327 HA PHE 41 HA PHE 41 0.088 -9.442 0.876 328 HB2 PHE 41 HB2 PHE 41 -0.135 -11.805 2.765 329 HB3 PHE 41 HB3 PHE 41 -1.300 -11.356 1.521 330 HD1 PHE 41 HD1 PHE 41 2.126 -12.552 2.141 331 HD2 PHE 41 HD2 PHE 41 -0.739 -11.561 -0.883 332 HE1 PHE 41 HE1 PHE 41 3.566 -13.672 0.435 333 HE2 PHE 41 HE2 PHE 41 0.704 -12.611 -2.598 334 HZ PHE 41 HZ PHE 41 2.852 -13.692 -1.951 335 H TRP 42 H TRP 42 0.606 -9.738 4.393 336 HA TRP 42 HA TRP 42 -1.774 -8.462 5.228 337 HB2 TRP 42 HB2 TRP 42 0.992 -8.740 6.400 338 HB3 TRP 42 HB3 TRP 42 -0.194 -7.729 7.196 339 HD1 TRP 42 HD1 TRP 42 0.863 -11.262 7.005 340 HE1 TRP 42 HE1 TRP 42 -0.813 -12.838 8.101 341 HE3 TRP 42 HE3 TRP 42 -3.054 -7.999 7.486 342 HZ2 TRP 42 HZ2 TRP 42 -3.578 -12.708 9.034 343 HZ3 TRP 42 HZ3 TRP 42 -5.222 -8.772 8.419 344 HH2 TRP 42 HH2 TRP 42 -5.496 -11.118 9.186 345 H GLU 43 H GLU 43 1.239 -6.920 3.887 346 HA GLU 43 HA GLU 43 0.440 -4.278 4.654 347 HB2 GLU 43 HB2 GLU 43 2.780 -5.025 4.045 348 HB3 GLU 43 HB3 GLU 43 2.233 -5.216 2.378 349 HG2 GLU 43 HG2 GLU 43 3.274 -3.208 2.360 350 HG3 GLU 43 HG3 GLU 43 1.591 -2.738 2.414 351 H VAL 44 H VAL 44 -0.075 -6.279 1.651 352 HA VAL 44 HA VAL 44 -1.190 -4.031 0.255 353 HB VAL 44 HB VAL 44 -1.857 -5.794 -1.369 354 HG11 VAL 44 HG11 VAL 44 0.303 -4.463 -1.475 355 HG12 VAL 44 HG12 VAL 44 1.081 -5.731 -0.487 356 HG13 VAL 44 HG13 VAL 44 0.520 -6.101 -2.115 357 HG21 VAL 44 HG21 VAL 44 -0.835 -7.982 -1.298 358 HG22 VAL 44 HG22 VAL 44 -0.106 -7.582 0.257 359 HG23 VAL 44 HG23 VAL 44 -1.889 -7.784 0.096 360 H MET 45 H MET 45 -2.571 -6.822 1.954 361 HA MET 45 HA MET 45 -5.327 -6.161 1.582 362 HB2 MET 45 HB2 MET 45 -3.786 -7.471 3.869 363 HB3 MET 45 HB3 MET 45 -5.537 -7.371 3.813 364 HG2 MET 45 HG2 MET 45 -3.873 -8.747 1.663 365 HG3 MET 45 HG3 MET 45 -4.521 -9.525 3.093 366 HE1 MET 45 HE1 MET 45 -5.039 -9.049 -0.571 367 HE2 MET 45 HE2 MET 45 -6.760 -8.672 -0.812 368 HE3 MET 45 HE3 MET 45 -5.664 -7.427 -0.177 369 H ASP 46 H ASP 46 -2.893 -5.050 4.045 370 HA ASP 46 HA ASP 46 -4.644 -3.409 5.517 371 HB2 ASP 46 HB2 ASP 46 -2.416 -3.870 6.297 372 HB3 ASP 46 HB3 ASP 46 -1.703 -2.932 4.993 373 H GLU 47 H GLU 47 -2.811 -2.673 2.536 374 HA GLU 47 HA GLU 47 -3.502 0.025 2.214 375 HB2 GLU 47 HB2 GLU 47 -2.329 -2.210 0.651 376 HB3 GLU 47 HB3 GLU 47 -3.237 -1.124 -0.341 377 HG2 GLU 47 HG2 GLU 47 -0.903 -0.406 1.471 378 HG3 GLU 47 HG3 GLU 47 -0.860 -0.587 -0.262 379 H VAL 48 H VAL 48 -5.592 -2.611 2.199 380 HA VAL 48 HA VAL 48 -7.672 -1.186 0.599 381 HB VAL 48 HB VAL 48 -7.202 -4.195 0.816 382 HG11 VAL 48 HG11 VAL 48 -8.876 -4.347 -1.051 383 HG12 VAL 48 HG12 VAL 48 -9.577 -3.786 0.456 384 HG13 VAL 48 HG13 VAL 48 -9.228 -2.617 -0.832 385 HG21 VAL 48 HG21 VAL 48 -6.585 -4.151 -1.545 386 HG22 VAL 48 HG22 VAL 48 -6.805 -2.385 -1.614 387 HG23 VAL 48 HG23 VAL 48 -5.498 -3.099 -0.657 388 H HIS 49 H HIS 49 -6.742 -2.261 3.700 389 HA HIS 49 HA HIS 49 -8.876 -3.654 4.593 390 HB2 HIS 49 HB2 HIS 49 -6.689 -3.315 5.707 391 HB3 HIS 49 HB3 HIS 49 -7.316 -1.818 6.403 392 HD1 HIS 49 HD1 HIS 49 -8.551 -2.265 8.732 393 HD2 HIS 49 HD2 HIS 49 -8.347 -5.579 6.144 394 HE1 HIS 49 HE1 HIS 49 -9.600 -4.216 9.986 395 H GLU 50 H GLU 50 -8.936 -0.107 4.313 396 HA GLU 50 HA GLU 50 -11.192 0.262 6.045 397 HB2 GLU 50 HB2 GLU 50 -10.205 1.893 3.665 398 HB3 GLU 50 HB3 GLU 50 -11.467 2.425 4.788 399 HG2 GLU 50 HG2 GLU 50 -9.842 2.246 6.681 400 HG3 GLU 50 HG3 GLU 50 -8.564 1.840 5.529 401 H GLU 51 H GLU 51 -10.988 -1.201 2.939 402 HA GLU 51 HA GLU 51 -13.941 -1.100 2.573 403 HB2 GLU 51 HB2 GLU 51 -11.638 -1.587 0.639 404 HB3 GLU 51 HB3 GLU 51 -13.344 -1.860 0.246 405 HG2 GLU 51 HG2 GLU 51 -13.886 0.473 0.615 406 HG3 GLU 51 HG3 GLU 51 -12.280 0.818 1.233 407 H GLU 52 H GLU 52 -10.992 -3.184 2.632 408 HA GLU 52 HA GLU 52 -12.241 -5.684 2.313 409 HB2 GLU 52 HB2 GLU 52 -9.632 -4.626 2.950 410 HB3 GLU 52 HB3 GLU 52 -9.969 -5.953 4.052 411 HG2 GLU 52 HG2 GLU 52 -10.158 -6.034 1.011 412 HG3 GLU 52 HG3 GLU 52 -8.770 -6.530 1.967 413 H GLU 53 H GLU 53 -12.088 -3.609 5.258 414 HA GLU 53 HA GLU 53 -12.688 -5.589 7.138 415 HB2 GLU 53 HB2 GLU 53 -13.586 -3.822 8.532 416 HB3 GLU 53 HB3 GLU 53 -12.090 -3.311 7.771 417 HG2 GLU 53 HG2 GLU 53 -13.369 -1.959 6.131 418 HG3 GLU 53 HG3 GLU 53 -14.885 -2.541 6.815 419 H PHE 54 H PHE 54 -14.759 -4.364 4.592 420 HA PHE 54 HA PHE 54 -17.258 -5.232 5.834 421 HB2 PHE 54 HB2 PHE 54 -17.000 -3.311 4.218 422 HB3 PHE 54 HB3 PHE 54 -16.645 -4.479 2.949 423 HD1 PHE 54 HD1 PHE 54 -19.256 -3.537 5.487 424 HD2 PHE 54 HD2 PHE 54 -18.444 -5.382 1.669 425 HE1 PHE 54 HE1 PHE 54 -21.698 -3.733 5.061 426 HE2 PHE 54 HE2 PHE 54 -20.879 -5.565 1.241 427 HZ PHE 54 HZ PHE 54 -22.512 -4.745 2.937 428 H ALA 55 H ALA 55 -14.653 -6.851 4.256 429 HA ALA 55 HA ALA 55 -16.368 -9.112 3.359 430 HB1 ALA 55 HB1 ALA 55 -15.177 -9.071 1.202 431 HB2 ALA 55 HB2 ALA 55 -15.968 -7.516 1.481 432 HB3 ALA 55 HB3 ALA 55 -14.212 -7.680 1.742 433 H VAL 56 H VAL 56 -13.950 -8.416 5.404 434 HA VAL 56 HA VAL 56 -12.230 -10.645 4.817 435 HB VAL 56 HB VAL 56 -11.297 -8.691 5.786 436 HG11 VAL 56 HG11 VAL 56 -12.912 -9.134 8.315 437 HG12 VAL 56 HG12 VAL 56 -11.677 -7.894 8.017 438 HG13 VAL 56 HG13 VAL 56 -13.206 -7.857 7.125 439 HG21 VAL 56 HG21 VAL 56 -11.216 -10.983 7.769 440 HG22 VAL 56 HG22 VAL 56 -10.320 -10.904 6.246 441 HG23 VAL 56 HG23 VAL 56 -9.977 -9.726 7.539 442 H GLU 57 H GLU 57 -14.082 -12.036 4.481 443 HA GLU 57 HA GLU 57 -14.652 -13.721 6.827 444 HB2 GLU 57 HB2 GLU 57 -17.111 -13.505 6.413 445 HB3 GLU 57 HB3 GLU 57 -16.372 -12.079 7.093 446 HG2 GLU 57 HG2 GLU 57 -16.581 -10.810 5.157 447 HG3 GLU 57 HG3 GLU 57 -16.642 -12.204 4.092 448 H GLY 58 H GLY 58 -13.105 -14.054 4.371 449 HA2 GLY 58 HA2 GLY 58 -14.244 -16.511 3.367 450 HA3 GLY 58 HA3 GLY 58 -14.290 -15.209 2.170 451 HA PRO 59 HA PRO 59 -10.158 -17.440 2.343 452 HB2 PRO 59 HB2 PRO 59 -10.074 -18.491 -0.188 453 HB3 PRO 59 HB3 PRO 59 -10.949 -19.253 1.172 454 HG2 PRO 59 HG2 PRO 59 -12.081 -17.433 -0.980 455 HG3 PRO 59 HG3 PRO 59 -12.694 -19.023 -0.410 456 HD2 PRO 59 HD2 PRO 59 -13.726 -16.702 0.515 457 HD3 PRO 59 HD3 PRO 59 -13.524 -18.137 1.569 458 H LEU 60 H LEU 60 -8.224 -17.196 0.860 459 HA LEU 60 HA LEU 60 -8.244 -14.893 -0.970 460 HB2 LEU 60 HB2 LEU 60 -7.332 -14.164 1.348 461 HB3 LEU 60 HB3 LEU 60 -6.037 -15.338 1.068 462 HG LEU 60 HG LEU 60 -5.303 -14.072 -0.932 463 HD11 LEU 60 HD11 LEU 60 -7.500 -12.100 -0.155 464 HD12 LEU 60 HD12 LEU 60 -6.191 -11.756 -1.309 465 HD13 LEU 60 HD13 LEU 60 -7.378 -12.999 -1.682 466 HD21 LEU 60 HD21 LEU 60 -5.562 -12.339 1.556 467 HD22 LEU 60 HD22 LEU 60 -4.324 -13.585 1.275 468 HD23 LEU 60 HD23 LEU 60 -4.370 -12.144 0.247 469 H TRP 61 H TRP 61 -6.534 -15.122 -2.536 470 HA TRP 61 HA TRP 61 -5.322 -17.817 -2.838 471 HB2 TRP 61 HB2 TRP 61 -7.132 -16.196 -4.629 472 HB3 TRP 61 HB3 TRP 61 -6.291 -17.552 -5.272 473 HD1 TRP 61 HD1 TRP 61 -9.249 -16.463 -3.174 474 HE1 TRP 61 HE1 TRP 61 -10.886 -18.421 -2.803 475 HE3 TRP 61 HE3 TRP 61 -6.405 -20.203 -5.090 476 HZ2 TRP 61 HZ2 TRP 61 -10.923 -21.298 -3.294 477 HZ3 TRP 61 HZ3 TRP 61 -7.242 -22.563 -5.150 478 HH2 TRP 61 HH2 TRP 61 -9.493 -23.107 -4.242 479 H ILE 62 H ILE 62 -3.446 -17.684 -4.354 480 HA ILE 62 HA ILE 62 -2.540 -14.900 -4.879 481 HB ILE 62 HB ILE 62 -0.692 -17.024 -3.805 482 HG12 ILE 62 HG12 ILE 62 -2.352 -16.874 -2.005 483 HG13 ILE 62 HG13 ILE 62 -0.760 -16.332 -1.561 484 HG21 ILE 62 HG21 ILE 62 -0.550 -13.982 -3.892 485 HG22 ILE 62 HG22 ILE 62 0.633 -15.029 -3.072 486 HG23 ILE 62 HG23 ILE 62 0.411 -15.141 -4.819 487 HD11 ILE 62 HD11 ILE 62 -1.484 -13.968 -1.661 488 HD12 ILE 62 HD12 ILE 62 -3.122 -14.483 -2.085 489 HD13 ILE 62 HD13 ILE 62 -2.434 -14.927 -0.524 490 H GLN 63 H GLN 63 -1.364 -14.617 -6.706 491 HA GLN 63 HA GLN 63 -0.013 -16.901 -8.031 492 HB2 GLN 63 HB2 GLN 63 -2.116 -16.526 -9.268 493 HB3 GLN 63 HB3 GLN 63 -1.814 -14.800 -9.318 494 HG2 GLN 63 HG2 GLN 63 0.251 -15.286 -10.747 495 HG3 GLN 63 HG3 GLN 63 -0.293 -16.968 -10.815 496 HE21 GLN 63 HE22 GLN 63 -2.198 -17.441 -12.154 497 HE22 GLN 63 HE21 GLN 63 -2.879 -16.229 -13.213 498 H VAL 64 H VAL 64 2.022 -16.127 -9.045 499 HA VAL 64 HA VAL 64 2.604 -13.248 -8.819 500 HB VAL 64 HB VAL 64 3.355 -14.228 -6.709 501 HG11 VAL 64 HG11 VAL 64 4.016 -16.507 -7.455 502 HG12 VAL 64 HG12 VAL 64 5.374 -15.806 -8.370 503 HG13 VAL 64 HG13 VAL 64 5.323 -15.674 -6.602 504 HG21 VAL 64 HG21 VAL 64 5.491 -13.156 -6.700 505 HG22 VAL 64 HG22 VAL 64 5.685 -13.307 -8.437 506 HG23 VAL 64 HG23 VAL 64 4.433 -12.237 -7.755 507 H GLN 65 H GLN 65 4.387 -12.601 -10.319 508 HA GLN 65 HA GLN 65 5.848 -14.781 -11.567 509 HB2 GLN 65 HB2 GLN 65 5.819 -13.591 -13.758 510 HB3 GLN 65 HB3 GLN 65 4.341 -14.461 -13.395 511 HG2 GLN 65 HG2 GLN 65 4.498 -11.493 -12.761 512 HG3 GLN 65 HG3 GLN 65 4.344 -12.005 -14.427 513 HE21 GLN 65 HE22 GLN 65 2.582 -11.657 -11.406 514 HE22 GLN 65 HE21 GLN 65 1.056 -12.165 -12.116 515 H ALA 66 H ALA 66 7.956 -14.015 -12.173 516 HA ALA 66 HA ALA 66 8.717 -11.456 -10.838 517 HB1 ALA 66 HB1 ALA 66 10.974 -12.324 -10.796 518 HB2 ALA 66 HB2 ALA 66 9.885 -13.486 -10.037 519 HB3 ALA 66 HB3 ALA 66 10.479 -13.782 -11.691 520 H LEU 67 H LEU 67 9.807 -9.935 -11.925 521 HA LEU 67 HA LEU 67 9.831 -9.915 -14.898 522 HB2 LEU 67 HB2 LEU 67 9.029 -7.748 -12.880 523 HB3 LEU 67 HB3 LEU 67 9.178 -7.494 -14.596 524 HG LEU 67 HG LEU 67 7.457 -9.643 -14.610 525 HD11 LEU 67 HD11 LEU 67 5.718 -9.221 -12.960 526 HD12 LEU 67 HD12 LEU 67 7.228 -9.762 -12.236 527 HD13 LEU 67 HD13 LEU 67 6.782 -8.039 -12.156 528 HD21 LEU 67 HD21 LEU 67 7.112 -7.489 -15.812 529 HD22 LEU 67 HD22 LEU 67 5.646 -8.020 -14.966 530 HD23 LEU 67 HD23 LEU 67 6.645 -6.724 -14.267 531 H ASP 68 H ASP 68 11.177 -7.548 -15.287 532 HA ASP 68 HA ASP 68 13.765 -8.523 -15.069 533 HB2 ASP 68 HB2 ASP 68 12.951 -6.892 -16.763 534 HB3 ASP 68 HB3 ASP 68 13.040 -5.616 -15.543 535 H LYS 69 H LYS 69 12.243 -6.119 -12.900 536 HA LYS 69 HA LYS 69 14.487 -6.484 -10.990 537 HB2 LYS 69 HB2 LYS 69 13.438 -3.808 -11.903 538 HB3 LYS 69 HB3 LYS 69 14.527 -4.026 -10.542 539 HG2 LYS 69 HG2 LYS 69 15.177 -4.724 -13.412 540 HG3 LYS 69 HG3 LYS 69 15.689 -3.289 -12.556 541 HD2 LYS 69 HD2 LYS 69 16.939 -4.691 -10.912 542 HD3 LYS 69 HD3 LYS 69 16.515 -6.136 -11.784 543 HE2 LYS 69 HE2 LYS 69 18.016 -3.816 -13.057 544 HE3 LYS 69 HE3 LYS 69 18.798 -5.225 -12.329 545 HZ1 LYS 69 HZ1 LYS 69 16.923 -5.352 -14.643 546 HZ2 LYS 69 HZ2 LYS 69 18.556 -5.491 -14.714 547 HZ3 LYS 69 HZ3 LYS 69 17.675 -6.631 -13.948 548 H GLY 70 H GLY 70 11.667 -7.486 -11.035 549 HA2 GLY 70 HA2 GLY 70 10.924 -6.942 -8.334 550 HA3 GLY 70 HA3 GLY 70 9.954 -5.954 -9.418 551 H LEU 71 H LEU 71 8.270 -7.383 -8.344 552 HA LEU 71 HA LEU 71 7.660 -9.658 -10.184 553 HB2 LEU 71 HB2 LEU 71 7.130 -9.645 -7.193 554 HB3 LEU 71 HB3 LEU 71 6.668 -10.888 -8.339 555 HG LEU 71 HG LEU 71 9.481 -10.638 -8.675 556 HD11 LEU 71 HD11 LEU 71 9.535 -9.305 -6.600 557 HD12 LEU 71 HD12 LEU 71 8.717 -10.615 -5.720 558 HD13 LEU 71 HD13 LEU 71 10.346 -10.874 -6.381 559 HD21 LEU 71 HD21 LEU 71 9.574 -12.876 -7.725 560 HD22 LEU 71 HD22 LEU 71 7.919 -12.710 -7.115 561 HD23 LEU 71 HD23 LEU 71 8.196 -12.705 -8.834 562 H GLU 72 H GLU 72 5.529 -9.816 -10.702 563 HA GLU 72 HA GLU 72 3.615 -7.811 -9.568 564 HB2 GLU 72 HB2 GLU 72 3.390 -9.492 -12.096 565 HB3 GLU 72 HB3 GLU 72 2.003 -8.786 -11.298 566 HG2 GLU 72 HG2 GLU 72 2.917 -6.511 -11.570 567 HG3 GLU 72 HG3 GLU 72 4.266 -7.178 -12.492 568 H ILE 73 H ILE 73 2.196 -8.575 -8.155 569 HA ILE 73 HA ILE 73 1.872 -11.494 -7.835 570 HB ILE 73 HB ILE 73 1.609 -9.363 -5.716 571 HG12 ILE 73 HG12 ILE 73 3.506 -10.209 -4.480 572 HG13 ILE 73 HG13 ILE 73 3.935 -11.337 -5.703 573 HG21 ILE 73 HG21 ILE 73 1.649 -12.414 -5.512 574 HG22 ILE 73 HG22 ILE 73 1.503 -11.286 -4.145 575 HG23 ILE 73 HG23 ILE 73 0.223 -11.370 -5.349 576 HD11 ILE 73 HD11 ILE 73 3.924 -8.322 -6.166 577 HD12 ILE 73 HD12 ILE 73 5.316 -9.215 -5.523 578 HD13 ILE 73 HD13 ILE 73 4.724 -9.582 -7.145 579 H ILE 74 H ILE 74 -0.253 -12.103 -8.062 580 HA ILE 74 HA ILE 74 -2.440 -10.038 -8.118 581 HB ILE 74 HB ILE 74 -2.117 -12.655 -9.642 582 HG12 ILE 74 HG12 ILE 74 -2.562 -11.419 -11.670 583 HG13 ILE 74 HG13 ILE 74 -2.730 -9.909 -10.808 584 HG21 ILE 74 HG21 ILE 74 -4.403 -12.236 -10.553 585 HG22 ILE 74 HG22 ILE 74 -4.390 -12.579 -8.828 586 HG23 ILE 74 HG23 ILE 74 -4.597 -10.901 -9.391 587 HD11 ILE 74 HD11 ILE 74 -0.155 -11.515 -10.849 588 HD12 ILE 74 HD12 ILE 74 -0.559 -10.295 -12.081 589 HD13 ILE 74 HD13 ILE 74 -0.355 -9.799 -10.400 590 H VAL 75 H VAL 75 -4.169 -10.521 -6.655 591 HA VAL 75 HA VAL 75 -4.131 -13.164 -5.434 592 HB VAL 75 HB VAL 75 -4.652 -12.225 -3.187 593 HG11 VAL 75 HG11 VAL 75 -2.351 -11.785 -2.544 594 HG12 VAL 75 HG12 VAL 75 -2.418 -13.065 -3.773 595 HG13 VAL 75 HG13 VAL 75 -1.893 -11.432 -4.224 596 HG21 VAL 75 HG21 VAL 75 -3.875 -10.008 -2.618 597 HG22 VAL 75 HG22 VAL 75 -3.493 -9.667 -4.324 598 HG23 VAL 75 HG23 VAL 75 -5.195 -9.915 -3.822 599 H THR 76 H THR 76 -6.145 -14.026 -5.038 600 HA THR 76 HA THR 76 -8.320 -12.550 -6.443 601 HB THR 76 HB THR 76 -8.695 -14.383 -7.840 602 HG1 THR 76 HG1 THR 76 -7.914 -16.384 -7.650 603 HG21 THR 76 HG21 THR 76 -5.638 -14.491 -7.590 604 HG22 THR 76 HG22 THR 76 -6.611 -14.851 -9.023 605 HG23 THR 76 HG23 THR 76 -6.525 -13.187 -8.439 606 H LYS 77 H LYS 77 -10.470 -13.883 -6.270 607 HA LYS 77 HA LYS 77 -10.730 -15.302 -3.682 608 HB2 LYS 77 HB2 LYS 77 -12.641 -13.186 -4.712 609 HB3 LYS 77 HB3 LYS 77 -12.891 -14.231 -3.296 610 HG2 LYS 77 HG2 LYS 77 -10.596 -13.342 -2.452 611 HG3 LYS 77 HG3 LYS 77 -10.778 -12.110 -3.698 612 HD2 LYS 77 HD2 LYS 77 -13.114 -11.649 -2.601 613 HD3 LYS 77 HD3 LYS 77 -12.536 -12.802 -1.374 614 HE2 LYS 77 HE2 LYS 77 -10.517 -11.214 -1.052 615 HE3 LYS 77 HE3 LYS 77 -11.341 -10.056 -2.069 616 HZ1 LYS 77 HZ1 LYS 77 -11.790 -9.597 0.269 617 HZ2 LYS 77 HZ2 LYS 77 -13.189 -10.059 -0.444 618 HZ3 LYS 77 HZ3 LYS 77 -12.373 -11.106 0.523 619 H ALA 78 H ALA 78 -13.076 -16.230 -3.717 620 HA ALA 78 HA ALA 78 -12.954 -18.319 -5.723 621 HB1 ALA 78 HB1 ALA 78 -14.983 -17.821 -3.495 622 HB2 ALA 78 HB2 ALA 78 -14.750 -19.336 -4.385 623 HB3 ALA 78 HB3 ALA 78 -13.463 -18.742 -3.328 624 H GLN 79 H GLN 79 -14.036 -15.362 -6.380 625 HA GLN 79 HA GLN 79 -16.775 -15.625 -7.170 626 HB2 GLN 79 HB2 GLN 79 -14.502 -13.808 -8.103 627 HB3 GLN 79 HB3 GLN 79 -16.173 -13.637 -8.649 628 HG2 GLN 79 HG2 GLN 79 -15.404 -13.527 -5.694 629 HG3 GLN 79 HG3 GLN 79 -15.418 -12.119 -6.745 630 HE21 GLN 79 HE21 GLN 79 -17.417 -11.361 -7.651 631 HE22 GLN 79 HE22 GLN 79 -18.975 -11.826 -6.950 632 H LEU 80 H LEU 80 -17.687 -16.153 -9.147 633 HA LEU 80 HA LEU 80 -16.241 -17.879 -10.971 634 HB2 LEU 80 HB2 LEU 80 -18.706 -18.040 -10.470 635 HB3 LEU 80 HB3 LEU 80 -18.941 -16.470 -11.237 636 HG LEU 80 HG LEU 80 -18.182 -17.425 -13.411 637 HD11 LEU 80 HD11 LEU 80 -16.731 -19.276 -12.654 638 HD12 LEU 80 HD12 LEU 80 -18.129 -20.082 -11.907 639 HD13 LEU 80 HD13 LEU 80 -18.031 -19.888 -13.672 640 HD21 LEU 80 HD21 LEU 80 -20.573 -17.358 -12.815 641 HD22 LEU 80 HD22 LEU 80 -20.196 -18.750 -13.837 642 HD23 LEU 80 HD23 LEU 80 -20.440 -18.972 -12.089 643 H SER 81 H SER 81 -15.582 -17.326 -13.151 644 HA SER 81 HA SER 81 -14.336 -14.842 -13.438 645 HB2 SER 81 HB2 SER 81 -14.267 -15.769 -15.951 646 HB3 SER 81 HB3 SER 81 -13.305 -16.455 -14.638 647 HG SER 81 HG SER 81 -14.417 -18.091 -15.832 648 H LYS 82 H LYS 82 -17.705 -15.502 -14.088 649 HA LYS 82 HA LYS 82 -18.218 -13.488 -16.035 650 HB2 LYS 82 HB2 LYS 82 -19.930 -14.300 -13.641 651 HB3 LYS 82 HB3 LYS 82 -20.479 -13.360 -15.022 652 HG2 LYS 82 HG2 LYS 82 -19.549 -16.261 -15.098 653 HG3 LYS 82 HG3 LYS 82 -21.208 -15.682 -15.180 654 HD2 LYS 82 HD2 LYS 82 -20.676 -14.512 -17.332 655 HD3 LYS 82 HD3 LYS 82 -19.029 -15.199 -17.259 656 HE2 LYS 82 HE2 LYS 82 -19.982 -17.489 -17.234 657 HE3 LYS 82 HE3 LYS 82 -21.618 -16.815 -17.316 658 HZ1 LYS 82 HZ1 LYS 82 -20.829 -17.509 -19.490 659 HZ2 LYS 82 HZ2 LYS 82 -21.070 -15.900 -19.496 660 HZ3 LYS 82 HZ3 LYS 82 -19.546 -16.501 -19.427 661 H ASP 83 H ASP 83 -17.440 -13.216 -12.579 662 HA ASP 83 HA ASP 83 -18.126 -10.437 -12.310 663 HB2 ASP 83 HB2 ASP 83 -17.936 -12.193 -10.493 664 HB3 ASP 83 HB3 ASP 83 -16.183 -12.119 -10.687 665 H LEU 84 H LEU 84 -15.955 -11.528 -14.406 666 HA LEU 84 HA LEU 84 -14.062 -9.262 -14.136 667 HB2 LEU 84 HB2 LEU 84 -13.398 -12.206 -14.639 668 HB3 LEU 84 HB3 LEU 84 -12.311 -10.900 -15.038 669 HG LEU 84 HG LEU 84 -13.323 -11.430 -12.209 670 HD11 LEU 84 HD11 LEU 84 -10.685 -12.261 -13.498 671 HD12 LEU 84 HD12 LEU 84 -11.134 -12.461 -11.791 672 HD13 LEU 84 HD13 LEU 84 -12.006 -13.353 -13.045 673 HD21 LEU 84 HD21 LEU 84 -12.522 -9.119 -12.578 674 HD22 LEU 84 HD22 LEU 84 -11.380 -10.009 -11.572 675 HD23 LEU 84 HD23 LEU 84 -11.018 -9.739 -13.295 676 H ASP 85 H ASP 85 -15.494 -11.889 -16.143 677 HA ASP 85 HA ASP 85 -14.802 -10.804 -18.681 678 HB2 ASP 85 HB2 ASP 85 -15.511 -13.121 -18.363 679 HB3 ASP 85 HB3 ASP 85 -17.104 -12.592 -17.814 680 H LYS 86 H LYS 86 -17.689 -10.241 -16.558 681 HA LYS 86 HA LYS 86 -19.137 -8.715 -18.512 682 HB2 LYS 86 HB2 LYS 86 -19.307 -8.795 -15.487 683 HB3 LYS 86 HB3 LYS 86 -20.354 -7.806 -16.500 684 HG2 LYS 86 HG2 LYS 86 -20.145 -10.849 -16.614 685 HG3 LYS 86 HG3 LYS 86 -21.425 -9.874 -15.898 686 HD2 LYS 86 HD2 LYS 86 -21.896 -8.906 -18.185 687 HD3 LYS 86 HD3 LYS 86 -20.760 -10.113 -18.849 688 HE2 LYS 86 HE2 LYS 86 -22.115 -11.937 -17.879 689 HE3 LYS 86 HE3 LYS 86 -23.208 -10.753 -17.152 690 HZ1 LYS 86 HZ1 LYS 86 -24.110 -11.639 -19.217 691 HZ2 LYS 86 HZ2 LYS 86 -23.837 -10.044 -19.400 692 HZ3 LYS 86 HZ3 LYS 86 -22.817 -11.141 -20.076 693 H LEU 87 H LEU 87 -19.223 -6.528 -18.913 694 HA LEU 87 HA LEU 87 -16.908 -4.897 -18.290 695 HB2 LEU 87 HB2 LEU 87 -19.561 -4.491 -19.739 696 HB3 LEU 87 HB3 LEU 87 -18.577 -3.129 -19.334 697 HG LEU 87 HG LEU 87 -18.245 -3.739 -21.616 698 HD11 LEU 87 HD11 LEU 87 -16.363 -2.761 -20.319 699 HD12 LEU 87 HD12 LEU 87 -15.716 -4.400 -20.055 700 HD13 LEU 87 HD13 LEU 87 -15.832 -3.742 -21.698 701 HD21 LEU 87 HD21 LEU 87 -18.684 -6.168 -21.446 702 HD22 LEU 87 HD22 LEU 87 -17.212 -5.802 -22.350 703 HD23 LEU 87 HD23 LEU 87 -17.095 -6.398 -20.686 704 H VAL 88 H VAL 88 -17.230 -2.688 -17.332 705 HA VAL 88 HA VAL 88 -19.290 -2.505 -15.222 706 HB VAL 88 HB VAL 88 -17.632 -1.801 -13.570 707 HG11 VAL 88 HG11 VAL 88 -16.693 -3.948 -12.986 708 HG12 VAL 88 HG12 VAL 88 -18.320 -4.181 -13.636 709 HG13 VAL 88 HG13 VAL 88 -16.901 -4.551 -14.641 710 HG21 VAL 88 HG21 VAL 88 -15.865 -0.961 -15.038 711 HG22 VAL 88 HG22 VAL 88 -15.235 -2.135 -13.876 712 HG23 VAL 88 HG23 VAL 88 -15.487 -2.622 -15.569 713 HA PRO 89 HA PRO 89 -19.729 1.662 -16.549 714 HB2 PRO 89 HB2 PRO 89 -19.215 2.543 -13.708 715 HB3 PRO 89 HB3 PRO 89 -20.553 3.001 -14.811 716 HG2 PRO 89 HG2 PRO 89 -20.938 1.188 -12.842 717 HG3 PRO 89 HG3 PRO 89 -21.673 0.961 -14.462 718 HD2 PRO 89 HD2 PRO 89 -19.243 -0.379 -13.304 719 HD3 PRO 89 HD3 PRO 89 -20.506 -1.033 -14.366 720 H ARG 90 H ARG 90 -18.642 3.662 -16.928 721 HA ARG 90 HA ARG 90 -15.739 3.575 -17.011 722 HB2 ARG 90 HB2 ARG 90 -17.703 5.850 -17.540 723 HB3 ARG 90 HB3 ARG 90 -15.947 5.946 -17.730 724 HG2 ARG 90 HG2 ARG 90 -16.065 4.030 -19.374 725 HG3 ARG 90 HG3 ARG 90 -17.836 4.118 -19.286 726 HD2 ARG 90 HD2 ARG 90 -17.742 6.486 -20.034 727 HD3 ARG 90 HD3 ARG 90 -15.969 6.373 -20.107 728 HE ARG 90 HE ARG 90 -17.033 4.285 -21.681 729 HH11 ARG 90 HH11 ARG 90 -16.907 7.840 -21.791 730 HH12 ARG 90 HH12 ARG 90 -16.982 7.925 -23.517 731 HH21 ARG 90 HH21 ARG 90 -17.146 4.410 -23.976 732 HH22 ARG 90 HH22 ARG 90 -17.127 5.940 -24.775 Start of MODEL 8 1 H1 MET 1 H1 MET 1 5.354 1.383 -3.065 2 H2 MET 1 H2 MET 1 6.840 0.722 -3.400 3 H3 MET 1 H3 MET 1 6.155 1.797 -4.431 4 HA MET 1 HA MET 1 6.059 -0.445 -5.254 5 HB2 MET 1 HB2 MET 1 4.872 -2.177 -4.258 6 HB3 MET 1 HB3 MET 1 5.802 -1.495 -2.958 7 HG2 MET 1 HG2 MET 1 3.727 -0.254 -2.204 8 HG3 MET 1 HG3 MET 1 2.812 -1.154 -3.406 9 HE1 MET 1 HE1 MET 1 3.088 -4.815 -2.129 10 HE2 MET 1 HE2 MET 1 2.056 -3.713 -3.055 11 HE3 MET 1 HE3 MET 1 3.761 -3.913 -3.503 12 H GLU 2 H GLU 2 3.627 -1.484 -5.973 13 HA GLU 2 HA GLU 2 2.103 0.876 -6.990 14 HB2 GLU 2 HB2 GLU 2 3.914 -1.085 -8.306 15 HB3 GLU 2 HB3 GLU 2 2.347 -1.117 -9.029 16 HG2 GLU 2 HG2 GLU 2 2.419 1.365 -9.337 17 HG3 GLU 2 HG3 GLU 2 4.021 1.400 -8.596 18 H ILE 3 H ILE 3 -0.121 0.528 -6.766 19 HA ILE 3 HA ILE 3 -1.087 -2.203 -6.032 20 HB ILE 3 HB ILE 3 -2.019 0.455 -4.929 21 HG12 ILE 3 HG12 ILE 3 0.156 0.032 -3.963 22 HG13 ILE 3 HG13 ILE 3 -1.124 -0.232 -2.797 23 HG21 ILE 3 HG21 ILE 3 -3.235 -1.011 -3.255 24 HG22 ILE 3 HG22 ILE 3 -3.871 -1.078 -4.891 25 HG23 ILE 3 HG23 ILE 3 -2.860 -2.408 -4.290 26 HD11 ILE 3 HD11 ILE 3 0.452 -2.386 -4.191 27 HD12 ILE 3 HD12 ILE 3 0.571 -1.902 -2.491 28 HD13 ILE 3 HD13 ILE 3 -0.898 -2.696 -3.072 29 H GLU 4 H GLU 4 -3.199 -2.722 -6.951 30 HA GLU 4 HA GLU 4 -4.660 -0.599 -8.404 31 HB2 GLU 4 HB2 GLU 4 -3.161 -1.823 -9.998 32 HB3 GLU 4 HB3 GLU 4 -3.891 -3.321 -9.460 33 HG2 GLU 4 HG2 GLU 4 -4.790 -2.631 -11.533 34 HG3 GLU 4 HG3 GLU 4 -6.068 -2.618 -10.346 35 H ARG 5 H ARG 5 -6.867 -1.070 -8.660 36 HA ARG 5 HA ARG 5 -8.053 -3.223 -6.940 37 HB2 ARG 5 HB2 ARG 5 -8.521 -1.144 -5.907 38 HB3 ARG 5 HB3 ARG 5 -8.868 -0.354 -7.437 39 HG2 ARG 5 HG2 ARG 5 -10.879 -0.761 -6.116 40 HG3 ARG 5 HG3 ARG 5 -10.960 -1.528 -7.688 41 HD2 ARG 5 HD2 ARG 5 -11.923 -2.998 -6.092 42 HD3 ARG 5 HD3 ARG 5 -10.391 -3.726 -6.585 43 HE ARG 5 HE ARG 5 -10.071 -2.073 -4.227 44 HH11 ARG 5 HH11 ARG 5 -11.472 -5.247 -5.165 45 HH12 ARG 5 HH12 ARG 5 -11.343 -5.861 -3.533 46 HH21 ARG 5 HH21 ARG 5 -9.909 -2.908 -2.243 47 HH22 ARG 5 HH22 ARG 5 -10.405 -4.572 -1.857 48 H ILE 6 H ILE 6 -8.392 -4.831 -8.518 49 HA ILE 6 HA ILE 6 -8.954 -4.191 -11.264 50 HB ILE 6 HB ILE 6 -9.353 -6.787 -9.739 51 HG12 ILE 6 HG12 ILE 6 -7.076 -6.120 -9.378 52 HG13 ILE 6 HG13 ILE 6 -7.145 -7.411 -10.539 53 HG21 ILE 6 HG21 ILE 6 -9.001 -7.884 -11.933 54 HG22 ILE 6 HG22 ILE 6 -10.469 -6.905 -11.888 55 HG23 ILE 6 HG23 ILE 6 -9.032 -6.287 -12.721 56 HD11 ILE 6 HD11 ILE 6 -5.490 -5.698 -11.205 57 HD12 ILE 6 HD12 ILE 6 -6.792 -5.800 -12.401 58 HD13 ILE 6 HD13 ILE 6 -6.763 -4.476 -11.217 59 H ASN 7 H ASN 7 -10.879 -5.597 -8.612 60 HA ASN 7 HA ASN 7 -13.341 -4.254 -9.396 61 HB2 ASN 7 HB2 ASN 7 -14.649 -6.109 -10.063 62 HB3 ASN 7 HB3 ASN 7 -13.195 -6.201 -11.022 63 HD21 ASN 7 HD22 ASN 7 -14.584 -8.467 -11.047 64 HD22 ASN 7 HD21 ASN 7 -13.901 -9.671 -9.983 65 H GLU 8 H GLU 8 -15.191 -5.718 -7.985 66 HA GLU 8 HA GLU 8 -14.801 -4.881 -5.388 67 HB2 GLU 8 HB2 GLU 8 -16.919 -5.557 -6.749 68 HB3 GLU 8 HB3 GLU 8 -16.623 -7.198 -6.181 69 HG2 GLU 8 HG2 GLU 8 -18.296 -6.084 -4.805 70 HG3 GLU 8 HG3 GLU 8 -16.879 -6.404 -3.826 71 H HIS 9 H HIS 9 -13.351 -7.723 -6.720 72 HA HIS 9 HA HIS 9 -13.028 -8.979 -4.005 73 HB2 HIS 9 HB2 HIS 9 -13.347 -10.295 -6.732 74 HB3 HIS 9 HB3 HIS 9 -13.037 -11.132 -5.227 75 HD1 HIS 9 HD1 HIS 9 -15.737 -11.171 -7.257 76 HD2 HIS 9 HD2 HIS 9 -15.275 -9.661 -3.345 77 HE1 HIS 9 HE1 HIS 9 -18.050 -11.117 -6.222 78 H THR 10 H THR 10 -11.576 -8.479 -7.257 79 HA THR 10 HA THR 10 -9.043 -9.556 -6.251 80 HB THR 10 HB THR 10 -9.964 -8.769 -9.041 81 HG1 THR 10 HG1 THR 10 -10.444 -10.923 -9.220 82 HG21 THR 10 HG21 THR 10 -8.066 -10.048 -9.880 83 HG22 THR 10 HG22 THR 10 -7.471 -8.755 -8.829 84 HG23 THR 10 HG23 THR 10 -7.536 -10.405 -8.222 85 H VAL 11 H VAL 11 -7.217 -8.463 -6.059 86 HA VAL 11 HA VAL 11 -7.013 -5.653 -6.975 87 HB VAL 11 HB VAL 11 -5.562 -5.163 -5.012 88 HG11 VAL 11 HG11 VAL 11 -7.932 -4.453 -5.045 89 HG12 VAL 11 HG12 VAL 11 -8.395 -5.959 -4.220 90 HG13 VAL 11 HG13 VAL 11 -7.352 -4.771 -3.408 91 HG21 VAL 11 HG21 VAL 11 -5.677 -6.521 -2.972 92 HG22 VAL 11 HG22 VAL 11 -6.649 -7.750 -3.802 93 HG23 VAL 11 HG23 VAL 11 -4.967 -7.448 -4.290 94 H LYS 12 H LYS 12 -4.677 -5.193 -7.494 95 HA LYS 12 HA LYS 12 -2.964 -7.544 -7.255 96 HB2 LYS 12 HB2 LYS 12 -2.116 -7.671 -9.372 97 HB3 LYS 12 HB3 LYS 12 -3.852 -7.549 -9.645 98 HG2 LYS 12 HG2 LYS 12 -3.600 -5.229 -10.291 99 HG3 LYS 12 HG3 LYS 12 -1.849 -5.305 -10.014 100 HD2 LYS 12 HD2 LYS 12 -1.657 -7.119 -11.694 101 HD3 LYS 12 HD3 LYS 12 -3.410 -7.031 -12.020 102 HE2 LYS 12 HE2 LYS 12 -3.220 -4.775 -12.859 103 HE3 LYS 12 HE3 LYS 12 -1.591 -4.639 -12.176 104 HZ1 LYS 12 HZ1 LYS 12 -1.535 -4.978 -14.586 105 HZ2 LYS 12 HZ2 LYS 12 -0.773 -6.198 -13.806 106 HZ3 LYS 12 HZ3 LYS 12 -2.284 -6.426 -14.448 107 H PHE 13 H PHE 13 -0.633 -6.894 -7.541 108 HA PHE 13 HA PHE 13 -0.131 -4.028 -7.267 109 HB2 PHE 13 HB2 PHE 13 1.215 -4.293 -5.233 110 HB3 PHE 13 HB3 PHE 13 -0.460 -4.695 -4.939 111 HD1 PHE 13 HD1 PHE 13 -1.206 -7.006 -4.658 112 HD2 PHE 13 HD2 PHE 13 2.940 -5.870 -4.787 113 HE1 PHE 13 HE1 PHE 13 -0.600 -9.016 -3.291 114 HE2 PHE 13 HE2 PHE 13 3.538 -7.823 -3.387 115 HZ PHE 13 HZ PHE 13 1.725 -9.368 -2.586 116 H TYR 14 H TYR 14 2.286 -3.658 -7.270 117 HA TYR 14 HA TYR 14 3.844 -5.876 -8.422 118 HB2 TYR 14 HB2 TYR 14 3.275 -4.654 -10.377 119 HB3 TYR 14 HB3 TYR 14 3.490 -3.113 -9.591 120 HD1 TYR 14 HD1 TYR 14 5.261 -6.108 -10.870 121 HD2 TYR 14 HD2 TYR 14 5.619 -2.139 -9.291 122 HE1 TYR 14 HE1 TYR 14 7.655 -6.160 -11.441 123 HE2 TYR 14 HE2 TYR 14 8.093 -2.172 -9.781 124 HH TYR 14 HH TYR 14 9.858 -3.371 -10.751 125 H MET 15 H MET 15 5.855 -5.946 -7.603 126 HA MET 15 HA MET 15 6.586 -4.002 -5.448 127 HB2 MET 15 HB2 MET 15 5.404 -6.168 -4.683 128 HB3 MET 15 HB3 MET 15 6.818 -7.023 -5.302 129 HG2 MET 15 HG2 MET 15 7.314 -6.697 -3.093 130 HG3 MET 15 HG3 MET 15 8.165 -5.353 -3.838 131 HE1 MET 15 HE1 MET 15 6.513 -6.450 -0.971 132 HE2 MET 15 HE2 MET 15 7.762 -5.209 -0.729 133 HE3 MET 15 HE3 MET 15 6.083 -4.937 -0.150 134 H SER 16 H SER 16 8.567 -3.191 -6.107 135 HA SER 16 HA SER 16 10.300 -4.687 -7.904 136 HB2 SER 16 HB2 SER 16 11.030 -2.262 -6.278 137 HB3 SER 16 HB3 SER 16 11.715 -2.791 -7.827 138 HG SER 16 HG SER 16 10.230 -1.028 -8.058 139 H TYR 17 H TYR 17 12.393 -5.547 -7.303 140 HA TYR 17 HA TYR 17 12.604 -6.954 -4.897 141 HB2 TYR 17 HB2 TYR 17 14.861 -5.855 -6.598 142 HB3 TYR 17 HB3 TYR 17 15.021 -7.117 -5.384 143 HD1 TYR 17 HD2 TYR 17 12.245 -8.524 -6.235 144 HD2 TYR 17 HD1 TYR 17 15.790 -7.216 -8.341 145 HE1 TYR 17 HE2 TYR 17 11.911 -10.289 -7.873 146 HE2 TYR 17 HE1 TYR 17 15.425 -8.957 -10.038 147 HH TYR 17 HH TYR 17 12.735 -11.355 -9.833 148 H GLY 18 H GLY 18 13.601 -3.558 -5.475 149 HA2 GLY 18 HA2 GLY 18 14.831 -3.525 -2.836 150 HA3 GLY 18 HA3 GLY 18 14.788 -2.203 -3.943 151 H ASP 19 H ASP 19 11.557 -3.149 -3.863 152 HA ASP 19 HA ASP 19 10.774 -1.376 -1.636 153 HB2 ASP 19 HB2 ASP 19 9.345 -2.830 -3.764 154 HB3 ASP 19 HB3 ASP 19 8.723 -3.282 -2.210 155 H ILE 20 H ILE 20 10.999 -4.818 -2.396 156 HA ILE 20 HA ILE 20 10.317 -5.920 0.121 157 HB ILE 20 HB ILE 20 11.905 -6.797 -2.314 158 HG12 ILE 20 HG12 ILE 20 9.290 -7.888 -1.242 159 HG13 ILE 20 HG13 ILE 20 9.404 -6.448 -2.249 160 HG21 ILE 20 HG21 ILE 20 11.280 -8.662 -0.026 161 HG22 ILE 20 HG22 ILE 20 12.090 -9.040 -1.551 162 HG23 ILE 20 HG23 ILE 20 12.899 -7.983 -0.385 163 HD11 ILE 20 HD11 ILE 20 10.348 -9.206 -3.102 164 HD12 ILE 20 HD12 ILE 20 8.867 -8.378 -3.625 165 HD13 ILE 20 HD13 ILE 20 10.441 -7.710 -4.075 166 H GLU 21 H GLU 21 13.547 -4.949 -1.235 167 HA GLU 21 HA GLU 21 14.940 -5.739 1.090 168 HB2 GLU 21 HB2 GLU 21 16.764 -5.213 -0.034 169 HB3 GLU 21 HB3 GLU 21 15.709 -5.170 -1.421 170 HG2 GLU 21 HG2 GLU 21 15.559 -2.699 -1.040 171 HG3 GLU 21 HG3 GLU 21 16.652 -2.871 0.293 172 H ASP 22 H ASP 22 13.469 -2.646 0.233 173 HA ASP 22 HA ASP 22 14.577 -1.082 2.345 174 HB2 ASP 22 HB2 ASP 22 13.312 -0.158 0.409 175 HB3 ASP 22 HB3 ASP 22 11.832 -0.826 1.065 176 H ARG 23 H ARG 23 11.670 -3.044 2.067 177 HA ARG 23 HA ARG 23 10.721 -2.663 4.790 178 HB2 ARG 23 HB2 ARG 23 10.072 -4.667 2.610 179 HB3 ARG 23 HB3 ARG 23 9.177 -4.541 4.140 180 HG2 ARG 23 HG2 ARG 23 8.319 -2.395 3.612 181 HG3 ARG 23 HG3 ARG 23 9.505 -2.138 2.328 182 HD2 ARG 23 HD2 ARG 23 8.482 -4.080 1.088 183 HD3 ARG 23 HD3 ARG 23 7.151 -4.033 2.237 184 HE ARG 23 HE ARG 23 7.843 -2.133 0.070 185 HH11 ARG 23 HH11 ARG 23 5.714 -2.494 2.930 186 HH12 ARG 23 HH12 ARG 23 4.974 -0.944 2.670 187 HH21 ARG 23 HH21 ARG 23 6.822 -0.318 -0.311 188 HH22 ARG 23 HH22 ARG 23 5.534 0.317 0.711 189 H GLY 24 H GLY 24 13.442 -4.240 3.657 190 HA2 GLY 24 HA2 GLY 24 15.032 -5.277 4.909 191 HA3 GLY 24 HA3 GLY 24 13.895 -5.390 6.256 192 H PHE 25 H PHE 25 12.552 -6.608 3.384 193 HA PHE 25 HA PHE 25 13.052 -9.454 4.101 194 HB2 PHE 25 HB2 PHE 25 11.221 -8.160 2.052 195 HB3 PHE 25 HB3 PHE 25 11.344 -9.893 2.373 196 HD1 PHE 25 HD2 PHE 25 10.125 -6.638 3.627 197 HD2 PHE 25 HD1 PHE 25 10.209 -10.908 4.340 198 HE1 PHE 25 HE2 PHE 25 8.518 -6.371 5.486 199 HE2 PHE 25 HE1 PHE 25 8.640 -10.622 6.182 200 HZ PHE 25 HZ PHE 25 7.783 -8.361 6.793 201 H ASP 26 H ASP 26 13.190 -10.637 1.589 202 HA ASP 26 HA ASP 26 15.073 -9.178 -0.129 203 HB2 ASP 26 HB2 ASP 26 16.330 -10.715 1.694 204 HB3 ASP 26 HB3 ASP 26 15.806 -11.998 0.620 205 H ARG 27 H ARG 27 15.024 -10.231 -2.340 206 HA ARG 27 HA ARG 27 12.418 -11.235 -2.890 207 HB2 ARG 27 HB2 ARG 27 13.128 -11.545 -5.163 208 HB3 ARG 27 HB3 ARG 27 13.806 -10.036 -4.555 209 HG2 ARG 27 HG2 ARG 27 16.015 -11.121 -4.273 210 HG3 ARG 27 HG3 ARG 27 15.341 -12.665 -4.842 211 HD2 ARG 27 HD2 ARG 27 14.793 -11.644 -7.011 212 HD3 ARG 27 HD3 ARG 27 15.485 -10.102 -6.475 213 HE ARG 27 HE ARG 27 17.580 -11.675 -6.045 214 HH11 ARG 27 HH11 ARG 27 15.502 -11.544 -8.950 215 HH12 ARG 27 HH12 ARG 27 16.736 -12.115 -10.010 216 HH21 ARG 27 HH22 ARG 27 19.196 -12.440 -7.466 217 HH22 ARG 27 HH21 ARG 27 18.881 -12.614 -9.151 218 H GLU 28 H GLU 28 15.425 -12.978 -2.170 219 HA GLU 28 HA GLU 28 14.271 -15.624 -2.715 220 HB2 GLU 28 HB2 GLU 28 16.746 -14.602 -1.277 221 HB3 GLU 28 HB3 GLU 28 16.332 -16.296 -1.329 222 HG2 GLU 28 HG2 GLU 28 16.273 -16.134 -3.860 223 HG3 GLU 28 HG3 GLU 28 16.888 -14.499 -3.708 224 H GLU 29 H GLU 29 14.930 -13.586 0.162 225 HA GLU 29 HA GLU 29 14.240 -15.554 2.040 226 HB2 GLU 29 HB2 GLU 29 14.292 -12.520 2.171 227 HB3 GLU 29 HB3 GLU 29 14.056 -13.451 3.606 228 HG2 GLU 29 HG2 GLU 29 16.488 -13.987 1.884 229 HG3 GLU 29 HG3 GLU 29 16.386 -12.622 2.972 230 H ILE 30 H ILE 30 12.254 -13.165 0.483 231 HA ILE 30 HA ILE 30 9.796 -13.445 1.879 232 HB ILE 30 HB ILE 30 10.432 -13.116 -1.070 233 HG12 ILE 30 HG12 ILE 30 10.878 -11.298 0.745 234 HG13 ILE 30 HG13 ILE 30 10.199 -10.899 -0.806 235 HG21 ILE 30 HG21 ILE 30 8.243 -14.142 -1.116 236 HG22 ILE 30 HG22 ILE 30 7.636 -13.052 0.135 237 HG23 ILE 30 HG23 ILE 30 8.084 -12.428 -1.474 238 HD11 ILE 30 HD11 ILE 30 8.569 -11.239 1.767 239 HD12 ILE 30 HD12 ILE 30 9.123 -9.680 1.113 240 HD13 ILE 30 HD13 ILE 30 7.951 -10.634 0.208 241 H TRP 31 H TRP 31 11.084 -15.516 -0.811 242 HA TRP 31 HA TRP 31 8.746 -17.245 -0.606 243 HB2 TRP 31 HB2 TRP 31 11.310 -17.565 -2.172 244 HB3 TRP 31 HB3 TRP 31 9.860 -18.527 -2.404 245 HD1 TRP 31 HD1 TRP 31 11.557 -16.019 -4.100 246 HE1 TRP 31 HE1 TRP 31 10.139 -14.236 -5.272 247 HE3 TRP 31 HE3 TRP 31 6.980 -17.153 -2.071 248 HZ2 TRP 31 HZ2 TRP 31 7.461 -13.136 -4.948 249 HZ3 TRP 31 HZ3 TRP 31 4.997 -15.782 -2.621 250 HH2 TRP 31 HH2 TRP 31 5.224 -13.739 -4.037 251 H TYR 32 H TYR 32 12.105 -17.355 0.484 252 HA TYR 32 HA TYR 32 11.976 -20.192 1.044 253 HB2 TYR 32 HB2 TYR 32 14.168 -18.152 1.530 254 HB3 TYR 32 HB3 TYR 32 14.363 -19.896 1.567 255 HD1 TYR 32 HD2 TYR 32 12.281 -19.786 -1.176 256 HD2 TYR 32 HD1 TYR 32 16.207 -18.416 0.008 257 HE1 TYR 32 HE2 TYR 32 12.929 -19.607 -3.527 258 HE2 TYR 32 HE1 TYR 32 16.915 -18.457 -2.320 259 HH TYR 32 HH TYR 32 16.285 -18.772 -4.559 260 H ASN 33 H ASN 33 10.684 -17.753 2.841 261 HA ASN 33 HA ASN 33 10.966 -19.217 5.407 262 HB2 ASN 33 HB2 ASN 33 11.117 -16.228 4.883 263 HB3 ASN 33 HB3 ASN 33 10.943 -16.931 6.457 264 HD21 ASN 33 HD22 ASN 33 13.039 -16.073 3.929 265 HD22 ASN 33 HD21 ASN 33 14.581 -16.517 4.646 266 H ARG 34 H ARG 34 8.873 -20.142 4.938 267 HA ARG 34 HA ARG 34 6.854 -19.000 3.465 268 HB2 ARG 34 HB2 ARG 34 6.975 -21.338 4.068 269 HB3 ARG 34 HB3 ARG 34 6.549 -20.970 5.753 270 HG2 ARG 34 HG2 ARG 34 4.334 -20.298 5.167 271 HG3 ARG 34 HG3 ARG 34 4.754 -20.090 3.469 272 HD2 ARG 34 HD2 ARG 34 3.460 -22.074 3.621 273 HD3 ARG 34 HD3 ARG 34 5.104 -22.559 3.266 274 HE ARG 34 HE ARG 34 5.324 -23.568 5.331 275 HH11 ARG 34 HH11 ARG 34 2.222 -21.819 5.275 276 HH12 ARG 34 HH12 ARG 34 1.637 -22.537 6.734 277 HH21 ARG 34 HH21 ARG 34 4.539 -24.531 7.252 278 HH22 ARG 34 HH22 ARG 34 2.980 -24.125 7.874 279 H GLU 35 H GLU 35 7.344 -18.455 6.983 280 HA GLU 35 HA GLU 35 4.730 -17.176 7.180 281 HB2 GLU 35 HB2 GLU 35 5.321 -16.713 9.478 282 HB3 GLU 35 HB3 GLU 35 5.585 -18.406 9.113 283 HG2 GLU 35 HG2 GLU 35 7.824 -16.329 9.211 284 HG3 GLU 35 HG3 GLU 35 7.289 -17.250 10.598 285 H ARG 36 H ARG 36 8.020 -16.188 6.452 286 HA ARG 36 HA ARG 36 7.476 -13.343 6.956 287 HB2 ARG 36 HB2 ARG 36 9.867 -14.769 5.787 288 HB3 ARG 36 HB3 ARG 36 9.737 -13.065 6.037 289 HG2 ARG 36 HG2 ARG 36 9.916 -15.240 8.130 290 HG3 ARG 36 HG3 ARG 36 10.965 -13.841 7.875 291 HD2 ARG 36 HD2 ARG 36 9.111 -12.338 8.637 292 HD3 ARG 36 HD3 ARG 36 8.123 -13.780 8.975 293 HE ARG 36 HE ARG 36 10.696 -13.867 10.281 294 HH11 ARG 36 HH12 ARG 36 7.363 -12.538 10.576 295 HH12 ARG 36 HH11 ARG 36 7.452 -12.422 12.296 296 HH21 ARG 36 HH21 ARG 36 10.762 -13.694 12.571 297 HH22 ARG 36 HH22 ARG 36 9.409 -13.085 13.450 298 H SER 37 H SER 37 7.071 -15.658 4.352 299 HA SER 37 HA SER 37 6.973 -13.719 2.244 300 HB2 SER 37 HB2 SER 37 4.901 -15.853 2.150 301 HB3 SER 37 HB3 SER 37 6.056 -15.340 0.930 302 HG SER 37 HG SER 37 7.665 -16.470 2.068 303 H GLU 38 H GLU 38 4.506 -15.013 4.518 304 HA GLU 38 HA GLU 38 2.272 -13.873 3.489 305 HB2 GLU 38 HB2 GLU 38 2.803 -15.616 5.434 306 HB3 GLU 38 HB3 GLU 38 2.535 -14.203 6.468 307 HG2 GLU 38 HG2 GLU 38 0.345 -13.866 5.335 308 HG3 GLU 38 HG3 GLU 38 0.628 -15.287 4.341 309 H GLU 39 H GLU 39 4.634 -12.239 5.581 310 HA GLU 39 HA GLU 39 3.076 -10.167 6.591 311 HB2 GLU 39 HB2 GLU 39 5.926 -9.737 5.692 312 HB3 GLU 39 HB3 GLU 39 5.159 -9.170 7.158 313 HG2 GLU 39 HG2 GLU 39 6.039 -12.002 6.606 314 HG3 GLU 39 HG3 GLU 39 6.934 -10.810 7.461 315 H LEU 40 H LEU 40 4.692 -10.481 3.467 316 HA LEU 40 HA LEU 40 4.349 -7.796 2.540 317 HB2 LEU 40 HB2 LEU 40 5.942 -9.088 1.487 318 HB3 LEU 40 HB3 LEU 40 4.879 -10.448 1.249 319 HG LEU 40 HG LEU 40 5.657 -8.921 -0.745 320 HD11 LEU 40 HD11 LEU 40 3.877 -9.687 -2.052 321 HD12 LEU 40 HD12 LEU 40 4.322 -10.926 -0.906 322 HD13 LEU 40 HD13 LEU 40 2.844 -9.980 -0.627 323 HD21 LEU 40 HD21 LEU 40 4.387 -7.122 -1.405 324 HD22 LEU 40 HD22 LEU 40 3.023 -7.532 -0.391 325 HD23 LEU 40 HD23 LEU 40 4.487 -6.827 0.338 326 H PHE 41 H PHE 41 2.360 -10.737 2.179 327 HA PHE 41 HA PHE 41 0.351 -9.510 0.586 328 HB2 PHE 41 HB2 PHE 41 0.148 -11.985 2.347 329 HB3 PHE 41 HB3 PHE 41 -0.921 -11.566 1.020 330 HD1 PHE 41 HD1 PHE 41 2.525 -12.546 1.904 331 HD2 PHE 41 HD2 PHE 41 -0.220 -11.884 -1.331 332 HE1 PHE 41 HE1 PHE 41 4.168 -13.523 0.330 333 HE2 PHE 41 HE2 PHE 41 1.396 -12.936 -2.899 334 HZ PHE 41 HZ PHE 41 3.580 -13.759 -2.084 335 H TRP 42 H TRP 42 0.683 -10.070 4.118 336 HA TRP 42 HA TRP 42 -1.811 -8.934 4.884 337 HB2 TRP 42 HB2 TRP 42 0.873 -9.296 6.241 338 HB3 TRP 42 HB3 TRP 42 -0.389 -8.378 7.028 339 HD1 TRP 42 HD1 TRP 42 0.803 -11.819 6.704 340 HE1 TRP 42 HE1 TRP 42 -0.881 -13.533 7.540 341 HE3 TRP 42 HE3 TRP 42 -3.284 -8.757 7.063 342 HZ2 TRP 42 HZ2 TRP 42 -3.708 -13.573 8.271 343 HZ3 TRP 42 HZ3 TRP 42 -5.473 -9.667 7.796 344 HH2 TRP 42 HH2 TRP 42 -5.697 -12.072 8.397 345 H GLU 43 H GLU 43 1.340 -7.312 4.019 346 HA GLU 43 HA GLU 43 0.461 -4.825 5.137 347 HB2 GLU 43 HB2 GLU 43 2.811 -5.589 4.963 348 HB3 GLU 43 HB3 GLU 43 2.728 -5.467 3.201 349 HG2 GLU 43 HG2 GLU 43 2.549 -3.105 3.271 350 HG3 GLU 43 HG3 GLU 43 2.065 -3.104 4.974 351 H VAL 44 H VAL 44 0.283 -6.299 1.820 352 HA VAL 44 HA VAL 44 -0.655 -3.847 0.652 353 HB VAL 44 HB VAL 44 -1.373 -5.320 -1.177 354 HG11 VAL 44 HG11 VAL 44 0.924 -5.793 -1.926 355 HG12 VAL 44 HG12 VAL 44 0.900 -4.263 -1.015 356 HG13 VAL 44 HG13 VAL 44 1.500 -5.757 -0.250 357 HG21 VAL 44 HG21 VAL 44 -0.031 -7.516 0.343 358 HG22 VAL 44 HG22 VAL 44 -1.767 -7.468 -0.101 359 HG23 VAL 44 HG23 VAL 44 -0.526 -7.596 -1.338 360 H MET 45 H MET 45 -2.257 -6.773 1.912 361 HA MET 45 HA MET 45 -4.931 -6.026 1.438 362 HB2 MET 45 HB2 MET 45 -3.570 -7.635 3.624 363 HB3 MET 45 HB3 MET 45 -5.309 -7.374 3.609 364 HG2 MET 45 HG2 MET 45 -3.783 -8.521 1.248 365 HG3 MET 45 HG3 MET 45 -4.523 -9.491 2.513 366 HE1 MET 45 HE1 MET 45 -6.561 -9.191 -1.193 367 HE2 MET 45 HE2 MET 45 -4.951 -8.467 -0.993 368 HE3 MET 45 HE3 MET 45 -5.255 -10.133 -0.428 369 H ASP 46 H ASP 46 -2.760 -5.225 4.173 370 HA ASP 46 HA ASP 46 -4.610 -3.629 5.621 371 HB2 ASP 46 HB2 ASP 46 -2.498 -4.340 6.591 372 HB3 ASP 46 HB3 ASP 46 -1.584 -3.395 5.432 373 H GLU 47 H GLU 47 -2.335 -2.707 2.975 374 HA GLU 47 HA GLU 47 -2.847 0.057 3.041 375 HB2 GLU 47 HB2 GLU 47 -0.836 -0.733 2.145 376 HB3 GLU 47 HB3 GLU 47 -1.612 -2.002 1.238 377 HG2 GLU 47 HG2 GLU 47 -0.735 -0.482 -0.242 378 HG3 GLU 47 HG3 GLU 47 -2.485 -0.480 -0.377 379 H VAL 48 H VAL 48 -4.919 -2.510 2.000 380 HA VAL 48 HA VAL 48 -6.629 -0.530 0.545 381 HB VAL 48 HB VAL 48 -7.469 -2.249 -0.879 382 HG11 VAL 48 HG11 VAL 48 -5.359 -1.107 -1.533 383 HG12 VAL 48 HG12 VAL 48 -4.439 -2.464 -0.836 384 HG13 VAL 48 HG13 VAL 48 -5.503 -2.740 -2.227 385 HG21 VAL 48 HG21 VAL 48 -5.587 -4.218 0.456 386 HG22 VAL 48 HG22 VAL 48 -7.345 -4.222 0.641 387 HG23 VAL 48 HG23 VAL 48 -6.620 -4.553 -0.940 388 H HIS 49 H HIS 49 -6.349 -2.102 3.425 389 HA HIS 49 HA HIS 49 -8.602 -3.546 3.579 390 HB2 HIS 49 HB2 HIS 49 -6.581 -2.994 5.306 391 HB3 HIS 49 HB3 HIS 49 -7.915 -2.239 6.157 392 HD1 HIS 49 HD1 HIS 49 -8.936 -4.023 7.827 393 HD2 HIS 49 HD2 HIS 49 -7.467 -5.598 4.211 394 HE1 HIS 49 HE1 HIS 49 -9.329 -6.536 7.933 395 H GLU 50 H GLU 50 -8.709 -0.070 3.629 396 HA GLU 50 HA GLU 50 -11.201 0.265 4.987 397 HB2 GLU 50 HB2 GLU 50 -9.925 1.865 2.727 398 HB3 GLU 50 HB3 GLU 50 -11.366 2.363 3.623 399 HG2 GLU 50 HG2 GLU 50 -10.046 2.313 5.747 400 HG3 GLU 50 HG3 GLU 50 -8.595 1.918 4.815 401 H GLU 51 H GLU 51 -10.440 -1.099 1.840 402 HA GLU 51 HA GLU 51 -13.213 -0.924 0.861 403 HB2 GLU 51 HB2 GLU 51 -10.689 -2.149 -0.289 404 HB3 GLU 51 HB3 GLU 51 -12.268 -2.198 -1.083 405 HG2 GLU 51 HG2 GLU 51 -12.398 0.227 -1.162 406 HG3 GLU 51 HG3 GLU 51 -10.868 0.377 -0.306 407 H GLU 52 H GLU 52 -11.466 -2.915 3.006 408 HA GLU 52 HA GLU 52 -12.700 -5.472 2.097 409 HB2 GLU 52 HB2 GLU 52 -10.059 -4.892 3.376 410 HB3 GLU 52 HB3 GLU 52 -10.661 -6.493 3.072 411 HG2 GLU 52 HG2 GLU 52 -10.085 -4.388 0.942 412 HG3 GLU 52 HG3 GLU 52 -9.097 -5.768 1.357 413 H GLU 53 H GLU 53 -12.271 -3.322 4.892 414 HA GLU 53 HA GLU 53 -12.667 -5.146 6.957 415 HB2 GLU 53 HB2 GLU 53 -13.431 -3.278 8.294 416 HB3 GLU 53 HB3 GLU 53 -12.039 -2.830 7.317 417 HG2 GLU 53 HG2 GLU 53 -13.525 -1.651 5.716 418 HG3 GLU 53 HG3 GLU 53 -14.934 -2.121 6.677 419 H PHE 54 H PHE 54 -15.032 -4.012 4.635 420 HA PHE 54 HA PHE 54 -17.353 -5.020 6.092 421 HB2 PHE 54 HB2 PHE 54 -17.113 -4.152 3.187 422 HB3 PHE 54 HB3 PHE 54 -18.588 -4.290 4.128 423 HD1 PHE 54 HD2 PHE 54 -18.793 -2.770 6.263 424 HD2 PHE 54 HD1 PHE 54 -15.981 -2.051 3.067 425 HE1 PHE 54 HE2 PHE 54 -18.562 -0.404 6.992 426 HE2 PHE 54 HE1 PHE 54 -15.747 0.301 3.809 427 HZ PHE 54 HZ PHE 54 -17.038 1.132 5.767 428 H ALA 55 H ALA 55 -14.899 -6.574 4.325 429 HA ALA 55 HA ALA 55 -16.646 -8.817 3.472 430 HB1 ALA 55 HB1 ALA 55 -15.616 -8.751 1.229 431 HB2 ALA 55 HB2 ALA 55 -16.382 -7.196 1.574 432 HB3 ALA 55 HB3 ALA 55 -14.620 -7.362 1.707 433 H VAL 56 H VAL 56 -14.075 -8.134 5.380 434 HA VAL 56 HA VAL 56 -12.432 -10.366 4.564 435 HB VAL 56 HB VAL 56 -11.349 -8.482 5.437 436 HG11 VAL 56 HG11 VAL 56 -12.770 -8.835 8.093 437 HG12 VAL 56 HG12 VAL 56 -11.478 -7.676 7.711 438 HG13 VAL 56 HG13 VAL 56 -13.053 -7.530 6.925 439 HG21 VAL 56 HG21 VAL 56 -10.429 -10.734 5.819 440 HG22 VAL 56 HG22 VAL 56 -9.896 -9.554 7.040 441 HG23 VAL 56 HG23 VAL 56 -11.158 -10.753 7.435 442 H GLU 57 H GLU 57 -14.234 -11.743 4.351 443 HA GLU 57 HA GLU 57 -14.671 -13.537 6.613 444 HB2 GLU 57 HB2 GLU 57 -17.169 -13.237 6.451 445 HB3 GLU 57 HB3 GLU 57 -16.322 -11.910 7.208 446 HG2 GLU 57 HG2 GLU 57 -16.622 -10.451 5.395 447 HG3 GLU 57 HG3 GLU 57 -16.939 -11.743 4.253 448 H GLY 58 H GLY 58 -13.303 -13.867 4.193 449 HA2 GLY 58 HA2 GLY 58 -14.868 -15.885 2.727 450 HA3 GLY 58 HA3 GLY 58 -14.407 -14.442 1.819 451 HA PRO 59 HA PRO 59 -10.936 -17.588 1.787 452 HB2 PRO 59 HB2 PRO 59 -10.765 -18.073 -0.861 453 HB3 PRO 59 HB3 PRO 59 -12.001 -18.838 0.180 454 HG2 PRO 59 HG2 PRO 59 -12.325 -16.393 -1.593 455 HG3 PRO 59 HG3 PRO 59 -13.385 -17.843 -1.453 456 HD2 PRO 59 HD2 PRO 59 -13.900 -15.528 -0.111 457 HD3 PRO 59 HD3 PRO 59 -14.304 -17.156 0.518 458 H LEU 60 H LEU 60 -8.830 -17.388 0.281 459 HA LEU 60 HA LEU 60 -8.242 -14.655 -0.609 460 HB2 LEU 60 HB2 LEU 60 -7.676 -15.083 1.964 461 HB3 LEU 60 HB3 LEU 60 -6.361 -16.052 1.327 462 HG LEU 60 HG LEU 60 -5.696 -13.811 2.033 463 HD11 LEU 60 HD11 LEU 60 -4.294 -13.190 0.229 464 HD12 LEU 60 HD12 LEU 60 -4.466 -14.953 0.157 465 HD13 LEU 60 HD13 LEU 60 -5.356 -13.913 -0.982 466 HD21 LEU 60 HD21 LEU 60 -6.364 -11.781 0.963 467 HD22 LEU 60 HD22 LEU 60 -7.310 -12.646 -0.270 468 HD23 LEU 60 HD23 LEU 60 -7.839 -12.642 1.429 469 H TRP 61 H TRP 61 -6.871 -14.807 -2.393 470 HA TRP 61 HA TRP 61 -5.646 -17.431 -3.053 471 HB2 TRP 61 HB2 TRP 61 -7.541 -15.679 -4.594 472 HB3 TRP 61 HB3 TRP 61 -6.665 -16.928 -5.397 473 HD1 TRP 61 HD1 TRP 61 -9.706 -16.214 -3.324 474 HE1 TRP 61 HE1 TRP 61 -11.209 -18.306 -3.201 475 HE3 TRP 61 HE3 TRP 61 -6.465 -19.587 -5.271 476 HZ2 TRP 61 HZ2 TRP 61 -10.967 -21.149 -3.807 477 HZ3 TRP 61 HZ3 TRP 61 -7.095 -22.000 -5.507 478 HH2 TRP 61 HH2 TRP 61 -9.346 -22.779 -4.774 479 H ILE 62 H ILE 62 -3.873 -17.195 -4.601 480 HA ILE 62 HA ILE 62 -2.870 -14.410 -4.984 481 HB ILE 62 HB ILE 62 -1.135 -16.780 -4.219 482 HG12 ILE 62 HG12 ILE 62 -2.550 -16.478 -2.251 483 HG13 ILE 62 HG13 ILE 62 -0.882 -16.059 -1.962 484 HG21 ILE 62 HG21 ILE 62 0.488 -14.988 -3.585 485 HG22 ILE 62 HG22 ILE 62 0.098 -15.017 -5.297 486 HG23 ILE 62 HG23 ILE 62 -0.641 -13.776 -4.257 487 HD11 ILE 62 HD11 ILE 62 -1.481 -13.616 -2.159 488 HD12 ILE 62 HD12 ILE 62 -3.173 -14.102 -2.295 489 HD13 ILE 62 HD13 ILE 62 -2.258 -14.469 -0.824 490 H GLN 63 H GLN 63 -1.869 -14.077 -6.958 491 HA GLN 63 HA GLN 63 -0.669 -16.395 -8.373 492 HB2 GLN 63 HB2 GLN 63 -2.759 -15.998 -9.562 493 HB3 GLN 63 HB3 GLN 63 -2.403 -14.274 -9.662 494 HG2 GLN 63 HG2 GLN 63 -0.392 -14.789 -11.066 495 HG3 GLN 63 HG3 GLN 63 -0.817 -16.501 -11.019 496 HE21 GLN 63 HE22 GLN 63 -0.738 -14.119 -13.149 497 HE22 GLN 63 HE21 GLN 63 -2.233 -14.376 -14.028 498 H VAL 64 H VAL 64 1.311 -15.763 -7.550 499 HA VAL 64 HA VAL 64 2.486 -13.111 -7.945 500 HB VAL 64 HB VAL 64 3.179 -14.712 -6.164 501 HG11 VAL 64 HG11 VAL 64 4.597 -16.281 -8.362 502 HG12 VAL 64 HG12 VAL 64 4.627 -16.585 -6.611 503 HG13 VAL 64 HG13 VAL 64 3.132 -16.844 -7.518 504 HG21 VAL 64 HG21 VAL 64 4.709 -12.912 -6.776 505 HG22 VAL 64 HG22 VAL 64 5.611 -14.391 -6.428 506 HG23 VAL 64 HG23 VAL 64 5.384 -13.889 -8.098 507 H GLN 65 H GLN 65 3.966 -12.552 -9.777 508 HA GLN 65 HA GLN 65 5.093 -14.824 -11.147 509 HB2 GLN 65 HB2 GLN 65 4.854 -13.634 -13.373 510 HB3 GLN 65 HB3 GLN 65 3.459 -14.550 -12.832 511 HG2 GLN 65 HG2 GLN 65 3.655 -11.549 -12.350 512 HG3 GLN 65 HG3 GLN 65 3.157 -12.202 -13.898 513 HE21 GLN 65 HE22 GLN 65 2.103 -11.548 -10.663 514 HE22 GLN 65 HE21 GLN 65 0.534 -12.306 -10.808 515 H ALA 66 H ALA 66 7.089 -14.185 -12.119 516 HA ALA 66 HA ALA 66 8.252 -11.813 -10.721 517 HB1 ALA 66 HB1 ALA 66 9.619 -14.337 -11.721 518 HB2 ALA 66 HB2 ALA 66 10.391 -12.992 -10.857 519 HB3 ALA 66 HB3 ALA 66 9.186 -13.989 -10.027 520 H LEU 67 H LEU 67 9.468 -10.358 -11.756 521 HA LEU 67 HA LEU 67 9.558 -10.278 -14.724 522 HB2 LEU 67 HB2 LEU 67 8.795 -8.075 -12.734 523 HB3 LEU 67 HB3 LEU 67 8.968 -7.855 -14.454 524 HG LEU 67 HG LEU 67 7.165 -9.923 -14.468 525 HD11 LEU 67 HD11 LEU 67 6.525 -8.287 -12.032 526 HD12 LEU 67 HD12 LEU 67 5.447 -9.481 -12.819 527 HD13 LEU 67 HD13 LEU 67 6.940 -10.017 -12.071 528 HD21 LEU 67 HD21 LEU 67 6.852 -7.749 -15.643 529 HD22 LEU 67 HD22 LEU 67 5.389 -8.257 -14.775 530 HD23 LEU 67 HD23 LEU 67 6.428 -6.994 -14.080 531 H ASP 68 H ASP 68 11.041 -8.109 -15.152 532 HA ASP 68 HA ASP 68 13.532 -9.236 -14.826 533 HB2 ASP 68 HB2 ASP 68 12.852 -7.650 -16.611 534 HB3 ASP 68 HB3 ASP 68 13.002 -6.318 -15.457 535 H LYS 69 H LYS 69 12.173 -6.669 -12.748 536 HA LYS 69 HA LYS 69 14.373 -7.142 -10.829 537 HB2 LYS 69 HB2 LYS 69 13.552 -4.406 -11.767 538 HB3 LYS 69 HB3 LYS 69 14.639 -4.696 -10.416 539 HG2 LYS 69 HG2 LYS 69 15.215 -5.501 -13.279 540 HG3 LYS 69 HG3 LYS 69 15.782 -4.042 -12.502 541 HD2 LYS 69 HD2 LYS 69 17.061 -5.334 -10.850 542 HD3 LYS 69 HD3 LYS 69 16.469 -6.852 -11.496 543 HE2 LYS 69 HE2 LYS 69 18.105 -4.832 -13.099 544 HE3 LYS 69 HE3 LYS 69 18.784 -6.224 -12.248 545 HZ1 LYS 69 HZ1 LYS 69 16.832 -6.385 -14.488 546 HZ2 LYS 69 HZ2 LYS 69 18.428 -6.752 -14.556 547 HZ3 LYS 69 HZ3 LYS 69 17.416 -7.670 -13.652 548 H GLY 70 H GLY 70 11.518 -7.946 -10.871 549 HA2 GLY 70 HA2 GLY 70 10.705 -7.189 -8.231 550 HA3 GLY 70 HA3 GLY 70 9.869 -6.194 -9.414 551 H LEU 71 H LEU 71 8.071 -7.476 -8.253 552 HA LEU 71 HA LEU 71 7.311 -9.738 -10.042 553 HB2 LEU 71 HB2 LEU 71 6.807 -9.693 -7.041 554 HB3 LEU 71 HB3 LEU 71 6.253 -10.892 -8.179 555 HG LEU 71 HG LEU 71 9.052 -10.875 -8.590 556 HD11 LEU 71 HD11 LEU 71 8.423 -10.747 -5.607 557 HD12 LEU 71 HD12 LEU 71 10.008 -11.093 -6.336 558 HD13 LEU 71 HD13 LEU 71 9.263 -9.490 -6.536 559 HD21 LEU 71 HD21 LEU 71 8.985 -13.086 -7.491 560 HD22 LEU 71 HD22 LEU 71 7.322 -12.721 -6.954 561 HD23 LEU 71 HD23 LEU 71 7.678 -12.848 -8.668 562 H GLU 72 H GLU 72 5.230 -9.717 -10.603 563 HA GLU 72 HA GLU 72 3.378 -7.628 -9.538 564 HB2 GLU 72 HB2 GLU 72 3.323 -9.274 -12.095 565 HB3 GLU 72 HB3 GLU 72 1.817 -8.821 -11.322 566 HG2 GLU 72 HG2 GLU 72 2.477 -6.421 -11.423 567 HG3 GLU 72 HG3 GLU 72 3.879 -6.883 -12.389 568 H ILE 73 H ILE 73 1.598 -8.352 -8.363 569 HA ILE 73 HA ILE 73 1.226 -11.255 -8.164 570 HB ILE 73 HB ILE 73 1.302 -9.383 -5.779 571 HG12 ILE 73 HG12 ILE 73 3.410 -11.243 -6.875 572 HG13 ILE 73 HG13 ILE 73 3.587 -9.580 -6.340 573 HG21 ILE 73 HG21 ILE 73 1.106 -12.431 -5.880 574 HG22 ILE 73 HG22 ILE 73 0.967 -11.374 -4.445 575 HG23 ILE 73 HG23 ILE 73 -0.286 -11.343 -5.666 576 HD11 ILE 73 HD11 ILE 73 4.696 -10.920 -4.774 577 HD12 ILE 73 HD12 ILE 73 3.223 -10.283 -4.025 578 HD13 ILE 73 HD13 ILE 73 3.289 -11.986 -4.547 579 H ILE 74 H ILE 74 -0.833 -11.672 -8.664 580 HA ILE 74 HA ILE 74 -2.940 -9.578 -8.377 581 HB ILE 74 HB ILE 74 -2.749 -12.157 -9.989 582 HG12 ILE 74 HG12 ILE 74 -3.447 -10.789 -11.906 583 HG13 ILE 74 HG13 ILE 74 -3.444 -9.344 -10.918 584 HG21 ILE 74 HG21 ILE 74 -5.225 -10.475 -9.447 585 HG22 ILE 74 HG22 ILE 74 -5.113 -11.750 -10.685 586 HG23 ILE 74 HG23 ILE 74 -4.937 -12.180 -8.990 587 HD11 ILE 74 HD11 ILE 74 -0.978 -9.479 -10.723 588 HD12 ILE 74 HD12 ILE 74 -1.018 -11.059 -11.561 589 HD13 ILE 74 HD13 ILE 74 -1.469 -9.573 -12.415 590 H VAL 75 H VAL 75 -4.680 -10.086 -6.956 591 HA VAL 75 HA VAL 75 -4.357 -12.417 -5.201 592 HB VAL 75 HB VAL 75 -5.090 -9.918 -3.785 593 HG11 VAL 75 HG11 VAL 75 -4.606 -12.058 -2.650 594 HG12 VAL 75 HG12 VAL 75 -2.944 -12.015 -3.285 595 HG13 VAL 75 HG13 VAL 75 -3.488 -10.789 -2.120 596 HG21 VAL 75 HG21 VAL 75 -3.348 -8.878 -5.226 597 HG22 VAL 75 HG22 VAL 75 -2.865 -8.985 -3.535 598 HG23 VAL 75 HG23 VAL 75 -2.199 -10.140 -4.715 599 H THR 76 H THR 76 -6.380 -13.421 -5.030 600 HA THR 76 HA THR 76 -8.648 -11.868 -6.207 601 HB THR 76 HB THR 76 -9.209 -13.588 -7.623 602 HG1 THR 76 HG1 THR 76 -8.568 -15.652 -7.554 603 HG21 THR 76 HG21 THR 76 -7.082 -12.524 -8.392 604 HG22 THR 76 HG22 THR 76 -6.154 -13.827 -7.594 605 HG23 THR 76 HG23 THR 76 -7.240 -14.185 -8.953 606 H LYS 77 H LYS 77 -10.814 -12.933 -5.817 607 HA LYS 77 HA LYS 77 -11.142 -14.516 -3.410 608 HB2 LYS 77 HB2 LYS 77 -11.713 -11.540 -3.454 609 HB3 LYS 77 HB3 LYS 77 -12.857 -12.574 -2.631 610 HG2 LYS 77 HG2 LYS 77 -11.582 -12.676 -0.826 611 HG3 LYS 77 HG3 LYS 77 -10.291 -13.410 -1.733 612 HD2 LYS 77 HD2 LYS 77 -9.404 -11.495 -0.621 613 HD3 LYS 77 HD3 LYS 77 -9.397 -11.200 -2.354 614 HE2 LYS 77 HE2 LYS 77 -10.025 -9.196 -1.146 615 HE3 LYS 77 HE3 LYS 77 -11.370 -9.724 -2.142 616 HZ1 LYS 77 HZ1 LYS 77 -12.539 -10.440 -0.194 617 HZ2 LYS 77 HZ2 LYS 77 -11.183 -10.346 0.756 618 HZ3 LYS 77 HZ3 LYS 77 -11.855 -8.975 0.190 619 H ALA 78 H ALA 78 -13.517 -14.929 -3.080 620 HA ALA 78 HA ALA 78 -15.258 -14.604 -5.451 621 HB1 ALA 78 HB1 ALA 78 -14.065 -16.747 -5.832 622 HB2 ALA 78 HB2 ALA 78 -14.481 -17.288 -4.185 623 HB3 ALA 78 HB3 ALA 78 -15.761 -17.046 -5.396 624 H GLN 79 H GLN 79 -16.866 -13.461 -4.348 625 HA GLN 79 HA GLN 79 -17.911 -14.545 -1.796 626 HB2 GLN 79 HB2 GLN 79 -16.899 -11.684 -2.154 627 HB3 GLN 79 HB3 GLN 79 -17.755 -12.311 -0.745 628 HG2 GLN 79 HG2 GLN 79 -15.878 -13.951 -0.383 629 HG3 GLN 79 HG3 GLN 79 -15.007 -13.197 -1.726 630 HE21 GLN 79 HE22 GLN 79 -16.490 -12.390 1.478 631 HE22 GLN 79 HE21 GLN 79 -15.271 -11.187 1.863 632 H LEU 80 H LEU 80 -19.875 -13.249 -1.115 633 HA LEU 80 HA LEU 80 -21.832 -13.527 -3.082 634 HB2 LEU 80 HB2 LEU 80 -22.216 -13.650 -0.645 635 HB3 LEU 80 HB3 LEU 80 -21.887 -11.921 -0.497 636 HG LEU 80 HG LEU 80 -23.903 -11.396 -1.826 637 HD11 LEU 80 HD11 LEU 80 -24.353 -14.421 -1.858 638 HD12 LEU 80 HD12 LEU 80 -25.558 -13.201 -2.325 639 HD13 LEU 80 HD13 LEU 80 -24.082 -13.380 -3.273 640 HD21 LEU 80 HD21 LEU 80 -24.057 -11.576 0.620 641 HD22 LEU 80 HD22 LEU 80 -25.564 -12.083 -0.156 642 HD23 LEU 80 HD23 LEU 80 -24.445 -13.304 0.489 643 H SER 81 H SER 81 -19.955 -10.635 -2.223 644 HA SER 81 HA SER 81 -21.567 -8.652 -3.259 645 HB2 SER 81 HB2 SER 81 -18.543 -8.581 -3.228 646 HB3 SER 81 HB3 SER 81 -19.675 -7.242 -3.014 647 HG SER 81 HG SER 81 -18.834 -7.980 -0.992 648 H LYS 82 H LYS 82 -20.393 -11.065 -5.210 649 HA LYS 82 HA LYS 82 -19.958 -9.779 -7.730 650 HB2 LYS 82 HB2 LYS 82 -19.779 -12.244 -7.233 651 HB3 LYS 82 HB3 LYS 82 -21.537 -12.314 -7.068 652 HG2 LYS 82 HG2 LYS 82 -21.792 -11.635 -9.434 653 HG3 LYS 82 HG3 LYS 82 -20.031 -11.479 -9.586 654 HD2 LYS 82 HD2 LYS 82 -19.774 -13.902 -9.090 655 HD3 LYS 82 HD3 LYS 82 -21.539 -14.053 -8.928 656 HE2 LYS 82 HE2 LYS 82 -21.820 -13.303 -11.286 657 HE3 LYS 82 HE3 LYS 82 -20.066 -13.145 -11.443 658 HZ1 LYS 82 HZ1 LYS 82 -19.881 -15.546 -11.082 659 HZ2 LYS 82 HZ2 LYS 82 -21.506 -15.690 -10.923 660 HZ3 LYS 82 HZ3 LYS 82 -20.859 -15.247 -12.350 661 H ASP 83 H ASP 83 -22.805 -10.140 -5.653 662 HA ASP 83 HA ASP 83 -24.201 -8.140 -7.361 663 HB2 ASP 83 HB2 ASP 83 -25.554 -10.128 -7.576 664 HB3 ASP 83 HB3 ASP 83 -25.423 -10.471 -5.842 665 H LEU 84 H LEU 84 -24.475 -6.283 -6.208 666 HA LEU 84 HA LEU 84 -24.521 -6.291 -3.281 667 HB2 LEU 84 HB2 LEU 84 -22.063 -6.390 -3.895 668 HB3 LEU 84 HB3 LEU 84 -22.269 -4.892 -4.793 669 HG LEU 84 HG LEU 84 -23.022 -3.791 -2.608 670 HD11 LEU 84 HD11 LEU 84 -22.343 -4.935 -0.503 671 HD12 LEU 84 HD12 LEU 84 -23.632 -5.819 -1.319 672 HD13 LEU 84 HD13 LEU 84 -21.956 -6.406 -1.419 673 HD21 LEU 84 HD21 LEU 84 -20.747 -3.515 -3.516 674 HD22 LEU 84 HD22 LEU 84 -20.733 -3.563 -1.748 675 HD23 LEU 84 HD23 LEU 84 -20.221 -4.991 -2.682 676 H ASP 85 H ASP 85 -24.020 -4.170 -6.182 677 HA ASP 85 HA ASP 85 -26.326 -2.491 -5.334 678 HB2 ASP 85 HB2 ASP 85 -24.158 -1.693 -4.399 679 HB3 ASP 85 HB3 ASP 85 -23.548 -1.456 -6.029 680 H LYS 86 H LYS 86 -25.996 -4.443 -7.422 681 HA LYS 86 HA LYS 86 -25.332 -3.215 -9.949 682 HB2 LYS 86 HB2 LYS 86 -26.879 -5.745 -9.347 683 HB3 LYS 86 HB3 LYS 86 -26.406 -5.215 -10.963 684 HG2 LYS 86 HG2 LYS 86 -24.550 -5.968 -8.668 685 HG3 LYS 86 HG3 LYS 86 -24.907 -6.870 -10.140 686 HD2 LYS 86 HD2 LYS 86 -23.821 -5.085 -11.512 687 HD3 LYS 86 HD3 LYS 86 -23.417 -4.230 -10.013 688 HE2 LYS 86 HE2 LYS 86 -21.457 -5.401 -10.582 689 HE3 LYS 86 HE3 LYS 86 -22.187 -6.255 -9.212 690 HZ1 LYS 86 HZ1 LYS 86 -21.376 -7.746 -10.965 691 HZ2 LYS 86 HZ2 LYS 86 -22.972 -7.952 -10.749 692 HZ3 LYS 86 HZ3 LYS 86 -22.413 -7.110 -12.054 693 H LEU 87 H LEU 87 -26.764 -2.612 -11.663 694 HA LEU 87 HA LEU 87 -29.159 -1.202 -10.858 695 HB2 LEU 87 HB2 LEU 87 -27.761 -1.813 -13.495 696 HB3 LEU 87 HB3 LEU 87 -29.368 -1.177 -13.496 697 HG LEU 87 HG LEU 87 -27.769 0.568 -13.876 698 HD11 LEU 87 HD11 LEU 87 -29.890 1.083 -12.697 699 HD12 LEU 87 HD12 LEU 87 -29.041 0.953 -11.137 700 HD13 LEU 87 HD13 LEU 87 -28.581 2.210 -12.301 701 HD21 LEU 87 HD21 LEU 87 -25.869 -0.361 -12.603 702 HD22 LEU 87 HD22 LEU 87 -26.177 1.340 -12.223 703 HD23 LEU 87 HD23 LEU 87 -26.677 0.078 -11.082 704 H VAL 88 H VAL 88 -31.283 -1.627 -11.786 705 HA VAL 88 HA VAL 88 -31.889 -4.398 -12.594 706 HB VAL 88 HB VAL 88 -33.763 -4.526 -11.013 707 HG11 VAL 88 HG11 VAL 88 -32.554 -5.064 -9.002 708 HG12 VAL 88 HG12 VAL 88 -31.587 -5.547 -10.401 709 HG13 VAL 88 HG13 VAL 88 -31.168 -4.075 -9.490 710 HG21 VAL 88 HG21 VAL 88 -34.185 -2.148 -10.629 711 HG22 VAL 88 HG22 VAL 88 -33.997 -3.029 -9.114 712 HG23 VAL 88 HG23 VAL 88 -32.669 -2.010 -9.710 713 HA PRO 89 HA PRO 89 -34.622 -2.486 -15.493 714 HB2 PRO 89 HB2 PRO 89 -36.832 -4.232 -14.411 715 HB3 PRO 89 HB3 PRO 89 -36.314 -3.979 -16.109 716 HG2 PRO 89 HG2 PRO 89 -35.617 -6.220 -14.768 717 HG3 PRO 89 HG3 PRO 89 -34.449 -5.403 -15.857 718 HD2 PRO 89 HD2 PRO 89 -34.588 -5.305 -12.852 719 HD3 PRO 89 HD3 PRO 89 -33.173 -5.362 -13.924 720 H ARG 90 H ARG 90 -36.439 -1.075 -15.738 721 HA ARG 90 HA ARG 90 -37.151 0.562 -13.465 722 HB2 ARG 90 HB2 ARG 90 -38.238 0.416 -16.318 723 HB3 ARG 90 HB3 ARG 90 -38.860 1.500 -15.084 724 HG2 ARG 90 HG2 ARG 90 -37.404 2.830 -16.315 725 HG3 ARG 90 HG3 ARG 90 -36.536 2.460 -14.823 726 HD2 ARG 90 HD2 ARG 90 -35.136 0.835 -15.967 727 HD3 ARG 90 HD3 ARG 90 -36.085 0.981 -17.448 728 HE ARG 90 HE ARG 90 -34.078 2.824 -16.349 729 HH11 ARG 90 HH11 ARG 90 -36.604 2.442 -18.837 730 HH12 ARG 90 HH12 ARG 90 -36.003 3.721 -19.831 731 HH21 ARG 90 HH21 ARG 90 -33.292 4.520 -17.671 732 HH22 ARG 90 HH22 ARG 90 -34.086 4.931 -19.146 Start of MODEL 9 1 H1 MET 1 H1 MET 1 6.392 0.402 -2.902 2 H2 MET 1 H2 MET 1 5.894 1.516 -4.012 3 H3 MET 1 H3 MET 1 4.922 1.138 -2.756 4 HA MET 1 HA MET 1 5.722 -0.597 -4.991 5 HB2 MET 1 HB2 MET 1 4.417 -2.392 -4.140 6 HB3 MET 1 HB3 MET 1 5.553 -1.914 -2.908 7 HG2 MET 1 HG2 MET 1 3.609 -0.566 -1.860 8 HG3 MET 1 HG3 MET 1 2.559 -1.435 -2.966 9 HE1 MET 1 HE1 MET 1 3.149 -5.144 -1.746 10 HE2 MET 1 HE2 MET 1 2.426 -4.077 -2.981 11 HE3 MET 1 HE3 MET 1 4.193 -4.317 -2.922 12 H GLU 2 H GLU 2 3.649 -1.538 -6.109 13 HA GLU 2 HA GLU 2 2.151 0.882 -6.995 14 HB2 GLU 2 HB2 GLU 2 3.977 -1.163 -8.229 15 HB3 GLU 2 HB3 GLU 2 2.621 -0.698 -9.204 16 HG2 GLU 2 HG2 GLU 2 4.540 0.656 -9.746 17 HG3 GLU 2 HG3 GLU 2 3.245 1.652 -9.091 18 H ILE 3 H ILE 3 0.352 0.250 -5.606 19 HA ILE 3 HA ILE 3 -0.911 -2.343 -5.729 20 HB ILE 3 HB ILE 3 -1.979 0.297 -4.711 21 HG12 ILE 3 HG12 ILE 3 0.083 -0.196 -3.514 22 HG13 ILE 3 HG13 ILE 3 -1.325 -0.413 -2.510 23 HG21 ILE 3 HG21 ILE 3 -2.913 -2.568 -4.220 24 HG22 ILE 3 HG22 ILE 3 -3.382 -1.190 -3.200 25 HG23 ILE 3 HG23 ILE 3 -3.838 -1.214 -4.895 26 HD11 ILE 3 HD11 ILE 3 0.321 -2.668 -3.688 27 HD12 ILE 3 HD12 ILE 3 0.284 -2.117 -2.000 28 HD13 ILE 3 HD13 ILE 3 -1.150 -2.877 -2.700 29 H GLU 4 H GLU 4 -2.917 -2.926 -6.834 30 HA GLU 4 HA GLU 4 -4.346 -0.843 -8.338 31 HB2 GLU 4 HB2 GLU 4 -2.905 -2.184 -9.914 32 HB3 GLU 4 HB3 GLU 4 -3.656 -3.645 -9.292 33 HG2 GLU 4 HG2 GLU 4 -4.615 -2.999 -11.371 34 HG3 GLU 4 HG3 GLU 4 -5.848 -2.901 -10.143 35 H ARG 5 H ARG 5 -6.576 -1.303 -8.492 36 HA ARG 5 HA ARG 5 -7.701 -3.429 -6.692 37 HB2 ARG 5 HB2 ARG 5 -8.249 -1.306 -5.760 38 HB3 ARG 5 HB3 ARG 5 -8.627 -0.619 -7.334 39 HG2 ARG 5 HG2 ARG 5 -10.635 -1.030 -6.040 40 HG3 ARG 5 HG3 ARG 5 -10.647 -1.945 -7.532 41 HD2 ARG 5 HD2 ARG 5 -11.548 -3.329 -5.820 42 HD3 ARG 5 HD3 ARG 5 -9.945 -3.986 -6.206 43 HE ARG 5 HE ARG 5 -9.890 -2.064 -4.021 44 HH11 ARG 5 HH11 ARG 5 -10.780 -5.512 -4.619 45 HH12 ARG 5 HH12 ARG 5 -10.617 -5.869 -2.895 46 HH21 ARG 5 HH21 ARG 5 -9.654 -2.650 -1.965 47 HH22 ARG 5 HH22 ARG 5 -9.908 -4.342 -1.433 48 H ILE 6 H ILE 6 -8.186 -5.153 -8.197 49 HA ILE 6 HA ILE 6 -8.803 -4.507 -10.959 50 HB ILE 6 HB ILE 6 -9.148 -7.093 -9.396 51 HG12 ILE 6 HG12 ILE 6 -6.847 -6.476 -9.159 52 HG13 ILE 6 HG13 ILE 6 -6.994 -7.742 -10.331 53 HG21 ILE 6 HG21 ILE 6 -10.417 -7.146 -11.447 54 HG22 ILE 6 HG22 ILE 6 -9.003 -6.608 -12.387 55 HG23 ILE 6 HG23 ILE 6 -9.000 -8.194 -11.574 56 HD11 ILE 6 HD11 ILE 6 -6.755 -6.048 -12.174 57 HD12 ILE 6 HD12 ILE 6 -6.538 -4.805 -10.916 58 HD13 ILE 6 HD13 ILE 6 -5.352 -6.096 -11.086 59 H ASN 7 H ASN 7 -10.514 -5.877 -8.138 60 HA ASN 7 HA ASN 7 -12.959 -4.406 -8.520 61 HB2 ASN 7 HB2 ASN 7 -14.443 -6.234 -9.049 62 HB3 ASN 7 HB3 ASN 7 -13.239 -6.138 -10.305 63 HD21 ASN 7 HD22 ASN 7 -14.151 -8.399 -10.721 64 HD22 ASN 7 HD21 ASN 7 -13.403 -9.717 -9.849 65 H GLU 8 H GLU 8 -14.630 -5.675 -6.827 66 HA GLU 8 HA GLU 8 -13.512 -5.318 -4.296 67 HB2 GLU 8 HB2 GLU 8 -15.913 -7.019 -5.113 68 HB3 GLU 8 HB3 GLU 8 -15.547 -6.485 -3.480 69 HG2 GLU 8 HG2 GLU 8 -16.929 -4.767 -3.990 70 HG3 GLU 8 HG3 GLU 8 -15.490 -4.096 -4.752 71 H HIS 9 H HIS 9 -13.167 -8.130 -6.293 72 HA HIS 9 HA HIS 9 -12.741 -9.927 -3.944 73 HB2 HIS 9 HB2 HIS 9 -13.636 -10.415 -6.778 74 HB3 HIS 9 HB3 HIS 9 -12.861 -11.692 -5.855 75 HD1 HIS 9 HD1 HIS 9 -14.692 -13.189 -4.639 76 HD2 HIS 9 HD2 HIS 9 -15.683 -9.099 -4.969 77 HE1 HIS 9 HE1 HIS 9 -16.899 -12.879 -3.446 78 H THR 10 H THR 10 -11.144 -8.547 -6.759 79 HA THR 10 HA THR 10 -8.658 -10.023 -6.046 80 HB THR 10 HB THR 10 -9.702 -9.133 -8.750 81 HG1 THR 10 HG1 THR 10 -10.247 -11.244 -9.020 82 HG21 THR 10 HG21 THR 10 -7.196 -9.204 -8.661 83 HG22 THR 10 HG22 THR 10 -7.288 -10.871 -8.090 84 HG23 THR 10 HG23 THR 10 -7.879 -10.441 -9.718 85 H VAL 11 H VAL 11 -6.842 -8.913 -5.849 86 HA VAL 11 HA VAL 11 -6.687 -6.086 -6.738 87 HB VAL 11 HB VAL 11 -5.207 -5.589 -4.810 88 HG11 VAL 11 HG11 VAL 11 -6.974 -5.204 -3.179 89 HG12 VAL 11 HG12 VAL 11 -7.589 -4.909 -4.811 90 HG13 VAL 11 HG13 VAL 11 -8.016 -6.414 -3.959 91 HG21 VAL 11 HG21 VAL 11 -6.239 -8.188 -3.566 92 HG22 VAL 11 HG22 VAL 11 -4.570 -7.872 -4.099 93 HG23 VAL 11 HG23 VAL 11 -5.260 -6.942 -2.765 94 H LYS 12 H LYS 12 -4.452 -5.598 -7.424 95 HA LYS 12 HA LYS 12 -2.613 -7.836 -7.203 96 HB2 LYS 12 HB2 LYS 12 -1.977 -8.111 -9.357 97 HB3 LYS 12 HB3 LYS 12 -3.715 -7.957 -9.568 98 HG2 LYS 12 HG2 LYS 12 -3.392 -5.617 -10.275 99 HG3 LYS 12 HG3 LYS 12 -1.635 -5.811 -10.101 100 HD2 LYS 12 HD2 LYS 12 -1.648 -7.660 -11.739 101 HD3 LYS 12 HD3 LYS 12 -3.403 -7.464 -11.990 102 HE2 LYS 12 HE2 LYS 12 -3.123 -5.270 -12.919 103 HE3 LYS 12 HE3 LYS 12 -1.491 -5.160 -12.237 104 HZ1 LYS 12 HZ1 LYS 12 -2.174 -7.033 -14.434 105 HZ2 LYS 12 HZ2 LYS 12 -1.499 -5.555 -14.659 106 HZ3 LYS 12 HZ3 LYS 12 -0.667 -6.689 -13.828 107 H PHE 13 H PHE 13 -0.335 -7.003 -7.688 108 HA PHE 13 HA PHE 13 -0.111 -4.117 -7.713 109 HB2 PHE 13 HB2 PHE 13 1.234 -3.980 -5.640 110 HB3 PHE 13 HB3 PHE 13 -0.426 -4.444 -5.322 111 HD1 PHE 13 HD2 PHE 13 -1.025 -6.794 -4.723 112 HD2 PHE 13 HD1 PHE 13 3.058 -5.484 -5.119 113 HE1 PHE 13 HE2 PHE 13 -0.262 -8.722 -3.352 114 HE2 PHE 13 HE1 PHE 13 3.798 -7.374 -3.662 115 HZ PHE 13 HZ PHE 13 2.110 -8.944 -2.737 116 H TYR 14 H TYR 14 2.161 -3.490 -8.018 117 HA TYR 14 HA TYR 14 3.939 -5.740 -8.833 118 HB2 TYR 14 HB2 TYR 14 3.421 -4.414 -10.755 119 HB3 TYR 14 HB3 TYR 14 3.634 -2.915 -9.887 120 HD1 TYR 14 HD1 TYR 14 5.428 -5.993 -10.974 121 HD2 TYR 14 HD2 TYR 14 5.750 -1.913 -9.668 122 HE1 TYR 14 HE1 TYR 14 7.835 -6.092 -11.443 123 HE2 TYR 14 HE2 TYR 14 8.226 -1.973 -10.111 124 HH TYR 14 HH TYR 14 10.006 -3.228 -10.949 125 H MET 15 H MET 15 5.929 -5.773 -7.881 126 HA MET 15 HA MET 15 6.510 -3.791 -5.735 127 HB2 MET 15 HB2 MET 15 5.292 -5.911 -4.950 128 HB3 MET 15 HB3 MET 15 6.705 -6.812 -5.474 129 HG2 MET 15 HG2 MET 15 8.087 -5.646 -3.909 130 HG3 MET 15 HG3 MET 15 6.771 -4.558 -3.502 131 HE1 MET 15 HE1 MET 15 5.737 -4.830 -1.173 132 HE2 MET 15 HE2 MET 15 6.324 -6.168 -0.161 133 HE3 MET 15 HE3 MET 15 7.484 -5.110 -1.030 134 H SER 16 H SER 16 8.396 -2.944 -6.449 135 HA SER 16 HA SER 16 10.348 -4.418 -8.000 136 HB2 SER 16 HB2 SER 16 10.860 -1.921 -6.385 137 HB3 SER 16 HB3 SER 16 11.686 -2.460 -7.855 138 HG SER 16 HG SER 16 10.170 -0.748 -8.241 139 H TYR 17 H TYR 17 12.373 -5.202 -7.217 140 HA TYR 17 HA TYR 17 12.412 -6.573 -4.794 141 HB2 TYR 17 HB2 TYR 17 14.806 -5.443 -6.280 142 HB3 TYR 17 HB3 TYR 17 14.848 -6.745 -5.094 143 HD1 TYR 17 HD1 TYR 17 12.240 -8.198 -6.120 144 HD2 TYR 17 HD2 TYR 17 15.773 -6.651 -8.087 145 HE1 TYR 17 HE1 TYR 17 12.005 -9.886 -7.861 146 HE2 TYR 17 HE2 TYR 17 15.505 -8.322 -9.877 147 HH TYR 17 HH TYR 17 12.896 -10.812 -9.851 148 H GLY 18 H GLY 18 13.554 -3.221 -5.366 149 HA2 GLY 18 HA2 GLY 18 14.817 -2.884 -2.883 150 HA3 GLY 18 HA3 GLY 18 14.146 -1.612 -3.881 151 H ASP 19 H ASP 19 11.308 -2.871 -3.610 152 HA ASP 19 HA ASP 19 10.518 -1.431 -1.210 153 HB2 ASP 19 HB2 ASP 19 9.143 -2.007 -3.409 154 HB3 ASP 19 HB3 ASP 19 8.813 -3.518 -2.608 155 H ILE 20 H ILE 20 11.135 -4.787 -2.120 156 HA ILE 20 HA ILE 20 10.202 -5.996 0.345 157 HB ILE 20 HB ILE 20 11.838 -6.972 -2.048 158 HG12 ILE 20 HG12 ILE 20 9.028 -7.850 -1.343 159 HG13 ILE 20 HG13 ILE 20 9.256 -6.289 -2.100 160 HG21 ILE 20 HG21 ILE 20 10.645 -8.654 0.180 161 HG22 ILE 20 HG22 ILE 20 11.430 -9.253 -1.284 162 HG23 ILE 20 HG23 ILE 20 12.385 -8.360 -0.085 163 HD11 ILE 20 HD11 ILE 20 8.739 -7.925 -3.786 164 HD12 ILE 20 HD12 ILE 20 10.359 -7.279 -4.033 165 HD13 ILE 20 HD13 ILE 20 10.153 -8.909 -3.324 166 H GLU 21 H GLU 21 13.364 -5.034 -1.039 167 HA GLU 21 HA GLU 21 15.079 -5.838 1.042 168 HB2 GLU 21 HB2 GLU 21 15.183 -3.492 -0.860 169 HB3 GLU 21 HB3 GLU 21 16.525 -3.923 0.168 170 HG2 GLU 21 HG2 GLU 21 15.368 -6.067 -1.627 171 HG3 GLU 21 HG3 GLU 21 16.282 -4.754 -2.306 172 H ASP 22 H ASP 22 13.205 -2.827 0.596 173 HA ASP 22 HA ASP 22 14.323 -1.309 2.711 174 HB2 ASP 22 HB2 ASP 22 12.818 -0.412 0.927 175 HB3 ASP 22 HB3 ASP 22 11.462 -1.214 1.692 176 H ARG 23 H ARG 23 11.554 -3.449 2.597 177 HA ARG 23 HA ARG 23 10.805 -3.273 5.385 178 HB2 ARG 23 HB2 ARG 23 10.279 -5.402 3.276 179 HB3 ARG 23 HB3 ARG 23 9.442 -5.284 4.838 180 HG2 ARG 23 HG2 ARG 23 8.291 -3.335 4.242 181 HG3 ARG 23 HG3 ARG 23 9.363 -2.983 2.886 182 HD2 ARG 23 HD2 ARG 23 8.590 -5.057 1.735 183 HD3 ARG 23 HD3 ARG 23 7.367 -5.300 2.978 184 HE ARG 23 HE ARG 23 7.426 -3.370 0.780 185 HH11 ARG 23 HH12 ARG 23 6.043 -3.755 4.034 186 HH12 ARG 23 HH11 ARG 23 4.790 -2.593 3.801 187 HH21 ARG 23 HH21 ARG 23 5.917 -1.933 0.422 188 HH22 ARG 23 HH22 ARG 23 4.710 -1.464 1.613 189 H GLY 24 H GLY 24 13.533 -4.658 3.880 190 HA2 GLY 24 HA2 GLY 24 15.260 -5.831 4.755 191 HA3 GLY 24 HA3 GLY 24 14.391 -5.956 6.287 192 H PHE 25 H PHE 25 12.610 -7.036 3.548 193 HA PHE 25 HA PHE 25 13.057 -9.922 4.156 194 HB2 PHE 25 HB2 PHE 25 11.081 -8.493 2.339 195 HB3 PHE 25 HB3 PHE 25 11.208 -10.240 2.503 196 HD1 PHE 25 HD1 PHE 25 10.676 -7.172 4.594 197 HD2 PHE 25 HD2 PHE 25 9.600 -11.304 3.984 198 HE1 PHE 25 HE1 PHE 25 9.107 -7.026 6.469 199 HE2 PHE 25 HE2 PHE 25 8.040 -11.145 5.849 200 HZ PHE 25 HZ PHE 25 7.746 -9.011 7.106 201 H ASP 26 H ASP 26 13.001 -11.073 1.670 202 HA ASP 26 HA ASP 26 14.758 -9.533 -0.127 203 HB2 ASP 26 HB2 ASP 26 16.030 -11.372 1.407 204 HB3 ASP 26 HB3 ASP 26 15.389 -12.437 0.180 205 H ARG 27 H ARG 27 14.586 -10.355 -2.279 206 HA ARG 27 HA ARG 27 11.866 -10.879 -2.993 207 HB2 ARG 27 HB2 ARG 27 12.686 -10.764 -5.274 208 HB3 ARG 27 HB3 ARG 27 13.560 -9.569 -4.312 209 HG2 ARG 27 HG2 ARG 27 15.283 -11.683 -4.058 210 HG3 ARG 27 HG3 ARG 27 14.514 -12.111 -5.582 211 HD2 ARG 27 HD2 ARG 27 15.173 -9.858 -6.470 212 HD3 ARG 27 HD3 ARG 27 15.949 -9.486 -4.927 213 HE ARG 27 HE ARG 27 16.933 -11.122 -7.095 214 HH11 ARG 27 HH11 ARG 27 17.275 -10.805 -3.495 215 HH12 ARG 27 HH12 ARG 27 18.912 -11.309 -3.536 216 HH21 ARG 27 HH21 ARG 27 19.073 -11.877 -7.030 217 HH22 ARG 27 HH22 ARG 27 19.924 -12.010 -5.538 218 H GLU 28 H GLU 28 14.541 -13.107 -2.489 219 HA GLU 28 HA GLU 28 12.929 -15.389 -3.485 220 HB2 GLU 28 HB2 GLU 28 15.688 -15.218 -2.238 221 HB3 GLU 28 HB3 GLU 28 14.943 -16.686 -2.830 222 HG2 GLU 28 HG2 GLU 28 14.767 -15.632 -5.114 223 HG3 GLU 28 HG3 GLU 28 15.686 -14.257 -4.503 224 H GLU 29 H GLU 29 14.241 -14.013 -0.428 225 HA GLU 29 HA GLU 29 13.510 -16.116 1.278 226 HB2 GLU 29 HB2 GLU 29 13.856 -13.121 1.687 227 HB3 GLU 29 HB3 GLU 29 13.589 -14.143 3.052 228 HG2 GLU 29 HG2 GLU 29 15.871 -14.757 1.165 229 HG3 GLU 29 HG3 GLU 29 15.960 -13.497 2.382 230 H ILE 30 H ILE 30 11.643 -13.380 0.188 231 HA ILE 30 HA ILE 30 9.272 -13.555 1.650 232 HB ILE 30 HB ILE 30 9.800 -13.086 -1.273 233 HG12 ILE 30 HG12 ILE 30 10.383 -11.453 0.692 234 HG13 ILE 30 HG13 ILE 30 9.722 -10.893 -0.819 235 HG21 ILE 30 HG21 ILE 30 7.032 -12.974 -0.014 236 HG22 ILE 30 HG22 ILE 30 7.494 -12.231 -1.572 237 HG23 ILE 30 HG23 ILE 30 7.568 -13.976 -1.367 238 HD11 ILE 30 HD11 ILE 30 8.071 -11.339 1.724 239 HD12 ILE 30 HD12 ILE 30 8.744 -9.770 1.229 240 HD13 ILE 30 HD13 ILE 30 7.513 -10.542 0.233 241 H TRP 31 H TRP 31 10.150 -15.582 -1.213 242 HA TRP 31 HA TRP 31 7.710 -17.123 -1.008 243 HB2 TRP 31 HB2 TRP 31 10.230 -17.680 -2.589 244 HB3 TRP 31 HB3 TRP 31 8.652 -18.383 -2.884 245 HD1 TRP 31 HD1 TRP 31 10.795 -15.775 -4.113 246 HE1 TRP 31 HE1 TRP 31 9.619 -13.774 -5.146 247 HE3 TRP 31 HE3 TRP 31 5.975 -16.920 -2.791 248 HZ2 TRP 31 HZ2 TRP 31 6.934 -12.658 -5.171 249 HZ3 TRP 31 HZ3 TRP 31 4.113 -15.395 -3.432 250 HH2 TRP 31 HH2 TRP 31 4.573 -13.261 -4.586 251 H TYR 32 H TYR 32 11.064 -17.612 0.019 252 HA TYR 32 HA TYR 32 10.563 -20.438 0.563 253 HB2 TYR 32 HB2 TYR 32 13.082 -18.759 0.702 254 HB3 TYR 32 HB3 TYR 32 13.025 -20.507 0.856 255 HD1 TYR 32 HD2 TYR 32 11.408 -21.648 -1.112 256 HD2 TYR 32 HD1 TYR 32 13.830 -18.100 -1.437 257 HE1 TYR 32 HE2 TYR 32 11.416 -21.895 -3.549 258 HE2 TYR 32 HE1 TYR 32 13.746 -18.260 -3.899 259 HH TYR 32 HH TYR 32 12.080 -20.974 -5.606 260 H ASN 33 H ASN 33 9.798 -17.881 2.416 261 HA ASN 33 HA ASN 33 10.043 -19.457 4.934 262 HB2 ASN 33 HB2 ASN 33 10.399 -16.482 4.432 263 HB3 ASN 33 HB3 ASN 33 10.190 -17.177 6.022 264 HD21 ASN 33 HD22 ASN 33 12.279 -16.595 3.387 265 HD22 ASN 33 HD21 ASN 33 13.790 -17.161 4.072 266 H ARG 34 H ARG 34 7.899 -20.252 4.572 267 HA ARG 34 HA ARG 34 5.932 -19.023 3.122 268 HB2 ARG 34 HB2 ARG 34 4.432 -20.633 3.862 269 HB3 ARG 34 HB3 ARG 34 6.046 -21.345 3.798 270 HG2 ARG 34 HG2 ARG 34 6.224 -21.181 6.280 271 HG3 ARG 34 HG3 ARG 34 4.557 -20.526 6.324 272 HD2 ARG 34 HD2 ARG 34 3.753 -22.519 5.133 273 HD3 ARG 34 HD3 ARG 34 5.392 -23.205 5.160 274 HE ARG 34 HE ARG 34 4.691 -22.552 7.824 275 HH11 ARG 34 HH11 ARG 34 3.678 -24.878 5.329 276 HH12 ARG 34 HH12 ARG 34 3.141 -26.074 6.455 277 HH21 ARG 34 HH21 ARG 34 3.980 -24.145 9.330 278 HH22 ARG 34 HH22 ARG 34 3.317 -25.643 8.780 279 H GLU 35 H GLU 35 6.490 -18.565 6.556 280 HA GLU 35 HA GLU 35 4.012 -17.054 6.925 281 HB2 GLU 35 HB2 GLU 35 4.759 -16.689 9.189 282 HB3 GLU 35 HB3 GLU 35 4.842 -18.391 8.788 283 HG2 GLU 35 HG2 GLU 35 7.276 -16.545 8.808 284 HG3 GLU 35 HG3 GLU 35 6.711 -17.436 10.211 285 H ARG 36 H ARG 36 7.357 -16.292 6.098 286 HA ARG 36 HA ARG 36 7.033 -13.430 6.628 287 HB2 ARG 36 HB2 ARG 36 9.214 -14.964 5.250 288 HB3 ARG 36 HB3 ARG 36 9.221 -13.262 5.572 289 HG2 ARG 36 HG2 ARG 36 9.261 -15.489 7.626 290 HG3 ARG 36 HG3 ARG 36 10.539 -14.357 7.255 291 HD2 ARG 36 HD2 ARG 36 7.876 -13.482 8.466 292 HD3 ARG 36 HD3 ARG 36 9.287 -13.901 9.403 293 HE ARG 36 HE ARG 36 10.340 -12.067 7.713 294 HH11 ARG 36 HH11 ARG 36 7.352 -11.805 9.673 295 HH12 ARG 36 HH12 ARG 36 7.846 -10.328 10.424 296 HH21 ARG 36 HH21 ARG 36 10.826 -9.983 8.527 297 HH22 ARG 36 HH22 ARG 36 9.779 -9.205 9.653 298 H SER 37 H SER 37 6.388 -15.724 4.015 299 HA SER 37 HA SER 37 6.211 -13.705 1.982 300 HB2 SER 37 HB2 SER 37 4.122 -15.777 1.799 301 HB3 SER 37 HB3 SER 37 5.333 -15.282 0.627 302 HG SER 37 HG SER 37 6.860 -16.498 1.784 303 H GLU 38 H GLU 38 3.830 -15.050 4.335 304 HA GLU 38 HA GLU 38 1.586 -13.793 3.470 305 HB2 GLU 38 HB2 GLU 38 2.142 -15.573 5.387 306 HB3 GLU 38 HB3 GLU 38 1.976 -14.146 6.427 307 HG2 GLU 38 HG2 GLU 38 -0.232 -13.706 5.327 308 HG3 GLU 38 HG3 GLU 38 -0.057 -15.188 4.399 309 H GLU 39 H GLU 39 4.092 -12.316 5.545 310 HA GLU 39 HA GLU 39 2.649 -10.110 6.509 311 HB2 GLU 39 HB2 GLU 39 5.524 -9.818 5.670 312 HB3 GLU 39 HB3 GLU 39 4.755 -9.282 7.149 313 HG2 GLU 39 HG2 GLU 39 5.557 -12.125 6.503 314 HG3 GLU 39 HG3 GLU 39 6.489 -10.992 7.377 315 H LEU 40 H LEU 40 4.167 -10.698 3.404 316 HA LEU 40 HA LEU 40 4.145 -8.060 2.307 317 HB2 LEU 40 HB2 LEU 40 5.297 -10.145 1.378 318 HB3 LEU 40 HB3 LEU 40 3.715 -10.678 0.868 319 HG LEU 40 HG LEU 40 5.569 -8.796 -0.426 320 HD11 LEU 40 HD11 LEU 40 4.937 -10.945 -1.338 321 HD12 LEU 40 HD12 LEU 40 3.244 -10.431 -1.444 322 HD13 LEU 40 HD13 LEU 40 4.503 -9.616 -2.419 323 HD21 LEU 40 HD21 LEU 40 3.980 -7.342 -1.465 324 HD22 LEU 40 HD22 LEU 40 2.635 -8.043 -0.582 325 HD23 LEU 40 HD23 LEU 40 3.898 -7.089 0.267 326 H PHE 41 H PHE 41 1.824 -10.758 2.150 327 HA PHE 41 HA PHE 41 -0.107 -9.422 0.568 328 HB2 PHE 41 HB2 PHE 41 -0.435 -11.832 2.374 329 HB3 PHE 41 HB3 PHE 41 -1.545 -11.324 1.109 330 HD1 PHE 41 HD1 PHE 41 -0.937 -11.569 -1.283 331 HD2 PHE 41 HD2 PHE 41 1.845 -12.560 1.821 332 HE1 PHE 41 HE1 PHE 41 0.520 -12.673 -2.951 333 HE2 PHE 41 HE2 PHE 41 3.345 -13.650 0.146 334 HZ PHE 41 HZ PHE 41 2.678 -13.700 -2.247 335 H TRP 42 H TRP 42 0.262 -9.868 4.103 336 HA TRP 42 HA TRP 42 -2.113 -8.497 4.838 337 HB2 TRP 42 HB2 TRP 42 0.521 -9.048 6.216 338 HB3 TRP 42 HB3 TRP 42 -0.700 -8.076 6.996 339 HD1 TRP 42 HD1 TRP 42 0.292 -11.570 6.673 340 HE1 TRP 42 HE1 TRP 42 -1.538 -13.212 7.340 341 HE3 TRP 42 HE3 TRP 42 -3.665 -8.321 6.722 342 HZ2 TRP 42 HZ2 TRP 42 -4.440 -13.148 7.666 343 HZ3 TRP 42 HZ3 TRP 42 -5.963 -9.154 7.102 344 HH2 TRP 42 HH2 TRP 42 -6.375 -11.560 7.562 345 H GLU 43 H GLU 43 1.118 -7.101 3.902 346 HA GLU 43 HA GLU 43 0.388 -4.459 4.770 347 HB2 GLU 43 HB2 GLU 43 2.539 -5.644 2.980 348 HB3 GLU 43 HB3 GLU 43 2.289 -3.909 3.025 349 HG2 GLU 43 HG2 GLU 43 2.681 -5.534 5.565 350 HG3 GLU 43 HG3 GLU 43 4.034 -4.926 4.631 351 H VAL 44 H VAL 44 -0.000 -6.231 1.594 352 HA VAL 44 HA VAL 44 -0.869 -3.824 0.317 353 HB VAL 44 HB VAL 44 -1.616 -5.352 -1.451 354 HG11 VAL 44 HG11 VAL 44 0.706 -4.323 -1.241 355 HG12 VAL 44 HG12 VAL 44 1.244 -5.827 -0.460 356 HG13 VAL 44 HG13 VAL 44 0.703 -5.850 -2.141 357 HG21 VAL 44 HG21 VAL 44 -0.883 -7.646 -1.512 358 HG22 VAL 44 HG22 VAL 44 -0.246 -7.488 0.121 359 HG23 VAL 44 HG23 VAL 44 -2.016 -7.434 -0.179 360 H MET 45 H MET 45 -2.639 -6.636 1.668 361 HA MET 45 HA MET 45 -5.243 -5.691 1.323 362 HB2 MET 45 HB2 MET 45 -3.842 -7.445 3.331 363 HB3 MET 45 HB3 MET 45 -5.362 -6.733 3.854 364 HG2 MET 45 HG2 MET 45 -5.817 -8.878 2.791 365 HG3 MET 45 HG3 MET 45 -6.509 -7.510 1.918 366 HE1 MET 45 HE1 MET 45 -6.837 -9.848 0.301 367 HE2 MET 45 HE2 MET 45 -6.920 -8.229 -0.439 368 HE3 MET 45 HE3 MET 45 -5.993 -9.525 -1.235 369 H ASP 46 H ASP 46 -2.923 -4.847 3.940 370 HA ASP 46 HA ASP 46 -4.636 -3.072 5.314 371 HB2 ASP 46 HB2 ASP 46 -2.533 -3.834 6.261 372 HB3 ASP 46 HB3 ASP 46 -1.610 -2.962 5.051 373 H GLU 47 H GLU 47 -2.516 -2.487 2.490 374 HA GLU 47 HA GLU 47 -2.854 0.308 2.328 375 HB2 GLU 47 HB2 GLU 47 -1.757 -1.911 0.715 376 HB3 GLU 47 HB3 GLU 47 -2.486 -0.688 -0.276 377 HG2 GLU 47 HG2 GLU 47 -0.342 -0.244 1.841 378 HG3 GLU 47 HG3 GLU 47 -0.061 -0.400 0.115 379 H VAL 48 H VAL 48 -5.192 -2.164 1.834 380 HA VAL 48 HA VAL 48 -7.026 -0.209 0.532 381 HB VAL 48 HB VAL 48 -8.018 -1.979 -0.780 382 HG11 VAL 48 HG11 VAL 48 -6.252 -2.163 -2.482 383 HG12 VAL 48 HG12 VAL 48 -6.216 -0.553 -1.721 384 HG13 VAL 48 HG13 VAL 48 -5.019 -1.779 -1.254 385 HG21 VAL 48 HG21 VAL 48 -7.156 -4.174 -1.069 386 HG22 VAL 48 HG22 VAL 48 -5.658 -3.808 -0.209 387 HG23 VAL 48 HG23 VAL 48 -7.168 -3.934 0.687 388 H HIS 49 H HIS 49 -6.461 -1.501 3.328 389 HA HIS 49 HA HIS 49 -8.562 -3.181 3.843 390 HB2 HIS 49 HB2 HIS 49 -6.468 -2.020 5.337 391 HB3 HIS 49 HB3 HIS 49 -7.903 -1.665 6.232 392 HD1 HIS 49 HD1 HIS 49 -7.585 -3.497 8.164 393 HD2 HIS 49 HD2 HIS 49 -7.302 -4.953 4.223 394 HE1 HIS 49 HE1 HIS 49 -7.446 -6.030 8.345 395 H GLU 50 H GLU 50 -8.764 0.289 3.631 396 HA GLU 50 HA GLU 50 -11.299 0.662 4.844 397 HB2 GLU 50 HB2 GLU 50 -11.434 2.671 3.484 398 HB3 GLU 50 HB3 GLU 50 -9.883 2.538 4.330 399 HG2 GLU 50 HG2 GLU 50 -8.811 1.779 2.227 400 HG3 GLU 50 HG3 GLU 50 -10.384 1.795 1.437 401 H GLU 51 H GLU 51 -10.480 -0.797 1.752 402 HA GLU 51 HA GLU 51 -13.328 -0.858 0.900 403 HB2 GLU 51 HB2 GLU 51 -10.765 -1.916 -0.317 404 HB3 GLU 51 HB3 GLU 51 -12.369 -2.178 -1.010 405 HG2 GLU 51 HG2 GLU 51 -12.719 0.199 -1.316 406 HG3 GLU 51 HG3 GLU 51 -11.214 0.580 -0.487 407 H GLU 52 H GLU 52 -10.618 -2.979 1.942 408 HA GLU 52 HA GLU 52 -11.975 -5.432 1.551 409 HB2 GLU 52 HB2 GLU 52 -9.603 -4.748 3.254 410 HB3 GLU 52 HB3 GLU 52 -10.151 -6.369 3.043 411 HG2 GLU 52 HG2 GLU 52 -9.309 -4.505 0.792 412 HG3 GLU 52 HG3 GLU 52 -8.332 -5.795 1.492 413 H GLU 53 H GLU 53 -12.068 -3.242 4.406 414 HA GLU 53 HA GLU 53 -13.182 -5.146 6.172 415 HB2 GLU 53 HB2 GLU 53 -13.882 -3.309 7.520 416 HB3 GLU 53 HB3 GLU 53 -12.293 -2.942 6.859 417 HG2 GLU 53 HG2 GLU 53 -13.355 -1.473 5.149 418 HG3 GLU 53 HG3 GLU 53 -14.945 -1.863 5.804 419 H PHE 54 H PHE 54 -14.540 -4.009 3.272 420 HA PHE 54 HA PHE 54 -17.256 -4.971 4.066 421 HB2 PHE 54 HB2 PHE 54 -16.542 -3.126 1.762 422 HB3 PHE 54 HB3 PHE 54 -18.149 -3.573 2.299 423 HD1 PHE 54 HD1 PHE 54 -18.788 -2.913 4.787 424 HD2 PHE 54 HD2 PHE 54 -15.609 -1.096 2.505 425 HE1 PHE 54 HE1 PHE 54 -18.885 -0.900 6.247 426 HE2 PHE 54 HE2 PHE 54 -15.713 0.911 3.959 427 HZ PHE 54 HZ PHE 54 -17.348 1.014 5.836 428 H ALA 55 H ALA 55 -14.462 -5.993 2.538 429 HA ALA 55 HA ALA 55 -15.917 -7.626 0.529 430 HB1 ALA 55 HB1 ALA 55 -14.468 -6.867 -1.259 431 HB2 ALA 55 HB2 ALA 55 -15.241 -5.456 -0.525 432 HB3 ALA 55 HB3 ALA 55 -13.544 -5.830 -0.147 433 H VAL 56 H VAL 56 -13.707 -7.840 3.019 434 HA VAL 56 HA VAL 56 -12.093 -9.878 1.724 435 HB VAL 56 HB VAL 56 -11.185 -8.336 3.349 436 HG11 VAL 56 HG11 VAL 56 -11.437 -8.473 5.674 437 HG12 VAL 56 HG12 VAL 56 -13.085 -8.376 5.026 438 HG13 VAL 56 HG13 VAL 56 -12.444 -9.928 5.586 439 HG21 VAL 56 HG21 VAL 56 -10.912 -11.268 4.045 440 HG22 VAL 56 HG22 VAL 56 -10.089 -10.407 2.727 441 HG23 VAL 56 HG23 VAL 56 -9.733 -9.982 4.415 442 H GLU 57 H GLU 57 -14.311 -10.708 0.982 443 HA GLU 57 HA GLU 57 -15.929 -12.066 2.959 444 HB2 GLU 57 HB2 GLU 57 -16.153 -12.012 -0.074 445 HB3 GLU 57 HB3 GLU 57 -17.416 -12.473 1.074 446 HG2 GLU 57 HG2 GLU 57 -16.748 -9.913 1.952 447 HG3 GLU 57 HG3 GLU 57 -16.502 -9.787 0.221 448 H GLY 58 H GLY 58 -13.073 -13.154 2.107 449 HA2 GLY 58 HA2 GLY 58 -13.640 -15.955 2.349 450 HA3 GLY 58 HA3 GLY 58 -13.220 -15.536 0.680 451 HA PRO 59 HA PRO 59 -9.384 -16.084 3.390 452 HB2 PRO 59 HB2 PRO 59 -8.315 -18.323 2.292 453 HB3 PRO 59 HB3 PRO 59 -9.630 -18.386 3.508 454 HG2 PRO 59 HG2 PRO 59 -9.888 -18.467 0.484 455 HG3 PRO 59 HG3 PRO 59 -10.583 -19.592 1.689 456 HD2 PRO 59 HD2 PRO 59 -12.052 -17.566 0.680 457 HD3 PRO 59 HD3 PRO 59 -12.185 -18.041 2.405 458 H LEU 60 H LEU 60 -7.070 -16.098 2.577 459 HA LEU 60 HA LEU 60 -6.764 -14.437 0.184 460 HB2 LEU 60 HB2 LEU 60 -4.741 -15.766 2.037 461 HB3 LEU 60 HB3 LEU 60 -4.287 -14.813 0.629 462 HG LEU 60 HG LEU 60 -5.830 -13.734 3.025 463 HD11 LEU 60 HD11 LEU 60 -3.728 -12.548 3.550 464 HD12 LEU 60 HD12 LEU 60 -3.494 -14.301 3.570 465 HD13 LEU 60 HD13 LEU 60 -2.919 -13.351 2.183 466 HD21 LEU 60 HD21 LEU 60 -4.678 -12.306 0.576 467 HD22 LEU 60 HD22 LEU 60 -6.399 -12.443 1.017 468 HD23 LEU 60 HD23 LEU 60 -5.309 -11.501 2.032 469 H TRP 61 H TRP 61 -5.841 -15.020 -1.706 470 HA TRP 61 HA TRP 61 -4.952 -17.755 -2.371 471 HB2 TRP 61 HB2 TRP 61 -7.062 -16.064 -3.713 472 HB3 TRP 61 HB3 TRP 61 -6.296 -17.368 -4.558 473 HD1 TRP 61 HD1 TRP 61 -8.973 -16.472 -2.110 474 HE1 TRP 61 HE1 TRP 61 -10.566 -18.476 -1.730 475 HE3 TRP 61 HE3 TRP 61 -6.278 -20.023 -4.508 476 HZ2 TRP 61 HZ2 TRP 61 -10.624 -21.305 -2.427 477 HZ3 TRP 61 HZ3 TRP 61 -7.095 -22.378 -4.672 478 HH2 TRP 61 HH2 TRP 61 -9.270 -23.019 -3.633 479 H ILE 62 H ILE 62 -3.204 -17.435 -4.027 480 HA ILE 62 HA ILE 62 -2.920 -14.698 -5.040 481 HB ILE 62 HB ILE 62 -1.289 -13.976 -3.806 482 HG12 ILE 62 HG12 ILE 62 0.670 -15.515 -2.895 483 HG13 ILE 62 HG13 ILE 62 0.099 -16.650 -4.099 484 HG21 ILE 62 HG21 ILE 62 -1.713 -16.243 -1.871 485 HG22 ILE 62 HG22 ILE 62 -0.910 -14.686 -1.569 486 HG23 ILE 62 HG23 ILE 62 -2.619 -14.698 -1.938 487 HD11 ILE 62 HD11 ILE 62 0.260 -13.950 -5.233 488 HD12 ILE 62 HD12 ILE 62 1.782 -14.375 -4.424 489 HD13 ILE 62 HD13 ILE 62 1.157 -15.430 -5.702 490 H GLN 63 H GLN 63 -1.474 -14.436 -6.759 491 HA GLN 63 HA GLN 63 -0.163 -16.818 -7.926 492 HB2 GLN 63 HB2 GLN 63 -2.326 -16.708 -9.068 493 HB3 GLN 63 HB3 GLN 63 -2.142 -14.986 -9.376 494 HG2 GLN 63 HG2 GLN 63 -0.273 -15.403 -10.901 495 HG3 GLN 63 HG3 GLN 63 -0.339 -17.140 -10.558 496 HE21 GLN 63 HE22 GLN 63 -0.901 -15.255 -13.062 497 HE22 GLN 63 HE21 GLN 63 -2.388 -15.914 -13.693 498 H VAL 64 H VAL 64 1.802 -16.082 -9.158 499 HA VAL 64 HA VAL 64 2.385 -13.180 -8.942 500 HB VAL 64 HB VAL 64 3.071 -14.260 -6.844 501 HG11 VAL 64 HG11 VAL 64 5.037 -15.702 -6.740 502 HG12 VAL 64 HG12 VAL 64 3.772 -16.493 -7.683 503 HG13 VAL 64 HG13 VAL 64 5.157 -15.741 -8.508 504 HG21 VAL 64 HG21 VAL 64 5.233 -13.211 -6.734 505 HG22 VAL 64 HG22 VAL 64 5.407 -13.191 -8.475 506 HG23 VAL 64 HG23 VAL 64 4.148 -12.207 -7.673 507 H GLN 65 H GLN 65 4.257 -12.525 -10.344 508 HA GLN 65 HA GLN 65 5.647 -14.692 -11.681 509 HB2 GLN 65 HB2 GLN 65 5.660 -13.395 -13.824 510 HB3 GLN 65 HB3 GLN 65 4.161 -14.252 -13.505 511 HG2 GLN 65 HG2 GLN 65 4.391 -11.325 -12.731 512 HG3 GLN 65 HG3 GLN 65 4.208 -11.756 -14.415 513 HE21 GLN 65 HE22 GLN 65 2.478 -11.464 -11.380 514 HE22 GLN 65 HE21 GLN 65 0.930 -11.895 -12.098 515 H ALA 66 H ALA 66 7.768 -13.949 -12.277 516 HA ALA 66 HA ALA 66 8.594 -11.509 -10.780 517 HB1 ALA 66 HB1 ALA 66 10.798 -12.516 -10.629 518 HB2 ALA 66 HB2 ALA 66 9.590 -13.633 -9.970 519 HB3 ALA 66 HB3 ALA 66 10.265 -13.916 -11.592 520 H LEU 67 H LEU 67 9.758 -9.978 -11.786 521 HA LEU 67 HA LEU 67 9.941 -9.950 -14.750 522 HB2 LEU 67 HB2 LEU 67 9.056 -7.770 -12.794 523 HB3 LEU 67 HB3 LEU 67 9.277 -7.544 -14.505 524 HG LEU 67 HG LEU 67 7.524 -9.663 -14.567 525 HD11 LEU 67 HD11 LEU 67 5.720 -9.205 -12.990 526 HD12 LEU 67 HD12 LEU 67 7.190 -9.781 -12.213 527 HD13 LEU 67 HD13 LEU 67 6.778 -8.048 -12.145 528 HD21 LEU 67 HD21 LEU 67 7.259 -7.512 -15.792 529 HD22 LEU 67 HD22 LEU 67 5.750 -8.013 -15.002 530 HD23 LEU 67 HD23 LEU 67 6.745 -6.733 -14.271 531 H ASP 68 H ASP 68 11.319 -7.635 -15.103 532 HA ASP 68 HA ASP 68 13.881 -8.621 -14.783 533 HB2 ASP 68 HB2 ASP 68 13.126 -7.022 -16.518 534 HB3 ASP 68 HB3 ASP 68 13.130 -5.730 -15.313 535 H LYS 69 H LYS 69 12.339 -6.167 -12.681 536 HA LYS 69 HA LYS 69 14.536 -6.541 -10.725 537 HB2 LYS 69 HB2 LYS 69 13.534 -3.869 -11.696 538 HB3 LYS 69 HB3 LYS 69 14.574 -4.070 -10.298 539 HG2 LYS 69 HG2 LYS 69 15.350 -4.840 -13.133 540 HG3 LYS 69 HG3 LYS 69 15.762 -3.343 -12.331 541 HD2 LYS 69 HD2 LYS 69 16.991 -4.612 -10.565 542 HD3 LYS 69 HD3 LYS 69 16.645 -6.118 -11.424 543 HE2 LYS 69 HE2 LYS 69 17.793 -5.252 -13.446 544 HE3 LYS 69 HE3 LYS 69 18.161 -3.747 -12.601 545 HZ1 LYS 69 HZ1 LYS 69 19.172 -6.428 -11.821 546 HZ2 LYS 69 HZ2 LYS 69 20.040 -5.262 -12.557 547 HZ3 LYS 69 HZ3 LYS 69 19.508 -5.028 -11.029 548 H GLY 70 H GLY 70 11.725 -7.527 -10.851 549 HA2 GLY 70 HA2 GLY 70 10.814 -6.881 -8.215 550 HA3 GLY 70 HA3 GLY 70 9.931 -5.930 -9.402 551 H LEU 71 H LEU 71 8.190 -7.315 -8.333 552 HA LEU 71 HA LEU 71 7.604 -9.613 -10.157 553 HB2 LEU 71 HB2 LEU 71 7.067 -9.595 -7.170 554 HB3 LEU 71 HB3 LEU 71 6.562 -10.820 -8.312 555 HG LEU 71 HG LEU 71 9.356 -10.684 -8.692 556 HD11 LEU 71 HD11 LEU 71 8.688 -10.565 -5.720 557 HD12 LEU 71 HD12 LEU 71 10.292 -10.885 -6.425 558 HD13 LEU 71 HD13 LEU 71 9.518 -9.299 -6.647 559 HD21 LEU 71 HD21 LEU 71 9.404 -12.896 -7.712 560 HD22 LEU 71 HD22 LEU 71 7.805 -12.642 -6.996 561 HD23 LEU 71 HD23 LEU 71 7.962 -12.708 -8.734 562 H GLU 72 H GLU 72 5.461 -9.751 -10.699 563 HA GLU 72 HA GLU 72 3.575 -7.734 -9.549 564 HB2 GLU 72 HB2 GLU 72 3.311 -9.386 -12.089 565 HB3 GLU 72 HB3 GLU 72 1.928 -8.716 -11.258 566 HG2 GLU 72 HG2 GLU 72 2.816 -6.418 -11.507 567 HG3 GLU 72 HG3 GLU 72 4.139 -7.058 -12.479 568 H ILE 73 H ILE 73 2.139 -8.465 -8.152 569 HA ILE 73 HA ILE 73 1.806 -11.377 -7.745 570 HB ILE 73 HB ILE 73 1.617 -9.128 -5.735 571 HG12 ILE 73 HG12 ILE 73 3.481 -10.012 -4.462 572 HG13 ILE 73 HG13 ILE 73 3.842 -11.216 -5.633 573 HG21 ILE 73 HG21 ILE 73 1.616 -12.125 -5.197 574 HG22 ILE 73 HG22 ILE 73 1.366 -10.838 -4.004 575 HG23 ILE 73 HG23 ILE 73 0.151 -11.127 -5.238 576 HD11 ILE 73 HD11 ILE 73 4.683 -9.573 -7.165 577 HD12 ILE 73 HD12 ILE 73 3.964 -8.228 -6.241 578 HD13 ILE 73 HD13 ILE 73 5.320 -9.154 -5.569 579 H ILE 74 H ILE 74 -0.315 -11.984 -7.990 580 HA ILE 74 HA ILE 74 -2.535 -9.970 -7.992 581 HB ILE 74 HB ILE 74 -2.203 -12.674 -9.368 582 HG12 ILE 74 HG12 ILE 74 -2.914 -11.520 -11.409 583 HG13 ILE 74 HG13 ILE 74 -3.046 -9.988 -10.556 584 HG21 ILE 74 HG21 ILE 74 -4.423 -12.707 -8.397 585 HG22 ILE 74 HG22 ILE 74 -4.777 -11.071 -9.010 586 HG23 ILE 74 HG23 ILE 74 -4.582 -12.441 -10.127 587 HD11 ILE 74 HD11 ILE 74 -1.006 -10.302 -12.012 588 HD12 ILE 74 HD12 ILE 74 -0.631 -9.841 -10.354 589 HD13 ILE 74 HD13 ILE 74 -0.451 -11.547 -10.856 590 H VAL 75 H VAL 75 -4.242 -10.433 -6.514 591 HA VAL 75 HA VAL 75 -3.944 -12.773 -4.788 592 HB VAL 75 HB VAL 75 -4.652 -10.289 -3.313 593 HG11 VAL 75 HG11 VAL 75 -3.242 -11.318 -1.588 594 HG12 VAL 75 HG12 VAL 75 -4.354 -12.516 -2.250 595 HG13 VAL 75 HG13 VAL 75 -2.646 -12.516 -2.773 596 HG21 VAL 75 HG21 VAL 75 -1.739 -10.684 -4.092 597 HG22 VAL 75 HG22 VAL 75 -2.754 -9.324 -4.624 598 HG23 VAL 75 HG23 VAL 75 -2.385 -9.513 -2.911 599 H THR 76 H THR 76 -5.970 -13.619 -4.203 600 HA THR 76 HA THR 76 -8.325 -12.242 -5.398 601 HB THR 76 HB THR 76 -8.859 -14.057 -6.700 602 HG1 THR 76 HG1 THR 76 -8.066 -16.080 -6.615 603 HG21 THR 76 HG21 THR 76 -6.948 -14.578 -8.144 604 HG22 THR 76 HG22 THR 76 -6.689 -12.927 -7.564 605 HG23 THR 76 HG23 THR 76 -5.796 -14.286 -6.828 606 H LYS 77 H LYS 77 -10.340 -13.759 -4.929 607 HA LYS 77 HA LYS 77 -10.274 -15.032 -2.295 608 HB2 LYS 77 HB2 LYS 77 -11.964 -12.605 -2.917 609 HB3 LYS 77 HB3 LYS 77 -12.511 -13.823 -1.776 610 HG2 LYS 77 HG2 LYS 77 -11.362 -12.844 -0.157 611 HG3 LYS 77 HG3 LYS 77 -9.902 -13.419 -0.895 612 HD2 LYS 77 HD2 LYS 77 -9.654 -11.071 -0.438 613 HD3 LYS 77 HD3 LYS 77 -9.674 -11.343 -2.192 614 HE2 LYS 77 HE2 LYS 77 -12.107 -10.714 -2.222 615 HE3 LYS 77 HE3 LYS 77 -12.063 -10.458 -0.484 616 HZ1 LYS 77 HZ1 LYS 77 -11.877 -8.403 -1.842 617 HZ2 LYS 77 HZ2 LYS 77 -10.672 -8.574 -0.755 618 HZ3 LYS 77 HZ3 LYS 77 -10.384 -8.881 -2.348 619 H ALA 78 H ALA 78 -12.489 -16.077 -1.951 620 HA ALA 78 HA ALA 78 -13.124 -17.833 -4.118 621 HB1 ALA 78 HB1 ALA 78 -13.353 -18.393 -1.693 622 HB2 ALA 78 HB2 ALA 78 -14.677 -17.209 -1.554 623 HB3 ALA 78 HB3 ALA 78 -14.865 -18.650 -2.570 624 H GLN 79 H GLN 79 -15.647 -18.112 -4.556 625 HA GLN 79 HA GLN 79 -17.247 -17.513 -5.975 626 HB2 GLN 79 HB2 GLN 79 -17.914 -16.215 -3.884 627 HB3 GLN 79 HB3 GLN 79 -17.305 -14.771 -4.684 628 HG2 GLN 79 HG2 GLN 79 -18.935 -15.177 -6.564 629 HG3 GLN 79 HG3 GLN 79 -19.524 -16.606 -5.705 630 HE21 GLN 79 HE21 GLN 79 -19.320 -13.017 -5.577 631 HE22 GLN 79 HE22 GLN 79 -20.617 -12.821 -4.424 632 H LEU 80 H LEU 80 -14.821 -17.565 -7.019 633 HA LEU 80 HA LEU 80 -14.909 -15.621 -9.221 634 HB2 LEU 80 HB2 LEU 80 -13.313 -14.814 -7.351 635 HB3 LEU 80 HB3 LEU 80 -12.356 -16.255 -7.674 636 HG LEU 80 HG LEU 80 -12.092 -15.404 -10.089 637 HD11 LEU 80 HD11 LEU 80 -13.287 -12.866 -8.884 638 HD12 LEU 80 HD12 LEU 80 -12.491 -12.992 -10.468 639 HD13 LEU 80 HD13 LEU 80 -14.011 -13.840 -10.179 640 HD21 LEU 80 HD21 LEU 80 -10.342 -15.161 -8.388 641 HD22 LEU 80 HD22 LEU 80 -10.375 -13.767 -9.470 642 HD23 LEU 80 HD23 LEU 80 -11.068 -13.636 -7.832 643 H SER 81 H SER 81 -15.900 -18.179 -9.093 644 HA SER 81 HA SER 81 -13.714 -20.099 -9.712 645 HB2 SER 81 HB2 SER 81 -16.083 -20.534 -7.871 646 HB3 SER 81 HB3 SER 81 -14.579 -21.459 -7.965 647 HG SER 81 HG SER 81 -14.449 -20.116 -6.180 648 H LYS 82 H LYS 82 -15.901 -18.895 -11.547 649 HA LYS 82 HA LYS 82 -17.795 -20.903 -12.220 650 HB2 LYS 82 HB2 LYS 82 -17.790 -18.535 -13.011 651 HB3 LYS 82 HB3 LYS 82 -16.411 -18.901 -14.063 652 HG2 LYS 82 HG2 LYS 82 -17.784 -20.523 -15.323 653 HG3 LYS 82 HG3 LYS 82 -19.143 -20.258 -14.214 654 HD2 LYS 82 HD2 LYS 82 -19.250 -17.880 -14.912 655 HD3 LYS 82 HD3 LYS 82 -17.889 -18.147 -16.026 656 HE2 LYS 82 HE2 LYS 82 -19.227 -19.863 -17.239 657 HE3 LYS 82 HE3 LYS 82 -20.582 -19.601 -16.130 658 HZ1 LYS 82 HZ1 LYS 82 -20.864 -18.371 -18.194 659 HZ2 LYS 82 HZ2 LYS 82 -20.730 -17.316 -16.958 660 HZ3 LYS 82 HZ3 LYS 82 -19.468 -17.555 -17.973 661 H ASP 83 H ASP 83 -14.375 -20.518 -13.069 662 HA ASP 83 HA ASP 83 -14.243 -23.407 -13.567 663 HB2 ASP 83 HB2 ASP 83 -14.234 -22.592 -15.842 664 HB3 ASP 83 HB3 ASP 83 -13.113 -21.293 -15.434 665 H LEU 84 H LEU 84 -12.700 -24.128 -12.221 666 HA LEU 84 HA LEU 84 -10.793 -22.196 -10.968 667 HB2 LEU 84 HB2 LEU 84 -12.900 -22.611 -9.613 668 HB3 LEU 84 HB3 LEU 84 -12.450 -24.311 -9.537 669 HG LEU 84 HG LEU 84 -10.293 -23.618 -8.374 670 HD11 LEU 84 HD11 LEU 84 -10.155 -21.256 -9.085 671 HD12 LEU 84 HD12 LEU 84 -11.686 -20.899 -8.253 672 HD13 LEU 84 HD13 LEU 84 -10.244 -21.358 -7.325 673 HD21 LEU 84 HD21 LEU 84 -12.238 -24.458 -7.127 674 HD22 LEU 84 HD22 LEU 84 -11.370 -23.225 -6.201 675 HD23 LEU 84 HD23 LEU 84 -12.897 -22.815 -7.015 676 H ASP 85 H ASP 85 -11.548 -25.532 -11.980 677 HA ASP 85 HA ASP 85 -9.002 -26.716 -11.367 678 HB2 ASP 85 HB2 ASP 85 -11.088 -27.928 -12.066 679 HB3 ASP 85 HB3 ASP 85 -10.903 -27.262 -13.682 680 H LYS 86 H LYS 86 -10.092 -24.397 -13.726 681 HA LYS 86 HA LYS 86 -9.373 -23.488 -15.543 682 HB2 LYS 86 HB2 LYS 86 -6.545 -23.954 -14.639 683 HB3 LYS 86 HB3 LYS 86 -7.126 -22.856 -15.892 684 HG2 LYS 86 HG2 LYS 86 -7.599 -22.678 -12.898 685 HG3 LYS 86 HG3 LYS 86 -6.692 -21.596 -13.954 686 HD2 LYS 86 HD2 LYS 86 -8.811 -20.926 -15.091 687 HD3 LYS 86 HD3 LYS 86 -9.720 -21.929 -13.935 688 HE2 LYS 86 HE2 LYS 86 -8.737 -20.639 -12.047 689 HE3 LYS 86 HE3 LYS 86 -7.849 -19.645 -13.209 690 HZ1 LYS 86 HZ1 LYS 86 -10.819 -19.809 -12.988 691 HZ2 LYS 86 HZ2 LYS 86 -9.894 -18.556 -12.469 692 HZ3 LYS 86 HZ3 LYS 86 -9.998 -18.861 -14.070 693 H LEU 87 H LEU 87 -10.507 -25.568 -16.001 694 HA LEU 87 HA LEU 87 -9.230 -27.780 -17.209 695 HB2 LEU 87 HB2 LEU 87 -11.248 -28.454 -18.077 696 HB3 LEU 87 HB3 LEU 87 -11.294 -28.020 -16.390 697 HG LEU 87 HG LEU 87 -12.046 -25.600 -17.562 698 HD11 LEU 87 HD11 LEU 87 -13.623 -26.108 -19.360 699 HD12 LEU 87 HD12 LEU 87 -11.991 -26.646 -19.805 700 HD13 LEU 87 HD13 LEU 87 -13.197 -27.837 -19.281 701 HD21 LEU 87 HD21 LEU 87 -12.969 -26.787 -15.695 702 HD22 LEU 87 HD22 LEU 87 -14.285 -26.293 -16.801 703 HD23 LEU 87 HD23 LEU 87 -13.707 -27.996 -16.759 704 H VAL 88 H VAL 88 -9.275 -28.365 -19.526 705 HA VAL 88 HA VAL 88 -9.325 -26.155 -21.473 706 HB VAL 88 HB VAL 88 -7.242 -26.918 -22.512 707 HG11 VAL 88 HG11 VAL 88 -5.649 -25.939 -20.988 708 HG12 VAL 88 HG12 VAL 88 -7.170 -25.040 -20.894 709 HG13 VAL 88 HG13 VAL 88 -6.731 -26.187 -19.607 710 HG21 VAL 88 HG21 VAL 88 -6.847 -28.705 -20.089 711 HG22 VAL 88 HG22 VAL 88 -7.193 -29.235 -21.751 712 HG23 VAL 88 HG23 VAL 88 -5.676 -28.404 -21.391 713 HA PRO 89 HA PRO 89 -11.517 -29.043 -24.004 714 HB2 PRO 89 HB2 PRO 89 -9.520 -28.480 -26.197 715 HB3 PRO 89 HB3 PRO 89 -11.313 -28.444 -26.254 716 HG2 PRO 89 HG2 PRO 89 -9.893 -26.145 -26.121 717 HG3 PRO 89 HG3 PRO 89 -11.407 -26.346 -25.186 718 HD2 PRO 89 HD2 PRO 89 -8.577 -26.541 -24.199 719 HD3 PRO 89 HD3 PRO 89 -10.009 -25.839 -23.419 720 H ARG 90 H ARG 90 -11.398 -31.116 -25.081 721 HA ARG 90 HA ARG 90 -8.878 -32.636 -25.025 722 HB2 ARG 90 HB2 ARG 90 -11.323 -33.395 -23.451 723 HB3 ARG 90 HB3 ARG 90 -10.112 -34.550 -24.027 724 HG2 ARG 90 HG2 ARG 90 -8.314 -33.184 -22.849 725 HG3 ARG 90 HG3 ARG 90 -9.613 -32.186 -22.160 726 HD2 ARG 90 HD2 ARG 90 -9.225 -33.794 -20.488 727 HD3 ARG 90 HD3 ARG 90 -10.659 -34.327 -21.387 728 HE ARG 90 HE ARG 90 -9.576 -36.192 -22.124 729 HH11 ARG 90 HH11 ARG 90 -7.114 -34.056 -20.671 730 HH12 ARG 90 HH12 ARG 90 -5.864 -35.244 -20.727 731 HH21 ARG 90 HH21 ARG 90 -7.904 -37.754 -22.197 732 HH22 ARG 90 HH22 ARG 90 -6.323 -37.390 -21.605 Start of MODEL 10 1 H1 MET 1 H1 MET 1 7.043 0.248 -5.186 2 H2 MET 1 H2 MET 1 6.156 0.835 -6.459 3 H3 MET 1 H3 MET 1 5.870 1.375 -4.939 4 HA MET 1 HA MET 1 5.363 -1.326 -5.983 5 HB2 MET 1 HB2 MET 1 6.094 -1.498 -3.677 6 HB3 MET 1 HB3 MET 1 4.948 -0.266 -3.163 7 HG2 MET 1 HG2 MET 1 3.086 -1.826 -3.779 8 HG3 MET 1 HG3 MET 1 4.291 -3.002 -4.332 9 HE1 MET 1 HE1 MET 1 3.237 -4.924 -1.227 10 HE2 MET 1 HE2 MET 1 2.378 -4.236 -2.628 11 HE3 MET 1 HE3 MET 1 3.943 -5.051 -2.850 12 H GLU 2 H GLU 2 3.261 -1.757 -6.567 13 HA GLU 2 HA GLU 2 1.809 0.717 -7.396 14 HB2 GLU 2 HB2 GLU 2 3.683 -1.168 -8.729 15 HB3 GLU 2 HB3 GLU 2 2.226 -0.969 -9.632 16 HG2 GLU 2 HG2 GLU 2 3.833 0.576 -10.444 17 HG3 GLU 2 HG3 GLU 2 2.529 1.470 -9.675 18 H ILE 3 H ILE 3 0.083 0.014 -5.937 19 HA ILE 3 HA ILE 3 -1.130 -2.601 -6.085 20 HB ILE 3 HB ILE 3 -2.414 -0.078 -5.050 21 HG12 ILE 3 HG12 ILE 3 -0.308 -0.157 -3.882 22 HG13 ILE 3 HG13 ILE 3 -1.611 -0.665 -2.844 23 HG21 ILE 3 HG21 ILE 3 -2.850 -3.045 -4.458 24 HG22 ILE 3 HG22 ILE 3 -3.525 -1.727 -3.472 25 HG23 ILE 3 HG23 ILE 3 -4.003 -1.892 -5.156 26 HD11 ILE 3 HD11 ILE 3 0.474 -2.482 -4.061 27 HD12 ILE 3 HD12 ILE 3 0.300 -2.005 -2.359 28 HD13 ILE 3 HD13 ILE 3 -0.922 -3.048 -3.103 29 H GLU 4 H GLU 4 -3.179 -3.170 -7.174 30 HA GLU 4 HA GLU 4 -4.485 -1.134 -8.866 31 HB2 GLU 4 HB2 GLU 4 -2.889 -2.533 -10.230 32 HB3 GLU 4 HB3 GLU 4 -3.710 -3.958 -9.634 33 HG2 GLU 4 HG2 GLU 4 -4.375 -3.357 -11.854 34 HG3 GLU 4 HG3 GLU 4 -5.762 -3.310 -10.793 35 H ARG 5 H ARG 5 -6.699 -1.648 -9.272 36 HA ARG 5 HA ARG 5 -7.995 -3.637 -7.432 37 HB2 ARG 5 HB2 ARG 5 -8.342 -1.215 -6.837 38 HB3 ARG 5 HB3 ARG 5 -9.045 -0.948 -8.413 39 HG2 ARG 5 HG2 ARG 5 -10.853 -1.181 -6.915 40 HG3 ARG 5 HG3 ARG 5 -10.836 -2.657 -7.862 41 HD2 ARG 5 HD2 ARG 5 -11.300 -3.141 -5.503 42 HD3 ARG 5 HD3 ARG 5 -9.763 -3.849 -5.954 43 HE ARG 5 HE ARG 5 -8.616 -2.321 -4.610 44 HH11 ARG 5 HH11 ARG 5 -12.155 -1.594 -4.468 45 HH12 ARG 5 HH12 ARG 5 -11.934 -0.365 -3.264 46 HH21 ARG 5 HH22 ARG 5 -8.434 -0.629 -3.027 47 HH22 ARG 5 HH21 ARG 5 -9.868 0.115 -2.391 48 H ILE 6 H ILE 6 -7.957 -5.336 -9.033 49 HA ILE 6 HA ILE 6 -8.495 -5.010 -11.797 50 HB ILE 6 HB ILE 6 -9.004 -7.387 -9.965 51 HG12 ILE 6 HG12 ILE 6 -6.719 -6.787 -9.661 52 HG13 ILE 6 HG13 ILE 6 -6.816 -8.185 -10.694 53 HG21 ILE 6 HG21 ILE 6 -10.142 -7.759 -12.054 54 HG22 ILE 6 HG22 ILE 6 -8.708 -7.273 -12.988 55 HG23 ILE 6 HG23 ILE 6 -8.691 -8.762 -12.014 56 HD11 ILE 6 HD11 ILE 6 -6.174 -5.336 -11.518 57 HD12 ILE 6 HD12 ILE 6 -5.121 -6.747 -11.594 58 HD13 ILE 6 HD13 ILE 6 -6.502 -6.630 -12.696 59 H ASN 7 H ASN 7 -10.500 -6.018 -9.086 60 HA ASN 7 HA ASN 7 -12.892 -4.694 -9.993 61 HB2 ASN 7 HB2 ASN 7 -14.345 -6.560 -10.145 62 HB3 ASN 7 HB3 ASN 7 -13.009 -6.930 -11.199 63 HD21 ASN 7 HD22 ASN 7 -14.537 -9.049 -10.593 64 HD22 ASN 7 HD21 ASN 7 -13.689 -10.092 -9.459 65 H GLU 8 H GLU 8 -14.607 -5.783 -7.978 66 HA GLU 8 HA GLU 8 -13.286 -4.503 -5.775 67 HB2 GLU 8 HB2 GLU 8 -15.837 -4.558 -6.614 68 HB3 GLU 8 HB3 GLU 8 -15.951 -5.848 -5.420 69 HG2 GLU 8 HG2 GLU 8 -16.528 -3.813 -4.306 70 HG3 GLU 8 HG3 GLU 8 -14.908 -4.227 -3.748 71 H HIS 9 H HIS 9 -12.712 -7.514 -6.691 72 HA HIS 9 HA HIS 9 -12.561 -8.665 -3.916 73 HB2 HIS 9 HB2 HIS 9 -13.226 -10.227 -6.435 74 HB3 HIS 9 HB3 HIS 9 -13.343 -10.750 -4.764 75 HD1 HIS 9 HD1 HIS 9 -15.499 -9.610 -7.470 76 HD2 HIS 9 HD2 HIS 9 -15.304 -9.006 -3.303 77 HE1 HIS 9 HE1 HIS 9 -17.778 -8.734 -6.759 78 H THR 10 H THR 10 -11.315 -9.133 -7.296 79 HA THR 10 HA THR 10 -8.786 -10.171 -6.262 80 HB THR 10 HB THR 10 -9.631 -9.349 -9.071 81 HG1 THR 10 HG1 THR 10 -10.175 -11.491 -9.305 82 HG21 THR 10 HG21 THR 10 -7.746 -10.725 -9.873 83 HG22 THR 10 HG22 THR 10 -7.129 -9.443 -8.825 84 HG23 THR 10 HG23 THR 10 -7.271 -11.080 -8.204 85 H VAL 11 H VAL 11 -6.935 -9.033 -6.068 86 HA VAL 11 HA VAL 11 -6.769 -6.278 -7.135 87 HB VAL 11 HB VAL 11 -5.373 -5.632 -5.184 88 HG11 VAL 11 HG11 VAL 11 -7.735 -4.937 -5.328 89 HG12 VAL 11 HG12 VAL 11 -8.228 -6.384 -4.418 90 HG13 VAL 11 HG13 VAL 11 -7.208 -5.146 -3.650 91 HG21 VAL 11 HG21 VAL 11 -6.460 -8.139 -3.814 92 HG22 VAL 11 HG22 VAL 11 -4.767 -7.858 -4.292 93 HG23 VAL 11 HG23 VAL 11 -5.520 -6.844 -3.056 94 H LYS 12 H LYS 12 -4.457 -5.768 -7.619 95 HA LYS 12 HA LYS 12 -2.664 -8.025 -7.237 96 HB2 LYS 12 HB2 LYS 12 -1.745 -8.164 -9.344 97 HB3 LYS 12 HB3 LYS 12 -3.472 -8.231 -9.656 98 HG2 LYS 12 HG2 LYS 12 -3.455 -5.931 -10.397 99 HG3 LYS 12 HG3 LYS 12 -1.710 -5.802 -10.075 100 HD2 LYS 12 HD2 LYS 12 -1.271 -7.652 -11.674 101 HD3 LYS 12 HD3 LYS 12 -3.007 -7.748 -12.062 102 HE2 LYS 12 HE2 LYS 12 -2.985 -5.428 -12.874 103 HE3 LYS 12 HE3 LYS 12 -1.318 -5.259 -12.270 104 HZ1 LYS 12 HZ1 LYS 12 -2.065 -7.111 -14.467 105 HZ2 LYS 12 HZ2 LYS 12 -1.422 -5.627 -14.698 106 HZ3 LYS 12 HZ3 LYS 12 -0.539 -6.766 -13.927 107 H PHE 13 H PHE 13 -0.362 -7.211 -7.481 108 HA PHE 13 HA PHE 13 -0.135 -4.310 -7.490 109 HB2 PHE 13 HB2 PHE 13 1.163 -4.237 -5.404 110 HB3 PHE 13 HB3 PHE 13 -0.520 -4.671 -5.134 111 HD1 PHE 13 HD1 PHE 13 -1.155 -7.041 -4.559 112 HD2 PHE 13 HD2 PHE 13 2.937 -5.762 -4.882 113 HE1 PHE 13 HE1 PHE 13 -0.426 -8.996 -3.189 114 HE2 PHE 13 HE2 PHE 13 3.656 -7.683 -3.466 115 HZ PHE 13 HZ PHE 13 1.945 -9.251 -2.556 116 H TYR 14 H TYR 14 1.863 -3.693 -8.296 117 HA TYR 14 HA TYR 14 3.795 -5.869 -8.923 118 HB2 TYR 14 HB2 TYR 14 3.244 -4.561 -10.837 119 HB3 TYR 14 HB3 TYR 14 3.384 -3.062 -9.972 120 HD1 TYR 14 HD2 TYR 14 5.287 -6.019 -11.140 121 HD2 TYR 14 HD1 TYR 14 5.486 -1.974 -9.695 122 HE1 TYR 14 HE2 TYR 14 7.666 -6.024 -11.657 123 HE2 TYR 14 HE1 TYR 14 7.976 -1.971 -10.098 124 HH TYR 14 HH TYR 14 9.651 -4.691 -11.758 125 H MET 15 H MET 15 5.712 -5.929 -7.842 126 HA MET 15 HA MET 15 6.207 -3.893 -5.715 127 HB2 MET 15 HB2 MET 15 5.147 -6.086 -4.932 128 HB3 MET 15 HB3 MET 15 6.577 -6.909 -5.535 129 HG2 MET 15 HG2 MET 15 7.964 -5.714 -4.008 130 HG3 MET 15 HG3 MET 15 6.631 -4.698 -3.512 131 HE1 MET 15 HE1 MET 15 7.597 -5.342 -1.073 132 HE2 MET 15 HE2 MET 15 5.855 -5.023 -1.114 133 HE3 MET 15 HE3 MET 15 6.464 -6.405 -0.184 134 H SER 16 H SER 16 8.165 -2.964 -6.144 135 HA SER 16 HA SER 16 10.039 -4.263 -7.983 136 HB2 SER 16 HB2 SER 16 10.546 -1.831 -6.285 137 HB3 SER 16 HB3 SER 16 11.302 -2.253 -7.827 138 HG SER 16 HG SER 16 9.698 -0.622 -8.077 139 H TYR 17 H TYR 17 12.204 -4.989 -7.356 140 HA TYR 17 HA TYR 17 12.358 -6.439 -4.947 141 HB2 TYR 17 HB2 TYR 17 14.658 -5.325 -6.585 142 HB3 TYR 17 HB3 TYR 17 14.784 -6.604 -5.383 143 HD1 TYR 17 HD1 TYR 17 12.189 -8.152 -6.155 144 HD2 TYR 17 HD2 TYR 17 15.425 -6.501 -8.493 145 HE1 TYR 17 HE1 TYR 17 11.837 -9.871 -7.848 146 HE2 TYR 17 HE2 TYR 17 15.035 -8.193 -10.239 147 HH TYR 17 HH TYR 17 13.760 -10.108 -10.873 148 H GLY 18 H GLY 18 13.498 -3.096 -5.558 149 HA2 GLY 18 HA2 GLY 18 14.788 -2.803 -3.054 150 HA3 GLY 18 HA3 GLY 18 14.197 -1.512 -4.074 151 H ASP 19 H ASP 19 11.319 -2.694 -3.863 152 HA ASP 19 HA ASP 19 10.521 -1.252 -1.447 153 HB2 ASP 19 HB2 ASP 19 9.172 -2.578 -3.750 154 HB3 ASP 19 HB3 ASP 19 8.327 -2.757 -2.234 155 H ILE 20 H ILE 20 11.292 -4.573 -2.307 156 HA ILE 20 HA ILE 20 10.135 -5.761 0.109 157 HB ILE 20 HB ILE 20 11.889 -6.808 -2.164 158 HG12 ILE 20 HG12 ILE 20 9.006 -7.486 -1.500 159 HG13 ILE 20 HG13 ILE 20 9.411 -6.104 -2.501 160 HG21 ILE 20 HG21 ILE 20 10.558 -8.459 0.007 161 HG22 ILE 20 HG22 ILE 20 11.491 -9.068 -1.368 162 HG23 ILE 20 HG23 ILE 20 12.309 -8.139 -0.104 163 HD11 ILE 20 HD11 ILE 20 10.523 -7.565 -4.143 164 HD12 ILE 20 HD12 ILE 20 9.975 -8.987 -3.212 165 HD13 ILE 20 HD13 ILE 20 8.791 -7.865 -3.935 166 H GLU 21 H GLU 21 13.374 -4.876 -1.165 167 HA GLU 21 HA GLU 21 14.980 -5.542 1.043 168 HB2 GLU 21 HB2 GLU 21 15.137 -3.270 -0.946 169 HB3 GLU 21 HB3 GLU 21 16.429 -3.617 0.170 170 HG2 GLU 21 HG2 GLU 21 15.416 -5.845 -1.623 171 HG3 GLU 21 HG3 GLU 21 16.383 -4.547 -2.259 172 H ASP 22 H ASP 22 13.112 -2.582 0.361 173 HA ASP 22 HA ASP 22 13.977 -0.959 2.501 174 HB2 ASP 22 HB2 ASP 22 12.619 -0.170 0.591 175 HB3 ASP 22 HB3 ASP 22 11.229 -1.043 1.202 176 H ARG 23 H ARG 23 11.204 -3.134 2.251 177 HA ARG 23 HA ARG 23 10.371 -2.915 5.019 178 HB2 ARG 23 HB2 ARG 23 9.755 -4.915 2.804 179 HB3 ARG 23 HB3 ARG 23 8.973 -4.934 4.402 180 HG2 ARG 23 HG2 ARG 23 7.926 -2.843 4.078 181 HG3 ARG 23 HG3 ARG 23 8.905 -2.471 2.656 182 HD2 ARG 23 HD2 ARG 23 7.827 -4.252 1.361 183 HD3 ARG 23 HD3 ARG 23 6.905 -4.755 2.770 184 HE ARG 23 HE ARG 23 5.433 -2.981 2.473 185 HH11 ARG 23 HH11 ARG 23 8.316 -2.295 0.472 186 HH12 ARG 23 HH12 ARG 23 7.570 -0.960 -0.346 187 HH21 ARG 23 HH21 ARG 23 4.538 -1.260 1.565 188 HH22 ARG 23 HH22 ARG 23 5.339 -0.290 0.337 189 H GLY 24 H GLY 24 13.144 -4.280 3.700 190 HA2 GLY 24 HA2 GLY 24 14.827 -5.385 4.739 191 HA3 GLY 24 HA3 GLY 24 13.839 -5.479 6.197 192 H PHE 25 H PHE 25 12.332 -6.721 3.366 193 HA PHE 25 HA PHE 25 12.887 -9.566 4.129 194 HB2 PHE 25 HB2 PHE 25 10.901 -8.374 2.165 195 HB3 PHE 25 HB3 PHE 25 11.120 -10.098 2.480 196 HD1 PHE 25 HD2 PHE 25 10.018 -6.878 3.933 197 HD2 PHE 25 HD1 PHE 25 9.988 -11.166 4.408 198 HE1 PHE 25 HE2 PHE 25 8.569 -6.651 5.930 199 HE2 PHE 25 HE1 PHE 25 8.598 -10.926 6.400 200 HZ PHE 25 HZ PHE 25 7.880 -8.676 7.196 201 H ASP 26 H ASP 26 12.950 -10.814 1.674 202 HA ASP 26 HA ASP 26 14.815 -9.335 -0.066 203 HB2 ASP 26 HB2 ASP 26 15.928 -11.108 1.723 204 HB3 ASP 26 HB3 ASP 26 15.499 -12.182 0.411 205 H ARG 27 H ARG 27 14.778 -10.219 -2.227 206 HA ARG 27 HA ARG 27 12.072 -10.783 -2.895 207 HB2 ARG 27 HB2 ARG 27 12.831 -10.737 -5.228 208 HB3 ARG 27 HB3 ARG 27 13.672 -9.482 -4.316 209 HG2 ARG 27 HG2 ARG 27 15.653 -11.046 -4.107 210 HG3 ARG 27 HG3 ARG 27 14.800 -12.182 -5.166 211 HD2 ARG 27 HD2 ARG 27 14.803 -10.542 -6.977 212 HD3 ARG 27 HD3 ARG 27 15.573 -9.339 -5.912 213 HE ARG 27 HE ARG 27 17.116 -11.748 -5.964 214 HH11 ARG 27 HH11 ARG 27 16.383 -8.969 -8.048 215 HH12 ARG 27 HH12 ARG 27 17.898 -9.021 -8.891 216 HH21 ARG 27 HH21 ARG 27 19.110 -11.846 -7.101 217 HH22 ARG 27 HH22 ARG 27 19.464 -10.719 -8.356 218 H GLU 28 H GLU 28 14.778 -13.037 -2.537 219 HA GLU 28 HA GLU 28 13.112 -15.283 -3.541 220 HB2 GLU 28 HB2 GLU 28 15.852 -15.216 -2.244 221 HB3 GLU 28 HB3 GLU 28 15.041 -16.657 -2.824 222 HG2 GLU 28 HG2 GLU 28 14.932 -15.620 -5.123 223 HG3 GLU 28 HG3 GLU 28 15.913 -14.292 -4.510 224 H GLU 29 H GLU 29 14.389 -13.958 -0.466 225 HA GLU 29 HA GLU 29 13.695 -16.063 1.213 226 HB2 GLU 29 HB2 GLU 29 13.893 -13.065 1.689 227 HB3 GLU 29 HB3 GLU 29 13.709 -14.175 3.010 228 HG2 GLU 29 HG2 GLU 29 15.987 -14.320 1.006 229 HG3 GLU 29 HG3 GLU 29 16.022 -13.498 2.552 230 H ILE 30 H ILE 30 11.752 -13.362 0.208 231 HA ILE 30 HA ILE 30 9.379 -13.608 1.629 232 HB ILE 30 HB ILE 30 9.905 -13.101 -1.293 233 HG12 ILE 30 HG12 ILE 30 10.540 -11.494 0.665 234 HG13 ILE 30 HG13 ILE 30 9.788 -10.903 -0.790 235 HG21 ILE 30 HG21 ILE 30 7.581 -12.211 -1.517 236 HG22 ILE 30 HG22 ILE 30 7.669 -13.965 -1.379 237 HG23 ILE 30 HG23 ILE 30 7.165 -13.010 0.025 238 HD11 ILE 30 HD11 ILE 30 7.625 -10.665 0.410 239 HD12 ILE 30 HD12 ILE 30 8.314 -11.470 1.844 240 HD13 ILE 30 HD13 ILE 30 8.893 -9.873 1.333 241 H TRP 31 H TRP 31 10.338 -15.612 -1.188 242 HA TRP 31 HA TRP 31 7.941 -17.239 -1.051 243 HB2 TRP 31 HB2 TRP 31 10.447 -17.669 -2.677 244 HB3 TRP 31 HB3 TRP 31 8.869 -18.359 -2.990 245 HD1 TRP 31 HD1 TRP 31 10.984 -15.688 -4.105 246 HE1 TRP 31 HE1 TRP 31 9.785 -13.666 -5.070 247 HE3 TRP 31 HE3 TRP 31 6.183 -16.939 -2.823 248 HZ2 TRP 31 HZ2 TRP 31 7.077 -12.600 -5.086 249 HZ3 TRP 31 HZ3 TRP 31 4.300 -15.415 -3.409 250 HH2 TRP 31 HH2 TRP 31 4.733 -13.245 -4.497 251 H TYR 32 H TYR 32 10.940 -17.430 0.609 252 HA TYR 32 HA TYR 32 10.718 -20.389 0.903 253 HB2 TYR 32 HB2 TYR 32 13.209 -18.651 0.812 254 HB3 TYR 32 HB3 TYR 32 13.178 -20.402 0.986 255 HD1 TYR 32 HD1 TYR 32 11.448 -21.547 -0.890 256 HD2 TYR 32 HD2 TYR 32 13.910 -18.037 -1.359 257 HE1 TYR 32 HE1 TYR 32 11.428 -21.861 -3.334 258 HE2 TYR 32 HE2 TYR 32 13.820 -18.279 -3.806 259 HH TYR 32 HH TYR 32 13.063 -19.598 -5.617 260 H ASN 33 H ASN 33 10.056 -17.759 2.707 261 HA ASN 33 HA ASN 33 10.681 -19.193 5.259 262 HB2 ASN 33 HB2 ASN 33 10.532 -16.232 4.605 263 HB3 ASN 33 HB3 ASN 33 10.485 -16.885 6.237 264 HD21 ASN 33 HD22 ASN 33 12.474 -16.346 3.437 265 HD22 ASN 33 HD21 ASN 33 14.028 -16.527 4.254 266 H ARG 34 H ARG 34 8.767 -20.276 5.478 267 HA ARG 34 HA ARG 34 6.423 -19.733 4.106 268 HB2 ARG 34 HB2 ARG 34 5.564 -21.619 5.121 269 HB3 ARG 34 HB3 ARG 34 7.326 -21.826 5.083 270 HG2 ARG 34 HG2 ARG 34 7.479 -21.262 7.483 271 HG3 ARG 34 HG3 ARG 34 5.710 -21.048 7.556 272 HD2 ARG 34 HD2 ARG 34 5.414 -23.365 6.708 273 HD3 ARG 34 HD3 ARG 34 7.160 -23.576 6.694 274 HE ARG 34 HE ARG 34 7.242 -23.749 8.990 275 HH11 ARG 34 HH11 ARG 34 3.895 -22.934 8.059 276 HH12 ARG 34 HH12 ARG 34 3.239 -23.278 9.622 277 HH21 ARG 34 HH21 ARG 34 6.359 -24.202 11.051 278 HH22 ARG 34 HH22 ARG 34 4.670 -24.007 11.355 279 H GLU 35 H GLU 35 7.340 -18.276 7.010 280 HA GLU 35 HA GLU 35 4.580 -17.278 7.525 281 HB2 GLU 35 HB2 GLU 35 5.246 -16.880 9.763 282 HB3 GLU 35 HB3 GLU 35 5.610 -18.550 9.378 283 HG2 GLU 35 HG2 GLU 35 7.648 -16.271 9.510 284 HG3 GLU 35 HG3 GLU 35 7.310 -17.402 10.807 285 H ARG 36 H ARG 36 7.883 -16.254 6.681 286 HA ARG 36 HA ARG 36 7.248 -13.431 7.166 287 HB2 ARG 36 HB2 ARG 36 9.655 -14.728 5.893 288 HB3 ARG 36 HB3 ARG 36 9.436 -13.033 6.154 289 HG2 ARG 36 HG2 ARG 36 9.801 -15.192 8.247 290 HG3 ARG 36 HG3 ARG 36 10.790 -13.762 7.937 291 HD2 ARG 36 HD2 ARG 36 8.932 -12.304 8.761 292 HD3 ARG 36 HD3 ARG 36 7.998 -13.765 9.148 293 HE ARG 36 HE ARG 36 10.623 -13.785 10.353 294 HH11 ARG 36 HH11 ARG 36 7.304 -12.462 10.776 295 HH12 ARG 36 HH12 ARG 36 7.464 -12.328 12.491 296 HH21 ARG 36 HH21 ARG 36 10.790 -13.577 12.631 297 HH22 ARG 36 HH22 ARG 36 9.475 -12.958 13.566 298 H SER 37 H SER 37 6.798 -15.751 4.662 299 HA SER 37 HA SER 37 6.448 -14.138 2.386 300 HB2 SER 37 HB2 SER 37 4.632 -15.912 1.925 301 HB3 SER 37 HB3 SER 37 6.260 -16.528 2.219 302 HG SER 37 HG SER 37 4.570 -17.632 3.412 303 H GLU 38 H GLU 38 4.105 -15.059 4.929 304 HA GLU 38 HA GLU 38 1.890 -13.827 4.000 305 HB2 GLU 38 HB2 GLU 38 2.393 -15.500 5.979 306 HB3 GLU 38 HB3 GLU 38 2.375 -14.029 6.970 307 HG2 GLU 38 HG2 GLU 38 0.134 -13.497 6.003 308 HG3 GLU 38 HG3 GLU 38 0.165 -15.005 5.102 309 H GLU 39 H GLU 39 4.458 -12.225 5.844 310 HA GLU 39 HA GLU 39 3.046 -9.997 6.799 311 HB2 GLU 39 HB2 GLU 39 5.898 -9.816 5.834 312 HB3 GLU 39 HB3 GLU 39 5.198 -9.119 7.279 313 HG2 GLU 39 HG2 GLU 39 5.864 -12.036 6.869 314 HG3 GLU 39 HG3 GLU 39 6.860 -10.876 7.632 315 H LEU 40 H LEU 40 4.483 -10.682 3.669 316 HA LEU 40 HA LEU 40 4.374 -8.075 2.489 317 HB2 LEU 40 HB2 LEU 40 5.579 -10.076 1.572 318 HB3 LEU 40 HB3 LEU 40 4.031 -10.794 1.221 319 HG LEU 40 HG LEU 40 5.656 -9.002 -0.384 320 HD11 LEU 40 HD11 LEU 40 4.781 -11.157 -1.094 321 HD12 LEU 40 HD12 LEU 40 3.125 -10.518 -1.033 322 HD13 LEU 40 HD13 LEU 40 4.309 -9.850 -2.185 323 HD21 LEU 40 HD21 LEU 40 4.096 -7.181 0.420 324 HD22 LEU 40 HD22 LEU 40 4.083 -7.483 -1.306 325 HD23 LEU 40 HD23 LEU 40 2.765 -8.103 -0.345 326 H PHE 41 H PHE 41 2.096 -10.818 2.566 327 HA PHE 41 HA PHE 41 0.107 -9.556 0.986 328 HB2 PHE 41 HB2 PHE 41 -0.145 -11.919 2.878 329 HB3 PHE 41 HB3 PHE 41 -1.298 -11.458 1.630 330 HD1 PHE 41 HD1 PHE 41 -0.728 -11.677 -0.785 331 HD2 PHE 41 HD2 PHE 41 2.100 -12.736 2.273 332 HE1 PHE 41 HE1 PHE 41 0.749 -12.708 -2.492 333 HE2 PHE 41 HE2 PHE 41 3.566 -13.797 0.570 334 HZ PHE 41 HZ PHE 41 2.884 -13.785 -1.827 335 H TRP 42 H TRP 42 0.595 -9.866 4.527 336 HA TRP 42 HA TRP 42 -1.721 -8.432 5.318 337 HB2 TRP 42 HB2 TRP 42 1.011 -8.848 6.542 338 HB3 TRP 42 HB3 TRP 42 -0.163 -7.803 7.311 339 HD1 TRP 42 HD1 TRP 42 0.784 -11.364 7.097 340 HE1 TRP 42 HE1 TRP 42 -0.937 -12.890 8.192 341 HE3 TRP 42 HE3 TRP 42 -3.031 -7.983 7.574 342 HZ2 TRP 42 HZ2 TRP 42 -3.702 -12.683 9.102 343 HZ3 TRP 42 HZ3 TRP 42 -5.222 -8.694 8.487 344 HH2 TRP 42 HH2 TRP 42 -5.574 -11.035 9.252 345 H GLU 43 H GLU 43 1.422 -7.163 4.067 346 HA GLU 43 HA GLU 43 0.930 -4.440 4.758 347 HB2 GLU 43 HB2 GLU 43 2.962 -6.025 3.418 348 HB3 GLU 43 HB3 GLU 43 2.541 -4.706 2.343 349 HG2 GLU 43 HG2 GLU 43 3.291 -4.371 5.270 350 HG3 GLU 43 HG3 GLU 43 4.462 -4.355 3.957 351 H VAL 44 H VAL 44 0.085 -6.404 1.820 352 HA VAL 44 HA VAL 44 -0.886 -4.046 0.466 353 HB VAL 44 HB VAL 44 -1.637 -5.690 -1.196 354 HG11 VAL 44 HG11 VAL 44 0.674 -6.086 -1.974 355 HG12 VAL 44 HG12 VAL 44 0.619 -4.515 -1.153 356 HG13 VAL 44 HG13 VAL 44 1.287 -5.951 -0.320 357 HG21 VAL 44 HG21 VAL 44 -1.845 -7.744 0.177 358 HG22 VAL 44 HG22 VAL 44 -0.770 -7.949 -1.204 359 HG23 VAL 44 HG23 VAL 44 -0.061 -7.676 0.382 360 H MET 45 H MET 45 -2.392 -6.823 2.086 361 HA MET 45 HA MET 45 -5.120 -6.088 1.820 362 HB2 MET 45 HB2 MET 45 -3.548 -7.377 4.094 363 HB3 MET 45 HB3 MET 45 -5.292 -7.173 4.116 364 HG2 MET 45 HG2 MET 45 -3.800 -8.742 1.980 365 HG3 MET 45 HG3 MET 45 -4.528 -9.408 3.429 366 HE1 MET 45 HE1 MET 45 -4.938 -9.142 -0.206 367 HE2 MET 45 HE2 MET 45 -6.582 -8.546 -0.538 368 HE3 MET 45 HE3 MET 45 -5.329 -7.424 0.034 369 H ASP 46 H ASP 46 -2.632 -5.016 4.238 370 HA ASP 46 HA ASP 46 -4.269 -3.227 5.646 371 HB2 ASP 46 HB2 ASP 46 -2.016 -3.820 6.390 372 HB3 ASP 46 HB3 ASP 46 -1.305 -2.957 5.045 373 H GLU 47 H GLU 47 -2.422 -2.657 2.623 374 HA GLU 47 HA GLU 47 -2.871 0.092 2.375 375 HB2 GLU 47 HB2 GLU 47 -1.869 -2.165 0.762 376 HB3 GLU 47 HB3 GLU 47 -2.747 -1.042 -0.220 377 HG2 GLU 47 HG2 GLU 47 -0.395 -0.387 1.592 378 HG3 GLU 47 HG3 GLU 47 -0.334 -0.628 -0.135 379 H VAL 48 H VAL 48 -5.172 -2.445 2.125 380 HA VAL 48 HA VAL 48 -7.117 -0.627 0.759 381 HB VAL 48 HB VAL 48 -8.028 -2.475 -0.479 382 HG11 VAL 48 HG11 VAL 48 -6.234 -2.922 -2.044 383 HG12 VAL 48 HG12 VAL 48 -6.060 -1.258 -1.438 384 HG13 VAL 48 HG13 VAL 48 -5.004 -2.546 -0.817 385 HG21 VAL 48 HG21 VAL 48 -5.847 -4.282 0.636 386 HG22 VAL 48 HG22 VAL 48 -7.535 -4.334 1.149 387 HG23 VAL 48 HG23 VAL 48 -7.112 -4.719 -0.528 388 H HIS 49 H HIS 49 -6.409 -2.064 3.621 389 HA HIS 49 HA HIS 49 -8.532 -3.646 4.078 390 HB2 HIS 49 HB2 HIS 49 -6.352 -2.984 5.535 391 HB3 HIS 49 HB3 HIS 49 -7.591 -2.242 6.530 392 HD1 HIS 49 HD1 HIS 49 -8.578 -4.005 8.263 393 HD2 HIS 49 HD2 HIS 49 -7.119 -5.636 4.670 394 HE1 HIS 49 HE1 HIS 49 -8.881 -6.531 8.450 395 H GLU 50 H GLU 50 -8.732 -0.156 4.277 396 HA GLU 50 HA GLU 50 -11.094 0.084 5.854 397 HB2 GLU 50 HB2 GLU 50 -10.035 1.797 3.560 398 HB3 GLU 50 HB3 GLU 50 -11.382 2.248 4.609 399 HG2 GLU 50 HG2 GLU 50 -9.869 2.072 6.602 400 HG3 GLU 50 HG3 GLU 50 -8.514 1.759 5.518 401 H GLU 51 H GLU 51 -10.665 -1.295 2.694 402 HA GLU 51 HA GLU 51 -13.582 -1.210 2.134 403 HB2 GLU 51 HB2 GLU 51 -11.164 -1.478 0.322 404 HB3 GLU 51 HB3 GLU 51 -12.829 -1.736 -0.206 405 HG2 GLU 51 HG2 GLU 51 -13.462 0.524 0.408 406 HG3 GLU 51 HG3 GLU 51 -11.872 0.846 1.089 407 H GLU 52 H GLU 52 -11.359 -3.163 3.608 408 HA GLU 52 HA GLU 52 -12.504 -5.727 2.590 409 HB2 GLU 52 HB2 GLU 52 -9.898 -5.105 3.943 410 HB3 GLU 52 HB3 GLU 52 -10.463 -6.719 3.653 411 HG2 GLU 52 HG2 GLU 52 -9.910 -4.643 1.500 412 HG3 GLU 52 HG3 GLU 52 -8.898 -5.999 1.955 413 H GLU 53 H GLU 53 -12.116 -3.620 5.429 414 HA GLU 53 HA GLU 53 -12.378 -5.465 7.456 415 HB2 GLU 53 HB2 GLU 53 -13.083 -3.602 8.862 416 HB3 GLU 53 HB3 GLU 53 -11.748 -3.153 7.804 417 HG2 GLU 53 HG2 GLU 53 -13.284 -1.945 6.308 418 HG3 GLU 53 HG3 GLU 53 -14.675 -2.490 7.242 419 H PHE 54 H PHE 54 -14.878 -4.675 5.225 420 HA PHE 54 HA PHE 54 -16.947 -5.967 6.934 421 HB2 PHE 54 HB2 PHE 54 -18.574 -4.783 5.469 422 HB3 PHE 54 HB3 PHE 54 -17.575 -3.731 6.440 423 HD1 PHE 54 HD2 PHE 54 -17.981 -5.074 2.954 424 HD2 PHE 54 HD1 PHE 54 -16.261 -2.005 5.457 425 HE1 PHE 54 HE2 PHE 54 -17.307 -3.797 0.937 426 HE2 PHE 54 HE1 PHE 54 -15.608 -0.728 3.436 427 HZ PHE 54 HZ PHE 54 -16.121 -1.622 1.177 428 H ALA 55 H ALA 55 -14.760 -6.906 4.715 429 HA ALA 55 HA ALA 55 -16.556 -8.947 3.534 430 HB1 ALA 55 HB1 ALA 55 -15.502 -8.636 1.333 431 HB2 ALA 55 HB2 ALA 55 -16.241 -7.109 1.859 432 HB3 ALA 55 HB3 ALA 55 -14.481 -7.336 1.982 433 H VAL 56 H VAL 56 -13.833 -8.407 5.390 434 HA VAL 56 HA VAL 56 -12.392 -10.738 4.511 435 HB VAL 56 HB VAL 56 -11.197 -8.894 5.397 436 HG11 VAL 56 HG11 VAL 56 -12.374 -9.369 8.154 437 HG12 VAL 56 HG12 VAL 56 -11.175 -8.157 7.662 438 HG13 VAL 56 HG13 VAL 56 -12.838 -8.034 7.085 439 HG21 VAL 56 HG21 VAL 56 -9.737 -10.137 6.899 440 HG22 VAL 56 HG22 VAL 56 -11.033 -11.323 7.206 441 HG23 VAL 56 HG23 VAL 56 -10.336 -11.176 5.585 442 H GLU 57 H GLU 57 -14.281 -12.033 4.358 443 HA GLU 57 HA GLU 57 -14.709 -13.709 6.737 444 HB2 GLU 57 HB2 GLU 57 -17.180 -13.486 6.461 445 HB3 GLU 57 HB3 GLU 57 -16.400 -12.065 7.108 446 HG2 GLU 57 HG2 GLU 57 -16.692 -10.794 5.181 447 HG3 GLU 57 HG3 GLU 57 -16.875 -12.186 4.128 448 H GLY 58 H GLY 58 -13.271 -14.086 4.281 449 HA2 GLY 58 HA2 GLY 58 -14.491 -16.488 3.225 450 HA3 GLY 58 HA3 GLY 58 -14.492 -15.149 2.068 451 HA PRO 59 HA PRO 59 -10.434 -17.509 2.161 452 HB2 PRO 59 HB2 PRO 59 -10.356 -18.437 -0.402 453 HB3 PRO 59 HB3 PRO 59 -11.291 -19.228 0.899 454 HG2 PRO 59 HG2 PRO 59 -12.308 -17.260 -1.180 455 HG3 PRO 59 HG3 PRO 59 -12.993 -18.851 -0.696 456 HD2 PRO 59 HD2 PRO 59 -13.942 -16.524 0.323 457 HD3 PRO 59 HD3 PRO 59 -13.837 -18.028 1.296 458 H LEU 60 H LEU 60 -8.476 -17.233 0.725 459 HA LEU 60 HA LEU 60 -8.400 -14.862 -0.987 460 HB2 LEU 60 HB2 LEU 60 -7.633 -14.217 1.421 461 HB3 LEU 60 HB3 LEU 60 -6.293 -15.350 1.148 462 HG LEU 60 HG LEU 60 -5.524 -13.972 -0.768 463 HD11 LEU 60 HD11 LEU 60 -7.600 -12.899 -1.520 464 HD12 LEU 60 HD12 LEU 60 -7.793 -12.096 0.054 465 HD13 LEU 60 HD13 LEU 60 -6.462 -11.645 -1.027 466 HD21 LEU 60 HD21 LEU 60 -4.623 -13.591 1.492 467 HD22 LEU 60 HD22 LEU 60 -4.655 -12.099 0.546 468 HD23 LEU 60 HD23 LEU 60 -5.884 -12.379 1.799 469 H TRP 61 H TRP 61 -6.643 -15.053 -2.498 470 HA TRP 61 HA TRP 61 -5.415 -17.745 -2.776 471 HB2 TRP 61 HB2 TRP 61 -7.156 -16.114 -4.624 472 HB3 TRP 61 HB3 TRP 61 -6.317 -17.492 -5.223 473 HD1 TRP 61 HD1 TRP 61 -9.298 -16.333 -3.169 474 HE1 TRP 61 HE1 TRP 61 -11.012 -18.240 -2.915 475 HE3 TRP 61 HE3 TRP 61 -6.509 -20.123 -5.072 476 HZ2 TRP 61 HZ2 TRP 61 -11.112 -21.106 -3.430 477 HZ3 TRP 61 HZ3 TRP 61 -7.404 -22.453 -5.186 478 HH2 TRP 61 HH2 TRP 61 -9.709 -22.942 -4.357 479 H ILE 62 H ILE 62 -3.539 -17.637 -4.269 480 HA ILE 62 HA ILE 62 -2.562 -14.869 -4.817 481 HB ILE 62 HB ILE 62 -0.763 -17.056 -3.762 482 HG12 ILE 62 HG12 ILE 62 -2.367 -16.892 -1.939 483 HG13 ILE 62 HG13 ILE 62 -0.762 -16.337 -1.522 484 HG21 ILE 62 HG21 ILE 62 0.622 -15.091 -3.054 485 HG22 ILE 62 HG22 ILE 62 0.352 -15.184 -4.792 486 HG23 ILE 62 HG23 ILE 62 -0.583 -14.022 -3.831 487 HD11 ILE 62 HD11 ILE 62 -3.174 -14.557 -1.994 488 HD12 ILE 62 HD12 ILE 62 -2.385 -14.919 -0.458 489 HD13 ILE 62 HD13 ILE 62 -1.531 -13.971 -1.684 490 H GLN 63 H GLN 63 -1.389 -14.699 -6.730 491 HA GLN 63 HA GLN 63 0.269 -16.974 -7.372 492 HB2 GLN 63 HB2 GLN 63 -0.026 -17.110 -9.719 493 HB3 GLN 63 HB3 GLN 63 -1.495 -17.520 -8.921 494 HG2 GLN 63 HG2 GLN 63 -2.427 -16.234 -10.454 495 HG3 GLN 63 HG3 GLN 63 -2.076 -14.917 -9.350 496 HE21 GLN 63 HE22 GLN 63 -0.803 -16.753 -12.194 497 HE22 GLN 63 HE21 GLN 63 0.339 -15.511 -12.681 498 H VAL 64 H VAL 64 2.036 -16.175 -9.087 499 HA VAL 64 HA VAL 64 2.517 -13.285 -8.815 500 HB VAL 64 HB VAL 64 3.314 -14.301 -6.732 501 HG11 VAL 64 HG11 VAL 64 5.329 -15.686 -6.679 502 HG12 VAL 64 HG12 VAL 64 4.044 -16.519 -7.555 503 HG13 VAL 64 HG13 VAL 64 5.380 -15.745 -8.449 504 HG21 VAL 64 HG21 VAL 64 5.626 -13.242 -8.385 505 HG22 VAL 64 HG22 VAL 64 4.322 -12.232 -7.710 506 HG23 VAL 64 HG23 VAL 64 5.383 -13.141 -6.655 507 H GLN 65 H GLN 65 4.283 -12.538 -10.138 508 HA GLN 65 HA GLN 65 5.506 -14.376 -12.136 509 HB2 GLN 65 HB2 GLN 65 4.420 -11.533 -12.495 510 HB3 GLN 65 HB3 GLN 65 5.604 -12.244 -13.563 511 HG2 GLN 65 HG2 GLN 65 3.479 -12.387 -14.630 512 HG3 GLN 65 HG3 GLN 65 4.110 -13.982 -14.199 513 HE21 GLN 65 HE22 GLN 65 2.312 -11.814 -11.953 514 HE22 GLN 65 HE21 GLN 65 1.016 -12.984 -11.766 515 H ALA 66 H ALA 66 7.718 -13.842 -12.356 516 HA ALA 66 HA ALA 66 8.761 -11.583 -10.698 517 HB1 ALA 66 HB1 ALA 66 10.241 -14.111 -11.520 518 HB2 ALA 66 HB2 ALA 66 10.882 -12.752 -10.564 519 HB3 ALA 66 HB3 ALA 66 9.597 -13.768 -9.890 520 H LEU 67 H LEU 67 9.741 -10.015 -11.770 521 HA LEU 67 HA LEU 67 9.909 -10.103 -14.744 522 HB2 LEU 67 HB2 LEU 67 9.015 -7.866 -12.855 523 HB3 LEU 67 HB3 LEU 67 9.196 -7.701 -14.571 524 HG LEU 67 HG LEU 67 7.489 -9.853 -14.537 525 HD11 LEU 67 HD11 LEU 67 6.761 -8.184 -12.147 526 HD12 LEU 67 HD12 LEU 67 5.715 -9.392 -12.943 527 HD13 LEU 67 HD13 LEU 67 7.214 -9.912 -12.176 528 HD21 LEU 67 HD21 LEU 67 5.681 -8.238 -14.988 529 HD22 LEU 67 HD22 LEU 67 6.670 -6.921 -14.327 530 HD23 LEU 67 HD23 LEU 67 7.163 -7.749 -15.828 531 H ASP 68 H ASP 68 11.146 -7.654 -15.131 532 HA ASP 68 HA ASP 68 13.796 -8.494 -14.932 533 HB2 ASP 68 HB2 ASP 68 12.868 -6.935 -16.623 534 HB3 ASP 68 HB3 ASP 68 12.816 -5.663 -15.401 535 H LYS 69 H LYS 69 12.148 -6.068 -12.874 536 HA LYS 69 HA LYS 69 14.360 -6.249 -10.891 537 HB2 LYS 69 HB2 LYS 69 13.249 -3.729 -12.099 538 HB3 LYS 69 HB3 LYS 69 14.208 -3.731 -10.624 539 HG2 LYS 69 HG2 LYS 69 15.194 -4.676 -13.337 540 HG3 LYS 69 HG3 LYS 69 15.514 -3.126 -12.578 541 HD2 LYS 69 HD2 LYS 69 16.594 -4.432 -10.626 542 HD3 LYS 69 HD3 LYS 69 16.422 -5.868 -11.609 543 HE2 LYS 69 HE2 LYS 69 18.643 -5.147 -11.937 544 HE3 LYS 69 HE3 LYS 69 17.769 -4.816 -13.430 545 HZ1 LYS 69 HZ1 LYS 69 17.660 -2.472 -12.772 546 HZ2 LYS 69 HZ2 LYS 69 18.422 -2.788 -11.355 547 HZ3 LYS 69 HZ3 LYS 69 19.208 -2.976 -12.768 548 H GLY 70 H GLY 70 11.557 -7.340 -10.969 549 HA2 GLY 70 HA2 GLY 70 10.736 -6.746 -8.312 550 HA3 GLY 70 HA3 GLY 70 9.765 -5.802 -9.425 551 H LEU 71 H LEU 71 8.091 -7.251 -8.413 552 HA LEU 71 HA LEU 71 7.623 -9.656 -10.123 553 HB2 LEU 71 HB2 LEU 71 7.114 -9.414 -7.134 554 HB3 LEU 71 HB3 LEU 71 6.606 -10.754 -8.136 555 HG LEU 71 HG LEU 71 9.441 -10.474 -8.559 556 HD11 LEU 71 HD11 LEU 71 10.285 -10.682 -6.253 557 HD12 LEU 71 HD12 LEU 71 9.457 -9.126 -6.511 558 HD13 LEU 71 HD13 LEU 71 8.635 -10.428 -5.623 559 HD21 LEU 71 HD21 LEU 71 7.964 -12.554 -6.934 560 HD22 LEU 71 HD22 LEU 71 8.141 -12.575 -8.666 561 HD23 LEU 71 HD23 LEU 71 9.582 -12.697 -7.633 562 H GLU 72 H GLU 72 5.428 -9.948 -10.654 563 HA GLU 72 HA GLU 72 3.533 -7.850 -9.626 564 HB2 GLU 72 HB2 GLU 72 3.321 -9.605 -12.106 565 HB3 GLU 72 HB3 GLU 72 1.930 -8.871 -11.338 566 HG2 GLU 72 HG2 GLU 72 2.916 -6.608 -11.643 567 HG3 GLU 72 HG3 GLU 72 4.228 -7.343 -12.571 568 H ILE 73 H ILE 73 2.229 -8.567 -8.007 569 HA ILE 73 HA ILE 73 1.898 -11.500 -7.695 570 HB ILE 73 HB ILE 73 1.623 -9.317 -5.620 571 HG12 ILE 73 HG12 ILE 73 3.529 -10.181 -4.382 572 HG13 ILE 73 HG13 ILE 73 3.925 -11.317 -5.616 573 HG21 ILE 73 HG21 ILE 73 1.613 -12.354 -5.332 574 HG22 ILE 73 HG22 ILE 73 1.508 -11.194 -3.991 575 HG23 ILE 73 HG23 ILE 73 0.205 -11.286 -5.174 576 HD11 ILE 73 HD11 ILE 73 3.935 -8.302 -6.071 577 HD12 ILE 73 HD12 ILE 73 5.333 -9.216 -5.472 578 HD13 ILE 73 HD13 ILE 73 4.684 -9.557 -7.081 579 H ILE 74 H ILE 74 -0.208 -12.170 -7.973 580 HA ILE 74 HA ILE 74 -2.419 -10.143 -8.134 581 HB ILE 74 HB ILE 74 -1.916 -12.731 -9.604 582 HG12 ILE 74 HG12 ILE 74 -2.268 -11.542 -11.657 583 HG13 ILE 74 HG13 ILE 74 -2.660 -10.049 -10.825 584 HG21 ILE 74 HG21 ILE 74 -4.213 -12.835 -8.938 585 HG22 ILE 74 HG22 ILE 74 -4.514 -11.164 -9.477 586 HG23 ILE 74 HG23 ILE 74 -4.161 -12.456 -10.651 587 HD11 ILE 74 HD11 ILE 74 0.088 -11.345 -10.673 588 HD12 ILE 74 HD12 ILE 74 -0.377 -10.183 -11.933 589 HD13 ILE 74 HD13 ILE 74 -0.349 -9.683 -10.243 590 H VAL 75 H VAL 75 -4.233 -10.605 -6.861 591 HA VAL 75 HA VAL 75 -4.011 -12.874 -5.026 592 HB VAL 75 HB VAL 75 -4.932 -10.277 -3.854 593 HG11 VAL 75 HG11 VAL 75 -4.699 -12.384 -2.555 594 HG12 VAL 75 HG12 VAL 75 -2.953 -12.367 -2.881 595 HG13 VAL 75 HG13 VAL 75 -3.695 -11.074 -1.907 596 HG21 VAL 75 HG21 VAL 75 -2.713 -9.420 -3.337 597 HG22 VAL 75 HG22 VAL 75 -1.956 -10.646 -4.388 598 HG23 VAL 75 HG23 VAL 75 -2.990 -9.369 -5.079 599 H THR 76 H THR 76 -5.999 -13.964 -5.107 600 HA THR 76 HA THR 76 -8.225 -12.484 -6.438 601 HB THR 76 HB THR 76 -8.659 -14.269 -7.818 602 HG1 THR 76 HG1 THR 76 -7.963 -16.303 -7.658 603 HG21 THR 76 HG21 THR 76 -6.612 -14.803 -9.023 604 HG22 THR 76 HG22 THR 76 -6.447 -13.148 -8.422 605 HG23 THR 76 HG23 THR 76 -5.619 -14.500 -7.586 606 H LYS 77 H LYS 77 -10.402 -13.641 -6.195 607 HA LYS 77 HA LYS 77 -10.718 -15.111 -3.656 608 HB2 LYS 77 HB2 LYS 77 -12.520 -12.849 -4.539 609 HB3 LYS 77 HB3 LYS 77 -12.735 -13.892 -3.126 610 HG2 LYS 77 HG2 LYS 77 -10.394 -13.094 -2.364 611 HG3 LYS 77 HG3 LYS 77 -10.554 -11.870 -3.627 612 HD2 LYS 77 HD2 LYS 77 -12.878 -11.360 -2.469 613 HD3 LYS 77 HD3 LYS 77 -12.233 -12.445 -1.218 614 HE2 LYS 77 HE2 LYS 77 -10.227 -10.814 -1.062 615 HE3 LYS 77 HE3 LYS 77 -11.100 -9.730 -2.117 616 HZ1 LYS 77 HZ1 LYS 77 -11.453 -9.137 0.210 617 HZ2 LYS 77 HZ2 LYS 77 -12.882 -9.625 -0.419 618 HZ3 LYS 77 HZ3 LYS 77 -12.027 -10.626 0.571 619 H ALA 78 H ALA 78 -13.092 -15.852 -3.651 620 HA ALA 78 HA ALA 78 -13.608 -17.580 -5.945 621 HB1 ALA 78 HB1 ALA 78 -15.684 -18.132 -4.724 622 HB2 ALA 78 HB2 ALA 78 -14.283 -18.230 -3.640 623 HB3 ALA 78 HB3 ALA 78 -15.371 -16.821 -3.565 624 H GLN 79 H GLN 79 -15.484 -17.367 -7.349 625 HA GLN 79 HA GLN 79 -16.004 -14.726 -8.343 626 HB2 GLN 79 HB2 GLN 79 -16.130 -16.842 -9.671 627 HB3 GLN 79 HB3 GLN 79 -17.547 -17.335 -8.742 628 HG2 GLN 79 HG2 GLN 79 -18.812 -15.391 -9.618 629 HG3 GLN 79 HG3 GLN 79 -17.376 -14.829 -10.486 630 HE21 GLN 79 HE22 GLN 79 -19.855 -17.439 -10.343 631 HE22 GLN 79 HE21 GLN 79 -19.577 -18.017 -11.969 632 H LEU 80 H LEU 80 -17.748 -13.325 -7.918 633 HA LEU 80 HA LEU 80 -19.904 -14.184 -6.110 634 HB2 LEU 80 HB2 LEU 80 -18.090 -13.340 -4.628 635 HB3 LEU 80 HB3 LEU 80 -18.045 -11.831 -5.542 636 HG LEU 80 HG LEU 80 -20.333 -11.281 -4.790 637 HD11 LEU 80 HD11 LEU 80 -20.211 -13.909 -3.245 638 HD12 LEU 80 HD12 LEU 80 -21.435 -12.637 -3.007 639 HD13 LEU 80 HD13 LEU 80 -21.361 -13.501 -4.538 640 HD21 LEU 80 HD21 LEU 80 -19.818 -10.902 -2.418 641 HD22 LEU 80 HD22 LEU 80 -18.524 -12.121 -2.486 642 HD23 LEU 80 HD23 LEU 80 -18.379 -10.621 -3.417 643 H SER 81 H SER 81 -21.808 -13.281 -6.782 644 HA SER 81 HA SER 81 -21.819 -12.247 -9.383 645 HB2 SER 81 HB2 SER 81 -24.379 -12.158 -8.813 646 HB3 SER 81 HB3 SER 81 -23.517 -13.694 -8.897 647 HG SER 81 HG SER 81 -24.841 -13.519 -7.006 648 H LYS 82 H LYS 82 -21.352 -10.314 -6.608 649 HA LYS 82 HA LYS 82 -22.780 -7.957 -7.373 650 HB2 LYS 82 HB2 LYS 82 -20.009 -8.187 -6.114 651 HB3 LYS 82 HB3 LYS 82 -20.950 -6.697 -6.265 652 HG2 LYS 82 HG2 LYS 82 -22.801 -7.822 -4.932 653 HG3 LYS 82 HG3 LYS 82 -21.680 -9.145 -4.605 654 HD2 LYS 82 HD2 LYS 82 -21.312 -6.215 -3.830 655 HD3 LYS 82 HD3 LYS 82 -21.757 -7.542 -2.749 656 HE2 LYS 82 HE2 LYS 82 -19.553 -8.644 -3.218 657 HE3 LYS 82 HE3 LYS 82 -19.107 -7.286 -4.253 658 HZ1 LYS 82 HZ1 LYS 82 -18.187 -7.042 -2.033 659 HZ2 LYS 82 HZ2 LYS 82 -19.262 -5.835 -2.297 660 HZ3 LYS 82 HZ3 LYS 82 -19.668 -7.106 -1.339 661 H ASP 83 H ASP 83 -19.703 -9.365 -8.556 662 HA ASP 83 HA ASP 83 -19.271 -7.155 -10.434 663 HB2 ASP 83 HB2 ASP 83 -17.415 -8.268 -9.207 664 HB3 ASP 83 HB3 ASP 83 -17.747 -9.757 -10.092 665 H LEU 84 H LEU 84 -21.740 -8.462 -10.750 666 HA LEU 84 HA LEU 84 -21.634 -9.313 -13.545 667 HB2 LEU 84 HB2 LEU 84 -21.592 -11.371 -11.850 668 HB3 LEU 84 HB3 LEU 84 -23.281 -10.991 -11.610 669 HG LEU 84 HG LEU 84 -21.955 -11.655 -14.281 670 HD11 LEU 84 HD11 LEU 84 -23.748 -13.350 -12.480 671 HD12 LEU 84 HD12 LEU 84 -23.099 -13.824 -14.067 672 HD13 LEU 84 HD13 LEU 84 -21.998 -13.564 -12.707 673 HD21 LEU 84 HD21 LEU 84 -23.910 -10.329 -14.736 674 HD22 LEU 84 HD22 LEU 84 -24.336 -12.007 -15.047 675 HD23 LEU 84 HD23 LEU 84 -24.878 -11.230 -13.541 676 H ASP 85 H ASP 85 -23.628 -8.844 -10.570 677 HA ASP 85 HA ASP 85 -25.926 -7.715 -11.791 678 HB2 ASP 85 HB2 ASP 85 -25.916 -8.505 -9.481 679 HB3 ASP 85 HB3 ASP 85 -24.702 -7.306 -9.036 680 H LYS 86 H LYS 86 -22.920 -6.143 -10.514 681 HA LYS 86 HA LYS 86 -23.750 -3.497 -11.421 682 HB2 LYS 86 HB2 LYS 86 -21.033 -4.540 -10.566 683 HB3 LYS 86 HB3 LYS 86 -21.428 -2.860 -10.941 684 HG2 LYS 86 HG2 LYS 86 -22.527 -4.540 -8.652 685 HG3 LYS 86 HG3 LYS 86 -21.439 -3.157 -8.591 686 HD2 LYS 86 HD2 LYS 86 -23.270 -1.682 -9.437 687 HD3 LYS 86 HD3 LYS 86 -24.384 -3.071 -9.342 688 HE2 LYS 86 HE2 LYS 86 -23.886 -3.321 -6.932 689 HE3 LYS 86 HE3 LYS 86 -22.747 -1.970 -7.024 690 HZ1 LYS 86 HZ1 LYS 86 -24.902 -1.272 -6.170 691 HZ2 LYS 86 HZ2 LYS 86 -24.623 -0.515 -7.591 692 HZ3 LYS 86 HZ3 LYS 86 -25.672 -1.777 -7.519 693 H LEU 87 H LEU 87 -23.208 -2.503 -13.341 694 HA LEU 87 HA LEU 87 -21.730 -3.931 -15.442 695 HB2 LEU 87 HB2 LEU 87 -23.225 -4.226 -16.868 696 HB3 LEU 87 HB3 LEU 87 -23.976 -4.822 -15.409 697 HG LEU 87 HG LEU 87 -24.604 -2.152 -16.801 698 HD11 LEU 87 HD11 LEU 87 -25.926 -4.868 -16.605 699 HD12 LEU 87 HD12 LEU 87 -26.605 -3.450 -17.477 700 HD13 LEU 87 HD13 LEU 87 -25.064 -4.199 -18.001 701 HD21 LEU 87 HD21 LEU 87 -26.595 -2.166 -15.268 702 HD22 LEU 87 HD22 LEU 87 -25.858 -3.534 -14.391 703 HD23 LEU 87 HD23 LEU 87 -25.057 -1.954 -14.408 704 H VAL 88 H VAL 88 -21.711 -2.485 -17.472 705 HA VAL 88 HA VAL 88 -22.066 0.391 -16.932 706 HB VAL 88 HB VAL 88 -19.917 0.933 -17.957 707 HG11 VAL 88 HG11 VAL 88 -18.458 0.436 -16.110 708 HG12 VAL 88 HG12 VAL 88 -20.078 0.777 -15.493 709 HG13 VAL 88 HG13 VAL 88 -19.488 -0.901 -15.571 710 HG21 VAL 88 HG21 VAL 88 -19.560 -1.056 -19.325 711 HG22 VAL 88 HG22 VAL 88 -18.164 -0.710 -18.297 712 HG23 VAL 88 HG23 VAL 88 -19.271 -2.039 -17.866 713 HA PRO 89 HA PRO 89 -23.873 0.451 -20.981 714 HB2 PRO 89 HB2 PRO 89 -22.023 2.731 -21.654 715 HB3 PRO 89 HB3 PRO 89 -23.806 2.625 -21.827 716 HG2 PRO 89 HG2 PRO 89 -22.687 4.034 -19.796 717 HG3 PRO 89 HG3 PRO 89 -24.153 3.033 -19.534 718 HD2 PRO 89 HD2 PRO 89 -21.300 2.383 -18.832 719 HD3 PRO 89 HD3 PRO 89 -22.794 2.060 -17.931 720 H ARG 90 H ARG 90 -23.444 0.125 -23.280 721 HA ARG 90 HA ARG 90 -20.700 -0.535 -24.133 722 HB2 ARG 90 HB2 ARG 90 -23.119 -2.367 -24.408 723 HB3 ARG 90 HB3 ARG 90 -21.591 -2.537 -25.279 724 HG2 ARG 90 HG2 ARG 90 -20.393 -2.743 -23.067 725 HG3 ARG 90 HG3 ARG 90 -21.978 -2.753 -22.259 726 HD2 ARG 90 HD2 ARG 90 -22.629 -4.759 -23.566 727 HD3 ARG 90 HD3 ARG 90 -21.102 -4.665 -24.438 728 HE ARG 90 HE ARG 90 -19.925 -5.473 -22.617 729 HH11 ARG 90 HH21 ARG 90 -23.346 -5.088 -21.679 730 HH12 ARG 90 HH22 ARG 90 -23.203 -6.056 -20.257 731 HH21 ARG 90 HH11 ARG 90 -19.751 -6.754 -20.721 732 HH22 ARG 90 HH12 ARG 90 -21.126 -7.027 -19.709 Start of MODEL 11 1 H1 MET 1 H1 MET 1 6.459 0.587 -3.907 2 H2 MET 1 H2 MET 1 5.647 1.573 -4.931 3 H3 MET 1 H3 MET 1 5.026 1.293 -3.445 4 HA MET 1 HA MET 1 5.447 -0.691 -5.566 5 HB2 MET 1 HB2 MET 1 4.369 -2.353 -4.334 6 HB3 MET 1 HB3 MET 1 5.520 -1.637 -3.232 7 HG2 MET 1 HG2 MET 1 3.586 -0.278 -2.268 8 HG3 MET 1 HG3 MET 1 2.507 -1.277 -3.235 9 HE1 MET 1 HE1 MET 1 2.143 -3.798 -2.856 10 HE2 MET 1 HE2 MET 1 3.875 -4.186 -2.997 11 HE3 MET 1 HE3 MET 1 2.933 -4.794 -1.613 12 H GLU 2 H GLU 2 3.403 -1.606 -6.471 13 HA GLU 2 HA GLU 2 1.965 0.815 -7.461 14 HB2 GLU 2 HB2 GLU 2 3.896 -1.185 -8.557 15 HB3 GLU 2 HB3 GLU 2 2.557 -0.901 -9.613 16 HG2 GLU 2 HG2 GLU 2 4.426 0.559 -10.144 17 HG3 GLU 2 HG3 GLU 2 3.001 1.475 -9.690 18 H ILE 3 H ILE 3 0.145 0.188 -6.096 19 HA ILE 3 HA ILE 3 -1.143 -2.385 -6.272 20 HB ILE 3 HB ILE 3 -2.285 0.212 -5.254 21 HG12 ILE 3 HG12 ILE 3 -0.224 -0.095 -4.023 22 HG13 ILE 3 HG13 ILE 3 -1.606 -0.480 -3.028 23 HG21 ILE 3 HG21 ILE 3 -3.023 -2.703 -4.731 24 HG22 ILE 3 HG22 ILE 3 -3.606 -1.342 -3.743 25 HG23 ILE 3 HG23 ILE 3 -4.037 -1.436 -5.443 26 HD11 ILE 3 HD11 ILE 3 0.120 -2.028 -2.508 27 HD12 ILE 3 HD12 ILE 3 -1.147 -2.929 -3.350 28 HD13 ILE 3 HD13 ILE 3 0.341 -2.460 -4.213 29 H GLU 4 H GLU 4 -3.145 -2.925 -7.388 30 HA GLU 4 HA GLU 4 -4.412 -0.904 -9.127 31 HB2 GLU 4 HB2 GLU 4 -2.846 -2.356 -10.456 32 HB3 GLU 4 HB3 GLU 4 -3.664 -3.765 -9.816 33 HG2 GLU 4 HG2 GLU 4 -4.362 -3.227 -12.042 34 HG3 GLU 4 HG3 GLU 4 -5.728 -3.122 -10.956 35 H ARG 5 H ARG 5 -6.637 -1.387 -9.502 36 HA ARG 5 HA ARG 5 -7.959 -3.365 -7.674 37 HB2 ARG 5 HB2 ARG 5 -8.266 -1.005 -6.914 38 HB3 ARG 5 HB3 ARG 5 -8.921 -0.593 -8.485 39 HG2 ARG 5 HG2 ARG 5 -10.770 -0.864 -7.051 40 HG3 ARG 5 HG3 ARG 5 -10.786 -2.271 -8.101 41 HD2 ARG 5 HD2 ARG 5 -11.353 -2.916 -5.824 42 HD3 ARG 5 HD3 ARG 5 -9.813 -3.631 -6.259 43 HE ARG 5 HE ARG 5 -8.667 -2.160 -4.810 44 HH11 ARG 5 HH21 ARG 5 -12.248 -1.691 -4.503 45 HH12 ARG 5 HH22 ARG 5 -12.059 -0.569 -3.197 46 HH21 ARG 5 HH11 ARG 5 -8.547 -0.658 -3.053 47 HH22 ARG 5 HH12 ARG 5 -10.010 -0.056 -2.336 48 H ILE 6 H ILE 6 -8.011 -4.988 -9.348 49 HA ILE 6 HA ILE 6 -8.623 -4.483 -12.085 50 HB ILE 6 HB ILE 6 -9.081 -6.975 -10.405 51 HG12 ILE 6 HG12 ILE 6 -6.782 -6.372 -10.123 52 HG13 ILE 6 HG13 ILE 6 -6.914 -7.726 -11.205 53 HG21 ILE 6 HG21 ILE 6 -8.819 -6.691 -13.414 54 HG22 ILE 6 HG22 ILE 6 -8.854 -8.222 -12.502 55 HG23 ILE 6 HG23 ILE 6 -10.268 -7.163 -12.493 56 HD11 ILE 6 HD11 ILE 6 -5.206 -6.114 -11.984 57 HD12 ILE 6 HD12 ILE 6 -6.528 -6.270 -13.160 58 HD13 ILE 6 HD13 ILE 6 -6.440 -4.858 -12.089 59 H ASN 7 H ASN 7 -10.526 -5.656 -9.348 60 HA ASN 7 HA ASN 7 -12.915 -4.198 -10.027 61 HB2 ASN 7 HB2 ASN 7 -14.420 -5.988 -10.446 62 HB3 ASN 7 HB3 ASN 7 -13.099 -6.212 -11.550 63 HD21 ASN 7 HD22 ASN 7 -14.516 -8.395 -11.408 64 HD22 ASN 7 HD21 ASN 7 -13.791 -9.611 -10.370 65 H GLU 8 H GLU 8 -14.654 -5.584 -8.184 66 HA GLU 8 HA GLU 8 -13.315 -4.677 -5.789 67 HB2 GLU 8 HB2 GLU 8 -15.884 -4.539 -6.640 68 HB3 GLU 8 HB3 GLU 8 -16.010 -5.983 -5.636 69 HG2 GLU 8 HG2 GLU 8 -16.508 -4.187 -4.185 70 HG3 GLU 8 HG3 GLU 8 -14.843 -4.588 -3.787 71 H HIS 9 H HIS 9 -12.930 -7.561 -7.192 72 HA HIS 9 HA HIS 9 -12.870 -9.178 -4.649 73 HB2 HIS 9 HB2 HIS 9 -13.588 -9.992 -7.504 74 HB3 HIS 9 HB3 HIS 9 -13.546 -11.051 -6.120 75 HD1 HIS 9 HD1 HIS 9 -16.077 -9.615 -8.129 76 HD2 HIS 9 HD2 HIS 9 -15.296 -9.493 -3.989 77 HE1 HIS 9 HE1 HIS 9 -18.279 -9.038 -6.997 78 H THR 10 H THR 10 -11.367 -8.477 -7.770 79 HA THR 10 HA THR 10 -8.914 -9.916 -6.907 80 HB THR 10 HB THR 10 -9.731 -8.960 -9.671 81 HG1 THR 10 HG1 THR 10 -10.067 -11.191 -10.051 82 HG21 THR 10 HG21 THR 10 -7.377 -10.661 -8.758 83 HG22 THR 10 HG22 THR 10 -7.826 -10.339 -10.456 84 HG23 THR 10 HG23 THR 10 -7.291 -9.027 -9.403 85 H VAL 11 H VAL 11 -7.180 -8.774 -6.483 86 HA VAL 11 HA VAL 11 -6.897 -5.992 -7.471 87 HB VAL 11 HB VAL 11 -5.611 -5.435 -5.416 88 HG11 VAL 11 HG11 VAL 11 -7.931 -4.680 -5.676 89 HG12 VAL 11 HG12 VAL 11 -8.531 -6.152 -4.887 90 HG13 VAL 11 HG13 VAL 11 -7.549 -4.980 -3.979 91 HG21 VAL 11 HG21 VAL 11 -6.836 -7.947 -4.186 92 HG22 VAL 11 HG22 VAL 11 -5.114 -7.698 -4.564 93 HG23 VAL 11 HG23 VAL 11 -5.901 -6.695 -3.340 94 H LYS 12 H LYS 12 -4.562 -5.545 -7.850 95 HA LYS 12 HA LYS 12 -2.815 -7.780 -7.354 96 HB2 LYS 12 HB2 LYS 12 -1.877 -8.093 -9.439 97 HB3 LYS 12 HB3 LYS 12 -3.604 -8.125 -9.778 98 HG2 LYS 12 HG2 LYS 12 -3.482 -5.829 -10.621 99 HG3 LYS 12 HG3 LYS 12 -1.735 -5.799 -10.313 100 HD2 LYS 12 HD2 LYS 12 -1.468 -7.815 -11.789 101 HD3 LYS 12 HD3 LYS 12 -3.200 -7.724 -12.204 102 HE2 LYS 12 HE2 LYS 12 -2.900 -5.522 -13.202 103 HE3 LYS 12 HE3 LYS 12 -1.281 -5.411 -12.483 104 HZ1 LYS 12 HZ1 LYS 12 -0.470 -7.064 -13.960 105 HZ2 LYS 12 HZ2 LYS 12 -1.974 -7.381 -14.589 106 HZ3 LYS 12 HZ3 LYS 12 -1.235 -5.950 -14.880 107 H PHE 13 H PHE 13 -0.492 -6.997 -7.740 108 HA PHE 13 HA PHE 13 -0.240 -4.115 -7.915 109 HB2 PHE 13 HB2 PHE 13 1.080 -3.903 -5.833 110 HB3 PHE 13 HB3 PHE 13 -0.582 -4.361 -5.511 111 HD1 PHE 13 HD2 PHE 13 -1.230 -6.666 -4.908 112 HD2 PHE 13 HD1 PHE 13 2.862 -5.323 -5.064 113 HE1 PHE 13 HE2 PHE 13 -0.572 -8.499 -3.376 114 HE2 PHE 13 HE1 PHE 13 3.504 -7.100 -3.456 115 HZ PHE 13 HZ PHE 13 1.744 -8.659 -2.564 116 H TYR 14 H TYR 14 2.136 -3.555 -7.992 117 HA TYR 14 HA TYR 14 3.872 -5.862 -8.707 118 HB2 TYR 14 HB2 TYR 14 3.380 -4.705 -10.738 119 HB3 TYR 14 HB3 TYR 14 3.572 -3.143 -10.003 120 HD1 TYR 14 HD1 TYR 14 5.369 -6.224 -11.003 121 HD2 TYR 14 HD2 TYR 14 5.714 -2.140 -9.710 122 HE1 TYR 14 HE1 TYR 14 7.746 -6.322 -11.543 123 HE2 TYR 14 HE2 TYR 14 8.188 -2.218 -10.170 124 HH TYR 14 HH TYR 14 9.765 -5.054 -11.733 125 H MET 15 H MET 15 5.868 -5.804 -7.749 126 HA MET 15 HA MET 15 6.432 -3.697 -5.712 127 HB2 MET 15 HB2 MET 15 5.263 -5.805 -4.819 128 HB3 MET 15 HB3 MET 15 6.653 -6.721 -5.379 129 HG2 MET 15 HG2 MET 15 8.088 -5.496 -3.886 130 HG3 MET 15 HG3 MET 15 6.747 -4.476 -3.398 131 HE1 MET 15 HE1 MET 15 5.734 -4.922 -1.006 132 HE2 MET 15 HE2 MET 15 6.485 -6.246 -0.088 133 HE3 MET 15 HE3 MET 15 7.516 -5.058 -0.941 134 H SER 16 H SER 16 8.444 -2.902 -6.283 135 HA SER 16 HA SER 16 10.214 -4.411 -8.056 136 HB2 SER 16 HB2 SER 16 10.854 -1.931 -6.456 137 HB3 SER 16 HB3 SER 16 11.649 -2.499 -7.936 138 HG SER 16 HG SER 16 10.147 -0.763 -8.311 139 H TYR 17 H TYR 17 12.362 -5.182 -7.389 140 HA TYR 17 HA TYR 17 12.618 -6.490 -4.925 141 HB2 TYR 17 HB2 TYR 17 14.836 -5.274 -6.600 142 HB3 TYR 17 HB3 TYR 17 15.062 -6.469 -5.329 143 HD1 TYR 17 HD2 TYR 17 12.450 -8.157 -6.203 144 HD2 TYR 17 HD1 TYR 17 15.946 -6.617 -8.233 145 HE1 TYR 17 HE2 TYR 17 12.332 -10.005 -7.788 146 HE2 TYR 17 HE1 TYR 17 15.802 -8.448 -9.865 147 HH TYR 17 HH TYR 17 13.310 -11.045 -9.689 148 H GLY 18 H GLY 18 13.572 -3.110 -5.687 149 HA2 GLY 18 HA2 GLY 18 14.866 -2.610 -3.228 150 HA3 GLY 18 HA3 GLY 18 14.178 -1.418 -4.303 151 H ASP 19 H ASP 19 11.378 -2.694 -3.984 152 HA ASP 19 HA ASP 19 10.527 -1.203 -1.632 153 HB2 ASP 19 HB2 ASP 19 9.255 -2.695 -3.852 154 HB3 ASP 19 HB3 ASP 19 8.478 -3.033 -2.336 155 H ILE 20 H ILE 20 11.373 -4.534 -2.391 156 HA ILE 20 HA ILE 20 10.376 -5.664 0.106 157 HB ILE 20 HB ILE 20 11.971 -6.675 -2.287 158 HG12 ILE 20 HG12 ILE 20 9.223 -7.568 -1.351 159 HG13 ILE 20 HG13 ILE 20 9.411 -6.080 -2.252 160 HG21 ILE 20 HG21 ILE 20 11.801 -8.940 -1.485 161 HG22 ILE 20 HG22 ILE 20 12.686 -7.974 -0.291 162 HG23 ILE 20 HG23 ILE 20 10.979 -8.411 -0.010 163 HD11 ILE 20 HD11 ILE 20 10.125 -8.828 -3.285 164 HD12 ILE 20 HD12 ILE 20 8.789 -7.756 -3.793 165 HD13 ILE 20 HD13 ILE 20 10.453 -7.290 -4.131 166 H GLU 21 H GLU 21 13.544 -4.745 -1.296 167 HA GLU 21 HA GLU 21 15.262 -5.314 0.848 168 HB2 GLU 21 HB2 GLU 21 15.266 -3.064 -1.166 169 HB3 GLU 21 HB3 GLU 21 16.606 -3.350 -0.090 170 HG2 GLU 21 HG2 GLU 21 15.627 -5.651 -1.792 171 HG3 GLU 21 HG3 GLU 21 16.480 -4.322 -2.519 172 H ASP 22 H ASP 22 13.264 -2.407 0.214 173 HA ASP 22 HA ASP 22 14.221 -0.753 2.285 174 HB2 ASP 22 HB2 ASP 22 12.730 -0.018 0.445 175 HB3 ASP 22 HB3 ASP 22 11.402 -0.904 1.160 176 H ARG 23 H ARG 23 11.561 -3.040 2.234 177 HA ARG 23 HA ARG 23 10.808 -2.742 5.027 178 HB2 ARG 23 HB2 ARG 23 10.191 -4.853 2.918 179 HB3 ARG 23 HB3 ARG 23 9.457 -4.818 4.537 180 HG2 ARG 23 HG2 ARG 23 8.298 -2.811 4.134 181 HG3 ARG 23 HG3 ARG 23 9.262 -2.429 2.704 182 HD2 ARG 23 HD2 ARG 23 8.264 -4.269 1.444 183 HD3 ARG 23 HD3 ARG 23 7.378 -4.813 2.873 184 HE ARG 23 HE ARG 23 5.850 -3.138 2.650 185 HH11 ARG 23 HH11 ARG 23 8.621 -2.296 0.551 186 HH12 ARG 23 HH12 ARG 23 7.772 -1.043 -0.295 187 HH21 ARG 23 HH21 ARG 23 4.783 -1.475 1.630 188 HH22 ARG 23 HH22 ARG 23 5.554 -0.476 0.417 189 H GLY 24 H GLY 24 13.553 -4.077 3.611 190 HA2 GLY 24 HA2 GLY 24 15.297 -5.182 4.538 191 HA3 GLY 24 HA3 GLY 24 14.408 -5.288 6.059 192 H PHE 25 H PHE 25 12.720 -6.502 3.312 193 HA PHE 25 HA PHE 25 13.257 -9.347 4.018 194 HB2 PHE 25 HB2 PHE 25 11.260 -8.045 2.129 195 HB3 PHE 25 HB3 PHE 25 11.468 -9.788 2.309 196 HD1 PHE 25 HD2 PHE 25 10.627 -6.692 4.185 197 HD2 PHE 25 HD1 PHE 25 10.128 -10.971 3.988 198 HE1 PHE 25 HE2 PHE 25 9.168 -6.602 6.167 199 HE2 PHE 25 HE1 PHE 25 8.703 -10.880 5.978 200 HZ PHE 25 HZ PHE 25 8.200 -8.706 7.095 201 H ASP 26 H ASP 26 13.282 -10.568 1.558 202 HA ASP 26 HA ASP 26 15.251 -9.183 -0.166 203 HB2 ASP 26 HB2 ASP 26 16.317 -10.899 1.630 204 HB3 ASP 26 HB3 ASP 26 15.640 -12.071 0.551 205 H ARG 27 H ARG 27 15.016 -9.973 -2.380 206 HA ARG 27 HA ARG 27 12.463 -11.012 -3.058 207 HB2 ARG 27 HB2 ARG 27 13.300 -11.284 -5.305 208 HB3 ARG 27 HB3 ARG 27 13.888 -9.756 -4.645 209 HG2 ARG 27 HG2 ARG 27 16.116 -10.774 -4.241 210 HG3 ARG 27 HG3 ARG 27 15.530 -12.319 -4.886 211 HD2 ARG 27 HD2 ARG 27 15.102 -11.291 -7.059 212 HD3 ARG 27 HD3 ARG 27 15.701 -9.727 -6.454 213 HE ARG 27 HE ARG 27 17.807 -11.253 -5.892 214 HH11 ARG 27 HH11 ARG 27 15.959 -11.079 -8.956 215 HH12 ARG 27 HH12 ARG 27 17.297 -11.585 -9.922 216 HH21 ARG 27 HH21 ARG 27 19.559 -11.899 -7.205 217 HH22 ARG 27 HH22 ARG 27 19.382 -12.025 -8.915 218 H GLU 28 H GLU 28 15.529 -12.712 -2.318 219 HA GLU 28 HA GLU 28 14.447 -15.300 -3.168 220 HB2 GLU 28 HB2 GLU 28 16.891 -14.524 -1.564 221 HB3 GLU 28 HB3 GLU 28 16.471 -16.178 -1.965 222 HG2 GLU 28 HG2 GLU 28 16.482 -15.542 -4.409 223 HG3 GLU 28 HG3 GLU 28 17.097 -13.958 -3.941 224 H GLU 29 H GLU 29 14.943 -13.546 -0.092 225 HA GLU 29 HA GLU 29 14.256 -15.702 1.594 226 HB2 GLU 29 HB2 GLU 29 14.145 -12.679 1.943 227 HB3 GLU 29 HB3 GLU 29 13.860 -13.710 3.283 228 HG2 GLU 29 HG2 GLU 29 16.424 -14.045 1.710 229 HG3 GLU 29 HG3 GLU 29 16.202 -12.785 2.908 230 H ILE 30 H ILE 30 12.277 -13.214 0.149 231 HA ILE 30 HA ILE 30 9.745 -13.880 1.286 232 HB ILE 30 HB ILE 30 10.454 -12.901 -1.492 233 HG12 ILE 30 HG12 ILE 30 10.898 -11.476 0.696 234 HG13 ILE 30 HG13 ILE 30 10.329 -10.804 -0.804 235 HG21 ILE 30 HG21 ILE 30 8.092 -12.126 -1.695 236 HG22 ILE 30 HG22 ILE 30 8.261 -13.876 -1.721 237 HG23 ILE 30 HG23 ILE 30 7.686 -13.080 -0.241 238 HD11 ILE 30 HD11 ILE 30 8.034 -10.595 0.137 239 HD12 ILE 30 HD12 ILE 30 8.556 -11.471 1.603 240 HD13 ILE 30 HD13 ILE 30 9.197 -9.862 1.225 241 H TRP 31 H TRP 31 11.485 -15.391 -1.546 242 HA TRP 31 HA TRP 31 9.293 -17.201 -2.068 243 HB2 TRP 31 HB2 TRP 31 12.191 -17.432 -2.877 244 HB3 TRP 31 HB3 TRP 31 10.886 -18.421 -3.483 245 HD1 TRP 31 HD1 TRP 31 12.937 -16.002 -4.817 246 HE1 TRP 31 HE1 TRP 31 11.876 -14.503 -6.582 247 HE3 TRP 31 HE3 TRP 31 7.998 -16.985 -3.839 248 HZ2 TRP 31 HZ2 TRP 31 9.206 -13.748 -7.417 249 HZ3 TRP 31 HZ3 TRP 31 6.234 -15.909 -5.173 250 HH2 TRP 31 HH2 TRP 31 6.810 -14.300 -6.992 251 H TYR 32 H TYR 32 11.907 -17.282 0.252 252 HA TYR 32 HA TYR 32 11.652 -20.231 0.523 253 HB2 TYR 32 HB2 TYR 32 13.993 -18.365 1.010 254 HB3 TYR 32 HB3 TYR 32 14.043 -20.108 1.167 255 HD1 TYR 32 HD2 TYR 32 12.644 -21.174 -1.165 256 HD2 TYR 32 HD1 TYR 32 15.370 -17.851 -0.827 257 HE1 TYR 32 HE2 TYR 32 13.176 -21.378 -3.552 258 HE2 TYR 32 HE1 TYR 32 15.843 -17.980 -3.236 259 HH TYR 32 HH TYR 32 14.363 -20.481 -5.379 260 H ASN 33 H ASN 33 10.572 -17.645 2.301 261 HA ASN 33 HA ASN 33 10.731 -19.175 4.855 262 HB2 ASN 33 HB2 ASN 33 11.077 -16.192 4.351 263 HB3 ASN 33 HB3 ASN 33 10.871 -16.915 5.923 264 HD21 ASN 33 HD22 ASN 33 12.959 -16.434 3.223 265 HD22 ASN 33 HD21 ASN 33 14.485 -16.804 4.023 266 H ARG 34 H ARG 34 8.571 -19.970 4.229 267 HA ARG 34 HA ARG 34 6.608 -18.607 2.925 268 HB2 ARG 34 HB2 ARG 34 6.516 -20.969 3.360 269 HB3 ARG 34 HB3 ARG 34 6.281 -20.702 5.098 270 HG2 ARG 34 HG2 ARG 34 4.082 -19.779 4.757 271 HG3 ARG 34 HG3 ARG 34 4.317 -19.675 3.004 272 HD2 ARG 34 HD2 ARG 34 4.422 -22.144 2.873 273 HD3 ARG 34 HD3 ARG 34 4.251 -22.243 4.640 274 HE ARG 34 HE ARG 34 2.077 -20.735 3.639 275 HH11 ARG 34 HH11 ARG 34 3.241 -24.093 3.514 276 HH12 ARG 34 HH12 ARG 34 1.669 -24.784 3.309 277 HH21 ARG 34 HH21 ARG 34 -0.018 -21.643 3.365 278 HH22 ARG 34 HH22 ARG 34 -0.225 -23.355 3.228 279 H GLU 35 H GLU 35 7.129 -18.362 6.472 280 HA GLU 35 HA GLU 35 4.638 -16.898 6.780 281 HB2 GLU 35 HB2 GLU 35 5.289 -16.616 9.093 282 HB3 GLU 35 HB3 GLU 35 5.415 -18.300 8.623 283 HG2 GLU 35 HG2 GLU 35 7.820 -16.436 8.799 284 HG3 GLU 35 HG3 GLU 35 7.219 -17.373 10.154 285 H ARG 36 H ARG 36 7.988 -16.072 6.096 286 HA ARG 36 HA ARG 36 7.602 -13.224 6.695 287 HB2 ARG 36 HB2 ARG 36 9.881 -14.713 5.386 288 HB3 ARG 36 HB3 ARG 36 9.834 -13.012 5.713 289 HG2 ARG 36 HG2 ARG 36 10.028 -15.286 7.696 290 HG3 ARG 36 HG3 ARG 36 11.090 -13.895 7.482 291 HD2 ARG 36 HD2 ARG 36 9.281 -12.403 8.377 292 HD3 ARG 36 HD3 ARG 36 8.287 -13.847 8.676 293 HE ARG 36 HE ARG 36 10.899 -14.033 9.897 294 HH11 ARG 36 HH21 ARG 36 7.610 -12.658 10.360 295 HH12 ARG 36 HH22 ARG 36 7.756 -12.621 12.082 296 HH21 ARG 36 HH11 ARG 36 11.038 -13.973 12.188 297 HH22 ARG 36 HH12 ARG 36 9.734 -13.362 13.139 298 H SER 37 H SER 37 7.122 -15.489 4.006 299 HA SER 37 HA SER 37 6.937 -13.439 1.995 300 HB2 SER 37 HB2 SER 37 5.022 -15.736 1.900 301 HB3 SER 37 HB3 SER 37 6.001 -15.040 0.621 302 HG SER 37 HG SER 37 7.697 -16.253 1.230 303 H GLU 38 H GLU 38 4.558 -14.981 4.224 304 HA GLU 38 HA GLU 38 2.281 -13.817 3.338 305 HB2 GLU 38 HB2 GLU 38 2.869 -15.655 5.165 306 HB3 GLU 38 HB3 GLU 38 2.640 -14.305 6.287 307 HG2 GLU 38 HG2 GLU 38 0.414 -13.906 5.243 308 HG3 GLU 38 HG3 GLU 38 0.657 -15.291 4.189 309 H GLU 39 H GLU 39 4.641 -12.239 5.508 310 HA GLU 39 HA GLU 39 3.051 -10.237 6.613 311 HB2 GLU 39 HB2 GLU 39 5.857 -9.633 5.690 312 HB3 GLU 39 HB3 GLU 39 5.094 -9.205 7.199 313 HG2 GLU 39 HG2 GLU 39 6.080 -11.960 6.472 314 HG3 GLU 39 HG3 GLU 39 6.972 -10.772 7.324 315 H LEU 40 H LEU 40 4.561 -10.424 3.436 316 HA LEU 40 HA LEU 40 4.144 -7.704 2.638 317 HB2 LEU 40 HB2 LEU 40 5.763 -8.851 1.491 318 HB3 LEU 40 HB3 LEU 40 4.787 -10.266 1.241 319 HG LEU 40 HG LEU 40 5.417 -8.696 -0.724 320 HD11 LEU 40 HD11 LEU 40 3.594 -9.500 -1.981 321 HD12 LEU 40 HD12 LEU 40 4.132 -10.732 -0.879 322 HD13 LEU 40 HD13 LEU 40 2.628 -9.840 -0.537 323 HD21 LEU 40 HD21 LEU 40 4.224 -6.653 0.432 324 HD22 LEU 40 HD22 LEU 40 4.055 -6.922 -1.306 325 HD23 LEU 40 HD23 LEU 40 2.745 -7.391 -0.257 326 H PHE 41 H PHE 41 2.226 -10.667 2.208 327 HA PHE 41 HA PHE 41 0.176 -9.437 0.665 328 HB2 PHE 41 HB2 PHE 41 0.055 -11.963 2.356 329 HB3 PHE 41 HB3 PHE 41 -1.061 -11.526 1.076 330 HD1 PHE 41 HD2 PHE 41 2.470 -12.365 1.824 331 HD2 PHE 41 HD1 PHE 41 -0.454 -11.881 -1.285 332 HE1 PHE 41 HE2 PHE 41 4.077 -13.297 0.195 333 HE2 PHE 41 HE1 PHE 41 1.143 -12.851 -2.921 334 HZ PHE 41 HZ PHE 41 3.399 -13.581 -2.196 335 H TRP 42 H TRP 42 0.607 -10.082 4.157 336 HA TRP 42 HA TRP 42 -1.872 -8.985 5.010 337 HB2 TRP 42 HB2 TRP 42 0.828 -9.375 6.308 338 HB3 TRP 42 HB3 TRP 42 -0.426 -8.491 7.142 339 HD1 TRP 42 HD1 TRP 42 0.767 -11.919 6.666 340 HE1 TRP 42 HE1 TRP 42 -0.909 -13.671 7.421 341 HE3 TRP 42 HE3 TRP 42 -3.329 -8.885 7.145 342 HZ2 TRP 42 HZ2 TRP 42 -3.760 -13.760 8.096 343 HZ3 TRP 42 HZ3 TRP 42 -5.528 -9.841 7.786 344 HH2 TRP 42 HH2 TRP 42 -5.754 -12.269 8.257 345 H GLU 43 H GLU 43 1.169 -7.265 3.974 346 HA GLU 43 HA GLU 43 0.292 -4.798 5.155 347 HB2 GLU 43 HB2 GLU 43 2.701 -5.491 4.506 348 HB3 GLU 43 HB3 GLU 43 2.232 -5.115 2.834 349 HG2 GLU 43 HG2 GLU 43 1.462 -2.833 3.720 350 HG3 GLU 43 HG3 GLU 43 2.244 -3.247 5.245 351 H VAL 44 H VAL 44 -0.039 -6.303 1.845 352 HA VAL 44 HA VAL 44 -1.132 -3.893 0.744 353 HB VAL 44 HB VAL 44 -1.849 -5.424 -1.074 354 HG11 VAL 44 HG11 VAL 44 1.090 -5.635 -0.276 355 HG12 VAL 44 HG12 VAL 44 0.445 -5.659 -1.930 356 HG13 VAL 44 HG13 VAL 44 0.366 -4.164 -0.986 357 HG21 VAL 44 HG21 VAL 44 -0.838 -7.627 -1.281 358 HG22 VAL 44 HG22 VAL 44 -0.196 -7.475 0.351 359 HG23 VAL 44 HG23 VAL 44 -1.966 -7.592 0.068 360 H MET 45 H MET 45 -2.561 -6.854 2.073 361 HA MET 45 HA MET 45 -5.294 -6.138 1.772 362 HB2 MET 45 HB2 MET 45 -3.790 -7.747 3.878 363 HB3 MET 45 HB3 MET 45 -5.532 -7.622 3.838 364 HG2 MET 45 HG2 MET 45 -4.003 -8.631 1.412 365 HG3 MET 45 HG3 MET 45 -4.355 -9.652 2.788 366 HE1 MET 45 HE1 MET 45 -6.619 -7.070 0.447 367 HE2 MET 45 HE2 MET 45 -5.643 -8.197 -0.537 368 HE3 MET 45 HE3 MET 45 -7.408 -8.384 -0.437 369 H ASP 46 H ASP 46 -2.902 -5.328 4.376 370 HA ASP 46 HA ASP 46 -4.723 -3.893 6.008 371 HB2 ASP 46 HB2 ASP 46 -2.534 -4.546 6.805 372 HB3 ASP 46 HB3 ASP 46 -1.742 -3.471 5.663 373 H GLU 47 H GLU 47 -2.677 -2.795 3.248 374 HA GLU 47 HA GLU 47 -3.373 -0.059 3.319 375 HB2 GLU 47 HB2 GLU 47 -1.402 -0.719 2.227 376 HB3 GLU 47 HB3 GLU 47 -2.159 -2.073 1.431 377 HG2 GLU 47 HG2 GLU 47 -1.565 -0.553 -0.165 378 HG3 GLU 47 HG3 GLU 47 -3.314 -0.687 -0.112 379 H VAL 48 H VAL 48 -5.308 -2.784 2.571 380 HA VAL 48 HA VAL 48 -7.274 -1.165 1.012 381 HB VAL 48 HB VAL 48 -6.750 -4.167 1.132 382 HG11 VAL 48 HG11 VAL 48 -8.929 -2.689 -0.407 383 HG12 VAL 48 HG12 VAL 48 -8.429 -4.371 -0.722 384 HG13 VAL 48 HG13 VAL 48 -9.146 -3.950 0.820 385 HG21 VAL 48 HG21 VAL 48 -6.144 -4.007 -1.186 386 HG22 VAL 48 HG22 VAL 48 -6.593 -2.285 -1.259 387 HG23 VAL 48 HG23 VAL 48 -5.182 -2.806 -0.331 388 H HIS 49 H HIS 49 -6.591 -2.208 4.171 389 HA HIS 49 HA HIS 49 -8.704 -3.694 4.881 390 HB2 HIS 49 HB2 HIS 49 -6.676 -3.171 6.234 391 HB3 HIS 49 HB3 HIS 49 -7.496 -1.720 6.813 392 HD1 HIS 49 HD1 HIS 49 -8.988 -2.205 8.971 393 HD2 HIS 49 HD2 HIS 49 -8.130 -5.564 6.586 394 HE1 HIS 49 HE1 HIS 49 -9.980 -4.210 10.184 395 H GLU 50 H GLU 50 -8.944 -0.143 4.624 396 HA GLU 50 HA GLU 50 -11.377 0.083 6.106 397 HB2 GLU 50 HB2 GLU 50 -10.228 1.801 3.856 398 HB3 GLU 50 HB3 GLU 50 -11.620 2.254 4.849 399 HG2 GLU 50 HG2 GLU 50 -10.203 2.123 6.899 400 HG3 GLU 50 HG3 GLU 50 -8.794 1.782 5.888 401 H GLU 51 H GLU 51 -10.809 -1.317 3.027 402 HA GLU 51 HA GLU 51 -13.721 -1.387 2.401 403 HB2 GLU 51 HB2 GLU 51 -11.254 -1.656 0.647 404 HB3 GLU 51 HB3 GLU 51 -12.899 -2.040 0.122 405 HG2 GLU 51 HG2 GLU 51 -13.642 0.245 0.562 406 HG3 GLU 51 HG3 GLU 51 -12.082 0.678 1.232 407 H GLU 52 H GLU 52 -10.662 -3.276 2.767 408 HA GLU 52 HA GLU 52 -11.674 -5.846 2.245 409 HB2 GLU 52 HB2 GLU 52 -9.254 -4.647 3.083 410 HB3 GLU 52 HB3 GLU 52 -9.638 -5.812 4.337 411 HG2 GLU 52 HG2 GLU 52 -9.589 -6.415 1.350 412 HG3 GLU 52 HG3 GLU 52 -8.182 -6.526 2.392 413 H GLU 53 H GLU 53 -12.027 -3.812 5.189 414 HA GLU 53 HA GLU 53 -12.866 -5.809 6.959 415 HB2 GLU 53 HB2 GLU 53 -13.995 -4.073 8.198 416 HB3 GLU 53 HB3 GLU 53 -12.408 -3.533 7.664 417 HG2 GLU 53 HG2 GLU 53 -13.456 -2.199 5.856 418 HG3 GLU 53 HG3 GLU 53 -15.046 -2.808 6.306 419 H PHE 54 H PHE 54 -14.554 -4.598 4.122 420 HA PHE 54 HA PHE 54 -17.184 -5.569 4.985 421 HB2 PHE 54 HB2 PHE 54 -16.735 -3.500 3.555 422 HB3 PHE 54 HB3 PHE 54 -16.276 -4.587 2.256 423 HD1 PHE 54 HD1 PHE 54 -19.110 -3.853 4.630 424 HD2 PHE 54 HD2 PHE 54 -17.956 -5.321 0.738 425 HE1 PHE 54 HE1 PHE 54 -21.502 -3.986 3.965 426 HE2 PHE 54 HE2 PHE 54 -20.343 -5.442 0.080 427 HZ PHE 54 HZ PHE 54 -22.119 -4.779 1.689 428 H ALA 55 H ALA 55 -14.359 -7.023 3.736 429 HA ALA 55 HA ALA 55 -15.870 -9.272 2.507 430 HB1 ALA 55 HB1 ALA 55 -15.076 -7.661 0.758 431 HB2 ALA 55 HB2 ALA 55 -13.409 -7.899 1.334 432 HB3 ALA 55 HB3 ALA 55 -14.320 -9.253 0.627 433 H VAL 56 H VAL 56 -13.927 -8.591 5.024 434 HA VAL 56 HA VAL 56 -12.344 -11.029 4.834 435 HB VAL 56 HB VAL 56 -11.320 -9.091 5.788 436 HG11 VAL 56 HG11 VAL 56 -11.898 -8.072 7.865 437 HG12 VAL 56 HG12 VAL 56 -13.326 -8.011 6.815 438 HG13 VAL 56 HG13 VAL 56 -13.249 -9.189 8.129 439 HG21 VAL 56 HG21 VAL 56 -10.378 -10.157 7.759 440 HG22 VAL 56 HG22 VAL 56 -11.773 -11.264 7.862 441 HG23 VAL 56 HG23 VAL 56 -10.669 -11.353 6.479 442 H GLU 57 H GLU 57 -14.447 -12.025 4.266 443 HA GLU 57 HA GLU 57 -15.584 -13.452 6.568 444 HB2 GLU 57 HB2 GLU 57 -17.886 -12.750 5.908 445 HB3 GLU 57 HB3 GLU 57 -16.944 -11.486 6.653 446 HG2 GLU 57 HG2 GLU 57 -16.718 -10.236 4.718 447 HG3 GLU 57 HG3 GLU 57 -16.905 -11.605 3.647 448 H GLY 58 H GLY 58 -13.901 -14.172 4.370 449 HA2 GLY 58 HA2 GLY 58 -15.206 -16.362 3.095 450 HA3 GLY 58 HA3 GLY 58 -15.085 -14.982 1.990 451 HA PRO 59 HA PRO 59 -11.089 -17.445 2.217 452 HB2 PRO 59 HB2 PRO 59 -10.895 -18.229 -0.396 453 HB3 PRO 59 HB3 PRO 59 -11.869 -19.090 0.826 454 HG2 PRO 59 HG2 PRO 59 -12.828 -17.047 -1.201 455 HG3 PRO 59 HG3 PRO 59 -13.522 -18.653 -0.794 456 HD2 PRO 59 HD2 PRO 59 -14.501 -16.361 0.268 457 HD3 PRO 59 HD3 PRO 59 -14.439 -17.900 1.186 458 H LEU 60 H LEU 60 -9.063 -17.123 0.848 459 HA LEU 60 HA LEU 60 -8.895 -14.617 -0.677 460 HB2 LEU 60 HB2 LEU 60 -8.116 -14.179 1.754 461 HB3 LEU 60 HB3 LEU 60 -6.860 -15.391 1.443 462 HG LEU 60 HG LEU 60 -5.915 -13.972 -0.361 463 HD11 LEU 60 HD11 LEU 60 -6.679 -11.584 -0.544 464 HD12 LEU 60 HD12 LEU 60 -7.893 -12.719 -1.125 465 HD13 LEU 60 HD13 LEU 60 -8.063 -11.972 0.486 466 HD21 LEU 60 HD21 LEU 60 -4.974 -12.232 1.077 467 HD22 LEU 60 HD22 LEU 60 -6.260 -12.488 2.274 468 HD23 LEU 60 HD23 LEU 60 -5.077 -13.769 1.950 469 H TRP 61 H TRP 61 -7.211 -14.783 -2.241 470 HA TRP 61 HA TRP 61 -6.016 -17.468 -2.663 471 HB2 TRP 61 HB2 TRP 61 -7.734 -15.718 -4.410 472 HB3 TRP 61 HB3 TRP 61 -6.921 -17.077 -5.084 473 HD1 TRP 61 HD1 TRP 61 -9.906 -16.002 -3.016 474 HE1 TRP 61 HE1 TRP 61 -11.627 -17.926 -2.883 475 HE3 TRP 61 HE3 TRP 61 -7.084 -19.703 -5.035 476 HZ2 TRP 61 HZ2 TRP 61 -11.708 -20.763 -3.512 477 HZ3 TRP 61 HZ3 TRP 61 -7.976 -22.031 -5.264 478 HH2 TRP 61 HH2 TRP 61 -10.282 -22.561 -4.504 479 H ILE 62 H ILE 62 -4.149 -17.335 -4.119 480 HA ILE 62 HA ILE 62 -3.076 -14.589 -4.548 481 HB ILE 62 HB ILE 62 -1.371 -16.887 -3.567 482 HG12 ILE 62 HG12 ILE 62 -3.009 -16.678 -1.750 483 HG13 ILE 62 HG13 ILE 62 -1.379 -16.260 -1.295 484 HG21 ILE 62 HG21 ILE 62 -0.183 -15.003 -4.527 485 HG22 ILE 62 HG22 ILE 62 -1.049 -13.860 -3.479 486 HG23 ILE 62 HG23 ILE 62 0.101 -15.045 -2.788 487 HD11 ILE 62 HD11 ILE 62 -2.994 -14.774 -0.236 488 HD12 ILE 62 HD12 ILE 62 -1.924 -13.861 -1.302 489 HD13 ILE 62 HD13 ILE 62 -3.585 -14.231 -1.808 490 H GLN 63 H GLN 63 -1.841 -14.392 -6.431 491 HA GLN 63 HA GLN 63 -0.625 -16.782 -7.624 492 HB2 GLN 63 HB2 GLN 63 -2.771 -16.551 -8.828 493 HB3 GLN 63 HB3 GLN 63 -2.405 -14.882 -9.235 494 HG2 GLN 63 HG2 GLN 63 -0.532 -15.567 -10.638 495 HG3 GLN 63 HG3 GLN 63 -0.734 -17.259 -10.154 496 HE21 GLN 63 HE22 GLN 63 -1.082 -15.568 -12.846 497 HE22 GLN 63 HE21 GLN 63 -2.591 -16.194 -13.464 498 H VAL 64 H VAL 64 1.367 -16.093 -8.855 499 HA VAL 64 HA VAL 64 2.247 -13.316 -8.193 500 HB VAL 64 HB VAL 64 2.455 -15.017 -6.269 501 HG11 VAL 64 HG11 VAL 64 4.884 -15.973 -7.818 502 HG12 VAL 64 HG12 VAL 64 4.310 -16.505 -6.224 503 HG13 VAL 64 HG13 VAL 64 3.367 -16.890 -7.659 504 HG21 VAL 64 HG21 VAL 64 3.459 -12.920 -6.065 505 HG22 VAL 64 HG22 VAL 64 4.662 -14.090 -5.581 506 HG23 VAL 64 HG23 VAL 64 4.779 -13.298 -7.178 507 H GLN 65 H GLN 65 4.241 -12.687 -9.251 508 HA GLN 65 HA GLN 65 5.371 -14.629 -11.221 509 HB2 GLN 65 HB2 GLN 65 4.595 -11.712 -11.706 510 HB3 GLN 65 HB3 GLN 65 5.794 -12.558 -12.676 511 HG2 GLN 65 HG2 GLN 65 4.058 -12.879 -14.046 512 HG3 GLN 65 HG3 GLN 65 3.874 -14.315 -13.055 513 HE21 GLN 65 HE22 GLN 65 2.037 -14.454 -11.672 514 HE22 GLN 65 HE21 GLN 65 0.676 -13.333 -11.818 515 H ALA 66 H ALA 66 7.598 -14.299 -11.551 516 HA ALA 66 HA ALA 66 8.937 -12.152 -9.962 517 HB1 ALA 66 HB1 ALA 66 9.795 -14.471 -9.467 518 HB2 ALA 66 HB2 ALA 66 10.207 -14.643 -11.185 519 HB3 ALA 66 HB3 ALA 66 11.000 -13.395 -10.200 520 H LEU 67 H LEU 67 9.750 -10.551 -11.187 521 HA LEU 67 HA LEU 67 9.927 -10.800 -14.155 522 HB2 LEU 67 HB2 LEU 67 9.050 -8.421 -12.442 523 HB3 LEU 67 HB3 LEU 67 9.252 -8.400 -14.174 524 HG LEU 67 HG LEU 67 7.526 -10.527 -13.971 525 HD11 LEU 67 HD11 LEU 67 5.724 -9.874 -12.446 526 HD12 LEU 67 HD12 LEU 67 7.175 -10.432 -11.618 527 HD13 LEU 67 HD13 LEU 67 6.840 -8.681 -11.722 528 HD21 LEU 67 HD21 LEU 67 7.215 -8.497 -15.404 529 HD22 LEU 67 HD22 LEU 67 5.726 -8.956 -14.560 530 HD23 LEU 67 HD23 LEU 67 6.689 -7.589 -13.960 531 H ASP 68 H ASP 68 11.349 -8.726 -14.870 532 HA ASP 68 HA ASP 68 13.890 -9.635 -14.288 533 HB2 ASP 68 HB2 ASP 68 13.198 -8.427 -16.330 534 HB3 ASP 68 HB3 ASP 68 13.183 -6.911 -15.415 535 H LYS 69 H LYS 69 12.243 -6.941 -12.668 536 HA LYS 69 HA LYS 69 14.454 -6.818 -10.702 537 HB2 LYS 69 HB2 LYS 69 13.270 -4.433 -12.085 538 HB3 LYS 69 HB3 LYS 69 14.342 -4.316 -10.698 539 HG2 LYS 69 HG2 LYS 69 15.114 -5.510 -13.379 540 HG3 LYS 69 HG3 LYS 69 15.452 -3.880 -12.857 541 HD2 LYS 69 HD2 LYS 69 16.829 -4.691 -10.984 542 HD3 LYS 69 HD3 LYS 69 16.510 -6.364 -11.408 543 HE2 LYS 69 HE2 LYS 69 17.861 -4.369 -13.275 544 HE3 LYS 69 HE3 LYS 69 18.731 -5.460 -12.190 545 HZ1 LYS 69 HZ1 LYS 69 18.581 -6.410 -14.383 546 HZ2 LYS 69 HZ2 LYS 69 17.701 -7.337 -13.361 547 HZ3 LYS 69 HZ3 LYS 69 16.944 -6.327 -14.411 548 H GLY 70 H GLY 70 11.632 -7.948 -10.649 549 HA2 GLY 70 HA2 GLY 70 10.764 -6.965 -8.115 550 HA3 GLY 70 HA3 GLY 70 9.848 -6.155 -9.378 551 H LEU 71 H LEU 71 8.114 -7.341 -8.169 552 HA LEU 71 HA LEU 71 7.486 -9.947 -9.512 553 HB2 LEU 71 HB2 LEU 71 6.904 -9.083 -6.615 554 HB3 LEU 71 HB3 LEU 71 6.130 -10.427 -7.419 555 HG LEU 71 HG LEU 71 8.278 -11.648 -7.523 556 HD11 LEU 71 HD11 LEU 71 9.991 -9.978 -7.383 557 HD12 LEU 71 HD12 LEU 71 9.303 -9.301 -5.877 558 HD13 LEU 71 HD13 LEU 71 10.076 -10.914 -5.900 559 HD21 LEU 71 HD21 LEU 71 8.283 -12.210 -5.118 560 HD22 LEU 71 HD22 LEU 71 7.451 -10.699 -4.739 561 HD23 LEU 71 HD23 LEU 71 6.626 -11.964 -5.682 562 H GLU 72 H GLU 72 5.397 -9.966 -10.288 563 HA GLU 72 HA GLU 72 3.521 -7.798 -9.491 564 HB2 GLU 72 HB2 GLU 72 3.370 -9.740 -11.826 565 HB3 GLU 72 HB3 GLU 72 1.956 -8.952 -11.160 566 HG2 GLU 72 HG2 GLU 72 2.949 -6.711 -11.589 567 HG3 GLU 72 HG3 GLU 72 4.281 -7.504 -12.439 568 H ILE 73 H ILE 73 1.694 -8.459 -8.383 569 HA ILE 73 HA ILE 73 1.542 -11.293 -7.625 570 HB ILE 73 HB ILE 73 1.657 -8.985 -5.666 571 HG12 ILE 73 HG12 ILE 73 3.830 -10.926 -6.520 572 HG13 ILE 73 HG13 ILE 73 3.884 -9.188 -6.472 573 HG21 ILE 73 HG21 ILE 73 1.576 -12.009 -5.259 574 HG22 ILE 73 HG22 ILE 73 1.677 -10.790 -3.956 575 HG23 ILE 73 HG23 ILE 73 0.234 -10.886 -4.954 576 HD11 ILE 73 HD11 ILE 73 5.256 -10.004 -4.765 577 HD12 ILE 73 HD12 ILE 73 3.859 -9.187 -4.072 578 HD13 ILE 73 HD13 ILE 73 3.952 -10.981 -4.066 579 H ILE 74 H ILE 74 -0.499 -11.923 -7.753 580 HA ILE 74 HA ILE 74 -2.719 -9.941 -8.039 581 HB ILE 74 HB ILE 74 -2.201 -12.696 -9.222 582 HG12 ILE 74 HG12 ILE 74 -2.568 -11.671 -11.412 583 HG13 ILE 74 HG13 ILE 74 -2.793 -10.089 -10.691 584 HG21 ILE 74 HG21 ILE 74 -4.537 -12.654 -8.604 585 HG22 ILE 74 HG22 ILE 74 -4.764 -11.045 -9.343 586 HG23 ILE 74 HG23 ILE 74 -4.427 -12.480 -10.344 587 HD11 ILE 74 HD11 ILE 74 -0.188 -11.664 -10.502 588 HD12 ILE 74 HD12 ILE 74 -0.570 -10.529 -11.816 589 HD13 ILE 74 HD13 ILE 74 -0.439 -9.927 -10.168 590 H VAL 75 H VAL 75 -4.550 -10.317 -6.717 591 HA VAL 75 HA VAL 75 -4.443 -12.550 -4.823 592 HB VAL 75 HB VAL 75 -5.217 -9.909 -3.666 593 HG11 VAL 75 HG11 VAL 75 -4.098 -10.780 -1.682 594 HG12 VAL 75 HG12 VAL 75 -5.147 -12.042 -2.364 595 HG13 VAL 75 HG13 VAL 75 -3.390 -12.105 -2.634 596 HG21 VAL 75 HG21 VAL 75 -2.254 -10.484 -4.109 597 HG22 VAL 75 HG22 VAL 75 -3.162 -9.125 -4.816 598 HG23 VAL 75 HG23 VAL 75 -2.935 -9.212 -3.069 599 H THR 76 H THR 76 -6.565 -13.410 -4.569 600 HA THR 76 HA THR 76 -8.707 -11.909 -5.996 601 HB THR 76 HB THR 76 -9.132 -13.580 -7.482 602 HG1 THR 76 HG1 THR 76 -8.534 -15.657 -7.426 603 HG21 THR 76 HG21 THR 76 -6.826 -12.579 -7.973 604 HG22 THR 76 HG22 THR 76 -6.112 -14.021 -7.219 605 HG23 THR 76 HG23 THR 76 -7.101 -14.173 -8.684 606 H LYS 77 H LYS 77 -10.873 -12.917 -5.790 607 HA LYS 77 HA LYS 77 -11.273 -14.697 -3.476 608 HB2 LYS 77 HB2 LYS 77 -12.957 -12.249 -4.093 609 HB3 LYS 77 HB3 LYS 77 -13.288 -13.469 -2.857 610 HG2 LYS 77 HG2 LYS 77 -10.988 -12.896 -1.837 611 HG3 LYS 77 HG3 LYS 77 -10.978 -11.536 -2.974 612 HD2 LYS 77 HD2 LYS 77 -13.277 -10.923 -1.995 613 HD3 LYS 77 HD3 LYS 77 -12.972 -12.254 -0.841 614 HE2 LYS 77 HE2 LYS 77 -10.758 -10.266 -1.126 615 HE3 LYS 77 HE3 LYS 77 -12.245 -9.542 -0.578 616 HZ1 LYS 77 HZ1 LYS 77 -10.944 -10.209 1.302 617 HZ2 LYS 77 HZ2 LYS 77 -12.315 -11.085 1.302 618 HZ3 LYS 77 HZ3 LYS 77 -10.904 -11.793 0.819 619 H ALA 78 H ALA 78 -13.489 -15.525 -3.551 620 HA ALA 78 HA ALA 78 -14.230 -16.724 -6.099 621 HB1 ALA 78 HB1 ALA 78 -14.715 -17.848 -3.945 622 HB2 ALA 78 HB2 ALA 78 -15.759 -16.490 -3.457 623 HB3 ALA 78 HB3 ALA 78 -16.211 -17.509 -4.840 624 H GLN 79 H GLN 79 -15.791 -15.968 -7.535 625 HA GLN 79 HA GLN 79 -17.455 -13.649 -7.019 626 HB2 GLN 79 HB2 GLN 79 -16.389 -12.224 -8.748 627 HB3 GLN 79 HB3 GLN 79 -15.334 -12.520 -7.373 628 HG2 GLN 79 HG2 GLN 79 -14.248 -14.394 -8.822 629 HG3 GLN 79 HG3 GLN 79 -15.100 -13.655 -10.174 630 HE21 GLN 79 HE22 GLN 79 -12.416 -13.373 -7.929 631 HE22 GLN 79 HE21 GLN 79 -11.708 -11.922 -8.652 632 H LEU 80 H LEU 80 -18.821 -13.200 -8.943 633 HA LEU 80 HA LEU 80 -19.031 -15.420 -10.879 634 HB2 LEU 80 HB2 LEU 80 -20.271 -16.051 -8.771 635 HB3 LEU 80 HB3 LEU 80 -21.291 -14.639 -8.988 636 HG LEU 80 HG LEU 80 -22.122 -15.608 -11.166 637 HD11 LEU 80 HD11 LEU 80 -21.646 -18.012 -11.652 638 HD12 LEU 80 HD12 LEU 80 -20.217 -16.995 -11.853 639 HD13 LEU 80 HD13 LEU 80 -20.392 -18.003 -10.399 640 HD21 LEU 80 HD21 LEU 80 -22.351 -17.478 -8.774 641 HD22 LEU 80 HD22 LEU 80 -23.321 -16.014 -9.046 642 HD23 LEU 80 HD23 LEU 80 -23.467 -17.384 -10.157 643 H SER 81 H SER 81 -18.102 -13.174 -11.685 644 HA SER 81 HA SER 81 -19.856 -11.015 -12.209 645 HB2 SER 81 HB2 SER 81 -17.280 -11.694 -13.660 646 HB3 SER 81 HB3 SER 81 -17.967 -10.093 -13.332 647 HG SER 81 HG SER 81 -16.221 -10.703 -11.893 648 H LYS 82 H LYS 82 -21.167 -13.401 -13.209 649 HA LYS 82 HA LYS 82 -20.986 -13.520 -16.115 650 HB2 LYS 82 HB2 LYS 82 -23.202 -14.368 -14.185 651 HB3 LYS 82 HB3 LYS 82 -23.197 -14.664 -15.929 652 HG2 LYS 82 HG2 LYS 82 -21.114 -15.999 -15.716 653 HG3 LYS 82 HG3 LYS 82 -21.090 -15.699 -13.977 654 HD2 LYS 82 HD2 LYS 82 -21.954 -17.903 -14.347 655 HD3 LYS 82 HD3 LYS 82 -23.271 -16.886 -13.748 656 HE2 LYS 82 HE2 LYS 82 -24.131 -16.634 -16.075 657 HE3 LYS 82 HE3 LYS 82 -22.778 -17.591 -16.685 658 HZ1 LYS 82 HZ1 LYS 82 -23.635 -19.486 -15.423 659 HZ2 LYS 82 HZ2 LYS 82 -24.891 -18.597 -14.858 660 HZ3 LYS 82 HZ3 LYS 82 -24.771 -18.929 -16.453 661 H ASP 83 H ASP 83 -23.010 -11.778 -13.733 662 HA ASP 83 HA ASP 83 -24.298 -10.088 -15.768 663 HB2 ASP 83 HB2 ASP 83 -25.544 -10.481 -13.743 664 HB3 ASP 83 HB3 ASP 83 -24.178 -10.004 -12.729 665 H LEU 84 H LEU 84 -22.899 -8.790 -16.865 666 HA LEU 84 HA LEU 84 -21.205 -6.911 -15.433 667 HB2 LEU 84 HB2 LEU 84 -19.795 -8.994 -15.559 668 HB3 LEU 84 HB3 LEU 84 -19.933 -8.953 -17.316 669 HG LEU 84 HG LEU 84 -18.769 -6.690 -17.265 670 HD11 LEU 84 HD11 LEU 84 -19.245 -6.021 -14.932 671 HD12 LEU 84 HD12 LEU 84 -18.339 -7.426 -14.330 672 HD13 LEU 84 HD13 LEU 84 -17.499 -6.118 -15.193 673 HD21 LEU 84 HD21 LEU 84 -16.530 -7.647 -16.860 674 HD22 LEU 84 HD22 LEU 84 -17.263 -9.033 -16.016 675 HD23 LEU 84 HD23 LEU 84 -17.555 -8.784 -17.748 676 H ASP 85 H ASP 85 -22.082 -8.382 -18.602 677 HA ASP 85 HA ASP 85 -21.222 -6.230 -20.206 678 HB2 ASP 85 HB2 ASP 85 -21.631 -8.496 -21.039 679 HB3 ASP 85 HB3 ASP 85 -23.356 -8.341 -20.700 680 H LYS 86 H LYS 86 -24.217 -6.604 -18.387 681 HA LYS 86 HA LYS 86 -25.915 -4.928 -19.944 682 HB2 LYS 86 HB2 LYS 86 -26.015 -5.561 -16.989 683 HB3 LYS 86 HB3 LYS 86 -27.285 -4.745 -17.895 684 HG2 LYS 86 HG2 LYS 86 -26.320 -7.603 -18.305 685 HG3 LYS 86 HG3 LYS 86 -27.841 -7.033 -17.635 686 HD2 LYS 86 HD2 LYS 86 -28.437 -6.035 -19.846 687 HD3 LYS 86 HD3 LYS 86 -26.970 -6.789 -20.535 688 HE2 LYS 86 HE2 LYS 86 -27.770 -9.021 -19.834 689 HE3 LYS 86 HE3 LYS 86 -29.198 -8.290 -19.100 690 HZ1 LYS 86 HZ1 LYS 86 -29.686 -9.176 -21.289 691 HZ2 LYS 86 HZ2 LYS 86 -29.894 -7.559 -21.315 692 HZ3 LYS 86 HZ3 LYS 86 -28.562 -8.233 -22.000 693 H LEU 87 H LEU 87 -26.527 -2.753 -19.701 694 HA LEU 87 HA LEU 87 -24.476 -0.886 -18.911 695 HB2 LEU 87 HB2 LEU 87 -27.372 -0.693 -19.846 696 HB3 LEU 87 HB3 LEU 87 -26.576 0.700 -19.195 697 HG LEU 87 HG LEU 87 -26.555 0.768 -21.584 698 HD11 LEU 87 HD11 LEU 87 -23.717 0.293 -20.589 699 HD12 LEU 87 HD12 LEU 87 -24.232 1.298 -21.951 700 HD13 LEU 87 HD13 LEU 87 -24.674 1.767 -20.301 701 HD21 LEU 87 HD21 LEU 87 -25.322 -0.779 -22.982 702 HD22 LEU 87 HD22 LEU 87 -24.832 -1.738 -21.571 703 HD23 LEU 87 HD23 LEU 87 -26.547 -1.658 -22.050 704 H VAL 88 H VAL 88 -24.795 0.796 -17.294 705 HA VAL 88 HA VAL 88 -26.586 0.185 -15.030 706 HB VAL 88 HB VAL 88 -24.765 0.516 -13.415 707 HG11 VAL 88 HG11 VAL 88 -25.386 -1.801 -14.090 708 HG12 VAL 88 HG12 VAL 88 -24.071 -1.783 -15.281 709 HG13 VAL 88 HG13 VAL 88 -23.709 -1.650 -13.552 710 HG21 VAL 88 HG21 VAL 88 -22.848 0.410 -15.769 711 HG22 VAL 88 HG22 VAL 88 -23.210 1.832 -14.758 712 HG23 VAL 88 HG23 VAL 88 -22.416 0.427 -14.044 713 HA PRO 89 HA PRO 89 -27.272 4.553 -14.972 714 HB2 PRO 89 HB2 PRO 89 -26.489 4.542 -12.057 715 HB3 PRO 89 HB3 PRO 89 -27.943 5.242 -12.844 716 HG2 PRO 89 HG2 PRO 89 -28.087 2.903 -11.503 717 HG3 PRO 89 HG3 PRO 89 -28.975 3.139 -13.045 718 HD2 PRO 89 HD2 PRO 89 -26.405 1.650 -12.578 719 HD3 PRO 89 HD3 PRO 89 -27.754 1.266 -13.659 720 H ARG 90 H ARG 90 -26.265 6.645 -14.784 721 HA ARG 90 HA ARG 90 -23.383 6.818 -14.185 722 HB2 ARG 90 HB2 ARG 90 -24.589 7.488 -16.855 723 HB3 ARG 90 HB3 ARG 90 -23.083 8.177 -16.233 724 HG2 ARG 90 HG2 ARG 90 -22.186 5.811 -15.901 725 HG3 ARG 90 HG3 ARG 90 -23.657 5.219 -16.709 726 HD2 ARG 90 HD2 ARG 90 -22.073 5.355 -18.449 727 HD3 ARG 90 HD3 ARG 90 -23.106 6.811 -18.561 728 HE ARG 90 HE ARG 90 -20.798 7.364 -16.975 729 HH11 ARG 90 HH11 ARG 90 -21.676 6.868 -20.385 730 HH12 ARG 90 HH12 ARG 90 -20.380 7.830 -21.005 731 HH21 ARG 90 HH21 ARG 90 -19.083 8.655 -17.795 732 HH22 ARG 90 HH22 ARG 90 -18.872 8.863 -19.494 Start of MODEL 12 1 H1 MET 1 H1 MET 1 5.262 1.170 -2.688 2 H2 MET 1 H2 MET 1 6.763 0.502 -2.872 3 H3 MET 1 H3 MET 1 6.204 1.616 -3.941 4 HA MET 1 HA MET 1 6.118 -0.504 -4.956 5 HB2 MET 1 HB2 MET 1 4.945 -2.369 -4.126 6 HB3 MET 1 HB3 MET 1 5.951 -1.807 -2.823 7 HG2 MET 1 HG2 MET 1 3.880 -0.656 -1.864 8 HG3 MET 1 HG3 MET 1 2.939 -1.521 -3.075 9 HE1 MET 1 HE1 MET 1 3.240 -5.213 -1.975 10 HE2 MET 1 HE2 MET 1 2.459 -4.018 -3.035 11 HE3 MET 1 HE3 MET 1 4.192 -4.381 -3.235 12 H GLU 2 H GLU 2 3.697 -1.579 -5.782 13 HA GLU 2 HA GLU 2 2.143 0.827 -6.634 14 HB2 GLU 2 HB2 GLU 2 3.924 -1.111 -8.044 15 HB3 GLU 2 HB3 GLU 2 2.380 -0.969 -8.804 16 HG2 GLU 2 HG2 GLU 2 4.167 1.405 -8.107 17 HG3 GLU 2 HG3 GLU 2 4.132 0.590 -9.667 18 H ILE 3 H ILE 3 -0.081 0.454 -6.461 19 HA ILE 3 HA ILE 3 -1.015 -2.328 -5.903 20 HB ILE 3 HB ILE 3 -2.036 0.234 -4.667 21 HG12 ILE 3 HG12 ILE 3 0.151 -0.157 -3.713 22 HG13 ILE 3 HG13 ILE 3 -1.123 -0.518 -2.569 23 HG21 ILE 3 HG21 ILE 3 -3.823 -1.381 -4.744 24 HG22 ILE 3 HG22 ILE 3 -2.761 -2.690 -4.174 25 HG23 ILE 3 HG23 ILE 3 -3.220 -1.352 -3.092 26 HD11 ILE 3 HD11 ILE 3 -0.800 -2.959 -2.939 27 HD12 ILE 3 HD12 ILE 3 0.536 -2.561 -4.047 28 HD13 ILE 3 HD13 ILE 3 0.647 -2.139 -2.336 29 H GLU 4 H GLU 4 -3.130 -2.828 -6.823 30 HA GLU 4 HA GLU 4 -4.504 -0.705 -8.377 31 HB2 GLU 4 HB2 GLU 4 -2.851 -1.813 -9.886 32 HB3 GLU 4 HB3 GLU 4 -3.578 -3.359 -9.536 33 HG2 GLU 4 HG2 GLU 4 -5.634 -2.714 -10.574 34 HG3 GLU 4 HG3 GLU 4 -5.136 -1.024 -10.724 35 H ARG 5 H ARG 5 -6.678 -0.871 -8.139 36 HA ARG 5 HA ARG 5 -7.914 -3.270 -6.900 37 HB2 ARG 5 HB2 ARG 5 -8.511 -1.170 -5.937 38 HB3 ARG 5 HB3 ARG 5 -8.818 -0.436 -7.504 39 HG2 ARG 5 HG2 ARG 5 -10.868 -0.898 -6.280 40 HG3 ARG 5 HG3 ARG 5 -10.823 -1.714 -7.830 41 HD2 ARG 5 HD2 ARG 5 -11.819 -3.156 -6.209 42 HD3 ARG 5 HD3 ARG 5 -10.249 -3.856 -6.651 43 HE ARG 5 HE ARG 5 -9.996 -2.190 -4.315 44 HH11 ARG 5 HH21 ARG 5 -11.384 -5.401 -5.220 45 HH12 ARG 5 HH22 ARG 5 -11.331 -5.935 -3.545 46 HH21 ARG 5 HH11 ARG 5 -9.961 -2.973 -2.301 47 HH22 ARG 5 HH12 ARG 5 -10.500 -4.637 -1.926 48 H ILE 6 H ILE 6 -8.329 -4.928 -8.455 49 HA ILE 6 HA ILE 6 -8.742 -4.283 -11.245 50 HB ILE 6 HB ILE 6 -9.294 -6.854 -9.726 51 HG12 ILE 6 HG12 ILE 6 -7.029 -6.371 -9.247 52 HG13 ILE 6 HG13 ILE 6 -7.088 -7.568 -10.492 53 HG21 ILE 6 HG21 ILE 6 -8.923 -7.970 -11.890 54 HG22 ILE 6 HG22 ILE 6 -10.320 -6.892 -11.927 55 HG23 ILE 6 HG23 ILE 6 -8.797 -6.384 -12.687 56 HD11 ILE 6 HD11 ILE 6 -6.789 -5.443 -12.109 57 HD12 ILE 6 HD12 ILE 6 -6.135 -4.740 -10.608 58 HD13 ILE 6 HD13 ILE 6 -5.404 -6.187 -11.302 59 H ASN 7 H ASN 7 -10.781 -5.658 -8.642 60 HA ASN 7 HA ASN 7 -13.172 -4.219 -9.452 61 HB2 ASN 7 HB2 ASN 7 -14.514 -5.992 -10.181 62 HB3 ASN 7 HB3 ASN 7 -13.036 -6.214 -11.079 63 HD21 ASN 7 HD22 ASN 7 -14.735 -8.338 -11.006 64 HD22 ASN 7 HD21 ASN 7 -14.161 -9.575 -9.902 65 H GLU 8 H GLU 8 -15.079 -5.520 -8.019 66 HA GLU 8 HA GLU 8 -14.579 -4.735 -5.429 67 HB2 GLU 8 HB2 GLU 8 -16.742 -5.032 -6.591 68 HB3 GLU 8 HB3 GLU 8 -16.611 -6.788 -6.403 69 HG2 GLU 8 HG2 GLU 8 -16.917 -6.655 -4.047 70 HG3 GLU 8 HG3 GLU 8 -16.465 -4.952 -4.005 71 H HIS 9 H HIS 9 -13.387 -7.658 -6.759 72 HA HIS 9 HA HIS 9 -13.110 -8.967 -4.062 73 HB2 HIS 9 HB2 HIS 9 -13.285 -10.290 -6.800 74 HB3 HIS 9 HB3 HIS 9 -13.260 -11.078 -5.238 75 HD1 HIS 9 HD1 HIS 9 -15.636 -10.452 -7.793 76 HD2 HIS 9 HD2 HIS 9 -15.593 -9.776 -3.633 77 HE1 HIS 9 HE1 HIS 9 -18.078 -10.215 -7.070 78 H THR 10 H THR 10 -11.589 -8.601 -7.319 79 HA THR 10 HA THR 10 -9.094 -9.697 -6.248 80 HB THR 10 HB THR 10 -9.949 -8.881 -9.054 81 HG1 THR 10 HG1 THR 10 -10.476 -11.024 -9.255 82 HG21 THR 10 HG21 THR 10 -7.435 -8.974 -8.778 83 HG22 THR 10 HG22 THR 10 -7.610 -10.640 -8.238 84 HG23 THR 10 HG23 THR 10 -8.089 -10.188 -9.888 85 H VAL 11 H VAL 11 -7.183 -8.641 -6.106 86 HA VAL 11 HA VAL 11 -6.982 -5.837 -7.043 87 HB VAL 11 HB VAL 11 -5.571 -5.260 -5.125 88 HG11 VAL 11 HG11 VAL 11 -7.327 -4.810 -3.565 89 HG12 VAL 11 HG12 VAL 11 -8.005 -4.705 -5.188 90 HG13 VAL 11 HG13 VAL 11 -8.327 -6.137 -4.189 91 HG21 VAL 11 HG21 VAL 11 -4.867 -7.490 -4.331 92 HG22 VAL 11 HG22 VAL 11 -5.628 -6.567 -3.037 93 HG23 VAL 11 HG23 VAL 11 -6.537 -7.861 -3.834 94 H LYS 12 H LYS 12 -4.647 -5.348 -7.525 95 HA LYS 12 HA LYS 12 -2.901 -7.679 -7.322 96 HB2 LYS 12 HB2 LYS 12 -2.012 -7.661 -9.442 97 HB3 LYS 12 HB3 LYS 12 -3.752 -7.637 -9.713 98 HG2 LYS 12 HG2 LYS 12 -3.641 -5.314 -10.316 99 HG3 LYS 12 HG3 LYS 12 -1.895 -5.264 -9.985 100 HD2 LYS 12 HD2 LYS 12 -1.529 -7.050 -11.685 101 HD3 LYS 12 HD3 LYS 12 -3.266 -7.056 -12.075 102 HE2 LYS 12 HE2 LYS 12 -3.159 -4.743 -12.830 103 HE3 LYS 12 HE3 LYS 12 -1.543 -4.590 -12.127 104 HZ1 LYS 12 HZ1 LYS 12 -1.461 -4.847 -14.544 105 HZ2 LYS 12 HZ2 LYS 12 -0.683 -6.084 -13.797 106 HZ3 LYS 12 HZ3 LYS 12 -2.186 -6.309 -14.461 107 H PHE 13 H PHE 13 -0.565 -6.957 -7.588 108 HA PHE 13 HA PHE 13 -0.112 -4.106 -7.197 109 HB2 PHE 13 HB2 PHE 13 1.221 -4.408 -5.176 110 HB3 PHE 13 HB3 PHE 13 -0.453 -4.827 -4.900 111 HD1 PHE 13 HD1 PHE 13 -1.167 -7.129 -4.574 112 HD2 PHE 13 HD2 PHE 13 2.973 -5.986 -4.837 113 HE1 PHE 13 HE1 PHE 13 -0.527 -9.093 -3.154 114 HE2 PHE 13 HE2 PHE 13 3.607 -7.865 -3.355 115 HZ PHE 13 HZ PHE 13 1.818 -9.392 -2.465 116 H TYR 14 H TYR 14 2.284 -3.681 -7.233 117 HA TYR 14 HA TYR 14 3.892 -5.840 -8.418 118 HB2 TYR 14 HB2 TYR 14 3.233 -4.603 -10.350 119 HB3 TYR 14 HB3 TYR 14 3.437 -3.065 -9.550 120 HD1 TYR 14 HD2 TYR 14 5.248 -6.019 -10.885 121 HD2 TYR 14 HD1 TYR 14 5.574 -2.051 -9.278 122 HE1 TYR 14 HE2 TYR 14 7.624 -6.019 -11.521 123 HE2 TYR 14 HE1 TYR 14 8.031 -2.034 -9.837 124 HH TYR 14 HH TYR 14 9.784 -3.186 -10.868 125 H MET 15 H MET 15 5.968 -5.776 -7.712 126 HA MET 15 HA MET 15 6.656 -3.828 -5.562 127 HB2 MET 15 HB2 MET 15 5.448 -5.964 -4.767 128 HB3 MET 15 HB3 MET 15 6.824 -6.865 -5.390 129 HG2 MET 15 HG2 MET 15 8.294 -5.744 -3.883 130 HG3 MET 15 HG3 MET 15 7.004 -4.682 -3.344 131 HE1 MET 15 HE1 MET 15 6.685 -6.427 -0.065 132 HE2 MET 15 HE2 MET 15 7.670 -5.218 -0.938 133 HE3 MET 15 HE3 MET 15 5.881 -5.155 -1.006 134 H SER 16 H SER 16 8.588 -3.017 -6.241 135 HA SER 16 HA SER 16 10.319 -4.467 -8.077 136 HB2 SER 16 HB2 SER 16 11.045 -2.059 -6.416 137 HB3 SER 16 HB3 SER 16 11.726 -2.565 -7.976 138 HG SER 16 HG SER 16 10.235 -0.809 -8.188 139 H TYR 17 H TYR 17 12.468 -5.297 -7.483 140 HA TYR 17 HA TYR 17 12.584 -6.750 -5.084 141 HB2 TYR 17 HB2 TYR 17 14.909 -5.726 -6.734 142 HB3 TYR 17 HB3 TYR 17 14.991 -7.002 -5.527 143 HD1 TYR 17 HD2 TYR 17 12.253 -8.386 -6.322 144 HD2 TYR 17 HD1 TYR 17 15.698 -7.033 -8.567 145 HE1 TYR 17 HE2 TYR 17 11.830 -10.105 -8.007 146 HE2 TYR 17 HE1 TYR 17 15.277 -8.754 -10.266 147 HH TYR 17 HH TYR 17 13.899 -10.589 -10.910 148 H GLY 18 H GLY 18 13.893 -3.430 -5.637 149 HA2 GLY 18 HA2 GLY 18 15.007 -3.403 -2.993 150 HA3 GLY 18 HA3 GLY 18 14.877 -2.054 -4.040 151 H ASP 19 H ASP 19 11.692 -2.978 -3.989 152 HA ASP 19 HA ASP 19 10.861 -1.380 -1.682 153 HB2 ASP 19 HB2 ASP 19 9.505 -2.911 -3.849 154 HB3 ASP 19 HB3 ASP 19 8.731 -3.077 -2.310 155 H ILE 20 H ILE 20 11.622 -4.771 -2.389 156 HA ILE 20 HA ILE 20 10.598 -5.788 0.150 157 HB ILE 20 HB ILE 20 12.166 -7.032 -2.165 158 HG12 ILE 20 HG12 ILE 20 9.336 -7.697 -1.340 159 HG13 ILE 20 HG13 ILE 20 9.637 -6.238 -2.262 160 HG21 ILE 20 HG21 ILE 20 10.928 -8.497 0.181 161 HG22 ILE 20 HG22 ILE 20 11.758 -9.203 -1.213 162 HG23 ILE 20 HG23 ILE 20 12.674 -8.224 -0.048 163 HD11 ILE 20 HD11 ILE 20 10.668 -7.505 -4.077 164 HD12 ILE 20 HD12 ILE 20 10.324 -9.030 -3.206 165 HD13 ILE 20 HD13 ILE 20 9.000 -7.976 -3.773 166 H GLU 21 H GLU 21 13.803 -4.963 -1.301 167 HA GLU 21 HA GLU 21 15.378 -5.601 0.960 168 HB2 GLU 21 HB2 GLU 21 15.819 -3.241 -0.940 169 HB3 GLU 21 HB3 GLU 21 17.007 -3.984 0.113 170 HG2 GLU 21 HG2 GLU 21 16.734 -6.112 -1.237 171 HG3 GLU 21 HG3 GLU 21 15.788 -5.228 -2.375 172 H ASP 22 H ASP 22 13.477 -2.643 0.257 173 HA ASP 22 HA ASP 22 14.541 -0.977 2.285 174 HB2 ASP 22 HB2 ASP 22 13.085 -0.219 0.420 175 HB3 ASP 22 HB3 ASP 22 11.725 -1.042 1.144 176 H ARG 23 H ARG 23 11.805 -3.161 2.235 177 HA ARG 23 HA ARG 23 11.026 -2.829 5.014 178 HB2 ARG 23 HB2 ARG 23 10.411 -4.967 2.925 179 HB3 ARG 23 HB3 ARG 23 9.645 -4.883 4.525 180 HG2 ARG 23 HG2 ARG 23 8.534 -2.870 4.076 181 HG3 ARG 23 HG3 ARG 23 9.515 -2.530 2.645 182 HD2 ARG 23 HD2 ARG 23 8.501 -4.379 1.410 183 HD3 ARG 23 HD3 ARG 23 7.602 -4.892 2.839 184 HE ARG 23 HE ARG 23 6.094 -3.198 2.602 185 HH11 ARG 23 HH11 ARG 23 8.855 -2.429 0.452 186 HH12 ARG 23 HH12 ARG 23 7.993 -1.200 -0.423 187 HH21 ARG 23 HH21 ARG 23 5.056 -1.511 1.596 188 HH22 ARG 23 HH22 ARG 23 5.842 -0.519 0.391 189 H GLY 24 H GLY 24 13.774 -4.248 3.657 190 HA2 GLY 24 HA2 GLY 24 15.480 -5.359 4.657 191 HA3 GLY 24 HA3 GLY 24 14.550 -5.394 6.157 192 H PHE 25 H PHE 25 12.885 -6.675 3.434 193 HA PHE 25 HA PHE 25 13.409 -9.509 4.215 194 HB2 PHE 25 HB2 PHE 25 11.412 -8.271 2.287 195 HB3 PHE 25 HB3 PHE 25 11.603 -10.000 2.560 196 HD1 PHE 25 HD2 PHE 25 10.756 -6.795 4.240 197 HD2 PHE 25 HD1 PHE 25 10.268 -11.077 4.337 198 HE1 PHE 25 HE2 PHE 25 9.247 -6.573 6.176 199 HE2 PHE 25 HE1 PHE 25 8.792 -10.851 6.258 200 HZ PHE 25 HZ PHE 25 8.258 -8.613 7.218 201 H ASP 26 H ASP 26 13.376 -10.730 1.726 202 HA ASP 26 HA ASP 26 15.255 -9.300 -0.050 203 HB2 ASP 26 HB2 ASP 26 16.420 -11.045 1.652 204 HB3 ASP 26 HB3 ASP 26 15.770 -12.205 0.513 205 H ARG 27 H ARG 27 14.982 -10.055 -2.250 206 HA ARG 27 HA ARG 27 12.329 -10.871 -2.817 207 HB2 ARG 27 HB2 ARG 27 12.998 -10.919 -5.140 208 HB3 ARG 27 HB3 ARG 27 13.822 -9.569 -4.358 209 HG2 ARG 27 HG2 ARG 27 15.891 -11.041 -4.165 210 HG3 ARG 27 HG3 ARG 27 15.031 -12.276 -5.107 211 HD2 ARG 27 HD2 ARG 27 14.786 -10.642 -6.972 212 HD3 ARG 27 HD3 ARG 27 15.698 -9.462 -6.038 213 HE ARG 27 HE ARG 27 17.662 -10.751 -6.215 214 HH11 ARG 27 HH11 ARG 27 15.036 -12.109 -8.214 215 HH12 ARG 27 HH12 ARG 27 16.088 -13.092 -9.162 216 HH21 ARG 27 HH21 ARG 27 19.053 -12.036 -7.499 217 HH22 ARG 27 HH22 ARG 27 18.424 -13.018 -8.772 218 H GLU 28 H GLU 28 15.223 -12.861 -2.320 219 HA GLU 28 HA GLU 28 13.788 -15.296 -3.179 220 HB2 GLU 28 HB2 GLU 28 16.476 -14.881 -1.844 221 HB3 GLU 28 HB3 GLU 28 15.820 -16.444 -2.297 222 HG2 GLU 28 HG2 GLU 28 15.637 -15.608 -4.682 223 HG3 GLU 28 HG3 GLU 28 16.513 -14.165 -4.176 224 H GLU 29 H GLU 29 14.856 -13.723 -0.120 225 HA GLU 29 HA GLU 29 14.193 -15.813 1.624 226 HB2 GLU 29 HB2 GLU 29 14.256 -12.799 1.973 227 HB3 GLU 29 HB3 GLU 29 13.995 -13.818 3.336 228 HG2 GLU 29 HG2 GLU 29 16.430 -14.295 1.607 229 HG3 GLU 29 HG3 GLU 29 16.346 -13.002 2.792 230 H ILE 30 H ILE 30 12.161 -13.270 0.385 231 HA ILE 30 HA ILE 30 9.755 -13.612 1.765 232 HB ILE 30 HB ILE 30 10.332 -13.106 -1.152 233 HG12 ILE 30 HG12 ILE 30 10.896 -11.438 0.774 234 HG13 ILE 30 HG13 ILE 30 10.163 -10.913 -0.715 235 HG21 ILE 30 HG21 ILE 30 7.573 -13.036 0.130 236 HG22 ILE 30 HG22 ILE 30 7.995 -12.292 -1.433 237 HG23 ILE 30 HG23 ILE 30 8.109 -14.037 -1.226 238 HD11 ILE 30 HD11 ILE 30 8.635 -11.403 1.894 239 HD12 ILE 30 HD12 ILE 30 9.225 -9.819 1.362 240 HD13 ILE 30 HD13 ILE 30 7.984 -10.634 0.421 241 H TRP 31 H TRP 31 10.957 -15.613 -0.977 242 HA TRP 31 HA TRP 31 8.635 -17.362 -0.874 243 HB2 TRP 31 HB2 TRP 31 11.211 -17.704 -2.417 244 HB3 TRP 31 HB3 TRP 31 9.680 -18.513 -2.730 245 HD1 TRP 31 HD1 TRP 31 11.610 -15.945 -4.188 246 HE1 TRP 31 HE1 TRP 31 10.298 -14.031 -5.257 247 HE3 TRP 31 HE3 TRP 31 6.949 -17.029 -2.344 248 HZ2 TRP 31 HZ2 TRP 31 7.670 -12.825 -4.896 249 HZ3 TRP 31 HZ3 TRP 31 5.059 -15.497 -2.745 250 HH2 TRP 31 HH2 TRP 31 5.403 -13.366 -3.993 251 H TYR 32 H TYR 32 11.579 -17.354 0.900 252 HA TYR 32 HA TYR 32 11.481 -20.316 1.250 253 HB2 TYR 32 HB2 TYR 32 13.871 -18.443 1.246 254 HB3 TYR 32 HB3 TYR 32 13.935 -20.185 1.469 255 HD1 TYR 32 HD2 TYR 32 12.363 -21.480 -0.478 256 HD2 TYR 32 HD1 TYR 32 14.676 -17.861 -0.891 257 HE1 TYR 32 HE2 TYR 32 12.465 -21.823 -2.909 258 HE2 TYR 32 HE1 TYR 32 14.700 -18.134 -3.334 259 HH TYR 32 HH TYR 32 14.086 -19.509 -5.155 260 H ASN 33 H ASN 33 10.474 -17.782 2.966 261 HA ASN 33 HA ASN 33 11.113 -19.081 5.573 262 HB2 ASN 33 HB2 ASN 33 10.989 -16.141 4.815 263 HB3 ASN 33 HB3 ASN 33 10.935 -16.731 6.467 264 HD21 ASN 33 HD22 ASN 33 12.889 -16.268 3.655 265 HD22 ASN 33 HD21 ASN 33 14.460 -16.582 4.376 266 H ARG 34 H ARG 34 9.206 -20.145 5.783 267 HA ARG 34 HA ARG 34 6.885 -19.682 4.361 268 HB2 ARG 34 HB2 ARG 34 6.005 -21.504 5.483 269 HB3 ARG 34 HB3 ARG 34 7.760 -21.719 5.452 270 HG2 ARG 34 HG2 ARG 34 7.931 -21.027 7.813 271 HG3 ARG 34 HG3 ARG 34 6.160 -20.801 7.882 272 HD2 ARG 34 HD2 ARG 34 5.834 -23.128 7.192 273 HD3 ARG 34 HD3 ARG 34 7.590 -23.379 7.159 274 HE ARG 34 HE ARG 34 6.936 -22.385 9.721 275 HH11 ARG 34 HH11 ARG 34 6.343 -25.345 7.835 276 HH12 ARG 34 HH12 ARG 34 6.197 -26.368 9.216 277 HH21 ARG 34 HH21 ARG 34 6.747 -23.747 11.565 278 HH22 ARG 34 HH22 ARG 34 6.434 -25.435 11.388 279 H GLU 35 H GLU 35 7.747 -18.087 7.217 280 HA GLU 35 HA GLU 35 4.976 -17.082 7.651 281 HB2 GLU 35 HB2 GLU 35 5.617 -16.580 9.878 282 HB3 GLU 35 HB3 GLU 35 5.966 -18.271 9.567 283 HG2 GLU 35 HG2 GLU 35 8.033 -16.016 9.640 284 HG3 GLU 35 HG3 GLU 35 7.657 -17.090 10.971 285 H ARG 36 H ARG 36 8.295 -16.087 6.823 286 HA ARG 36 HA ARG 36 7.652 -13.246 7.185 287 HB2 ARG 36 HB2 ARG 36 10.076 -14.587 5.983 288 HB3 ARG 36 HB3 ARG 36 9.848 -12.885 6.182 289 HG2 ARG 36 HG2 ARG 36 10.252 -14.980 8.326 290 HG3 ARG 36 HG3 ARG 36 11.186 -13.522 8.003 291 HD2 ARG 36 HD2 ARG 36 9.279 -12.110 8.794 292 HD3 ARG 36 HD3 ARG 36 8.380 -13.591 9.183 293 HE ARG 36 HE ARG 36 10.973 -13.553 10.436 294 HH11 ARG 36 HH11 ARG 36 7.620 -12.292 10.776 295 HH12 ARG 36 HH12 ARG 36 7.749 -12.126 12.492 296 HH21 ARG 36 HH21 ARG 36 11.094 -13.300 12.715 297 HH22 ARG 36 HH22 ARG 36 9.745 -12.706 13.614 298 H SER 37 H SER 37 7.235 -15.659 4.771 299 HA SER 37 HA SER 37 6.918 -14.092 2.441 300 HB2 SER 37 HB2 SER 37 5.188 -15.954 1.962 301 HB3 SER 37 HB3 SER 37 6.806 -16.533 2.374 302 HG SER 37 HG SER 37 5.067 -17.604 3.507 303 H GLU 38 H GLU 38 4.497 -15.084 4.853 304 HA GLU 38 HA GLU 38 2.344 -13.882 3.784 305 HB2 GLU 38 HB2 GLU 38 2.818 -15.546 5.858 306 HB3 GLU 38 HB3 GLU 38 2.437 -14.077 6.772 307 HG2 GLU 38 HG2 GLU 38 0.325 -13.878 5.470 308 HG3 GLU 38 HG3 GLU 38 0.731 -15.329 4.569 309 H GLU 39 H GLU 39 4.737 -12.234 5.807 310 HA GLU 39 HA GLU 39 3.237 -10.095 6.771 311 HB2 GLU 39 HB2 GLU 39 6.078 -9.720 5.823 312 HB3 GLU 39 HB3 GLU 39 5.325 -9.107 7.277 313 HG2 GLU 39 HG2 GLU 39 6.155 -11.976 6.806 314 HG3 GLU 39 HG3 GLU 39 7.100 -10.772 7.581 315 H LEU 40 H LEU 40 4.776 -10.579 3.621 316 HA LEU 40 HA LEU 40 4.486 -7.923 2.611 317 HB2 LEU 40 HB2 LEU 40 5.973 -9.432 1.577 318 HB3 LEU 40 HB3 LEU 40 4.735 -10.628 1.327 319 HG LEU 40 HG LEU 40 5.730 -8.953 -0.576 320 HD11 LEU 40 HD11 LEU 40 4.573 -11.019 -0.940 321 HD12 LEU 40 HD12 LEU 40 3.004 -10.230 -0.643 322 HD13 LEU 40 HD13 LEU 40 4.042 -9.744 -2.020 323 HD21 LEU 40 HD21 LEU 40 4.429 -6.962 0.458 324 HD22 LEU 40 HD22 LEU 40 4.272 -7.268 -1.273 325 HD23 LEU 40 HD23 LEU 40 2.979 -7.765 -0.224 326 H PHE 41 H PHE 41 2.451 -10.811 2.255 327 HA PHE 41 HA PHE 41 0.401 -9.597 0.740 328 HB2 PHE 41 HB2 PHE 41 0.247 -12.057 2.536 329 HB3 PHE 41 HB3 PHE 41 -0.835 -11.667 1.205 330 HD1 PHE 41 HD1 PHE 41 -0.070 -11.877 -1.149 331 HD2 PHE 41 HD2 PHE 41 2.619 -12.647 2.112 332 HE1 PHE 41 HE1 PHE 41 1.584 -12.845 -2.728 333 HE2 PHE 41 HE2 PHE 41 4.255 -13.656 0.537 334 HZ PHE 41 HZ PHE 41 3.727 -13.768 -1.888 335 H TRP 42 H TRP 42 0.831 -10.033 4.272 336 HA TRP 42 HA TRP 42 -1.693 -8.932 5.016 337 HB2 TRP 42 HB2 TRP 42 0.957 -9.350 6.393 338 HB3 TRP 42 HB3 TRP 42 -0.265 -8.364 7.162 339 HD1 TRP 42 HD1 TRP 42 0.737 -11.874 6.867 340 HE1 TRP 42 HE1 TRP 42 -1.062 -13.495 7.651 341 HE3 TRP 42 HE3 TRP 42 -3.203 -8.607 7.045 342 HZ2 TRP 42 HZ2 TRP 42 -3.935 -13.403 8.186 343 HZ3 TRP 42 HZ3 TRP 42 -5.474 -9.415 7.621 344 HH2 TRP 42 HH2 TRP 42 -5.857 -11.805 8.174 345 H GLU 43 H GLU 43 1.436 -7.259 4.130 346 HA GLU 43 HA GLU 43 0.509 -4.763 5.206 347 HB2 GLU 43 HB2 GLU 43 2.936 -5.409 4.722 348 HB3 GLU 43 HB3 GLU 43 2.574 -5.216 3.000 349 HG2 GLU 43 HG2 GLU 43 1.739 -2.861 3.592 350 HG3 GLU 43 HG3 GLU 43 2.438 -3.101 5.193 351 H VAL 44 H VAL 44 0.480 -6.228 1.846 352 HA VAL 44 HA VAL 44 -0.685 -3.935 0.665 353 HB VAL 44 HB VAL 44 -1.369 -5.496 -1.099 354 HG11 VAL 44 HG11 VAL 44 0.923 -5.969 -1.863 355 HG12 VAL 44 HG12 VAL 44 0.897 -4.398 -1.031 356 HG13 VAL 44 HG13 VAL 44 1.524 -5.851 -0.196 357 HG21 VAL 44 HG21 VAL 44 -0.432 -7.775 -1.162 358 HG22 VAL 44 HG22 VAL 44 -0.005 -7.595 0.533 359 HG23 VAL 44 HG23 VAL 44 -1.724 -7.608 0.019 360 H MET 45 H MET 45 -2.199 -6.890 2.042 361 HA MET 45 HA MET 45 -4.839 -6.115 1.433 362 HB2 MET 45 HB2 MET 45 -4.222 -8.398 1.998 363 HB3 MET 45 HB3 MET 45 -3.703 -7.885 3.611 364 HG2 MET 45 HG2 MET 45 -5.936 -8.955 3.608 365 HG3 MET 45 HG3 MET 45 -5.866 -7.320 4.260 366 HE1 MET 45 HE1 MET 45 -6.661 -9.323 0.916 367 HE2 MET 45 HE2 MET 45 -7.670 -8.154 0.033 368 HE3 MET 45 HE3 MET 45 -5.942 -7.825 0.265 369 H ASP 46 H ASP 46 -2.694 -5.270 4.205 370 HA ASP 46 HA ASP 46 -4.720 -3.967 5.750 371 HB2 ASP 46 HB2 ASP 46 -2.555 -4.625 6.704 372 HB3 ASP 46 HB3 ASP 46 -1.702 -3.536 5.635 373 H GLU 47 H GLU 47 -2.466 -2.818 3.190 374 HA GLU 47 HA GLU 47 -3.166 -0.064 3.297 375 HB2 GLU 47 HB2 GLU 47 -1.153 -0.595 2.276 376 HB3 GLU 47 HB3 GLU 47 -1.777 -2.020 1.494 377 HG2 GLU 47 HG2 GLU 47 -1.210 -0.459 -0.111 378 HG3 GLU 47 HG3 GLU 47 -2.939 -0.757 -0.174 379 H VAL 48 H VAL 48 -4.486 -2.872 1.479 380 HA VAL 48 HA VAL 48 -6.510 -1.342 0.090 381 HB VAL 48 HB VAL 48 -6.104 -4.319 0.615 382 HG11 VAL 48 HG11 VAL 48 -7.882 -3.039 -1.503 383 HG12 VAL 48 HG12 VAL 48 -7.583 -4.786 -1.264 384 HG13 VAL 48 HG13 VAL 48 -8.445 -3.860 -0.055 385 HG21 VAL 48 HG21 VAL 48 -5.187 -4.506 -1.572 386 HG22 VAL 48 HG22 VAL 48 -5.617 -2.831 -2.006 387 HG23 VAL 48 HG23 VAL 48 -4.324 -3.138 -0.856 388 H HIS 49 H HIS 49 -6.303 -2.539 3.387 389 HA HIS 49 HA HIS 49 -8.616 -3.759 3.649 390 HB2 HIS 49 HB2 HIS 49 -6.749 -3.523 5.326 391 HB3 HIS 49 HB3 HIS 49 -7.556 -2.073 5.916 392 HD1 HIS 49 HD1 HIS 49 -8.931 -2.737 8.054 393 HD2 HIS 49 HD2 HIS 49 -8.705 -5.722 5.098 394 HE1 HIS 49 HE1 HIS 49 -10.238 -4.732 8.954 395 H GLU 50 H GLU 50 -8.523 -0.214 3.554 396 HA GLU 50 HA GLU 50 -11.038 0.289 4.792 397 HB2 GLU 50 HB2 GLU 50 -9.605 1.772 2.547 398 HB3 GLU 50 HB3 GLU 50 -11.030 2.367 3.406 399 HG2 GLU 50 HG2 GLU 50 -9.756 2.237 5.564 400 HG3 GLU 50 HG3 GLU 50 -8.312 1.789 4.654 401 H GLU 51 H GLU 51 -10.274 -1.191 1.716 402 HA GLU 51 HA GLU 51 -12.997 -0.823 0.632 403 HB2 GLU 51 HB2 GLU 51 -10.472 -2.085 -0.474 404 HB3 GLU 51 HB3 GLU 51 -12.013 -2.014 -1.340 405 HG2 GLU 51 HG2 GLU 51 -12.018 0.386 -1.362 406 HG3 GLU 51 HG3 GLU 51 -10.577 0.461 -0.353 407 H GLU 52 H GLU 52 -11.541 -2.920 2.809 408 HA GLU 52 HA GLU 52 -12.836 -5.414 1.782 409 HB2 GLU 52 HB2 GLU 52 -10.106 -4.918 2.911 410 HB3 GLU 52 HB3 GLU 52 -10.758 -6.519 2.699 411 HG2 GLU 52 HG2 GLU 52 -10.454 -4.472 0.459 412 HG3 GLU 52 HG3 GLU 52 -9.276 -5.704 0.852 413 H GLU 53 H GLU 53 -12.278 -3.359 4.598 414 HA GLU 53 HA GLU 53 -12.510 -5.187 6.652 415 HB2 GLU 53 HB2 GLU 53 -13.166 -3.300 8.047 416 HB3 GLU 53 HB3 GLU 53 -11.852 -2.866 6.959 417 HG2 GLU 53 HG2 GLU 53 -13.419 -1.682 5.469 418 HG3 GLU 53 HG3 GLU 53 -14.783 -2.174 6.479 419 H PHE 54 H PHE 54 -15.032 -4.325 4.469 420 HA PHE 54 HA PHE 54 -17.154 -5.477 6.212 421 HB2 PHE 54 HB2 PHE 54 -18.702 -4.350 4.631 422 HB3 PHE 54 HB3 PHE 54 -17.641 -3.253 5.492 423 HD1 PHE 54 HD1 PHE 54 -18.252 -4.854 2.169 424 HD2 PHE 54 HD2 PHE 54 -16.075 -1.824 4.342 425 HE1 PHE 54 HE1 PHE 54 -17.483 -3.862 0.026 426 HE2 PHE 54 HE2 PHE 54 -15.314 -0.835 2.197 427 HZ PHE 54 HZ PHE 54 -16.012 -1.861 0.035 428 H ALA 55 H ALA 55 -14.958 -6.613 4.050 429 HA ALA 55 HA ALA 55 -16.765 -8.700 2.984 430 HB1 ALA 55 HB1 ALA 55 -16.545 -6.912 1.248 431 HB2 ALA 55 HB2 ALA 55 -14.774 -7.093 1.313 432 HB3 ALA 55 HB3 ALA 55 -15.797 -8.433 0.738 433 H VAL 56 H VAL 56 -14.517 -8.410 5.091 434 HA VAL 56 HA VAL 56 -12.690 -10.486 4.076 435 HB VAL 56 HB VAL 56 -11.572 -8.652 5.031 436 HG11 VAL 56 HG11 VAL 56 -13.280 -7.702 6.526 437 HG12 VAL 56 HG12 VAL 56 -13.056 -9.056 7.653 438 HG13 VAL 56 HG13 VAL 56 -11.729 -7.923 7.333 439 HG21 VAL 56 HG21 VAL 56 -10.192 -9.807 6.660 440 HG22 VAL 56 HG22 VAL 56 -11.482 -10.995 6.958 441 HG23 VAL 56 HG23 VAL 56 -10.693 -10.922 5.368 442 H GLU 57 H GLU 57 -14.501 -11.870 3.809 443 HA GLU 57 HA GLU 57 -15.093 -13.504 6.186 444 HB2 GLU 57 HB2 GLU 57 -17.533 -13.282 5.761 445 HB3 GLU 57 HB3 GLU 57 -16.787 -11.832 6.389 446 HG2 GLU 57 HG2 GLU 57 -16.965 -10.646 4.388 447 HG3 GLU 57 HG3 GLU 57 -17.091 -12.086 3.396 448 H GLY 58 H GLY 58 -13.499 -13.926 3.828 449 HA2 GLY 58 HA2 GLY 58 -14.610 -16.384 2.803 450 HA3 GLY 58 HA3 GLY 58 -14.587 -15.101 1.586 451 HA PRO 59 HA PRO 59 -10.454 -17.297 2.006 452 HB2 PRO 59 HB2 PRO 59 -10.227 -18.387 -0.480 453 HB3 PRO 59 HB3 PRO 59 -11.186 -19.130 0.828 454 HG2 PRO 59 HG2 PRO 59 -12.195 -17.356 -1.425 455 HG3 PRO 59 HG3 PRO 59 -12.830 -18.937 -0.854 456 HD2 PRO 59 HD2 PRO 59 -13.902 -16.578 -0.051 457 HD3 PRO 59 HD3 PRO 59 -13.808 -18.011 1.017 458 H LEU 60 H LEU 60 -8.451 -17.011 0.648 459 HA LEU 60 HA LEU 60 -8.390 -14.711 -1.187 460 HB2 LEU 60 HB2 LEU 60 -6.661 -15.006 1.308 461 HB3 LEU 60 HB3 LEU 60 -6.143 -14.060 -0.080 462 HG LEU 60 HG LEU 60 -8.658 -13.484 1.537 463 HD11 LEU 60 HD11 LEU 60 -7.394 -11.563 2.421 464 HD12 LEU 60 HD12 LEU 60 -6.603 -13.088 2.837 465 HD13 LEU 60 HD13 LEU 60 -5.947 -12.078 1.529 466 HD21 LEU 60 HD21 LEU 60 -8.607 -11.290 0.337 467 HD22 LEU 60 HD22 LEU 60 -7.273 -11.888 -0.681 468 HD23 LEU 60 HD23 LEU 60 -8.881 -12.639 -0.765 469 H TRP 61 H TRP 61 -6.520 -14.778 -2.532 470 HA TRP 61 HA TRP 61 -5.372 -17.481 -3.034 471 HB2 TRP 61 HB2 TRP 61 -7.224 -15.754 -4.676 472 HB3 TRP 61 HB3 TRP 61 -6.395 -17.086 -5.399 473 HD1 TRP 61 HD1 TRP 61 -9.302 -16.135 -3.156 474 HE1 TRP 61 HE1 TRP 61 -10.943 -18.120 -2.949 475 HE3 TRP 61 HE3 TRP 61 -6.486 -19.706 -5.424 476 HZ2 TRP 61 HZ2 TRP 61 -10.983 -20.943 -3.654 477 HZ3 TRP 61 HZ3 TRP 61 -7.327 -22.048 -5.662 478 HH2 TRP 61 HH2 TRP 61 -9.572 -22.665 -4.773 479 H ILE 62 H ILE 62 -3.532 -17.279 -4.494 480 HA ILE 62 HA ILE 62 -2.615 -14.475 -4.953 481 HB ILE 62 HB ILE 62 -0.811 -16.735 -4.039 482 HG12 ILE 62 HG12 ILE 62 -2.367 -16.535 -2.168 483 HG13 ILE 62 HG13 ILE 62 -0.747 -16.002 -1.776 484 HG21 ILE 62 HG21 ILE 62 0.660 -14.860 -3.349 485 HG22 ILE 62 HG22 ILE 62 0.312 -14.848 -5.074 486 HG23 ILE 62 HG23 ILE 62 -0.532 -13.699 -4.005 487 HD11 ILE 62 HD11 ILE 62 -2.381 -14.549 -0.718 488 HD12 ILE 62 HD12 ILE 62 -1.474 -13.623 -1.921 489 HD13 ILE 62 HD13 ILE 62 -3.123 -14.168 -2.272 490 H GLN 63 H GLN 63 -1.634 -14.148 -6.909 491 HA GLN 63 HA GLN 63 -0.399 -16.430 -8.363 492 HB2 GLN 63 HB2 GLN 63 -2.543 -16.034 -9.464 493 HB3 GLN 63 HB3 GLN 63 -2.212 -14.304 -9.528 494 HG2 GLN 63 HG2 GLN 63 -0.219 -14.789 -11.014 495 HG3 GLN 63 HG3 GLN 63 -0.704 -16.485 -11.044 496 HE21 GLN 63 HE22 GLN 63 -0.604 -14.005 -13.052 497 HE22 GLN 63 HE21 GLN 63 -2.152 -14.144 -13.869 498 H VAL 64 H VAL 64 1.568 -15.743 -7.487 499 HA VAL 64 HA VAL 64 2.686 -13.077 -7.930 500 HB VAL 64 HB VAL 64 3.444 -14.662 -6.150 501 HG11 VAL 64 HG11 VAL 64 4.941 -16.498 -6.638 502 HG12 VAL 64 HG12 VAL 64 3.422 -16.788 -7.496 503 HG13 VAL 64 HG13 VAL 64 4.848 -16.193 -8.384 504 HG21 VAL 64 HG21 VAL 64 5.858 -14.279 -6.444 505 HG22 VAL 64 HG22 VAL 64 5.609 -13.789 -8.110 506 HG23 VAL 64 HG23 VAL 64 4.924 -12.816 -6.787 507 H GLN 65 H GLN 65 4.154 -12.500 -9.753 508 HA GLN 65 HA GLN 65 5.296 -14.737 -11.158 509 HB2 GLN 65 HB2 GLN 65 5.016 -13.530 -13.369 510 HB3 GLN 65 HB3 GLN 65 3.641 -14.473 -12.823 511 HG2 GLN 65 HG2 GLN 65 3.800 -11.482 -12.324 512 HG3 GLN 65 HG3 GLN 65 3.275 -12.136 -13.863 513 HE21 GLN 65 HE22 GLN 65 2.300 -11.510 -10.601 514 HE22 GLN 65 HE21 GLN 65 0.738 -12.283 -10.704 515 H ALA 66 H ALA 66 7.283 -14.035 -12.144 516 HA ALA 66 HA ALA 66 8.378 -11.615 -10.765 517 HB1 ALA 66 HB1 ALA 66 9.840 -14.115 -11.695 518 HB2 ALA 66 HB2 ALA 66 10.546 -12.718 -10.846 519 HB3 ALA 66 HB3 ALA 66 9.372 -13.743 -10.013 520 H LEU 67 H LEU 67 9.562 -10.157 -11.845 521 HA LEU 67 HA LEU 67 9.559 -10.118 -14.815 522 HB2 LEU 67 HB2 LEU 67 8.792 -7.911 -12.832 523 HB3 LEU 67 HB3 LEU 67 8.912 -7.707 -14.553 524 HG LEU 67 HG LEU 67 7.172 -9.831 -14.490 525 HD11 LEU 67 HD11 LEU 67 5.483 -9.397 -12.804 526 HD12 LEU 67 HD12 LEU 67 7.007 -9.893 -12.093 527 HD13 LEU 67 HD13 LEU 67 6.552 -8.168 -12.062 528 HD21 LEU 67 HD21 LEU 67 6.376 -6.912 -14.150 529 HD22 LEU 67 HD22 LEU 67 6.782 -7.694 -15.702 530 HD23 LEU 67 HD23 LEU 67 5.348 -8.217 -14.791 531 H ASP 68 H ASP 68 10.941 -7.828 -15.253 532 HA ASP 68 HA ASP 68 13.472 -8.902 -15.075 533 HB2 ASP 68 HB2 ASP 68 12.693 -7.251 -16.771 534 HB3 ASP 68 HB3 ASP 68 12.896 -5.968 -15.572 535 H LYS 69 H LYS 69 12.162 -6.376 -12.903 536 HA LYS 69 HA LYS 69 14.387 -6.899 -11.025 537 HB2 LYS 69 HB2 LYS 69 13.586 -4.131 -11.901 538 HB3 LYS 69 HB3 LYS 69 14.691 -4.473 -10.586 539 HG2 LYS 69 HG2 LYS 69 15.192 -5.208 -13.479 540 HG3 LYS 69 HG3 LYS 69 15.819 -3.796 -12.664 541 HD2 LYS 69 HD2 LYS 69 17.079 -5.189 -11.072 542 HD3 LYS 69 HD3 LYS 69 16.459 -6.659 -11.779 543 HE2 LYS 69 HE2 LYS 69 18.106 -4.597 -13.306 544 HE3 LYS 69 HE3 LYS 69 18.773 -6.040 -12.536 545 HZ1 LYS 69 HZ1 LYS 69 16.782 -6.062 -14.750 546 HZ2 LYS 69 HZ2 LYS 69 18.372 -6.441 -14.867 547 HZ3 LYS 69 HZ3 LYS 69 17.368 -7.393 -13.990 548 H GLY 70 H GLY 70 11.548 -7.697 -11.027 549 HA2 GLY 70 HA2 GLY 70 10.799 -6.973 -8.369 550 HA3 GLY 70 HA3 GLY 70 9.893 -5.994 -9.518 551 H LEU 71 H LEU 71 8.173 -7.325 -8.303 552 HA LEU 71 HA LEU 71 7.425 -9.610 -10.067 553 HB2 LEU 71 HB2 LEU 71 6.972 -9.539 -7.063 554 HB3 LEU 71 HB3 LEU 71 6.417 -10.762 -8.182 555 HG LEU 71 HG LEU 71 9.207 -10.701 -8.646 556 HD11 LEU 71 HD11 LEU 71 10.198 -10.882 -6.395 557 HD12 LEU 71 HD12 LEU 71 9.452 -9.283 -6.629 558 HD13 LEU 71 HD13 LEU 71 8.621 -10.515 -5.658 559 HD21 LEU 71 HD21 LEU 71 9.192 -12.896 -7.502 560 HD22 LEU 71 HD22 LEU 71 7.541 -12.543 -6.933 561 HD23 LEU 71 HD23 LEU 71 7.852 -12.701 -8.648 562 H GLU 72 H GLU 72 5.333 -9.632 -10.589 563 HA GLU 72 HA GLU 72 3.451 -7.591 -9.485 564 HB2 GLU 72 HB2 GLU 72 3.357 -9.283 -12.007 565 HB3 GLU 72 HB3 GLU 72 1.871 -8.808 -11.203 566 HG2 GLU 72 HG2 GLU 72 2.528 -6.415 -11.387 567 HG3 GLU 72 HG3 GLU 72 3.910 -6.903 -12.374 568 H ILE 73 H ILE 73 1.686 -8.378 -8.296 569 HA ILE 73 HA ILE 73 1.381 -11.280 -8.157 570 HB ILE 73 HB ILE 73 1.305 -9.475 -5.721 571 HG12 ILE 73 HG12 ILE 73 3.523 -11.224 -6.791 572 HG13 ILE 73 HG13 ILE 73 3.628 -9.581 -6.164 573 HG21 ILE 73 HG21 ILE 73 0.981 -11.530 -4.473 574 HG22 ILE 73 HG22 ILE 73 -0.215 -11.485 -5.743 575 HG23 ILE 73 HG23 ILE 73 1.219 -12.522 -5.943 576 HD11 ILE 73 HD11 ILE 73 3.140 -10.464 -3.904 577 HD12 ILE 73 HD12 ILE 73 3.347 -12.107 -4.553 578 HD13 ILE 73 HD13 ILE 73 4.693 -10.948 -4.604 579 H ILE 74 H ILE 74 -0.699 -11.768 -8.611 580 HA ILE 74 HA ILE 74 -2.821 -9.679 -8.422 581 HB ILE 74 HB ILE 74 -2.518 -12.227 -10.066 582 HG12 ILE 74 HG12 ILE 74 -3.234 -10.846 -11.970 583 HG13 ILE 74 HG13 ILE 74 -3.311 -9.427 -10.952 584 HG21 ILE 74 HG21 ILE 74 -5.081 -10.677 -9.520 585 HG22 ILE 74 HG22 ILE 74 -4.888 -11.898 -10.805 586 HG23 ILE 74 HG23 ILE 74 -4.718 -12.380 -9.127 587 HD11 ILE 74 HD11 ILE 74 -0.804 -11.027 -11.588 588 HD12 ILE 74 HD12 ILE 74 -1.297 -9.527 -12.397 589 HD13 ILE 74 HD13 ILE 74 -0.848 -9.479 -10.686 590 H VAL 75 H VAL 75 -4.612 -10.212 -7.052 591 HA VAL 75 HA VAL 75 -4.252 -12.510 -5.267 592 HB VAL 75 HB VAL 75 -5.047 -9.945 -3.967 593 HG11 VAL 75 HG11 VAL 75 -2.988 -12.055 -3.216 594 HG12 VAL 75 HG12 VAL 75 -3.605 -10.765 -2.155 595 HG13 VAL 75 HG13 VAL 75 -4.695 -12.060 -2.704 596 HG21 VAL 75 HG21 VAL 75 -2.787 -9.098 -3.625 597 HG22 VAL 75 HG22 VAL 75 -2.121 -10.311 -4.744 598 HG23 VAL 75 HG23 VAL 75 -3.200 -9.021 -5.335 599 H THR 76 H THR 76 -6.245 -13.578 -5.125 600 HA THR 76 HA THR 76 -8.542 -12.113 -6.355 601 HB THR 76 HB THR 76 -8.965 -13.895 -7.769 602 HG1 THR 76 HG1 THR 76 -8.144 -15.896 -7.684 603 HG21 THR 76 HG21 THR 76 -6.937 -14.309 -9.063 604 HG22 THR 76 HG22 THR 76 -6.831 -12.666 -8.417 605 HG23 THR 76 HG23 THR 76 -5.907 -13.990 -7.658 606 H LYS 77 H LYS 77 -10.671 -13.419 -6.156 607 HA LYS 77 HA LYS 77 -10.831 -15.136 -3.781 608 HB2 LYS 77 HB2 LYS 77 -12.966 -13.088 -4.354 609 HB3 LYS 77 HB3 LYS 77 -12.841 -14.195 -2.979 610 HG2 LYS 77 HG2 LYS 77 -10.695 -13.013 -2.321 611 HG3 LYS 77 HG3 LYS 77 -11.060 -11.848 -3.603 612 HD2 LYS 77 HD2 LYS 77 -13.385 -11.612 -2.428 613 HD3 LYS 77 HD3 LYS 77 -12.596 -12.571 -1.143 614 HE2 LYS 77 HE2 LYS 77 -10.850 -10.737 -0.957 615 HE3 LYS 77 HE3 LYS 77 -11.703 -9.829 -2.192 616 HZ1 LYS 77 HZ1 LYS 77 -12.791 -10.492 0.500 617 HZ2 LYS 77 HZ2 LYS 77 -12.293 -9.019 -0.024 618 HZ3 LYS 77 HZ3 LYS 77 -13.627 -9.703 -0.675 619 H ALA 78 H ALA 78 -13.071 -16.119 -3.808 620 HA ALA 78 HA ALA 78 -13.707 -17.372 -6.393 621 HB1 ALA 78 HB1 ALA 78 -15.542 -18.423 -5.095 622 HB2 ALA 78 HB2 ALA 78 -13.980 -18.648 -4.285 623 HB3 ALA 78 HB3 ALA 78 -15.129 -17.436 -3.682 624 H GLN 79 H GLN 79 -15.589 -16.845 -7.618 625 HA GLN 79 HA GLN 79 -17.127 -14.405 -6.842 626 HB2 GLN 79 HB2 GLN 79 -15.933 -15.016 -9.584 627 HB3 GLN 79 HB3 GLN 79 -16.942 -13.625 -9.174 628 HG2 GLN 79 HG2 GLN 79 -15.147 -12.985 -7.454 629 HG3 GLN 79 HG3 GLN 79 -14.107 -14.174 -8.247 630 HE21 GLN 79 HE22 GLN 79 -14.091 -13.915 -10.818 631 HE22 GLN 79 HE21 GLN 79 -14.014 -12.269 -11.396 632 H LEU 80 H LEU 80 -17.854 -17.123 -6.412 633 HA LEU 80 HA LEU 80 -19.156 -18.867 -6.951 634 HB2 LEU 80 HB2 LEU 80 -20.824 -17.090 -6.361 635 HB3 LEU 80 HB3 LEU 80 -21.026 -16.745 -8.074 636 HG LEU 80 HG LEU 80 -21.949 -19.028 -8.442 637 HD11 LEU 80 HD11 LEU 80 -21.564 -19.376 -5.437 638 HD12 LEU 80 HD12 LEU 80 -22.542 -20.438 -6.471 639 HD13 LEU 80 HD13 LEU 80 -20.800 -20.338 -6.725 640 HD21 LEU 80 HD21 LEU 80 -24.058 -18.697 -7.248 641 HD22 LEU 80 HD22 LEU 80 -23.279 -17.538 -6.149 642 HD23 LEU 80 HD23 LEU 80 -23.444 -17.163 -7.878 643 H SER 81 H SER 81 -17.097 -18.655 -8.620 644 HA SER 81 HA SER 81 -17.617 -17.734 -11.138 645 HB2 SER 81 HB2 SER 81 -15.324 -19.602 -10.585 646 HB3 SER 81 HB3 SER 81 -15.356 -18.128 -11.553 647 HG SER 81 HG SER 81 -14.320 -17.808 -9.516 648 H LYS 82 H LYS 82 -18.567 -20.878 -10.118 649 HA LYS 82 HA LYS 82 -18.409 -22.260 -12.639 650 HB2 LYS 82 HB2 LYS 82 -20.513 -22.365 -10.432 651 HB3 LYS 82 HB3 LYS 82 -20.472 -23.446 -11.834 652 HG2 LYS 82 HG2 LYS 82 -18.214 -24.243 -11.182 653 HG3 LYS 82 HG3 LYS 82 -18.256 -23.199 -9.744 654 HD2 LYS 82 HD2 LYS 82 -20.253 -24.413 -8.912 655 HD3 LYS 82 HD3 LYS 82 -20.217 -25.456 -10.355 656 HE2 LYS 82 HE2 LYS 82 -17.940 -26.237 -9.728 657 HE3 LYS 82 HE3 LYS 82 -17.979 -25.211 -8.289 658 HZ1 LYS 82 HZ1 LYS 82 -19.826 -27.479 -8.820 659 HZ2 LYS 82 HZ2 LYS 82 -18.580 -27.493 -7.767 660 HZ3 LYS 82 HZ3 LYS 82 -19.867 -26.530 -7.483 661 H ASP 83 H ASP 83 -20.594 -19.714 -11.399 662 HA ASP 83 HA ASP 83 -22.379 -19.748 -13.673 663 HB2 ASP 83 HB2 ASP 83 -22.922 -18.983 -11.325 664 HB3 ASP 83 HB3 ASP 83 -21.883 -17.578 -11.603 665 H LEU 84 H LEU 84 -19.199 -19.036 -13.752 666 HA LEU 84 HA LEU 84 -19.433 -16.761 -15.663 667 HB2 LEU 84 HB2 LEU 84 -17.178 -17.362 -13.694 668 HB3 LEU 84 HB3 LEU 84 -17.141 -16.144 -14.948 669 HG LEU 84 HG LEU 84 -19.037 -16.158 -12.558 670 HD11 LEU 84 HD11 LEU 84 -16.599 -14.421 -13.144 671 HD12 LEU 84 HD12 LEU 84 -17.677 -14.301 -11.730 672 HD13 LEU 84 HD13 LEU 84 -16.666 -15.736 -11.952 673 HD21 LEU 84 HD21 LEU 84 -20.066 -14.994 -14.460 674 HD22 LEU 84 HD22 LEU 84 -19.537 -13.812 -13.259 675 HD23 LEU 84 HD23 LEU 84 -18.578 -14.070 -14.736 676 H ASP 85 H ASP 85 -17.770 -19.793 -14.685 677 HA ASP 85 HA ASP 85 -16.386 -20.207 -17.170 678 HB2 ASP 85 HB2 ASP 85 -15.788 -21.437 -15.146 679 HB3 ASP 85 HB3 ASP 85 -17.412 -22.137 -15.050 680 H LYS 86 H LYS 86 -19.647 -21.126 -15.928 681 HA LYS 86 HA LYS 86 -20.442 -22.272 -18.525 682 HB2 LYS 86 HB2 LYS 86 -22.063 -21.650 -16.038 683 HB3 LYS 86 HB3 LYS 86 -22.679 -22.421 -17.497 684 HG2 LYS 86 HG2 LYS 86 -20.608 -23.515 -15.559 685 HG3 LYS 86 HG3 LYS 86 -22.248 -24.078 -15.884 686 HD2 LYS 86 HD2 LYS 86 -21.540 -24.765 -18.193 687 HD3 LYS 86 HD3 LYS 86 -19.892 -24.262 -17.792 688 HE2 LYS 86 HE2 LYS 86 -19.879 -26.573 -17.437 689 HE3 LYS 86 HE3 LYS 86 -19.932 -25.834 -15.832 690 HZ1 LYS 86 HZ1 LYS 86 -22.318 -26.359 -15.751 691 HZ2 LYS 86 HZ2 LYS 86 -22.266 -26.993 -17.266 692 HZ3 LYS 86 HZ3 LYS 86 -21.460 -27.713 -16.049 693 H LEU 87 H LEU 87 -22.239 -21.399 -19.754 694 HA LEU 87 HA LEU 87 -22.360 -18.452 -19.800 695 HB2 LEU 87 HB2 LEU 87 -20.257 -19.346 -20.891 696 HB3 LEU 87 HB3 LEU 87 -21.301 -20.066 -22.121 697 HG LEU 87 HG LEU 87 -22.045 -17.869 -22.861 698 HD11 LEU 87 HD11 LEU 87 -20.551 -16.782 -20.427 699 HD12 LEU 87 HD12 LEU 87 -21.054 -15.768 -21.799 700 HD13 LEU 87 HD13 LEU 87 -22.270 -16.560 -20.810 701 HD21 LEU 87 HD21 LEU 87 -19.085 -17.870 -22.200 702 HD22 LEU 87 HD22 LEU 87 -19.832 -18.713 -23.577 703 HD23 LEU 87 HD23 LEU 87 -19.861 -16.936 -23.513 704 H VAL 88 H VAL 88 -23.973 -17.708 -21.421 705 HA VAL 88 HA VAL 88 -25.821 -19.728 -22.510 706 HB VAL 88 HB VAL 88 -27.761 -18.497 -21.653 707 HG11 VAL 88 HG11 VAL 88 -26.906 -20.451 -20.383 708 HG12 VAL 88 HG12 VAL 88 -25.995 -19.345 -19.331 709 HG13 VAL 88 HG13 VAL 88 -27.762 -19.272 -19.382 710 HG21 VAL 88 HG21 VAL 88 -26.782 -16.280 -21.353 711 HG22 VAL 88 HG22 VAL 88 -27.583 -16.838 -19.883 712 HG23 VAL 88 HG23 VAL 88 -25.812 -16.873 -19.981 713 HA PRO 89 HA PRO 89 -25.894 -17.122 -26.075 714 HB2 PRO 89 HB2 PRO 89 -28.907 -17.077 -25.868 715 HB3 PRO 89 HB3 PRO 89 -27.869 -17.456 -27.282 716 HG2 PRO 89 HG2 PRO 89 -29.074 -19.431 -25.878 717 HG3 PRO 89 HG3 PRO 89 -27.395 -19.624 -26.477 718 HD2 PRO 89 HD2 PRO 89 -28.314 -18.968 -23.692 719 HD3 PRO 89 HD3 PRO 89 -26.973 -19.993 -24.240 720 H ARG 90 H ARG 90 -26.376 -14.980 -26.864 721 HA ARG 90 HA ARG 90 -26.500 -12.865 -24.925 722 HB2 ARG 90 HB2 ARG 90 -26.851 -12.886 -27.962 723 HB3 ARG 90 HB3 ARG 90 -26.868 -11.438 -26.973 724 HG2 ARG 90 HG2 ARG 90 -24.700 -11.592 -27.929 725 HG3 ARG 90 HG3 ARG 90 -24.574 -11.880 -26.195 726 HD2 ARG 90 HD2 ARG 90 -23.068 -13.301 -27.515 727 HD3 ARG 90 HD3 ARG 90 -24.191 -14.240 -26.533 728 HE ARG 90 HE ARG 90 -25.182 -13.768 -29.219 729 HH11 ARG 90 HH21 ARG 90 -22.856 -15.815 -27.460 730 HH12 ARG 90 HH22 ARG 90 -22.934 -17.112 -28.595 731 HH21 ARG 90 HH11 ARG 90 -25.282 -15.502 -30.728 732 HH22 ARG 90 HH12 ARG 90 -24.316 -16.914 -30.501 Start of MODEL 13 1 H1 MET 1 H1 MET 1 6.537 1.721 -4.235 2 H2 MET 1 H2 MET 1 5.530 1.471 -2.974 3 H3 MET 1 H3 MET 1 6.970 0.656 -3.063 4 HA MET 1 HA MET 1 6.272 -0.471 -5.061 5 HB2 MET 1 HB2 MET 1 4.941 -2.131 -4.098 6 HB3 MET 1 HB3 MET 1 5.919 -1.512 -2.797 7 HG2 MET 1 HG2 MET 1 3.921 -0.132 -2.051 8 HG3 MET 1 HG3 MET 1 2.954 -0.967 -3.258 9 HE1 MET 1 HE1 MET 1 2.964 -4.636 -1.982 10 HE2 MET 1 HE2 MET 1 2.066 -3.454 -2.965 11 HE3 MET 1 HE3 MET 1 3.757 -3.798 -3.335 12 H GLU 2 H GLU 2 3.821 -1.409 -5.858 13 HA GLU 2 HA GLU 2 2.353 0.987 -6.879 14 HB2 GLU 2 HB2 GLU 2 4.132 -1.024 -8.175 15 HB3 GLU 2 HB3 GLU 2 2.592 -0.940 -8.949 16 HG2 GLU 2 HG2 GLU 2 4.328 1.504 -8.385 17 HG3 GLU 2 HG3 GLU 2 4.366 0.584 -9.880 18 H ILE 3 H ILE 3 0.103 0.618 -6.806 19 HA ILE 3 HA ILE 3 -0.859 -2.092 -5.989 20 HB ILE 3 HB ILE 3 -1.938 0.609 -5.179 21 HG12 ILE 3 HG12 ILE 3 0.192 0.341 -4.041 22 HG13 ILE 3 HG13 ILE 3 -1.163 0.169 -2.956 23 HG21 ILE 3 HG21 ILE 3 -3.201 -0.754 -3.449 24 HG22 ILE 3 HG22 ILE 3 -3.739 -0.974 -5.104 25 HG23 ILE 3 HG23 ILE 3 -2.724 -2.217 -4.336 26 HD11 ILE 3 HD11 ILE 3 -0.871 -2.300 -2.925 27 HD12 ILE 3 HD12 ILE 3 0.541 -2.095 -3.999 28 HD13 ILE 3 HD13 ILE 3 0.541 -1.410 -2.354 29 H GLU 4 H GLU 4 -2.915 -2.754 -6.984 30 HA GLU 4 HA GLU 4 -4.379 -0.785 -8.618 31 HB2 GLU 4 HB2 GLU 4 -2.880 -2.126 -10.117 32 HB3 GLU 4 HB3 GLU 4 -3.580 -3.592 -9.449 33 HG2 GLU 4 HG2 GLU 4 -4.534 -3.082 -11.548 34 HG3 GLU 4 HG3 GLU 4 -5.785 -2.969 -10.345 35 H ARG 5 H ARG 5 -6.585 -1.273 -8.784 36 HA ARG 5 HA ARG 5 -7.737 -3.334 -6.928 37 HB2 ARG 5 HB2 ARG 5 -8.218 -1.200 -6.012 38 HB3 ARG 5 HB3 ARG 5 -8.594 -0.507 -7.581 39 HG2 ARG 5 HG2 ARG 5 -10.591 -0.833 -6.255 40 HG3 ARG 5 HG3 ARG 5 -10.663 -1.754 -7.744 41 HD2 ARG 5 HD2 ARG 5 -11.598 -3.124 -6.060 42 HD3 ARG 5 HD3 ARG 5 -10.003 -3.813 -6.389 43 HE ARG 5 HE ARG 5 -10.030 -1.879 -4.195 44 HH11 ARG 5 HH21 ARG 5 -10.923 -5.324 -4.857 45 HH12 ARG 5 HH22 ARG 5 -10.682 -5.719 -3.148 46 HH21 ARG 5 HH12 ARG 5 -9.836 -2.543 -2.112 47 HH22 ARG 5 HH11 ARG 5 -9.993 -4.265 -1.686 48 H ILE 6 H ILE 6 -8.097 -5.053 -8.443 49 HA ILE 6 HA ILE 6 -8.756 -4.498 -11.196 50 HB ILE 6 HB ILE 6 -9.015 -7.043 -9.546 51 HG12 ILE 6 HG12 ILE 6 -6.736 -6.320 -9.359 52 HG13 ILE 6 HG13 ILE 6 -6.836 -7.642 -10.478 53 HG21 ILE 6 HG21 ILE 6 -8.890 -6.683 -12.555 54 HG22 ILE 6 HG22 ILE 6 -8.807 -8.236 -11.679 55 HG23 ILE 6 HG23 ILE 6 -10.277 -7.255 -11.601 56 HD11 ILE 6 HD11 ILE 6 -6.595 -4.731 -11.267 57 HD12 ILE 6 HD12 ILE 6 -5.279 -5.910 -11.294 58 HD13 ILE 6 HD13 ILE 6 -6.650 -6.097 -12.399 59 H ASN 7 H ASN 7 -10.490 -5.833 -8.388 60 HA ASN 7 HA ASN 7 -12.979 -4.452 -8.899 61 HB2 ASN 7 HB2 ASN 7 -14.373 -6.422 -9.362 62 HB3 ASN 7 HB3 ASN 7 -13.185 -6.211 -10.616 63 HD21 ASN 7 HD22 ASN 7 -13.697 -8.511 -11.143 64 HD22 ASN 7 HD21 ASN 7 -12.900 -9.769 -10.224 65 H GLU 8 H GLU 8 -14.676 -5.934 -7.248 66 HA GLU 8 HA GLU 8 -13.661 -5.336 -4.688 67 HB2 GLU 8 HB2 GLU 8 -16.121 -5.720 -5.636 68 HB3 GLU 8 HB3 GLU 8 -15.844 -7.388 -5.132 69 HG2 GLU 8 HG2 GLU 8 -16.948 -6.394 -3.322 70 HG3 GLU 8 HG3 GLU 8 -15.274 -6.406 -2.800 71 H HIS 9 H HIS 9 -12.998 -8.126 -6.619 72 HA HIS 9 HA HIS 9 -12.732 -9.917 -4.246 73 HB2 HIS 9 HB2 HIS 9 -13.186 -10.472 -7.197 74 HB3 HIS 9 HB3 HIS 9 -12.954 -11.692 -5.957 75 HD1 HIS 9 HD1 HIS 9 -15.711 -9.826 -7.594 76 HD2 HIS 9 HD2 HIS 9 -14.868 -11.238 -3.704 77 HE1 HIS 9 HE1 HIS 9 -17.893 -9.757 -6.296 78 H THR 10 H THR 10 -11.025 -8.676 -7.064 79 HA THR 10 HA THR 10 -8.521 -9.959 -6.100 80 HB THR 10 HB THR 10 -9.441 -9.152 -8.875 81 HG1 THR 10 HG1 THR 10 -9.709 -11.353 -9.171 82 HG21 THR 10 HG21 THR 10 -6.913 -10.645 -8.070 83 HG22 THR 10 HG22 THR 10 -7.465 -10.310 -9.739 84 HG23 THR 10 HG23 THR 10 -6.969 -8.989 -8.679 85 H VAL 11 H VAL 11 -6.774 -8.736 -5.809 86 HA VAL 11 HA VAL 11 -6.682 -6.008 -6.926 87 HB VAL 11 HB VAL 11 -5.446 -5.146 -4.992 88 HG11 VAL 11 HG11 VAL 11 -8.167 -6.180 -4.114 89 HG12 VAL 11 HG12 VAL 11 -7.327 -4.720 -3.549 90 HG13 VAL 11 HG13 VAL 11 -7.926 -4.804 -5.211 91 HG21 VAL 11 HG21 VAL 11 -5.516 -6.227 -2.794 92 HG22 VAL 11 HG22 VAL 11 -6.281 -7.663 -3.497 93 HG23 VAL 11 HG23 VAL 11 -4.612 -7.205 -3.956 94 H LYS 12 H LYS 12 -4.397 -5.455 -7.435 95 HA LYS 12 HA LYS 12 -2.527 -7.661 -6.996 96 HB2 LYS 12 HB2 LYS 12 -1.750 -7.939 -9.144 97 HB3 LYS 12 HB3 LYS 12 -3.500 -7.976 -9.347 98 HG2 LYS 12 HG2 LYS 12 -3.445 -5.667 -10.169 99 HG3 LYS 12 HG3 LYS 12 -1.679 -5.628 -9.984 100 HD2 LYS 12 HD2 LYS 12 -1.503 -7.609 -11.507 101 HD3 LYS 12 HD3 LYS 12 -3.259 -7.524 -11.807 102 HE2 LYS 12 HE2 LYS 12 -3.058 -5.330 -12.806 103 HE3 LYS 12 HE3 LYS 12 -1.422 -5.156 -12.138 104 HZ1 LYS 12 HZ1 LYS 12 -2.100 -7.123 -14.256 105 HZ2 LYS 12 HZ2 LYS 12 -1.423 -5.659 -14.536 106 HZ3 LYS 12 HZ3 LYS 12 -0.595 -6.761 -13.655 107 H PHE 13 H PHE 13 -0.264 -6.898 -7.450 108 HA PHE 13 HA PHE 13 0.104 -4.004 -7.321 109 HB2 PHE 13 HB2 PHE 13 1.250 -4.097 -5.156 110 HB3 PHE 13 HB3 PHE 13 -0.422 -4.567 -4.986 111 HD1 PHE 13 HD1 PHE 13 -1.019 -6.931 -4.494 112 HD2 PHE 13 HD2 PHE 13 3.071 -5.622 -4.818 113 HE1 PHE 13 HE1 PHE 13 -0.279 -8.880 -3.118 114 HE2 PHE 13 HE2 PHE 13 3.797 -7.533 -3.426 115 HZ PHE 13 HZ PHE 13 2.106 -9.077 -2.448 116 H TYR 14 H TYR 14 2.520 -3.579 -7.210 117 HA TYR 14 HA TYR 14 4.118 -5.799 -8.352 118 HB2 TYR 14 HB2 TYR 14 3.477 -4.554 -10.260 119 HB3 TYR 14 HB3 TYR 14 3.697 -3.024 -9.456 120 HD1 TYR 14 HD2 TYR 14 5.491 -6.010 -10.754 121 HD2 TYR 14 HD1 TYR 14 5.829 -2.000 -9.252 122 HE1 TYR 14 HE2 TYR 14 7.870 -6.041 -11.362 123 HE2 TYR 14 HE1 TYR 14 8.286 -2.006 -9.812 124 HH TYR 14 HH TYR 14 10.048 -3.201 -10.794 125 H MET 15 H MET 15 6.077 -5.923 -7.528 126 HA MET 15 HA MET 15 6.815 -4.054 -5.316 127 HB2 MET 15 HB2 MET 15 5.586 -6.294 -4.744 128 HB3 MET 15 HB3 MET 15 7.096 -7.057 -5.238 129 HG2 MET 15 HG2 MET 15 7.267 -6.764 -2.943 130 HG3 MET 15 HG3 MET 15 8.229 -5.446 -3.622 131 HE1 MET 15 HE1 MET 15 7.624 -4.880 -0.596 132 HE2 MET 15 HE2 MET 15 5.881 -4.757 -0.179 133 HE3 MET 15 HE3 MET 15 6.549 -6.273 -0.805 134 H SER 16 H SER 16 8.673 -3.144 -6.100 135 HA SER 16 HA SER 16 10.478 -4.510 -7.899 136 HB2 SER 16 HB2 SER 16 11.069 -2.102 -6.182 137 HB3 SER 16 HB3 SER 16 11.839 -2.564 -7.715 138 HG SER 16 HG SER 16 10.273 -0.875 -7.957 139 H TYR 17 H TYR 17 12.640 -5.288 -7.331 140 HA TYR 17 HA TYR 17 12.885 -6.730 -4.927 141 HB2 TYR 17 HB2 TYR 17 15.128 -5.557 -6.592 142 HB3 TYR 17 HB3 TYR 17 15.290 -6.865 -5.426 143 HD1 TYR 17 HD2 TYR 17 12.561 -8.294 -6.306 144 HD2 TYR 17 HD1 TYR 17 16.030 -6.813 -8.426 145 HE1 TYR 17 HE2 TYR 17 12.191 -9.944 -8.054 146 HE2 TYR 17 HE1 TYR 17 15.628 -8.436 -10.222 147 HH TYR 17 HH TYR 17 14.271 -10.251 -10.976 148 H GLY 18 H GLY 18 13.866 -3.362 -5.604 149 HA2 GLY 18 HA2 GLY 18 15.170 -2.848 -3.152 150 HA3 GLY 18 HA3 GLY 18 14.396 -1.667 -4.201 151 H ASP 19 H ASP 19 11.653 -2.882 -3.938 152 HA ASP 19 HA ASP 19 10.812 -1.504 -1.528 153 HB2 ASP 19 HB2 ASP 19 9.473 -3.080 -3.722 154 HB3 ASP 19 HB3 ASP 19 8.675 -3.089 -2.175 155 H ILE 20 H ILE 20 11.354 -4.885 -2.455 156 HA ILE 20 HA ILE 20 10.365 -6.105 -0.034 157 HB ILE 20 HB ILE 20 12.114 -6.919 -2.386 158 HG12 ILE 20 HG12 ILE 20 9.438 -8.061 -1.514 159 HG13 ILE 20 HG13 ILE 20 9.568 -6.562 -2.423 160 HG21 ILE 20 HG21 ILE 20 11.360 -8.753 -0.094 161 HG22 ILE 20 HG22 ILE 20 12.095 -9.239 -1.630 162 HG23 ILE 20 HG23 ILE 20 13.006 -8.204 -0.529 163 HD11 ILE 20 HD11 ILE 20 10.714 -7.695 -4.268 164 HD12 ILE 20 HD12 ILE 20 10.581 -9.249 -3.399 165 HD13 ILE 20 HD13 ILE 20 9.117 -8.389 -3.942 166 H GLU 21 H GLU 21 13.657 -5.205 -1.211 167 HA GLU 21 HA GLU 21 15.220 -6.020 0.968 168 HB2 GLU 21 HB2 GLU 21 16.050 -5.576 -1.173 169 HB3 GLU 21 HB3 GLU 21 15.304 -3.999 -1.262 170 HG2 GLU 21 HG2 GLU 21 17.631 -3.912 -1.004 171 HG3 GLU 21 HG3 GLU 21 16.741 -3.084 0.275 172 H ASP 22 H ASP 22 13.436 -2.951 0.286 173 HA ASP 22 HA ASP 22 14.703 -1.516 2.282 174 HB2 ASP 22 HB2 ASP 22 13.279 -0.496 0.529 175 HB3 ASP 22 HB3 ASP 22 11.848 -1.185 1.264 176 H ARG 23 H ARG 23 11.802 -3.429 2.273 177 HA ARG 23 HA ARG 23 11.018 -3.074 5.055 178 HB2 ARG 23 HB2 ARG 23 10.245 -5.100 2.917 179 HB3 ARG 23 HB3 ARG 23 9.494 -5.019 4.522 180 HG2 ARG 23 HG2 ARG 23 8.480 -2.947 4.120 181 HG3 ARG 23 HG3 ARG 23 9.524 -2.589 2.739 182 HD2 ARG 23 HD2 ARG 23 8.487 -4.337 1.400 183 HD3 ARG 23 HD3 ARG 23 7.485 -4.857 2.746 184 HE ARG 23 HE ARG 23 6.065 -3.091 2.466 185 HH11 ARG 23 HH11 ARG 23 8.979 -2.405 0.501 186 HH12 ARG 23 HH12 ARG 23 8.197 -1.154 -0.429 187 HH21 ARG 23 HH21 ARG 23 5.149 -1.359 1.410 188 HH22 ARG 23 HH22 ARG 23 6.027 -0.425 0.225 189 H GLY 24 H GLY 24 13.644 -4.675 3.674 190 HA2 GLY 24 HA2 GLY 24 15.281 -5.865 4.696 191 HA3 GLY 24 HA3 GLY 24 14.299 -5.963 6.161 192 H PHE 25 H PHE 25 12.645 -7.005 3.342 193 HA PHE 25 HA PHE 25 13.037 -9.894 3.983 194 HB2 PHE 25 HB2 PHE 25 11.110 -8.493 2.088 195 HB3 PHE 25 HB3 PHE 25 11.203 -10.234 2.346 196 HD1 PHE 25 HD1 PHE 25 10.517 -7.009 4.083 197 HD2 PHE 25 HD2 PHE 25 9.800 -11.260 4.077 198 HE1 PHE 25 HE1 PHE 25 9.014 -6.760 6.036 199 HE2 PHE 25 HE2 PHE 25 8.349 -11.012 6.008 200 HZ PHE 25 HZ PHE 25 7.926 -8.767 7.019 201 H ASP 26 H ASP 26 13.090 -11.126 1.549 202 HA ASP 26 HA ASP 26 14.977 -9.677 -0.204 203 HB2 ASP 26 HB2 ASP 26 16.065 -11.441 1.600 204 HB3 ASP 26 HB3 ASP 26 15.647 -12.526 0.292 205 H ARG 27 H ARG 27 14.972 -10.627 -2.382 206 HA ARG 27 HA ARG 27 12.242 -11.073 -3.045 207 HB2 ARG 27 HB2 ARG 27 12.956 -11.120 -5.363 208 HB3 ARG 27 HB3 ARG 27 13.847 -9.869 -4.492 209 HG2 ARG 27 HG2 ARG 27 15.831 -11.369 -4.354 210 HG3 ARG 27 HG3 ARG 27 14.934 -12.625 -5.230 211 HD2 ARG 27 HD2 ARG 27 14.724 -11.159 -7.173 212 HD3 ARG 27 HD3 ARG 27 15.597 -9.871 -6.325 213 HE ARG 27 HE ARG 27 17.526 -11.446 -6.160 214 HH11 ARG 27 HH11 ARG 27 15.266 -11.748 -8.903 215 HH12 ARG 27 HH12 ARG 27 16.406 -12.559 -9.918 216 HH21 ARG 27 HH21 ARG 27 19.018 -12.525 -7.509 217 HH22 ARG 27 HH22 ARG 27 18.585 -12.987 -9.115 218 H GLU 28 H GLU 28 14.834 -13.432 -2.654 219 HA GLU 28 HA GLU 28 13.086 -15.633 -3.606 220 HB2 GLU 28 HB2 GLU 28 15.846 -15.605 -2.355 221 HB3 GLU 28 HB3 GLU 28 15.010 -17.042 -2.898 222 HG2 GLU 28 HG2 GLU 28 14.878 -16.029 -5.212 223 HG3 GLU 28 HG3 GLU 28 15.920 -14.729 -4.638 224 H GLU 29 H GLU 29 14.408 -14.269 -0.568 225 HA GLU 29 HA GLU 29 13.618 -16.355 1.142 226 HB2 GLU 29 HB2 GLU 29 14.028 -13.364 1.594 227 HB3 GLU 29 HB3 GLU 29 13.806 -14.458 2.925 228 HG2 GLU 29 HG2 GLU 29 16.042 -14.714 0.870 229 HG3 GLU 29 HG3 GLU 29 16.143 -13.910 2.418 230 H ILE 30 H ILE 30 11.874 -13.530 0.095 231 HA ILE 30 HA ILE 30 9.476 -13.608 1.527 232 HB ILE 30 HB ILE 30 10.062 -13.217 -1.403 233 HG12 ILE 30 HG12 ILE 30 10.673 -11.557 0.536 234 HG13 ILE 30 HG13 ILE 30 10.075 -11.005 -1.005 235 HG21 ILE 30 HG21 ILE 30 7.797 -12.279 -1.758 236 HG22 ILE 30 HG22 ILE 30 7.791 -14.021 -1.505 237 HG23 ILE 30 HG23 ILE 30 7.282 -12.964 -0.189 238 HD11 ILE 30 HD11 ILE 30 8.364 -11.301 1.516 239 HD12 ILE 30 HD12 ILE 30 9.091 -9.783 0.952 240 HD13 ILE 30 HD13 ILE 30 7.847 -10.559 -0.016 241 H TRP 31 H TRP 31 10.281 -15.704 -1.319 242 HA TRP 31 HA TRP 31 7.809 -17.164 -1.073 243 HB2 TRP 31 HB2 TRP 31 10.318 -17.824 -2.627 244 HB3 TRP 31 HB3 TRP 31 8.741 -18.521 -2.909 245 HD1 TRP 31 HD1 TRP 31 10.890 -16.026 -4.285 246 HE1 TRP 31 HE1 TRP 31 9.746 -14.012 -5.340 247 HE3 TRP 31 HE3 TRP 31 6.102 -16.903 -2.672 248 HZ2 TRP 31 HZ2 TRP 31 7.096 -12.779 -5.264 249 HZ3 TRP 31 HZ3 TRP 31 4.286 -15.307 -3.219 250 HH2 TRP 31 HH2 TRP 31 4.774 -13.235 -4.493 251 H TYR 32 H TYR 32 11.173 -17.787 -0.115 252 HA TYR 32 HA TYR 32 10.532 -20.536 0.599 253 HB2 TYR 32 HB2 TYR 32 13.136 -18.978 0.701 254 HB3 TYR 32 HB3 TYR 32 12.979 -20.719 0.920 255 HD1 TYR 32 HD1 TYR 32 11.397 -21.888 -1.006 256 HD2 TYR 32 HD2 TYR 32 13.838 -18.370 -1.464 257 HE1 TYR 32 HE1 TYR 32 11.392 -22.211 -3.443 258 HE2 TYR 32 HE2 TYR 32 13.743 -18.603 -3.916 259 HH TYR 32 HH TYR 32 12.999 -19.922 -5.725 260 H ASN 33 H ASN 33 9.987 -17.782 2.311 261 HA ASN 33 HA ASN 33 9.959 -19.283 4.884 262 HB2 ASN 33 HB2 ASN 33 10.496 -16.333 4.350 263 HB3 ASN 33 HB3 ASN 33 10.192 -17.017 5.921 264 HD21 ASN 33 HD22 ASN 33 12.426 -16.624 3.339 265 HD22 ASN 33 HD21 ASN 33 13.892 -17.076 4.196 266 H ARG 34 H ARG 34 7.793 -19.984 4.222 267 HA ARG 34 HA ARG 34 5.955 -18.472 2.821 268 HB2 ARG 34 HB2 ARG 34 5.700 -20.845 3.158 269 HB3 ARG 34 HB3 ARG 34 5.461 -20.639 4.901 270 HG2 ARG 34 HG2 ARG 34 3.321 -19.574 4.578 271 HG3 ARG 34 HG3 ARG 34 3.586 -19.411 2.836 272 HD2 ARG 34 HD2 ARG 34 3.540 -21.864 2.582 273 HD3 ARG 34 HD3 ARG 34 3.373 -22.045 4.345 274 HE ARG 34 HE ARG 34 1.280 -20.372 3.395 275 HH11 ARG 34 HH11 ARG 34 2.252 -23.790 3.232 276 HH12 ARG 34 HH12 ARG 34 0.639 -24.386 3.055 277 HH21 ARG 34 HH21 ARG 34 -0.867 -21.168 3.180 278 HH22 ARG 34 HH22 ARG 34 -1.172 -22.861 3.031 279 H GLU 35 H GLU 35 6.407 -18.390 6.392 280 HA GLU 35 HA GLU 35 4.007 -16.815 6.733 281 HB2 GLU 35 HB2 GLU 35 4.717 -16.526 9.029 282 HB3 GLU 35 HB3 GLU 35 4.806 -18.214 8.579 283 HG2 GLU 35 HG2 GLU 35 7.245 -16.377 8.649 284 HG3 GLU 35 HG3 GLU 35 6.672 -17.266 10.041 285 H ARG 36 H ARG 36 7.330 -16.076 5.878 286 HA ARG 36 HA ARG 36 7.047 -13.216 6.494 287 HB2 ARG 36 HB2 ARG 36 9.257 -14.801 5.201 288 HB3 ARG 36 HB3 ARG 36 9.292 -13.099 5.493 289 HG2 ARG 36 HG2 ARG 36 9.309 -15.327 7.550 290 HG3 ARG 36 HG3 ARG 36 10.505 -14.060 7.274 291 HD2 ARG 36 HD2 ARG 36 8.859 -12.364 8.132 292 HD3 ARG 36 HD3 ARG 36 7.731 -13.694 8.470 293 HE ARG 36 HE ARG 36 10.348 -14.029 9.691 294 HH11 ARG 36 HH11 ARG 36 7.085 -12.587 10.157 295 HH12 ARG 36 HH12 ARG 36 7.227 -12.579 11.883 296 HH21 ARG 36 HH21 ARG 36 10.479 -14.008 11.978 297 HH22 ARG 36 HH22 ARG 36 9.180 -13.391 12.928 298 H SER 37 H SER 37 6.408 -15.437 3.878 299 HA SER 37 HA SER 37 6.160 -13.417 1.821 300 HB2 SER 37 HB2 SER 37 5.496 -16.258 2.142 301 HB3 SER 37 HB3 SER 37 4.174 -15.366 1.375 302 HG SER 37 HG SER 37 6.865 -15.580 0.623 303 H GLU 38 H GLU 38 3.923 -14.818 4.301 304 HA GLU 38 HA GLU 38 1.614 -13.658 3.513 305 HB2 GLU 38 HB2 GLU 38 2.272 -15.361 5.434 306 HB3 GLU 38 HB3 GLU 38 2.170 -13.913 6.453 307 HG2 GLU 38 HG2 GLU 38 -0.102 -13.498 5.490 308 HG3 GLU 38 HG3 GLU 38 -0.001 -15.015 4.606 309 H GLU 39 H GLU 39 4.156 -12.042 5.208 310 HA GLU 39 HA GLU 39 2.676 -9.867 6.303 311 HB2 GLU 39 HB2 GLU 39 5.550 -9.497 5.533 312 HB3 GLU 39 HB3 GLU 39 4.749 -9.087 7.032 313 HG2 GLU 39 HG2 GLU 39 5.591 -11.875 6.228 314 HG3 GLU 39 HG3 GLU 39 6.541 -10.764 7.094 315 H LEU 40 H LEU 40 4.069 -10.551 3.150 316 HA LEU 40 HA LEU 40 4.314 -7.806 2.223 317 HB2 LEU 40 HB2 LEU 40 5.448 -9.962 1.299 318 HB3 LEU 40 HB3 LEU 40 3.882 -10.361 0.646 319 HG LEU 40 HG LEU 40 5.946 -8.500 -0.343 320 HD11 LEU 40 HD11 LEU 40 5.498 -10.571 -1.405 321 HD12 LEU 40 HD12 LEU 40 3.829 -10.094 -1.725 322 HD13 LEU 40 HD13 LEU 40 5.179 -9.212 -2.489 323 HD21 LEU 40 HD21 LEU 40 3.069 -7.656 -0.750 324 HD22 LEU 40 HD22 LEU 40 4.282 -6.780 0.220 325 HD23 LEU 40 HD23 LEU 40 4.512 -6.958 -1.501 326 H PHE 41 H PHE 41 1.982 -10.484 2.093 327 HA PHE 41 HA PHE 41 0.052 -9.186 0.470 328 HB2 PHE 41 HB2 PHE 41 -0.555 -11.421 2.416 329 HB3 PHE 41 HB3 PHE 41 -1.261 -11.136 0.845 330 HD1 PHE 41 HD2 PHE 41 1.610 -10.734 -0.574 331 HD2 PHE 41 HD1 PHE 41 0.048 -13.662 2.159 332 HE1 PHE 41 HE2 PHE 41 3.336 -12.336 -1.283 333 HE2 PHE 41 HE1 PHE 41 1.638 -15.340 1.265 334 HZ PHE 41 HZ PHE 41 3.262 -14.689 -0.512 335 H TRP 42 H TRP 42 0.319 -9.713 4.034 336 HA TRP 42 HA TRP 42 -2.066 -8.452 4.766 337 HB2 TRP 42 HB2 TRP 42 0.610 -8.807 6.123 338 HB3 TRP 42 HB3 TRP 42 -0.616 -7.817 6.882 339 HD1 TRP 42 HD1 TRP 42 0.453 -11.308 6.754 340 HE1 TRP 42 HE1 TRP 42 -1.300 -12.916 7.644 341 HE3 TRP 42 HE3 TRP 42 -3.548 -8.111 6.831 342 HZ2 TRP 42 HZ2 TRP 42 -4.146 -12.831 8.308 343 HZ3 TRP 42 HZ3 TRP 42 -5.778 -8.914 7.555 344 HH2 TRP 42 HH2 TRP 42 -6.087 -11.269 8.296 345 H GLU 43 H GLU 43 1.067 -6.837 3.886 346 HA GLU 43 HA GLU 43 0.207 -4.275 4.758 347 HB2 GLU 43 HB2 GLU 43 2.586 -5.065 4.226 348 HB3 GLU 43 HB3 GLU 43 2.176 -4.888 2.509 349 HG2 GLU 43 HG2 GLU 43 1.553 -2.508 2.952 350 HG3 GLU 43 HG3 GLU 43 2.083 -2.694 4.629 351 H VAL 44 H VAL 44 -0.215 -6.002 1.576 352 HA VAL 44 HA VAL 44 -1.121 -3.581 0.318 353 HB VAL 44 HB VAL 44 -1.707 -5.124 -1.508 354 HG11 VAL 44 HG11 VAL 44 0.519 -3.948 -1.263 355 HG12 VAL 44 HG12 VAL 44 1.141 -5.386 -0.409 356 HG13 VAL 44 HG13 VAL 44 0.676 -5.512 -2.103 357 HG21 VAL 44 HG21 VAL 44 -0.949 -7.339 -1.599 358 HG22 VAL 44 HG22 VAL 44 -0.184 -7.216 -0.013 359 HG23 VAL 44 HG23 VAL 44 -1.977 -7.239 -0.197 360 H MET 45 H MET 45 -2.736 -6.498 1.585 361 HA MET 45 HA MET 45 -5.405 -5.750 1.097 362 HB2 MET 45 HB2 MET 45 -4.134 -7.136 3.508 363 HB3 MET 45 HB3 MET 45 -5.852 -7.074 3.166 364 HG2 MET 45 HG2 MET 45 -3.714 -8.458 1.523 365 HG3 MET 45 HG3 MET 45 -4.963 -9.204 2.490 366 HE1 MET 45 HE1 MET 45 -8.159 -8.449 0.327 367 HE2 MET 45 HE2 MET 45 -7.520 -9.067 1.870 368 HE3 MET 45 HE3 MET 45 -7.496 -7.324 1.536 369 H ASP 46 H ASP 46 -3.191 -4.889 3.834 370 HA ASP 46 HA ASP 46 -5.022 -3.285 5.235 371 HB2 ASP 46 HB2 ASP 46 -2.872 -4.006 6.165 372 HB3 ASP 46 HB3 ASP 46 -2.006 -2.963 5.059 373 H GLU 47 H GLU 47 -2.862 -2.410 2.522 374 HA GLU 47 HA GLU 47 -3.178 0.357 2.525 375 HB2 GLU 47 HB2 GLU 47 -2.220 -1.787 0.740 376 HB3 GLU 47 HB3 GLU 47 -2.978 -0.517 -0.163 377 HG2 GLU 47 HG2 GLU 47 -0.644 -0.251 1.761 378 HG3 GLU 47 HG3 GLU 47 -0.574 -0.262 0.022 379 H VAL 48 H VAL 48 -5.562 -2.025 1.874 380 HA VAL 48 HA VAL 48 -7.404 -0.037 0.629 381 HB VAL 48 HB VAL 48 -8.123 -1.634 -1.007 382 HG11 VAL 48 HG11 VAL 48 -6.088 -0.281 -1.545 383 HG12 VAL 48 HG12 VAL 48 -5.091 -1.673 -1.053 384 HG13 VAL 48 HG13 VAL 48 -6.186 -1.814 -2.443 385 HG21 VAL 48 HG21 VAL 48 -7.823 -3.734 0.254 386 HG22 VAL 48 HG22 VAL 48 -7.113 -3.836 -1.356 387 HG23 VAL 48 HG23 VAL 48 -6.073 -3.618 0.062 388 H HIS 49 H HIS 49 -6.901 -1.623 3.312 389 HA HIS 49 HA HIS 49 -8.700 -3.572 3.432 390 HB2 HIS 49 HB2 HIS 49 -6.921 -2.510 5.208 391 HB3 HIS 49 HB3 HIS 49 -8.417 -2.192 6.047 392 HD1 HIS 49 HD1 HIS 49 -8.541 -4.149 7.831 393 HD2 HIS 49 HD2 HIS 49 -7.395 -5.327 3.959 394 HE1 HIS 49 HE1 HIS 49 -8.340 -6.685 7.880 395 H GLU 50 H GLU 50 -9.689 -0.263 3.603 396 HA GLU 50 HA GLU 50 -12.178 -0.511 4.965 397 HB2 GLU 50 HB2 GLU 50 -11.392 1.307 2.631 398 HB3 GLU 50 HB3 GLU 50 -12.807 1.492 3.653 399 HG2 GLU 50 HG2 GLU 50 -11.210 3.070 4.409 400 HG3 GLU 50 HG3 GLU 50 -11.355 1.818 5.641 401 H GLU 51 H GLU 51 -11.118 -1.505 1.760 402 HA GLU 51 HA GLU 51 -13.843 -1.978 0.737 403 HB2 GLU 51 HB2 GLU 51 -11.073 -2.344 -0.422 404 HB3 GLU 51 HB3 GLU 51 -12.554 -2.740 -1.296 405 HG2 GLU 51 HG2 GLU 51 -13.329 -0.450 -1.188 406 HG3 GLU 51 HG3 GLU 51 -11.940 0.024 -0.217 407 H GLU 52 H GLU 52 -11.902 -3.617 2.899 408 HA GLU 52 HA GLU 52 -12.281 -6.338 1.705 409 HB2 GLU 52 HB2 GLU 52 -9.958 -5.128 3.169 410 HB3 GLU 52 HB3 GLU 52 -10.054 -6.797 2.691 411 HG2 GLU 52 HG2 GLU 52 -10.073 -4.426 0.770 412 HG3 GLU 52 HG3 GLU 52 -8.738 -5.502 1.139 413 H GLU 53 H GLU 53 -12.337 -4.393 4.691 414 HA GLU 53 HA GLU 53 -12.147 -6.383 6.579 415 HB2 GLU 53 HB2 GLU 53 -13.283 -4.841 8.106 416 HB3 GLU 53 HB3 GLU 53 -12.088 -4.020 7.101 417 HG2 GLU 53 HG2 GLU 53 -13.890 -3.148 5.638 418 HG3 GLU 53 HG3 GLU 53 -15.100 -4.001 6.597 419 H PHE 54 H PHE 54 -14.874 -5.872 4.467 420 HA PHE 54 HA PHE 54 -16.669 -7.587 6.074 421 HB2 PHE 54 HB2 PHE 54 -18.362 -6.887 4.402 422 HB3 PHE 54 HB3 PHE 54 -17.630 -5.558 5.266 423 HD1 PHE 54 HD2 PHE 54 -17.652 -7.357 1.981 424 HD2 PHE 54 HD1 PHE 54 -16.471 -3.791 4.112 425 HE1 PHE 54 HE2 PHE 54 -17.101 -6.250 -0.169 426 HE2 PHE 54 HE1 PHE 54 -15.929 -2.689 1.962 427 HZ PHE 54 HZ PHE 54 -16.238 -3.918 -0.186 428 H ALA 55 H ALA 55 -14.181 -8.251 4.035 429 HA ALA 55 HA ALA 55 -15.532 -10.645 2.865 430 HB1 ALA 55 HB1 ALA 55 -15.246 -8.898 1.141 431 HB2 ALA 55 HB2 ALA 55 -13.498 -8.843 1.479 432 HB3 ALA 55 HB3 ALA 55 -14.245 -10.322 0.819 433 H VAL 56 H VAL 56 -12.555 -9.329 4.385 434 HA VAL 56 HA VAL 56 -11.132 -11.786 3.946 435 HB VAL 56 HB VAL 56 -9.473 -10.895 5.568 436 HG11 VAL 56 HG11 VAL 56 -10.404 -8.894 3.471 437 HG12 VAL 56 HG12 VAL 56 -8.810 -8.928 4.246 438 HG13 VAL 56 HG13 VAL 56 -9.325 -10.277 3.217 439 HG21 VAL 56 HG21 VAL 56 -11.356 -8.521 5.908 440 HG22 VAL 56 HG22 VAL 56 -10.994 -9.744 7.141 441 HG23 VAL 56 HG23 VAL 56 -9.714 -8.677 6.550 442 H GLU 57 H GLU 57 -13.766 -11.382 5.763 443 HA GLU 57 HA GLU 57 -13.452 -13.373 7.785 444 HB2 GLU 57 HB2 GLU 57 -15.949 -13.662 7.290 445 HB3 GLU 57 HB3 GLU 57 -15.439 -12.042 7.779 446 HG2 GLU 57 HG2 GLU 57 -15.559 -11.199 5.537 447 HG3 GLU 57 HG3 GLU 57 -15.678 -12.790 4.834 448 H GLY 58 H GLY 58 -13.241 -13.546 4.365 449 HA2 GLY 58 HA2 GLY 58 -13.752 -16.484 4.286 450 HA3 GLY 58 HA3 GLY 58 -13.771 -15.339 2.946 451 HA PRO 59 HA PRO 59 -9.634 -17.543 3.232 452 HB2 PRO 59 HB2 PRO 59 -9.542 -18.648 0.738 453 HB3 PRO 59 HB3 PRO 59 -10.393 -19.400 2.117 454 HG2 PRO 59 HG2 PRO 59 -11.585 -17.653 -0.064 455 HG3 PRO 59 HG3 PRO 59 -12.145 -19.251 0.537 456 HD2 PRO 59 HD2 PRO 59 -13.234 -16.934 1.432 457 HD3 PRO 59 HD3 PRO 59 -12.984 -18.332 2.522 458 H LEU 60 H LEU 60 -7.709 -17.271 1.689 459 HA LEU 60 HA LEU 60 -7.788 -14.875 -0.018 460 HB2 LEU 60 HB2 LEU 60 -6.771 -14.718 2.613 461 HB3 LEU 60 HB3 LEU 60 -5.346 -15.053 1.664 462 HG LEU 60 HG LEU 60 -5.572 -12.695 1.980 463 HD11 LEU 60 HD11 LEU 60 -6.401 -13.144 -0.910 464 HD12 LEU 60 HD12 LEU 60 -5.482 -11.799 -0.233 465 HD13 LEU 60 HD13 LEU 60 -4.747 -13.406 -0.273 466 HD21 LEU 60 HD21 LEU 60 -7.481 -11.367 1.219 467 HD22 LEU 60 HD22 LEU 60 -8.336 -12.833 0.707 468 HD23 LEU 60 HD23 LEU 60 -7.978 -12.568 2.422 469 H TRP 61 H TRP 61 -6.059 -14.909 -1.554 470 HA TRP 61 HA TRP 61 -4.833 -17.560 -2.136 471 HB2 TRP 61 HB2 TRP 61 -6.835 -15.883 -3.650 472 HB3 TRP 61 HB3 TRP 61 -5.978 -17.148 -4.450 473 HD1 TRP 61 HD1 TRP 61 -8.901 -16.401 -2.198 474 HE1 TRP 61 HE1 TRP 61 -10.305 -18.527 -1.788 475 HE3 TRP 61 HE3 TRP 61 -5.749 -19.796 -4.248 476 HZ2 TRP 61 HZ2 TRP 61 -10.043 -21.394 -2.282 477 HZ3 TRP 61 HZ3 TRP 61 -6.312 -22.235 -4.282 478 HH2 TRP 61 HH2 TRP 61 -8.454 -23.028 -3.297 479 H ILE 62 H ILE 62 -3.019 -17.297 -3.590 480 HA ILE 62 HA ILE 62 -2.287 -14.512 -4.323 481 HB ILE 62 HB ILE 62 -0.241 -16.476 -3.302 482 HG12 ILE 62 HG12 ILE 62 -1.760 -16.350 -1.382 483 HG13 ILE 62 HG13 ILE 62 -0.169 -15.708 -1.089 484 HG21 ILE 62 HG21 ILE 62 1.070 -14.445 -2.786 485 HG22 ILE 62 HG22 ILE 62 0.612 -14.532 -4.492 486 HG23 ILE 62 HG23 ILE 62 -0.235 -13.423 -3.403 487 HD11 ILE 62 HD11 ILE 62 -1.866 -14.365 0.028 488 HD12 ILE 62 HD12 ILE 62 -1.011 -13.396 -1.177 489 HD13 ILE 62 HD13 ILE 62 -2.646 -13.994 -1.510 490 H GLN 63 H GLN 63 -1.335 -14.341 -6.300 491 HA GLN 63 HA GLN 63 -0.044 -16.673 -7.593 492 HB2 GLN 63 HB2 GLN 63 -2.322 -16.550 -8.503 493 HB3 GLN 63 HB3 GLN 63 -2.133 -14.844 -8.886 494 HG2 GLN 63 HG2 GLN 63 -0.508 -15.345 -10.622 495 HG3 GLN 63 HG3 GLN 63 -0.396 -17.036 -10.107 496 HE21 GLN 63 HE22 GLN 63 -2.286 -14.714 -12.014 497 HE22 GLN 63 HE21 GLN 63 -3.420 -15.883 -12.635 498 H VAL 64 H VAL 64 1.624 -15.806 -9.273 499 HA VAL 64 HA VAL 64 2.454 -13.016 -8.698 500 HB VAL 64 HB VAL 64 3.228 -14.508 -6.877 501 HG11 VAL 64 HG11 VAL 64 5.060 -15.784 -8.945 502 HG12 VAL 64 HG12 VAL 64 5.047 -16.062 -7.186 503 HG13 VAL 64 HG13 VAL 64 3.670 -16.578 -8.170 504 HG21 VAL 64 HG21 VAL 64 5.415 -13.156 -8.484 505 HG22 VAL 64 HG22 VAL 64 4.401 -12.457 -7.202 506 HG23 VAL 64 HG23 VAL 64 5.560 -13.740 -6.849 507 H GLN 65 H GLN 65 4.266 -12.304 -10.079 508 HA GLN 65 HA GLN 65 5.201 -14.108 -12.232 509 HB2 GLN 65 HB2 GLN 65 4.447 -11.144 -12.539 510 HB3 GLN 65 HB3 GLN 65 5.501 -12.002 -13.636 511 HG2 GLN 65 HG2 GLN 65 3.610 -12.204 -14.834 512 HG3 GLN 65 HG3 GLN 65 3.492 -13.652 -13.847 513 HE21 GLN 65 HE22 GLN 65 1.868 -13.776 -12.252 514 HE22 GLN 65 HE21 GLN 65 0.499 -12.659 -12.232 515 H ALA 66 H ALA 66 7.478 -13.713 -12.576 516 HA ALA 66 HA ALA 66 8.724 -11.660 -10.794 517 HB1 ALA 66 HB1 ALA 66 9.426 -13.936 -10.157 518 HB2 ALA 66 HB2 ALA 66 9.979 -14.226 -11.827 519 HB3 ALA 66 HB3 ALA 66 10.759 -12.982 -10.823 520 H LEU 67 H LEU 67 9.709 -10.072 -11.800 521 HA LEU 67 HA LEU 67 9.783 -9.968 -14.772 522 HB2 LEU 67 HB2 LEU 67 9.038 -7.827 -12.704 523 HB3 LEU 67 HB3 LEU 67 9.203 -7.559 -14.417 524 HG LEU 67 HG LEU 67 7.393 -9.601 -14.499 525 HD11 LEU 67 HD11 LEU 67 6.795 -8.135 -11.957 526 HD12 LEU 67 HD12 LEU 67 5.659 -9.200 -12.830 527 HD13 LEU 67 HD13 LEU 67 7.135 -9.875 -12.156 528 HD21 LEU 67 HD21 LEU 67 7.150 -7.357 -15.577 529 HD22 LEU 67 HD22 LEU 67 5.656 -7.847 -14.770 530 HD23 LEU 67 HD23 LEU 67 6.729 -6.662 -13.997 531 H ASP 68 H ASP 68 11.189 -7.678 -15.151 532 HA ASP 68 HA ASP 68 13.745 -8.758 -14.947 533 HB2 ASP 68 HB2 ASP 68 12.968 -7.172 -16.691 534 HB3 ASP 68 HB3 ASP 68 13.088 -5.854 -15.517 535 H LYS 69 H LYS 69 12.307 -6.285 -12.814 536 HA LYS 69 HA LYS 69 14.590 -6.617 -10.944 537 HB2 LYS 69 HB2 LYS 69 13.551 -3.961 -11.908 538 HB3 LYS 69 HB3 LYS 69 14.671 -4.142 -10.569 539 HG2 LYS 69 HG2 LYS 69 15.248 -4.939 -13.433 540 HG3 LYS 69 HG3 LYS 69 15.763 -3.459 -12.657 541 HD2 LYS 69 HD2 LYS 69 17.101 -4.721 -11.007 542 HD3 LYS 69 HD3 LYS 69 16.614 -6.243 -11.715 543 HE2 LYS 69 HE2 LYS 69 18.105 -4.067 -13.244 544 HE3 LYS 69 HE3 LYS 69 18.885 -5.429 -12.430 545 HZ1 LYS 69 HZ1 LYS 69 16.947 -5.674 -14.677 546 HZ2 LYS 69 HZ2 LYS 69 18.566 -5.916 -14.756 547 HZ3 LYS 69 HZ3 LYS 69 17.631 -6.934 -13.879 548 H GLY 70 H GLY 70 11.741 -7.563 -10.952 549 HA2 GLY 70 HA2 GLY 70 10.995 -6.962 -8.267 550 HA3 GLY 70 HA3 GLY 70 10.062 -5.958 -9.374 551 H LEU 71 H LEU 71 8.371 -7.362 -8.250 552 HA LEU 71 HA LEU 71 7.701 -9.626 -10.080 553 HB2 LEU 71 HB2 LEU 71 7.333 -9.614 -7.055 554 HB3 LEU 71 HB3 LEU 71 6.744 -10.845 -8.137 555 HG LEU 71 HG LEU 71 9.543 -10.658 -8.693 556 HD11 LEU 71 HD11 LEU 71 8.958 -10.702 -5.705 557 HD12 LEU 71 HD12 LEU 71 10.549 -10.950 -6.465 558 HD13 LEU 71 HD13 LEU 71 9.726 -9.373 -6.600 559 HD21 LEU 71 HD21 LEU 71 8.213 -12.759 -6.978 560 HD22 LEU 71 HD22 LEU 71 8.125 -12.714 -8.729 561 HD23 LEU 71 HD23 LEU 71 9.700 -12.900 -7.914 562 H GLU 72 H GLU 72 5.493 -9.742 -10.537 563 HA GLU 72 HA GLU 72 3.726 -7.663 -9.303 564 HB2 GLU 72 HB2 GLU 72 3.283 -9.426 -11.740 565 HB3 GLU 72 HB3 GLU 72 1.965 -8.678 -10.856 566 HG2 GLU 72 HG2 GLU 72 2.877 -6.431 -11.253 567 HG3 GLU 72 HG3 GLU 72 4.178 -7.129 -12.217 568 H ILE 73 H ILE 73 2.103 -8.376 -7.942 569 HA ILE 73 HA ILE 73 1.893 -11.291 -7.533 570 HB ILE 73 HB ILE 73 1.803 -9.196 -5.402 571 HG12 ILE 73 HG12 ILE 73 3.706 -10.077 -4.246 572 HG13 ILE 73 HG13 ILE 73 4.080 -11.219 -5.435 573 HG21 ILE 73 HG21 ILE 73 1.716 -12.240 -5.207 574 HG22 ILE 73 HG22 ILE 73 1.721 -11.153 -3.804 575 HG23 ILE 73 HG23 ILE 73 0.366 -11.122 -4.922 576 HD11 ILE 73 HD11 ILE 73 4.127 -8.222 -5.977 577 HD12 ILE 73 HD12 ILE 73 5.499 -9.125 -5.302 578 HD13 ILE 73 HD13 ILE 73 4.901 -9.526 -6.914 579 H ILE 74 H ILE 74 -0.229 -11.897 -7.549 580 HA ILE 74 HA ILE 74 -2.400 -9.831 -7.695 581 HB ILE 74 HB ILE 74 -2.091 -12.535 -9.069 582 HG12 ILE 74 HG12 ILE 74 -2.486 -11.402 -11.178 583 HG13 ILE 74 HG13 ILE 74 -2.627 -9.846 -10.390 584 HG21 ILE 74 HG21 ILE 74 -4.367 -12.128 -10.038 585 HG22 ILE 74 HG22 ILE 74 -4.405 -12.355 -8.303 586 HG23 ILE 74 HG23 ILE 74 -4.535 -10.710 -8.978 587 HD11 ILE 74 HD11 ILE 74 -0.257 -9.754 -9.983 588 HD12 ILE 74 HD12 ILE 74 -0.061 -11.490 -10.373 589 HD13 ILE 74 HD13 ILE 74 -0.475 -10.311 -11.637 590 H VAL 75 H VAL 75 -4.114 -10.245 -6.136 591 HA VAL 75 HA VAL 75 -4.039 -12.828 -4.788 592 HB VAL 75 HB VAL 75 -4.382 -11.827 -2.556 593 HG11 VAL 75 HG11 VAL 75 -1.711 -11.023 -3.792 594 HG12 VAL 75 HG12 VAL 75 -2.048 -11.382 -2.084 595 HG13 VAL 75 HG13 VAL 75 -2.187 -12.658 -3.302 596 HG21 VAL 75 HG21 VAL 75 -5.019 -9.554 -3.181 597 HG22 VAL 75 HG22 VAL 75 -3.608 -9.582 -2.094 598 HG23 VAL 75 HG23 VAL 75 -3.374 -9.275 -3.835 599 H THR 76 H THR 76 -6.032 -13.590 -4.063 600 HA THR 76 HA THR 76 -8.319 -12.199 -5.371 601 HB THR 76 HB THR 76 -8.750 -14.046 -6.744 602 HG1 THR 76 HG1 THR 76 -7.852 -16.025 -6.609 603 HG21 THR 76 HG21 THR 76 -6.652 -12.777 -7.500 604 HG22 THR 76 HG22 THR 76 -5.685 -14.084 -6.757 605 HG23 THR 76 HG23 THR 76 -6.774 -14.436 -8.106 606 H LYS 77 H LYS 77 -10.425 -13.527 -5.001 607 HA LYS 77 HA LYS 77 -10.445 -15.118 -2.523 608 HB2 LYS 77 HB2 LYS 77 -12.204 -12.671 -2.946 609 HB3 LYS 77 HB3 LYS 77 -12.601 -13.970 -1.835 610 HG2 LYS 77 HG2 LYS 77 -11.470 -12.898 -0.252 611 HG3 LYS 77 HG3 LYS 77 -10.025 -13.454 -1.036 612 HD2 LYS 77 HD2 LYS 77 -9.817 -11.091 -0.583 613 HD3 LYS 77 HD3 LYS 77 -9.849 -11.366 -2.323 614 HE2 LYS 77 HE2 LYS 77 -12.350 -10.791 -2.256 615 HE3 LYS 77 HE3 LYS 77 -12.155 -10.373 -0.555 616 HZ1 LYS 77 HZ1 LYS 77 -10.811 -8.557 -1.110 617 HZ2 LYS 77 HZ2 LYS 77 -10.531 -9.057 -2.657 618 HZ3 LYS 77 HZ3 LYS 77 -12.007 -8.469 -2.202 619 H ALA 78 H ALA 78 -12.305 -16.505 -2.416 620 HA ALA 78 HA ALA 78 -12.593 -17.818 -4.895 621 HB1 ALA 78 HB1 ALA 78 -14.022 -19.394 -3.611 622 HB2 ALA 78 HB2 ALA 78 -12.550 -18.967 -2.719 623 HB3 ALA 78 HB3 ALA 78 -14.112 -18.231 -2.269 624 H GLN 79 H GLN 79 -14.766 -15.471 -3.351 625 HA GLN 79 HA GLN 79 -17.138 -16.213 -4.709 626 HB2 GLN 79 HB2 GLN 79 -17.036 -14.785 -2.715 627 HB3 GLN 79 HB3 GLN 79 -16.322 -13.470 -3.654 628 HG2 GLN 79 HG2 GLN 79 -18.362 -13.219 -4.964 629 HG3 GLN 79 HG3 GLN 79 -19.042 -14.702 -4.285 630 HE21 GLN 79 HE22 GLN 79 -18.027 -11.344 -3.437 631 HE22 GLN 79 HE21 GLN 79 -19.061 -11.218 -2.030 632 H LEU 80 H LEU 80 -14.425 -14.228 -5.761 633 HA LEU 80 HA LEU 80 -14.025 -13.075 -7.705 634 HB2 LEU 80 HB2 LEU 80 -13.488 -15.703 -7.574 635 HB3 LEU 80 HB3 LEU 80 -14.427 -15.725 -9.050 636 HG LEU 80 HG LEU 80 -11.949 -14.034 -8.450 637 HD11 LEU 80 HD11 LEU 80 -12.313 -16.436 -10.289 638 HD12 LEU 80 HD12 LEU 80 -10.810 -15.517 -10.061 639 HD13 LEU 80 HD13 LEU 80 -11.486 -16.435 -8.715 640 HD21 LEU 80 HD21 LEU 80 -11.882 -13.468 -10.859 641 HD22 LEU 80 HD22 LEU 80 -13.461 -14.251 -11.084 642 HD23 LEU 80 HD23 LEU 80 -13.312 -12.797 -10.074 643 H SER 81 H SER 81 -16.483 -12.212 -7.328 644 HA SER 81 HA SER 81 -18.339 -11.347 -8.229 645 HB2 SER 81 HB2 SER 81 -16.839 -11.435 -10.853 646 HB3 SER 81 HB3 SER 81 -18.104 -10.307 -10.375 647 HG SER 81 HG SER 81 -16.003 -9.409 -10.116 648 H LYS 82 H LYS 82 -18.141 -14.421 -8.364 649 HA LYS 82 HA LYS 82 -19.983 -15.284 -10.407 650 HB2 LYS 82 HB2 LYS 82 -19.526 -16.269 -7.549 651 HB3 LYS 82 HB3 LYS 82 -20.466 -17.131 -8.773 652 HG2 LYS 82 HG2 LYS 82 -18.550 -17.610 -10.103 653 HG3 LYS 82 HG3 LYS 82 -17.551 -16.403 -9.278 654 HD2 LYS 82 HD2 LYS 82 -17.674 -17.708 -7.178 655 HD3 LYS 82 HD3 LYS 82 -18.593 -18.974 -8.022 656 HE2 LYS 82 HE2 LYS 82 -16.740 -19.432 -9.511 657 HE3 LYS 82 HE3 LYS 82 -15.850 -18.007 -8.956 658 HZ1 LYS 82 HZ1 LYS 82 -15.017 -20.060 -7.950 659 HZ2 LYS 82 HZ2 LYS 82 -15.576 -19.031 -6.798 660 HZ3 LYS 82 HZ3 LYS 82 -16.462 -20.352 -7.239 661 H ASP 83 H ASP 83 -20.370 -13.977 -7.103 662 HA ASP 83 HA ASP 83 -23.259 -13.747 -7.242 663 HB2 ASP 83 HB2 ASP 83 -21.909 -14.169 -5.164 664 HB3 ASP 83 HB3 ASP 83 -21.268 -12.529 -5.282 665 H LEU 84 H LEU 84 -22.019 -12.502 -9.456 666 HA LEU 84 HA LEU 84 -23.055 -9.778 -9.288 667 HB2 LEU 84 HB2 LEU 84 -20.344 -9.962 -8.948 668 HB3 LEU 84 HB3 LEU 84 -20.404 -10.061 -10.693 669 HG LEU 84 HG LEU 84 -21.478 -7.804 -8.952 670 HD11 LEU 84 HD11 LEU 84 -19.143 -7.940 -10.918 671 HD12 LEU 84 HD12 LEU 84 -19.643 -6.515 -9.975 672 HD13 LEU 84 HD13 LEU 84 -19.006 -7.938 -9.145 673 HD21 LEU 84 HD21 LEU 84 -22.907 -7.922 -10.904 674 HD22 LEU 84 HD22 LEU 84 -21.785 -6.582 -11.125 675 HD23 LEU 84 HD23 LEU 84 -21.509 -8.117 -11.981 676 H ASP 85 H ASP 85 -21.307 -12.266 -11.235 677 HA ASP 85 HA ASP 85 -22.615 -11.812 -13.716 678 HB2 ASP 85 HB2 ASP 85 -20.638 -13.221 -13.534 679 HB3 ASP 85 HB3 ASP 85 -21.486 -14.359 -12.479 680 H LYS 86 H LYS 86 -23.454 -13.957 -10.937 681 HA LYS 86 HA LYS 86 -26.148 -14.515 -11.987 682 HB2 LYS 86 HB2 LYS 86 -24.958 -14.941 -9.223 683 HB3 LYS 86 HB3 LYS 86 -26.558 -15.451 -9.760 684 HG2 LYS 86 HG2 LYS 86 -23.857 -16.483 -10.692 685 HG3 LYS 86 HG3 LYS 86 -25.146 -17.316 -9.826 686 HD2 LYS 86 HD2 LYS 86 -26.603 -17.193 -11.863 687 HD3 LYS 86 HD3 LYS 86 -25.263 -16.409 -12.721 688 HE2 LYS 86 HE2 LYS 86 -25.116 -18.658 -13.361 689 HE3 LYS 86 HE3 LYS 86 -23.816 -18.391 -12.193 690 HZ1 LYS 86 HZ1 LYS 86 -25.002 -20.473 -11.816 691 HZ2 LYS 86 HZ2 LYS 86 -25.197 -19.508 -10.520 692 HZ3 LYS 86 HZ3 LYS 86 -26.422 -19.701 -11.600 693 H LEU 87 H LEU 87 -27.939 -13.342 -11.526 694 HA LEU 87 HA LEU 87 -27.659 -10.583 -10.783 695 HB2 LEU 87 HB2 LEU 87 -29.871 -12.409 -11.620 696 HB3 LEU 87 HB3 LEU 87 -30.275 -10.902 -10.802 697 HG LEU 87 HG LEU 87 -29.001 -9.575 -12.415 698 HD11 LEU 87 HD11 LEU 87 -28.169 -10.573 -14.541 699 HD12 LEU 87 HD12 LEU 87 -27.217 -11.096 -13.154 700 HD13 LEU 87 HD13 LEU 87 -28.414 -12.201 -13.870 701 HD21 LEU 87 HD21 LEU 87 -30.880 -11.574 -13.697 702 HD22 LEU 87 HD22 LEU 87 -31.352 -10.122 -12.774 703 HD23 LEU 87 HD23 LEU 87 -30.490 -9.940 -14.318 704 H VAL 88 H VAL 88 -28.881 -9.539 -9.029 705 HA VAL 88 HA VAL 88 -29.393 -11.168 -6.620 706 HB VAL 88 HB VAL 88 -28.062 -9.712 -5.224 707 HG11 VAL 88 HG11 VAL 88 -26.275 -10.556 -7.524 708 HG12 VAL 88 HG12 VAL 88 -25.829 -10.312 -5.827 709 HG13 VAL 88 HG13 VAL 88 -26.904 -11.646 -6.273 710 HG21 VAL 88 HG21 VAL 88 -27.276 -8.180 -7.719 711 HG22 VAL 88 HG22 VAL 88 -28.293 -7.601 -6.373 712 HG23 VAL 88 HG23 VAL 88 -26.588 -7.965 -6.092 713 HA PRO 89 HA PRO 89 -32.877 -8.506 -6.489 714 HB2 PRO 89 HB2 PRO 89 -33.584 -8.388 -3.856 715 HB3 PRO 89 HB3 PRO 89 -33.633 -9.907 -4.797 716 HG2 PRO 89 HG2 PRO 89 -31.485 -8.937 -2.903 717 HG3 PRO 89 HG3 PRO 89 -32.226 -10.567 -3.002 718 HD2 PRO 89 HD2 PRO 89 -29.836 -9.891 -4.172 719 HD3 PRO 89 HD3 PRO 89 -30.903 -11.136 -4.862 720 H ARG 90 H ARG 90 -33.795 -6.434 -5.687 721 HA ARG 90 HA ARG 90 -31.898 -4.249 -5.569 722 HB2 ARG 90 HB2 ARG 90 -34.894 -4.375 -5.145 723 HB3 ARG 90 HB3 ARG 90 -33.909 -2.913 -4.947 724 HG2 ARG 90 HG2 ARG 90 -32.925 -3.392 -7.277 725 HG3 ARG 90 HG3 ARG 90 -34.230 -4.565 -7.492 726 HD2 ARG 90 HD2 ARG 90 -34.644 -1.632 -6.751 727 HD3 ARG 90 HD3 ARG 90 -34.535 -2.255 -8.402 728 HE ARG 90 HE ARG 90 -36.473 -3.803 -7.064 729 HH11 ARG 90 HH21 ARG 90 -36.124 -0.421 -8.110 730 HH12 ARG 90 HH22 ARG 90 -37.825 -0.142 -8.268 731 HH21 ARG 90 HH11 ARG 90 -38.739 -3.434 -7.264 732 HH22 ARG 90 HH12 ARG 90 -39.339 -1.902 -7.784 Start of MODEL 14 1 H1 MET 1 H1 MET 1 5.341 1.039 -2.383 2 H2 MET 1 H2 MET 1 6.815 0.326 -2.547 3 H3 MET 1 H3 MET 1 6.341 1.512 -3.582 4 HA MET 1 HA MET 1 6.209 -0.565 -4.701 5 HB2 MET 1 HB2 MET 1 4.891 -2.407 -3.974 6 HB3 MET 1 HB3 MET 1 5.943 -1.963 -2.660 7 HG2 MET 1 HG2 MET 1 3.941 -0.682 -1.667 8 HG3 MET 1 HG3 MET 1 2.954 -1.488 -2.882 9 HE1 MET 1 HE1 MET 1 2.676 -4.086 -2.985 10 HE2 MET 1 HE2 MET 1 4.432 -4.391 -2.939 11 HE3 MET 1 HE3 MET 1 3.355 -5.242 -1.812 12 H GLU 2 H GLU 2 3.824 -1.537 -5.673 13 HA GLU 2 HA GLU 2 2.314 0.921 -6.447 14 HB2 GLU 2 HB2 GLU 2 4.025 -1.043 -7.910 15 HB3 GLU 2 HB3 GLU 2 2.497 -0.778 -8.673 16 HG2 GLU 2 HG2 GLU 2 4.404 1.461 -7.860 17 HG3 GLU 2 HG3 GLU 2 4.345 0.717 -9.453 18 H ILE 3 H ILE 3 0.079 0.571 -6.287 19 HA ILE 3 HA ILE 3 -0.864 -2.204 -5.680 20 HB ILE 3 HB ILE 3 -1.856 0.426 -4.564 21 HG12 ILE 3 HG12 ILE 3 0.316 0.018 -3.581 22 HG13 ILE 3 HG13 ILE 3 -0.976 -0.258 -2.438 23 HG21 ILE 3 HG21 ILE 3 -2.668 -2.449 -3.935 24 HG22 ILE 3 HG22 ILE 3 -3.081 -1.049 -2.921 25 HG23 ILE 3 HG23 ILE 3 -3.687 -1.137 -4.566 26 HD11 ILE 3 HD11 ILE 3 -0.721 -2.725 -2.714 27 HD12 ILE 3 HD12 ILE 3 0.665 -2.403 -3.789 28 HD13 ILE 3 HD13 ILE 3 0.716 -1.907 -2.086 29 H GLU 4 H GLU 4 -2.944 -2.803 -6.616 30 HA GLU 4 HA GLU 4 -4.507 -0.750 -8.036 31 HB2 GLU 4 HB2 GLU 4 -2.908 -1.930 -9.629 32 HB3 GLU 4 HB3 GLU 4 -3.684 -3.438 -9.170 33 HG2 GLU 4 HG2 GLU 4 -4.643 -2.765 -11.158 34 HG3 GLU 4 HG3 GLU 4 -5.883 -2.471 -9.984 35 H ARG 5 H ARG 5 -6.741 -1.335 -8.146 36 HA ARG 5 HA ARG 5 -7.580 -3.706 -6.548 37 HB2 ARG 5 HB2 ARG 5 -7.701 -1.184 -5.626 38 HB3 ARG 5 HB3 ARG 5 -9.215 -1.177 -6.517 39 HG2 ARG 5 HG2 ARG 5 -8.372 -3.243 -4.428 40 HG3 ARG 5 HG3 ARG 5 -9.343 -1.820 -4.143 41 HD2 ARG 5 HD2 ARG 5 -11.122 -2.630 -5.614 42 HD3 ARG 5 HD3 ARG 5 -10.167 -4.053 -6.024 43 HE ARG 5 HE ARG 5 -10.296 -4.741 -3.634 44 HH11 ARG 5 HH11 ARG 5 -12.793 -2.314 -4.483 45 HH12 ARG 5 HH12 ARG 5 -14.066 -3.329 -3.818 46 HH21 ARG 5 HH21 ARG 5 -11.956 -5.624 -2.371 47 HH22 ARG 5 HH22 ARG 5 -13.590 -4.949 -2.498 48 H ILE 6 H ILE 6 -8.236 -5.075 -8.203 49 HA ILE 6 HA ILE 6 -8.907 -4.053 -10.804 50 HB ILE 6 HB ILE 6 -9.178 -6.856 -9.660 51 HG12 ILE 6 HG12 ILE 6 -6.901 -6.147 -9.305 52 HG13 ILE 6 HG13 ILE 6 -6.975 -7.277 -10.621 53 HG21 ILE 6 HG21 ILE 6 -9.024 -5.948 -12.551 54 HG22 ILE 6 HG22 ILE 6 -8.895 -7.629 -11.983 55 HG23 ILE 6 HG23 ILE 6 -10.394 -6.726 -11.733 56 HD11 ILE 6 HD11 ILE 6 -6.806 -5.422 -12.266 57 HD12 ILE 6 HD12 ILE 6 -6.724 -4.277 -10.904 58 HD13 ILE 6 HD13 ILE 6 -5.428 -5.450 -11.157 59 H ASN 7 H ASN 7 -10.710 -5.896 -8.350 60 HA ASN 7 HA ASN 7 -13.195 -4.462 -8.796 61 HB2 ASN 7 HB2 ASN 7 -14.565 -6.238 -9.588 62 HB3 ASN 7 HB3 ASN 7 -13.221 -6.110 -10.689 63 HD21 ASN 7 HD22 ASN 7 -14.376 -8.366 -11.126 64 HD22 ASN 7 HD21 ASN 7 -13.621 -9.715 -10.318 65 H GLU 8 H GLU 8 -14.931 -6.211 -7.424 66 HA GLU 8 HA GLU 8 -14.122 -5.695 -4.797 67 HB2 GLU 8 HB2 GLU 8 -16.483 -6.169 -5.958 68 HB3 GLU 8 HB3 GLU 8 -16.198 -7.804 -5.369 69 HG2 GLU 8 HG2 GLU 8 -17.510 -6.579 -3.744 70 HG3 GLU 8 HG3 GLU 8 -15.913 -6.860 -3.054 71 H HIS 9 H HIS 9 -13.097 -8.310 -6.747 72 HA HIS 9 HA HIS 9 -12.685 -10.111 -4.391 73 HB2 HIS 9 HB2 HIS 9 -13.180 -10.883 -7.273 74 HB3 HIS 9 HB3 HIS 9 -13.008 -11.968 -5.894 75 HD1 HIS 9 HD1 HIS 9 -15.684 -10.579 -7.892 76 HD2 HIS 9 HD2 HIS 9 -14.995 -11.076 -3.766 77 HE1 HIS 9 HE1 HIS 9 -17.955 -10.437 -6.759 78 H THR 10 H THR 10 -11.311 -9.301 -7.653 79 HA THR 10 HA THR 10 -8.692 -10.305 -6.800 80 HB THR 10 HB THR 10 -9.614 -8.991 -9.377 81 HG1 THR 10 HG1 THR 10 -9.891 -11.101 -10.100 82 HG21 THR 10 HG21 THR 10 -7.139 -10.712 -8.864 83 HG22 THR 10 HG22 THR 10 -7.629 -9.976 -10.413 84 HG23 THR 10 HG23 THR 10 -7.110 -8.957 -9.073 85 H VAL 11 H VAL 11 -6.980 -9.074 -6.259 86 HA VAL 11 HA VAL 11 -6.936 -6.195 -6.892 87 HB VAL 11 HB VAL 11 -5.951 -5.622 -4.737 88 HG11 VAL 11 HG11 VAL 11 -8.585 -7.058 -4.201 89 HG12 VAL 11 HG12 VAL 11 -7.931 -5.631 -3.373 90 HG13 VAL 11 HG13 VAL 11 -8.462 -5.527 -5.073 91 HG21 VAL 11 HG21 VAL 11 -6.576 -8.469 -3.823 92 HG22 VAL 11 HG22 VAL 11 -4.957 -7.770 -4.047 93 HG23 VAL 11 HG23 VAL 11 -6.019 -7.134 -2.792 94 H LYS 12 H LYS 12 -4.564 -5.504 -7.122 95 HA LYS 12 HA LYS 12 -2.691 -7.732 -6.916 96 HB2 LYS 12 HB2 LYS 12 -1.906 -7.811 -9.080 97 HB3 LYS 12 HB3 LYS 12 -3.649 -7.866 -9.294 98 HG2 LYS 12 HG2 LYS 12 -3.646 -5.501 -9.917 99 HG3 LYS 12 HG3 LYS 12 -1.878 -5.448 -9.736 100 HD2 LYS 12 HD2 LYS 12 -1.706 -7.334 -11.403 101 HD3 LYS 12 HD3 LYS 12 -3.457 -7.165 -11.716 102 HE2 LYS 12 HE2 LYS 12 -3.163 -4.890 -12.502 103 HE3 LYS 12 HE3 LYS 12 -1.513 -4.859 -11.842 104 HZ1 LYS 12 HZ1 LYS 12 -0.785 -6.379 -13.506 105 HZ2 LYS 12 HZ2 LYS 12 -2.309 -6.590 -14.117 106 HZ3 LYS 12 HZ3 LYS 12 -1.545 -5.151 -14.271 107 H PHE 13 H PHE 13 -0.427 -6.941 -7.395 108 HA PHE 13 HA PHE 13 -0.044 -4.058 -7.159 109 HB2 PHE 13 HB2 PHE 13 1.268 -4.235 -5.091 110 HB3 PHE 13 HB3 PHE 13 -0.407 -4.657 -4.822 111 HD1 PHE 13 HD2 PHE 13 -1.026 -7.048 -4.383 112 HD2 PHE 13 HD1 PHE 13 3.061 -5.766 -4.838 113 HE1 PHE 13 HE2 PHE 13 -0.248 -9.046 -3.109 114 HE2 PHE 13 HE1 PHE 13 3.827 -7.705 -3.501 115 HZ PHE 13 HZ PHE 13 2.140 -9.319 -2.579 116 H TYR 14 H TYR 14 2.358 -3.614 -7.196 117 HA TYR 14 HA TYR 14 3.946 -5.778 -8.434 118 HB2 TYR 14 HB2 TYR 14 3.281 -4.473 -10.313 119 HB3 TYR 14 HB3 TYR 14 3.503 -2.965 -9.460 120 HD1 TYR 14 HD1 TYR 14 5.296 -5.905 -10.865 121 HD2 TYR 14 HD2 TYR 14 5.637 -1.950 -9.225 122 HE1 TYR 14 HE1 TYR 14 7.686 -5.930 -11.446 123 HE2 TYR 14 HE2 TYR 14 8.096 -1.951 -9.752 124 HH TYR 14 HH TYR 14 9.852 -3.110 -10.745 125 H MET 15 H MET 15 6.009 -5.817 -7.711 126 HA MET 15 HA MET 15 6.736 -3.926 -5.525 127 HB2 MET 15 HB2 MET 15 5.461 -6.017 -4.765 128 HB3 MET 15 HB3 MET 15 6.844 -6.950 -5.346 129 HG2 MET 15 HG2 MET 15 8.292 -5.857 -3.805 130 HG3 MET 15 HG3 MET 15 7.038 -4.714 -3.366 131 HE1 MET 15 HE1 MET 15 5.950 -4.952 -1.035 132 HE2 MET 15 HE2 MET 15 6.657 -6.215 -0.011 133 HE3 MET 15 HE3 MET 15 7.715 -5.139 -0.989 134 H SER 16 H SER 16 8.546 -3.074 -6.352 135 HA SER 16 HA SER 16 10.442 -4.460 -7.989 136 HB2 SER 16 HB2 SER 16 11.041 -2.062 -6.269 137 HB3 SER 16 HB3 SER 16 11.743 -2.489 -7.839 138 HG SER 16 HG SER 16 10.191 -0.788 -8.004 139 H TYR 17 H TYR 17 12.491 -5.324 -7.368 140 HA TYR 17 HA TYR 17 12.541 -6.864 -5.041 141 HB2 TYR 17 HB2 TYR 17 14.913 -5.819 -6.622 142 HB3 TYR 17 HB3 TYR 17 14.966 -7.159 -5.483 143 HD1 TYR 17 HD2 TYR 17 12.322 -8.551 -6.278 144 HD2 TYR 17 HD1 TYR 17 15.565 -6.894 -8.611 145 HE1 TYR 17 HE2 TYR 17 11.884 -10.185 -8.044 146 HE2 TYR 17 HE1 TYR 17 15.109 -8.510 -10.408 147 HH TYR 17 HH TYR 17 13.762 -10.354 -11.103 148 H GLY 18 H GLY 18 13.767 -3.516 -5.397 149 HA2 GLY 18 HA2 GLY 18 15.020 -3.726 -2.801 150 HA3 GLY 18 HA3 GLY 18 14.978 -2.311 -3.782 151 H ASP 19 H ASP 19 11.713 -3.187 -3.652 152 HA ASP 19 HA ASP 19 11.086 -1.539 -1.306 153 HB2 ASP 19 HB2 ASP 19 9.498 -2.080 -3.338 154 HB3 ASP 19 HB3 ASP 19 9.229 -3.611 -2.555 155 H ILE 20 H ILE 20 11.136 -4.964 -2.198 156 HA ILE 20 HA ILE 20 10.533 -6.140 0.297 157 HB ILE 20 HB ILE 20 12.029 -7.039 -2.204 158 HG12 ILE 20 HG12 ILE 20 9.379 -8.094 -1.237 159 HG13 ILE 20 HG13 ILE 20 9.466 -6.509 -1.992 160 HG21 ILE 20 HG21 ILE 20 11.252 -8.827 0.104 161 HG22 ILE 20 HG22 ILE 20 11.917 -9.329 -1.451 162 HG23 ILE 20 HG23 ILE 20 12.921 -8.355 -0.352 163 HD11 ILE 20 HD11 ILE 20 8.893 -8.199 -3.643 164 HD12 ILE 20 HD12 ILE 20 10.417 -7.409 -4.029 165 HD13 ILE 20 HD13 ILE 20 10.423 -9.056 -3.330 166 H GLU 21 H GLU 21 13.714 -5.241 -1.181 167 HA GLU 21 HA GLU 21 15.214 -6.232 0.999 168 HB2 GLU 21 HB2 GLU 21 16.962 -5.743 -0.242 169 HB3 GLU 21 HB3 GLU 21 15.822 -5.523 -1.538 170 HG2 GLU 21 HG2 GLU 21 15.857 -3.084 -0.960 171 HG3 GLU 21 HG3 GLU 21 17.008 -3.437 0.287 172 H ASP 22 H ASP 22 13.796 -3.053 0.406 173 HA ASP 22 HA ASP 22 15.150 -1.651 2.498 174 HB2 ASP 22 HB2 ASP 22 13.876 -0.554 0.672 175 HB3 ASP 22 HB3 ASP 22 12.376 -1.131 1.368 176 H ARG 23 H ARG 23 12.116 -3.397 2.311 177 HA ARG 23 HA ARG 23 11.269 -3.082 5.076 178 HB2 ARG 23 HB2 ARG 23 10.677 -5.180 3.000 179 HB3 ARG 23 HB3 ARG 23 9.906 -5.070 4.610 180 HG2 ARG 23 HG2 ARG 23 8.870 -2.951 3.995 181 HG3 ARG 23 HG3 ARG 23 9.622 -3.033 2.397 182 HD2 ARG 23 HD2 ARG 23 7.527 -4.033 1.981 183 HD3 ARG 23 HD3 ARG 23 8.557 -5.407 2.189 184 HE ARG 23 HE ARG 23 7.340 -6.017 4.045 185 HH11 ARG 23 HH11 ARG 23 6.631 -2.553 3.425 186 HH12 ARG 23 HH12 ARG 23 5.358 -2.525 4.631 187 HH21 ARG 23 HH21 ARG 23 5.601 -5.819 5.652 188 HH22 ARG 23 HH22 ARG 23 4.812 -4.264 5.801 189 H GLY 24 H GLY 24 13.886 -4.834 3.656 190 HA2 GLY 24 HA2 GLY 24 15.522 -5.985 4.793 191 HA3 GLY 24 HA3 GLY 24 14.482 -6.036 6.224 192 H PHE 25 H PHE 25 12.797 -7.077 3.468 193 HA PHE 25 HA PHE 25 13.137 -9.964 4.127 194 HB2 PHE 25 HB2 PHE 25 11.270 -8.520 2.218 195 HB3 PHE 25 HB3 PHE 25 11.320 -10.270 2.472 196 HD1 PHE 25 HD2 PHE 25 10.345 -7.024 3.886 197 HD2 PHE 25 HD1 PHE 25 10.291 -11.282 4.502 198 HE1 PHE 25 HE2 PHE 25 9.002 -6.707 5.948 199 HE2 PHE 25 HE1 PHE 25 8.958 -10.967 6.537 200 HZ PHE 25 HZ PHE 25 8.318 -8.679 7.291 201 H ASP 26 H ASP 26 13.138 -11.159 1.640 202 HA ASP 26 HA ASP 26 15.097 -9.759 -0.077 203 HB2 ASP 26 HB2 ASP 26 16.163 -11.579 1.614 204 HB3 ASP 26 HB3 ASP 26 15.509 -12.684 0.417 205 H ARG 27 H ARG 27 14.871 -10.483 -2.297 206 HA ARG 27 HA ARG 27 12.177 -11.094 -2.924 207 HB2 ARG 27 HB2 ARG 27 12.892 -11.109 -5.256 208 HB3 ARG 27 HB3 ARG 27 13.772 -9.833 -4.402 209 HG2 ARG 27 HG2 ARG 27 15.747 -11.410 -4.207 210 HG3 ARG 27 HG3 ARG 27 14.852 -12.580 -5.195 211 HD2 ARG 27 HD2 ARG 27 14.792 -10.986 -7.062 212 HD3 ARG 27 HD3 ARG 27 15.639 -9.775 -6.063 213 HE ARG 27 HE ARG 27 17.111 -12.227 -6.117 214 HH11 ARG 27 HH21 ARG 27 16.383 -9.474 -8.242 215 HH12 ARG 27 HH22 ARG 27 17.871 -9.580 -9.121 216 HH21 ARG 27 HH11 ARG 27 19.066 -12.392 -7.300 217 HH22 ARG 27 HH12 ARG 27 19.419 -11.286 -8.576 218 H GLU 28 H GLU 28 14.903 -13.304 -2.484 219 HA GLU 28 HA GLU 28 13.285 -15.608 -3.400 220 HB2 GLU 28 HB2 GLU 28 15.984 -15.421 -2.034 221 HB3 GLU 28 HB3 GLU 28 15.212 -16.917 -2.524 222 HG2 GLU 28 HG2 GLU 28 15.135 -16.038 -4.892 223 HG3 GLU 28 HG3 GLU 28 16.083 -14.653 -4.358 224 H GLU 29 H GLU 29 14.523 -14.223 -0.304 225 HA GLU 29 HA GLU 29 13.666 -16.267 1.369 226 HB2 GLU 29 HB2 GLU 29 13.960 -13.277 1.849 227 HB3 GLU 29 HB3 GLU 29 13.667 -14.351 3.164 228 HG2 GLU 29 HG2 GLU 29 16.035 -14.857 1.348 229 HG3 GLU 29 HG3 GLU 29 16.050 -13.651 2.617 230 H ILE 30 H ILE 30 11.841 -13.517 0.251 231 HA ILE 30 HA ILE 30 9.435 -13.690 1.669 232 HB ILE 30 HB ILE 30 9.980 -13.197 -1.257 233 HG12 ILE 30 HG12 ILE 30 10.693 -11.590 0.688 234 HG13 ILE 30 HG13 ILE 30 10.020 -10.998 -0.805 235 HG21 ILE 30 HG21 ILE 30 7.262 -12.956 0.105 236 HG22 ILE 30 HG22 ILE 30 7.705 -12.203 -1.467 237 HG23 ILE 30 HG23 ILE 30 7.695 -13.954 -1.291 238 HD11 ILE 30 HD11 ILE 30 7.848 -10.563 0.319 239 HD12 ILE 30 HD12 ILE 30 8.448 -11.338 1.807 240 HD13 ILE 30 HD13 ILE 30 9.149 -9.814 1.228 241 H TRP 31 H TRP 31 10.375 -15.696 -1.188 242 HA TRP 31 HA TRP 31 7.914 -17.209 -1.073 243 HB2 TRP 31 HB2 TRP 31 10.424 -17.703 -2.683 244 HB3 TRP 31 HB3 TRP 31 8.848 -18.397 -2.996 245 HD1 TRP 31 HD1 TRP 31 10.949 -15.845 -4.277 246 HE1 TRP 31 HE1 TRP 31 9.733 -13.876 -5.369 247 HE3 TRP 31 HE3 TRP 31 6.181 -16.868 -2.691 248 HZ2 TRP 31 HZ2 TRP 31 7.055 -12.721 -5.299 249 HZ3 TRP 31 HZ3 TRP 31 4.312 -15.354 -3.295 250 HH2 TRP 31 HH2 TRP 31 4.734 -13.272 -4.574 251 H TYR 32 H TYR 32 10.849 -17.550 0.658 252 HA TYR 32 HA TYR 32 10.502 -20.504 0.889 253 HB2 TYR 32 HB2 TYR 32 13.042 -18.850 0.945 254 HB3 TYR 32 HB3 TYR 32 12.954 -20.600 1.087 255 HD1 TYR 32 HD2 TYR 32 11.285 -21.668 -0.895 256 HD2 TYR 32 HD1 TYR 32 13.876 -18.239 -1.167 257 HE1 TYR 32 HE2 TYR 32 11.311 -21.896 -3.340 258 HE2 TYR 32 HE1 TYR 32 13.819 -18.374 -3.629 259 HH TYR 32 HH TYR 32 12.041 -20.981 -5.382 260 H ASN 33 H ASN 33 9.827 -17.880 2.699 261 HA ASN 33 HA ASN 33 10.196 -19.359 5.260 262 HB2 ASN 33 HB2 ASN 33 10.605 -16.406 4.630 263 HB3 ASN 33 HB3 ASN 33 10.490 -17.063 6.247 264 HD21 ASN 33 HD22 ASN 33 12.405 -16.716 3.403 265 HD22 ASN 33 HD21 ASN 33 13.945 -17.251 4.051 266 H ARG 34 H ARG 34 7.998 -20.096 4.966 267 HA ARG 34 HA ARG 34 6.011 -18.808 3.621 268 HB2 ARG 34 HB2 ARG 34 4.483 -20.339 4.465 269 HB3 ARG 34 HB3 ARG 34 6.061 -21.121 4.337 270 HG2 ARG 34 HG2 ARG 34 6.365 -20.910 6.806 271 HG3 ARG 34 HG3 ARG 34 4.728 -20.203 6.910 272 HD2 ARG 34 HD2 ARG 34 3.809 -22.188 5.782 273 HD3 ARG 34 HD3 ARG 34 5.427 -22.927 5.761 274 HE ARG 34 HE ARG 34 4.852 -22.199 8.432 275 HH11 ARG 34 HH21 ARG 34 3.678 -24.551 6.035 276 HH12 ARG 34 HH22 ARG 34 3.161 -25.707 7.209 277 HH21 ARG 34 HH11 ARG 34 4.160 -23.737 10.003 278 HH22 ARG 34 HH12 ARG 34 3.439 -25.227 9.514 279 H GLU 35 H GLU 35 6.734 -18.322 7.031 280 HA GLU 35 HA GLU 35 4.332 -16.714 7.466 281 HB2 GLU 35 HB2 GLU 35 5.171 -16.349 9.700 282 HB3 GLU 35 HB3 GLU 35 5.187 -18.059 9.314 283 HG2 GLU 35 HG2 GLU 35 7.683 -16.304 9.207 284 HG3 GLU 35 HG3 GLU 35 7.143 -17.136 10.652 285 H ARG 36 H ARG 36 7.666 -16.082 6.496 286 HA ARG 36 HA ARG 36 7.423 -13.189 6.985 287 HB2 ARG 36 HB2 ARG 36 9.579 -14.850 5.674 288 HB3 ARG 36 HB3 ARG 36 9.625 -13.135 5.902 289 HG2 ARG 36 HG2 ARG 36 9.836 -15.310 7.984 290 HG3 ARG 36 HG3 ARG 36 10.901 -13.940 7.680 291 HD2 ARG 36 HD2 ARG 36 9.181 -12.383 8.591 292 HD3 ARG 36 HD3 ARG 36 8.135 -13.773 8.945 293 HE ARG 36 HE ARG 36 10.737 -14.078 10.133 294 HH11 ARG 36 HH11 ARG 36 7.577 -12.412 10.591 295 HH12 ARG 36 HH12 ARG 36 7.770 -12.307 12.305 296 HH21 ARG 36 HH21 ARG 36 10.938 -13.909 12.411 297 HH22 ARG 36 HH22 ARG 36 9.704 -13.155 13.356 298 H SER 37 H SER 37 6.670 -15.516 4.451 299 HA SER 37 HA SER 37 6.541 -13.544 2.356 300 HB2 SER 37 HB2 SER 37 4.396 -15.564 2.264 301 HB3 SER 37 HB3 SER 37 5.593 -15.132 1.065 302 HG SER 37 HG SER 37 7.065 -16.431 2.031 303 H GLU 38 H GLU 38 4.199 -14.744 4.831 304 HA GLU 38 HA GLU 38 1.931 -13.532 3.992 305 HB2 GLU 38 HB2 GLU 38 2.513 -15.204 5.940 306 HB3 GLU 38 HB3 GLU 38 2.541 -13.739 6.935 307 HG2 GLU 38 HG2 GLU 38 0.268 -13.193 6.051 308 HG3 GLU 38 HG3 GLU 38 0.251 -14.716 5.169 309 H GLU 39 H GLU 39 4.538 -11.951 5.817 310 HA GLU 39 HA GLU 39 3.177 -9.679 6.765 311 HB2 GLU 39 HB2 GLU 39 6.025 -9.510 5.791 312 HB3 GLU 39 HB3 GLU 39 5.353 -8.890 7.278 313 HG2 GLU 39 HG2 GLU 39 6.014 -11.789 6.739 314 HG3 GLU 39 HG3 GLU 39 7.032 -10.647 7.498 315 H LEU 40 H LEU 40 4.508 -10.461 3.630 316 HA LEU 40 HA LEU 40 4.492 -7.882 2.376 317 HB2 LEU 40 HB2 LEU 40 5.567 -10.029 1.517 318 HB3 LEU 40 HB3 LEU 40 3.955 -10.598 1.171 319 HG LEU 40 HG LEU 40 5.707 -8.856 -0.403 320 HD11 LEU 40 HD11 LEU 40 5.012 -11.065 -1.080 321 HD12 LEU 40 HD12 LEU 40 3.319 -10.552 -1.109 322 HD13 LEU 40 HD13 LEU 40 4.499 -9.834 -2.240 323 HD21 LEU 40 HD21 LEU 40 4.049 -7.097 0.287 324 HD22 LEU 40 HD22 LEU 40 4.101 -7.438 -1.414 325 HD23 LEU 40 HD23 LEU 40 2.767 -8.103 -0.461 326 H PHE 41 H PHE 41 2.167 -10.582 2.414 327 HA PHE 41 HA PHE 41 0.182 -9.348 0.872 328 HB2 PHE 41 HB2 PHE 41 -0.076 -11.666 2.808 329 HB3 PHE 41 HB3 PHE 41 -1.234 -11.229 1.551 330 HD1 PHE 41 HD1 PHE 41 2.162 -12.464 2.220 331 HD2 PHE 41 HD2 PHE 41 -0.699 -11.566 -0.855 332 HE1 PHE 41 HE1 PHE 41 3.615 -13.604 0.550 333 HE2 PHE 41 HE2 PHE 41 0.749 -12.687 -2.528 334 HZ PHE 41 HZ PHE 41 2.900 -13.720 -1.834 335 H TRP 42 H TRP 42 0.630 -9.576 4.414 336 HA TRP 42 HA TRP 42 -1.756 -8.326 5.235 337 HB2 TRP 42 HB2 TRP 42 1.037 -8.543 6.354 338 HB3 TRP 42 HB3 TRP 42 -0.103 -7.486 7.139 339 HD1 TRP 42 HD1 TRP 42 0.902 -11.030 7.047 340 HE1 TRP 42 HE1 TRP 42 -0.719 -12.539 8.297 341 HE3 TRP 42 HE3 TRP 42 -2.945 -7.704 7.611 342 HZ2 TRP 42 HZ2 TRP 42 -3.408 -12.327 9.409 343 HZ3 TRP 42 HZ3 TRP 42 -5.041 -8.395 8.740 344 HH2 TRP 42 HH2 TRP 42 -5.289 -10.700 9.637 345 H GLU 43 H GLU 43 1.319 -6.719 4.066 346 HA GLU 43 HA GLU 43 0.404 -4.124 4.790 347 HB2 GLU 43 HB2 GLU 43 2.805 -5.020 4.331 348 HB3 GLU 43 HB3 GLU 43 2.413 -4.875 2.621 349 HG2 GLU 43 HG2 GLU 43 3.521 -2.907 3.138 350 HG3 GLU 43 HG3 GLU 43 1.838 -2.408 3.096 351 H VAL 44 H VAL 44 0.269 -6.013 1.677 352 HA VAL 44 HA VAL 44 -0.736 -3.801 0.196 353 HB VAL 44 HB VAL 44 -1.328 -5.549 -1.450 354 HG11 VAL 44 HG11 VAL 44 1.050 -6.055 -1.947 355 HG12 VAL 44 HG12 VAL 44 0.898 -4.395 -1.344 356 HG13 VAL 44 HG13 VAL 44 1.496 -5.701 -0.284 357 HG21 VAL 44 HG21 VAL 44 -1.727 -7.528 -0.085 358 HG22 VAL 44 HG22 VAL 44 -0.377 -7.812 -1.168 359 HG23 VAL 44 HG23 VAL 44 -0.034 -7.404 0.499 360 H MET 45 H MET 45 -2.343 -6.584 1.765 361 HA MET 45 HA MET 45 -4.996 -5.957 1.102 362 HB2 MET 45 HB2 MET 45 -4.272 -8.081 2.059 363 HB3 MET 45 HB3 MET 45 -3.737 -7.256 3.535 364 HG2 MET 45 HG2 MET 45 -5.885 -8.373 3.872 365 HG3 MET 45 HG3 MET 45 -5.927 -6.628 4.091 366 HE1 MET 45 HE1 MET 45 -7.947 -8.904 0.535 367 HE2 MET 45 HE2 MET 45 -6.174 -8.782 0.647 368 HE3 MET 45 HE3 MET 45 -7.086 -9.692 1.878 369 H ASP 46 H ASP 46 -2.866 -4.749 3.785 370 HA ASP 46 HA ASP 46 -4.844 -3.108 5.007 371 HB2 ASP 46 HB2 ASP 46 -2.720 -3.680 6.097 372 HB3 ASP 46 HB3 ASP 46 -1.822 -2.765 4.908 373 H GLU 47 H GLU 47 -2.567 -2.467 2.310 374 HA GLU 47 HA GLU 47 -3.069 0.284 2.021 375 HB2 GLU 47 HB2 GLU 47 -1.737 -1.938 0.538 376 HB3 GLU 47 HB3 GLU 47 -2.362 -0.700 -0.485 377 HG2 GLU 47 HG2 GLU 47 -0.418 -0.302 1.816 378 HG3 GLU 47 HG3 GLU 47 -0.006 -0.360 0.114 379 H VAL 48 H VAL 48 -5.225 -2.279 1.490 380 HA VAL 48 HA VAL 48 -6.949 -0.543 -0.222 381 HB VAL 48 HB VAL 48 -7.766 -2.485 -1.419 382 HG11 VAL 48 HG11 VAL 48 -5.782 -1.279 -2.305 383 HG12 VAL 48 HG12 VAL 48 -4.734 -2.462 -1.492 384 HG13 VAL 48 HG13 VAL 48 -5.826 -2.990 -2.792 385 HG21 VAL 48 HG21 VAL 48 -6.935 -4.707 -1.218 386 HG22 VAL 48 HG22 VAL 48 -5.610 -4.205 -0.160 387 HG23 VAL 48 HG23 VAL 48 -7.261 -4.179 0.441 388 H HIS 49 H HIS 49 -6.580 -1.729 2.761 389 HA HIS 49 HA HIS 49 -8.661 -3.330 3.195 390 HB2 HIS 49 HB2 HIS 49 -6.733 -2.296 4.788 391 HB3 HIS 49 HB3 HIS 49 -8.136 -1.561 5.517 392 HD1 HIS 49 HD1 HIS 49 -8.739 -3.166 7.559 393 HD2 HIS 49 HD2 HIS 49 -7.538 -5.101 4.021 394 HE1 HIS 49 HE1 HIS 49 -8.919 -5.665 8.020 395 H GLU 50 H GLU 50 -9.055 0.135 2.868 396 HA GLU 50 HA GLU 50 -11.568 0.445 4.131 397 HB2 GLU 50 HB2 GLU 50 -10.412 1.877 1.685 398 HB3 GLU 50 HB3 GLU 50 -11.804 2.406 2.609 399 HG2 GLU 50 HG2 GLU 50 -9.984 3.737 3.313 400 HG3 GLU 50 HG3 GLU 50 -10.402 2.652 4.634 401 H GLU 51 H GLU 51 -10.723 -1.175 1.149 402 HA GLU 51 HA GLU 51 -13.558 -1.293 0.253 403 HB2 GLU 51 HB2 GLU 51 -10.912 -1.772 -1.163 404 HB3 GLU 51 HB3 GLU 51 -12.476 -2.260 -1.813 405 HG2 GLU 51 HG2 GLU 51 -13.315 0.025 -1.724 406 HG3 GLU 51 HG3 GLU 51 -11.796 0.581 -1.041 407 H GLU 52 H GLU 52 -11.420 -3.030 2.189 408 HA GLU 52 HA GLU 52 -12.370 -5.714 1.269 409 HB2 GLU 52 HB2 GLU 52 -9.775 -4.800 2.454 410 HB3 GLU 52 HB3 GLU 52 -10.199 -6.477 2.294 411 HG2 GLU 52 HG2 GLU 52 -10.044 -4.493 -0.037 412 HG3 GLU 52 HG3 GLU 52 -8.800 -5.621 0.452 413 H GLU 53 H GLU 53 -12.293 -3.501 4.009 414 HA GLU 53 HA GLU 53 -12.454 -5.267 6.128 415 HB2 GLU 53 HB2 GLU 53 -13.623 -3.481 7.330 416 HB3 GLU 53 HB3 GLU 53 -12.232 -2.892 6.422 417 HG2 GLU 53 HG2 GLU 53 -13.729 -2.008 4.651 418 HG3 GLU 53 HG3 GLU 53 -15.130 -2.647 5.506 419 H PHE 54 H PHE 54 -14.929 -4.712 3.683 420 HA PHE 54 HA PHE 54 -17.109 -5.935 5.167 421 HB2 PHE 54 HB2 PHE 54 -17.375 -4.255 3.335 422 HB3 PHE 54 HB3 PHE 54 -16.733 -5.419 2.182 423 HD1 PHE 54 HD1 PHE 54 -19.580 -4.669 4.486 424 HD2 PHE 54 HD2 PHE 54 -18.150 -7.167 1.266 425 HE1 PHE 54 HE1 PHE 54 -21.871 -5.565 4.150 426 HE2 PHE 54 HE2 PHE 54 -20.435 -8.071 0.955 427 HZ PHE 54 HZ PHE 54 -22.302 -7.276 2.399 428 H ALA 55 H ALA 55 -14.362 -7.191 3.420 429 HA ALA 55 HA ALA 55 -15.707 -9.787 2.862 430 HB1 ALA 55 HB1 ALA 55 -15.509 -8.339 0.837 431 HB2 ALA 55 HB2 ALA 55 -13.755 -8.216 1.114 432 HB3 ALA 55 HB3 ALA 55 -14.488 -9.786 0.708 433 H VAL 56 H VAL 56 -13.192 -8.428 4.605 434 HA VAL 56 HA VAL 56 -11.417 -10.673 4.352 435 HB VAL 56 HB VAL 56 -10.559 -8.479 4.770 436 HG11 VAL 56 HG11 VAL 56 -12.405 -7.572 6.196 437 HG12 VAL 56 HG12 VAL 56 -11.771 -8.513 7.554 438 HG13 VAL 56 HG13 VAL 56 -10.774 -7.254 6.809 439 HG21 VAL 56 HG21 VAL 56 -8.960 -9.079 6.497 440 HG22 VAL 56 HG22 VAL 56 -10.048 -10.365 7.083 441 HG23 VAL 56 HG23 VAL 56 -9.345 -10.481 5.462 442 H GLU 57 H GLU 57 -13.300 -12.101 4.514 443 HA GLU 57 HA GLU 57 -13.508 -13.351 7.149 444 HB2 GLU 57 HB2 GLU 57 -16.002 -13.130 7.107 445 HB3 GLU 57 HB3 GLU 57 -15.155 -11.651 7.466 446 HG2 GLU 57 HG2 GLU 57 -15.655 -10.634 5.426 447 HG3 GLU 57 HG3 GLU 57 -15.932 -12.148 4.599 448 H GLY 58 H GLY 58 -12.311 -14.148 4.730 449 HA2 GLY 58 HA2 GLY 58 -13.720 -16.569 3.945 450 HA3 GLY 58 HA3 GLY 58 -13.680 -15.317 2.700 451 HA PRO 59 HA PRO 59 -9.707 -17.836 2.700 452 HB2 PRO 59 HB2 PRO 59 -9.810 -18.779 0.141 453 HB3 PRO 59 HB3 PRO 59 -10.651 -19.555 1.515 454 HG2 PRO 59 HG2 PRO 59 -11.806 -17.609 -0.506 455 HG3 PRO 59 HG3 PRO 59 -12.467 -19.188 0.050 456 HD2 PRO 59 HD2 PRO 59 -13.328 -16.849 1.091 457 HD3 PRO 59 HD3 PRO 59 -13.156 -18.331 2.088 458 H LEU 60 H LEU 60 -7.849 -17.571 1.077 459 HA LEU 60 HA LEU 60 -7.904 -15.097 -0.510 460 HB2 LEU 60 HB2 LEU 60 -6.894 -14.654 1.859 461 HB3 LEU 60 HB3 LEU 60 -5.596 -15.751 1.349 462 HG LEU 60 HG LEU 60 -5.076 -14.201 -0.557 463 HD11 LEU 60 HD11 LEU 60 -7.221 -13.053 -0.888 464 HD12 LEU 60 HD12 LEU 60 -7.168 -12.413 0.765 465 HD13 LEU 60 HD13 LEU 60 -5.995 -11.864 -0.448 466 HD21 LEU 60 HD21 LEU 60 -4.011 -12.470 0.814 467 HD22 LEU 60 HD22 LEU 60 -5.044 -12.903 2.194 468 HD23 LEU 60 HD23 LEU 60 -3.851 -14.060 1.570 469 H TRP 61 H TRP 61 -6.397 -15.193 -2.221 470 HA TRP 61 HA TRP 61 -5.150 -17.823 -2.810 471 HB2 TRP 61 HB2 TRP 61 -7.122 -16.106 -4.316 472 HB3 TRP 61 HB3 TRP 61 -6.316 -17.386 -5.137 473 HD1 TRP 61 HD1 TRP 61 -9.109 -16.522 -2.756 474 HE1 TRP 61 HE1 TRP 61 -10.687 -18.538 -2.415 475 HE3 TRP 61 HE3 TRP 61 -6.323 -20.060 -5.086 476 HZ2 TRP 61 HZ2 TRP 61 -10.677 -21.383 -3.053 477 HZ3 TRP 61 HZ3 TRP 61 -7.101 -22.434 -5.225 478 HH2 TRP 61 HH2 TRP 61 -9.274 -23.094 -4.209 479 H ILE 62 H ILE 62 -3.386 -17.581 -4.367 480 HA ILE 62 HA ILE 62 -2.525 -14.765 -4.834 481 HB ILE 62 HB ILE 62 -0.617 -16.968 -4.039 482 HG12 ILE 62 HG12 ILE 62 -2.077 -16.891 -2.092 483 HG13 ILE 62 HG13 ILE 62 -0.461 -16.307 -1.767 484 HG21 ILE 62 HG21 ILE 62 0.779 -14.984 -3.345 485 HG22 ILE 62 HG22 ILE 62 0.420 -15.053 -5.067 486 HG23 ILE 62 HG23 ILE 62 -0.485 -13.931 -4.034 487 HD11 ILE 62 HD11 ILE 62 -2.012 -14.939 -0.558 488 HD12 ILE 62 HD12 ILE 62 -1.325 -13.940 -1.849 489 HD13 ILE 62 HD13 ILE 62 -2.960 -14.594 -2.002 490 H GLN 63 H GLN 63 -1.507 -14.420 -6.749 491 HA GLN 63 HA GLN 63 -0.294 -16.675 -8.247 492 HB2 GLN 63 HB2 GLN 63 -2.454 -16.250 -9.352 493 HB3 GLN 63 HB3 GLN 63 -2.139 -14.531 -9.374 494 HG2 GLN 63 HG2 GLN 63 -0.113 -15.080 -10.908 495 HG3 GLN 63 HG3 GLN 63 -0.808 -16.699 -11.040 496 HE21 GLN 63 HE22 GLN 63 -3.014 -16.838 -12.100 497 HE22 GLN 63 HE21 GLN 63 -3.533 -15.538 -13.144 498 H VAL 64 H VAL 64 1.641 -15.843 -9.475 499 HA VAL 64 HA VAL 64 2.441 -13.066 -8.808 500 HB VAL 64 HB VAL 64 3.186 -14.541 -6.993 501 HG11 VAL 64 HG11 VAL 64 5.014 -16.106 -7.272 502 HG12 VAL 64 HG12 VAL 64 3.624 -16.635 -8.229 503 HG13 VAL 64 HG13 VAL 64 5.015 -15.862 -9.035 504 HG21 VAL 64 HG21 VAL 64 4.374 -12.478 -7.425 505 HG22 VAL 64 HG22 VAL 64 5.479 -13.750 -6.898 506 HG23 VAL 64 HG23 VAL 64 5.446 -13.295 -8.589 507 H GLN 65 H GLN 65 4.225 -12.308 -10.167 508 HA GLN 65 HA GLN 65 5.198 -14.054 -12.354 509 HB2 GLN 65 HB2 GLN 65 4.358 -11.108 -12.600 510 HB3 GLN 65 HB3 GLN 65 5.413 -11.937 -13.729 511 HG2 GLN 65 HG2 GLN 65 3.497 -12.143 -14.889 512 HG3 GLN 65 HG3 GLN 65 3.440 -13.621 -13.939 513 HE21 GLN 65 HE22 GLN 65 1.848 -13.818 -12.311 514 HE22 GLN 65 HE21 GLN 65 0.413 -12.787 -12.311 515 H ALA 66 H ALA 66 7.452 -13.629 -12.653 516 HA ALA 66 HA ALA 66 8.667 -11.548 -10.876 517 HB1 ALA 66 HB1 ALA 66 10.717 -12.851 -10.890 518 HB2 ALA 66 HB2 ALA 66 9.393 -13.801 -10.200 519 HB3 ALA 66 HB3 ALA 66 9.945 -14.122 -11.865 520 H LEU 67 H LEU 67 9.607 -9.956 -11.895 521 HA LEU 67 HA LEU 67 9.660 -9.869 -14.872 522 HB2 LEU 67 HB2 LEU 67 8.910 -7.740 -12.805 523 HB3 LEU 67 HB3 LEU 67 9.047 -7.459 -14.513 524 HG LEU 67 HG LEU 67 7.275 -9.548 -14.580 525 HD11 LEU 67 HD11 LEU 67 5.546 -9.165 -12.909 526 HD12 LEU 67 HD12 LEU 67 7.046 -9.789 -12.227 527 HD13 LEU 67 HD13 LEU 67 6.665 -8.053 -12.063 528 HD21 LEU 67 HD21 LEU 67 6.549 -6.615 -14.115 529 HD22 LEU 67 HD22 LEU 67 7.004 -7.318 -15.687 530 HD23 LEU 67 HD23 LEU 67 5.515 -7.834 -14.880 531 H ASP 68 H ASP 68 11.013 -7.506 -15.227 532 HA ASP 68 HA ASP 68 13.591 -8.537 -15.105 533 HB2 ASP 68 HB2 ASP 68 12.750 -6.862 -16.748 534 HB3 ASP 68 HB3 ASP 68 12.913 -5.612 -15.515 535 H LYS 69 H LYS 69 12.179 -6.109 -12.877 536 HA LYS 69 HA LYS 69 14.432 -6.578 -11.006 537 HB2 LYS 69 HB2 LYS 69 13.485 -3.853 -11.861 538 HB3 LYS 69 HB3 LYS 69 14.590 -4.140 -10.525 539 HG2 LYS 69 HG2 LYS 69 15.156 -4.808 -13.419 540 HG3 LYS 69 HG3 LYS 69 15.744 -3.409 -12.548 541 HD2 LYS 69 HD2 LYS 69 16.980 -4.887 -10.958 542 HD3 LYS 69 HD3 LYS 69 16.453 -6.301 -11.821 543 HE2 LYS 69 HE2 LYS 69 18.035 -4.055 -13.129 544 HE3 LYS 69 HE3 LYS 69 18.766 -5.503 -12.430 545 HZ1 LYS 69 HZ1 LYS 69 16.828 -5.518 -14.696 546 HZ2 LYS 69 HZ2 LYS 69 18.442 -5.754 -14.809 547 HZ3 LYS 69 HZ3 LYS 69 17.515 -6.844 -14.021 548 H GLY 70 H GLY 70 11.575 -7.467 -11.036 549 HA2 GLY 70 HA2 GLY 70 10.888 -6.947 -8.324 550 HA3 GLY 70 HA3 GLY 70 9.942 -5.901 -9.372 551 H LEU 71 H LEU 71 8.225 -7.299 -8.324 552 HA LEU 71 HA LEU 71 7.579 -9.570 -10.151 553 HB2 LEU 71 HB2 LEU 71 7.151 -9.491 -7.136 554 HB3 LEU 71 HB3 LEU 71 6.594 -10.761 -8.197 555 HG LEU 71 HG LEU 71 9.430 -10.511 -8.649 556 HD11 LEU 71 HD11 LEU 71 9.497 -9.281 -6.536 557 HD12 LEU 71 HD12 LEU 71 8.675 -10.620 -5.702 558 HD13 LEU 71 HD13 LEU 71 10.307 -10.858 -6.376 559 HD21 LEU 71 HD21 LEU 71 9.562 -12.784 -7.888 560 HD22 LEU 71 HD22 LEU 71 7.974 -12.675 -7.113 561 HD23 LEU 71 HD23 LEU 71 8.081 -12.577 -8.852 562 H GLU 72 H GLU 72 5.379 -9.704 -10.625 563 HA GLU 72 HA GLU 72 3.572 -7.642 -9.412 564 HB2 GLU 72 HB2 GLU 72 3.222 -9.318 -11.928 565 HB3 GLU 72 HB3 GLU 72 1.854 -8.688 -11.032 566 HG2 GLU 72 HG2 GLU 72 2.704 -6.371 -11.274 567 HG3 GLU 72 HG3 GLU 72 4.006 -6.976 -12.296 568 H ILE 73 H ILE 73 1.958 -8.395 -8.073 569 HA ILE 73 HA ILE 73 1.755 -11.321 -7.734 570 HB ILE 73 HB ILE 73 1.643 -9.274 -5.545 571 HG12 ILE 73 HG12 ILE 73 3.565 -10.195 -4.417 572 HG13 ILE 73 HG13 ILE 73 3.936 -11.290 -5.654 573 HG21 ILE 73 HG21 ILE 73 0.219 -11.246 -5.145 574 HG22 ILE 73 HG22 ILE 73 1.600 -12.326 -5.433 575 HG23 ILE 73 HG23 ILE 73 1.574 -11.253 -4.020 576 HD11 ILE 73 HD11 ILE 73 5.335 -9.168 -5.439 577 HD12 ILE 73 HD12 ILE 73 4.755 -9.539 -7.060 578 HD13 ILE 73 HD13 ILE 73 3.950 -8.274 -6.103 579 H ILE 74 H ILE 74 -0.345 -11.920 -7.881 580 HA ILE 74 HA ILE 74 -2.515 -9.847 -7.920 581 HB ILE 74 HB ILE 74 -2.131 -12.414 -9.505 582 HG12 ILE 74 HG12 ILE 74 -2.626 -11.097 -11.492 583 HG13 ILE 74 HG13 ILE 74 -2.782 -9.633 -10.545 584 HG21 ILE 74 HG21 ILE 74 -4.427 -12.054 -10.414 585 HG22 ILE 74 HG22 ILE 74 -4.436 -12.429 -8.699 586 HG23 ILE 74 HG23 ILE 74 -4.663 -10.743 -9.232 587 HD11 ILE 74 HD11 ILE 74 -0.193 -11.237 -10.732 588 HD12 ILE 74 HD12 ILE 74 -0.637 -9.931 -11.856 589 HD13 ILE 74 HD13 ILE 74 -0.406 -9.560 -10.150 590 H VAL 75 H VAL 75 -4.313 -10.373 -6.596 591 HA VAL 75 HA VAL 75 -4.025 -12.720 -4.857 592 HB VAL 75 HB VAL 75 -4.903 -10.236 -3.494 593 HG11 VAL 75 HG11 VAL 75 -4.467 -12.387 -2.328 594 HG12 VAL 75 HG12 VAL 75 -2.765 -12.291 -2.826 595 HG13 VAL 75 HG13 VAL 75 -3.430 -11.078 -1.708 596 HG21 VAL 75 HG21 VAL 75 -3.079 -9.163 -4.796 597 HG22 VAL 75 HG22 VAL 75 -2.673 -9.297 -3.085 598 HG23 VAL 75 HG23 VAL 75 -1.958 -10.434 -4.248 599 H THR 76 H THR 76 -6.059 -13.690 -4.469 600 HA THR 76 HA THR 76 -8.411 -12.269 -5.609 601 HB THR 76 HB THR 76 -8.890 -13.898 -7.142 602 HG1 THR 76 HG1 THR 76 -8.186 -15.937 -7.234 603 HG21 THR 76 HG21 THR 76 -6.719 -12.728 -7.814 604 HG22 THR 76 HG22 THR 76 -5.838 -14.155 -7.187 605 HG23 THR 76 HG23 THR 76 -6.959 -14.314 -8.558 606 H LYS 77 H LYS 77 -10.462 -13.619 -5.258 607 HA LYS 77 HA LYS 77 -10.563 -15.195 -2.790 608 HB2 LYS 77 HB2 LYS 77 -12.069 -12.581 -3.125 609 HB3 LYS 77 HB3 LYS 77 -12.522 -13.821 -1.977 610 HG2 LYS 77 HG2 LYS 77 -11.201 -12.913 -0.452 611 HG3 LYS 77 HG3 LYS 77 -9.827 -13.478 -1.352 612 HD2 LYS 77 HD2 LYS 77 -9.529 -11.111 -0.913 613 HD3 LYS 77 HD3 LYS 77 -9.781 -11.378 -2.646 614 HE2 LYS 77 HE2 LYS 77 -12.319 -10.879 -2.093 615 HE3 LYS 77 HE3 LYS 77 -11.730 -10.249 -0.564 616 HZ1 LYS 77 HZ1 LYS 77 -12.055 -8.653 -2.536 617 HZ2 LYS 77 HZ2 LYS 77 -10.761 -8.472 -1.597 618 HZ3 LYS 77 HZ3 LYS 77 -10.592 -9.215 -3.081 619 H ALA 78 H ALA 78 -12.856 -16.057 -2.589 620 HA ALA 78 HA ALA 78 -14.078 -16.896 -5.072 621 HB1 ALA 78 HB1 ALA 78 -15.175 -16.774 -2.215 622 HB2 ALA 78 HB2 ALA 78 -15.908 -17.646 -3.578 623 HB3 ALA 78 HB3 ALA 78 -14.337 -18.163 -2.949 624 H GLN 79 H GLN 79 -16.364 -16.193 -5.616 625 HA GLN 79 HA GLN 79 -16.535 -13.283 -5.729 626 HB2 GLN 79 HB2 GLN 79 -18.288 -15.475 -6.906 627 HB3 GLN 79 HB3 GLN 79 -18.527 -13.744 -7.180 628 HG2 GLN 79 HG2 GLN 79 -16.136 -13.627 -8.037 629 HG3 GLN 79 HG3 GLN 79 -16.127 -15.396 -8.041 630 HE21 GLN 79 HE22 GLN 79 -18.057 -16.443 -9.287 631 HE22 GLN 79 HE21 GLN 79 -18.650 -15.589 -10.695 632 H LEU 80 H LEU 80 -16.574 -13.430 -3.254 633 HA LEU 80 HA LEU 80 -18.811 -14.246 -1.760 634 HB2 LEU 80 HB2 LEU 80 -16.580 -13.642 -0.846 635 HB3 LEU 80 HB3 LEU 80 -16.860 -11.954 -1.294 636 HG LEU 80 HG LEU 80 -18.738 -11.819 0.327 637 HD11 LEU 80 HD11 LEU 80 -17.926 -14.668 1.072 638 HD12 LEU 80 HD12 LEU 80 -19.017 -13.634 2.017 639 HD13 LEU 80 HD13 LEU 80 -19.494 -14.164 0.403 640 HD21 LEU 80 HD21 LEU 80 -16.463 -11.185 0.983 641 HD22 LEU 80 HD22 LEU 80 -17.350 -11.869 2.351 642 HD23 LEU 80 HD23 LEU 80 -16.128 -12.850 1.512 643 H SER 81 H SER 81 -18.288 -11.294 -3.641 644 HA SER 81 HA SER 81 -20.922 -10.198 -2.804 645 HB2 SER 81 HB2 SER 81 -18.410 -8.743 -3.685 646 HB3 SER 81 HB3 SER 81 -19.915 -8.003 -3.103 647 HG SER 81 HG SER 81 -18.247 -8.184 -1.468 648 H LYS 82 H LYS 82 -20.728 -12.150 -4.840 649 HA LYS 82 HA LYS 82 -20.697 -11.212 -7.501 650 HB2 LYS 82 HB2 LYS 82 -20.947 -13.595 -6.687 651 HB3 LYS 82 HB3 LYS 82 -22.620 -13.231 -6.246 652 HG2 LYS 82 HG2 LYS 82 -23.022 -12.623 -8.690 653 HG3 LYS 82 HG3 LYS 82 -21.393 -13.199 -9.046 654 HD2 LYS 82 HD2 LYS 82 -23.689 -14.830 -7.873 655 HD3 LYS 82 HD3 LYS 82 -23.146 -14.864 -9.555 656 HE2 LYS 82 HE2 LYS 82 -20.921 -15.724 -8.825 657 HE3 LYS 82 HE3 LYS 82 -21.482 -15.726 -7.142 658 HZ1 LYS 82 HZ1 LYS 82 -21.691 -17.920 -8.141 659 HZ2 LYS 82 HZ2 LYS 82 -23.175 -17.353 -7.779 660 HZ3 LYS 82 HZ3 LYS 82 -22.653 -17.360 -9.333 661 H ASP 83 H ASP 83 -23.137 -10.867 -4.964 662 HA ASP 83 HA ASP 83 -24.349 -8.628 -6.456 663 HB2 ASP 83 HB2 ASP 83 -26.043 -10.368 -6.630 664 HB3 ASP 83 HB3 ASP 83 -25.859 -10.781 -4.924 665 H LEU 84 H LEU 84 -25.152 -7.023 -4.902 666 HA LEU 84 HA LEU 84 -24.156 -7.090 -2.175 667 HB2 LEU 84 HB2 LEU 84 -22.048 -6.774 -3.503 668 HB3 LEU 84 HB3 LEU 84 -22.747 -5.328 -4.230 669 HG LEU 84 HG LEU 84 -22.840 -4.247 -1.981 670 HD11 LEU 84 HD11 LEU 84 -21.537 -5.288 -0.118 671 HD12 LEU 84 HD12 LEU 84 -22.996 -6.202 -0.504 672 HD13 LEU 84 HD13 LEU 84 -21.408 -6.783 -1.066 673 HD21 LEU 84 HD21 LEU 84 -20.419 -3.891 -1.776 674 HD22 LEU 84 HD22 LEU 84 -20.103 -5.334 -2.767 675 HD23 LEU 84 HD23 LEU 84 -20.909 -3.915 -3.476 676 H ASP 85 H ASP 85 -25.325 -5.148 -4.978 677 HA ASP 85 HA ASP 85 -26.064 -2.868 -3.453 678 HB2 ASP 85 HB2 ASP 85 -25.673 -2.861 -5.892 679 HB3 ASP 85 HB3 ASP 85 -27.118 -3.850 -6.134 680 H LYS 86 H LYS 86 -27.825 -5.883 -4.167 681 HA LYS 86 HA LYS 86 -30.390 -4.705 -3.229 682 HB2 LYS 86 HB2 LYS 86 -29.913 -7.462 -4.378 683 HB3 LYS 86 HB3 LYS 86 -31.450 -6.672 -4.063 684 HG2 LYS 86 HG2 LYS 86 -29.391 -6.058 -6.188 685 HG3 LYS 86 HG3 LYS 86 -31.082 -6.532 -6.345 686 HD2 LYS 86 HD2 LYS 86 -31.839 -4.336 -5.551 687 HD3 LYS 86 HD3 LYS 86 -30.147 -3.822 -5.333 688 HE2 LYS 86 HE2 LYS 86 -29.732 -4.403 -7.756 689 HE3 LYS 86 HE3 LYS 86 -31.469 -4.662 -7.919 690 HZ1 LYS 86 HZ1 LYS 86 -30.115 -2.134 -7.120 691 HZ2 LYS 86 HZ2 LYS 86 -30.807 -2.401 -8.583 692 HZ3 LYS 86 HZ3 LYS 86 -31.756 -2.295 -7.254 693 H LEU 87 H LEU 87 -31.779 -6.046 -1.893 694 HA LEU 87 HA LEU 87 -30.385 -6.873 0.571 695 HB2 LEU 87 HB2 LEU 87 -30.135 -4.454 0.317 696 HB3 LEU 87 HB3 LEU 87 -31.845 -4.238 0.018 697 HG LEU 87 HG LEU 87 -30.963 -3.480 2.215 698 HD11 LEU 87 HD11 LEU 87 -32.867 -4.080 3.491 699 HD12 LEU 87 HD12 LEU 87 -33.360 -3.973 1.788 700 HD13 LEU 87 HD13 LEU 87 -33.143 -5.555 2.563 701 HD21 LEU 87 HD21 LEU 87 -29.403 -5.376 2.546 702 HD22 LEU 87 HD22 LEU 87 -30.418 -5.033 3.966 703 HD23 LEU 87 HD23 LEU 87 -30.783 -6.425 2.926 704 H VAL 88 H VAL 88 -31.782 -7.953 1.920 705 HA VAL 88 HA VAL 88 -34.676 -8.070 1.341 706 HB VAL 88 HB VAL 88 -34.668 -10.519 1.423 707 HG11 VAL 88 HG11 VAL 88 -32.814 -9.577 -0.793 708 HG12 VAL 88 HG12 VAL 88 -33.870 -11.005 -0.795 709 HG13 VAL 88 HG13 VAL 88 -34.583 -9.388 -0.782 710 HG21 VAL 88 HG21 VAL 88 -31.628 -10.378 1.345 711 HG22 VAL 88 HG22 VAL 88 -32.627 -10.922 2.710 712 HG23 VAL 88 HG23 VAL 88 -32.628 -11.844 1.201 713 HA PRO 89 HA PRO 89 -35.129 -8.024 5.744 714 HB2 PRO 89 HB2 PRO 89 -36.845 -10.497 5.494 715 HB3 PRO 89 HB3 PRO 89 -37.191 -8.954 6.336 716 HG2 PRO 89 HG2 PRO 89 -38.308 -9.504 3.933 717 HG3 PRO 89 HG3 PRO 89 -37.715 -7.857 4.319 718 HD2 PRO 89 HD2 PRO 89 -36.381 -9.962 2.635 719 HD3 PRO 89 HD3 PRO 89 -36.459 -8.206 2.405 720 H ARG 90 H ARG 90 -34.630 -9.149 7.716 721 HA ARG 90 HA ARG 90 -32.462 -11.054 7.645 722 HB2 ARG 90 HB2 ARG 90 -34.153 -9.938 9.854 723 HB3 ARG 90 HB3 ARG 90 -33.012 -11.262 10.113 724 HG2 ARG 90 HG2 ARG 90 -31.135 -9.920 9.223 725 HG3 ARG 90 HG3 ARG 90 -32.246 -8.598 8.825 726 HD2 ARG 90 HD2 ARG 90 -31.248 -7.984 10.887 727 HD3 ARG 90 HD3 ARG 90 -32.920 -8.522 11.188 728 HE ARG 90 HE ARG 90 -31.095 -10.707 11.499 729 HH11 ARG 90 HH21 ARG 90 -32.090 -7.754 13.220 730 HH12 ARG 90 HH22 ARG 90 -31.684 -8.360 14.785 731 HH21 ARG 90 HH12 ARG 90 -30.556 -11.511 13.590 732 HH22 ARG 90 HH11 ARG 90 -30.795 -10.543 14.996 Start of MODEL 15 1 H1 MET 1 H1 MET 1 6.673 0.247 -2.769 2 H2 MET 1 H2 MET 1 6.278 1.403 -3.873 3 H3 MET 1 H3 MET 1 5.227 1.038 -2.683 4 HA MET 1 HA MET 1 6.070 -0.693 -4.912 5 HB2 MET 1 HB2 MET 1 4.641 -2.458 -4.130 6 HB3 MET 1 HB3 MET 1 5.759 -2.032 -2.863 7 HG2 MET 1 HG2 MET 1 3.830 -0.616 -1.861 8 HG3 MET 1 HG3 MET 1 2.787 -1.462 -2.993 9 HE1 MET 1 HE1 MET 1 2.402 -4.032 -2.932 10 HE2 MET 1 HE2 MET 1 4.139 -4.412 -2.953 11 HE3 MET 1 HE3 MET 1 3.083 -5.157 -1.730 12 H GLU 2 H GLU 2 3.762 -1.592 -5.966 13 HA GLU 2 HA GLU 2 2.252 0.872 -6.762 14 HB2 GLU 2 HB2 GLU 2 4.067 -1.044 -8.194 15 HB3 GLU 2 HB3 GLU 2 2.551 -0.811 -8.999 16 HG2 GLU 2 HG2 GLU 2 2.868 1.674 -8.921 17 HG3 GLU 2 HG3 GLU 2 4.415 1.435 -8.108 18 H ILE 3 H ILE 3 -0.012 0.492 -6.809 19 HA ILE 3 HA ILE 3 -0.924 -2.296 -6.205 20 HB ILE 3 HB ILE 3 -2.054 0.295 -5.141 21 HG12 ILE 3 HG12 ILE 3 0.103 0.004 -4.081 22 HG13 ILE 3 HG13 ILE 3 -1.212 -0.330 -2.981 23 HG21 ILE 3 HG21 ILE 3 -3.801 -1.347 -5.197 24 HG22 ILE 3 HG22 ILE 3 -2.740 -2.615 -4.558 25 HG23 ILE 3 HG23 ILE 3 -3.247 -1.255 -3.537 26 HD11 ILE 3 HD11 ILE 3 -0.832 -2.796 -3.261 27 HD12 ILE 3 HD12 ILE 3 0.594 -2.386 -4.249 28 HD13 ILE 3 HD13 ILE 3 0.520 -1.915 -2.545 29 H GLU 4 H GLU 4 -2.963 -2.921 -7.192 30 HA GLU 4 HA GLU 4 -4.481 -0.927 -8.738 31 HB2 GLU 4 HB2 GLU 4 -2.941 -2.122 -10.304 32 HB3 GLU 4 HB3 GLU 4 -3.541 -3.649 -9.689 33 HG2 GLU 4 HG2 GLU 4 -4.572 -3.123 -11.757 34 HG3 GLU 4 HG3 GLU 4 -5.794 -3.123 -10.526 35 H ARG 5 H ARG 5 -6.709 -1.533 -8.894 36 HA ARG 5 HA ARG 5 -7.618 -3.753 -7.122 37 HB2 ARG 5 HB2 ARG 5 -7.650 -1.469 -6.120 38 HB3 ARG 5 HB3 ARG 5 -8.803 -0.950 -7.335 39 HG2 ARG 5 HG2 ARG 5 -9.307 -3.345 -5.496 40 HG3 ARG 5 HG3 ARG 5 -9.544 -1.694 -5.019 41 HD2 ARG 5 HD2 ARG 5 -11.151 -1.423 -7.011 42 HD3 ARG 5 HD3 ARG 5 -10.986 -3.178 -7.230 43 HE ARG 5 HE ARG 5 -12.423 -3.537 -5.510 44 HH11 ARG 5 HH11 ARG 5 -11.232 -0.169 -5.110 45 HH12 ARG 5 HH12 ARG 5 -12.195 0.097 -3.683 46 HH21 ARG 5 HH21 ARG 5 -13.959 -2.939 -3.808 47 HH22 ARG 5 HH22 ARG 5 -13.846 -1.340 -3.128 48 H ILE 6 H ILE 6 -8.084 -5.182 -8.795 49 HA ILE 6 HA ILE 6 -8.863 -4.365 -11.413 50 HB ILE 6 HB ILE 6 -9.094 -7.093 -10.101 51 HG12 ILE 6 HG12 ILE 6 -6.814 -6.325 -9.814 52 HG13 ILE 6 HG13 ILE 6 -6.901 -7.576 -11.014 53 HG21 ILE 6 HG21 ILE 6 -8.831 -7.998 -12.371 54 HG22 ILE 6 HG22 ILE 6 -10.324 -7.070 -12.172 55 HG23 ILE 6 HG23 ILE 6 -8.951 -6.350 -13.036 56 HD11 ILE 6 HD11 ILE 6 -5.358 -5.706 -11.640 57 HD12 ILE 6 HD12 ILE 6 -6.633 -5.990 -12.834 58 HD13 ILE 6 HD13 ILE 6 -6.768 -4.636 -11.693 59 H ASN 7 H ASN 7 -10.572 -6.025 -8.783 60 HA ASN 7 HA ASN 7 -13.098 -4.684 -9.293 61 HB2 ASN 7 HB2 ASN 7 -14.443 -6.547 -9.894 62 HB3 ASN 7 HB3 ASN 7 -13.120 -6.508 -11.017 63 HD21 ASN 7 HD22 ASN 7 -14.244 -8.818 -11.197 64 HD22 ASN 7 HD21 ASN 7 -13.422 -10.067 -10.291 65 H GLU 8 H GLU 8 -14.699 -6.578 -7.737 66 HA GLU 8 HA GLU 8 -13.865 -5.671 -5.170 67 HB2 GLU 8 HB2 GLU 8 -16.246 -6.165 -6.219 68 HB3 GLU 8 HB3 GLU 8 -15.967 -7.804 -5.646 69 HG2 GLU 8 HG2 GLU 8 -17.271 -6.671 -4.005 70 HG3 GLU 8 HG3 GLU 8 -15.670 -6.830 -3.304 71 H HIS 9 H HIS 9 -12.751 -8.405 -6.861 72 HA HIS 9 HA HIS 9 -12.245 -9.968 -4.329 73 HB2 HIS 9 HB2 HIS 9 -13.104 -10.954 -7.092 74 HB3 HIS 9 HB3 HIS 9 -12.707 -11.975 -5.721 75 HD1 HIS 9 HD1 HIS 9 -15.682 -10.770 -7.376 76 HD2 HIS 9 HD2 HIS 9 -14.414 -10.976 -3.365 77 HE1 HIS 9 HE1 HIS 9 -17.785 -10.702 -5.952 78 H THR 10 H THR 10 -11.168 -9.332 -7.709 79 HA THR 10 HA THR 10 -8.500 -10.376 -7.029 80 HB THR 10 HB THR 10 -9.530 -9.180 -9.612 81 HG1 THR 10 HG1 THR 10 -9.831 -11.320 -10.257 82 HG21 THR 10 HG21 THR 10 -7.065 -10.906 -9.085 83 HG22 THR 10 HG22 THR 10 -7.553 -10.182 -10.642 84 HG23 THR 10 HG23 THR 10 -7.005 -9.155 -9.307 85 H VAL 11 H VAL 11 -6.886 -9.061 -6.499 86 HA VAL 11 HA VAL 11 -6.850 -6.284 -7.403 87 HB VAL 11 HB VAL 11 -6.084 -5.374 -5.287 88 HG11 VAL 11 HG11 VAL 11 -8.733 -6.787 -4.744 89 HG12 VAL 11 HG12 VAL 11 -8.178 -5.221 -4.117 90 HG13 VAL 11 HG13 VAL 11 -8.573 -5.410 -5.837 91 HG21 VAL 11 HG21 VAL 11 -6.317 -6.557 -3.145 92 HG22 VAL 11 HG22 VAL 11 -6.781 -8.046 -3.992 93 HG23 VAL 11 HG23 VAL 11 -5.139 -7.373 -4.184 94 H LYS 12 H LYS 12 -4.500 -5.575 -7.537 95 HA LYS 12 HA LYS 12 -2.619 -7.785 -7.104 96 HB2 LYS 12 HB2 LYS 12 -1.761 -7.928 -9.256 97 HB3 LYS 12 HB3 LYS 12 -3.498 -8.068 -9.474 98 HG2 LYS 12 HG2 LYS 12 -3.620 -5.773 -10.248 99 HG3 LYS 12 HG3 LYS 12 -1.867 -5.581 -10.015 100 HD2 LYS 12 HD2 LYS 12 -1.529 -7.575 -11.562 101 HD3 LYS 12 HD3 LYS 12 -3.264 -7.492 -11.956 102 HE2 LYS 12 HE2 LYS 12 -3.000 -5.233 -12.847 103 HE3 LYS 12 HE3 LYS 12 -1.379 -5.141 -12.127 104 HZ1 LYS 12 HZ1 LYS 12 -0.572 -6.752 -13.688 105 HZ2 LYS 12 HZ2 LYS 12 -2.075 -6.987 -14.344 106 HZ3 LYS 12 HZ3 LYS 12 -1.306 -5.557 -14.536 107 H PHE 13 H PHE 13 -0.347 -7.038 -7.505 108 HA PHE 13 HA PHE 13 0.026 -4.145 -7.385 109 HB2 PHE 13 HB2 PHE 13 1.326 -4.281 -5.291 110 HB3 PHE 13 HB3 PHE 13 -0.375 -4.628 -5.057 111 HD1 PHE 13 HD1 PHE 13 -1.118 -6.976 -4.572 112 HD2 PHE 13 HD2 PHE 13 3.033 -5.866 -4.828 113 HE1 PHE 13 HE1 PHE 13 -0.506 -8.951 -3.185 114 HE2 PHE 13 HE2 PHE 13 3.643 -7.792 -3.406 115 HZ PHE 13 HZ PHE 13 1.860 -9.298 -2.509 116 H TYR 14 H TYR 14 2.390 -3.646 -7.454 117 HA TYR 14 HA TYR 14 4.051 -5.816 -8.581 118 HB2 TYR 14 HB2 TYR 14 3.393 -4.553 -10.496 119 HB3 TYR 14 HB3 TYR 14 3.592 -3.030 -9.666 120 HD1 TYR 14 HD2 TYR 14 5.439 -6.023 -10.885 121 HD2 TYR 14 HD1 TYR 14 5.701 -1.978 -9.476 122 HE1 TYR 14 HE2 TYR 14 7.835 -6.041 -11.434 123 HE2 TYR 14 HE1 TYR 14 8.165 -1.966 -9.980 124 HH TYR 14 HH TYR 14 9.960 -3.157 -10.900 125 H MET 15 H MET 15 6.077 -5.810 -7.801 126 HA MET 15 HA MET 15 6.710 -3.878 -5.625 127 HB2 MET 15 HB2 MET 15 5.484 -6.024 -4.898 128 HB3 MET 15 HB3 MET 15 6.922 -6.898 -5.425 129 HG2 MET 15 HG2 MET 15 8.265 -5.729 -3.829 130 HG3 MET 15 HG3 MET 15 6.930 -4.661 -3.434 131 HE1 MET 15 HE1 MET 15 6.503 -6.234 -0.111 132 HE2 MET 15 HE2 MET 15 7.600 -5.135 -1.018 133 HE3 MET 15 HE3 MET 15 5.833 -4.957 -1.141 134 H SER 16 H SER 16 8.523 -2.984 -6.402 135 HA SER 16 HA SER 16 10.479 -4.354 -8.042 136 HB2 SER 16 HB2 SER 16 10.965 -1.887 -6.373 137 HB3 SER 16 HB3 SER 16 11.735 -2.353 -7.901 138 HG SER 16 HG SER 16 10.154 -0.683 -8.163 139 H TYR 17 H TYR 17 12.516 -5.177 -7.310 140 HA TYR 17 HA TYR 17 12.527 -6.627 -4.953 141 HB2 TYR 17 HB2 TYR 17 14.938 -5.496 -6.412 142 HB3 TYR 17 HB3 TYR 17 14.985 -6.789 -5.216 143 HD1 TYR 17 HD2 TYR 17 12.382 -8.267 -6.222 144 HD2 TYR 17 HD1 TYR 17 15.909 -6.730 -8.203 145 HE1 TYR 17 HE2 TYR 17 12.164 -9.990 -7.945 146 HE2 TYR 17 HE1 TYR 17 15.704 -8.478 -9.925 147 HH TYR 17 HH TYR 17 13.087 -10.961 -9.886 148 H GLY 18 H GLY 18 13.888 -3.295 -5.316 149 HA2 GLY 18 HA2 GLY 18 14.971 -3.402 -2.693 150 HA3 GLY 18 HA3 GLY 18 14.817 -1.994 -3.651 151 H ASP 19 H ASP 19 11.637 -2.977 -3.574 152 HA ASP 19 HA ASP 19 10.845 -1.465 -1.207 153 HB2 ASP 19 HB2 ASP 19 9.414 -2.068 -3.343 154 HB3 ASP 19 HB3 ASP 19 9.177 -3.616 -2.588 155 H ILE 20 H ILE 20 11.430 -4.845 -2.083 156 HA ILE 20 HA ILE 20 10.608 -5.996 0.441 157 HB ILE 20 HB ILE 20 12.114 -7.104 -1.984 158 HG12 ILE 20 HG12 ILE 20 9.301 -7.883 -1.240 159 HG13 ILE 20 HG13 ILE 20 9.528 -6.310 -1.976 160 HG21 ILE 20 HG21 ILE 20 12.642 -8.415 0.018 161 HG22 ILE 20 HG22 ILE 20 10.902 -8.624 0.343 162 HG23 ILE 20 HG23 ILE 20 11.624 -9.318 -1.120 163 HD11 ILE 20 HD11 ILE 20 10.580 -7.256 -3.939 164 HD12 ILE 20 HD12 ILE 20 10.440 -8.903 -3.249 165 HD13 ILE 20 HD13 ILE 20 8.987 -7.962 -3.665 166 H GLU 21 H GLU 21 13.734 -5.058 -1.106 167 HA GLU 21 HA GLU 21 15.409 -5.888 1.029 168 HB2 GLU 21 HB2 GLU 21 15.844 -3.427 -0.726 169 HB3 GLU 21 HB3 GLU 21 17.042 -4.282 0.215 170 HG2 GLU 21 HG2 GLU 21 16.655 -6.301 -1.247 171 HG3 GLU 21 HG3 GLU 21 15.670 -5.336 -2.280 172 H ASP 22 H ASP 22 13.498 -2.861 0.643 173 HA ASP 22 HA ASP 22 14.802 -1.357 2.655 174 HB2 ASP 22 HB2 ASP 22 13.196 -0.461 0.968 175 HB3 ASP 22 HB3 ASP 22 11.880 -1.243 1.820 176 H ARG 23 H ARG 23 12.065 -3.509 2.722 177 HA ARG 23 HA ARG 23 11.404 -3.293 5.526 178 HB2 ARG 23 HB2 ARG 23 10.887 -5.515 3.504 179 HB3 ARG 23 HB3 ARG 23 10.070 -5.346 5.069 180 HG2 ARG 23 HG2 ARG 23 8.848 -3.459 4.398 181 HG3 ARG 23 HG3 ARG 23 9.894 -3.138 3.017 182 HD2 ARG 23 HD2 ARG 23 9.169 -5.277 1.962 183 HD3 ARG 23 HD3 ARG 23 7.973 -5.502 3.227 184 HE ARG 23 HE ARG 23 7.977 -3.618 0.966 185 HH11 ARG 23 HH11 ARG 23 6.524 -4.030 4.217 186 HH12 ARG 23 HH12 ARG 23 5.342 -2.784 3.948 187 HH21 ARG 23 HH21 ARG 23 6.456 -2.208 0.593 188 HH22 ARG 23 HH22 ARG 23 5.225 -1.756 1.770 189 H GLY 24 H GLY 24 14.080 -4.696 3.905 190 HA2 GLY 24 HA2 GLY 24 15.869 -5.836 4.728 191 HA3 GLY 24 HA3 GLY 24 15.058 -6.003 6.289 192 H PHE 25 H PHE 25 13.149 -7.027 3.617 193 HA PHE 25 HA PHE 25 13.578 -9.925 4.165 194 HB2 PHE 25 HB2 PHE 25 11.535 -8.412 2.490 195 HB3 PHE 25 HB3 PHE 25 11.625 -10.164 2.612 196 HD1 PHE 25 HD2 PHE 25 11.397 -7.194 4.915 197 HD2 PHE 25 HD1 PHE 25 9.955 -11.164 4.051 198 HE1 PHE 25 HE2 PHE 25 9.958 -7.078 6.880 199 HE2 PHE 25 HE1 PHE 25 8.507 -11.031 6.011 200 HZ PHE 25 HZ PHE 25 8.496 -9.009 7.469 201 H ASP 26 H ASP 26 13.336 -11.053 1.688 202 HA ASP 26 HA ASP 26 15.013 -9.553 -0.203 203 HB2 ASP 26 HB2 ASP 26 16.355 -11.402 1.300 204 HB3 ASP 26 HB3 ASP 26 15.702 -12.441 0.059 205 H ARG 27 H ARG 27 14.802 -10.425 -2.338 206 HA ARG 27 HA ARG 27 12.044 -10.837 -2.929 207 HB2 ARG 27 HB2 ARG 27 12.792 -10.749 -5.254 208 HB3 ARG 27 HB3 ARG 27 13.715 -9.587 -4.306 209 HG2 ARG 27 HG2 ARG 27 15.399 -11.745 -4.120 210 HG3 ARG 27 HG3 ARG 27 14.575 -12.132 -5.620 211 HD2 ARG 27 HD2 ARG 27 15.264 -9.874 -6.492 212 HD3 ARG 27 HD3 ARG 27 16.088 -9.549 -4.962 213 HE ARG 27 HE ARG 27 16.954 -11.201 -7.184 214 HH11 ARG 27 HH11 ARG 27 17.467 -10.820 -3.614 215 HH12 ARG 27 HH12 ARG 27 19.105 -11.308 -3.719 216 HH21 ARG 27 HH21 ARG 27 19.105 -11.950 -7.210 217 HH22 ARG 27 HH22 ARG 27 20.039 -12.024 -5.763 218 H GLU 28 H GLU 28 14.643 -13.200 -2.614 219 HA GLU 28 HA GLU 28 12.852 -15.380 -3.549 220 HB2 GLU 28 HB2 GLU 28 15.686 -15.375 -2.471 221 HB3 GLU 28 HB3 GLU 28 14.826 -16.795 -3.023 222 HG2 GLU 28 HG2 GLU 28 14.557 -15.700 -5.279 223 HG3 GLU 28 HG3 GLU 28 15.608 -14.398 -4.718 224 H GLU 29 H GLU 29 14.409 -14.102 -0.590 225 HA GLU 29 HA GLU 29 13.717 -16.182 1.148 226 HB2 GLU 29 HB2 GLU 29 14.188 -13.201 1.566 227 HB3 GLU 29 HB3 GLU 29 14.027 -14.266 2.920 228 HG2 GLU 29 HG2 GLU 29 16.142 -14.581 0.762 229 HG3 GLU 29 HG3 GLU 29 16.327 -13.775 2.306 230 H ILE 30 H ILE 30 11.897 -13.350 0.258 231 HA ILE 30 HA ILE 30 9.600 -13.475 1.836 232 HB ILE 30 HB ILE 30 9.993 -13.005 -1.109 233 HG12 ILE 30 HG12 ILE 30 10.685 -11.403 0.836 234 HG13 ILE 30 HG13 ILE 30 9.944 -10.820 -0.626 235 HG21 ILE 30 HG21 ILE 30 7.738 -13.832 -1.153 236 HG22 ILE 30 HG22 ILE 30 7.276 -12.879 0.265 237 HG23 ILE 30 HG23 ILE 30 7.687 -12.080 -1.278 238 HD11 ILE 30 HD11 ILE 30 8.407 -11.291 1.978 239 HD12 ILE 30 HD12 ILE 30 9.102 -9.725 1.508 240 HD13 ILE 30 HD13 ILE 30 7.818 -10.433 0.535 241 H TRP 31 H TRP 31 10.211 -15.512 -1.088 242 HA TRP 31 HA TRP 31 7.763 -16.997 -0.726 243 HB2 TRP 31 HB2 TRP 31 10.167 -17.621 -2.450 244 HB3 TRP 31 HB3 TRP 31 8.564 -18.288 -2.641 245 HD1 TRP 31 HD1 TRP 31 10.701 -15.705 -3.969 246 HE1 TRP 31 HE1 TRP 31 9.487 -13.781 -5.099 247 HE3 TRP 31 HE3 TRP 31 5.921 -16.816 -2.492 248 HZ2 TRP 31 HZ2 TRP 31 6.758 -12.758 -5.253 249 HZ3 TRP 31 HZ3 TRP 31 4.024 -15.396 -3.247 250 HH2 TRP 31 HH2 TRP 31 4.430 -13.364 -4.605 251 H TYR 32 H TYR 32 11.157 -17.557 0.144 252 HA TYR 32 HA TYR 32 10.606 -20.366 0.755 253 HB2 TYR 32 HB2 TYR 32 13.195 -18.792 0.671 254 HB3 TYR 32 HB3 TYR 32 13.068 -20.538 0.855 255 HD1 TYR 32 HD1 TYR 32 11.307 -21.650 -0.965 256 HD2 TYR 32 HD2 TYR 32 13.770 -18.163 -1.525 257 HE1 TYR 32 HE1 TYR 32 11.125 -21.922 -3.403 258 HE2 TYR 32 HE2 TYR 32 13.505 -18.348 -3.968 259 HH TYR 32 HH TYR 32 12.611 -19.609 -5.750 260 H ASN 33 H ASN 33 10.165 -17.693 2.601 261 HA ASN 33 HA ASN 33 10.466 -19.271 5.116 262 HB2 ASN 33 HB2 ASN 33 10.778 -16.290 4.593 263 HB3 ASN 33 HB3 ASN 33 10.626 -16.993 6.184 264 HD21 ASN 33 HD22 ASN 33 12.651 -16.434 3.468 265 HD22 ASN 33 HD21 ASN 33 14.191 -16.852 4.209 266 H ARG 34 H ARG 34 8.299 -20.082 4.804 267 HA ARG 34 HA ARG 34 6.219 -18.845 3.511 268 HB2 ARG 34 HB2 ARG 34 6.264 -21.173 4.111 269 HB3 ARG 34 HB3 ARG 34 5.978 -20.793 5.819 270 HG2 ARG 34 HG2 ARG 34 3.829 -19.904 5.420 271 HG3 ARG 34 HG3 ARG 34 4.049 -19.861 3.668 272 HD2 ARG 34 HD2 ARG 34 4.131 -22.408 5.336 273 HD3 ARG 34 HD3 ARG 34 2.663 -21.734 4.611 274 HE ARG 34 HE ARG 34 4.498 -21.931 2.525 275 HH11 ARG 34 HH11 ARG 34 2.855 -24.203 4.709 276 HH12 ARG 34 HH12 ARG 34 2.907 -25.530 3.604 277 HH21 ARG 34 HH21 ARG 34 4.570 -23.696 1.044 278 HH22 ARG 34 HH22 ARG 34 3.892 -25.227 1.466 279 H GLU 35 H GLU 35 6.959 -18.394 7.007 280 HA GLU 35 HA GLU 35 4.459 -16.960 7.373 281 HB2 GLU 35 HB2 GLU 35 5.232 -16.535 9.633 282 HB3 GLU 35 HB3 GLU 35 5.393 -18.238 9.246 283 HG2 GLU 35 HG2 GLU 35 7.733 -16.272 9.171 284 HG3 GLU 35 HG3 GLU 35 7.251 -17.158 10.605 285 H ARG 36 H ARG 36 7.727 -16.138 6.413 286 HA ARG 36 HA ARG 36 7.363 -13.265 6.917 287 HB2 ARG 36 HB2 ARG 36 9.575 -14.836 5.595 288 HB3 ARG 36 HB3 ARG 36 9.557 -13.119 5.793 289 HG2 ARG 36 HG2 ARG 36 9.816 -15.236 7.938 290 HG3 ARG 36 HG3 ARG 36 10.893 -13.896 7.562 291 HD2 ARG 36 HD2 ARG 36 9.166 -12.288 8.417 292 HD3 ARG 36 HD3 ARG 36 8.155 -13.676 8.879 293 HE ARG 36 HE ARG 36 10.835 -13.794 9.977 294 HH11 ARG 36 HH11 ARG 36 7.546 -12.424 10.527 295 HH12 ARG 36 HH12 ARG 36 7.772 -12.305 12.232 296 HH21 ARG 36 HH21 ARG 36 11.082 -13.602 12.245 297 HH22 ARG 36 HH22 ARG 36 9.814 -12.972 13.227 298 H SER 37 H SER 37 6.662 -15.595 4.364 299 HA SER 37 HA SER 37 6.504 -13.601 2.295 300 HB2 SER 37 HB2 SER 37 4.398 -15.658 2.170 301 HB3 SER 37 HB3 SER 37 5.573 -15.167 0.968 302 HG SER 37 HG SER 37 7.130 -16.379 2.081 303 H GLU 38 H GLU 38 4.173 -14.856 4.739 304 HA GLU 38 HA GLU 38 1.899 -13.643 3.890 305 HB2 GLU 38 HB2 GLU 38 2.499 -15.361 5.822 306 HB3 GLU 38 HB3 GLU 38 2.452 -13.911 6.839 307 HG2 GLU 38 HG2 GLU 38 0.187 -13.421 5.893 308 HG3 GLU 38 HG3 GLU 38 0.243 -14.926 4.991 309 H GLU 39 H GLU 39 4.456 -12.097 5.830 310 HA GLU 39 HA GLU 39 3.087 -9.849 6.760 311 HB2 GLU 39 HB2 GLU 39 5.924 -9.603 5.777 312 HB3 GLU 39 HB3 GLU 39 5.226 -9.008 7.269 313 HG2 GLU 39 HG2 GLU 39 5.959 -11.883 6.694 314 HG3 GLU 39 HG3 GLU 39 6.946 -10.730 7.481 315 H LEU 40 H LEU 40 4.454 -10.544 3.611 316 HA LEU 40 HA LEU 40 4.424 -7.955 2.421 317 HB2 LEU 40 HB2 LEU 40 5.520 -10.049 1.516 318 HB3 LEU 40 HB3 LEU 40 3.921 -10.642 1.146 319 HG LEU 40 HG LEU 40 5.666 -8.911 -0.415 320 HD11 LEU 40 HD11 LEU 40 4.841 -11.064 -1.128 321 HD12 LEU 40 HD12 LEU 40 3.177 -10.456 -1.109 322 HD13 LEU 40 HD13 LEU 40 4.383 -9.778 -2.245 323 HD21 LEU 40 HD21 LEU 40 2.769 -8.009 -0.440 324 HD22 LEU 40 HD22 LEU 40 4.096 -7.091 0.334 325 HD23 LEU 40 HD23 LEU 40 4.130 -7.399 -1.379 326 H PHE 41 H PHE 41 2.076 -10.625 2.463 327 HA PHE 41 HA PHE 41 0.091 -9.329 0.918 328 HB2 PHE 41 HB2 PHE 41 -0.148 -11.707 2.793 329 HB3 PHE 41 HB3 PHE 41 -1.306 -11.243 1.552 330 HD1 PHE 41 HD1 PHE 41 2.108 -12.472 2.178 331 HD2 PHE 41 HD2 PHE 41 -0.749 -11.464 -0.851 332 HE1 PHE 41 HE1 PHE 41 3.530 -13.618 0.469 333 HE2 PHE 41 HE2 PHE 41 0.664 -12.560 -2.559 334 HZ PHE 41 HZ PHE 41 2.798 -13.670 -1.906 335 H TRP 42 H TRP 42 0.592 -9.695 4.439 336 HA TRP 42 HA TRP 42 -1.777 -8.403 5.282 337 HB2 TRP 42 HB2 TRP 42 0.969 -8.769 6.477 338 HB3 TRP 42 HB3 TRP 42 -0.199 -7.744 7.280 339 HD1 TRP 42 HD1 TRP 42 0.774 -11.280 7.038 340 HE1 TRP 42 HE1 TRP 42 -0.946 -12.845 8.075 341 HE3 TRP 42 HE3 TRP 42 -3.099 -7.962 7.485 342 HZ2 TRP 42 HZ2 TRP 42 -3.751 -12.699 8.892 343 HZ3 TRP 42 HZ3 TRP 42 -5.309 -8.717 8.315 344 HH2 TRP 42 HH2 TRP 42 -5.651 -11.079 9.013 345 H GLU 43 H GLU 43 1.288 -6.879 4.017 346 HA GLU 43 HA GLU 43 0.523 -4.259 4.874 347 HB2 GLU 43 HB2 GLU 43 2.860 -5.008 4.280 348 HB3 GLU 43 HB3 GLU 43 2.331 -5.187 2.605 349 HG2 GLU 43 HG2 GLU 43 3.415 -3.196 2.586 350 HG3 GLU 43 HG3 GLU 43 1.739 -2.693 2.637 351 H VAL 44 H VAL 44 -0.005 -6.138 1.785 352 HA VAL 44 HA VAL 44 -1.032 -3.808 0.467 353 HB VAL 44 HB VAL 44 -1.765 -5.486 -1.220 354 HG11 VAL 44 HG11 VAL 44 0.576 -5.888 -1.980 355 HG12 VAL 44 HG12 VAL 44 0.455 -4.269 -1.270 356 HG13 VAL 44 HG13 VAL 44 1.167 -5.621 -0.340 357 HG21 VAL 44 HG21 VAL 44 -0.836 -7.720 -1.224 358 HG22 VAL 44 HG22 VAL 44 -0.123 -7.425 0.361 359 HG23 VAL 44 HG23 VAL 44 -1.908 -7.537 0.154 360 H MET 45 H MET 45 -2.528 -6.607 2.044 361 HA MET 45 HA MET 45 -5.257 -5.875 1.659 362 HB2 MET 45 HB2 MET 45 -3.798 -7.320 3.916 363 HB3 MET 45 HB3 MET 45 -5.542 -7.196 3.801 364 HG2 MET 45 HG2 MET 45 -3.819 -8.480 1.642 365 HG3 MET 45 HG3 MET 45 -4.518 -9.324 3.010 366 HE1 MET 45 HE1 MET 45 -5.624 -7.005 -0.151 367 HE2 MET 45 HE2 MET 45 -4.900 -8.561 -0.629 368 HE3 MET 45 HE3 MET 45 -6.626 -8.253 -0.914 369 H ASP 46 H ASP 46 -2.847 -4.913 4.193 370 HA ASP 46 HA ASP 46 -4.638 -3.332 5.717 371 HB2 ASP 46 HB2 ASP 46 -2.423 -3.913 6.548 372 HB3 ASP 46 HB3 ASP 46 -1.660 -2.934 5.306 373 H GLU 47 H GLU 47 -2.590 -2.470 2.879 374 HA GLU 47 HA GLU 47 -3.289 0.261 2.745 375 HB2 GLU 47 HB2 GLU 47 -1.278 -0.532 1.809 376 HB3 GLU 47 HB3 GLU 47 -2.046 -1.894 1.034 377 HG2 GLU 47 HG2 GLU 47 -1.292 -0.406 -0.571 378 HG3 GLU 47 HG3 GLU 47 -3.040 -0.555 -0.636 379 H VAL 48 H VAL 48 -5.255 -2.458 2.266 380 HA VAL 48 HA VAL 48 -7.186 -0.989 0.521 381 HB VAL 48 HB VAL 48 -6.623 -3.973 0.845 382 HG11 VAL 48 HG11 VAL 48 -8.283 -4.332 -0.993 383 HG12 VAL 48 HG12 VAL 48 -9.024 -3.812 0.514 384 HG13 VAL 48 HG13 VAL 48 -8.806 -2.640 -0.806 385 HG21 VAL 48 HG21 VAL 48 -5.073 -2.676 -0.703 386 HG22 VAL 48 HG22 VAL 48 -5.992 -3.963 -1.477 387 HG23 VAL 48 HG23 VAL 48 -6.488 -2.263 -1.675 388 H HIS 49 H HIS 49 -6.513 -1.799 3.733 389 HA HIS 49 HA HIS 49 -8.647 -3.190 4.580 390 HB2 HIS 49 HB2 HIS 49 -6.596 -2.582 5.854 391 HB3 HIS 49 HB3 HIS 49 -7.407 -1.083 6.325 392 HD1 HIS 49 HD1 HIS 49 -8.941 -1.374 8.487 393 HD2 HIS 49 HD2 HIS 49 -8.080 -4.924 6.397 394 HE1 HIS 49 HE1 HIS 49 -9.975 -3.268 9.842 395 H GLU 50 H GLU 50 -8.851 0.296 3.904 396 HA GLU 50 HA GLU 50 -11.248 0.723 5.392 397 HB2 GLU 50 HB2 GLU 50 -10.182 2.118 2.896 398 HB3 GLU 50 HB3 GLU 50 -11.536 2.707 3.871 399 HG2 GLU 50 HG2 GLU 50 -10.027 2.837 5.862 400 HG3 GLU 50 HG3 GLU 50 -8.663 2.386 4.836 401 H GLU 51 H GLU 51 -10.793 -1.077 2.465 402 HA GLU 51 HA GLU 51 -13.744 -1.319 2.234 403 HB2 GLU 51 HB2 GLU 51 -11.624 -1.502 0.089 404 HB3 GLU 51 HB3 GLU 51 -13.269 -2.117 -0.087 405 HG2 GLU 51 HG2 GLU 51 -14.155 0.153 0.543 406 HG3 GLU 51 HG3 GLU 51 -12.515 0.752 0.578 407 H GLU 52 H GLU 52 -10.573 -3.011 2.442 408 HA GLU 52 HA GLU 52 -11.524 -5.651 2.262 409 HB2 GLU 52 HB2 GLU 52 -9.095 -4.310 2.912 410 HB3 GLU 52 HB3 GLU 52 -9.400 -5.439 4.227 411 HG2 GLU 52 HG2 GLU 52 -9.421 -6.119 1.254 412 HG3 GLU 52 HG3 GLU 52 -8.005 -6.208 2.284 413 H GLU 53 H GLU 53 -11.864 -3.285 4.946 414 HA GLU 53 HA GLU 53 -12.510 -5.067 7.000 415 HB2 GLU 53 HB2 GLU 53 -13.650 -3.205 8.056 416 HB3 GLU 53 HB3 GLU 53 -12.126 -2.685 7.356 417 HG2 GLU 53 HG2 GLU 53 -13.327 -1.685 5.429 418 HG3 GLU 53 HG3 GLU 53 -14.860 -2.295 6.047 419 H PHE 54 H PHE 54 -14.342 -4.594 4.095 420 HA PHE 54 HA PHE 54 -16.567 -6.149 5.304 421 HB2 PHE 54 HB2 PHE 54 -18.160 -5.060 3.833 422 HB3 PHE 54 HB3 PHE 54 -17.446 -3.969 4.986 423 HD1 PHE 54 HD1 PHE 54 -17.260 -5.008 1.366 424 HD2 PHE 54 HD2 PHE 54 -16.526 -1.903 4.277 425 HE1 PHE 54 HE1 PHE 54 -16.800 -3.396 -0.458 426 HE2 PHE 54 HE2 PHE 54 -16.099 -0.296 2.448 427 HZ PHE 54 HZ PHE 54 -16.240 -1.036 0.074 428 H ALA 55 H ALA 55 -13.953 -6.652 3.655 429 HA ALA 55 HA ALA 55 -15.249 -8.746 1.988 430 HB1 ALA 55 HB1 ALA 55 -12.693 -7.260 1.255 431 HB2 ALA 55 HB2 ALA 55 -13.476 -8.556 0.330 432 HB3 ALA 55 HB3 ALA 55 -14.283 -6.987 0.505 433 H VAL 56 H VAL 56 -13.305 -8.114 4.663 434 HA VAL 56 HA VAL 56 -11.916 -10.622 4.601 435 HB VAL 56 HB VAL 56 -11.014 -8.746 5.767 436 HG11 VAL 56 HG11 VAL 56 -13.135 -7.697 6.615 437 HG12 VAL 56 HG12 VAL 56 -13.185 -8.934 7.879 438 HG13 VAL 56 HG13 VAL 56 -11.820 -7.805 7.792 439 HG21 VAL 56 HG21 VAL 56 -10.332 -9.934 7.786 440 HG22 VAL 56 HG22 VAL 56 -11.740 -11.020 7.637 441 HG23 VAL 56 HG23 VAL 56 -10.464 -11.049 6.406 442 H GLU 57 H GLU 57 -13.853 -11.714 3.769 443 HA GLU 57 HA GLU 57 -15.302 -13.091 5.940 444 HB2 GLU 57 HB2 GLU 57 -17.464 -12.580 4.797 445 HB3 GLU 57 HB3 GLU 57 -16.728 -11.221 5.615 446 HG2 GLU 57 HG2 GLU 57 -16.169 -10.101 3.665 447 HG3 GLU 57 HG3 GLU 57 -16.136 -11.558 2.679 448 H GLY 58 H GLY 58 -13.206 -13.822 3.994 449 HA2 GLY 58 HA2 GLY 58 -14.173 -16.336 3.151 450 HA3 GLY 58 HA3 GLY 58 -14.129 -15.258 1.748 451 HA PRO 59 HA PRO 59 -9.895 -17.137 2.669 452 HB2 PRO 59 HB2 PRO 59 -9.558 -18.589 0.374 453 HB3 PRO 59 HB3 PRO 59 -10.446 -19.186 1.805 454 HG2 PRO 59 HG2 PRO 59 -11.607 -17.884 -0.681 455 HG3 PRO 59 HG3 PRO 59 -12.104 -19.408 0.126 456 HD2 PRO 59 HD2 PRO 59 -13.402 -17.089 0.578 457 HD3 PRO 59 HD3 PRO 59 -13.120 -18.276 1.889 458 H LEU 60 H LEU 60 -7.886 -16.974 1.192 459 HA LEU 60 HA LEU 60 -8.068 -14.828 -0.841 460 HB2 LEU 60 HB2 LEU 60 -7.063 -14.018 1.433 461 HB3 LEU 60 HB3 LEU 60 -5.729 -15.126 1.065 462 HG LEU 60 HG LEU 60 -5.278 -13.850 -1.047 463 HD11 LEU 60 HD11 LEU 60 -7.379 -11.916 0.044 464 HD12 LEU 60 HD12 LEU 60 -6.262 -11.568 -1.288 465 HD13 LEU 60 HD13 LEU 60 -7.479 -12.828 -1.483 466 HD21 LEU 60 HD21 LEU 60 -4.025 -13.366 1.015 467 HD22 LEU 60 HD22 LEU 60 -4.255 -11.906 0.043 468 HD23 LEU 60 HD23 LEU 60 -5.249 -12.168 1.489 469 H TRP 61 H TRP 61 -6.520 -15.079 -2.486 470 HA TRP 61 HA TRP 61 -5.180 -17.721 -2.774 471 HB2 TRP 61 HB2 TRP 61 -7.133 -16.183 -4.489 472 HB3 TRP 61 HB3 TRP 61 -6.244 -17.459 -5.205 473 HD1 TRP 61 HD1 TRP 61 -9.110 -16.586 -2.914 474 HE1 TRP 61 HE1 TRP 61 -10.580 -18.665 -2.423 475 HE3 TRP 61 HE3 TRP 61 -6.182 -20.124 -5.066 476 HZ2 TRP 61 HZ2 TRP 61 -10.477 -21.523 -2.955 477 HZ3 TRP 61 HZ3 TRP 61 -6.862 -22.535 -5.084 478 HH2 TRP 61 HH2 TRP 61 -9.002 -23.233 -4.019 479 H ILE 62 H ILE 62 -3.390 -17.544 -4.391 480 HA ILE 62 HA ILE 62 -2.581 -14.745 -4.985 481 HB ILE 62 HB ILE 62 -0.594 -16.787 -4.026 482 HG12 ILE 62 HG12 ILE 62 -2.122 -16.746 -2.126 483 HG13 ILE 62 HG13 ILE 62 -0.537 -16.108 -1.783 484 HG21 ILE 62 HG21 ILE 62 -0.587 -13.735 -4.081 485 HG22 ILE 62 HG22 ILE 62 0.701 -14.757 -3.398 486 HG23 ILE 62 HG23 ILE 62 0.324 -14.835 -5.116 487 HD11 ILE 62 HD11 ILE 62 -2.214 -14.821 -0.606 488 HD12 ILE 62 HD12 ILE 62 -1.426 -13.796 -1.798 489 HD13 ILE 62 HD13 ILE 62 -3.052 -14.417 -2.103 490 H GLN 63 H GLN 63 -1.498 -14.485 -6.888 491 HA GLN 63 HA GLN 63 -0.226 -16.779 -8.246 492 HB2 GLN 63 HB2 GLN 63 -2.401 -16.540 -9.334 493 HB3 GLN 63 HB3 GLN 63 -2.164 -14.809 -9.560 494 HG2 GLN 63 HG2 GLN 63 -0.334 -15.222 -11.134 495 HG3 GLN 63 HG3 GLN 63 -0.445 -16.968 -10.863 496 HE21 GLN 63 HE22 GLN 63 -0.994 -14.963 -13.278 497 HE22 GLN 63 HE21 GLN 63 -2.515 -15.556 -13.902 498 H VAL 64 H VAL 64 1.643 -15.927 -9.631 499 HA VAL 64 HA VAL 64 2.437 -13.142 -9.006 500 HB VAL 64 HB VAL 64 3.017 -14.579 -7.062 501 HG11 VAL 64 HG11 VAL 64 4.999 -15.973 -8.907 502 HG12 VAL 64 HG12 VAL 64 4.827 -16.193 -7.154 503 HG13 VAL 64 HG13 VAL 64 3.526 -16.709 -8.234 504 HG21 VAL 64 HG21 VAL 64 4.276 -12.559 -7.410 505 HG22 VAL 64 HG22 VAL 64 5.337 -13.851 -6.845 506 HG23 VAL 64 HG23 VAL 64 5.391 -13.389 -8.529 507 H GLN 65 H GLN 65 4.275 -12.418 -10.273 508 HA GLN 65 HA GLN 65 5.430 -14.280 -12.276 509 HB2 GLN 65 HB2 GLN 65 4.582 -11.380 -12.742 510 HB3 GLN 65 HB3 GLN 65 5.601 -12.301 -13.833 511 HG2 GLN 65 HG2 GLN 65 3.850 -13.339 -14.819 512 HG3 GLN 65 HG3 GLN 65 3.092 -13.700 -13.274 513 HE21 GLN 65 HE22 GLN 65 1.929 -11.892 -12.125 514 HE22 GLN 65 HE21 GLN 65 1.078 -10.734 -13.119 515 H ALA 66 H ALA 66 7.682 -13.845 -12.424 516 HA ALA 66 HA ALA 66 8.739 -11.646 -10.697 517 HB1 ALA 66 HB1 ALA 66 10.825 -12.879 -10.563 518 HB2 ALA 66 HB2 ALA 66 9.493 -13.858 -9.934 519 HB3 ALA 66 HB3 ALA 66 10.153 -14.199 -11.555 520 H LEU 67 H LEU 67 9.808 -10.081 -11.701 521 HA LEU 67 HA LEU 67 9.974 -10.038 -14.668 522 HB2 LEU 67 HB2 LEU 67 9.123 -7.879 -12.671 523 HB3 LEU 67 HB3 LEU 67 9.365 -7.623 -14.375 524 HG LEU 67 HG LEU 67 7.586 -9.717 -14.492 525 HD11 LEU 67 HD11 LEU 67 6.806 -8.136 -12.069 526 HD12 LEU 67 HD12 LEU 67 5.779 -9.311 -12.944 527 HD13 LEU 67 HD13 LEU 67 7.243 -9.864 -12.139 528 HD21 LEU 67 HD21 LEU 67 6.873 -6.765 -14.142 529 HD22 LEU 67 HD22 LEU 67 7.377 -7.517 -15.676 530 HD23 LEU 67 HD23 LEU 67 5.849 -7.989 -14.914 531 H ASP 68 H ASP 68 11.376 -7.796 -15.083 532 HA ASP 68 HA ASP 68 13.917 -8.841 -14.772 533 HB2 ASP 68 HB2 ASP 68 13.176 -7.264 -16.558 534 HB3 ASP 68 HB3 ASP 68 13.290 -5.938 -15.392 535 H LYS 69 H LYS 69 12.463 -6.303 -12.716 536 HA LYS 69 HA LYS 69 14.644 -6.723 -10.768 537 HB2 LYS 69 HB2 LYS 69 13.779 -3.992 -11.693 538 HB3 LYS 69 HB3 LYS 69 14.868 -4.287 -10.347 539 HG2 LYS 69 HG2 LYS 69 15.462 -5.037 -13.220 540 HG3 LYS 69 HG3 LYS 69 15.992 -3.576 -12.428 541 HD2 LYS 69 HD2 LYS 69 17.294 -4.844 -10.782 542 HD3 LYS 69 HD3 LYS 69 16.755 -6.371 -11.443 543 HE2 LYS 69 HE2 LYS 69 18.332 -4.290 -13.025 544 HE3 LYS 69 HE3 LYS 69 19.057 -5.651 -12.164 545 HZ1 LYS 69 HZ1 LYS 69 18.742 -6.195 -14.480 546 HZ2 LYS 69 HZ2 LYS 69 17.756 -7.150 -13.591 547 HZ3 LYS 69 HZ3 LYS 69 17.131 -5.884 -14.428 548 H GLY 70 H GLY 70 11.837 -7.617 -10.844 549 HA2 GLY 70 HA2 GLY 70 10.942 -6.848 -8.238 550 HA3 GLY 70 HA3 GLY 70 10.062 -5.936 -9.458 551 H LEU 71 H LEU 71 8.329 -7.314 -8.308 552 HA LEU 71 HA LEU 71 7.725 -9.648 -10.074 553 HB2 LEU 71 HB2 LEU 71 7.226 -9.582 -7.075 554 HB3 LEU 71 HB3 LEU 71 6.739 -10.845 -8.183 555 HG LEU 71 HG LEU 71 9.519 -10.661 -8.612 556 HD11 LEU 71 HD11 LEU 71 10.499 -10.739 -6.348 557 HD12 LEU 71 HD12 LEU 71 9.664 -9.186 -6.618 558 HD13 LEU 71 HD13 LEU 71 8.900 -10.450 -5.633 559 HD21 LEU 71 HD21 LEU 71 9.695 -12.815 -7.646 560 HD22 LEU 71 HD22 LEU 71 8.211 -12.600 -6.711 561 HD23 LEU 71 HD23 LEU 71 8.120 -12.730 -8.468 562 H GLU 72 H GLU 72 5.556 -9.786 -10.582 563 HA GLU 72 HA GLU 72 3.687 -7.740 -9.457 564 HB2 GLU 72 HB2 GLU 72 3.482 -9.441 -11.970 565 HB3 GLU 72 HB3 GLU 72 2.052 -8.853 -11.137 566 HG2 GLU 72 HG2 GLU 72 2.862 -6.507 -11.366 567 HG3 GLU 72 HG3 GLU 72 4.197 -7.105 -12.353 568 H ILE 73 H ILE 73 2.092 -8.463 -8.125 569 HA ILE 73 HA ILE 73 1.838 -11.381 -7.739 570 HB ILE 73 HB ILE 73 1.678 -9.268 -5.591 571 HG12 ILE 73 HG12 ILE 73 3.584 -10.200 -4.417 572 HG13 ILE 73 HG13 ILE 73 3.976 -11.276 -5.673 573 HG21 ILE 73 HG21 ILE 73 1.598 -11.226 -4.040 574 HG22 ILE 73 HG22 ILE 73 0.249 -11.220 -5.173 575 HG23 ILE 73 HG23 ILE 73 1.620 -12.317 -5.446 576 HD11 ILE 73 HD11 ILE 73 5.357 -9.143 -5.417 577 HD12 ILE 73 HD12 ILE 73 4.801 -9.513 -7.046 578 HD13 ILE 73 HD13 ILE 73 3.972 -8.257 -6.089 579 H ILE 74 H ILE 74 -0.257 -11.968 -8.011 580 HA ILE 74 HA ILE 74 -2.451 -9.921 -8.050 581 HB ILE 74 HB ILE 74 -2.060 -12.562 -9.522 582 HG12 ILE 74 HG12 ILE 74 -2.542 -11.346 -11.568 583 HG13 ILE 74 HG13 ILE 74 -2.767 -9.844 -10.702 584 HG21 ILE 74 HG21 ILE 74 -4.359 -12.542 -8.702 585 HG22 ILE 74 HG22 ILE 74 -4.597 -10.885 -9.308 586 HG23 ILE 74 HG23 ILE 74 -4.367 -12.241 -10.433 587 HD11 ILE 74 HD11 ILE 74 -0.124 -11.353 -10.824 588 HD12 ILE 74 HD12 ILE 74 -0.614 -10.070 -11.964 589 HD13 ILE 74 HD13 ILE 74 -0.387 -9.678 -10.260 590 H VAL 75 H VAL 75 -4.181 -10.401 -6.587 591 HA VAL 75 HA VAL 75 -4.131 -13.036 -5.365 592 HB VAL 75 HB VAL 75 -4.688 -12.156 -3.120 593 HG11 VAL 75 HG11 VAL 75 -2.409 -12.860 -3.691 594 HG12 VAL 75 HG12 VAL 75 -1.958 -11.193 -4.099 595 HG13 VAL 75 HG13 VAL 75 -2.426 -11.600 -2.440 596 HG21 VAL 75 HG21 VAL 75 -4.041 -9.907 -2.512 597 HG22 VAL 75 HG22 VAL 75 -3.656 -9.525 -4.202 598 HG23 VAL 75 HG23 VAL 75 -5.351 -9.872 -3.731 599 H THR 76 H THR 76 -6.199 -13.824 -4.721 600 HA THR 76 HA THR 76 -8.449 -12.423 -6.061 601 HB THR 76 HB THR 76 -8.885 -14.196 -7.486 602 HG1 THR 76 HG1 THR 76 -8.079 -16.192 -7.450 603 HG21 THR 76 HG21 THR 76 -6.727 -12.959 -8.169 604 HG22 THR 76 HG22 THR 76 -5.823 -14.331 -7.460 605 HG23 THR 76 HG23 THR 76 -6.900 -14.585 -8.845 606 H LYS 77 H LYS 77 -10.602 -13.683 -5.668 607 HA LYS 77 HA LYS 77 -10.531 -15.299 -3.201 608 HB2 LYS 77 HB2 LYS 77 -12.560 -13.098 -3.687 609 HB3 LYS 77 HB3 LYS 77 -12.535 -14.246 -2.336 610 HG2 LYS 77 HG2 LYS 77 -10.154 -13.404 -1.836 611 HG3 LYS 77 HG3 LYS 77 -10.506 -12.136 -2.997 612 HD2 LYS 77 HD2 LYS 77 -12.664 -11.728 -1.510 613 HD3 LYS 77 HD3 LYS 77 -11.831 -12.865 -0.423 614 HE2 LYS 77 HE2 LYS 77 -9.839 -10.990 -0.973 615 HE3 LYS 77 HE3 LYS 77 -11.266 -9.977 -1.062 616 HZ1 LYS 77 HZ1 LYS 77 -10.430 -11.578 1.301 617 HZ2 LYS 77 HZ2 LYS 77 -10.500 -9.933 1.186 618 HZ3 LYS 77 HZ3 LYS 77 -11.874 -10.790 1.209 619 H ALA 78 H ALA 78 -12.403 -16.538 -2.888 620 HA ALA 78 HA ALA 78 -13.219 -17.936 -5.337 621 HB1 ALA 78 HB1 ALA 78 -14.308 -19.512 -3.774 622 HB2 ALA 78 HB2 ALA 78 -12.626 -19.208 -3.325 623 HB3 ALA 78 HB3 ALA 78 -13.954 -18.437 -2.408 624 H GLN 79 H GLN 79 -14.653 -15.478 -3.266 625 HA GLN 79 HA GLN 79 -17.387 -16.071 -3.613 626 HB2 GLN 79 HB2 GLN 79 -15.956 -13.424 -3.137 627 HB3 GLN 79 HB3 GLN 79 -17.708 -13.624 -3.036 628 HG2 GLN 79 HG2 GLN 79 -17.448 -15.292 -1.234 629 HG3 GLN 79 HG3 GLN 79 -15.696 -15.119 -1.295 630 HE21 GLN 79 HE22 GLN 79 -18.738 -13.455 -0.409 631 HE22 GLN 79 HE21 GLN 79 -17.986 -12.227 0.584 632 H LEU 80 H LEU 80 -15.153 -14.648 -5.908 633 HA LEU 80 HA LEU 80 -16.954 -13.432 -7.726 634 HB2 LEU 80 HB2 LEU 80 -14.491 -13.226 -7.790 635 HB3 LEU 80 HB3 LEU 80 -14.345 -14.949 -8.158 636 HG LEU 80 HG LEU 80 -15.432 -14.603 -10.358 637 HD11 LEU 80 HD11 LEU 80 -15.410 -11.633 -9.626 638 HD12 LEU 80 HD12 LEU 80 -15.774 -12.312 -11.225 639 HD13 LEU 80 HD13 LEU 80 -16.858 -12.639 -9.878 640 HD21 LEU 80 HD21 LEU 80 -12.994 -14.486 -10.141 641 HD22 LEU 80 HD22 LEU 80 -13.569 -13.388 -11.400 642 HD23 LEU 80 HD23 LEU 80 -13.081 -12.743 -9.815 643 H SER 81 H SER 81 -16.350 -16.833 -7.025 644 HA SER 81 HA SER 81 -17.641 -17.683 -9.561 645 HB2 SER 81 HB2 SER 81 -15.175 -18.842 -8.223 646 HB3 SER 81 HB3 SER 81 -15.827 -19.257 -9.816 647 HG SER 81 HG SER 81 -14.037 -17.773 -9.916 648 H LYS 82 H LYS 82 -18.987 -17.578 -6.922 649 HA LYS 82 HA LYS 82 -19.147 -20.163 -5.730 650 HB2 LYS 82 HB2 LYS 82 -21.239 -17.967 -6.033 651 HB3 LYS 82 HB3 LYS 82 -21.516 -19.465 -5.142 652 HG2 LYS 82 HG2 LYS 82 -19.550 -18.950 -3.679 653 HG3 LYS 82 HG3 LYS 82 -19.406 -17.369 -4.485 654 HD2 LYS 82 HD2 LYS 82 -21.692 -16.766 -3.769 655 HD3 LYS 82 HD3 LYS 82 -21.916 -18.377 -3.062 656 HE2 LYS 82 HE2 LYS 82 -20.007 -17.922 -1.493 657 HE3 LYS 82 HE3 LYS 82 -19.886 -16.286 -2.153 658 HZ1 LYS 82 HZ1 LYS 82 -22.268 -17.404 -0.763 659 HZ2 LYS 82 HZ2 LYS 82 -21.211 -16.355 -0.111 660 HZ3 LYS 82 HZ3 LYS 82 -22.158 -15.876 -1.354 661 H ASP 83 H ASP 83 -20.567 -18.929 -8.727 662 HA ASP 83 HA ASP 83 -21.188 -21.716 -9.491 663 HB2 ASP 83 HB2 ASP 83 -23.311 -20.869 -8.565 664 HB3 ASP 83 HB3 ASP 83 -23.255 -19.499 -9.669 665 H LEU 84 H LEU 84 -21.026 -18.263 -10.509 666 HA LEU 84 HA LEU 84 -19.639 -17.270 -11.899 667 HB2 LEU 84 HB2 LEU 84 -18.034 -19.098 -11.309 668 HB3 LEU 84 HB3 LEU 84 -18.579 -19.987 -12.725 669 HG LEU 84 HG LEU 84 -17.762 -18.229 -14.229 670 HD11 LEU 84 HD11 LEU 84 -16.293 -16.411 -13.349 671 HD12 LEU 84 HD12 LEU 84 -17.974 -16.198 -12.861 672 HD13 LEU 84 HD13 LEU 84 -16.781 -16.824 -11.696 673 HD21 LEU 84 HD21 LEU 84 -15.695 -19.113 -12.186 674 HD22 LEU 84 HD22 LEU 84 -16.299 -20.088 -13.548 675 HD23 LEU 84 HD23 LEU 84 -15.369 -18.609 -13.860 676 H ASP 85 H ASP 85 -21.506 -19.928 -13.211 677 HA ASP 85 HA ASP 85 -21.769 -18.860 -15.891 678 HB2 ASP 85 HB2 ASP 85 -22.329 -21.188 -15.300 679 HB3 ASP 85 HB3 ASP 85 -23.652 -20.617 -14.279 680 H LYS 86 H LYS 86 -23.039 -17.854 -12.799 681 HA LYS 86 HA LYS 86 -25.402 -16.477 -13.724 682 HB2 LYS 86 HB2 LYS 86 -23.679 -15.933 -11.281 683 HB3 LYS 86 HB3 LYS 86 -25.254 -15.217 -11.616 684 HG2 LYS 86 HG2 LYS 86 -24.641 -18.133 -11.049 685 HG3 LYS 86 HG3 LYS 86 -25.545 -16.970 -10.086 686 HD2 LYS 86 HD2 LYS 86 -27.322 -16.889 -11.837 687 HD3 LYS 86 HD3 LYS 86 -26.460 -18.187 -12.711 688 HE2 LYS 86 HE2 LYS 86 -26.628 -19.663 -10.758 689 HE3 LYS 86 HE3 LYS 86 -27.409 -18.381 -9.825 690 HZ1 LYS 86 HZ1 LYS 86 -28.541 -19.671 -12.253 691 HZ2 LYS 86 HZ2 LYS 86 -29.029 -19.945 -10.721 692 HZ3 LYS 86 HZ3 LYS 86 -29.274 -18.478 -11.398 693 H LEU 87 H LEU 87 -25.700 -14.167 -13.870 694 HA LEU 87 HA LEU 87 -23.402 -12.741 -15.084 695 HB2 LEU 87 HB2 LEU 87 -24.566 -14.307 -16.672 696 HB3 LEU 87 HB3 LEU 87 -25.986 -13.268 -16.533 697 HG LEU 87 HG LEU 87 -24.758 -11.381 -17.518 698 HD11 LEU 87 HD11 LEU 87 -22.315 -13.217 -17.411 699 HD12 LEU 87 HD12 LEU 87 -22.404 -11.739 -18.404 700 HD13 LEU 87 HD13 LEU 87 -22.474 -11.620 -16.653 701 HD21 LEU 87 HD21 LEU 87 -24.184 -14.002 -18.925 702 HD22 LEU 87 HD22 LEU 87 -25.735 -13.141 -18.962 703 HD23 LEU 87 HD23 LEU 87 -24.301 -12.402 -19.715 704 H VAL 88 H VAL 88 -23.870 -10.449 -15.418 705 HA VAL 88 HA VAL 88 -25.662 -9.200 -13.552 706 HB VAL 88 HB VAL 88 -25.007 -7.119 -14.680 707 HG11 VAL 88 HG11 VAL 88 -22.654 -7.154 -14.154 708 HG12 VAL 88 HG12 VAL 88 -23.532 -8.128 -12.963 709 HG13 VAL 88 HG13 VAL 88 -22.590 -8.923 -14.245 710 HG21 VAL 88 HG21 VAL 88 -24.939 -7.878 -17.005 711 HG22 VAL 88 HG22 VAL 88 -23.435 -7.078 -16.536 712 HG23 VAL 88 HG23 VAL 88 -23.483 -8.848 -16.666 713 HA PRO 89 HA PRO 89 -29.523 -8.966 -15.748 714 HB2 PRO 89 HB2 PRO 89 -29.387 -5.972 -15.443 715 HB3 PRO 89 HB3 PRO 89 -30.717 -7.098 -15.021 716 HG2 PRO 89 HG2 PRO 89 -29.114 -6.058 -13.107 717 HG3 PRO 89 HG3 PRO 89 -29.654 -7.768 -13.028 718 HD2 PRO 89 HD2 PRO 89 -26.990 -6.691 -13.909 719 HD3 PRO 89 HD3 PRO 89 -27.370 -8.149 -12.966 720 H ARG 90 H ARG 90 -30.562 -8.206 -17.734 721 HA ARG 90 HA ARG 90 -28.921 -6.805 -19.725 722 HB2 ARG 90 HB2 ARG 90 -28.346 -8.877 -20.451 723 HB3 ARG 90 HB3 ARG 90 -29.679 -9.672 -19.649 724 HG2 ARG 90 HG2 ARG 90 -29.898 -9.983 -21.997 725 HG3 ARG 90 HG3 ARG 90 -31.229 -9.042 -21.321 726 HD2 ARG 90 HD2 ARG 90 -30.358 -8.380 -23.629 727 HD3 ARG 90 HD3 ARG 90 -30.605 -7.090 -22.490 728 HE ARG 90 HE ARG 90 -28.005 -8.251 -23.357 729 HH11 ARG 90 HH11 ARG 90 -29.672 -5.633 -21.576 730 HH12 ARG 90 HH12 ARG 90 -28.367 -4.507 -21.773 731 HH21 ARG 90 HH21 ARG 90 -26.236 -6.803 -23.471 732 HH22 ARG 90 HH22 ARG 90 -26.342 -5.217 -22.792 Start of MODEL 16 1 H1 MET 1 H1 MET 1 6.318 0.248 -3.136 2 H2 MET 1 H2 MET 1 5.810 1.327 -4.276 3 H3 MET 1 H3 MET 1 4.855 1.005 -2.990 4 HA MET 1 HA MET 1 5.569 -0.791 -5.195 5 HB2 MET 1 HB2 MET 1 4.283 -2.570 -4.250 6 HB3 MET 1 HB3 MET 1 5.540 -2.106 -3.135 7 HG2 MET 1 HG2 MET 1 3.727 -0.734 -1.901 8 HG3 MET 1 HG3 MET 1 2.558 -1.583 -2.902 9 HE1 MET 1 HE1 MET 1 4.240 -4.483 -2.994 10 HE2 MET 1 HE2 MET 1 3.264 -5.310 -1.765 11 HE3 MET 1 HE3 MET 1 2.474 -4.244 -2.949 12 H GLU 2 H GLU 2 3.531 -1.722 -6.271 13 HA GLU 2 HA GLU 2 2.018 0.706 -7.104 14 HB2 GLU 2 HB2 GLU 2 3.879 -1.283 -8.374 15 HB3 GLU 2 HB3 GLU 2 2.528 -0.823 -9.352 16 HG2 GLU 2 HG2 GLU 2 4.439 0.588 -9.831 17 HG3 GLU 2 HG3 GLU 2 3.114 1.543 -9.176 18 H ILE 3 H ILE 3 0.254 -0.026 -5.699 19 HA ILE 3 HA ILE 3 -1.050 -2.571 -5.952 20 HB ILE 3 HB ILE 3 -2.255 0.004 -4.955 21 HG12 ILE 3 HG12 ILE 3 -0.200 -0.241 -3.705 22 HG13 ILE 3 HG13 ILE 3 -1.597 -0.619 -2.733 23 HG21 ILE 3 HG21 ILE 3 -3.545 -1.585 -3.453 24 HG22 ILE 3 HG22 ILE 3 -3.954 -1.689 -5.155 25 HG23 ILE 3 HG23 ILE 3 -2.915 -2.931 -4.436 26 HD11 ILE 3 HD11 ILE 3 0.154 -2.110 -2.133 27 HD12 ILE 3 HD12 ILE 3 -1.113 -3.056 -2.928 28 HD13 ILE 3 HD13 ILE 3 0.375 -2.633 -3.817 29 H GLU 4 H GLU 4 -3.049 -3.087 -7.121 30 HA GLU 4 HA GLU 4 -4.302 -1.002 -8.797 31 HB2 GLU 4 HB2 GLU 4 -2.753 -2.395 -10.193 32 HB3 GLU 4 HB3 GLU 4 -3.561 -3.826 -9.591 33 HG2 GLU 4 HG2 GLU 4 -4.286 -3.240 -11.780 34 HG3 GLU 4 HG3 GLU 4 -5.644 -3.145 -10.687 35 H ARG 5 H ARG 5 -6.532 -1.437 -9.179 36 HA ARG 5 HA ARG 5 -7.874 -3.426 -7.373 37 HB2 ARG 5 HB2 ARG 5 -8.161 -1.025 -6.685 38 HB3 ARG 5 HB3 ARG 5 -8.831 -0.676 -8.262 39 HG2 ARG 5 HG2 ARG 5 -10.693 -0.898 -6.872 40 HG3 ARG 5 HG3 ARG 5 -10.663 -2.401 -7.771 41 HD2 ARG 5 HD2 ARG 5 -11.226 -2.832 -5.445 42 HD3 ARG 5 HD3 ARG 5 -9.661 -3.540 -5.786 43 HE ARG 5 HE ARG 5 -8.586 -1.883 -4.495 44 HH11 ARG 5 HH21 ARG 5 -12.171 -1.559 -4.205 45 HH12 ARG 5 HH22 ARG 5 -12.041 -0.221 -3.105 46 HH21 ARG 5 HH11 ARG 5 -8.526 -0.112 -2.990 47 HH22 ARG 5 HH12 ARG 5 -10.013 0.475 -2.307 48 H ILE 6 H ILE 6 -7.859 -5.070 -9.071 49 HA ILE 6 HA ILE 6 -8.517 -4.591 -11.798 50 HB ILE 6 HB ILE 6 -8.924 -7.076 -10.087 51 HG12 ILE 6 HG12 ILE 6 -6.628 -6.453 -9.856 52 HG13 ILE 6 HG13 ILE 6 -6.759 -7.802 -10.942 53 HG21 ILE 6 HG21 ILE 6 -10.150 -7.309 -12.148 54 HG22 ILE 6 HG22 ILE 6 -8.744 -6.786 -13.105 55 HG23 ILE 6 HG23 ILE 6 -8.699 -8.325 -12.222 56 HD11 ILE 6 HD11 ILE 6 -5.100 -6.198 -11.782 57 HD12 ILE 6 HD12 ILE 6 -6.472 -6.297 -12.897 58 HD13 ILE 6 HD13 ILE 6 -6.307 -4.915 -11.789 59 H ASN 7 H ASN 7 -10.381 -5.759 -9.044 60 HA ASN 7 HA ASN 7 -12.779 -4.330 -9.737 61 HB2 ASN 7 HB2 ASN 7 -14.283 -6.129 -10.064 62 HB3 ASN 7 HB3 ASN 7 -12.978 -6.404 -11.178 63 HD21 ASN 7 HD22 ASN 7 -14.424 -8.559 -10.920 64 HD22 ASN 7 HD21 ASN 7 -13.691 -9.736 -9.853 65 H GLU 8 H GLU 8 -14.470 -5.656 -7.809 66 HA GLU 8 HA GLU 8 -13.139 -4.622 -5.478 67 HB2 GLU 8 HB2 GLU 8 -15.705 -4.599 -6.280 68 HB3 GLU 8 HB3 GLU 8 -15.775 -6.056 -5.289 69 HG2 GLU 8 HG2 GLU 8 -16.367 -4.269 -3.849 70 HG3 GLU 8 HG3 GLU 8 -14.710 -4.650 -3.411 71 H HIS 9 H HIS 9 -12.693 -7.574 -6.801 72 HA HIS 9 HA HIS 9 -12.516 -9.039 -4.185 73 HB2 HIS 9 HB2 HIS 9 -13.282 -10.192 -6.892 74 HB3 HIS 9 HB3 HIS 9 -13.318 -10.998 -5.330 75 HD1 HIS 9 HD1 HIS 9 -15.595 -9.271 -7.646 76 HD2 HIS 9 HD2 HIS 9 -15.147 -9.563 -3.463 77 HE1 HIS 9 HE1 HIS 9 -17.810 -8.540 -6.626 78 H THR 10 H THR 10 -11.255 -9.069 -7.596 79 HA THR 10 HA THR 10 -8.708 -10.184 -6.634 80 HB THR 10 HB THR 10 -9.523 -9.091 -9.359 81 HG1 THR 10 HG1 THR 10 -10.014 -11.212 -9.840 82 HG21 THR 10 HG21 THR 10 -7.603 -10.413 -10.224 83 HG22 THR 10 HG22 THR 10 -7.085 -9.131 -9.127 84 HG23 THR 10 HG23 THR 10 -7.130 -10.796 -8.548 85 H VAL 11 H VAL 11 -6.934 -9.002 -6.218 86 HA VAL 11 HA VAL 11 -6.751 -6.240 -7.218 87 HB VAL 11 HB VAL 11 -5.676 -5.422 -5.187 88 HG11 VAL 11 HG11 VAL 11 -8.125 -5.105 -5.534 89 HG12 VAL 11 HG12 VAL 11 -8.438 -6.512 -4.499 90 HG13 VAL 11 HG13 VAL 11 -7.638 -5.073 -3.832 91 HG21 VAL 11 HG21 VAL 11 -4.829 -7.442 -4.145 92 HG22 VAL 11 HG22 VAL 11 -5.899 -6.606 -3.022 93 HG23 VAL 11 HG23 VAL 11 -6.479 -8.055 -3.869 94 H LYS 12 H LYS 12 -4.431 -5.690 -7.564 95 HA LYS 12 HA LYS 12 -2.608 -7.937 -7.144 96 HB2 LYS 12 HB2 LYS 12 -1.733 -8.090 -9.283 97 HB3 LYS 12 HB3 LYS 12 -3.471 -8.164 -9.543 98 HG2 LYS 12 HG2 LYS 12 -3.494 -5.873 -10.299 99 HG3 LYS 12 HG3 LYS 12 -1.748 -5.716 -10.005 100 HD2 LYS 12 HD2 LYS 12 -1.358 -7.641 -11.583 101 HD3 LYS 12 HD3 LYS 12 -3.090 -7.612 -12.007 102 HE2 LYS 12 HE2 LYS 12 -2.876 -5.297 -12.821 103 HE3 LYS 12 HE3 LYS 12 -1.237 -5.229 -12.134 104 HZ1 LYS 12 HZ1 LYS 12 -1.985 -7.016 -14.385 105 HZ2 LYS 12 HZ2 LYS 12 -1.223 -5.575 -14.556 106 HZ3 LYS 12 HZ3 LYS 12 -0.469 -6.785 -13.751 107 H PHE 13 H PHE 13 -0.310 -7.146 -7.532 108 HA PHE 13 HA PHE 13 -0.062 -4.255 -7.561 109 HB2 PHE 13 HB2 PHE 13 1.328 -4.188 -5.503 110 HB3 PHE 13 HB3 PHE 13 -0.355 -4.574 -5.186 111 HD1 PHE 13 HD2 PHE 13 -1.076 -6.881 -4.586 112 HD2 PHE 13 HD1 PHE 13 3.071 -5.797 -4.989 113 HE1 PHE 13 HE2 PHE 13 -0.429 -8.849 -3.217 114 HE2 PHE 13 HE1 PHE 13 3.715 -7.720 -3.556 115 HZ PHE 13 HZ PHE 13 1.950 -9.204 -2.605 116 H TYR 14 H TYR 14 2.062 -3.635 -8.204 117 HA TYR 14 HA TYR 14 3.901 -5.862 -8.924 118 HB2 TYR 14 HB2 TYR 14 3.355 -4.537 -10.845 119 HB3 TYR 14 HB3 TYR 14 3.560 -3.043 -9.971 120 HD1 TYR 14 HD1 TYR 14 5.402 -6.128 -10.973 121 HD2 TYR 14 HD2 TYR 14 5.645 -1.989 -9.872 122 HE1 TYR 14 HE1 TYR 14 7.802 -6.200 -11.474 123 HE2 TYR 14 HE2 TYR 14 8.112 -2.008 -10.362 124 HH TYR 14 HH TYR 14 9.918 -3.265 -11.155 125 H MET 15 H MET 15 5.934 -5.823 -8.013 126 HA MET 15 HA MET 15 6.494 -3.828 -5.879 127 HB2 MET 15 HB2 MET 15 5.305 -5.971 -5.096 128 HB3 MET 15 HB3 MET 15 6.737 -6.843 -5.626 129 HG2 MET 15 HG2 MET 15 8.094 -5.640 -4.076 130 HG3 MET 15 HG3 MET 15 6.765 -4.573 -3.669 131 HE1 MET 15 HE1 MET 15 5.903 -4.815 -1.287 132 HE2 MET 15 HE2 MET 15 6.495 -6.165 -0.298 133 HE3 MET 15 HE3 MET 15 7.644 -5.142 -1.234 134 H SER 16 H SER 16 8.306 -2.928 -6.706 135 HA SER 16 HA SER 16 10.318 -4.331 -8.231 136 HB2 SER 16 HB2 SER 16 10.722 -1.805 -6.622 137 HB3 SER 16 HB3 SER 16 11.571 -2.306 -8.097 138 HG SER 16 HG SER 16 9.970 -0.673 -8.480 139 H TYR 17 H TYR 17 12.379 -5.059 -7.465 140 HA TYR 17 HA TYR 17 12.408 -6.464 -5.069 141 HB2 TYR 17 HB2 TYR 17 14.798 -5.310 -6.527 142 HB3 TYR 17 HB3 TYR 17 14.859 -6.592 -5.320 143 HD1 TYR 17 HD1 TYR 17 12.297 -8.138 -6.312 144 HD2 TYR 17 HD2 TYR 17 15.809 -6.548 -8.284 145 HE1 TYR 17 HE1 TYR 17 12.118 -9.870 -8.024 146 HE2 TYR 17 HE2 TYR 17 15.638 -8.293 -10.005 147 HH TYR 17 HH TYR 17 13.070 -10.822 -9.982 148 H GLY 18 H GLY 18 13.688 -3.107 -5.513 149 HA2 GLY 18 HA2 GLY 18 14.723 -3.141 -2.850 150 HA3 GLY 18 HA3 GLY 18 14.610 -1.766 -3.861 151 H ASP 19 H ASP 19 11.427 -2.837 -3.827 152 HA ASP 19 HA ASP 19 10.543 -1.240 -1.534 153 HB2 ASP 19 HB2 ASP 19 9.131 -1.881 -3.639 154 HB3 ASP 19 HB3 ASP 19 8.973 -3.461 -2.911 155 H ILE 20 H ILE 20 11.089 -4.644 -2.366 156 HA ILE 20 HA ILE 20 10.242 -5.783 0.119 157 HB ILE 20 HB ILE 20 11.916 -6.855 -2.211 158 HG12 ILE 20 HG12 ILE 20 9.078 -7.645 -1.565 159 HG13 ILE 20 HG13 ILE 20 9.366 -6.124 -2.382 160 HG21 ILE 20 HG21 ILE 20 11.537 -9.075 -1.385 161 HG22 ILE 20 HG22 ILE 20 12.346 -8.125 -0.122 162 HG23 ILE 20 HG23 ILE 20 10.598 -8.451 -0.020 163 HD11 ILE 20 HD11 ILE 20 8.850 -7.847 -3.986 164 HD12 ILE 20 HD12 ILE 20 10.462 -7.187 -4.241 165 HD13 ILE 20 HD13 ILE 20 10.276 -8.795 -3.476 166 H GLU 21 H GLU 21 13.450 -4.790 -1.237 167 HA GLU 21 HA GLU 21 14.984 -5.489 1.044 168 HB2 GLU 21 HB2 GLU 21 15.462 -3.073 -0.772 169 HB3 GLU 21 HB3 GLU 21 16.625 -3.866 0.272 170 HG2 GLU 21 HG2 GLU 21 16.388 -5.933 -1.171 171 HG3 GLU 21 HG3 GLU 21 15.446 -5.010 -2.282 172 H ASP 22 H ASP 22 13.067 -2.517 0.360 173 HA ASP 22 HA ASP 22 14.119 -0.951 2.522 174 HB2 ASP 22 HB2 ASP 22 12.854 -0.029 0.589 175 HB3 ASP 22 HB3 ASP 22 11.392 -0.771 1.193 176 H ARG 23 H ARG 23 11.279 -3.010 2.116 177 HA ARG 23 HA ARG 23 10.359 -2.856 4.855 178 HB2 ARG 23 HB2 ARG 23 9.788 -4.763 2.559 179 HB3 ARG 23 HB3 ARG 23 9.025 -4.870 4.160 180 HG2 ARG 23 HG2 ARG 23 8.125 -2.625 3.965 181 HG3 ARG 23 HG3 ARG 23 8.836 -2.434 2.349 182 HD2 ARG 23 HD2 ARG 23 7.339 -3.932 1.362 183 HD3 ARG 23 HD3 ARG 23 7.090 -4.837 2.832 184 HE ARG 23 HE ARG 23 5.504 -3.368 3.615 185 HH11 ARG 23 HH12 ARG 23 6.726 -2.018 0.517 186 HH12 ARG 23 HH11 ARG 23 5.738 -0.608 0.639 187 HH21 ARG 23 HH21 ARG 23 4.195 -1.563 3.707 188 HH22 ARG 23 HH22 ARG 23 4.178 -0.395 2.416 189 H GLY 24 H GLY 24 13.163 -4.252 3.583 190 HA2 GLY 24 HA2 GLY 24 14.828 -5.218 4.802 191 HA3 GLY 24 HA3 GLY 24 13.720 -5.377 6.166 192 H PHE 25 H PHE 25 12.406 -6.671 3.324 193 HA PHE 25 HA PHE 25 13.049 -9.498 4.056 194 HB2 PHE 25 HB2 PHE 25 11.073 -8.331 2.071 195 HB3 PHE 25 HB3 PHE 25 11.274 -10.044 2.449 196 HD1 PHE 25 HD1 PHE 25 9.913 -6.815 3.567 197 HD2 PHE 25 HD2 PHE 25 10.342 -10.999 4.564 198 HE1 PHE 25 HE1 PHE 25 8.440 -6.516 5.547 199 HE2 PHE 25 HE2 PHE 25 8.948 -10.660 6.553 200 HZ PHE 25 HZ PHE 25 7.995 -8.412 7.067 201 H ASP 26 H ASP 26 13.102 -10.670 1.546 202 HA ASP 26 HA ASP 26 14.855 -9.100 -0.200 203 HB2 ASP 26 HB2 ASP 26 16.153 -10.778 1.555 204 HB3 ASP 26 HB3 ASP 26 15.772 -11.893 0.258 205 H ARG 27 H ARG 27 14.909 -10.113 -2.368 206 HA ARG 27 HA ARG 27 12.200 -10.705 -2.987 207 HB2 ARG 27 HB2 ARG 27 12.952 -10.818 -5.338 208 HB3 ARG 27 HB3 ARG 27 13.741 -9.470 -4.511 209 HG2 ARG 27 HG2 ARG 27 15.816 -10.778 -4.281 210 HG3 ARG 27 HG3 ARG 27 15.043 -12.178 -5.049 211 HD2 ARG 27 HD2 ARG 27 14.791 -10.983 -7.129 212 HD3 ARG 27 HD3 ARG 27 15.486 -9.508 -6.415 213 HE ARG 27 HE ARG 27 17.485 -11.139 -5.913 214 HH11 ARG 27 HH11 ARG 27 15.668 -10.931 -8.995 215 HH12 ARG 27 HH12 ARG 27 16.987 -11.524 -9.937 216 HH21 ARG 27 HH21 ARG 27 19.200 -11.925 -7.195 217 HH22 ARG 27 HH22 ARG 27 19.029 -12.063 -8.904 218 H GLU 28 H GLU 28 14.926 -12.942 -2.632 219 HA GLU 28 HA GLU 28 13.224 -15.221 -3.491 220 HB2 GLU 28 HB2 GLU 28 16.020 -15.085 -2.328 221 HB3 GLU 28 HB3 GLU 28 15.208 -16.559 -2.809 222 HG2 GLU 28 HG2 GLU 28 14.977 -15.607 -5.138 223 HG3 GLU 28 HG3 GLU 28 15.999 -14.263 -4.629 224 H GLU 29 H GLU 29 14.616 -13.770 -0.526 225 HA GLU 29 HA GLU 29 14.004 -15.831 1.245 226 HB2 GLU 29 HB2 GLU 29 14.211 -12.814 1.616 227 HB3 GLU 29 HB3 GLU 29 14.096 -13.879 2.982 228 HG2 GLU 29 HG2 GLU 29 16.296 -14.040 0.881 229 HG3 GLU 29 HG3 GLU 29 16.375 -13.189 2.406 230 H ILE 30 H ILE 30 12.007 -13.166 0.223 231 HA ILE 30 HA ILE 30 9.703 -13.386 1.761 232 HB ILE 30 HB ILE 30 10.052 -13.018 -1.203 233 HG12 ILE 30 HG12 ILE 30 10.710 -11.296 0.657 234 HG13 ILE 30 HG13 ILE 30 9.937 -10.809 -0.826 235 HG21 ILE 30 HG21 ILE 30 7.701 -12.200 -1.337 236 HG22 ILE 30 HG22 ILE 30 7.829 -13.943 -1.108 237 HG23 ILE 30 HG23 ILE 30 7.385 -12.918 0.267 238 HD11 ILE 30 HD11 ILE 30 8.475 -11.203 1.841 239 HD12 ILE 30 HD12 ILE 30 9.038 -9.636 1.228 240 HD13 ILE 30 HD13 ILE 30 7.780 -10.495 0.361 241 H TRP 31 H TRP 31 10.518 -15.473 -1.066 242 HA TRP 31 HA TRP 31 8.158 -17.102 -0.720 243 HB2 TRP 31 HB2 TRP 31 10.583 -17.556 -2.471 244 HB3 TRP 31 HB3 TRP 31 9.007 -18.289 -2.680 245 HD1 TRP 31 HD1 TRP 31 11.015 -15.590 -3.947 246 HE1 TRP 31 HE1 TRP 31 9.706 -13.671 -4.989 247 HE3 TRP 31 HE3 TRP 31 6.308 -16.936 -2.441 248 HZ2 TRP 31 HZ2 TRP 31 6.927 -12.769 -5.083 249 HZ3 TRP 31 HZ3 TRP 31 4.345 -15.563 -3.080 250 HH2 TRP 31 HH2 TRP 31 4.644 -13.472 -4.394 251 H TYR 32 H TYR 32 11.286 -17.263 0.707 252 HA TYR 32 HA TYR 32 11.068 -20.212 1.123 253 HB2 TYR 32 HB2 TYR 32 13.527 -18.457 0.911 254 HB3 TYR 32 HB3 TYR 32 13.522 -20.202 1.132 255 HD1 TYR 32 HD1 TYR 32 11.739 -21.414 -0.656 256 HD2 TYR 32 HD2 TYR 32 14.144 -17.897 -1.292 257 HE1 TYR 32 HE1 TYR 32 11.584 -21.758 -3.088 258 HE2 TYR 32 HE2 TYR 32 13.904 -18.157 -3.731 259 HH TYR 32 HH TYR 32 13.064 -19.493 -5.478 260 H ASN 33 H ASN 33 10.448 -17.509 2.838 261 HA ASN 33 HA ASN 33 10.921 -18.927 5.418 262 HB2 ASN 33 HB2 ASN 33 11.020 -15.959 4.752 263 HB3 ASN 33 HB3 ASN 33 10.940 -16.604 6.378 264 HD21 ASN 33 HD22 ASN 33 12.882 -16.080 3.569 265 HD22 ASN 33 HD21 ASN 33 14.453 -16.322 4.326 266 H ARG 34 H ARG 34 8.818 -19.904 5.114 267 HA ARG 34 HA ARG 34 6.686 -18.834 3.774 268 HB2 ARG 34 HB2 ARG 34 6.828 -21.153 4.384 269 HB3 ARG 34 HB3 ARG 34 6.670 -20.784 6.107 270 HG2 ARG 34 HG2 ARG 34 4.377 -20.099 5.860 271 HG3 ARG 34 HG3 ARG 34 4.490 -20.100 4.093 272 HD2 ARG 34 HD2 ARG 34 4.827 -22.548 4.107 273 HD3 ARG 34 HD3 ARG 34 4.802 -22.545 5.882 274 HE ARG 34 HE ARG 34 2.417 -21.328 4.948 275 HH11 ARG 34 HH21 ARG 34 3.916 -24.551 5.018 276 HH12 ARG 34 HH22 ARG 34 2.411 -25.407 5.019 277 HH21 ARG 34 HH11 ARG 34 0.411 -22.466 4.932 278 HH22 ARG 34 HH12 ARG 34 0.380 -24.192 4.965 279 H GLU 35 H GLU 35 7.385 -18.199 7.237 280 HA GLU 35 HA GLU 35 4.779 -16.927 7.563 281 HB2 GLU 35 HB2 GLU 35 5.497 -16.411 9.808 282 HB3 GLU 35 HB3 GLU 35 5.769 -18.109 9.474 283 HG2 GLU 35 HG2 GLU 35 7.978 -16.001 9.381 284 HG3 GLU 35 HG3 GLU 35 7.539 -16.891 10.825 285 H ARG 36 H ARG 36 8.019 -15.939 6.607 286 HA ARG 36 HA ARG 36 7.480 -13.091 7.073 287 HB2 ARG 36 HB2 ARG 36 9.797 -14.522 5.787 288 HB3 ARG 36 HB3 ARG 36 9.661 -12.809 5.990 289 HG2 ARG 36 HG2 ARG 36 10.040 -14.918 8.125 290 HG3 ARG 36 HG3 ARG 36 11.019 -13.499 7.772 291 HD2 ARG 36 HD2 ARG 36 9.175 -12.022 8.618 292 HD3 ARG 36 HD3 ARG 36 8.252 -13.482 9.045 293 HE ARG 36 HE ARG 36 10.887 -13.502 10.213 294 HH11 ARG 36 HH21 ARG 36 7.581 -12.130 10.655 295 HH12 ARG 36 HH22 ARG 36 7.778 -11.963 12.364 296 HH21 ARG 36 HH11 ARG 36 11.089 -13.247 12.484 297 HH22 ARG 36 HH12 ARG 36 9.791 -12.605 13.423 298 H SER 37 H SER 37 6.938 -15.475 4.548 299 HA SER 37 HA SER 37 6.700 -13.567 2.420 300 HB2 SER 37 HB2 SER 37 4.678 -15.721 2.388 301 HB3 SER 37 HB3 SER 37 5.831 -15.227 1.158 302 HG SER 37 HG SER 37 7.429 -16.356 2.227 303 H GLU 38 H GLU 38 4.385 -14.798 4.902 304 HA GLU 38 HA GLU 38 2.068 -13.678 3.983 305 HB2 GLU 38 HB2 GLU 38 2.679 -15.334 5.949 306 HB3 GLU 38 HB3 GLU 38 2.627 -13.866 6.936 307 HG2 GLU 38 HG2 GLU 38 0.354 -13.416 5.996 308 HG3 GLU 38 HG3 GLU 38 0.421 -14.932 5.115 309 H GLU 39 H GLU 39 4.610 -12.004 5.822 310 HA GLU 39 HA GLU 39 3.168 -9.783 6.730 311 HB2 GLU 39 HB2 GLU 39 5.993 -9.533 5.739 312 HB3 GLU 39 HB3 GLU 39 5.284 -8.856 7.190 313 HG2 GLU 39 HG2 GLU 39 6.054 -11.751 6.785 314 HG3 GLU 39 HG3 GLU 39 7.018 -10.545 7.517 315 H LEU 40 H LEU 40 4.568 -10.520 3.602 316 HA LEU 40 HA LEU 40 4.448 -7.949 2.353 317 HB2 LEU 40 HB2 LEU 40 5.617 -10.023 1.485 318 HB3 LEU 40 HB3 LEU 40 4.043 -10.692 1.147 319 HG LEU 40 HG LEU 40 5.717 -8.971 -0.482 320 HD11 LEU 40 HD11 LEU 40 4.359 -9.843 -2.268 321 HD12 LEU 40 HD12 LEU 40 4.812 -11.124 -1.147 322 HD13 LEU 40 HD13 LEU 40 3.164 -10.469 -1.098 323 HD21 LEU 40 HD21 LEU 40 2.831 -8.031 -0.426 324 HD22 LEU 40 HD22 LEU 40 4.195 -7.108 0.278 325 HD23 LEU 40 HD23 LEU 40 4.146 -7.462 -1.434 326 H PHE 41 H PHE 41 2.191 -10.712 2.414 327 HA PHE 41 HA PHE 41 0.143 -9.493 0.911 328 HB2 PHE 41 HB2 PHE 41 -0.032 -11.824 2.848 329 HB3 PHE 41 HB3 PHE 41 -1.222 -11.409 1.620 330 HD1 PHE 41 HD1 PHE 41 2.197 -12.607 2.229 331 HD2 PHE 41 HD2 PHE 41 -0.717 -11.757 -0.806 332 HE1 PHE 41 HE1 PHE 41 3.662 -13.690 0.543 333 HE2 PHE 41 HE2 PHE 41 0.738 -12.857 -2.497 334 HZ PHE 41 HZ PHE 41 2.920 -13.832 -1.835 335 H TRP 42 H TRP 42 0.735 -9.709 4.439 336 HA TRP 42 HA TRP 42 -1.644 -8.387 5.257 337 HB2 TRP 42 HB2 TRP 42 1.100 -8.712 6.472 338 HB3 TRP 42 HB3 TRP 42 -0.103 -7.703 7.244 339 HD1 TRP 42 HD1 TRP 42 0.958 -11.225 7.072 340 HE1 TRP 42 HE1 TRP 42 -0.717 -12.798 8.167 341 HE3 TRP 42 HE3 TRP 42 -2.977 -7.977 7.491 342 HZ2 TRP 42 HZ2 TRP 42 -3.493 -12.681 9.058 343 HZ3 TRP 42 HZ3 TRP 42 -5.147 -8.754 8.413 344 HH2 TRP 42 HH2 TRP 42 -5.419 -11.099 9.184 345 H GLU 43 H GLU 43 1.493 -6.931 4.071 346 HA GLU 43 HA GLU 43 0.704 -4.275 4.833 347 HB2 GLU 43 HB2 GLU 43 2.798 -5.428 2.950 348 HB3 GLU 43 HB3 GLU 43 2.549 -3.699 3.103 349 HG2 GLU 43 HG2 GLU 43 3.138 -5.471 5.510 350 HG3 GLU 43 HG3 GLU 43 4.388 -4.706 4.537 351 H VAL 44 H VAL 44 0.307 -6.198 1.768 352 HA VAL 44 HA VAL 44 -0.765 -3.916 0.385 353 HB VAL 44 HB VAL 44 -1.496 -5.610 -1.230 354 HG11 VAL 44 HG11 VAL 44 1.422 -5.889 -0.347 355 HG12 VAL 44 HG12 VAL 44 0.816 -6.044 -1.996 356 HG13 VAL 44 HG13 VAL 44 0.784 -4.461 -1.214 357 HG21 VAL 44 HG21 VAL 44 -1.771 -7.616 0.126 358 HG22 VAL 44 HG22 VAL 44 -0.610 -7.883 -1.167 359 HG23 VAL 44 HG23 VAL 44 -0.012 -7.562 0.457 360 H MET 45 H MET 45 -2.262 -6.688 2.085 361 HA MET 45 HA MET 45 -4.929 -5.895 1.581 362 HB2 MET 45 HB2 MET 45 -4.410 -8.104 2.407 363 HB3 MET 45 HB3 MET 45 -3.646 -7.433 3.852 364 HG2 MET 45 HG2 MET 45 -5.915 -8.356 4.257 365 HG3 MET 45 HG3 MET 45 -5.649 -6.684 4.731 366 HE1 MET 45 HE1 MET 45 -8.084 -7.668 0.874 367 HE2 MET 45 HE2 MET 45 -6.361 -7.269 0.787 368 HE3 MET 45 HE3 MET 45 -6.889 -8.775 1.594 369 H ASP 46 H ASP 46 -2.596 -4.822 4.147 370 HA ASP 46 HA ASP 46 -4.387 -3.180 5.577 371 HB2 ASP 46 HB2 ASP 46 -2.165 -3.671 6.368 372 HB3 ASP 46 HB3 ASP 46 -1.421 -2.827 5.026 373 H GLU 47 H GLU 47 -2.567 -2.527 2.562 374 HA GLU 47 HA GLU 47 -3.267 0.189 2.241 375 HB2 GLU 47 HB2 GLU 47 -1.952 -1.988 0.744 376 HB3 GLU 47 HB3 GLU 47 -2.919 -1.002 -0.314 377 HG2 GLU 47 HG2 GLU 47 -0.730 -0.055 1.574 378 HG3 GLU 47 HG3 GLU 47 -0.560 -0.338 -0.138 379 H VAL 48 H VAL 48 -5.338 -2.485 2.184 380 HA VAL 48 HA VAL 48 -7.389 -1.055 0.535 381 HB VAL 48 HB VAL 48 -6.969 -4.075 0.670 382 HG11 VAL 48 HG11 VAL 48 -8.601 -2.355 -1.260 383 HG12 VAL 48 HG12 VAL 48 -8.393 -4.123 -1.363 384 HG13 VAL 48 HG13 VAL 48 -9.254 -3.418 -0.010 385 HG21 VAL 48 HG21 VAL 48 -6.171 -2.278 -1.671 386 HG22 VAL 48 HG22 VAL 48 -5.027 -3.027 -0.557 387 HG23 VAL 48 HG23 VAL 48 -6.038 -4.056 -1.558 388 H HIS 49 H HIS 49 -6.610 -2.386 3.593 389 HA HIS 49 HA HIS 49 -8.694 -3.905 4.136 390 HB2 HIS 49 HB2 HIS 49 -6.634 -3.592 5.512 391 HB3 HIS 49 HB3 HIS 49 -7.417 -2.219 6.292 392 HD1 HIS 49 HD1 HIS 49 -8.303 -3.082 8.624 393 HD2 HIS 49 HD2 HIS 49 -8.687 -5.818 5.450 394 HE1 HIS 49 HE1 HIS 49 -9.472 -5.132 9.584 395 H GLU 50 H GLU 50 -8.915 -0.368 4.362 396 HA GLU 50 HA GLU 50 -11.285 -0.195 5.917 397 HB2 GLU 50 HB2 GLU 50 -10.224 1.632 3.719 398 HB3 GLU 50 HB3 GLU 50 -11.553 2.035 4.810 399 HG2 GLU 50 HG2 GLU 50 -10.026 1.743 6.765 400 HG3 GLU 50 HG3 GLU 50 -8.681 1.475 5.656 401 H GLU 51 H GLU 51 -10.874 -1.398 2.689 402 HA GLU 51 HA GLU 51 -13.784 -1.222 2.120 403 HB2 GLU 51 HB2 GLU 51 -11.349 -1.402 0.318 404 HB3 GLU 51 HB3 GLU 51 -13.009 -1.610 -0.251 405 HG2 GLU 51 HG2 GLU 51 -13.631 0.616 0.524 406 HG3 GLU 51 HG3 GLU 51 -12.027 0.870 1.207 407 H GLU 52 H GLU 52 -11.753 -3.286 3.588 408 HA GLU 52 HA GLU 52 -12.848 -5.768 2.331 409 HB2 GLU 52 HB2 GLU 52 -10.096 -5.088 3.290 410 HB3 GLU 52 HB3 GLU 52 -10.603 -6.748 3.103 411 HG2 GLU 52 HG2 GLU 52 -10.884 -4.758 0.814 412 HG3 GLU 52 HG3 GLU 52 -9.368 -5.536 1.196 413 H GLU 53 H GLU 53 -12.274 -3.965 5.319 414 HA GLU 53 HA GLU 53 -12.238 -5.999 7.177 415 HB2 GLU 53 HB2 GLU 53 -13.001 -4.340 8.792 416 HB3 GLU 53 HB3 GLU 53 -11.770 -3.687 7.721 417 HG2 GLU 53 HG2 GLU 53 -13.484 -2.473 6.423 418 HG3 GLU 53 HG3 GLU 53 -14.762 -3.202 7.400 419 H PHE 54 H PHE 54 -14.942 -5.202 5.196 420 HA PHE 54 HA PHE 54 -16.844 -6.734 6.905 421 HB2 PHE 54 HB2 PHE 54 -18.587 -5.605 5.531 422 HB3 PHE 54 HB3 PHE 54 -17.609 -4.519 6.497 423 HD1 PHE 54 HD1 PHE 54 -18.137 -5.770 2.999 424 HD2 PHE 54 HD2 PHE 54 -16.318 -2.760 5.507 425 HE1 PHE 54 HE1 PHE 54 -17.557 -4.436 0.989 426 HE2 PHE 54 HE2 PHE 54 -15.758 -1.428 3.499 427 HZ PHE 54 HZ PHE 54 -16.368 -2.265 1.228 428 H ALA 55 H ALA 55 -14.689 -7.421 4.550 429 HA ALA 55 HA ALA 55 -16.392 -9.514 3.312 430 HB1 ALA 55 HB1 ALA 55 -15.299 -9.050 1.132 431 HB2 ALA 55 HB2 ALA 55 -16.185 -7.624 1.707 432 HB3 ALA 55 HB3 ALA 55 -14.415 -7.701 1.863 433 H VAL 56 H VAL 56 -13.576 -8.816 5.054 434 HA VAL 56 HA VAL 56 -12.147 -11.154 4.237 435 HB VAL 56 HB VAL 56 -10.995 -9.249 5.097 436 HG11 VAL 56 HG11 VAL 56 -12.664 -8.429 6.768 437 HG12 VAL 56 HG12 VAL 56 -12.168 -9.736 7.853 438 HG13 VAL 56 HG13 VAL 56 -11.004 -8.493 7.367 439 HG21 VAL 56 HG21 VAL 56 -9.478 -10.425 6.593 440 HG22 VAL 56 HG22 VAL 56 -10.735 -11.646 6.939 441 HG23 VAL 56 HG23 VAL 56 -10.066 -11.503 5.304 442 H GLU 57 H GLU 57 -14.146 -12.375 4.155 443 HA GLU 57 HA GLU 57 -14.497 -14.152 6.444 444 HB2 GLU 57 HB2 GLU 57 -16.972 -13.644 6.486 445 HB3 GLU 57 HB3 GLU 57 -15.949 -12.437 7.217 446 HG2 GLU 57 HG2 GLU 57 -16.229 -10.884 5.465 447 HG3 GLU 57 HG3 GLU 57 -16.800 -12.095 4.333 448 H GLY 58 H GLY 58 -13.367 -14.552 3.957 449 HA2 GLY 58 HA2 GLY 58 -15.085 -16.512 2.636 450 HA3 GLY 58 HA3 GLY 58 -14.706 -15.074 1.675 451 HA PRO 59 HA PRO 59 -11.256 -18.254 1.394 452 HB2 PRO 59 HB2 PRO 59 -11.256 -18.637 -1.309 453 HB3 PRO 59 HB3 PRO 59 -12.361 -19.489 -0.191 454 HG2 PRO 59 HG2 PRO 59 -12.933 -17.019 -1.853 455 HG3 PRO 59 HG3 PRO 59 -13.928 -18.502 -1.647 456 HD2 PRO 59 HD2 PRO 59 -14.416 -16.241 -0.225 457 HD3 PRO 59 HD3 PRO 59 -14.663 -17.886 0.442 458 H LEU 60 H LEU 60 -9.211 -18.053 -0.062 459 HA LEU 60 HA LEU 60 -8.655 -15.381 -1.122 460 HB2 LEU 60 HB2 LEU 60 -7.967 -15.305 1.318 461 HB3 LEU 60 HB3 LEU 60 -6.910 -16.696 0.993 462 HG LEU 60 HG LEU 60 -5.526 -15.382 -0.512 463 HD11 LEU 60 HD11 LEU 60 -5.812 -12.914 -0.716 464 HD12 LEU 60 HD12 LEU 60 -7.132 -13.788 -1.484 465 HD13 LEU 60 HD13 LEU 60 -7.380 -13.043 0.116 466 HD21 LEU 60 HD21 LEU 60 -4.551 -13.844 1.142 467 HD22 LEU 60 HD22 LEU 60 -6.028 -13.953 2.131 468 HD23 LEU 60 HD23 LEU 60 -4.998 -15.389 1.881 469 H TRP 61 H TRP 61 -7.027 -15.486 -2.704 470 HA TRP 61 HA TRP 61 -5.800 -18.098 -3.328 471 HB2 TRP 61 HB2 TRP 61 -7.488 -16.267 -5.023 472 HB3 TRP 61 HB3 TRP 61 -6.583 -17.527 -5.762 473 HD1 TRP 61 HD1 TRP 61 -9.766 -16.729 -3.922 474 HE1 TRP 61 HE1 TRP 61 -11.338 -18.767 -3.865 475 HE3 TRP 61 HE3 TRP 61 -6.528 -20.209 -5.673 476 HZ2 TRP 61 HZ2 TRP 61 -11.151 -21.619 -4.464 477 HZ3 TRP 61 HZ3 TRP 61 -7.215 -22.607 -5.931 478 HH2 TRP 61 HH2 TRP 61 -9.522 -23.308 -5.320 479 H ILE 62 H ILE 62 -3.793 -17.780 -4.576 480 HA ILE 62 HA ILE 62 -2.864 -14.971 -4.902 481 HB ILE 62 HB ILE 62 -1.116 -17.115 -3.680 482 HG12 ILE 62 HG12 ILE 62 -2.987 -16.912 -2.048 483 HG13 ILE 62 HG13 ILE 62 -1.397 -16.523 -1.451 484 HG21 ILE 62 HG21 ILE 62 -0.985 -14.079 -3.523 485 HG22 ILE 62 HG22 ILE 62 0.203 -15.225 -2.870 486 HG23 ILE 62 HG23 ILE 62 -0.027 -15.096 -4.615 487 HD11 ILE 62 HD11 ILE 62 -3.149 -15.022 -0.578 488 HD12 ILE 62 HD12 ILE 62 -1.873 -14.146 -1.422 489 HD13 ILE 62 HD13 ILE 62 -3.441 -14.407 -2.215 490 H GLN 63 H GLN 63 -1.585 -14.751 -6.770 491 HA GLN 63 HA GLN 63 0.080 -17.012 -7.582 492 HB2 GLN 63 HB2 GLN 63 -0.460 -16.922 -9.936 493 HB3 GLN 63 HB3 GLN 63 -1.905 -17.303 -9.012 494 HG2 GLN 63 HG2 GLN 63 -2.607 -14.882 -9.188 495 HG3 GLN 63 HG3 GLN 63 -1.198 -14.602 -10.226 496 HE21 GLN 63 HE22 GLN 63 -1.124 -15.746 -12.376 497 HE22 GLN 63 HE21 GLN 63 -2.636 -16.193 -13.114 498 H VAL 64 H VAL 64 1.756 -16.124 -9.328 499 HA VAL 64 HA VAL 64 2.479 -13.316 -8.705 500 HB VAL 64 HB VAL 64 3.198 -14.734 -6.830 501 HG11 VAL 64 HG11 VAL 64 5.053 -16.130 -8.799 502 HG12 VAL 64 HG12 VAL 64 5.026 -16.324 -7.036 503 HG13 VAL 64 HG13 VAL 64 3.646 -16.865 -7.994 504 HG21 VAL 64 HG21 VAL 64 5.536 -13.575 -8.390 505 HG22 VAL 64 HG22 VAL 64 4.440 -12.696 -7.286 506 HG23 VAL 64 HG23 VAL 64 5.493 -13.975 -6.688 507 H GLN 65 H GLN 65 4.352 -12.583 -10.010 508 HA GLN 65 HA GLN 65 5.415 -14.396 -12.085 509 HB2 GLN 65 HB2 GLN 65 4.567 -11.476 -12.492 510 HB3 GLN 65 HB3 GLN 65 5.684 -12.332 -13.540 511 HG2 GLN 65 HG2 GLN 65 3.832 -12.653 -14.780 512 HG3 GLN 65 HG3 GLN 65 3.709 -14.056 -13.724 513 HE21 GLN 65 HE22 GLN 65 2.003 -14.158 -12.228 514 HE22 GLN 65 HE21 GLN 65 0.634 -13.040 -12.276 515 H ALA 66 H ALA 66 7.684 -13.954 -12.313 516 HA ALA 66 HA ALA 66 8.790 -11.782 -10.588 517 HB1 ALA 66 HB1 ALA 66 10.873 -13.056 -10.502 518 HB2 ALA 66 HB2 ALA 66 9.535 -13.978 -9.790 519 HB3 ALA 66 HB3 ALA 66 10.130 -14.384 -11.422 520 H LEU 67 H LEU 67 9.774 -10.211 -11.658 521 HA LEU 67 HA LEU 67 9.928 -10.281 -14.626 522 HB2 LEU 67 HB2 LEU 67 9.013 -8.078 -12.702 523 HB3 LEU 67 HB3 LEU 67 9.240 -7.873 -14.417 524 HG LEU 67 HG LEU 67 7.525 -10.040 -14.434 525 HD11 LEU 67 HD11 LEU 67 7.166 -10.107 -12.088 526 HD12 LEU 67 HD12 LEU 67 6.740 -8.370 -12.073 527 HD13 LEU 67 HD13 LEU 67 5.695 -9.559 -12.892 528 HD21 LEU 67 HD21 LEU 67 6.728 -7.098 -14.257 529 HD22 LEU 67 HD22 LEU 67 7.260 -7.933 -15.741 530 HD23 LEU 67 HD23 LEU 67 5.743 -8.403 -14.958 531 H ASP 68 H ASP 68 11.260 -8.016 -15.147 532 HA ASP 68 HA ASP 68 13.831 -8.978 -14.793 533 HB2 ASP 68 HB2 ASP 68 13.043 -7.537 -16.661 534 HB3 ASP 68 HB3 ASP 68 13.105 -6.140 -15.573 535 H LYS 69 H LYS 69 12.302 -6.380 -12.862 536 HA LYS 69 HA LYS 69 14.526 -6.609 -10.922 537 HB2 LYS 69 HB2 LYS 69 13.514 -3.981 -11.984 538 HB3 LYS 69 HB3 LYS 69 14.621 -4.140 -10.631 539 HG2 LYS 69 HG2 LYS 69 15.239 -5.037 -13.458 540 HG3 LYS 69 HG3 LYS 69 15.712 -3.512 -12.756 541 HD2 LYS 69 HD2 LYS 69 17.070 -4.634 -11.043 542 HD3 LYS 69 HD3 LYS 69 16.593 -6.218 -11.629 543 HE2 LYS 69 HE2 LYS 69 18.075 -4.153 -13.319 544 HE3 LYS 69 HE3 LYS 69 18.862 -5.441 -12.398 545 HZ1 LYS 69 HZ1 LYS 69 17.607 -7.057 -13.736 546 HZ2 LYS 69 HZ2 LYS 69 16.942 -5.861 -14.636 547 HZ3 LYS 69 HZ3 LYS 69 18.556 -6.115 -14.679 548 H GLY 70 H GLY 70 11.738 -7.618 -10.937 549 HA2 GLY 70 HA2 GLY 70 10.847 -6.801 -8.344 550 HA3 GLY 70 HA3 GLY 70 9.921 -5.964 -9.586 551 H LEU 71 H LEU 71 8.251 -7.339 -8.389 552 HA LEU 71 HA LEU 71 7.719 -9.768 -10.031 553 HB2 LEU 71 HB2 LEU 71 7.269 -9.552 -7.027 554 HB3 LEU 71 HB3 LEU 71 6.765 -10.881 -8.039 555 HG LEU 71 HG LEU 71 9.540 -10.652 -8.560 556 HD11 LEU 71 HD11 LEU 71 10.558 -10.674 -6.315 557 HD12 LEU 71 HD12 LEU 71 9.686 -9.142 -6.602 558 HD13 LEU 71 HD13 LEU 71 8.963 -10.404 -5.578 559 HD21 LEU 71 HD21 LEU 71 8.197 -12.747 -8.375 560 HD22 LEU 71 HD22 LEU 71 9.772 -12.787 -7.558 561 HD23 LEU 71 HD23 LEU 71 8.287 -12.584 -6.623 562 H GLU 72 H GLU 72 5.521 -10.006 -10.507 563 HA GLU 72 HA GLU 72 3.674 -7.917 -9.417 564 HB2 GLU 72 HB2 GLU 72 3.365 -9.678 -11.879 565 HB3 GLU 72 HB3 GLU 72 2.005 -8.941 -11.052 566 HG2 GLU 72 HG2 GLU 72 2.991 -6.684 -11.380 567 HG3 GLU 72 HG3 GLU 72 4.271 -7.413 -12.348 568 H ILE 73 H ILE 73 2.042 -8.623 -8.079 569 HA ILE 73 HA ILE 73 1.814 -11.535 -7.643 570 HB ILE 73 HB ILE 73 1.662 -9.336 -5.584 571 HG12 ILE 73 HG12 ILE 73 3.501 -10.372 -4.341 572 HG13 ILE 73 HG13 ILE 73 3.830 -11.487 -5.585 573 HG21 ILE 73 HG21 ILE 73 0.104 -11.172 -5.098 574 HG22 ILE 73 HG22 ILE 73 1.416 -12.365 -5.266 575 HG23 ILE 73 HG23 ILE 73 1.418 -11.193 -3.927 576 HD11 ILE 73 HD11 ILE 73 4.002 -8.484 -6.042 577 HD12 ILE 73 HD12 ILE 73 5.332 -9.425 -5.334 578 HD13 ILE 73 HD13 ILE 73 4.784 -9.787 -6.968 579 H ILE 74 H ILE 74 -0.309 -12.164 -7.859 580 HA ILE 74 HA ILE 74 -2.450 -10.069 -8.066 581 HB ILE 74 HB ILE 74 -2.019 -12.622 -9.655 582 HG12 ILE 74 HG12 ILE 74 -2.281 -11.314 -11.677 583 HG13 ILE 74 HG13 ILE 74 -2.459 -9.835 -10.764 584 HG21 ILE 74 HG21 ILE 74 -4.216 -12.139 -10.759 585 HG22 ILE 74 HG22 ILE 74 -4.373 -12.524 -9.052 586 HG23 ILE 74 HG23 ILE 74 -4.484 -10.828 -9.584 587 HD11 ILE 74 HD11 ILE 74 -0.217 -10.249 -11.900 588 HD12 ILE 74 HD12 ILE 74 -0.122 -9.830 -10.193 589 HD13 ILE 74 HD13 ILE 74 0.071 -11.529 -10.700 590 H VAL 75 H VAL 75 -4.196 -10.533 -6.634 591 HA VAL 75 HA VAL 75 -4.252 -13.218 -5.467 592 HB VAL 75 HB VAL 75 -4.416 -12.519 -3.236 593 HG11 VAL 75 HG11 VAL 75 -2.168 -10.733 -4.268 594 HG12 VAL 75 HG12 VAL 75 -2.252 -11.625 -2.744 595 HG13 VAL 75 HG13 VAL 75 -2.057 -12.490 -4.286 596 HG21 VAL 75 HG21 VAL 75 -5.696 -10.479 -3.426 597 HG22 VAL 75 HG22 VAL 75 -4.205 -10.192 -2.500 598 HG23 VAL 75 HG23 VAL 75 -4.309 -9.664 -4.205 599 H THR 76 H THR 76 -6.331 -14.019 -5.165 600 HA THR 76 HA THR 76 -8.386 -12.341 -6.528 601 HB THR 76 HB THR 76 -8.833 -13.986 -8.079 602 HG1 THR 76 HG1 THR 76 -8.242 -16.058 -8.048 603 HG21 THR 76 HG21 THR 76 -6.566 -12.928 -8.511 604 HG22 THR 76 HG22 THR 76 -5.810 -14.366 -7.771 605 HG23 THR 76 HG23 THR 76 -6.772 -14.514 -9.255 606 H LYS 77 H LYS 77 -10.624 -13.161 -6.251 607 HA LYS 77 HA LYS 77 -11.160 -15.068 -4.131 608 HB2 LYS 77 HB2 LYS 77 -11.954 -12.128 -3.827 609 HB3 LYS 77 HB3 LYS 77 -12.801 -13.442 -3.024 610 HG2 LYS 77 HG2 LYS 77 -11.425 -13.143 -1.310 611 HG3 LYS 77 HG3 LYS 77 -10.263 -14.033 -2.249 612 HD2 LYS 77 HD2 LYS 77 -9.103 -12.125 -1.503 613 HD3 LYS 77 HD3 LYS 77 -9.464 -11.787 -3.201 614 HE2 LYS 77 HE2 LYS 77 -11.529 -10.482 -2.368 615 HE3 LYS 77 HE3 LYS 77 -10.929 -10.721 -0.731 616 HZ1 LYS 77 HZ1 LYS 77 -8.853 -9.557 -1.480 617 HZ2 LYS 77 HZ2 LYS 77 -9.606 -9.235 -2.923 618 HZ3 LYS 77 HZ3 LYS 77 -10.180 -8.600 -1.514 619 H ALA 78 H ALA 78 -13.436 -15.653 -4.159 620 HA ALA 78 HA ALA 78 -14.872 -15.356 -6.672 621 HB1 ALA 78 HB1 ALA 78 -16.696 -16.454 -5.399 622 HB2 ALA 78 HB2 ALA 78 -15.162 -17.327 -5.180 623 HB3 ALA 78 HB3 ALA 78 -15.776 -16.268 -3.890 624 H GLN 79 H GLN 79 -17.022 -14.224 -6.748 625 HA GLN 79 HA GLN 79 -16.931 -11.558 -5.696 626 HB2 GLN 79 HB2 GLN 79 -19.186 -11.301 -6.558 627 HB3 GLN 79 HB3 GLN 79 -18.133 -12.056 -7.753 628 HG2 GLN 79 HG2 GLN 79 -19.131 -14.285 -7.212 629 HG3 GLN 79 HG3 GLN 79 -20.196 -13.512 -6.036 630 HE21 GLN 79 HE22 GLN 79 -19.545 -13.958 -9.512 631 HE22 GLN 79 HE21 GLN 79 -21.030 -13.220 -10.064 632 H LEU 80 H LEU 80 -18.186 -10.589 -4.009 633 HA LEU 80 HA LEU 80 -19.414 -12.444 -2.030 634 HB2 LEU 80 HB2 LEU 80 -16.988 -12.078 -1.571 635 HB3 LEU 80 HB3 LEU 80 -17.284 -10.357 -1.371 636 HG LEU 80 HG LEU 80 -18.882 -12.371 0.260 637 HD11 LEU 80 HD11 LEU 80 -17.131 -12.335 2.002 638 HD12 LEU 80 HD12 LEU 80 -16.559 -13.091 0.512 639 HD13 LEU 80 HD13 LEU 80 -16.056 -11.433 0.901 640 HD21 LEU 80 HD21 LEU 80 -19.492 -9.967 0.468 641 HD22 LEU 80 HD22 LEU 80 -18.827 -10.583 1.980 642 HD23 LEU 80 HD23 LEU 80 -17.831 -9.573 0.911 643 H SER 81 H SER 81 -21.458 -11.779 -2.027 644 HA SER 81 HA SER 81 -22.391 -9.213 -2.831 645 HB2 SER 81 HB2 SER 81 -24.526 -10.229 -1.717 646 HB3 SER 81 HB3 SER 81 -23.844 -10.998 -3.166 647 HG SER 81 HG SER 81 -24.318 -12.552 -1.533 648 H LYS 82 H LYS 82 -22.060 -10.773 0.344 649 HA LYS 82 HA LYS 82 -22.130 -10.161 2.469 650 HB2 LYS 82 HB2 LYS 82 -20.524 -8.350 1.951 651 HB3 LYS 82 HB3 LYS 82 -21.859 -7.255 1.620 652 HG2 LYS 82 HG2 LYS 82 -20.913 -6.863 3.819 653 HG3 LYS 82 HG3 LYS 82 -22.605 -7.352 3.936 654 HD2 LYS 82 HD2 LYS 82 -21.950 -9.611 4.645 655 HD3 LYS 82 HD3 LYS 82 -20.236 -9.228 4.378 656 HE2 LYS 82 HE2 LYS 82 -20.306 -7.512 6.126 657 HE3 LYS 82 HE3 LYS 82 -22.050 -7.759 6.349 658 HZ1 LYS 82 HZ1 LYS 82 -19.946 -9.789 6.900 659 HZ2 LYS 82 HZ2 LYS 82 -20.759 -8.924 8.031 660 HZ3 LYS 82 HZ3 LYS 82 -21.564 -10.012 7.119 661 H ASP 83 H ASP 83 -24.228 -8.115 0.396 662 HA ASP 83 HA ASP 83 -26.554 -9.373 1.610 663 HB2 ASP 83 HB2 ASP 83 -26.436 -7.413 3.064 664 HB3 ASP 83 HB3 ASP 83 -26.171 -6.347 1.677 665 H LEU 84 H LEU 84 -28.244 -9.414 0.041 666 HA LEU 84 HA LEU 84 -28.129 -7.894 -2.392 667 HB2 LEU 84 HB2 LEU 84 -26.302 -9.594 -2.815 668 HB3 LEU 84 HB3 LEU 84 -27.492 -10.877 -2.616 669 HG LEU 84 HG LEU 84 -28.752 -9.877 -4.603 670 HD11 LEU 84 HD11 LEU 84 -26.202 -8.198 -4.835 671 HD12 LEU 84 HD12 LEU 84 -27.449 -8.353 -6.093 672 HD13 LEU 84 HD13 LEU 84 -27.846 -7.577 -4.560 673 HD21 LEU 84 HD21 LEU 84 -25.863 -10.736 -5.082 674 HD22 LEU 84 HD22 LEU 84 -27.251 -11.817 -4.841 675 HD23 LEU 84 HD23 LEU 84 -27.180 -10.781 -6.275 676 H ASP 85 H ASP 85 -29.279 -10.911 -0.791 677 HA ASP 85 HA ASP 85 -31.512 -11.331 -2.432 678 HB2 ASP 85 HB2 ASP 85 -30.527 -13.045 -1.005 679 HB3 ASP 85 HB3 ASP 85 -30.999 -12.154 0.446 680 H LYS 86 H LYS 86 -31.223 -9.284 0.478 681 HA LYS 86 HA LYS 86 -34.033 -9.145 1.041 682 HB2 LYS 86 HB2 LYS 86 -31.793 -7.258 1.814 683 HB3 LYS 86 HB3 LYS 86 -33.447 -7.178 2.412 684 HG2 LYS 86 HG2 LYS 86 -31.479 -9.469 2.831 685 HG3 LYS 86 HG3 LYS 86 -32.040 -8.267 3.995 686 HD2 LYS 86 HD2 LYS 86 -34.361 -9.185 3.798 687 HD3 LYS 86 HD3 LYS 86 -33.713 -10.484 2.756 688 HE2 LYS 86 HE2 LYS 86 -32.166 -11.175 4.556 689 HE3 LYS 86 HE3 LYS 86 -32.761 -9.866 5.582 690 HZ1 LYS 86 HZ1 LYS 86 -33.815 -11.979 6.126 691 HZ2 LYS 86 HZ2 LYS 86 -34.943 -10.934 5.582 692 HZ3 LYS 86 HZ3 LYS 86 -34.403 -12.143 4.614 693 H LEU 87 H LEU 87 -35.602 -7.668 0.447 694 HA LEU 87 HA LEU 87 -35.283 -6.173 -2.010 695 HB2 LEU 87 HB2 LEU 87 -37.471 -6.496 0.088 696 HB3 LEU 87 HB3 LEU 87 -37.585 -5.253 -1.109 697 HG LEU 87 HG LEU 87 -38.921 -7.126 -1.745 698 HD11 LEU 87 HD11 LEU 87 -37.804 -5.759 -3.504 699 HD12 LEU 87 HD12 LEU 87 -36.526 -6.994 -3.616 700 HD13 LEU 87 HD13 LEU 87 -38.201 -7.408 -4.024 701 HD21 LEU 87 HD21 LEU 87 -36.397 -8.814 -1.897 702 HD22 LEU 87 HD22 LEU 87 -37.640 -8.922 -0.630 703 HD23 LEU 87 HD23 LEU 87 -38.049 -9.311 -2.308 704 H VAL 88 H VAL 88 -35.697 -3.831 -2.121 705 HA VAL 88 HA VAL 88 -35.036 -2.238 0.268 706 HB VAL 88 HB VAL 88 -33.406 -0.892 -1.000 707 HG11 VAL 88 HG11 VAL 88 -32.531 -3.807 -0.964 708 HG12 VAL 88 HG12 VAL 88 -31.503 -2.363 -0.894 709 HG13 VAL 88 HG13 VAL 88 -32.587 -2.739 0.452 710 HG21 VAL 88 HG21 VAL 88 -32.440 -1.615 -3.093 711 HG22 VAL 88 HG22 VAL 88 -33.530 -3.018 -3.166 712 HG23 VAL 88 HG23 VAL 88 -34.181 -1.369 -3.282 713 HA PRO 89 HA PRO 89 -38.366 -0.012 -1.365 714 HB2 PRO 89 HB2 PRO 89 -38.247 2.369 -0.039 715 HB3 PRO 89 HB3 PRO 89 -38.295 0.802 0.822 716 HG2 PRO 89 HG2 PRO 89 -35.858 2.479 0.134 717 HG3 PRO 89 HG3 PRO 89 -36.308 1.804 1.732 718 HD2 PRO 89 HD2 PRO 89 -34.589 0.559 -0.003 719 HD3 PRO 89 HD3 PRO 89 -35.628 -0.359 1.105 720 H ARG 90 H ARG 90 -36.107 0.112 -3.175 721 HA ARG 90 HA ARG 90 -35.918 2.778 -4.396 722 HB2 ARG 90 HB2 ARG 90 -34.999 0.029 -5.328 723 HB3 ARG 90 HB3 ARG 90 -34.816 1.526 -6.254 724 HG2 ARG 90 HG2 ARG 90 -33.527 2.538 -4.353 725 HG3 ARG 90 HG3 ARG 90 -33.607 0.982 -3.501 726 HD2 ARG 90 HD2 ARG 90 -32.453 -0.105 -5.419 727 HD3 ARG 90 HD3 ARG 90 -32.383 1.475 -6.234 728 HE ARG 90 HE ARG 90 -31.219 1.762 -3.676 729 HH11 ARG 90 HH11 ARG 90 -30.486 0.118 -6.748 730 HH12 ARG 90 HH12 ARG 90 -28.776 0.136 -6.511 731 HH21 ARG 90 HH21 ARG 90 -28.944 1.773 -3.353 732 HH22 ARG 90 HH22 ARG 90 -27.883 1.116 -4.547 Start of MODEL 17 1 H1 MET 1 H1 MET 1 5.680 1.309 -3.071 2 H2 MET 1 H2 MET 1 7.088 0.563 -3.538 3 H3 MET 1 H3 MET 1 6.352 1.652 -4.520 4 HA MET 1 HA MET 1 6.069 -0.611 -5.267 5 HB2 MET 1 HB2 MET 1 4.813 -2.224 -4.113 6 HB3 MET 1 HB3 MET 1 5.999 -1.623 -2.978 7 HG2 MET 1 HG2 MET 1 4.205 -0.185 -1.952 8 HG3 MET 1 HG3 MET 1 3.037 -0.952 -3.011 9 HE1 MET 1 HE1 MET 1 3.009 -4.631 -1.681 10 HE2 MET 1 HE2 MET 1 2.182 -3.430 -2.705 11 HE3 MET 1 HE3 MET 1 3.834 -3.933 -3.088 12 H GLU 2 H GLU 2 3.682 -1.496 -5.959 13 HA GLU 2 HA GLU 2 2.192 0.930 -6.891 14 HB2 GLU 2 HB2 GLU 2 4.034 -1.034 -8.209 15 HB3 GLU 2 HB3 GLU 2 2.541 -0.879 -9.050 16 HG2 GLU 2 HG2 GLU 2 2.811 1.615 -9.119 17 HG3 GLU 2 HG3 GLU 2 4.345 1.450 -8.265 18 H ILE 3 H ILE 3 -0.031 0.546 -6.458 19 HA ILE 3 HA ILE 3 -0.968 -2.297 -6.301 20 HB ILE 3 HB ILE 3 -1.688 0.199 -4.727 21 HG12 ILE 3 HG12 ILE 3 -1.574 -1.279 -2.780 22 HG13 ILE 3 HG13 ILE 3 -1.167 -2.661 -3.787 23 HG21 ILE 3 HG21 ILE 3 -3.606 -1.006 -3.703 24 HG22 ILE 3 HG22 ILE 3 -3.878 -0.659 -5.400 25 HG23 ILE 3 HG23 ILE 3 -3.424 -2.304 -4.901 26 HD11 ILE 3 HD11 ILE 3 0.571 -0.174 -3.539 27 HD12 ILE 3 HD12 ILE 3 0.706 -1.594 -2.483 28 HD13 ILE 3 HD13 ILE 3 1.029 -1.767 -4.214 29 H GLU 4 H GLU 4 -2.999 -2.777 -7.297 30 HA GLU 4 HA GLU 4 -4.353 -0.679 -8.881 31 HB2 GLU 4 HB2 GLU 4 -2.863 -2.061 -10.344 32 HB3 GLU 4 HB3 GLU 4 -3.627 -3.500 -9.702 33 HG2 GLU 4 HG2 GLU 4 -4.493 -2.974 -11.837 34 HG3 GLU 4 HG3 GLU 4 -5.785 -2.818 -10.678 35 H ARG 5 H ARG 5 -6.590 -1.126 -9.131 36 HA ARG 5 HA ARG 5 -7.744 -3.217 -7.323 37 HB2 ARG 5 HB2 ARG 5 -8.310 -0.365 -7.455 38 HB3 ARG 5 HB3 ARG 5 -9.751 -1.264 -7.907 39 HG2 ARG 5 HG2 ARG 5 -8.132 -1.911 -5.415 40 HG3 ARG 5 HG3 ARG 5 -9.442 -0.747 -5.473 41 HD2 ARG 5 HD2 ARG 5 -11.053 -2.470 -6.156 42 HD3 ARG 5 HD3 ARG 5 -9.765 -3.686 -6.145 43 HE ARG 5 HE ARG 5 -10.218 -2.099 -3.668 44 HH11 ARG 5 HH11 ARG 5 -11.042 -5.206 -5.257 45 HH12 ARG 5 HH12 ARG 5 -11.252 -5.998 -3.713 46 HH21 ARG 5 HH21 ARG 5 -10.483 -3.130 -1.819 47 HH22 ARG 5 HH22 ARG 5 -10.885 -4.867 -1.741 48 H ILE 6 H ILE 6 -8.159 -4.877 -8.662 49 HA ILE 6 HA ILE 6 -8.642 -4.544 -11.497 50 HB ILE 6 HB ILE 6 -9.100 -6.948 -9.690 51 HG12 ILE 6 HG12 ILE 6 -6.821 -6.285 -9.379 52 HG13 ILE 6 HG13 ILE 6 -6.887 -7.678 -10.407 53 HG21 ILE 6 HG21 ILE 6 -8.775 -8.281 -11.763 54 HG22 ILE 6 HG22 ILE 6 -10.218 -7.268 -11.813 55 HG23 ILE 6 HG23 ILE 6 -8.768 -6.781 -12.713 56 HD11 ILE 6 HD11 ILE 6 -5.217 -6.142 -11.269 57 HD12 ILE 6 HD12 ILE 6 -6.559 -6.189 -12.418 58 HD13 ILE 6 HD13 ILE 6 -6.382 -4.820 -11.292 59 H ASN 7 H ASN 7 -10.589 -5.598 -8.707 60 HA ASN 7 HA ASN 7 -12.991 -4.237 -9.564 61 HB2 ASN 7 HB2 ASN 7 -14.414 -6.102 -9.972 62 HB3 ASN 7 HB3 ASN 7 -13.030 -6.302 -11.007 63 HD21 ASN 7 HD22 ASN 7 -14.297 -8.555 -10.905 64 HD22 ASN 7 HD21 ASN 7 -13.614 -9.683 -9.759 65 H GLU 8 H GLU 8 -14.823 -5.532 -7.928 66 HA GLU 8 HA GLU 8 -14.229 -4.461 -5.429 67 HB2 GLU 8 HB2 GLU 8 -16.465 -5.027 -6.590 68 HB3 GLU 8 HB3 GLU 8 -16.242 -6.671 -6.000 69 HG2 GLU 8 HG2 GLU 8 -17.744 -5.507 -4.534 70 HG3 GLU 8 HG3 GLU 8 -16.258 -5.765 -3.644 71 H HIS 9 H HIS 9 -13.104 -7.520 -6.627 72 HA HIS 9 HA HIS 9 -12.776 -8.617 -3.843 73 HB2 HIS 9 HB2 HIS 9 -13.312 -10.088 -6.454 74 HB3 HIS 9 HB3 HIS 9 -13.146 -10.800 -4.858 75 HD1 HIS 9 HD1 HIS 9 -15.839 -10.286 -7.061 76 HD2 HIS 9 HD2 HIS 9 -15.109 -9.128 -3.073 77 HE1 HIS 9 HE1 HIS 9 -18.109 -9.832 -6.016 78 H THR 10 H THR 10 -11.376 -8.657 -7.182 79 HA THR 10 HA THR 10 -8.870 -9.765 -6.138 80 HB THR 10 HB THR 10 -9.734 -8.893 -8.922 81 HG1 THR 10 HG1 THR 10 -10.274 -11.041 -9.190 82 HG21 THR 10 HG21 THR 10 -7.436 -10.748 -8.177 83 HG22 THR 10 HG22 THR 10 -7.895 -10.201 -9.802 84 HG23 THR 10 HG23 THR 10 -7.209 -9.061 -8.639 85 H VAL 11 H VAL 11 -6.973 -8.639 -5.968 86 HA VAL 11 HA VAL 11 -6.814 -5.885 -7.018 87 HB VAL 11 HB VAL 11 -5.524 -5.108 -5.105 88 HG11 VAL 11 HG11 VAL 11 -7.339 -4.770 -3.510 89 HG12 VAL 11 HG12 VAL 11 -7.963 -4.680 -5.164 90 HG13 VAL 11 HG13 VAL 11 -8.240 -6.138 -4.180 91 HG21 VAL 11 HG21 VAL 11 -4.678 -7.240 -4.181 92 HG22 VAL 11 HG22 VAL 11 -5.476 -6.264 -2.949 93 HG23 VAL 11 HG23 VAL 11 -6.331 -7.655 -3.644 94 H LYS 12 H LYS 12 -4.524 -5.393 -7.594 95 HA LYS 12 HA LYS 12 -2.711 -7.647 -7.191 96 HB2 LYS 12 HB2 LYS 12 -1.939 -7.927 -9.310 97 HB3 LYS 12 HB3 LYS 12 -3.673 -7.824 -9.585 98 HG2 LYS 12 HG2 LYS 12 -3.387 -5.512 -10.344 99 HG3 LYS 12 HG3 LYS 12 -1.637 -5.621 -10.079 100 HD2 LYS 12 HD2 LYS 12 -1.501 -7.526 -11.655 101 HD3 LYS 12 HD3 LYS 12 -3.245 -7.393 -12.000 102 HE2 LYS 12 HE2 LYS 12 -2.962 -5.168 -12.924 103 HE3 LYS 12 HE3 LYS 12 -1.333 -5.077 -12.233 104 HZ1 LYS 12 HZ1 LYS 12 -2.041 -6.967 -14.409 105 HZ2 LYS 12 HZ2 LYS 12 -1.318 -5.516 -14.646 106 HZ3 LYS 12 HZ3 LYS 12 -0.535 -6.663 -13.780 107 H PHE 13 H PHE 13 -0.427 -6.922 -7.558 108 HA PHE 13 HA PHE 13 -0.014 -4.052 -7.498 109 HB2 PHE 13 HB2 PHE 13 1.131 -4.044 -5.320 110 HB3 PHE 13 HB3 PHE 13 -0.551 -4.482 -5.152 111 HD1 PHE 13 HD2 PHE 13 -1.185 -6.880 -4.709 112 HD2 PHE 13 HD1 PHE 13 2.902 -5.512 -4.688 113 HE1 PHE 13 HE2 PHE 13 -0.543 -8.822 -3.308 114 HE2 PHE 13 HE1 PHE 13 3.534 -7.417 -3.257 115 HZ PHE 13 HZ PHE 13 1.800 -9.038 -2.484 116 H TYR 14 H TYR 14 2.415 -3.654 -7.305 117 HA TYR 14 HA TYR 14 4.045 -5.850 -8.431 118 HB2 TYR 14 HB2 TYR 14 3.397 -4.575 -10.321 119 HB3 TYR 14 HB3 TYR 14 3.615 -3.055 -9.494 120 HD1 TYR 14 HD1 TYR 14 5.394 -6.009 -10.872 121 HD2 TYR 14 HD2 TYR 14 5.759 -2.051 -9.245 122 HE1 TYR 14 HE1 TYR 14 7.743 -6.019 -11.545 123 HE2 TYR 14 HE2 TYR 14 8.209 -2.052 -9.831 124 HH TYR 14 HH TYR 14 9.740 -4.715 -11.716 125 H MET 15 H MET 15 6.010 -5.950 -7.553 126 HA MET 15 HA MET 15 6.711 -4.021 -5.378 127 HB2 MET 15 HB2 MET 15 5.618 -6.250 -4.655 128 HB3 MET 15 HB3 MET 15 7.073 -7.033 -5.281 129 HG2 MET 15 HG2 MET 15 7.475 -6.700 -3.014 130 HG3 MET 15 HG3 MET 15 8.362 -5.397 -3.789 131 HE1 MET 15 HE1 MET 15 7.800 -5.077 -0.592 132 HE2 MET 15 HE2 MET 15 6.065 -4.842 -0.197 133 HE3 MET 15 HE3 MET 15 6.617 -6.361 -0.930 134 H SER 16 H SER 16 8.652 -3.134 -5.969 135 HA SER 16 HA SER 16 10.381 -4.417 -7.956 136 HB2 SER 16 HB2 SER 16 10.989 -2.047 -6.183 137 HB3 SER 16 HB3 SER 16 11.740 -2.461 -7.734 138 HG SER 16 HG SER 16 10.169 -0.774 -7.935 139 H TYR 17 H TYR 17 12.540 -5.245 -7.422 140 HA TYR 17 HA TYR 17 12.801 -6.668 -5.000 141 HB2 TYR 17 HB2 TYR 17 15.023 -5.570 -6.752 142 HB3 TYR 17 HB3 TYR 17 15.197 -6.838 -5.542 143 HD1 TYR 17 HD1 TYR 17 12.444 -8.272 -6.293 144 HD2 TYR 17 HD2 TYR 17 15.867 -6.901 -8.556 145 HE1 TYR 17 HE1 TYR 17 12.034 -10.004 -7.963 146 HE2 TYR 17 HE2 TYR 17 15.434 -8.603 -10.262 147 HH TYR 17 HH TYR 17 14.035 -10.428 -10.921 148 H GLY 18 H GLY 18 13.896 -3.341 -5.743 149 HA2 GLY 18 HA2 GLY 18 15.281 -2.940 -3.326 150 HA3 GLY 18 HA3 GLY 18 14.594 -1.696 -4.342 151 H ASP 19 H ASP 19 11.750 -2.905 -3.926 152 HA ASP 19 HA ASP 19 11.061 -1.423 -1.508 153 HB2 ASP 19 HB2 ASP 19 9.601 -2.921 -3.639 154 HB3 ASP 19 HB3 ASP 19 8.930 -3.154 -2.053 155 H ILE 20 H ILE 20 11.703 -4.789 -2.374 156 HA ILE 20 HA ILE 20 10.815 -5.906 0.162 157 HB ILE 20 HB ILE 20 12.417 -7.040 -2.188 158 HG12 ILE 20 HG12 ILE 20 9.491 -7.526 -1.471 159 HG13 ILE 20 HG13 ILE 20 9.987 -6.257 -2.580 160 HG21 ILE 20 HG21 ILE 20 11.066 -8.548 0.084 161 HG22 ILE 20 HG22 ILE 20 11.921 -9.254 -1.297 162 HG23 ILE 20 HG23 ILE 20 12.826 -8.316 -0.101 163 HD11 ILE 20 HD11 ILE 20 9.295 -8.103 -3.887 164 HD12 ILE 20 HD12 ILE 20 11.041 -7.908 -4.074 165 HD13 ILE 20 HD13 ILE 20 10.399 -9.216 -3.044 166 H GLU 21 H GLU 21 13.948 -5.055 -1.373 167 HA GLU 21 HA GLU 21 15.720 -5.759 0.683 168 HB2 GLU 21 HB2 GLU 21 15.756 -3.488 -1.315 169 HB3 GLU 21 HB3 GLU 21 17.130 -3.859 -0.308 170 HG2 GLU 21 HG2 GLU 21 15.931 -6.064 -2.009 171 HG3 GLU 21 HG3 GLU 21 16.860 -4.780 -2.724 172 H ASP 22 H ASP 22 13.869 -2.735 0.174 173 HA ASP 22 HA ASP 22 15.047 -1.149 2.192 174 HB2 ASP 22 HB2 ASP 22 13.503 -0.311 0.438 175 HB3 ASP 22 HB3 ASP 22 12.162 -1.118 1.222 176 H ARG 23 H ARG 23 12.294 -3.291 2.265 177 HA ARG 23 HA ARG 23 11.634 -2.965 5.083 178 HB2 ARG 23 HB2 ARG 23 10.972 -5.158 3.076 179 HB3 ARG 23 HB3 ARG 23 10.263 -5.029 4.697 180 HG2 ARG 23 HG2 ARG 23 9.041 -3.117 4.201 181 HG3 ARG 23 HG3 ARG 23 9.997 -2.746 2.758 182 HD2 ARG 23 HD2 ARG 23 9.082 -4.643 1.544 183 HD3 ARG 23 HD3 ARG 23 8.270 -5.254 2.984 184 HE ARG 23 HE ARG 23 6.548 -3.856 2.671 185 HH11 ARG 23 HH11 ARG 23 9.227 -2.558 0.686 186 HH12 ARG 23 HH12 ARG 23 8.242 -1.361 -0.093 187 HH21 ARG 23 HH21 ARG 23 5.385 -2.174 1.929 188 HH22 ARG 23 HH22 ARG 23 5.964 -1.072 0.689 189 H GLY 24 H GLY 24 14.270 -4.447 3.526 190 HA2 GLY 24 HA2 GLY 24 16.018 -5.621 4.368 191 HA3 GLY 24 HA3 GLY 24 15.220 -5.680 5.942 192 H PHE 25 H PHE 25 13.284 -6.804 3.312 193 HA PHE 25 HA PHE 25 13.654 -9.667 4.043 194 HB2 PHE 25 HB2 PHE 25 11.668 -8.247 2.233 195 HB3 PHE 25 HB3 PHE 25 11.757 -9.994 2.427 196 HD1 PHE 25 HD2 PHE 25 11.421 -6.892 4.500 197 HD2 PHE 25 HD1 PHE 25 10.205 -10.995 4.001 198 HE1 PHE 25 HE2 PHE 25 9.974 -6.686 6.466 199 HE2 PHE 25 HE1 PHE 25 8.750 -10.776 5.966 200 HZ PHE 25 HZ PHE 25 8.615 -8.637 7.225 201 H ASP 26 H ASP 26 13.529 -10.989 1.682 202 HA ASP 26 HA ASP 26 15.436 -9.724 -0.224 203 HB2 ASP 26 HB2 ASP 26 16.487 -11.581 1.403 204 HB3 ASP 26 HB3 ASP 26 15.563 -12.652 0.392 205 H ARG 27 H ARG 27 14.971 -10.379 -2.401 206 HA ARG 27 HA ARG 27 12.254 -11.040 -2.906 207 HB2 ARG 27 HB2 ARG 27 12.891 -11.176 -5.251 208 HB3 ARG 27 HB3 ARG 27 13.736 -9.821 -4.498 209 HG2 ARG 27 HG2 ARG 27 15.814 -11.182 -4.344 210 HG3 ARG 27 HG3 ARG 27 14.966 -12.555 -5.085 211 HD2 ARG 27 HD2 ARG 27 14.587 -11.264 -7.119 212 HD3 ARG 27 HD3 ARG 27 15.417 -9.863 -6.418 213 HE ARG 27 HE ARG 27 17.423 -11.382 -6.183 214 HH11 ARG 27 HH11 ARG 27 15.126 -11.817 -8.878 215 HH12 ARG 27 HH12 ARG 27 16.278 -12.591 -9.907 216 HH21 ARG 27 HH21 ARG 27 18.943 -12.396 -7.560 217 HH22 ARG 27 HH22 ARG 27 18.501 -12.886 -9.154 218 H GLU 28 H GLU 28 15.050 -13.179 -2.445 219 HA GLU 28 HA GLU 28 13.463 -15.533 -3.279 220 HB2 GLU 28 HB2 GLU 28 16.186 -15.274 -1.978 221 HB3 GLU 28 HB3 GLU 28 15.425 -16.793 -2.415 222 HG2 GLU 28 HG2 GLU 28 15.275 -15.964 -4.798 223 HG3 GLU 28 HG3 GLU 28 16.243 -14.576 -4.320 224 H GLU 29 H GLU 29 14.774 -14.121 -0.237 225 HA GLU 29 HA GLU 29 13.948 -16.141 1.477 226 HB2 GLU 29 HB2 GLU 29 14.250 -13.149 1.962 227 HB3 GLU 29 HB3 GLU 29 14.032 -14.232 3.270 228 HG2 GLU 29 HG2 GLU 29 16.317 -14.753 1.370 229 HG3 GLU 29 HG3 GLU 29 16.387 -13.510 2.602 230 H ILE 30 H ILE 30 12.095 -13.399 0.387 231 HA ILE 30 HA ILE 30 9.712 -13.567 1.836 232 HB ILE 30 HB ILE 30 10.246 -13.115 -1.095 233 HG12 ILE 30 HG12 ILE 30 10.873 -11.470 0.846 234 HG13 ILE 30 HG13 ILE 30 10.212 -10.919 -0.665 235 HG21 ILE 30 HG21 ILE 30 7.947 -12.207 -1.357 236 HG22 ILE 30 HG22 ILE 30 7.991 -13.959 -1.171 237 HG23 ILE 30 HG23 ILE 30 7.493 -12.955 0.199 238 HD11 ILE 30 HD11 ILE 30 9.288 -9.748 1.377 239 HD12 ILE 30 HD12 ILE 30 8.022 -10.501 0.413 240 HD13 ILE 30 HD13 ILE 30 8.582 -11.286 1.908 241 H TRP 31 H TRP 31 10.596 -15.617 -1.011 242 HA TRP 31 HA TRP 31 8.158 -17.161 -0.798 243 HB2 TRP 31 HB2 TRP 31 10.641 -17.662 -2.446 244 HB3 TRP 31 HB3 TRP 31 9.071 -18.398 -2.711 245 HD1 TRP 31 HD1 TRP 31 11.095 -15.797 -4.063 246 HE1 TRP 31 HE1 TRP 31 9.808 -13.876 -5.151 247 HE3 TRP 31 HE3 TRP 31 6.378 -16.979 -2.448 248 HZ2 TRP 31 HZ2 TRP 31 7.090 -12.813 -5.068 249 HZ3 TRP 31 HZ3 TRP 31 4.450 -15.544 -3.053 250 HH2 TRP 31 HH2 TRP 31 4.793 -13.441 -4.337 251 H TYR 32 H TYR 32 11.173 -17.455 0.818 252 HA TYR 32 HA TYR 32 10.835 -20.403 1.137 253 HB2 TYR 32 HB2 TYR 32 13.371 -18.733 1.148 254 HB3 TYR 32 HB3 TYR 32 13.285 -20.482 1.311 255 HD1 TYR 32 HD1 TYR 32 11.623 -21.589 -0.626 256 HD2 TYR 32 HD2 TYR 32 14.138 -18.111 -1.000 257 HE1 TYR 32 HE1 TYR 32 11.603 -21.849 -3.070 258 HE2 TYR 32 HE2 TYR 32 14.021 -18.281 -3.458 259 HH TYR 32 HH TYR 32 12.261 -20.947 -5.141 260 H ASN 33 H ASN 33 10.134 -17.754 2.874 261 HA ASN 33 HA ASN 33 10.480 -19.162 5.473 262 HB2 ASN 33 HB2 ASN 33 10.907 -16.228 4.765 263 HB3 ASN 33 HB3 ASN 33 10.754 -16.828 6.400 264 HD21 ASN 33 HD22 ASN 33 12.723 -16.564 3.599 265 HD22 ASN 33 HD21 ASN 33 14.249 -17.094 4.276 266 H ARG 34 H ARG 34 8.278 -19.906 5.206 267 HA ARG 34 HA ARG 34 6.295 -18.681 3.786 268 HB2 ARG 34 HB2 ARG 34 6.174 -20.963 4.526 269 HB3 ARG 34 HB3 ARG 34 6.031 -20.478 6.222 270 HG2 ARG 34 HG2 ARG 34 3.833 -19.553 5.872 271 HG3 ARG 34 HG3 ARG 34 3.976 -19.697 4.109 272 HD2 ARG 34 HD2 ARG 34 4.044 -22.155 4.310 273 HD3 ARG 34 HD3 ARG 34 3.982 -22.018 6.083 274 HE ARG 34 HE ARG 34 1.766 -20.621 4.987 275 HH11 ARG 34 HH11 ARG 34 2.896 -23.973 5.339 276 HH12 ARG 34 HH12 ARG 34 1.309 -24.658 5.358 277 HH21 ARG 34 HH21 ARG 34 -0.350 -21.524 5.019 278 HH22 ARG 34 HH22 ARG 34 -0.581 -23.226 5.165 279 H GLU 35 H GLU 35 6.966 -18.015 7.249 280 HA GLU 35 HA GLU 35 4.515 -16.467 7.475 281 HB2 GLU 35 HB2 GLU 35 5.262 -15.919 9.707 282 HB3 GLU 35 HB3 GLU 35 5.360 -17.649 9.449 283 HG2 GLU 35 HG2 GLU 35 7.779 -15.790 9.305 284 HG3 GLU 35 HG3 GLU 35 7.231 -16.566 10.773 285 H ARG 36 H ARG 36 7.859 -15.847 6.566 286 HA ARG 36 HA ARG 36 7.619 -12.939 6.863 287 HB2 ARG 36 HB2 ARG 36 9.769 -14.658 5.630 288 HB3 ARG 36 HB3 ARG 36 9.819 -12.939 5.793 289 HG2 ARG 36 HG2 ARG 36 10.007 -15.018 7.968 290 HG3 ARG 36 HG3 ARG 36 11.107 -13.698 7.586 291 HD2 ARG 36 HD2 ARG 36 9.424 -12.054 8.419 292 HD3 ARG 36 HD3 ARG 36 8.353 -13.403 8.851 293 HE ARG 36 HE ARG 36 10.997 -13.618 10.022 294 HH11 ARG 36 HH11 ARG 36 7.740 -12.159 10.468 295 HH12 ARG 36 HH12 ARG 36 7.929 -12.012 12.182 296 HH21 ARG 36 HH21 ARG 36 11.188 -13.420 12.299 297 HH22 ARG 36 HH22 ARG 36 9.913 -12.742 13.242 298 H SER 37 H SER 37 6.881 -15.412 4.451 299 HA SER 37 HA SER 37 6.740 -13.526 2.277 300 HB2 SER 37 HB2 SER 37 4.617 -15.579 2.265 301 HB3 SER 37 HB3 SER 37 5.797 -15.166 1.038 302 HG SER 37 HG SER 37 7.326 -16.372 2.141 303 H GLU 38 H GLU 38 4.350 -14.790 4.649 304 HA GLU 38 HA GLU 38 2.125 -13.573 3.764 305 HB2 GLU 38 HB2 GLU 38 2.690 -15.274 5.747 306 HB3 GLU 38 HB3 GLU 38 2.486 -13.820 6.738 307 HG2 GLU 38 HG2 GLU 38 0.274 -13.465 5.609 308 HG3 GLU 38 HG3 GLU 38 0.496 -14.969 4.731 309 H GLU 39 H GLU 39 4.593 -11.952 5.773 310 HA GLU 39 HA GLU 39 3.122 -9.784 6.716 311 HB2 GLU 39 HB2 GLU 39 5.922 -9.340 5.709 312 HB3 GLU 39 HB3 GLU 39 5.211 -8.834 7.222 313 HG2 GLU 39 HG2 GLU 39 6.128 -11.636 6.570 314 HG3 GLU 39 HG3 GLU 39 7.060 -10.438 7.371 315 H LEU 40 H LEU 40 4.596 -10.310 3.556 316 HA LEU 40 HA LEU 40 4.386 -7.655 2.540 317 HB2 LEU 40 HB2 LEU 40 5.885 -9.214 1.578 318 HB3 LEU 40 HB3 LEU 40 4.618 -10.375 1.276 319 HG LEU 40 HG LEU 40 5.756 -8.790 -0.579 320 HD11 LEU 40 HD11 LEU 40 4.491 -10.794 -0.995 321 HD12 LEU 40 HD12 LEU 40 2.964 -9.932 -0.714 322 HD13 LEU 40 HD13 LEU 40 4.022 -9.505 -2.091 323 HD21 LEU 40 HD21 LEU 40 3.079 -7.429 -0.418 324 HD22 LEU 40 HD22 LEU 40 4.509 -6.726 0.393 325 HD23 LEU 40 HD23 LEU 40 4.504 -7.029 -1.357 326 H PHE 41 H PHE 41 2.311 -10.512 2.263 327 HA PHE 41 HA PHE 41 0.307 -9.297 0.663 328 HB2 PHE 41 HB2 PHE 41 0.075 -11.717 2.496 329 HB3 PHE 41 HB3 PHE 41 -0.981 -11.320 1.151 330 HD1 PHE 41 HD2 PHE 41 2.455 -12.280 2.101 331 HD2 PHE 41 HD1 PHE 41 -0.247 -11.725 -1.196 332 HE1 PHE 41 HE2 PHE 41 4.099 -13.380 0.576 333 HE2 PHE 41 HE1 PHE 41 1.397 -12.818 -2.710 334 HZ PHE 41 HZ PHE 41 3.553 -13.655 -1.829 335 H TRP 42 H TRP 42 0.762 -9.641 4.201 336 HA TRP 42 HA TRP 42 -1.747 -8.519 4.933 337 HB2 TRP 42 HB2 TRP 42 0.902 -8.883 6.305 338 HB3 TRP 42 HB3 TRP 42 -0.298 -7.857 7.050 339 HD1 TRP 42 HD1 TRP 42 0.667 -11.385 6.864 340 HE1 TRP 42 HE1 TRP 42 -1.129 -12.952 7.740 341 HE3 TRP 42 HE3 TRP 42 -3.236 -8.073 6.981 342 HZ2 TRP 42 HZ2 TRP 42 -3.982 -12.804 8.360 343 HZ3 TRP 42 HZ3 TRP 42 -5.505 -8.834 7.646 344 HH2 TRP 42 HH2 TRP 42 -5.890 -11.190 8.324 345 H GLU 43 H GLU 43 1.311 -6.828 3.942 346 HA GLU 43 HA GLU 43 0.390 -4.241 4.778 347 HB2 GLU 43 HB2 GLU 43 2.237 -5.003 2.452 348 HB3 GLU 43 HB3 GLU 43 1.942 -3.372 3.020 349 HG2 GLU 43 HG2 GLU 43 2.948 -3.886 5.180 350 HG3 GLU 43 HG3 GLU 43 3.210 -5.558 4.702 351 H VAL 44 H VAL 44 0.094 -6.009 1.609 352 HA VAL 44 HA VAL 44 -1.129 -3.772 0.350 353 HB VAL 44 HB VAL 44 -1.710 -5.483 -1.366 354 HG11 VAL 44 HG11 VAL 44 0.436 -4.134 -1.304 355 HG12 VAL 44 HG12 VAL 44 1.201 -5.475 -0.391 356 HG13 VAL 44 HG13 VAL 44 0.658 -5.725 -2.053 357 HG21 VAL 44 HG21 VAL 44 -0.625 -7.664 -1.302 358 HG22 VAL 44 HG22 VAL 44 -0.030 -7.324 0.307 359 HG23 VAL 44 HG23 VAL 44 -1.790 -7.540 -0.008 360 H MET 45 H MET 45 -2.445 -6.710 1.867 361 HA MET 45 HA MET 45 -5.169 -6.192 1.393 362 HB2 MET 45 HB2 MET 45 -4.243 -8.344 2.131 363 HB3 MET 45 HB3 MET 45 -3.755 -7.616 3.666 364 HG2 MET 45 HG2 MET 45 -5.850 -8.922 3.835 365 HG3 MET 45 HG3 MET 45 -5.949 -7.225 4.309 366 HE1 MET 45 HE1 MET 45 -6.734 -9.784 1.340 367 HE2 MET 45 HE2 MET 45 -7.732 -8.765 0.273 368 HE3 MET 45 HE3 MET 45 -6.006 -8.412 0.470 369 H ASP 46 H ASP 46 -2.929 -5.058 4.011 370 HA ASP 46 HA ASP 46 -4.893 -3.695 5.549 371 HB2 ASP 46 HB2 ASP 46 -2.639 -4.165 6.408 372 HB3 ASP 46 HB3 ASP 46 -1.929 -3.099 5.217 373 H GLU 47 H GLU 47 -2.855 -2.637 2.780 374 HA GLU 47 HA GLU 47 -3.586 0.073 2.775 375 HB2 GLU 47 HB2 GLU 47 -1.544 -0.632 1.843 376 HB3 GLU 47 HB3 GLU 47 -2.266 -1.962 0.973 377 HG2 GLU 47 HG2 GLU 47 -1.502 -0.398 -0.527 378 HG3 GLU 47 HG3 GLU 47 -3.252 -0.551 -0.639 379 H VAL 48 H VAL 48 -5.531 -2.640 2.057 380 HA VAL 48 HA VAL 48 -7.478 -0.886 0.627 381 HB VAL 48 HB VAL 48 -8.264 -2.740 -0.686 382 HG11 VAL 48 HG11 VAL 48 -6.350 -1.381 -1.531 383 HG12 VAL 48 HG12 VAL 48 -5.232 -2.605 -0.892 384 HG13 VAL 48 HG13 VAL 48 -6.374 -3.033 -2.186 385 HG21 VAL 48 HG21 VAL 48 -7.279 -4.934 -0.750 386 HG22 VAL 48 HG22 VAL 48 -6.016 -4.464 0.404 387 HG23 VAL 48 HG23 VAL 48 -7.683 -4.601 0.943 388 H HIS 49 H HIS 49 -6.858 -2.319 3.494 389 HA HIS 49 HA HIS 49 -8.874 -4.010 3.885 390 HB2 HIS 49 HB2 HIS 49 -6.869 -3.121 5.452 391 HB3 HIS 49 HB3 HIS 49 -8.227 -2.464 6.345 392 HD1 HIS 49 HD1 HIS 49 -8.745 -4.272 8.244 393 HD2 HIS 49 HD2 HIS 49 -7.684 -5.827 4.482 394 HE1 HIS 49 HE1 HIS 49 -8.903 -6.808 8.457 395 H GLU 50 H GLU 50 -9.423 -0.532 3.972 396 HA GLU 50 HA GLU 50 -11.866 -0.561 5.439 397 HB2 GLU 50 HB2 GLU 50 -10.924 1.261 3.184 398 HB3 GLU 50 HB3 GLU 50 -12.362 1.546 4.171 399 HG2 GLU 50 HG2 GLU 50 -10.938 1.600 6.221 400 HG3 GLU 50 HG3 GLU 50 -9.500 1.410 5.216 401 H GLU 51 H GLU 51 -11.130 -1.738 2.225 402 HA GLU 51 HA GLU 51 -13.953 -1.784 1.355 403 HB2 GLU 51 HB2 GLU 51 -11.376 -2.678 0.033 404 HB3 GLU 51 HB3 GLU 51 -12.969 -2.800 -0.708 405 HG2 GLU 51 HG2 GLU 51 -13.280 -0.408 -0.675 406 HG3 GLU 51 HG3 GLU 51 -11.796 -0.171 0.236 407 H GLU 52 H GLU 52 -11.917 -3.697 3.292 408 HA GLU 52 HA GLU 52 -12.853 -6.316 2.204 409 HB2 GLU 52 HB2 GLU 52 -10.186 -5.366 3.187 410 HB3 GLU 52 HB3 GLU 52 -10.531 -7.038 2.857 411 HG2 GLU 52 HG2 GLU 52 -10.665 -4.772 0.826 412 HG3 GLU 52 HG3 GLU 52 -9.385 -5.940 1.023 413 H GLU 53 H GLU 53 -12.232 -4.460 5.191 414 HA GLU 53 HA GLU 53 -11.951 -6.569 6.957 415 HB2 GLU 53 HB2 GLU 53 -12.575 -5.007 8.712 416 HB3 GLU 53 HB3 GLU 53 -11.506 -4.256 7.534 417 HG2 GLU 53 HG2 GLU 53 -13.451 -3.112 6.482 418 HG3 GLU 53 HG3 GLU 53 -14.530 -3.871 7.654 419 H PHE 54 H PHE 54 -14.928 -5.471 5.454 420 HA PHE 54 HA PHE 54 -16.709 -6.941 7.229 421 HB2 PHE 54 HB2 PHE 54 -17.249 -4.823 5.975 422 HB3 PHE 54 HB3 PHE 54 -17.192 -5.732 4.476 423 HD1 PHE 54 HD1 PHE 54 -18.907 -5.649 7.832 424 HD2 PHE 54 HD2 PHE 54 -19.212 -6.699 3.654 425 HE1 PHE 54 HE1 PHE 54 -21.312 -6.173 8.132 426 HE2 PHE 54 HE2 PHE 54 -21.614 -7.228 3.966 427 HZ PHE 54 HZ PHE 54 -22.669 -6.962 6.205 428 H ALA 55 H ALA 55 -14.588 -7.938 4.744 429 HA ALA 55 HA ALA 55 -16.340 -10.193 3.865 430 HB1 ALA 55 HB1 ALA 55 -14.521 -8.424 2.178 431 HB2 ALA 55 HB2 ALA 55 -15.532 -9.767 1.597 432 HB3 ALA 55 HB3 ALA 55 -16.295 -8.314 2.263 433 H VAL 56 H VAL 56 -13.142 -9.415 5.108 434 HA VAL 56 HA VAL 56 -11.915 -11.729 3.948 435 HB VAL 56 HB VAL 56 -10.108 -11.343 5.690 436 HG11 VAL 56 HG11 VAL 56 -9.926 -10.358 3.487 437 HG12 VAL 56 HG12 VAL 56 -10.918 -8.973 3.975 438 HG13 VAL 56 HG13 VAL 56 -9.321 -9.228 4.705 439 HG21 VAL 56 HG21 VAL 56 -10.139 -9.355 7.063 440 HG22 VAL 56 HG22 VAL 56 -11.738 -8.884 6.458 441 HG23 VAL 56 HG23 VAL 56 -11.556 -10.336 7.466 442 H GLU 57 H GLU 57 -14.391 -11.797 5.972 443 HA GLU 57 HA GLU 57 -13.939 -14.262 7.367 444 HB2 GLU 57 HB2 GLU 57 -16.465 -14.429 7.053 445 HB3 GLU 57 HB3 GLU 57 -15.901 -12.978 7.892 446 HG2 GLU 57 HG2 GLU 57 -16.205 -11.598 5.949 447 HG3 GLU 57 HG3 GLU 57 -16.406 -12.977 4.894 448 H GLY 58 H GLY 58 -14.101 -13.461 4.024 449 HA2 GLY 58 HA2 GLY 58 -14.751 -16.216 3.147 450 HA3 GLY 58 HA3 GLY 58 -14.594 -14.752 2.176 451 HA PRO 59 HA PRO 59 -10.753 -17.436 1.961 452 HB2 PRO 59 HB2 PRO 59 -10.714 -18.057 -0.683 453 HB3 PRO 59 HB3 PRO 59 -11.743 -18.918 0.498 454 HG2 PRO 59 HG2 PRO 59 -12.539 -16.629 -1.336 455 HG3 PRO 59 HG3 PRO 59 -13.363 -18.204 -1.066 456 HD2 PRO 59 HD2 PRO 59 -14.143 -15.956 0.240 457 HD3 PRO 59 HD3 PRO 59 -14.185 -17.576 0.998 458 H LEU 60 H LEU 60 -8.768 -17.131 0.599 459 HA LEU 60 HA LEU 60 -8.547 -14.712 -1.010 460 HB2 LEU 60 HB2 LEU 60 -7.782 -14.099 1.372 461 HB3 LEU 60 HB3 LEU 60 -6.517 -15.328 1.163 462 HG LEU 60 HG LEU 60 -5.540 -14.047 -0.706 463 HD11 LEU 60 HD11 LEU 60 -7.742 -12.013 -0.126 464 HD12 LEU 60 HD12 LEU 60 -6.300 -11.691 -1.115 465 HD13 LEU 60 HD13 LEU 60 -7.481 -12.888 -1.647 466 HD21 LEU 60 HD21 LEU 60 -5.988 -12.364 1.791 467 HD22 LEU 60 HD22 LEU 60 -4.763 -13.634 1.590 468 HD23 LEU 60 HD23 LEU 60 -4.674 -12.162 0.610 469 H TRP 61 H TRP 61 -6.820 -14.958 -2.508 470 HA TRP 61 HA TRP 61 -5.567 -17.634 -2.789 471 HB2 TRP 61 HB2 TRP 61 -7.285 -15.998 -4.654 472 HB3 TRP 61 HB3 TRP 61 -6.383 -17.316 -5.283 473 HD1 TRP 61 HD1 TRP 61 -9.443 -16.362 -3.266 474 HE1 TRP 61 HE1 TRP 61 -11.061 -18.366 -3.045 475 HE3 TRP 61 HE3 TRP 61 -6.468 -19.957 -5.251 476 HZ2 TRP 61 HZ2 TRP 61 -11.032 -21.209 -3.680 477 HZ3 TRP 61 HZ3 TRP 61 -7.264 -22.326 -5.454 478 HH2 TRP 61 HH2 TRP 61 -9.539 -22.947 -4.667 479 H ILE 62 H ILE 62 -3.648 -17.462 -4.247 480 HA ILE 62 HA ILE 62 -2.708 -14.677 -4.687 481 HB ILE 62 HB ILE 62 -0.914 -16.830 -3.565 482 HG12 ILE 62 HG12 ILE 62 -2.658 -16.620 -1.829 483 HG13 ILE 62 HG13 ILE 62 -1.058 -16.153 -1.322 484 HG21 ILE 62 HG21 ILE 62 -0.698 -13.781 -3.481 485 HG22 ILE 62 HG22 ILE 62 0.473 -14.954 -2.840 486 HG23 ILE 62 HG23 ILE 62 0.172 -14.868 -4.578 487 HD11 ILE 62 HD11 ILE 62 -2.802 -14.697 -0.379 488 HD12 ILE 62 HD12 ILE 62 -1.638 -13.784 -1.350 489 HD13 ILE 62 HD13 ILE 62 -3.247 -14.149 -1.995 490 H GLN 63 H GLN 63 -1.518 -14.404 -6.500 491 HA GLN 63 HA GLN 63 -0.296 -16.675 -7.957 492 HB2 GLN 63 HB2 GLN 63 -2.482 -16.206 -9.025 493 HB3 GLN 63 HB3 GLN 63 -2.129 -14.496 -9.045 494 HG2 GLN 63 HG2 GLN 63 -0.108 -15.139 -10.604 495 HG3 GLN 63 HG3 GLN 63 -0.950 -16.683 -10.779 496 HE21 GLN 63 HE22 GLN 63 -3.307 -16.480 -11.626 497 HE22 GLN 63 HE21 GLN 63 -3.657 -15.150 -12.704 498 H VAL 64 H VAL 64 1.628 -15.858 -9.178 499 HA VAL 64 HA VAL 64 2.470 -13.086 -8.538 500 HB VAL 64 HB VAL 64 3.193 -14.604 -6.724 501 HG11 VAL 64 HG11 VAL 64 4.998 -16.199 -7.048 502 HG12 VAL 64 HG12 VAL 64 3.588 -16.674 -7.998 503 HG13 VAL 64 HG13 VAL 64 4.983 -15.924 -8.805 504 HG21 VAL 64 HG21 VAL 64 5.528 -13.874 -6.665 505 HG22 VAL 64 HG22 VAL 64 5.437 -13.322 -8.323 506 HG23 VAL 64 HG23 VAL 64 4.416 -12.564 -7.073 507 H GLN 65 H GLN 65 4.271 -12.384 -9.941 508 HA GLN 65 HA GLN 65 5.188 -14.213 -12.074 509 HB2 GLN 65 HB2 GLN 65 4.357 -11.282 -12.438 510 HB3 GLN 65 HB3 GLN 65 5.426 -12.137 -13.526 511 HG2 GLN 65 HG2 GLN 65 3.535 -12.432 -14.697 512 HG3 GLN 65 HG3 GLN 65 3.458 -13.856 -13.664 513 HE21 GLN 65 HE22 GLN 65 1.846 -13.961 -12.061 514 HE22 GLN 65 HE21 GLN 65 0.390 -12.960 -12.172 515 H ALA 66 H ALA 66 7.455 -13.795 -12.440 516 HA ALA 66 HA ALA 66 8.702 -11.713 -10.693 517 HB1 ALA 66 HB1 ALA 66 9.369 -13.969 -9.969 518 HB2 ALA 66 HB2 ALA 66 9.935 -14.334 -11.617 519 HB3 ALA 66 HB3 ALA 66 10.722 -13.057 -10.660 520 H LEU 67 H LEU 67 9.685 -10.160 -11.748 521 HA LEU 67 HA LEU 67 9.775 -10.166 -14.720 522 HB2 LEU 67 HB2 LEU 67 8.980 -7.968 -12.747 523 HB3 LEU 67 HB3 LEU 67 9.157 -7.753 -14.461 524 HG LEU 67 HG LEU 67 7.386 -9.840 -14.483 525 HD11 LEU 67 HD11 LEU 67 5.631 -9.404 -12.849 526 HD12 LEU 67 HD12 LEU 67 7.114 -10.008 -12.129 527 HD13 LEU 67 HD13 LEU 67 6.736 -8.267 -12.020 528 HD21 LEU 67 HD21 LEU 67 5.626 -8.150 -14.860 529 HD22 LEU 67 HD22 LEU 67 6.647 -6.901 -14.109 530 HD23 LEU 67 HD23 LEU 67 7.124 -7.639 -15.658 531 H ASP 68 H ASP 68 11.160 -7.868 -15.169 532 HA ASP 68 HA ASP 68 13.717 -8.939 -14.934 533 HB2 ASP 68 HB2 ASP 68 12.935 -7.375 -16.708 534 HB3 ASP 68 HB3 ASP 68 13.081 -6.042 -15.559 535 H LYS 69 H LYS 69 12.305 -6.373 -12.885 536 HA LYS 69 HA LYS 69 14.540 -6.730 -10.970 537 HB2 LYS 69 HB2 LYS 69 13.613 -4.058 -11.996 538 HB3 LYS 69 HB3 LYS 69 14.711 -4.265 -10.636 539 HG2 LYS 69 HG2 LYS 69 15.291 -5.119 -13.479 540 HG3 LYS 69 HG3 LYS 69 15.860 -3.657 -12.711 541 HD2 LYS 69 HD2 LYS 69 17.125 -4.956 -11.031 542 HD3 LYS 69 HD3 LYS 69 16.587 -6.464 -11.723 543 HE2 LYS 69 HE2 LYS 69 18.175 -4.374 -13.275 544 HE3 LYS 69 HE3 LYS 69 18.893 -5.757 -12.440 545 HZ1 LYS 69 HZ1 LYS 69 18.555 -6.263 -14.763 546 HZ2 LYS 69 HZ2 LYS 69 17.571 -7.222 -13.876 547 HZ3 LYS 69 HZ3 LYS 69 16.953 -5.943 -14.697 548 H GLY 70 H GLY 70 11.695 -7.612 -10.971 549 HA2 GLY 70 HA2 GLY 70 10.931 -6.903 -8.321 550 HA3 GLY 70 HA3 GLY 70 10.010 -5.934 -9.460 551 H LEU 71 H LEU 71 8.286 -7.310 -8.340 552 HA LEU 71 HA LEU 71 7.655 -9.657 -10.070 553 HB2 LEU 71 HB2 LEU 71 7.230 -9.485 -7.051 554 HB3 LEU 71 HB3 LEU 71 6.648 -10.763 -8.077 555 HG LEU 71 HG LEU 71 9.465 -10.622 -8.605 556 HD11 LEU 71 HD11 LEU 71 9.633 -9.258 -6.566 557 HD12 LEU 71 HD12 LEU 71 8.832 -10.539 -5.626 558 HD13 LEU 71 HD13 LEU 71 10.433 -10.834 -6.355 559 HD21 LEU 71 HD21 LEU 71 8.068 -12.660 -8.622 560 HD22 LEU 71 HD22 LEU 71 9.573 -12.833 -7.693 561 HD23 LEU 71 HD23 LEU 71 8.018 -12.622 -6.872 562 H GLU 72 H GLU 72 5.448 -9.817 -10.524 563 HA GLU 72 HA GLU 72 3.664 -7.707 -9.382 564 HB2 GLU 72 HB2 GLU 72 3.257 -9.484 -11.815 565 HB3 GLU 72 HB3 GLU 72 1.932 -8.716 -10.965 566 HG2 GLU 72 HG2 GLU 72 2.910 -6.476 -11.352 567 HG3 GLU 72 HG3 GLU 72 4.200 -7.222 -12.295 568 H ILE 73 H ILE 73 1.925 -8.393 -8.138 569 HA ILE 73 HA ILE 73 1.712 -11.285 -7.614 570 HB ILE 73 HB ILE 73 1.513 -9.094 -5.557 571 HG12 ILE 73 HG12 ILE 73 3.433 -10.044 -4.348 572 HG13 ILE 73 HG13 ILE 73 3.848 -11.049 -5.654 573 HG21 ILE 73 HG21 ILE 73 0.109 -11.111 -5.135 574 HG22 ILE 73 HG22 ILE 73 1.555 -12.133 -5.234 575 HG23 ILE 73 HG23 ILE 73 1.372 -10.940 -3.923 576 HD11 ILE 73 HD11 ILE 73 3.747 -8.026 -5.985 577 HD12 ILE 73 HD12 ILE 73 5.147 -8.854 -5.269 578 HD13 ILE 73 HD13 ILE 73 4.678 -9.220 -6.922 579 H ILE 74 H ILE 74 -0.413 -11.903 -7.740 580 HA ILE 74 HA ILE 74 -2.584 -9.837 -7.971 581 HB ILE 74 HB ILE 74 -2.068 -12.416 -9.506 582 HG12 ILE 74 HG12 ILE 74 -2.479 -11.167 -11.538 583 HG13 ILE 74 HG13 ILE 74 -2.695 -9.676 -10.654 584 HG21 ILE 74 HG21 ILE 74 -4.392 -12.474 -8.844 585 HG22 ILE 74 HG22 ILE 74 -4.647 -10.790 -9.377 586 HG23 ILE 74 HG23 ILE 74 -4.321 -12.086 -10.551 587 HD11 ILE 74 HD11 ILE 74 -0.337 -9.572 -10.142 588 HD12 ILE 74 HD12 ILE 74 -0.090 -11.263 -10.667 589 HD13 ILE 74 HD13 ILE 74 -0.486 -9.986 -11.845 590 H VAL 75 H VAL 75 -4.332 -10.302 -6.511 591 HA VAL 75 HA VAL 75 -4.318 -12.955 -5.286 592 HB VAL 75 HB VAL 75 -4.732 -12.045 -3.035 593 HG11 VAL 75 HG11 VAL 75 -2.431 -11.530 -2.467 594 HG12 VAL 75 HG12 VAL 75 -2.470 -12.763 -3.745 595 HG13 VAL 75 HG13 VAL 75 -2.052 -11.085 -4.142 596 HG21 VAL 75 HG21 VAL 75 -4.029 -9.789 -2.481 597 HG22 VAL 75 HG22 VAL 75 -3.742 -9.429 -4.197 598 HG23 VAL 75 HG23 VAL 75 -5.405 -9.760 -3.615 599 H THR 76 H THR 76 -6.319 -13.814 -4.893 600 HA THR 76 HA THR 76 -8.502 -12.336 -6.283 601 HB THR 76 HB THR 76 -8.783 -14.075 -7.802 602 HG1 THR 76 HG1 THR 76 -7.982 -16.073 -7.723 603 HG21 THR 76 HG21 THR 76 -6.679 -14.395 -8.966 604 HG22 THR 76 HG22 THR 76 -6.594 -12.795 -8.218 605 HG23 THR 76 HG23 THR 76 -5.744 -14.186 -7.474 606 H LYS 77 H LYS 77 -10.603 -13.821 -6.257 607 HA LYS 77 HA LYS 77 -10.952 -15.216 -3.669 608 HB2 LYS 77 HB2 LYS 77 -12.811 -13.094 -4.759 609 HB3 LYS 77 HB3 LYS 77 -13.089 -14.113 -3.339 610 HG2 LYS 77 HG2 LYS 77 -10.789 -13.219 -2.477 611 HG3 LYS 77 HG3 LYS 77 -10.996 -11.974 -3.712 612 HD2 LYS 77 HD2 LYS 77 -13.366 -11.632 -2.611 613 HD3 LYS 77 HD3 LYS 77 -12.718 -12.750 -1.383 614 HE2 LYS 77 HE2 LYS 77 -10.784 -11.089 -1.061 615 HE3 LYS 77 HE3 LYS 77 -11.618 -9.985 -2.141 616 HZ1 LYS 77 HZ1 LYS 77 -12.141 -9.417 0.107 617 HZ2 LYS 77 HZ2 LYS 77 -13.515 -10.017 -0.548 618 HZ3 LYS 77 HZ3 LYS 77 -12.627 -10.947 0.487 619 H ALA 78 H ALA 78 -13.415 -15.963 -3.782 620 HA ALA 78 HA ALA 78 -13.974 -17.414 -6.305 621 HB1 ALA 78 HB1 ALA 78 -14.317 -19.502 -5.000 622 HB2 ALA 78 HB2 ALA 78 -12.636 -18.961 -4.895 623 HB3 ALA 78 HB3 ALA 78 -13.749 -18.684 -3.527 624 H GLN 79 H GLN 79 -16.231 -18.446 -6.060 625 HA GLN 79 HA GLN 79 -18.029 -17.129 -4.128 626 HB2 GLN 79 HB2 GLN 79 -18.504 -17.131 -7.151 627 HB3 GLN 79 HB3 GLN 79 -19.661 -16.620 -5.913 628 HG2 GLN 79 HG2 GLN 79 -17.030 -15.161 -6.305 629 HG3 GLN 79 HG3 GLN 79 -18.489 -14.794 -7.213 630 HE21 GLN 79 HE22 GLN 79 -17.195 -14.965 -3.854 631 HE22 GLN 79 HE21 GLN 79 -18.465 -13.966 -3.157 632 H LEU 80 H LEU 80 -20.140 -18.274 -4.096 633 HA LEU 80 HA LEU 80 -20.113 -21.030 -5.152 634 HB2 LEU 80 HB2 LEU 80 -18.930 -20.941 -2.897 635 HB3 LEU 80 HB3 LEU 80 -20.438 -20.390 -2.184 636 HG LEU 80 HG LEU 80 -21.519 -22.562 -2.783 637 HD11 LEU 80 HD11 LEU 80 -20.099 -24.446 -3.593 638 HD12 LEU 80 HD12 LEU 80 -20.320 -23.200 -4.819 639 HD13 LEU 80 HD13 LEU 80 -18.785 -23.296 -3.918 640 HD21 LEU 80 HD21 LEU 80 -18.862 -22.899 -1.342 641 HD22 LEU 80 HD22 LEU 80 -20.375 -22.298 -0.619 642 HD23 LEU 80 HD23 LEU 80 -20.280 -23.961 -1.215 643 H SER 81 H SER 81 -21.633 -18.879 -6.078 644 HA SER 81 HA SER 81 -24.077 -18.456 -4.720 645 HB2 SER 81 HB2 SER 81 -24.728 -17.657 -7.145 646 HB3 SER 81 HB3 SER 81 -23.561 -16.778 -6.153 647 HG SER 81 HG SER 81 -22.800 -17.116 -8.316 648 H LYS 82 H LYS 82 -23.138 -21.299 -6.497 649 HA LYS 82 HA LYS 82 -25.788 -22.172 -7.175 650 HB2 LYS 82 HB2 LYS 82 -23.266 -23.710 -6.428 651 HB3 LYS 82 HB3 LYS 82 -24.760 -24.511 -6.881 652 HG2 LYS 82 HG2 LYS 82 -23.156 -22.605 -8.633 653 HG3 LYS 82 HG3 LYS 82 -23.212 -24.356 -8.777 654 HD2 LYS 82 HD2 LYS 82 -25.519 -22.434 -9.316 655 HD3 LYS 82 HD3 LYS 82 -24.554 -23.307 -10.500 656 HE2 LYS 82 HE2 LYS 82 -25.374 -25.474 -9.625 657 HE3 LYS 82 HE3 LYS 82 -26.353 -24.631 -8.411 658 HZ1 LYS 82 HZ1 LYS 82 -27.629 -25.289 -10.378 659 HZ2 LYS 82 HZ2 LYS 82 -27.684 -23.671 -10.172 660 HZ3 LYS 82 HZ3 LYS 82 -26.718 -24.333 -11.339 661 H ASP 83 H ASP 83 -24.212 -21.841 -4.020 662 HA ASP 83 HA ASP 83 -26.207 -23.463 -2.654 663 HB2 ASP 83 HB2 ASP 83 -23.903 -23.085 -1.788 664 HB3 ASP 83 HB3 ASP 83 -24.295 -21.374 -1.564 665 H LEU 84 H LEU 84 -26.501 -20.541 -4.248 666 HA LEU 84 HA LEU 84 -28.562 -19.416 -2.405 667 HB2 LEU 84 HB2 LEU 84 -26.479 -18.063 -3.348 668 HB3 LEU 84 HB3 LEU 84 -27.399 -18.008 -4.835 669 HG LEU 84 HG LEU 84 -28.275 -16.936 -2.116 670 HD11 LEU 84 HD11 LEU 84 -26.462 -15.653 -3.198 671 HD12 LEU 84 HD12 LEU 84 -27.436 -15.515 -4.683 672 HD13 LEU 84 HD13 LEU 84 -27.970 -14.732 -3.181 673 HD21 LEU 84 HD21 LEU 84 -30.101 -15.800 -3.454 674 HD22 LEU 84 HD22 LEU 84 -29.676 -16.863 -4.820 675 HD23 LEU 84 HD23 LEU 84 -30.289 -17.547 -3.293 676 H ASP 85 H ASP 85 -27.758 -20.068 -5.852 677 HA ASP 85 HA ASP 85 -30.336 -20.034 -6.981 678 HB2 ASP 85 HB2 ASP 85 -28.174 -20.087 -8.209 679 HB3 ASP 85 HB3 ASP 85 -27.914 -21.738 -7.661 680 H LYS 86 H LYS 86 -28.609 -22.540 -5.226 681 HA LYS 86 HA LYS 86 -29.010 -24.491 -4.398 682 HB2 LYS 86 HB2 LYS 86 -31.286 -22.984 -3.752 683 HB3 LYS 86 HB3 LYS 86 -31.959 -24.468 -4.383 684 HG2 LYS 86 HG2 LYS 86 -31.741 -24.636 -2.011 685 HG3 LYS 86 HG3 LYS 86 -30.509 -25.677 -2.737 686 HD2 LYS 86 HD2 LYS 86 -28.742 -24.078 -2.239 687 HD3 LYS 86 HD3 LYS 86 -29.940 -22.842 -1.806 688 HE2 LYS 86 HE2 LYS 86 -30.687 -24.271 0.107 689 HE3 LYS 86 HE3 LYS 86 -29.444 -25.459 -0.310 690 HZ1 LYS 86 HZ1 LYS 86 -27.745 -23.794 0.175 691 HZ2 LYS 86 HZ2 LYS 86 -28.877 -22.647 0.467 692 HZ3 LYS 86 HZ3 LYS 86 -28.739 -23.937 1.466 693 H LEU 87 H LEU 87 -30.461 -26.628 -4.611 694 HA LEU 87 HA LEU 87 -30.113 -27.555 -7.364 695 HB2 LEU 87 HB2 LEU 87 -30.907 -28.792 -4.693 696 HB3 LEU 87 HB3 LEU 87 -31.260 -29.635 -6.162 697 HG LEU 87 HG LEU 87 -29.246 -30.465 -5.128 698 HD11 LEU 87 HD11 LEU 87 -29.526 -30.565 -7.590 699 HD12 LEU 87 HD12 LEU 87 -28.565 -29.074 -7.746 700 HD13 LEU 87 HD13 LEU 87 -27.830 -30.545 -7.078 701 HD21 LEU 87 HD21 LEU 87 -27.961 -27.765 -5.682 702 HD22 LEU 87 HD22 LEU 87 -28.460 -28.367 -4.081 703 HD23 LEU 87 HD23 LEU 87 -27.187 -29.201 -4.985 704 H VAL 88 H VAL 88 -31.926 -28.714 -8.426 705 HA VAL 88 HA VAL 88 -34.643 -27.809 -7.739 706 HB VAL 88 HB VAL 88 -35.129 -27.204 -10.059 707 HG11 VAL 88 HG11 VAL 88 -32.761 -25.575 -9.086 708 HG12 VAL 88 HG12 VAL 88 -34.059 -25.057 -10.178 709 HG13 VAL 88 HG13 VAL 88 -34.427 -25.423 -8.485 710 HG21 VAL 88 HG21 VAL 88 -32.166 -27.537 -10.633 711 HG22 VAL 88 HG22 VAL 88 -33.484 -28.574 -11.233 712 HG23 VAL 88 HG23 VAL 88 -33.399 -26.879 -11.734 713 HA PRO 89 HA PRO 89 -35.334 -32.033 -8.519 714 HB2 PRO 89 HB2 PRO 89 -38.038 -32.191 -8.774 715 HB3 PRO 89 HB3 PRO 89 -37.267 -31.461 -7.341 716 HG2 PRO 89 HG2 PRO 89 -38.361 -30.035 -9.788 717 HG3 PRO 89 HG3 PRO 89 -38.708 -29.696 -8.059 718 HD2 PRO 89 HD2 PRO 89 -36.791 -28.375 -9.505 719 HD3 PRO 89 HD3 PRO 89 -36.639 -28.645 -7.756 720 H ARG 90 H ARG 90 -34.434 -30.704 -10.908 721 HA ARG 90 HA ARG 90 -35.655 -32.277 -13.114 722 HB2 ARG 90 HB2 ARG 90 -35.033 -29.293 -13.170 723 HB3 ARG 90 HB3 ARG 90 -35.461 -30.298 -14.560 724 HG2 ARG 90 HG2 ARG 90 -37.657 -30.849 -13.411 725 HG3 ARG 90 HG3 ARG 90 -37.242 -29.662 -12.159 726 HD2 ARG 90 HD2 ARG 90 -37.071 -27.893 -13.874 727 HD3 ARG 90 HD3 ARG 90 -37.437 -29.078 -15.133 728 HE ARG 90 HE ARG 90 -39.261 -27.829 -13.192 729 HH11 ARG 90 HH11 ARG 90 -38.961 -30.410 -15.634 730 HH12 ARG 90 HH12 ARG 90 -40.666 -30.613 -15.822 731 HH21 ARG 90 HH21 ARG 90 -41.520 -28.100 -13.452 732 HH22 ARG 90 HH22 ARG 90 -42.146 -29.261 -14.571 Start of MODEL 18 1 H1 MET 1 H1 MET 1 6.621 1.099 -5.605 2 H2 MET 1 H2 MET 1 7.489 -0.293 -5.789 3 H3 MET 1 H3 MET 1 6.505 0.255 -6.998 4 HA MET 1 HA MET 1 5.511 -1.616 -5.857 5 HB2 MET 1 HB2 MET 1 6.481 -1.176 -3.639 6 HB3 MET 1 HB3 MET 1 5.516 0.285 -3.481 7 HG2 MET 1 HG2 MET 1 4.534 -1.499 -2.196 8 HG3 MET 1 HG3 MET 1 3.440 -1.127 -3.529 9 HE1 MET 1 HE1 MET 1 3.373 -5.093 -2.577 10 HE2 MET 1 HE2 MET 1 3.560 -3.673 -1.543 11 HE3 MET 1 HE3 MET 1 2.281 -3.720 -2.788 12 H GLU 2 H GLU 2 3.529 -1.763 -6.663 13 HA GLU 2 HA GLU 2 2.195 0.757 -7.562 14 HB2 GLU 2 HB2 GLU 2 3.906 -1.280 -8.893 15 HB3 GLU 2 HB3 GLU 2 2.412 -1.072 -9.725 16 HG2 GLU 2 HG2 GLU 2 4.000 0.368 -10.721 17 HG3 GLU 2 HG3 GLU 2 2.804 1.365 -9.899 18 H ILE 3 H ILE 3 0.363 0.301 -6.183 19 HA ILE 3 HA ILE 3 -0.968 -2.288 -6.161 20 HB ILE 3 HB ILE 3 -1.991 0.400 -5.236 21 HG12 ILE 3 HG12 ILE 3 0.071 -0.036 -4.012 22 HG13 ILE 3 HG13 ILE 3 -1.353 -0.205 -3.014 23 HG21 ILE 3 HG21 ILE 3 -2.908 -2.449 -4.636 24 HG22 ILE 3 HG22 ILE 3 -3.400 -1.026 -3.686 25 HG23 ILE 3 HG23 ILE 3 -3.842 -1.128 -5.381 26 HD11 ILE 3 HD11 ILE 3 0.342 -2.494 -4.036 27 HD12 ILE 3 HD12 ILE 3 0.235 -1.860 -2.372 28 HD13 ILE 3 HD13 ILE 3 -1.156 -2.680 -3.080 29 H GLU 4 H GLU 4 -2.987 -2.811 -7.287 30 HA GLU 4 HA GLU 4 -4.234 -0.747 -8.994 31 HB2 GLU 4 HB2 GLU 4 -2.715 -2.208 -10.368 32 HB3 GLU 4 HB3 GLU 4 -3.569 -3.610 -9.750 33 HG2 GLU 4 HG2 GLU 4 -4.297 -3.023 -11.943 34 HG3 GLU 4 HG3 GLU 4 -5.633 -2.880 -10.838 35 H ARG 5 H ARG 5 -6.472 -1.158 -9.348 36 HA ARG 5 HA ARG 5 -7.790 -3.169 -7.551 37 HB2 ARG 5 HB2 ARG 5 -8.180 -0.803 -6.839 38 HB3 ARG 5 HB3 ARG 5 -8.789 -0.425 -8.434 39 HG2 ARG 5 HG2 ARG 5 -10.666 -0.734 -7.004 40 HG3 ARG 5 HG3 ARG 5 -10.640 -2.095 -8.116 41 HD2 ARG 5 HD2 ARG 5 -11.216 -2.861 -5.882 42 HD3 ARG 5 HD3 ARG 5 -9.659 -3.522 -6.312 43 HE ARG 5 HE ARG 5 -8.561 -2.009 -4.829 44 HH11 ARG 5 HH11 ARG 5 -12.117 -1.772 -4.554 45 HH12 ARG 5 HH12 ARG 5 -12.055 -0.914 -3.041 46 HH21 ARG 5 HH21 ARG 5 -8.543 -0.725 -2.899 47 HH22 ARG 5 HH22 ARG 5 -10.044 -0.331 -2.115 48 H ILE 6 H ILE 6 -8.120 -4.873 -9.063 49 HA ILE 6 HA ILE 6 -8.557 -4.372 -11.865 50 HB ILE 6 HB ILE 6 -9.130 -6.860 -10.214 51 HG12 ILE 6 HG12 ILE 6 -6.839 -6.287 -9.792 52 HG13 ILE 6 HG13 ILE 6 -6.934 -7.632 -10.883 53 HG21 ILE 6 HG21 ILE 6 -10.190 -6.999 -12.377 54 HG22 ILE 6 HG22 ILE 6 -8.681 -6.542 -13.196 55 HG23 ILE 6 HG23 ILE 6 -8.792 -8.085 -12.313 56 HD11 ILE 6 HD11 ILE 6 -5.163 -6.059 -11.575 57 HD12 ILE 6 HD12 ILE 6 -6.423 -6.136 -12.810 58 HD13 ILE 6 HD13 ILE 6 -6.347 -4.760 -11.693 59 H ASN 7 H ASN 7 -10.561 -5.473 -9.139 60 HA ASN 7 HA ASN 7 -12.930 -4.034 -9.962 61 HB2 ASN 7 HB2 ASN 7 -14.386 -5.845 -10.469 62 HB3 ASN 7 HB3 ASN 7 -12.992 -6.042 -11.491 63 HD21 ASN 7 HD22 ASN 7 -14.296 -8.258 -11.516 64 HD22 ASN 7 HD21 ASN 7 -13.672 -9.452 -10.402 65 H GLU 8 H GLU 8 -14.805 -5.416 -8.374 66 HA GLU 8 HA GLU 8 -14.166 -4.440 -5.820 67 HB2 GLU 8 HB2 GLU 8 -16.405 -4.720 -6.890 68 HB3 GLU 8 HB3 GLU 8 -16.307 -6.467 -6.610 69 HG2 GLU 8 HG2 GLU 8 -16.491 -6.215 -4.261 70 HG3 GLU 8 HG3 GLU 8 -15.984 -4.529 -4.316 71 H HIS 9 H HIS 9 -13.199 -7.436 -7.162 72 HA HIS 9 HA HIS 9 -13.011 -8.827 -4.490 73 HB2 HIS 9 HB2 HIS 9 -13.677 -9.852 -7.286 74 HB3 HIS 9 HB3 HIS 9 -13.397 -10.868 -5.896 75 HD1 HIS 9 HD1 HIS 9 -16.258 -10.103 -7.688 76 HD2 HIS 9 HD2 HIS 9 -15.185 -9.307 -3.689 77 HE1 HIS 9 HE1 HIS 9 -18.429 -9.785 -6.403 78 H THR 10 H THR 10 -11.424 -8.160 -7.559 79 HA THR 10 HA THR 10 -9.002 -9.594 -6.615 80 HB THR 10 HB THR 10 -9.843 -8.804 -9.419 81 HG1 THR 10 HG1 THR 10 -10.433 -10.937 -9.620 82 HG21 THR 10 HG21 THR 10 -7.543 -10.582 -8.513 83 HG22 THR 10 HG22 THR 10 -8.001 -10.215 -10.198 84 HG23 THR 10 HG23 THR 10 -7.363 -8.949 -9.144 85 H VAL 11 H VAL 11 -7.190 -8.529 -6.331 86 HA VAL 11 HA VAL 11 -6.848 -5.774 -7.356 87 HB VAL 11 HB VAL 11 -5.451 -5.267 -5.349 88 HG11 VAL 11 HG11 VAL 11 -8.397 -5.800 -4.748 89 HG12 VAL 11 HG12 VAL 11 -7.322 -4.707 -3.849 90 HG13 VAL 11 HG13 VAL 11 -7.709 -4.360 -5.531 91 HG21 VAL 11 HG21 VAL 11 -5.057 -7.532 -4.480 92 HG22 VAL 11 HG22 VAL 11 -5.760 -6.482 -3.251 93 HG23 VAL 11 HG23 VAL 11 -6.777 -7.697 -4.053 94 H LYS 12 H LYS 12 -4.530 -5.423 -7.869 95 HA LYS 12 HA LYS 12 -2.856 -7.754 -7.442 96 HB2 LYS 12 HB2 LYS 12 -2.067 -8.123 -9.540 97 HB3 LYS 12 HB3 LYS 12 -3.771 -7.872 -9.886 98 HG2 LYS 12 HG2 LYS 12 -3.265 -5.581 -10.620 99 HG3 LYS 12 HG3 LYS 12 -1.543 -5.846 -10.296 100 HD2 LYS 12 HD2 LYS 12 -1.496 -7.730 -11.888 101 HD3 LYS 12 HD3 LYS 12 -3.225 -7.500 -12.258 102 HE2 LYS 12 HE2 LYS 12 -2.823 -5.310 -13.191 103 HE3 LYS 12 HE3 LYS 12 -1.208 -5.277 -12.458 104 HZ1 LYS 12 HZ1 LYS 12 -1.947 -7.140 -14.650 105 HZ2 LYS 12 HZ2 LYS 12 -1.157 -5.719 -14.872 106 HZ3 LYS 12 HZ3 LYS 12 -0.438 -6.897 -14.004 107 H PHE 13 H PHE 13 -0.511 -7.074 -7.735 108 HA PHE 13 HA PHE 13 -0.145 -4.215 -7.888 109 HB2 PHE 13 HB2 PHE 13 1.128 -4.006 -5.789 110 HB3 PHE 13 HB3 PHE 13 -0.559 -4.398 -5.494 111 HD1 PHE 13 HD1 PHE 13 -1.234 -6.722 -4.833 112 HD2 PHE 13 HD2 PHE 13 2.890 -5.506 -5.085 113 HE1 PHE 13 HE1 PHE 13 -0.584 -8.617 -3.374 114 HE2 PHE 13 HE2 PHE 13 3.526 -7.347 -3.541 115 HZ PHE 13 HZ PHE 13 1.774 -8.855 -2.622 116 H TYR 14 H TYR 14 2.148 -3.691 -8.083 117 HA TYR 14 HA TYR 14 3.860 -6.009 -8.840 118 HB2 TYR 14 HB2 TYR 14 3.331 -4.818 -10.825 119 HB3 TYR 14 HB3 TYR 14 3.522 -3.264 -10.064 120 HD1 TYR 14 HD2 TYR 14 5.362 -6.362 -10.941 121 HD2 TYR 14 HD1 TYR 14 5.612 -2.186 -9.987 122 HE1 TYR 14 HE2 TYR 14 7.747 -6.461 -11.450 123 HE2 TYR 14 HE1 TYR 14 8.089 -2.236 -10.459 124 HH TYR 14 HH TYR 14 9.755 -5.168 -11.708 125 H MET 15 H MET 15 5.556 -6.234 -7.592 126 HA MET 15 HA MET 15 6.346 -4.067 -5.681 127 HB2 MET 15 HB2 MET 15 5.245 -6.202 -4.724 128 HB3 MET 15 HB3 MET 15 6.621 -7.085 -5.353 129 HG2 MET 15 HG2 MET 15 8.119 -5.827 -3.986 130 HG3 MET 15 HG3 MET 15 6.826 -4.763 -3.465 131 HE1 MET 15 HE1 MET 15 7.676 -5.159 -1.049 132 HE2 MET 15 HE2 MET 15 5.907 -5.006 -1.090 133 HE3 MET 15 HE3 MET 15 6.657 -6.248 -0.066 134 H SER 16 H SER 16 8.029 -3.152 -6.362 135 HA SER 16 HA SER 16 10.058 -4.391 -8.018 136 HB2 SER 16 HB2 SER 16 11.128 -2.131 -7.065 137 HB3 SER 16 HB3 SER 16 9.977 -2.117 -8.405 138 HG SER 16 HG SER 16 9.615 -0.571 -6.634 139 H TYR 17 H TYR 17 12.091 -5.092 -7.298 140 HA TYR 17 HA TYR 17 12.375 -6.339 -4.834 141 HB2 TYR 17 HB2 TYR 17 14.564 -5.088 -6.522 142 HB3 TYR 17 HB3 TYR 17 14.828 -6.252 -5.228 143 HD1 TYR 17 HD2 TYR 17 12.447 -8.164 -5.900 144 HD2 TYR 17 HD1 TYR 17 15.523 -6.314 -8.307 145 HE1 TYR 17 HE2 TYR 17 12.357 -10.047 -7.441 146 HE2 TYR 17 HE1 TYR 17 15.410 -8.196 -9.898 147 HH TYR 17 HH TYR 17 14.427 -10.303 -10.379 148 H GLY 18 H GLY 18 13.234 -2.932 -5.549 149 HA2 GLY 18 HA2 GLY 18 14.615 -2.478 -3.143 150 HA3 GLY 18 HA3 GLY 18 13.844 -1.255 -4.130 151 H ASP 19 H ASP 19 11.065 -2.630 -3.674 152 HA ASP 19 HA ASP 19 10.420 -1.182 -1.227 153 HB2 ASP 19 HB2 ASP 19 8.803 -1.630 -3.168 154 HB3 ASP 19 HB3 ASP 19 8.699 -3.282 -2.588 155 H ILE 20 H ILE 20 11.011 -4.534 -2.151 156 HA ILE 20 HA ILE 20 10.203 -5.791 0.303 157 HB ILE 20 HB ILE 20 11.997 -6.645 -2.021 158 HG12 ILE 20 HG12 ILE 20 9.206 -7.623 -1.337 159 HG13 ILE 20 HG13 ILE 20 9.445 -6.161 -2.282 160 HG21 ILE 20 HG21 ILE 20 11.849 -8.921 -1.254 161 HG22 ILE 20 HG22 ILE 20 12.555 -7.935 0.035 162 HG23 ILE 20 HG23 ILE 20 10.847 -8.438 0.123 163 HD11 ILE 20 HD11 ILE 20 10.339 -8.914 -3.145 164 HD12 ILE 20 HD12 ILE 20 8.968 -7.951 -3.761 165 HD13 ILE 20 HD13 ILE 20 10.612 -7.381 -4.028 166 H GLU 21 H GLU 21 13.345 -4.726 -1.044 167 HA GLU 21 HA GLU 21 15.057 -5.244 1.145 168 HB2 GLU 21 HB2 GLU 21 14.975 -3.126 -1.030 169 HB3 GLU 21 HB3 GLU 21 16.318 -3.253 0.067 170 HG2 GLU 21 HG2 GLU 21 15.335 -5.477 -1.778 171 HG3 GLU 21 HG3 GLU 21 16.648 -4.355 -2.070 172 H ASP 22 H ASP 22 13.124 -2.353 0.359 173 HA ASP 22 HA ASP 22 13.968 -0.687 2.491 174 HB2 ASP 22 HB2 ASP 22 12.626 0.085 0.548 175 HB3 ASP 22 HB3 ASP 22 11.216 -0.705 1.216 176 H ARG 23 H ARG 23 11.202 -2.889 2.248 177 HA ARG 23 HA ARG 23 10.345 -2.600 5.008 178 HB2 ARG 23 HB2 ARG 23 9.734 -4.606 2.814 179 HB3 ARG 23 HB3 ARG 23 9.048 -4.696 4.449 180 HG2 ARG 23 HG2 ARG 23 8.014 -2.529 4.225 181 HG3 ARG 23 HG3 ARG 23 8.657 -2.326 2.587 182 HD2 ARG 23 HD2 ARG 23 7.224 -3.922 1.676 183 HD3 ARG 23 HD3 ARG 23 7.114 -4.848 3.144 184 HE ARG 23 HE ARG 23 5.457 -3.498 4.020 185 HH11 ARG 23 HH11 ARG 23 6.410 -2.118 0.845 186 HH12 ARG 23 HH12 ARG 23 5.295 -0.808 0.975 187 HH21 ARG 23 HH21 ARG 23 3.949 -1.858 4.112 188 HH22 ARG 23 HH22 ARG 23 3.785 -0.705 2.816 189 H GLY 24 H GLY 24 13.149 -3.955 3.753 190 HA2 GLY 24 HA2 GLY 24 14.843 -4.976 4.861 191 HA3 GLY 24 HA3 GLY 24 13.831 -5.019 6.308 192 H PHE 25 H PHE 25 12.393 -6.402 3.535 193 HA PHE 25 HA PHE 25 12.944 -9.208 4.366 194 HB2 PHE 25 HB2 PHE 25 11.176 -8.003 2.211 195 HB3 PHE 25 HB3 PHE 25 11.385 -9.735 2.476 196 HD1 PHE 25 HD2 PHE 25 10.032 -6.595 3.865 197 HD2 PHE 25 HD1 PHE 25 10.114 -10.889 4.256 198 HE1 PHE 25 HE2 PHE 25 8.393 -6.455 5.722 199 HE2 PHE 25 HE1 PHE 25 8.499 -10.749 6.086 200 HZ PHE 25 HZ PHE 25 7.636 -8.537 6.859 201 H ASP 26 H ASP 26 13.300 -10.476 1.981 202 HA ASP 26 HA ASP 26 15.349 -9.028 0.396 203 HB2 ASP 26 HB2 ASP 26 16.287 -10.821 2.181 204 HB3 ASP 26 HB3 ASP 26 15.653 -11.937 1.015 205 H ARG 27 H ARG 27 15.156 -9.643 -1.821 206 HA ARG 27 HA ARG 27 12.627 -10.630 -2.659 207 HB2 ARG 27 HB2 ARG 27 13.564 -10.646 -4.911 208 HB3 ARG 27 HB3 ARG 27 14.099 -9.200 -4.046 209 HG2 ARG 27 HG2 ARG 27 16.301 -10.337 -3.591 210 HG3 ARG 27 HG3 ARG 27 15.747 -11.714 -4.569 211 HD2 ARG 27 HD2 ARG 27 15.535 -10.262 -6.534 212 HD3 ARG 27 HD3 ARG 27 16.041 -8.857 -5.564 213 HE ARG 27 HE ARG 27 17.987 -10.931 -5.324 214 HH11 ARG 27 HH11 ARG 27 16.861 -8.550 -7.721 215 HH12 ARG 27 HH12 ARG 27 18.389 -8.450 -8.532 216 HH21 ARG 27 HH21 ARG 27 19.994 -10.811 -6.420 217 HH22 ARG 27 HH22 ARG 27 20.206 -9.769 -7.779 218 H GLU 28 H GLU 28 15.640 -12.391 -1.910 219 HA GLU 28 HA GLU 28 14.565 -14.918 -2.968 220 HB2 GLU 28 HB2 GLU 28 16.948 -14.287 -1.205 221 HB3 GLU 28 HB3 GLU 28 16.507 -15.901 -1.725 222 HG2 GLU 28 HG2 GLU 28 16.654 -15.117 -4.117 223 HG3 GLU 28 HG3 GLU 28 17.272 -13.578 -3.530 224 H GLU 29 H GLU 29 15.051 -13.403 0.244 225 HA GLU 29 HA GLU 29 14.271 -15.618 1.765 226 HB2 GLU 29 HB2 GLU 29 14.160 -12.634 2.362 227 HB3 GLU 29 HB3 GLU 29 13.896 -13.788 3.605 228 HG2 GLU 29 HG2 GLU 29 16.457 -13.948 2.003 229 HG3 GLU 29 HG3 GLU 29 16.216 -12.791 3.297 230 H ILE 30 H ILE 30 12.316 -13.050 0.440 231 HA ILE 30 HA ILE 30 9.794 -13.625 1.578 232 HB ILE 30 HB ILE 30 10.535 -12.823 -1.242 233 HG12 ILE 30 HG12 ILE 30 10.912 -11.296 0.862 234 HG13 ILE 30 HG13 ILE 30 10.303 -10.692 -0.656 235 HG21 ILE 30 HG21 ILE 30 8.361 -13.836 -1.502 236 HG22 ILE 30 HG22 ILE 30 7.725 -13.006 -0.069 237 HG23 ILE 30 HG23 ILE 30 8.158 -12.085 -1.538 238 HD11 ILE 30 HD11 ILE 30 8.010 -10.557 0.289 239 HD12 ILE 30 HD12 ILE 30 8.573 -11.345 1.787 240 HD13 ILE 30 HD13 ILE 30 9.136 -9.725 1.343 241 H TRP 31 H TRP 31 11.364 -15.275 -1.261 242 HA TRP 31 HA TRP 31 9.119 -17.046 -1.647 243 HB2 TRP 31 HB2 TRP 31 12.005 -17.392 -2.495 244 HB3 TRP 31 HB3 TRP 31 10.658 -18.359 -3.051 245 HD1 TRP 31 HD1 TRP 31 12.653 -15.534 -4.086 246 HE1 TRP 31 HE1 TRP 31 11.571 -14.176 -5.953 247 HE3 TRP 31 HE3 TRP 31 7.929 -17.482 -3.835 248 HZ2 TRP 31 HZ2 TRP 31 8.953 -13.943 -7.185 249 HZ3 TRP 31 HZ3 TRP 31 6.176 -16.723 -5.390 250 HH2 TRP 31 HH2 TRP 31 6.638 -14.932 -7.069 251 H TYR 32 H TYR 32 12.105 -17.248 0.245 252 HA TYR 32 HA TYR 32 11.725 -20.121 0.643 253 HB2 TYR 32 HB2 TYR 32 14.051 -18.258 1.251 254 HB3 TYR 32 HB3 TYR 32 14.111 -20.007 1.351 255 HD1 TYR 32 HD1 TYR 32 12.939 -21.146 -0.953 256 HD2 TYR 32 HD2 TYR 32 15.255 -17.515 -0.636 257 HE1 TYR 32 HE1 TYR 32 13.474 -21.285 -3.343 258 HE2 TYR 32 HE2 TYR 32 15.735 -17.605 -3.048 259 HH TYR 32 HH TYR 32 14.556 -20.281 -5.168 260 H ASN 33 H ASN 33 10.653 -17.561 2.509 261 HA ASN 33 HA ASN 33 10.779 -19.177 5.023 262 HB2 ASN 33 HB2 ASN 33 11.101 -16.182 4.594 263 HB3 ASN 33 HB3 ASN 33 10.882 -16.940 6.149 264 HD21 ASN 33 HD22 ASN 33 12.992 -16.317 3.516 265 HD22 ASN 33 HD21 ASN 33 14.512 -16.756 4.285 266 H ARG 34 H ARG 34 8.600 -19.963 4.673 267 HA ARG 34 HA ARG 34 6.849 -18.568 3.074 268 HB2 ARG 34 HB2 ARG 34 6.702 -21.007 3.574 269 HB3 ARG 34 HB3 ARG 34 6.130 -20.620 5.193 270 HG2 ARG 34 HG2 ARG 34 4.281 -21.256 3.843 271 HG3 ARG 34 HG3 ARG 34 4.095 -19.593 4.332 272 HD2 ARG 34 HD2 ARG 34 3.475 -19.779 1.977 273 HD3 ARG 34 HD3 ARG 34 4.919 -18.789 2.187 274 HE ARG 34 HE ARG 34 4.829 -21.619 1.217 275 HH11 ARG 34 HH11 ARG 34 6.514 -18.426 1.035 276 HH12 ARG 34 HH12 ARG 34 7.850 -19.101 0.164 277 HH21 ARG 34 HH21 ARG 34 6.546 -22.362 -0.089 278 HH22 ARG 34 HH22 ARG 34 7.789 -21.285 -0.608 279 H GLU 35 H GLU 35 6.525 -18.814 6.615 280 HA GLU 35 HA GLU 35 4.435 -16.983 6.853 281 HB2 GLU 35 HB2 GLU 35 5.031 -16.715 9.169 282 HB3 GLU 35 HB3 GLU 35 5.222 -18.399 8.714 283 HG2 GLU 35 HG2 GLU 35 7.499 -16.388 8.994 284 HG3 GLU 35 HG3 GLU 35 7.001 -17.524 10.238 285 H ARG 36 H ARG 36 7.837 -16.208 6.179 286 HA ARG 36 HA ARG 36 7.406 -13.356 6.729 287 HB2 ARG 36 HB2 ARG 36 9.746 -14.808 5.507 288 HB3 ARG 36 HB3 ARG 36 9.645 -13.109 5.825 289 HG2 ARG 36 HG2 ARG 36 9.867 -15.367 7.814 290 HG3 ARG 36 HG3 ARG 36 10.877 -13.938 7.629 291 HD2 ARG 36 HD2 ARG 36 9.010 -12.508 8.478 292 HD3 ARG 36 HD3 ARG 36 8.041 -13.974 8.726 293 HE ARG 36 HE ARG 36 10.606 -14.112 10.044 294 HH11 ARG 36 HH11 ARG 36 7.278 -12.805 10.406 295 HH12 ARG 36 HH12 ARG 36 7.353 -12.807 12.132 296 HH21 ARG 36 HH21 ARG 36 10.663 -14.077 12.338 297 HH22 ARG 36 HH22 ARG 36 9.305 -13.523 13.249 298 H SER 37 H SER 37 6.942 -15.602 4.062 299 HA SER 37 HA SER 37 6.870 -13.544 2.033 300 HB2 SER 37 HB2 SER 37 4.888 -15.757 1.811 301 HB3 SER 37 HB3 SER 37 5.962 -15.081 0.604 302 HG SER 37 HG SER 37 7.665 -16.269 1.517 303 H GLU 38 H GLU 38 4.453 -15.087 4.219 304 HA GLU 38 HA GLU 38 2.172 -13.919 3.348 305 HB2 GLU 38 HB2 GLU 38 2.788 -15.705 5.225 306 HB3 GLU 38 HB3 GLU 38 2.522 -14.320 6.303 307 HG2 GLU 38 HG2 GLU 38 0.311 -13.975 5.162 308 HG3 GLU 38 HG3 GLU 38 0.578 -15.440 4.229 309 H GLU 39 H GLU 39 4.524 -12.322 5.520 310 HA GLU 39 HA GLU 39 2.928 -10.269 6.505 311 HB2 GLU 39 HB2 GLU 39 5.771 -9.727 5.693 312 HB3 GLU 39 HB3 GLU 39 4.953 -9.275 7.171 313 HG2 GLU 39 HG2 GLU 39 5.964 -12.028 6.478 314 HG3 GLU 39 HG3 GLU 39 6.798 -10.852 7.409 315 H LEU 40 H LEU 40 4.566 -10.576 3.401 316 HA LEU 40 HA LEU 40 4.316 -7.892 2.456 317 HB2 LEU 40 HB2 LEU 40 5.781 -9.506 1.414 318 HB3 LEU 40 HB3 LEU 40 4.437 -10.552 1.046 319 HG LEU 40 HG LEU 40 5.664 -8.770 -0.632 320 HD11 LEU 40 HD11 LEU 40 4.557 -10.815 -1.280 321 HD12 LEU 40 HD12 LEU 40 2.967 -10.075 -1.001 322 HD13 LEU 40 HD13 LEU 40 4.042 -9.467 -2.290 323 HD21 LEU 40 HD21 LEU 40 2.861 -7.653 -0.379 324 HD22 LEU 40 HD22 LEU 40 4.288 -6.852 0.365 325 HD23 LEU 40 HD23 LEU 40 4.166 -7.097 -1.379 326 H PHE 41 H PHE 41 2.309 -10.794 1.957 327 HA PHE 41 HA PHE 41 0.296 -9.513 0.455 328 HB2 PHE 41 HB2 PHE 41 0.077 -12.048 2.127 329 HB3 PHE 41 HB3 PHE 41 -0.965 -11.600 0.789 330 HD1 PHE 41 HD2 PHE 41 2.431 -12.619 1.764 331 HD2 PHE 41 HD1 PHE 41 -0.148 -11.823 -1.580 332 HE1 PHE 41 HE2 PHE 41 4.144 -13.558 0.234 333 HE2 PHE 41 HE1 PHE 41 1.557 -12.822 -3.102 334 HZ PHE 41 HZ PHE 41 3.691 -13.686 -2.206 335 H TRP 42 H TRP 42 0.667 -10.067 3.987 336 HA TRP 42 HA TRP 42 -1.845 -8.905 4.705 337 HB2 TRP 42 HB2 TRP 42 0.748 -9.413 6.152 338 HB3 TRP 42 HB3 TRP 42 -0.508 -8.447 6.905 339 HD1 TRP 42 HD1 TRP 42 0.507 -11.948 6.504 340 HE1 TRP 42 HE1 TRP 42 -1.309 -13.588 7.193 341 HE3 TRP 42 HE3 TRP 42 -3.425 -8.669 6.723 342 HZ2 TRP 42 HZ2 TRP 42 -4.198 -13.493 7.707 343 HZ3 TRP 42 HZ3 TRP 42 -5.707 -9.482 7.246 344 HH2 TRP 42 HH2 TRP 42 -6.109 -11.881 7.734 345 H GLU 43 H GLU 43 1.299 -7.290 3.857 346 HA GLU 43 HA GLU 43 0.453 -4.757 4.958 347 HB2 GLU 43 HB2 GLU 43 2.669 -5.659 3.090 348 HB3 GLU 43 HB3 GLU 43 2.354 -3.955 3.354 349 HG2 GLU 43 HG2 GLU 43 2.817 -5.857 5.686 350 HG3 GLU 43 HG3 GLU 43 4.137 -5.072 4.824 351 H VAL 44 H VAL 44 0.168 -6.312 1.692 352 HA VAL 44 HA VAL 44 -0.891 -3.899 0.530 353 HB VAL 44 HB VAL 44 -1.550 -5.449 -1.276 354 HG11 VAL 44 HG11 VAL 44 0.698 -4.226 -1.109 355 HG12 VAL 44 HG12 VAL 44 1.369 -5.729 -0.408 356 HG13 VAL 44 HG13 VAL 44 0.751 -5.712 -2.070 357 HG21 VAL 44 HG21 VAL 44 -1.789 -7.563 -0.141 358 HG22 VAL 44 HG22 VAL 44 -0.530 -7.668 -1.369 359 HG23 VAL 44 HG23 VAL 44 -0.047 -7.498 0.298 360 H MET 45 H MET 45 -2.340 -6.856 1.889 361 HA MET 45 HA MET 45 -5.040 -6.063 1.656 362 HB2 MET 45 HB2 MET 45 -3.514 -7.973 3.342 363 HB3 MET 45 HB3 MET 45 -4.889 -7.265 4.179 364 HG2 MET 45 HG2 MET 45 -5.574 -9.284 2.989 365 HG3 MET 45 HG3 MET 45 -6.368 -7.811 2.425 366 HE1 MET 45 HE1 MET 45 -7.338 -8.756 0.262 367 HE2 MET 45 HE2 MET 45 -6.624 -7.149 -0.005 368 HE3 MET 45 HE3 MET 45 -6.386 -8.439 -1.205 369 H ASP 46 H ASP 46 -2.661 -5.200 4.216 370 HA ASP 46 HA ASP 46 -4.375 -3.585 5.742 371 HB2 ASP 46 HB2 ASP 46 -2.167 -4.260 6.487 372 HB3 ASP 46 HB3 ASP 46 -1.399 -3.229 5.299 373 H GLU 47 H GLU 47 -2.548 -2.752 2.792 374 HA GLU 47 HA GLU 47 -3.024 0.007 2.706 375 HB2 GLU 47 HB2 GLU 47 -2.080 -2.138 0.978 376 HB3 GLU 47 HB3 GLU 47 -3.126 -1.095 0.057 377 HG2 GLU 47 HG2 GLU 47 -0.643 -0.311 1.630 378 HG3 GLU 47 HG3 GLU 47 -0.761 -0.556 -0.089 379 H VAL 48 H VAL 48 -5.320 -2.559 2.462 380 HA VAL 48 HA VAL 48 -7.445 -0.679 1.561 381 HB VAL 48 HB VAL 48 -8.472 -2.399 0.216 382 HG11 VAL 48 HG11 VAL 48 -6.916 -2.350 -1.677 383 HG12 VAL 48 HG12 VAL 48 -6.836 -0.803 -0.793 384 HG13 VAL 48 HG13 VAL 48 -5.557 -2.018 -0.578 385 HG21 VAL 48 HG21 VAL 48 -7.386 -4.482 -0.415 386 HG22 VAL 48 HG22 VAL 48 -5.951 -4.098 0.560 387 HG23 VAL 48 HG23 VAL 48 -7.492 -4.432 1.355 388 H HIS 49 H HIS 49 -6.431 -2.327 4.114 389 HA HIS 49 HA HIS 49 -8.397 -3.999 4.941 390 HB2 HIS 49 HB2 HIS 49 -6.225 -2.468 6.144 391 HB3 HIS 49 HB3 HIS 49 -7.559 -2.583 7.218 392 HD1 HIS 49 HD1 HIS 49 -6.054 -4.243 8.786 393 HD2 HIS 49 HD2 HIS 49 -6.905 -5.598 4.895 394 HE1 HIS 49 HE1 HIS 49 -5.422 -6.710 8.726 395 H GLU 50 H GLU 50 -8.738 -0.489 4.815 396 HA GLU 50 HA GLU 50 -11.077 -0.311 6.406 397 HB2 GLU 50 HB2 GLU 50 -11.490 1.772 5.158 398 HB3 GLU 50 HB3 GLU 50 -9.867 1.684 5.862 399 HG2 GLU 50 HG2 GLU 50 -8.921 1.140 3.660 400 HG3 GLU 50 HG3 GLU 50 -10.545 1.008 2.989 401 H GLU 51 H GLU 51 -10.676 -1.581 3.175 402 HA GLU 51 HA GLU 51 -13.636 -1.800 2.846 403 HB2 GLU 51 HB2 GLU 51 -11.283 -2.129 0.941 404 HB3 GLU 51 HB3 GLU 51 -12.946 -2.574 0.534 405 HG2 GLU 51 HG2 GLU 51 -13.729 -0.311 0.837 406 HG3 GLU 51 HG3 GLU 51 -12.177 0.221 1.474 407 H GLU 52 H GLU 52 -10.574 -3.721 3.013 408 HA GLU 52 HA GLU 52 -11.834 -6.240 2.617 409 HB2 GLU 52 HB2 GLU 52 -9.186 -5.400 3.719 410 HB3 GLU 52 HB3 GLU 52 -9.678 -7.074 3.853 411 HG2 GLU 52 HG2 GLU 52 -9.582 -5.505 1.259 412 HG3 GLU 52 HG3 GLU 52 -8.301 -6.545 1.862 413 H GLU 53 H GLU 53 -11.714 -4.230 5.586 414 HA GLU 53 HA GLU 53 -12.306 -6.299 7.418 415 HB2 GLU 53 HB2 GLU 53 -13.278 -4.587 8.825 416 HB3 GLU 53 HB3 GLU 53 -11.766 -4.026 8.116 417 HG2 GLU 53 HG2 GLU 53 -13.023 -2.672 6.470 418 HG3 GLU 53 HG3 GLU 53 -14.548 -3.286 7.090 419 H PHE 54 H PHE 54 -14.242 -5.122 4.788 420 HA PHE 54 HA PHE 54 -16.725 -6.342 5.856 421 HB2 PHE 54 HB2 PHE 54 -16.595 -3.962 4.910 422 HB3 PHE 54 HB3 PHE 54 -16.331 -4.690 3.336 423 HD1 PHE 54 HD2 PHE 54 -18.714 -4.752 6.262 424 HD2 PHE 54 HD1 PHE 54 -18.238 -5.143 1.985 425 HE1 PHE 54 HE2 PHE 54 -21.179 -4.869 5.993 426 HE2 PHE 54 HE1 PHE 54 -20.699 -5.253 1.725 427 HZ PHE 54 HZ PHE 54 -22.179 -5.115 3.726 428 H ALA 55 H ALA 55 -14.040 -7.498 4.368 429 HA ALA 55 HA ALA 55 -15.539 -9.467 2.721 430 HB1 ALA 55 HB1 ALA 55 -13.075 -7.972 1.740 431 HB2 ALA 55 HB2 ALA 55 -14.060 -9.153 0.842 432 HB3 ALA 55 HB3 ALA 55 -14.748 -7.582 1.272 433 H VAL 56 H VAL 56 -12.998 -9.060 5.102 434 HA VAL 56 HA VAL 56 -11.988 -11.730 4.417 435 HB VAL 56 HB VAL 56 -10.497 -11.528 6.341 436 HG11 VAL 56 HG11 VAL 56 -9.774 -10.678 4.168 437 HG12 VAL 56 HG12 VAL 56 -10.443 -9.081 4.541 438 HG13 VAL 56 HG13 VAL 56 -9.080 -9.718 5.484 439 HG21 VAL 56 HG21 VAL 56 -11.645 -8.747 6.836 440 HG22 VAL 56 HG22 VAL 56 -11.903 -10.171 7.870 441 HG23 VAL 56 HG23 VAL 56 -10.274 -9.517 7.659 442 H GLU 57 H GLU 57 -14.734 -10.711 5.818 443 HA GLU 57 HA GLU 57 -15.441 -13.082 7.284 444 HB2 GLU 57 HB2 GLU 57 -17.728 -12.501 6.368 445 HB3 GLU 57 HB3 GLU 57 -16.943 -11.188 7.244 446 HG2 GLU 57 HG2 GLU 57 -16.348 -10.039 5.211 447 HG3 GLU 57 HG3 GLU 57 -16.738 -11.422 4.213 448 H GLY 58 H GLY 58 -14.257 -12.664 4.117 449 HA2 GLY 58 HA2 GLY 58 -15.147 -15.379 3.309 450 HA3 GLY 58 HA3 GLY 58 -15.179 -14.009 2.194 451 HA PRO 59 HA PRO 59 -11.178 -16.428 2.437 452 HB2 PRO 59 HB2 PRO 59 -10.935 -17.356 -0.124 453 HB3 PRO 59 HB3 PRO 59 -11.994 -18.091 1.105 454 HG2 PRO 59 HG2 PRO 59 -12.764 -16.077 -1.033 455 HG3 PRO 59 HG3 PRO 59 -13.558 -17.639 -0.623 456 HD2 PRO 59 HD2 PRO 59 -14.486 -15.295 0.355 457 HD3 PRO 59 HD3 PRO 59 -14.476 -16.787 1.350 458 H LEU 60 H LEU 60 -9.102 -16.361 1.046 459 HA LEU 60 HA LEU 60 -8.751 -14.004 -0.643 460 HB2 LEU 60 HB2 LEU 60 -7.960 -13.407 1.753 461 HB3 LEU 60 HB3 LEU 60 -6.770 -14.709 1.554 462 HG LEU 60 HG LEU 60 -5.783 -13.491 -0.393 463 HD11 LEU 60 HD11 LEU 60 -7.687 -12.186 -1.209 464 HD12 LEU 60 HD12 LEU 60 -7.814 -11.331 0.351 465 HD13 LEU 60 HD13 LEU 60 -6.412 -11.078 -0.704 466 HD21 LEU 60 HD21 LEU 60 -4.699 -11.733 0.904 467 HD22 LEU 60 HD22 LEU 60 -5.977 -11.810 2.135 468 HD23 LEU 60 HD23 LEU 60 -4.883 -13.188 1.892 469 H TRP 61 H TRP 61 -7.097 -14.409 -2.182 470 HA TRP 61 HA TRP 61 -5.945 -17.138 -2.347 471 HB2 TRP 61 HB2 TRP 61 -7.753 -15.598 -4.199 472 HB3 TRP 61 HB3 TRP 61 -6.846 -16.928 -4.823 473 HD1 TRP 61 HD1 TRP 61 -9.874 -15.951 -2.790 474 HE1 TRP 61 HE1 TRP 61 -11.436 -17.982 -2.450 475 HE3 TRP 61 HE3 TRP 61 -6.823 -19.565 -4.612 476 HZ2 TRP 61 HZ2 TRP 61 -11.332 -20.854 -2.927 477 HZ3 TRP 61 HZ3 TRP 61 -7.550 -21.959 -4.683 478 HH2 TRP 61 HH2 TRP 61 -9.802 -22.600 -3.837 479 H ILE 62 H ILE 62 -4.121 -17.144 -3.884 480 HA ILE 62 HA ILE 62 -3.032 -14.438 -4.498 481 HB ILE 62 HB ILE 62 -1.346 -16.703 -3.426 482 HG12 ILE 62 HG12 ILE 62 -2.920 -16.372 -1.585 483 HG13 ILE 62 HG13 ILE 62 -1.284 -15.915 -1.196 484 HG21 ILE 62 HG21 ILE 62 0.180 -14.860 -2.792 485 HG22 ILE 62 HG22 ILE 62 -0.135 -14.910 -4.525 486 HG23 ILE 62 HG23 ILE 62 -0.948 -13.686 -3.526 487 HD11 ILE 62 HD11 ILE 62 -1.863 -13.513 -1.385 488 HD12 ILE 62 HD12 ILE 62 -3.541 -13.964 -1.761 489 HD13 ILE 62 HD13 ILE 62 -2.845 -14.366 -0.191 490 H GLN 63 H GLN 63 -1.892 -14.338 -6.428 491 HA GLN 63 HA GLN 63 -0.719 -16.793 -7.574 492 HB2 GLN 63 HB2 GLN 63 -2.840 -16.521 -8.765 493 HB3 GLN 63 HB3 GLN 63 -2.495 -14.828 -9.101 494 HG2 GLN 63 HG2 GLN 63 -0.621 -15.452 -10.551 495 HG3 GLN 63 HG3 GLN 63 -0.858 -17.167 -10.174 496 HE21 GLN 63 HE22 GLN 63 -1.161 -15.305 -12.738 497 HE22 GLN 63 HE21 GLN 63 -2.684 -15.846 -13.401 498 H VAL 64 H VAL 64 1.312 -16.217 -8.763 499 HA VAL 64 HA VAL 64 2.184 -13.397 -8.593 500 HB VAL 64 HB VAL 64 2.456 -14.389 -6.330 501 HG11 VAL 64 HG11 VAL 64 4.647 -16.085 -7.598 502 HG12 VAL 64 HG12 VAL 64 4.180 -15.983 -5.873 503 HG13 VAL 64 HG13 VAL 64 3.080 -16.716 -7.036 504 HG21 VAL 64 HG21 VAL 64 4.623 -13.455 -5.946 505 HG22 VAL 64 HG22 VAL 64 5.057 -13.579 -7.668 506 HG23 VAL 64 HG23 VAL 64 3.787 -12.479 -7.171 507 H GLN 65 H GLN 65 4.104 -12.943 -9.821 508 HA GLN 65 HA GLN 65 5.599 -15.235 -10.819 509 HB2 GLN 65 HB2 GLN 65 5.783 -14.170 -13.062 510 HB3 GLN 65 HB3 GLN 65 4.246 -14.967 -12.764 511 HG2 GLN 65 HG2 GLN 65 4.471 -11.976 -12.274 512 HG3 GLN 65 HG3 GLN 65 4.428 -12.573 -13.913 513 HE21 GLN 65 HE22 GLN 65 2.448 -11.919 -11.104 514 HE22 GLN 65 HE21 GLN 65 0.958 -12.407 -11.898 515 H ALA 66 H ALA 66 7.726 -14.645 -11.235 516 HA ALA 66 HA ALA 66 8.656 -12.047 -10.124 517 HB1 ALA 66 HB1 ALA 66 9.883 -14.111 -9.481 518 HB2 ALA 66 HB2 ALA 66 10.229 -14.431 -11.198 519 HB3 ALA 66 HB3 ALA 66 10.901 -12.991 -10.404 520 H LEU 67 H LEU 67 9.688 -10.554 -11.371 521 HA LEU 67 HA LEU 67 9.780 -10.763 -14.336 522 HB2 LEU 67 HB2 LEU 67 8.967 -8.405 -12.555 523 HB3 LEU 67 HB3 LEU 67 9.186 -8.322 -14.280 524 HG LEU 67 HG LEU 67 7.408 -10.443 -14.112 525 HD11 LEU 67 HD11 LEU 67 7.097 -10.193 -11.741 526 HD12 LEU 67 HD12 LEU 67 6.631 -8.485 -11.962 527 HD13 LEU 67 HD13 LEU 67 5.626 -9.798 -12.629 528 HD21 LEU 67 HD21 LEU 67 5.676 -8.822 -14.776 529 HD22 LEU 67 HD22 LEU 67 6.697 -7.477 -14.200 530 HD23 LEU 67 HD23 LEU 67 7.199 -8.457 -15.608 531 H ASP 68 H ASP 68 11.208 -8.597 -14.964 532 HA ASP 68 HA ASP 68 13.793 -9.490 -14.408 533 HB2 ASP 68 HB2 ASP 68 13.071 -8.260 -16.432 534 HB3 ASP 68 HB3 ASP 68 13.000 -6.771 -15.483 535 H LYS 69 H LYS 69 12.033 -6.884 -12.758 536 HA LYS 69 HA LYS 69 14.279 -6.607 -10.819 537 HB2 LYS 69 HB2 LYS 69 12.855 -4.352 -12.216 538 HB3 LYS 69 HB3 LYS 69 13.935 -4.121 -10.847 539 HG2 LYS 69 HG2 LYS 69 14.760 -5.296 -13.518 540 HG3 LYS 69 HG3 LYS 69 15.002 -3.643 -13.011 541 HD2 LYS 69 HD2 LYS 69 16.398 -4.425 -11.088 542 HD3 LYS 69 HD3 LYS 69 16.259 -6.080 -11.646 543 HE2 LYS 69 HE2 LYS 69 17.399 -3.834 -13.365 544 HE3 LYS 69 HE3 LYS 69 18.387 -4.850 -12.314 545 HZ1 LYS 69 HZ1 LYS 69 16.736 -5.871 -14.571 546 HZ2 LYS 69 HZ2 LYS 69 18.365 -5.686 -14.572 547 HZ3 LYS 69 HZ3 LYS 69 17.676 -6.783 -13.579 548 H GLY 70 H GLY 70 11.528 -7.941 -10.725 549 HA2 GLY 70 HA2 GLY 70 10.758 -7.246 -8.116 550 HA3 GLY 70 HA3 GLY 70 9.770 -6.276 -9.208 551 H LEU 71 H LEU 71 8.042 -7.564 -8.185 552 HA LEU 71 HA LEU 71 7.488 -10.126 -9.654 553 HB2 LEU 71 HB2 LEU 71 6.806 -9.373 -6.760 554 HB3 LEU 71 HB3 LEU 71 6.156 -10.762 -7.628 555 HG LEU 71 HG LEU 71 8.330 -11.852 -7.634 556 HD11 LEU 71 HD11 LEU 71 10.073 -11.010 -6.003 557 HD12 LEU 71 HD12 LEU 71 9.977 -10.113 -7.509 558 HD13 LEU 71 HD13 LEU 71 9.247 -9.419 -6.037 559 HD21 LEU 71 HD21 LEU 71 6.689 -12.229 -5.823 560 HD22 LEU 71 HD22 LEU 71 8.328 -12.305 -5.165 561 HD23 LEU 71 HD23 LEU 71 7.343 -10.856 -4.906 562 H GLU 72 H GLU 72 5.334 -10.262 -10.334 563 HA GLU 72 HA GLU 72 3.484 -8.058 -9.518 564 HB2 GLU 72 HB2 GLU 72 3.334 -9.880 -11.951 565 HB3 GLU 72 HB3 GLU 72 1.921 -9.126 -11.251 566 HG2 GLU 72 HG2 GLU 72 2.910 -6.868 -11.559 567 HG3 GLU 72 HG3 GLU 72 4.246 -7.608 -12.436 568 H ILE 73 H ILE 73 1.921 -8.646 -8.178 569 HA ILE 73 HA ILE 73 1.446 -11.512 -7.621 570 HB ILE 73 HB ILE 73 1.189 -9.151 -5.737 571 HG12 ILE 73 HG12 ILE 73 2.918 -10.066 -4.279 572 HG13 ILE 73 HG13 ILE 73 3.323 -11.300 -5.406 573 HG21 ILE 73 HG21 ILE 73 -0.404 -11.003 -5.292 574 HG22 ILE 73 HG22 ILE 73 0.938 -12.151 -5.223 575 HG23 ILE 73 HG23 ILE 73 0.766 -10.864 -3.991 576 HD11 ILE 73 HD11 ILE 73 3.571 -8.328 -6.051 577 HD12 ILE 73 HD12 ILE 73 4.861 -9.274 -5.282 578 HD13 ILE 73 HD13 ILE 73 4.315 -9.691 -6.908 579 H ILE 74 H ILE 74 -0.675 -12.045 -7.996 580 HA ILE 74 HA ILE 74 -2.774 -9.919 -8.233 581 HB ILE 74 HB ILE 74 -2.473 -12.643 -9.552 582 HG12 ILE 74 HG12 ILE 74 -3.014 -11.487 -11.643 583 HG13 ILE 74 HG13 ILE 74 -3.125 -9.945 -10.817 584 HG21 ILE 74 HG21 ILE 74 -5.001 -10.946 -9.371 585 HG22 ILE 74 HG22 ILE 74 -4.783 -12.333 -10.461 586 HG23 ILE 74 HG23 ILE 74 -4.737 -12.592 -8.725 587 HD11 ILE 74 HD11 ILE 74 -0.721 -9.904 -10.465 588 HD12 ILE 74 HD12 ILE 74 -0.582 -11.614 -10.948 589 HD13 ILE 74 HD13 ILE 74 -1.012 -10.366 -12.144 590 H VAL 75 H VAL 75 -4.598 -10.217 -6.862 591 HA VAL 75 HA VAL 75 -4.478 -12.429 -4.933 592 HB VAL 75 HB VAL 75 -5.267 -9.793 -3.800 593 HG11 VAL 75 HG11 VAL 75 -5.091 -11.884 -2.485 594 HG12 VAL 75 HG12 VAL 75 -3.350 -11.945 -2.831 595 HG13 VAL 75 HG13 VAL 75 -4.023 -10.615 -1.858 596 HG21 VAL 75 HG21 VAL 75 -3.266 -8.983 -5.062 597 HG22 VAL 75 HG22 VAL 75 -3.010 -8.986 -3.316 598 HG23 VAL 75 HG23 VAL 75 -2.298 -10.279 -4.311 599 H THR 76 H THR 76 -6.566 -13.306 -4.638 600 HA THR 76 HA THR 76 -8.748 -11.880 -6.095 601 HB THR 76 HB THR 76 -9.208 -13.729 -7.407 602 HG1 THR 76 HG1 THR 76 -8.478 -15.751 -7.195 603 HG21 THR 76 HG21 THR 76 -6.155 -13.982 -7.227 604 HG22 THR 76 HG22 THR 76 -7.177 -14.300 -8.639 605 HG23 THR 76 HG23 THR 76 -6.970 -12.638 -8.079 606 H LYS 77 H LYS 77 -10.926 -12.958 -5.815 607 HA LYS 77 HA LYS 77 -11.163 -14.640 -3.425 608 HB2 LYS 77 HB2 LYS 77 -13.054 -12.360 -4.081 609 HB3 LYS 77 HB3 LYS 77 -13.292 -13.590 -2.825 610 HG2 LYS 77 HG2 LYS 77 -11.046 -12.864 -1.822 611 HG3 LYS 77 HG3 LYS 77 -11.064 -11.548 -2.996 612 HD2 LYS 77 HD2 LYS 77 -13.303 -10.866 -2.044 613 HD3 LYS 77 HD3 LYS 77 -13.072 -12.197 -0.877 614 HE2 LYS 77 HE2 LYS 77 -10.836 -10.201 -1.186 615 HE3 LYS 77 HE3 LYS 77 -12.302 -9.562 -0.489 616 HZ1 LYS 77 HZ1 LYS 77 -10.747 -10.320 1.183 617 HZ2 LYS 77 HZ2 LYS 77 -12.172 -11.142 1.307 618 HZ3 LYS 77 HZ3 LYS 77 -10.879 -11.902 0.650 619 H ALA 78 H ALA 78 -13.279 -15.739 -3.472 620 HA ALA 78 HA ALA 78 -13.322 -17.330 -5.901 621 HB1 ALA 78 HB1 ALA 78 -15.146 -17.393 -3.446 622 HB2 ALA 78 HB2 ALA 78 -15.072 -18.626 -4.717 623 HB3 ALA 78 HB3 ALA 78 -13.662 -18.352 -3.680 624 H GLN 79 H GLN 79 -14.806 -17.365 -7.534 625 HA GLN 79 HA GLN 79 -17.450 -16.182 -7.282 626 HB2 GLN 79 HB2 GLN 79 -15.562 -15.386 -9.562 627 HB3 GLN 79 HB3 GLN 79 -17.304 -15.080 -9.509 628 HG2 GLN 79 HG2 GLN 79 -15.411 -13.817 -7.508 629 HG3 GLN 79 HG3 GLN 79 -15.846 -13.099 -9.054 630 HE21 GLN 79 HE22 GLN 79 -17.197 -14.180 -5.933 631 HE22 GLN 79 HE21 GLN 79 -18.760 -13.407 -6.148 632 H LEU 80 H LEU 80 -18.803 -17.015 -9.127 633 HA LEU 80 HA LEU 80 -17.738 -19.497 -10.396 634 HB2 LEU 80 HB2 LEU 80 -20.375 -19.113 -8.901 635 HB3 LEU 80 HB3 LEU 80 -20.136 -20.364 -10.091 636 HG LEU 80 HG LEU 80 -19.973 -21.381 -8.018 637 HD11 LEU 80 HD11 LEU 80 -17.094 -21.137 -8.979 638 HD12 LEU 80 HD12 LEU 80 -17.819 -22.469 -8.063 639 HD13 LEU 80 HD13 LEU 80 -18.344 -22.162 -9.723 640 HD21 LEU 80 HD21 LEU 80 -18.546 -20.849 -6.196 641 HD22 LEU 80 HD22 LEU 80 -17.701 -19.592 -7.106 642 HD23 LEU 80 HD23 LEU 80 -19.404 -19.365 -6.643 643 H SER 81 H SER 81 -18.874 -20.041 -12.340 644 HA SER 81 HA SER 81 -19.634 -19.566 -14.410 645 HB2 SER 81 HB2 SER 81 -21.908 -18.350 -12.806 646 HB3 SER 81 HB3 SER 81 -22.012 -19.104 -14.404 647 HG SER 81 HG SER 81 -22.641 -20.550 -12.714 648 H LYS 82 H LYS 82 -17.752 -17.570 -13.736 649 HA LYS 82 HA LYS 82 -18.651 -14.930 -13.849 650 HB2 LYS 82 HB2 LYS 82 -16.034 -16.085 -14.922 651 HB3 LYS 82 HB3 LYS 82 -16.349 -14.359 -14.709 652 HG2 LYS 82 HG2 LYS 82 -16.721 -14.697 -12.289 653 HG3 LYS 82 HG3 LYS 82 -16.337 -16.415 -12.454 654 HD2 LYS 82 HD2 LYS 82 -14.440 -14.118 -13.116 655 HD3 LYS 82 HD3 LYS 82 -14.427 -15.047 -11.618 656 HE2 LYS 82 HE2 LYS 82 -13.957 -17.135 -12.886 657 HE3 LYS 82 HE3 LYS 82 -13.939 -16.214 -14.399 658 HZ1 LYS 82 HZ1 LYS 82 -12.035 -15.824 -12.150 659 HZ2 LYS 82 HZ2 LYS 82 -11.709 -16.569 -13.563 660 HZ3 LYS 82 HZ3 LYS 82 -12.027 -14.971 -13.553 661 H ASP 83 H ASP 83 -17.662 -16.982 -16.613 662 HA ASP 83 HA ASP 83 -18.082 -15.015 -18.623 663 HB2 ASP 83 HB2 ASP 83 -16.640 -17.039 -18.772 664 HB3 ASP 83 HB3 ASP 83 -18.089 -18.047 -18.838 665 H LEU 84 H LEU 84 -20.493 -16.406 -16.747 666 HA LEU 84 HA LEU 84 -22.506 -16.546 -18.962 667 HB2 LEU 84 HB2 LEU 84 -22.249 -18.265 -16.472 668 HB3 LEU 84 HB3 LEU 84 -23.559 -18.353 -17.629 669 HG LEU 84 HG LEU 84 -20.638 -18.992 -18.251 670 HD11 LEU 84 HD11 LEU 84 -21.627 -20.591 -16.648 671 HD12 LEU 84 HD12 LEU 84 -22.993 -20.863 -17.747 672 HD13 LEU 84 HD13 LEU 84 -21.348 -21.342 -18.227 673 HD21 LEU 84 HD21 LEU 84 -21.856 -18.283 -20.257 674 HD22 LEU 84 HD22 LEU 84 -21.577 -20.026 -20.311 675 HD23 LEU 84 HD23 LEU 84 -23.187 -19.397 -19.880 676 H ASP 85 H ASP 85 -21.726 -15.461 -15.705 677 HA ASP 85 HA ASP 85 -24.397 -14.132 -15.526 678 HB2 ASP 85 HB2 ASP 85 -24.139 -16.099 -14.037 679 HB3 ASP 85 HB3 ASP 85 -22.708 -15.359 -13.321 680 H LYS 86 H LYS 86 -20.883 -13.727 -15.238 681 HA LYS 86 HA LYS 86 -21.322 -10.983 -14.128 682 HB2 LYS 86 HB2 LYS 86 -18.858 -12.706 -13.853 683 HB3 LYS 86 HB3 LYS 86 -19.073 -11.072 -13.249 684 HG2 LYS 86 HG2 LYS 86 -20.527 -13.559 -12.293 685 HG3 LYS 86 HG3 LYS 86 -19.349 -12.549 -11.449 686 HD2 LYS 86 HD2 LYS 86 -21.001 -10.635 -11.498 687 HD3 LYS 86 HD3 LYS 86 -22.169 -11.751 -12.215 688 HE2 LYS 86 HE2 LYS 86 -22.769 -11.860 -10.007 689 HE3 LYS 86 HE3 LYS 86 -21.748 -13.289 -10.201 690 HZ1 LYS 86 HZ1 LYS 86 -21.260 -12.028 -8.176 691 HZ2 LYS 86 HZ2 LYS 86 -19.928 -12.042 -9.121 692 HZ3 LYS 86 HZ3 LYS 86 -20.874 -10.693 -9.030 693 H LEU 87 H LEU 87 -20.778 -12.402 -17.033 694 HA LEU 87 HA LEU 87 -18.999 -10.550 -18.285 695 HB2 LEU 87 HB2 LEU 87 -19.847 -11.162 -20.322 696 HB3 LEU 87 HB3 LEU 87 -19.640 -12.581 -19.350 697 HG LEU 87 HG LEU 87 -21.486 -12.829 -20.666 698 HD11 LEU 87 HD11 LEU 87 -22.659 -12.246 -17.930 699 HD12 LEU 87 HD12 LEU 87 -23.249 -13.410 -19.133 700 HD13 LEU 87 HD13 LEU 87 -21.678 -13.682 -18.352 701 HD21 LEU 87 HD21 LEU 87 -22.001 -10.392 -21.041 702 HD22 LEU 87 HD22 LEU 87 -23.410 -11.466 -20.887 703 HD23 LEU 87 HD23 LEU 87 -22.945 -10.439 -19.525 704 H VAL 88 H VAL 88 -19.758 -8.774 -19.771 705 HA VAL 88 HA VAL 88 -22.243 -7.419 -18.950 706 HB VAL 88 HB VAL 88 -21.110 -5.261 -18.756 707 HG11 VAL 88 HG11 VAL 88 -19.825 -7.224 -16.831 708 HG12 VAL 88 HG12 VAL 88 -20.106 -5.491 -16.588 709 HG13 VAL 88 HG13 VAL 88 -21.485 -6.599 -16.699 710 HG21 VAL 88 HG21 VAL 88 -18.694 -5.035 -18.582 711 HG22 VAL 88 HG22 VAL 88 -18.484 -6.758 -18.975 712 HG23 VAL 88 HG23 VAL 88 -19.163 -5.636 -20.175 713 HA PRO 89 HA PRO 89 -22.449 -7.023 -23.305 714 HB2 PRO 89 HB2 PRO 89 -24.392 -5.170 -23.656 715 HB3 PRO 89 HB3 PRO 89 -24.668 -6.637 -22.677 716 HG2 PRO 89 HG2 PRO 89 -23.913 -3.865 -21.696 717 HG3 PRO 89 HG3 PRO 89 -25.263 -4.907 -21.138 718 HD2 PRO 89 HD2 PRO 89 -22.801 -4.812 -19.921 719 HD3 PRO 89 HD3 PRO 89 -23.807 -6.278 -19.909 720 H ARG 90 H ARG 90 -20.196 -5.590 -22.253 721 HA ARG 90 HA ARG 90 -19.814 -3.341 -24.157 722 HB2 ARG 90 HB2 ARG 90 -19.158 -3.300 -21.179 723 HB3 ARG 90 HB3 ARG 90 -18.622 -2.115 -22.373 724 HG2 ARG 90 HG2 ARG 90 -21.035 -1.608 -22.899 725 HG3 ARG 90 HG3 ARG 90 -21.510 -2.682 -21.557 726 HD2 ARG 90 HD2 ARG 90 -20.216 -1.289 -19.981 727 HD3 ARG 90 HD3 ARG 90 -19.701 -0.260 -21.340 728 HE ARG 90 HE ARG 90 -22.526 -0.353 -21.341 729 HH11 ARG 90 HH11 ARG 90 -19.955 0.968 -19.275 730 HH12 ARG 90 HH12 ARG 90 -20.919 2.262 -18.658 731 HH21 ARG 90 HH21 ARG 90 -23.817 1.362 -20.518 732 HH22 ARG 90 HH22 ARG 90 -23.164 2.480 -19.377 Start of MODEL 19 1 H1 MET 1 H1 MET 1 5.972 0.540 -3.081 2 H2 MET 1 H2 MET 1 5.518 1.628 -4.225 3 H3 MET 1 H3 MET 1 4.461 1.200 -3.062 4 HA MET 1 HA MET 1 5.554 -0.536 -5.180 5 HB2 MET 1 HB2 MET 1 4.194 -2.363 -4.437 6 HB3 MET 1 HB3 MET 1 5.167 -1.816 -3.106 7 HG2 MET 1 HG2 MET 1 3.022 -0.475 -2.388 8 HG3 MET 1 HG3 MET 1 2.189 -1.570 -3.481 9 HE1 MET 1 HE1 MET 1 2.204 -4.211 -3.112 10 HE2 MET 1 HE2 MET 1 3.984 -4.232 -3.035 11 HE3 MET 1 HE3 MET 1 3.034 -5.043 -1.771 12 H GLU 2 H GLU 2 3.521 -1.603 -6.438 13 HA GLU 2 HA GLU 2 1.985 0.734 -7.488 14 HB2 GLU 2 HB2 GLU 2 3.971 -1.195 -8.623 15 HB3 GLU 2 HB3 GLU 2 2.571 -0.931 -9.623 16 HG2 GLU 2 HG2 GLU 2 2.920 1.537 -9.472 17 HG3 GLU 2 HG3 GLU 2 4.343 1.256 -8.469 18 H ILE 3 H ILE 3 0.318 0.022 -5.972 19 HA ILE 3 HA ILE 3 -1.065 -2.494 -6.169 20 HB ILE 3 HB ILE 3 -2.126 0.179 -5.273 21 HG12 ILE 3 HG12 ILE 3 -0.127 -0.296 -3.945 22 HG13 ILE 3 HG13 ILE 3 -1.611 -0.396 -3.036 23 HG21 ILE 3 HG21 ILE 3 -3.085 -2.671 -4.764 24 HG22 ILE 3 HG22 ILE 3 -3.626 -1.267 -3.817 25 HG23 ILE 3 HG23 ILE 3 -3.967 -1.332 -5.538 26 HD11 ILE 3 HD11 ILE 3 0.075 -2.755 -3.887 27 HD12 ILE 3 HD12 ILE 3 -0.143 -2.095 -2.247 28 HD13 ILE 3 HD13 ILE 3 -1.499 -2.887 -3.055 29 H GLU 4 H GLU 4 -3.040 -2.953 -7.381 30 HA GLU 4 HA GLU 4 -4.162 -0.856 -9.127 31 HB2 GLU 4 HB2 GLU 4 -2.445 -2.101 -10.468 32 HB3 GLU 4 HB3 GLU 4 -3.278 -3.586 -10.136 33 HG2 GLU 4 HG2 GLU 4 -4.956 -3.152 -11.621 34 HG3 GLU 4 HG3 GLU 4 -4.959 -1.415 -11.316 35 H ARG 5 H ARG 5 -6.358 -0.917 -8.965 36 HA ARG 5 HA ARG 5 -7.737 -3.172 -7.656 37 HB2 ARG 5 HB2 ARG 5 -8.251 -0.751 -7.166 38 HB3 ARG 5 HB3 ARG 5 -8.760 -0.539 -8.828 39 HG2 ARG 5 HG2 ARG 5 -10.698 -0.789 -7.456 40 HG3 ARG 5 HG3 ARG 5 -10.589 -2.203 -8.495 41 HD2 ARG 5 HD2 ARG 5 -11.303 -2.792 -6.226 42 HD3 ARG 5 HD3 ARG 5 -9.778 -3.557 -6.610 43 HE ARG 5 HE ARG 5 -8.607 -1.954 -5.216 44 HH11 ARG 5 HH21 ARG 5 -12.155 -1.883 -4.772 45 HH12 ARG 5 HH22 ARG 5 -12.052 -1.050 -3.244 46 HH21 ARG 5 HH11 ARG 5 -8.548 -0.750 -3.249 47 HH22 ARG 5 HH12 ARG 5 -10.028 -0.392 -2.413 48 H ILE 6 H ILE 6 -8.068 -4.987 -9.069 49 HA ILE 6 HA ILE 6 -8.316 -4.607 -11.928 50 HB ILE 6 HB ILE 6 -9.024 -7.030 -10.236 51 HG12 ILE 6 HG12 ILE 6 -6.791 -6.553 -9.606 52 HG13 ILE 6 HG13 ILE 6 -6.765 -7.825 -10.773 53 HG21 ILE 6 HG21 ILE 6 -9.862 -7.190 -12.518 54 HG22 ILE 6 HG22 ILE 6 -8.258 -6.799 -13.171 55 HG23 ILE 6 HG23 ILE 6 -8.519 -8.313 -12.270 56 HD11 ILE 6 HD11 ILE 6 -6.305 -5.797 -12.487 57 HD12 ILE 6 HD12 ILE 6 -5.739 -5.030 -10.982 58 HD13 ILE 6 HD13 ILE 6 -5.012 -6.539 -11.544 59 H ASN 7 H ASN 7 -10.487 -5.633 -9.275 60 HA ASN 7 HA ASN 7 -12.809 -4.263 -10.356 61 HB2 ASN 7 HB2 ASN 7 -14.175 -6.101 -10.886 62 HB3 ASN 7 HB3 ASN 7 -12.684 -6.397 -11.732 63 HD21 ASN 7 HD22 ASN 7 -14.183 -8.564 -11.608 64 HD22 ASN 7 HD21 ASN 7 -13.646 -9.671 -10.368 65 H GLU 8 H GLU 8 -14.763 -5.626 -8.805 66 HA GLU 8 HA GLU 8 -14.403 -4.390 -6.332 67 HB2 GLU 8 HB2 GLU 8 -16.530 -5.216 -7.620 68 HB3 GLU 8 HB3 GLU 8 -16.251 -6.752 -6.800 69 HG2 GLU 8 HG2 GLU 8 -17.881 -5.525 -5.559 70 HG3 GLU 8 HG3 GLU 8 -16.419 -5.527 -4.594 71 H HIS 9 H HIS 9 -13.171 -7.510 -7.294 72 HA HIS 9 HA HIS 9 -12.910 -8.422 -4.440 73 HB2 HIS 9 HB2 HIS 9 -13.527 -9.972 -6.986 74 HB3 HIS 9 HB3 HIS 9 -13.204 -10.704 -5.429 75 HD1 HIS 9 HD1 HIS 9 -16.094 -10.276 -7.336 76 HD2 HIS 9 HD2 HIS 9 -15.025 -9.011 -3.463 77 HE1 HIS 9 HE1 HIS 9 -18.269 -9.867 -6.075 78 H THR 10 H THR 10 -11.399 -8.537 -7.717 79 HA THR 10 HA THR 10 -8.958 -9.640 -6.512 80 HB THR 10 HB THR 10 -9.696 -8.968 -9.387 81 HG1 THR 10 HG1 THR 10 -10.317 -11.099 -9.517 82 HG21 THR 10 HG21 THR 10 -7.191 -9.195 -8.954 83 HG22 THR 10 HG22 THR 10 -7.496 -10.859 -8.430 84 HG23 THR 10 HG23 THR 10 -7.861 -10.358 -10.099 85 H VAL 11 H VAL 11 -7.085 -8.560 -6.289 86 HA VAL 11 HA VAL 11 -6.783 -5.868 -7.465 87 HB VAL 11 HB VAL 11 -5.569 -5.058 -5.502 88 HG11 VAL 11 HG11 VAL 11 -8.425 -5.868 -4.781 89 HG12 VAL 11 HG12 VAL 11 -7.485 -4.535 -4.075 90 HG13 VAL 11 HG13 VAL 11 -7.954 -4.480 -5.780 91 HG21 VAL 11 HG21 VAL 11 -4.937 -7.185 -4.419 92 HG22 VAL 11 HG22 VAL 11 -5.771 -6.099 -3.301 93 HG23 VAL 11 HG23 VAL 11 -6.650 -7.481 -4.000 94 H LYS 12 H LYS 12 -4.487 -5.484 -7.957 95 HA LYS 12 HA LYS 12 -2.757 -7.787 -7.377 96 HB2 LYS 12 HB2 LYS 12 -1.894 -8.076 -9.485 97 HB3 LYS 12 HB3 LYS 12 -3.613 -7.937 -9.814 98 HG2 LYS 12 HG2 LYS 12 -3.273 -5.664 -10.582 99 HG3 LYS 12 HG3 LYS 12 -1.539 -5.761 -10.213 100 HD2 LYS 12 HD2 LYS 12 -1.251 -7.639 -11.771 101 HD3 LYS 12 HD3 LYS 12 -2.991 -7.635 -12.168 102 HE2 LYS 12 HE2 LYS 12 -2.843 -5.415 -13.114 103 HE3 LYS 12 HE3 LYS 12 -1.230 -5.209 -12.413 104 HZ1 LYS 12 HZ1 LYS 12 -1.827 -7.131 -14.594 105 HZ2 LYS 12 HZ2 LYS 12 -1.150 -5.659 -14.801 106 HZ3 LYS 12 HZ3 LYS 12 -0.341 -6.795 -13.937 107 H PHE 13 H PHE 13 -0.413 -7.088 -7.720 108 HA PHE 13 HA PHE 13 -0.071 -4.222 -7.779 109 HB2 PHE 13 HB2 PHE 13 1.226 -4.084 -5.688 110 HB3 PHE 13 HB3 PHE 13 -0.462 -4.465 -5.405 111 HD1 PHE 13 HD2 PHE 13 -1.188 -6.730 -4.715 112 HD2 PHE 13 HD1 PHE 13 2.968 -5.698 -5.116 113 HE1 PHE 13 HE2 PHE 13 -0.579 -8.650 -3.271 114 HE2 PHE 13 HE1 PHE 13 3.584 -7.562 -3.589 115 HZ PHE 13 HZ PHE 13 1.793 -8.984 -2.590 116 H TYR 14 H TYR 14 2.091 -3.656 -8.294 117 HA TYR 14 HA TYR 14 3.902 -5.933 -8.909 118 HB2 TYR 14 HB2 TYR 14 3.388 -4.695 -10.891 119 HB3 TYR 14 HB3 TYR 14 3.612 -3.160 -10.086 120 HD1 TYR 14 HD1 TYR 14 5.409 -6.339 -10.858 121 HD2 TYR 14 HD2 TYR 14 5.708 -2.139 -10.037 122 HE1 TYR 14 HE1 TYR 14 7.816 -6.491 -11.266 123 HE2 TYR 14 HE2 TYR 14 8.181 -2.241 -10.444 124 HH TYR 14 HH TYR 14 9.975 -3.572 -11.093 125 H MET 15 H MET 15 5.860 -5.922 -7.916 126 HA MET 15 HA MET 15 6.422 -3.855 -5.848 127 HB2 MET 15 HB2 MET 15 5.213 -5.975 -5.010 128 HB3 MET 15 HB3 MET 15 6.639 -6.865 -5.515 129 HG2 MET 15 HG2 MET 15 8.008 -5.619 -3.996 130 HG3 MET 15 HG3 MET 15 6.660 -4.569 -3.597 131 HE1 MET 15 HE1 MET 15 7.470 -4.965 -1.256 132 HE2 MET 15 HE2 MET 15 5.696 -4.885 -1.160 133 HE3 MET 15 HE3 MET 15 6.563 -6.131 -0.227 134 H SER 16 H SER 16 8.261 -2.998 -6.720 135 HA SER 16 HA SER 16 10.263 -4.537 -8.096 136 HB2 SER 16 HB2 SER 16 10.718 -1.932 -6.638 137 HB3 SER 16 HB3 SER 16 11.556 -2.536 -8.078 138 HG SER 16 HG SER 16 10.001 -0.894 -8.573 139 H TYR 17 H TYR 17 12.322 -5.191 -7.305 140 HA TYR 17 HA TYR 17 12.477 -6.473 -4.870 141 HB2 TYR 17 HB2 TYR 17 14.770 -5.211 -6.400 142 HB3 TYR 17 HB3 TYR 17 14.934 -6.450 -5.166 143 HD1 TYR 17 HD2 TYR 17 12.435 -8.163 -6.111 144 HD2 TYR 17 HD1 TYR 17 15.853 -6.434 -8.127 145 HE1 TYR 17 HE2 TYR 17 12.374 -9.960 -7.752 146 HE2 TYR 17 HE1 TYR 17 15.774 -8.234 -9.802 147 HH TYR 17 HH TYR 17 13.372 -10.914 -9.697 148 H GLY 18 H GLY 18 13.277 -2.996 -5.366 149 HA2 GLY 18 HA2 GLY 18 14.400 -2.920 -2.695 150 HA3 GLY 18 HA3 GLY 18 14.224 -1.569 -3.752 151 H ASP 19 H ASP 19 11.117 -2.755 -3.824 152 HA ASP 19 HA ASP 19 10.127 -1.139 -1.580 153 HB2 ASP 19 HB2 ASP 19 8.852 -1.846 -3.786 154 HB3 ASP 19 HB3 ASP 19 8.593 -3.365 -2.966 155 H ILE 20 H ILE 20 10.772 -4.518 -2.367 156 HA ILE 20 HA ILE 20 9.964 -5.718 0.103 157 HB ILE 20 HB ILE 20 11.683 -6.478 -2.292 158 HG12 ILE 20 HG12 ILE 20 9.164 -7.836 -1.350 159 HG13 ILE 20 HG13 ILE 20 9.111 -6.270 -2.146 160 HG21 ILE 20 HG21 ILE 20 11.887 -8.748 -1.498 161 HG22 ILE 20 HG22 ILE 20 12.724 -7.623 -0.406 162 HG23 ILE 20 HG23 ILE 20 11.137 -8.305 0.050 163 HD11 ILE 20 HD11 ILE 20 8.710 -7.945 -3.794 164 HD12 ILE 20 HD12 ILE 20 10.232 -7.127 -4.130 165 HD13 ILE 20 HD13 ILE 20 10.248 -8.763 -3.410 166 H GLU 21 H GLU 21 13.153 -4.518 -1.132 167 HA GLU 21 HA GLU 21 14.562 -5.251 1.189 168 HB2 GLU 21 HB2 GLU 21 16.342 -4.531 0.123 169 HB3 GLU 21 HB3 GLU 21 15.319 -4.505 -1.288 170 HG2 GLU 21 HG2 GLU 21 14.959 -2.078 -0.804 171 HG3 GLU 21 HG3 GLU 21 16.018 -2.228 0.564 172 H ASP 22 H ASP 22 12.803 -2.290 0.413 173 HA ASP 22 HA ASP 22 13.715 -0.678 2.533 174 HB2 ASP 22 HB2 ASP 22 12.281 0.109 0.648 175 HB3 ASP 22 HB3 ASP 22 10.917 -0.736 1.344 176 H ARG 23 H ARG 23 10.993 -2.930 2.354 177 HA ARG 23 HA ARG 23 10.141 -2.665 5.102 178 HB2 ARG 23 HB2 ARG 23 9.689 -4.814 3.003 179 HB3 ARG 23 HB3 ARG 23 8.820 -4.717 4.549 180 HG2 ARG 23 HG2 ARG 23 7.739 -2.663 3.924 181 HG3 ARG 23 HG3 ARG 23 8.785 -2.462 2.510 182 HD2 ARG 23 HD2 ARG 23 7.890 -4.680 1.647 183 HD3 ARG 23 HD3 ARG 23 6.657 -4.588 2.892 184 HE ARG 23 HE ARG 23 6.913 -3.077 0.402 185 HH11 ARG 23 HH11 ARG 23 5.338 -2.741 3.633 186 HH12 ARG 23 HH12 ARG 23 4.416 -1.380 3.096 187 HH21 ARG 23 HH21 ARG 23 5.719 -1.495 -0.222 188 HH22 ARG 23 HH22 ARG 23 4.554 -0.665 0.803 189 H GLY 24 H GLY 24 12.982 -3.972 3.834 190 HA2 GLY 24 HA2 GLY 24 14.695 -4.953 4.966 191 HA3 GLY 24 HA3 GLY 24 13.635 -5.177 6.361 192 H PHE 25 H PHE 25 12.257 -6.379 3.469 193 HA PHE 25 HA PHE 25 12.905 -9.209 4.135 194 HB2 PHE 25 HB2 PHE 25 10.918 -7.973 2.194 195 HB3 PHE 25 HB3 PHE 25 11.197 -9.708 2.380 196 HD1 PHE 25 HD2 PHE 25 10.075 -6.646 4.158 197 HD2 PHE 25 HD1 PHE 25 9.957 -10.960 4.105 198 HE1 PHE 25 HE2 PHE 25 8.605 -6.618 6.139 199 HE2 PHE 25 HE1 PHE 25 8.557 -10.924 6.098 200 HZ PHE 25 HZ PHE 25 7.866 -8.774 7.153 201 H ASP 26 H ASP 26 13.081 -10.380 1.653 202 HA ASP 26 HA ASP 26 15.044 -8.864 0.033 203 HB2 ASP 26 HB2 ASP 26 16.084 -10.556 1.901 204 HB3 ASP 26 HB3 ASP 26 15.669 -11.725 0.671 205 H ARG 27 H ARG 27 15.036 -9.692 -2.185 206 HA ARG 27 HA ARG 27 12.513 -10.731 -2.983 207 HB2 ARG 27 HB2 ARG 27 13.416 -10.911 -5.214 208 HB3 ARG 27 HB3 ARG 27 13.977 -9.412 -4.476 209 HG2 ARG 27 HG2 ARG 27 16.201 -10.415 -4.073 210 HG3 ARG 27 HG3 ARG 27 15.642 -11.957 -4.751 211 HD2 ARG 27 HD2 ARG 27 15.238 -10.914 -6.914 212 HD3 ARG 27 HD3 ARG 27 15.805 -9.347 -6.287 213 HE ARG 27 HE ARG 27 17.936 -10.801 -5.716 214 HH11 ARG 27 HH11 ARG 27 16.085 -10.802 -8.778 215 HH12 ARG 27 HH12 ARG 27 17.435 -11.307 -9.730 216 HH21 ARG 27 HH21 ARG 27 19.705 -11.463 -7.006 217 HH22 ARG 27 HH22 ARG 27 19.535 -11.654 -8.711 218 H GLU 28 H GLU 28 15.545 -12.438 -2.208 219 HA GLU 28 HA GLU 28 14.516 -15.023 -3.116 220 HB2 GLU 28 HB2 GLU 28 16.899 -14.221 -1.427 221 HB3 GLU 28 HB3 GLU 28 16.524 -15.876 -1.865 222 HG2 GLU 28 HG2 GLU 28 16.613 -15.222 -4.291 223 HG3 GLU 28 HG3 GLU 28 17.142 -13.612 -3.807 224 H GLU 29 H GLU 29 14.887 -13.294 0.005 225 HA GLU 29 HA GLU 29 14.157 -15.463 1.645 226 HB2 GLU 29 HB2 GLU 29 14.012 -12.441 1.989 227 HB3 GLU 29 HB3 GLU 29 13.675 -13.486 3.320 228 HG2 GLU 29 HG2 GLU 29 16.305 -13.760 1.838 229 HG3 GLU 29 HG3 GLU 29 16.014 -12.514 3.033 230 H ILE 30 H ILE 30 12.184 -13.004 0.144 231 HA ILE 30 HA ILE 30 9.634 -13.650 1.224 232 HB ILE 30 HB ILE 30 10.444 -12.729 -1.543 233 HG12 ILE 30 HG12 ILE 30 10.783 -11.277 0.634 234 HG13 ILE 30 HG13 ILE 30 10.239 -10.614 -0.883 235 HG21 ILE 30 HG21 ILE 30 7.616 -12.904 -0.435 236 HG22 ILE 30 HG22 ILE 30 8.086 -11.960 -1.877 237 HG23 ILE 30 HG23 ILE 30 8.270 -13.713 -1.876 238 HD11 ILE 30 HD11 ILE 30 7.918 -10.457 -0.007 239 HD12 ILE 30 HD12 ILE 30 8.405 -11.334 1.470 240 HD13 ILE 30 HD13 ILE 30 9.025 -9.707 1.128 241 H TRP 31 H TRP 31 11.415 -15.216 -1.509 242 HA TRP 31 HA TRP 31 9.260 -17.068 -2.075 243 HB2 TRP 31 HB2 TRP 31 12.190 -17.246 -2.790 244 HB3 TRP 31 HB3 TRP 31 10.937 -18.300 -3.395 245 HD1 TRP 31 HD1 TRP 31 12.860 -15.575 -4.563 246 HE1 TRP 31 HE1 TRP 31 11.752 -14.240 -6.433 247 HE3 TRP 31 HE3 TRP 31 8.113 -17.424 -4.127 248 HZ2 TRP 31 HZ2 TRP 31 9.090 -13.946 -7.555 249 HZ3 TRP 31 HZ3 TRP 31 6.345 -16.696 -5.676 250 HH2 TRP 31 HH2 TRP 31 6.775 -14.924 -7.373 251 H TYR 32 H TYR 32 11.902 -17.083 0.237 252 HA TYR 32 HA TYR 32 11.723 -20.031 0.504 253 HB2 TYR 32 HB2 TYR 32 14.028 -18.110 0.933 254 HB3 TYR 32 HB3 TYR 32 14.137 -19.855 1.021 255 HD1 TYR 32 HD2 TYR 32 12.565 -20.761 -1.359 256 HD2 TYR 32 HD1 TYR 32 15.454 -17.612 -0.850 257 HE1 TYR 32 HE2 TYR 32 13.055 -20.842 -3.760 258 HE2 TYR 32 HE1 TYR 32 15.905 -17.617 -3.273 259 HH TYR 32 HH TYR 32 14.269 -19.905 -5.545 260 H ASN 33 H ASN 33 10.519 -17.614 2.345 261 HA ASN 33 HA ASN 33 11.020 -19.121 4.880 262 HB2 ASN 33 HB2 ASN 33 10.832 -16.139 4.359 263 HB3 ASN 33 HB3 ASN 33 10.720 -16.873 5.951 264 HD21 ASN 33 HD22 ASN 33 12.796 -16.141 3.286 265 HD22 ASN 33 HD21 ASN 33 14.340 -16.403 4.095 266 H ARG 34 H ARG 34 9.140 -20.248 4.954 267 HA ARG 34 HA ARG 34 6.846 -19.751 3.501 268 HB2 ARG 34 HB2 ARG 34 5.954 -21.638 4.522 269 HB3 ARG 34 HB3 ARG 34 7.717 -21.834 4.495 270 HG2 ARG 34 HG2 ARG 34 7.863 -21.272 6.889 271 HG3 ARG 34 HG3 ARG 34 6.097 -21.048 6.957 272 HD2 ARG 34 HD2 ARG 34 5.775 -23.343 6.145 273 HD3 ARG 34 HD3 ARG 34 7.528 -23.590 6.107 274 HE ARG 34 HE ARG 34 6.892 -22.731 8.709 275 HH11 ARG 34 HH12 ARG 34 6.193 -25.568 6.682 276 HH12 ARG 34 HH11 ARG 34 6.022 -26.655 8.013 277 HH21 ARG 34 HH21 ARG 34 6.659 -24.178 10.488 278 HH22 ARG 34 HH22 ARG 34 6.299 -25.846 10.220 279 H GLU 35 H GLU 35 7.598 -18.339 6.495 280 HA GLU 35 HA GLU 35 4.806 -17.377 6.879 281 HB2 GLU 35 HB2 GLU 35 5.318 -17.100 9.173 282 HB3 GLU 35 HB3 GLU 35 5.730 -18.743 8.721 283 HG2 GLU 35 HG2 GLU 35 7.727 -16.457 9.131 284 HG3 GLU 35 HG3 GLU 35 7.317 -17.678 10.316 285 H ARG 36 H ARG 36 8.167 -16.294 6.342 286 HA ARG 36 HA ARG 36 7.449 -13.506 6.894 287 HB2 ARG 36 HB2 ARG 36 9.948 -14.681 5.692 288 HB3 ARG 36 HB3 ARG 36 9.664 -13.006 6.043 289 HG2 ARG 36 HG2 ARG 36 9.982 -15.278 8.018 290 HG3 ARG 36 HG3 ARG 36 10.945 -13.817 7.846 291 HD2 ARG 36 HD2 ARG 36 9.012 -12.449 8.646 292 HD3 ARG 36 HD3 ARG 36 8.091 -13.948 8.893 293 HE ARG 36 HE ARG 36 10.639 -13.997 10.246 294 HH11 ARG 36 HH21 ARG 36 7.277 -12.763 10.555 295 HH12 ARG 36 HH22 ARG 36 7.335 -12.739 12.284 296 HH21 ARG 36 HH11 ARG 36 10.661 -13.955 12.543 297 HH22 ARG 36 HH12 ARG 36 9.285 -13.420 13.432 298 H SER 37 H SER 37 7.233 -15.723 4.251 299 HA SER 37 HA SER 37 6.983 -13.961 2.066 300 HB2 SER 37 HB2 SER 37 5.423 -15.824 1.261 301 HB3 SER 37 HB3 SER 37 7.032 -16.360 1.784 302 HG SER 37 HG SER 37 5.245 -17.625 2.624 303 H GLU 38 H GLU 38 4.531 -15.214 4.353 304 HA GLU 38 HA GLU 38 2.288 -14.030 3.398 305 HB2 GLU 38 HB2 GLU 38 2.778 -15.828 5.253 306 HB3 GLU 38 HB3 GLU 38 2.665 -14.447 6.360 307 HG2 GLU 38 HG2 GLU 38 0.447 -13.916 5.353 308 HG3 GLU 38 HG3 GLU 38 0.562 -15.347 4.336 309 H GLU 39 H GLU 39 4.685 -12.417 5.475 310 HA GLU 39 HA GLU 39 3.100 -10.360 6.505 311 HB2 GLU 39 HB2 GLU 39 5.960 -9.951 5.645 312 HB3 GLU 39 HB3 GLU 39 5.162 -9.334 7.081 313 HG2 GLU 39 HG2 GLU 39 5.992 -12.202 6.630 314 HG3 GLU 39 HG3 GLU 39 6.911 -11.013 7.456 315 H LEU 40 H LEU 40 4.707 -10.709 3.396 316 HA LEU 40 HA LEU 40 4.413 -8.061 2.366 317 HB2 LEU 40 HB2 LEU 40 5.762 -9.849 1.325 318 HB3 LEU 40 HB3 LEU 40 4.307 -10.745 0.975 319 HG LEU 40 HG LEU 40 5.682 -8.851 -0.635 320 HD11 LEU 40 HD11 LEU 40 4.761 -10.976 -1.362 321 HD12 LEU 40 HD12 LEU 40 3.111 -10.345 -1.177 322 HD13 LEU 40 HD13 LEU 40 4.229 -9.638 -2.380 323 HD21 LEU 40 HD21 LEU 40 4.059 -7.301 -1.425 324 HD22 LEU 40 HD22 LEU 40 2.793 -7.959 -0.427 325 HD23 LEU 40 HD23 LEU 40 4.159 -7.057 0.315 326 H PHE 41 H PHE 41 2.304 -10.932 2.121 327 HA PHE 41 HA PHE 41 0.252 -9.667 0.653 328 HB2 PHE 41 HB2 PHE 41 0.103 -12.154 2.385 329 HB3 PHE 41 HB3 PHE 41 -1.020 -11.704 1.116 330 HD1 PHE 41 HD1 PHE 41 2.459 -12.739 1.825 331 HD2 PHE 41 HD2 PHE 41 -0.416 -11.985 -1.277 332 HE1 PHE 41 HE1 PHE 41 4.019 -13.710 0.162 333 HE2 PHE 41 HE2 PHE 41 1.136 -12.995 -2.937 334 HZ PHE 41 HZ PHE 41 3.349 -13.855 -2.232 335 H TRP 42 H TRP 42 0.788 -10.149 4.172 336 HA TRP 42 HA TRP 42 -1.649 -8.911 5.003 337 HB2 TRP 42 HB2 TRP 42 1.045 -9.289 6.319 338 HB3 TRP 42 HB3 TRP 42 -0.222 -8.369 7.099 339 HD1 TRP 42 HD1 TRP 42 0.946 -11.842 6.687 340 HE1 TRP 42 HE1 TRP 42 -0.726 -13.537 7.579 341 HE3 TRP 42 HE3 TRP 42 -3.078 -8.725 7.238 342 HZ2 TRP 42 HZ2 TRP 42 -3.530 -13.547 8.401 343 HZ3 TRP 42 HZ3 TRP 42 -5.249 -9.615 8.042 344 HH2 TRP 42 HH2 TRP 42 -5.488 -12.021 8.623 345 H GLU 43 H GLU 43 1.474 -7.367 3.976 346 HA GLU 43 HA GLU 43 0.752 -4.768 4.968 347 HB2 GLU 43 HB2 GLU 43 2.723 -5.660 2.824 348 HB3 GLU 43 HB3 GLU 43 2.556 -4.008 3.370 349 HG2 GLU 43 HG2 GLU 43 2.981 -5.947 5.593 350 HG3 GLU 43 HG3 GLU 43 4.291 -5.886 4.413 351 H VAL 44 H VAL 44 0.159 -6.494 1.827 352 HA VAL 44 HA VAL 44 -0.876 -4.097 0.608 353 HB VAL 44 HB VAL 44 -1.664 -5.680 -1.109 354 HG11 VAL 44 HG11 VAL 44 0.619 -5.958 -1.986 355 HG12 VAL 44 HG12 VAL 44 0.575 -4.451 -1.072 356 HG13 VAL 44 HG13 VAL 44 1.289 -5.919 -0.345 357 HG21 VAL 44 HG21 VAL 44 -0.697 -7.909 -1.219 358 HG22 VAL 44 HG22 VAL 44 -0.051 -7.695 0.395 359 HG23 VAL 44 HG23 VAL 44 -1.827 -7.775 0.122 360 H MET 45 H MET 45 -2.353 -6.988 2.107 361 HA MET 45 HA MET 45 -5.049 -6.163 1.864 362 HB2 MET 45 HB2 MET 45 -3.511 -7.995 3.660 363 HB3 MET 45 HB3 MET 45 -4.956 -7.300 4.388 364 HG2 MET 45 HG2 MET 45 -5.543 -9.376 3.273 365 HG3 MET 45 HG3 MET 45 -6.317 -7.963 2.558 366 HE1 MET 45 HE1 MET 45 -6.545 -7.662 0.067 367 HE2 MET 45 HE2 MET 45 -6.102 -9.028 -0.986 368 HE3 MET 45 HE3 MET 45 -7.105 -9.313 0.459 369 H ASP 46 H ASP 46 -2.612 -5.254 4.316 370 HA ASP 46 HA ASP 46 -4.227 -3.516 5.824 371 HB2 ASP 46 HB2 ASP 46 -2.023 -4.181 6.554 372 HB3 ASP 46 HB3 ASP 46 -1.264 -3.277 5.259 373 H GLU 47 H GLU 47 -2.380 -2.839 2.808 374 HA GLU 47 HA GLU 47 -2.952 -0.087 2.595 375 HB2 GLU 47 HB2 GLU 47 -1.864 -2.291 0.966 376 HB3 GLU 47 HB3 GLU 47 -2.801 -1.205 -0.003 377 HG2 GLU 47 HG2 GLU 47 -0.436 -0.489 1.763 378 HG3 GLU 47 HG3 GLU 47 -0.411 -0.701 0.035 379 H VAL 48 H VAL 48 -5.125 -2.696 2.466 380 HA VAL 48 HA VAL 48 -7.189 -1.112 1.004 381 HB VAL 48 HB VAL 48 -6.886 -4.152 1.065 382 HG11 VAL 48 HG11 VAL 48 -8.497 -4.034 -0.880 383 HG12 VAL 48 HG12 VAL 48 -9.196 -3.513 0.637 384 HG13 VAL 48 HG13 VAL 48 -8.698 -2.291 -0.538 385 HG21 VAL 48 HG21 VAL 48 -6.182 -4.095 -1.237 386 HG22 VAL 48 HG22 VAL 48 -6.297 -2.313 -1.303 387 HG23 VAL 48 HG23 VAL 48 -5.054 -3.103 -0.332 388 H HIS 49 H HIS 49 -6.234 -1.949 4.019 389 HA HIS 49 HA HIS 49 -8.160 -3.490 5.075 390 HB2 HIS 49 HB2 HIS 49 -6.088 -2.734 6.219 391 HB3 HIS 49 HB3 HIS 49 -6.928 -1.254 6.674 392 HD1 HIS 49 HD1 HIS 49 -7.468 -1.609 9.238 393 HD2 HIS 49 HD2 HIS 49 -8.164 -4.962 6.788 394 HE1 HIS 49 HE1 HIS 49 -8.524 -3.377 10.734 395 H GLU 50 H GLU 50 -8.610 -0.019 4.505 396 HA GLU 50 HA GLU 50 -10.935 0.324 6.106 397 HB2 GLU 50 HB2 GLU 50 -10.013 1.764 3.587 398 HB3 GLU 50 HB3 GLU 50 -11.335 2.313 4.631 399 HG2 GLU 50 HG2 GLU 50 -9.743 2.451 6.554 400 HG3 GLU 50 HG3 GLU 50 -8.418 2.039 5.464 401 H GLU 51 H GLU 51 -10.559 -1.476 3.210 402 HA GLU 51 HA GLU 51 -13.496 -1.591 2.769 403 HB2 GLU 51 HB2 GLU 51 -11.143 -2.080 0.916 404 HB3 GLU 51 HB3 GLU 51 -12.809 -2.518 0.534 405 HG2 GLU 51 HG2 GLU 51 -13.533 -0.198 0.732 406 HG3 GLU 51 HG3 GLU 51 -11.946 0.312 1.275 407 H GLU 52 H GLU 52 -10.449 -3.473 3.189 408 HA GLU 52 HA GLU 52 -11.601 -6.063 3.065 409 HB2 GLU 52 HB2 GLU 52 -9.200 -5.062 4.544 410 HB3 GLU 52 HB3 GLU 52 -9.659 -6.732 4.552 411 HG2 GLU 52 HG2 GLU 52 -9.029 -5.096 2.076 412 HG3 GLU 52 HG3 GLU 52 -7.936 -6.214 2.840 413 H GLU 53 H GLU 53 -11.647 -3.623 5.717 414 HA GLU 53 HA GLU 53 -12.421 -5.338 7.787 415 HB2 GLU 53 HB2 GLU 53 -13.256 -3.374 8.919 416 HB3 GLU 53 HB3 GLU 53 -11.722 -3.022 8.137 417 HG2 GLU 53 HG2 GLU 53 -12.885 -1.824 6.330 418 HG3 GLU 53 HG3 GLU 53 -14.453 -2.301 6.972 419 H PHE 54 H PHE 54 -14.278 -4.671 4.964 420 HA PHE 54 HA PHE 54 -16.625 -5.959 6.254 421 HB2 PHE 54 HB2 PHE 54 -18.146 -4.663 4.869 422 HB3 PHE 54 HB3 PHE 54 -17.263 -3.690 6.010 423 HD1 PHE 54 HD1 PHE 54 -17.340 -4.657 2.362 424 HD2 PHE 54 HD2 PHE 54 -16.154 -1.729 5.305 425 HE1 PHE 54 HE1 PHE 54 -16.784 -3.060 0.554 426 HE2 PHE 54 HE2 PHE 54 -15.639 -0.122 3.486 427 HZ PHE 54 HZ PHE 54 -15.944 -0.785 1.109 428 H ALA 55 H ALA 55 -14.161 -6.730 4.498 429 HA ALA 55 HA ALA 55 -15.742 -8.609 2.827 430 HB1 ALA 55 HB1 ALA 55 -14.729 -6.864 1.350 431 HB2 ALA 55 HB2 ALA 55 -13.120 -7.300 1.981 432 HB3 ALA 55 HB3 ALA 55 -14.068 -8.483 1.054 433 H VAL 56 H VAL 56 -13.526 -8.291 5.348 434 HA VAL 56 HA VAL 56 -12.209 -10.784 4.900 435 HB VAL 56 HB VAL 56 -11.153 -8.919 6.018 436 HG11 VAL 56 HG11 VAL 56 -13.140 -8.093 7.358 437 HG12 VAL 56 HG12 VAL 56 -12.837 -9.419 8.492 438 HG13 VAL 56 HG13 VAL 56 -11.602 -8.180 8.226 439 HG21 VAL 56 HG21 VAL 56 -10.410 -11.219 6.310 440 HG22 VAL 56 HG22 VAL 56 -10.061 -10.223 7.748 441 HG23 VAL 56 HG23 VAL 56 -11.424 -11.379 7.758 442 H GLU 57 H GLU 57 -14.338 -11.718 4.348 443 HA GLU 57 HA GLU 57 -15.413 -13.361 6.528 444 HB2 GLU 57 HB2 GLU 57 -17.713 -12.467 6.083 445 HB3 GLU 57 HB3 GLU 57 -16.662 -11.371 6.925 446 HG2 GLU 57 HG2 GLU 57 -16.389 -9.922 5.117 447 HG3 GLU 57 HG3 GLU 57 -16.858 -11.115 3.924 448 H GLY 58 H GLY 58 -13.886 -13.894 4.164 449 HA2 GLY 58 HA2 GLY 58 -15.441 -15.901 2.822 450 HA3 GLY 58 HA3 GLY 58 -15.150 -14.500 1.779 451 HA PRO 59 HA PRO 59 -11.451 -17.392 1.827 452 HB2 PRO 59 HB2 PRO 59 -11.380 -18.078 -0.810 453 HB3 PRO 59 HB3 PRO 59 -12.444 -18.881 0.375 454 HG2 PRO 59 HG2 PRO 59 -13.156 -16.619 -1.520 455 HG3 PRO 59 HG3 PRO 59 -14.026 -18.160 -1.222 456 HD2 PRO 59 HD2 PRO 59 -14.765 -15.862 -0.001 457 HD3 PRO 59 HD3 PRO 59 -14.860 -17.457 0.813 458 H LEU 60 H LEU 60 -9.418 -17.144 0.475 459 HA LEU 60 HA LEU 60 -9.069 -14.566 -0.912 460 HB2 LEU 60 HB2 LEU 60 -8.287 -14.295 1.510 461 HB3 LEU 60 HB3 LEU 60 -7.160 -15.635 1.196 462 HG LEU 60 HG LEU 60 -5.992 -14.298 -0.512 463 HD11 LEU 60 HD11 LEU 60 -7.877 -12.041 0.314 464 HD12 LEU 60 HD12 LEU 60 -6.420 -11.858 -0.695 465 HD13 LEU 60 HD13 LEU 60 -7.791 -12.791 -1.293 466 HD21 LEU 60 HD21 LEU 60 -6.281 -12.861 2.158 467 HD22 LEU 60 HD22 LEU 60 -5.223 -14.249 1.824 468 HD23 LEU 60 HD23 LEU 60 -4.921 -12.700 1.020 469 H TRP 61 H TRP 61 -7.467 -14.760 -2.525 470 HA TRP 61 HA TRP 61 -6.358 -17.467 -3.043 471 HB2 TRP 61 HB2 TRP 61 -7.863 -15.552 -4.850 472 HB3 TRP 61 HB3 TRP 61 -7.138 -16.990 -5.465 473 HD1 TRP 61 HD1 TRP 61 -10.113 -15.711 -3.456 474 HE1 TRP 61 HE1 TRP 61 -11.948 -17.518 -3.350 475 HE3 TRP 61 HE3 TRP 61 -7.523 -19.564 -5.525 476 HZ2 TRP 61 HZ2 TRP 61 -12.221 -20.324 -4.059 477 HZ3 TRP 61 HZ3 TRP 61 -8.573 -21.815 -5.819 478 HH2 TRP 61 HH2 TRP 61 -10.924 -22.190 -5.090 479 H ILE 62 H ILE 62 -4.370 -17.337 -4.349 480 HA ILE 62 HA ILE 62 -3.214 -14.627 -4.721 481 HB ILE 62 HB ILE 62 -1.645 -16.897 -3.485 482 HG12 ILE 62 HG12 ILE 62 -3.430 -16.554 -1.824 483 HG13 ILE 62 HG13 ILE 62 -1.811 -16.249 -1.272 484 HG21 ILE 62 HG21 ILE 62 -0.151 -15.119 -2.690 485 HG22 ILE 62 HG22 ILE 62 -0.329 -15.089 -4.445 486 HG23 ILE 62 HG23 ILE 62 -1.167 -13.885 -3.453 487 HD11 ILE 62 HD11 ILE 62 -2.183 -13.813 -1.307 488 HD12 ILE 62 HD12 ILE 62 -3.839 -14.071 -1.905 489 HD13 ILE 62 HD13 ILE 62 -3.373 -14.657 -0.307 490 H GLN 63 H GLN 63 -1.930 -14.506 -6.573 491 HA GLN 63 HA GLN 63 -0.406 -16.889 -7.288 492 HB2 GLN 63 HB2 GLN 63 -0.794 -16.752 -9.699 493 HB3 GLN 63 HB3 GLN 63 -2.261 -17.183 -8.831 494 HG2 GLN 63 HG2 GLN 63 -3.120 -14.882 -9.067 495 HG3 GLN 63 HG3 GLN 63 -1.606 -14.391 -9.848 496 HE21 GLN 63 HE22 GLN 63 -4.587 -16.352 -10.296 497 HE22 GLN 63 HE21 GLN 63 -4.430 -16.455 -12.032 498 H VAL 64 H VAL 64 1.498 -16.243 -8.744 499 HA VAL 64 HA VAL 64 2.251 -13.399 -8.572 500 HB VAL 64 HB VAL 64 2.566 -14.341 -6.308 501 HG11 VAL 64 HG11 VAL 64 4.316 -15.907 -5.828 502 HG12 VAL 64 HG12 VAL 64 3.188 -16.674 -6.940 503 HG13 VAL 64 HG13 VAL 64 4.739 -16.061 -7.560 504 HG21 VAL 64 HG21 VAL 64 5.171 -13.545 -7.657 505 HG22 VAL 64 HG22 VAL 64 3.908 -12.442 -7.146 506 HG23 VAL 64 HG23 VAL 64 4.757 -13.427 -5.935 507 H GLN 65 H GLN 65 4.220 -12.903 -9.767 508 HA GLN 65 HA GLN 65 5.707 -15.177 -10.817 509 HB2 GLN 65 HB2 GLN 65 5.899 -14.045 -13.033 510 HB3 GLN 65 HB3 GLN 65 4.358 -14.839 -12.764 511 HG2 GLN 65 HG2 GLN 65 4.576 -11.875 -12.156 512 HG3 GLN 65 HG3 GLN 65 4.579 -12.400 -13.826 513 HE21 GLN 65 HE22 GLN 65 2.530 -11.908 -11.023 514 HE22 GLN 65 HE21 GLN 65 1.065 -12.391 -11.866 515 H ALA 66 H ALA 66 7.822 -14.612 -11.189 516 HA ALA 66 HA ALA 66 8.847 -12.076 -10.059 517 HB1 ALA 66 HB1 ALA 66 10.090 -14.205 -9.645 518 HB2 ALA 66 HB2 ALA 66 10.292 -14.417 -11.397 519 HB3 ALA 66 HB3 ALA 66 11.051 -13.041 -10.578 520 H LEU 67 H LEU 67 9.736 -10.491 -11.311 521 HA LEU 67 HA LEU 67 9.799 -10.661 -14.274 522 HB2 LEU 67 HB2 LEU 67 8.988 -8.325 -12.465 523 HB3 LEU 67 HB3 LEU 67 9.207 -8.218 -14.195 524 HG LEU 67 HG LEU 67 7.435 -10.349 -14.039 525 HD11 LEU 67 HD11 LEU 67 5.645 -9.722 -12.562 526 HD12 LEU 67 HD12 LEU 67 7.116 -10.107 -11.672 527 HD13 LEU 67 HD13 LEU 67 6.645 -8.403 -11.888 528 HD21 LEU 67 HD21 LEU 67 7.233 -8.382 -15.541 529 HD22 LEU 67 HD22 LEU 67 5.701 -8.743 -14.714 530 HD23 LEU 67 HD23 LEU 67 6.719 -7.394 -14.150 531 H ASP 68 H ASP 68 11.238 -8.541 -14.913 532 HA ASP 68 HA ASP 68 13.796 -9.486 -14.394 533 HB2 ASP 68 HB2 ASP 68 13.070 -8.232 -16.404 534 HB3 ASP 68 HB3 ASP 68 13.040 -6.741 -15.451 535 H LYS 69 H LYS 69 12.150 -6.856 -12.673 536 HA LYS 69 HA LYS 69 14.415 -6.733 -10.760 537 HB2 LYS 69 HB2 LYS 69 13.129 -4.343 -12.064 538 HB3 LYS 69 HB3 LYS 69 14.235 -4.230 -10.706 539 HG2 LYS 69 HG2 LYS 69 14.975 -5.363 -13.423 540 HG3 LYS 69 HG3 LYS 69 15.277 -3.730 -12.897 541 HD2 LYS 69 HD2 LYS 69 16.715 -4.500 -11.061 542 HD3 LYS 69 HD3 LYS 69 16.431 -6.185 -11.479 543 HE2 LYS 69 HE2 LYS 69 17.702 -4.145 -13.358 544 HE3 LYS 69 HE3 LYS 69 18.613 -5.232 -12.308 545 HZ1 LYS 69 HZ1 LYS 69 17.594 -7.111 -13.477 546 HZ2 LYS 69 HZ2 LYS 69 16.799 -6.102 -14.501 547 HZ3 LYS 69 HZ3 LYS 69 18.437 -6.161 -14.504 548 H GLY 70 H GLY 70 11.623 -7.928 -10.688 549 HA2 GLY 70 HA2 GLY 70 10.772 -7.030 -8.106 550 HA3 GLY 70 HA3 GLY 70 9.825 -6.234 -9.352 551 H LEU 71 H LEU 71 8.155 -7.508 -8.127 552 HA LEU 71 HA LEU 71 7.571 -10.068 -9.588 553 HB2 LEU 71 HB2 LEU 71 6.953 -9.371 -6.667 554 HB3 LEU 71 HB3 LEU 71 6.268 -10.723 -7.566 555 HG LEU 71 HG LEU 71 8.395 -11.851 -7.670 556 HD11 LEU 71 HD11 LEU 71 9.432 -9.534 -5.982 557 HD12 LEU 71 HD12 LEU 71 10.213 -11.144 -6.072 558 HD13 LEU 71 HD13 LEU 71 10.090 -10.162 -7.519 559 HD21 LEU 71 HD21 LEU 71 7.531 -10.955 -4.874 560 HD22 LEU 71 HD22 LEU 71 6.791 -12.255 -5.829 561 HD23 LEU 71 HD23 LEU 71 8.442 -12.433 -5.239 562 H GLU 72 H GLU 72 5.413 -10.209 -10.225 563 HA GLU 72 HA GLU 72 3.555 -8.047 -9.329 564 HB2 GLU 72 HB2 GLU 72 3.363 -9.819 -11.798 565 HB3 GLU 72 HB3 GLU 72 1.968 -9.072 -11.057 566 HG2 GLU 72 HG2 GLU 72 2.920 -6.819 -11.390 567 HG3 GLU 72 HG3 GLU 72 4.261 -7.532 -12.281 568 H ILE 73 H ILE 73 2.015 -8.694 -8.001 569 HA ILE 73 HA ILE 73 1.511 -11.584 -7.579 570 HB ILE 73 HB ILE 73 1.312 -9.255 -5.641 571 HG12 ILE 73 HG12 ILE 73 2.883 -10.346 -4.131 572 HG13 ILE 73 HG13 ILE 73 3.187 -11.622 -5.243 573 HG21 ILE 73 HG21 ILE 73 0.685 -12.209 -5.195 574 HG22 ILE 73 HG22 ILE 73 0.676 -10.959 -3.925 575 HG23 ILE 73 HG23 ILE 73 -0.480 -10.863 -5.236 576 HD11 ILE 73 HD11 ILE 73 4.365 -10.102 -6.734 577 HD12 ILE 73 HD12 ILE 73 3.812 -8.683 -5.826 578 HD13 ILE 73 HD13 ILE 73 4.956 -9.832 -5.092 579 H ILE 74 H ILE 74 -0.657 -12.089 -7.884 580 HA ILE 74 HA ILE 74 -2.667 -9.867 -7.996 581 HB ILE 74 HB ILE 74 -2.824 -12.552 -9.391 582 HG12 ILE 74 HG12 ILE 74 -3.004 -11.339 -11.514 583 HG13 ILE 74 HG13 ILE 74 -2.661 -9.824 -10.726 584 HG21 ILE 74 HG21 ILE 74 -5.030 -11.774 -8.621 585 HG22 ILE 74 HG22 ILE 74 -4.766 -10.193 -9.377 586 HG23 ILE 74 HG23 ILE 74 -4.939 -11.657 -10.372 587 HD11 ILE 74 HD11 ILE 74 -0.703 -12.145 -10.784 588 HD12 ILE 74 HD12 ILE 74 -0.795 -10.901 -12.054 589 HD13 ILE 74 HD13 ILE 74 -0.350 -10.432 -10.414 590 H VAL 75 H VAL 75 -4.438 -10.190 -6.545 591 HA VAL 75 HA VAL 75 -4.640 -12.786 -5.256 592 HB VAL 75 HB VAL 75 -5.117 -11.774 -3.028 593 HG11 VAL 75 HG11 VAL 75 -2.274 -11.251 -3.987 594 HG12 VAL 75 HG12 VAL 75 -2.804 -11.600 -2.331 595 HG13 VAL 75 HG13 VAL 75 -2.957 -12.834 -3.596 596 HG21 VAL 75 HG21 VAL 75 -5.430 -9.439 -3.680 597 HG22 VAL 75 HG22 VAL 75 -4.128 -9.619 -2.473 598 HG23 VAL 75 HG23 VAL 75 -3.713 -9.344 -4.180 599 H THR 76 H THR 76 -6.759 -13.337 -4.633 600 HA THR 76 HA THR 76 -8.811 -11.750 -6.079 601 HB THR 76 HB THR 76 -8.983 -13.168 -7.725 602 HG1 THR 76 HG1 THR 76 -9.426 -15.279 -7.600 603 HG21 THR 76 HG21 THR 76 -6.538 -13.221 -7.782 604 HG22 THR 76 HG22 THR 76 -6.511 -14.637 -6.718 605 HG23 THR 76 HG23 THR 76 -7.212 -14.749 -8.343 606 H LYS 77 H LYS 77 -11.034 -12.635 -5.674 607 HA LYS 77 HA LYS 77 -11.450 -14.174 -3.228 608 HB2 LYS 77 HB2 LYS 77 -12.268 -11.260 -3.478 609 HB3 LYS 77 HB3 LYS 77 -13.149 -12.377 -2.456 610 HG2 LYS 77 HG2 LYS 77 -11.713 -12.074 -0.798 611 HG3 LYS 77 HG3 LYS 77 -10.446 -12.781 -1.737 612 HD2 LYS 77 HD2 LYS 77 -9.679 -10.652 -0.948 613 HD3 LYS 77 HD3 LYS 77 -9.861 -10.597 -2.706 614 HE2 LYS 77 HE2 LYS 77 -12.118 -9.480 -2.360 615 HE3 LYS 77 HE3 LYS 77 -11.832 -9.494 -0.618 616 HZ1 LYS 77 HZ1 LYS 77 -10.062 -8.090 -2.558 617 HZ2 LYS 77 HZ2 LYS 77 -11.280 -7.357 -1.738 618 HZ3 LYS 77 HZ3 LYS 77 -10.029 -7.952 -0.897 619 H ALA 78 H ALA 78 -13.790 -14.706 -3.041 620 HA ALA 78 HA ALA 78 -15.157 -14.858 -5.698 621 HB1 ALA 78 HB1 ALA 78 -15.362 -17.285 -5.387 622 HB2 ALA 78 HB2 ALA 78 -13.656 -16.825 -5.348 623 HB3 ALA 78 HB3 ALA 78 -14.514 -17.190 -3.828 624 H GLN 79 H GLN 79 -15.798 -13.201 -3.340 625 HA GLN 79 HA GLN 79 -17.889 -14.714 -1.901 626 HB2 GLN 79 HB2 GLN 79 -17.777 -12.997 -0.228 627 HB3 GLN 79 HB3 GLN 79 -16.181 -13.634 -0.592 628 HG2 GLN 79 HG2 GLN 79 -15.673 -11.591 -1.948 629 HG3 GLN 79 HG3 GLN 79 -17.284 -10.966 -1.592 630 HE21 GLN 79 HE22 GLN 79 -14.273 -12.141 0.094 631 HE22 GLN 79 HE21 GLN 79 -14.443 -11.044 1.448 632 H LEU 80 H LEU 80 -18.151 -13.368 -4.752 633 HA LEU 80 HA LEU 80 -20.032 -11.307 -4.666 634 HB2 LEU 80 HB2 LEU 80 -18.944 -12.116 -6.724 635 HB3 LEU 80 HB3 LEU 80 -19.809 -13.651 -6.597 636 HG LEU 80 HG LEU 80 -21.965 -12.499 -6.975 637 HD11 LEU 80 HD11 LEU 80 -21.462 -10.246 -6.074 638 HD12 LEU 80 HD12 LEU 80 -20.289 -9.976 -7.382 639 HD13 LEU 80 HD13 LEU 80 -22.019 -10.149 -7.744 640 HD21 LEU 80 HD21 LEU 80 -19.856 -11.861 -9.076 641 HD22 LEU 80 HD22 LEU 80 -20.688 -13.417 -8.865 642 HD23 LEU 80 HD23 LEU 80 -21.611 -11.984 -9.345 643 H SER 81 H SER 81 -20.574 -14.828 -4.303 644 HA SER 81 HA SER 81 -23.366 -14.837 -4.316 645 HB2 SER 81 HB2 SER 81 -21.619 -16.746 -2.748 646 HB3 SER 81 HB3 SER 81 -23.177 -17.062 -3.525 647 HG SER 81 HG SER 81 -21.392 -17.850 -4.775 648 H LYS 82 H LYS 82 -21.604 -13.135 -2.019 649 HA LYS 82 HA LYS 82 -23.158 -13.473 0.343 650 HB2 LYS 82 HB2 LYS 82 -21.109 -12.055 0.135 651 HB3 LYS 82 HB3 LYS 82 -21.973 -10.971 -0.952 652 HG2 LYS 82 HG2 LYS 82 -21.810 -9.975 1.222 653 HG3 LYS 82 HG3 LYS 82 -23.507 -10.336 0.898 654 HD2 LYS 82 HD2 LYS 82 -23.358 -12.365 2.323 655 HD3 LYS 82 HD3 LYS 82 -21.644 -12.060 2.615 656 HE2 LYS 82 HE2 LYS 82 -23.955 -10.234 3.436 657 HE3 LYS 82 HE3 LYS 82 -23.126 -11.381 4.491 658 HZ1 LYS 82 HZ1 LYS 82 -21.908 -8.974 3.268 659 HZ2 LYS 82 HZ2 LYS 82 -22.206 -9.234 4.849 660 HZ3 LYS 82 HZ3 LYS 82 -21.048 -10.113 4.087 661 H ASP 83 H ASP 83 -23.887 -12.116 -2.837 662 HA ASP 83 HA ASP 83 -26.743 -11.821 -2.019 663 HB2 ASP 83 HB2 ASP 83 -26.000 -9.648 -2.789 664 HB3 ASP 83 HB3 ASP 83 -25.192 -10.365 -4.190 665 H LEU 84 H LEU 84 -27.943 -13.509 -2.865 666 HA LEU 84 HA LEU 84 -27.223 -14.864 -5.328 667 HB2 LEU 84 HB2 LEU 84 -25.600 -15.837 -3.710 668 HB3 LEU 84 HB3 LEU 84 -26.924 -16.248 -2.616 669 HG LEU 84 HG LEU 84 -27.814 -17.757 -4.512 670 HD11 LEU 84 HD11 LEU 84 -26.140 -18.478 -6.196 671 HD12 LEU 84 HD12 LEU 84 -26.506 -16.762 -6.384 672 HD13 LEU 84 HD13 LEU 84 -24.994 -17.261 -5.589 673 HD21 LEU 84 HD21 LEU 84 -26.673 -18.648 -2.531 674 HD22 LEU 84 HD22 LEU 84 -26.241 -19.570 -3.978 675 HD23 LEU 84 HD23 LEU 84 -25.090 -18.397 -3.302 676 H ASP 85 H ASP 85 -28.991 -15.983 -6.005 677 HA ASP 85 HA ASP 85 -31.098 -16.636 -6.324 678 HB2 ASP 85 HB2 ASP 85 -30.491 -18.251 -4.590 679 HB3 ASP 85 HB3 ASP 85 -31.124 -17.174 -3.346 680 H LYS 86 H LYS 86 -30.778 -14.011 -4.008 681 HA LYS 86 HA LYS 86 -33.525 -13.308 -3.765 682 HB2 LYS 86 HB2 LYS 86 -31.099 -11.497 -3.743 683 HB3 LYS 86 HB3 LYS 86 -32.725 -11.053 -3.234 684 HG2 LYS 86 HG2 LYS 86 -30.864 -13.068 -1.925 685 HG3 LYS 86 HG3 LYS 86 -31.450 -11.519 -1.320 686 HD2 LYS 86 HD2 LYS 86 -33.775 -12.444 -1.224 687 HD3 LYS 86 HD3 LYS 86 -33.105 -14.042 -1.674 688 HE2 LYS 86 HE2 LYS 86 -31.631 -14.008 0.292 689 HE3 LYS 86 HE3 LYS 86 -32.213 -12.392 0.724 690 HZ1 LYS 86 HZ1 LYS 86 -33.883 -14.852 0.667 691 HZ2 LYS 86 HZ2 LYS 86 -33.323 -14.117 2.014 692 HZ3 LYS 86 HZ3 LYS 86 -34.422 -13.359 1.078 693 H LEU 87 H LEU 87 -34.745 -11.626 -4.814 694 HA LEU 87 HA LEU 87 -34.556 -11.594 -7.689 695 HB2 LEU 87 HB2 LEU 87 -36.282 -10.214 -5.592 696 HB3 LEU 87 HB3 LEU 87 -36.307 -9.659 -7.233 697 HG LEU 87 HG LEU 87 -38.177 -11.096 -6.795 698 HD11 LEU 87 HD11 LEU 87 -38.034 -12.520 -8.737 699 HD12 LEU 87 HD12 LEU 87 -37.173 -11.004 -9.070 700 HD13 LEU 87 HD13 LEU 87 -36.264 -12.493 -8.705 701 HD21 LEU 87 HD21 LEU 87 -36.211 -13.378 -6.361 702 HD22 LEU 87 HD22 LEU 87 -37.146 -12.557 -5.086 703 HD23 LEU 87 HD23 LEU 87 -37.986 -13.466 -6.352 704 H VAL 88 H VAL 88 -34.436 -9.570 -8.940 705 HA VAL 88 HA VAL 88 -32.760 -7.420 -7.797 706 HB VAL 88 HB VAL 88 -31.263 -7.491 -9.731 707 HG11 VAL 88 HG11 VAL 88 -30.603 -8.684 -7.666 708 HG12 VAL 88 HG12 VAL 88 -31.252 -10.193 -8.342 709 HG13 VAL 88 HG13 VAL 88 -29.894 -9.373 -9.132 710 HG21 VAL 88 HG21 VAL 88 -32.711 -8.538 -11.391 711 HG22 VAL 88 HG22 VAL 88 -31.164 -9.377 -11.264 712 HG23 VAL 88 HG23 VAL 88 -32.613 -10.093 -10.526 713 HA PRO 89 HA PRO 89 -35.400 -4.692 -10.047 714 HB2 PRO 89 HB2 PRO 89 -32.936 -3.572 -11.386 715 HB3 PRO 89 HB3 PRO 89 -34.281 -2.706 -10.580 716 HG2 PRO 89 HG2 PRO 89 -31.909 -3.053 -9.326 717 HG3 PRO 89 HG3 PRO 89 -33.449 -3.229 -8.426 718 HD2 PRO 89 HD2 PRO 89 -31.647 -5.392 -9.480 719 HD3 PRO 89 HD3 PRO 89 -32.581 -5.323 -7.971 720 H ARG 90 H ARG 90 -36.258 -4.156 -12.149 721 HA ARG 90 HA ARG 90 -35.306 -5.658 -14.506 722 HB2 ARG 90 HB2 ARG 90 -38.031 -5.964 -13.279 723 HB3 ARG 90 HB3 ARG 90 -37.687 -6.245 -14.993 724 HG2 ARG 90 HG2 ARG 90 -35.904 -7.914 -14.370 725 HG3 ARG 90 HG3 ARG 90 -36.323 -7.664 -12.661 726 HD2 ARG 90 HD2 ARG 90 -37.549 -9.582 -13.289 727 HD3 ARG 90 HD3 ARG 90 -38.670 -8.194 -13.257 728 HE ARG 90 HE ARG 90 -37.593 -8.576 -15.883 729 HH11 ARG 90 HH11 ARG 90 -39.980 -10.034 -13.691 730 HH12 ARG 90 HH12 ARG 90 -40.964 -10.677 -14.959 731 HH21 ARG 90 HH21 ARG 90 -38.917 -9.410 -17.578 732 HH22 ARG 90 HH22 ARG 90 -40.339 -10.316 -17.212 Start of MODEL 20 1 H1 MET 1 H1 MET 1 7.707 -0.216 -5.269 2 H2 MET 1 H2 MET 1 6.826 0.588 -6.416 3 H3 MET 1 H3 MET 1 6.799 1.110 -4.856 4 HA MET 1 HA MET 1 5.807 -1.463 -5.848 5 HB2 MET 1 HB2 MET 1 6.543 -1.550 -3.462 6 HB3 MET 1 HB3 MET 1 5.418 -0.265 -3.078 7 HG2 MET 1 HG2 MET 1 3.538 -1.763 -3.769 8 HG3 MET 1 HG3 MET 1 4.716 -3.001 -4.229 9 HE1 MET 1 HE1 MET 1 2.487 -4.004 -2.570 10 HE2 MET 1 HE2 MET 1 3.945 -5.000 -2.776 11 HE3 MET 1 HE3 MET 1 3.244 -4.792 -1.163 12 H GLU 2 H GLU 2 3.690 -1.606 -6.406 13 HA GLU 2 HA GLU 2 2.405 0.974 -7.195 14 HB2 GLU 2 HB2 GLU 2 4.089 -1.091 -8.574 15 HB3 GLU 2 HB3 GLU 2 2.620 -0.811 -9.409 16 HG2 GLU 2 HG2 GLU 2 4.313 0.599 -10.342 17 HG3 GLU 2 HG3 GLU 2 3.126 1.619 -9.538 18 H ILE 3 H ILE 3 0.088 0.691 -7.141 19 HA ILE 3 HA ILE 3 -0.861 -2.069 -6.451 20 HB ILE 3 HB ILE 3 -1.891 0.542 -5.350 21 HG12 ILE 3 HG12 ILE 3 0.327 0.287 -4.423 22 HG13 ILE 3 HG13 ILE 3 -0.909 -0.056 -3.237 23 HG21 ILE 3 HG21 ILE 3 -2.503 -2.372 -4.661 24 HG22 ILE 3 HG22 ILE 3 -2.973 -0.990 -3.646 25 HG23 ILE 3 HG23 ILE 3 -3.622 -1.129 -5.269 26 HD11 ILE 3 HD11 ILE 3 0.822 -2.123 -4.604 27 HD12 ILE 3 HD12 ILE 3 0.926 -1.582 -2.929 28 HD13 ILE 3 HD13 ILE 3 -0.492 -2.499 -3.463 29 H GLU 4 H GLU 4 -2.947 -2.668 -7.320 30 HA GLU 4 HA GLU 4 -4.428 -0.687 -8.947 31 HB2 GLU 4 HB2 GLU 4 -2.926 -2.067 -10.416 32 HB3 GLU 4 HB3 GLU 4 -3.639 -3.506 -9.721 33 HG2 GLU 4 HG2 GLU 4 -4.565 -3.030 -11.853 34 HG3 GLU 4 HG3 GLU 4 -5.831 -2.901 -10.664 35 H ARG 5 H ARG 5 -6.657 -1.212 -9.125 36 HA ARG 5 HA ARG 5 -7.697 -3.281 -7.231 37 HB2 ARG 5 HB2 ARG 5 -8.147 -0.472 -7.178 38 HB3 ARG 5 HB3 ARG 5 -9.636 -1.170 -7.797 39 HG2 ARG 5 HG2 ARG 5 -8.215 -2.100 -5.263 40 HG3 ARG 5 HG3 ARG 5 -9.501 -0.915 -5.344 41 HD2 ARG 5 HD2 ARG 5 -11.047 -2.624 -6.306 42 HD3 ARG 5 HD3 ARG 5 -9.773 -3.840 -6.116 43 HE ARG 5 HE ARG 5 -10.688 -2.201 -3.781 44 HH11 ARG 5 HH21 ARG 5 -10.724 -5.481 -5.205 45 HH12 ARG 5 HH22 ARG 5 -10.816 -6.231 -3.625 46 HH21 ARG 5 HH11 ARG 5 -10.952 -3.130 -1.929 47 HH22 ARG 5 HH12 ARG 5 -10.947 -4.885 -1.683 48 H ILE 6 H ILE 6 -8.118 -4.942 -8.583 49 HA ILE 6 HA ILE 6 -8.706 -4.605 -11.383 50 HB ILE 6 HB ILE 6 -9.082 -7.034 -9.591 51 HG12 ILE 6 HG12 ILE 6 -6.808 -6.319 -9.328 52 HG13 ILE 6 HG13 ILE 6 -6.871 -7.720 -10.344 53 HG21 ILE 6 HG21 ILE 6 -8.813 -6.799 -12.616 54 HG22 ILE 6 HG22 ILE 6 -8.759 -8.323 -11.702 55 HG23 ILE 6 HG23 ILE 6 -10.232 -7.344 -11.707 56 HD11 ILE 6 HD11 ILE 6 -6.494 -4.866 -11.315 57 HD12 ILE 6 HD12 ILE 6 -5.234 -6.095 -11.204 58 HD13 ILE 6 HD13 ILE 6 -6.552 -6.302 -12.368 59 H ASN 7 H ASN 7 -10.575 -5.726 -8.576 60 HA ASN 7 HA ASN 7 -13.029 -4.422 -9.376 61 HB2 ASN 7 HB2 ASN 7 -14.419 -6.297 -9.750 62 HB3 ASN 7 HB3 ASN 7 -13.039 -6.539 -10.784 63 HD21 ASN 7 HD22 ASN 7 -14.410 -8.756 -10.535 64 HD22 ASN 7 HD21 ASN 7 -13.697 -9.864 -9.383 65 H GLU 8 H GLU 8 -14.785 -5.641 -7.632 66 HA GLU 8 HA GLU 8 -14.019 -4.531 -5.190 67 HB2 GLU 8 HB2 GLU 8 -16.333 -5.060 -6.240 68 HB3 GLU 8 HB3 GLU 8 -16.145 -6.672 -5.563 69 HG2 GLU 8 HG2 GLU 8 -17.522 -5.347 -4.099 70 HG3 GLU 8 HG3 GLU 8 -16.006 -5.629 -3.264 71 H HIS 9 H HIS 9 -12.981 -7.599 -6.363 72 HA HIS 9 HA HIS 9 -12.533 -8.653 -3.577 73 HB2 HIS 9 HB2 HIS 9 -13.138 -10.175 -6.138 74 HB3 HIS 9 HB3 HIS 9 -12.848 -10.867 -4.549 75 HD1 HIS 9 HD1 HIS 9 -15.654 -10.905 -6.448 76 HD2 HIS 9 HD2 HIS 9 -14.827 -8.918 -2.824 77 HE1 HIS 9 HE1 HIS 9 -17.895 -10.465 -5.335 78 H THR 10 H THR 10 -11.288 -8.843 -6.983 79 HA THR 10 HA THR 10 -8.720 -9.817 -6.018 80 HB THR 10 HB THR 10 -9.686 -8.951 -8.775 81 HG1 THR 10 HG1 THR 10 -10.236 -11.092 -9.017 82 HG21 THR 10 HG21 THR 10 -7.870 -10.238 -9.714 83 HG22 THR 10 HG22 THR 10 -7.161 -9.081 -8.576 84 HG23 THR 10 HG23 THR 10 -7.341 -10.770 -8.107 85 H VAL 11 H VAL 11 -6.830 -8.668 -5.908 86 HA VAL 11 HA VAL 11 -6.730 -5.929 -6.988 87 HB VAL 11 HB VAL 11 -5.327 -5.146 -5.130 88 HG11 VAL 11 HG11 VAL 11 -8.057 -6.014 -4.128 89 HG12 VAL 11 HG12 VAL 11 -7.094 -4.625 -3.577 90 HG13 VAL 11 HG13 VAL 11 -7.763 -4.637 -5.212 91 HG21 VAL 11 HG21 VAL 11 -4.571 -7.284 -4.156 92 HG22 VAL 11 HG22 VAL 11 -5.314 -6.238 -2.945 93 HG23 VAL 11 HG23 VAL 11 -6.231 -7.614 -3.590 94 H LYS 12 H LYS 12 -4.451 -5.409 -7.595 95 HA LYS 12 HA LYS 12 -2.609 -7.646 -7.261 96 HB2 LYS 12 HB2 LYS 12 -1.948 -7.964 -9.396 97 HB3 LYS 12 HB3 LYS 12 -3.680 -7.789 -9.641 98 HG2 LYS 12 HG2 LYS 12 -3.328 -5.490 -10.399 99 HG3 LYS 12 HG3 LYS 12 -1.581 -5.656 -10.166 100 HD2 LYS 12 HD2 LYS 12 -1.514 -7.538 -11.762 101 HD3 LYS 12 HD3 LYS 12 -3.267 -7.374 -12.063 102 HE2 LYS 12 HE2 LYS 12 -2.978 -5.172 -13.001 103 HE3 LYS 12 HE3 LYS 12 -1.343 -5.076 -12.318 104 HZ1 LYS 12 HZ1 LYS 12 -1.338 -5.501 -14.731 105 HZ2 LYS 12 HZ2 LYS 12 -0.548 -6.651 -13.890 106 HZ3 LYS 12 HZ3 LYS 12 -2.065 -6.947 -14.501 107 H PHE 13 H PHE 13 -0.363 -6.929 -7.645 108 HA PHE 13 HA PHE 13 0.050 -4.044 -7.609 109 HB2 PHE 13 HB2 PHE 13 1.324 -4.096 -5.502 110 HB3 PHE 13 HB3 PHE 13 -0.383 -4.407 -5.263 111 HD1 PHE 13 HD1 PHE 13 -1.157 -6.750 -4.722 112 HD2 PHE 13 HD2 PHE 13 3.005 -5.672 -4.918 113 HE1 PHE 13 HE1 PHE 13 -0.585 -8.716 -3.317 114 HE2 PHE 13 HE2 PHE 13 3.580 -7.588 -3.458 115 HZ PHE 13 HZ PHE 13 1.775 -9.075 -2.589 116 H TYR 14 H TYR 14 2.401 -3.585 -7.637 117 HA TYR 14 HA TYR 14 4.073 -5.814 -8.630 118 HB2 TYR 14 HB2 TYR 14 3.494 -4.577 -10.586 119 HB3 TYR 14 HB3 TYR 14 3.684 -3.043 -9.782 120 HD1 TYR 14 HD2 TYR 14 5.504 -6.052 -10.962 121 HD2 TYR 14 HD1 TYR 14 5.818 -2.014 -9.519 122 HE1 TYR 14 HE2 TYR 14 7.905 -6.113 -11.454 123 HE2 TYR 14 HE1 TYR 14 8.296 -2.064 -9.930 124 HH TYR 14 HH TYR 14 10.075 -3.268 -10.845 125 H MET 15 H MET 15 6.018 -5.889 -7.648 126 HA MET 15 HA MET 15 6.623 -3.864 -5.532 127 HB2 MET 15 HB2 MET 15 5.401 -6.002 -4.780 128 HB3 MET 15 HB3 MET 15 6.806 -6.900 -5.337 129 HG2 MET 15 HG2 MET 15 8.200 -5.782 -3.764 130 HG3 MET 15 HG3 MET 15 6.890 -4.721 -3.285 131 HE1 MET 15 HE1 MET 15 5.920 -5.123 -0.939 132 HE2 MET 15 HE2 MET 15 6.470 -6.531 -0.015 133 HE3 MET 15 HE3 MET 15 7.665 -5.461 -0.802 134 H SER 16 H SER 16 8.674 -3.088 -5.907 135 HA SER 16 HA SER 16 10.348 -4.479 -7.896 136 HB2 SER 16 HB2 SER 16 11.012 -2.048 -6.243 137 HB3 SER 16 HB3 SER 16 11.802 -2.585 -7.736 138 HG SER 16 HG SER 16 10.295 -0.853 -8.068 139 H TYR 17 H TYR 17 12.532 -5.269 -7.342 140 HA TYR 17 HA TYR 17 12.625 -6.836 -5.017 141 HB2 TYR 17 HB2 TYR 17 14.978 -5.726 -6.583 142 HB3 TYR 17 HB3 TYR 17 15.055 -7.059 -5.437 143 HD1 TYR 17 HD2 TYR 17 12.457 -8.527 -6.226 144 HD2 TYR 17 HD1 TYR 17 15.646 -6.792 -8.582 145 HE1 TYR 17 HE2 TYR 17 12.051 -10.175 -7.994 146 HE2 TYR 17 HE1 TYR 17 15.237 -8.436 -10.361 147 HH TYR 17 HH TYR 17 13.937 -10.311 -11.050 148 H GLY 18 H GLY 18 14.048 -3.534 -5.394 149 HA2 GLY 18 HA2 GLY 18 15.060 -3.667 -2.709 150 HA3 GLY 18 HA3 GLY 18 15.058 -2.279 -3.714 151 H ASP 19 H ASP 19 11.817 -3.134 -3.789 152 HA ASP 19 HA ASP 19 10.964 -1.493 -1.517 153 HB2 ASP 19 HB2 ASP 19 9.448 -3.489 -3.276 154 HB3 ASP 19 HB3 ASP 19 8.714 -2.628 -1.979 155 H ILE 20 H ILE 20 11.600 -4.892 -2.224 156 HA ILE 20 HA ILE 20 10.488 -5.909 0.267 157 HB ILE 20 HB ILE 20 12.068 -7.160 -2.042 158 HG12 ILE 20 HG12 ILE 20 9.173 -7.603 -1.258 159 HG13 ILE 20 HG13 ILE 20 9.640 -6.267 -2.295 160 HG21 ILE 20 HG21 ILE 20 11.584 -9.339 -1.165 161 HG22 ILE 20 HG22 ILE 20 12.463 -8.428 0.075 162 HG23 ILE 20 HG23 ILE 20 10.693 -8.656 0.199 163 HD11 ILE 20 HD11 ILE 20 10.646 -7.853 -3.923 164 HD12 ILE 20 HD12 ILE 20 9.967 -9.198 -2.959 165 HD13 ILE 20 HD13 ILE 20 8.889 -7.989 -3.707 166 H GLU 21 H GLU 21 13.770 -5.198 -1.092 167 HA GLU 21 HA GLU 21 15.248 -5.928 1.210 168 HB2 GLU 21 HB2 GLU 21 15.844 -3.566 -0.642 169 HB3 GLU 21 HB3 GLU 21 16.965 -4.377 0.426 170 HG2 GLU 21 HG2 GLU 21 16.659 -6.466 -0.956 171 HG3 GLU 21 HG3 GLU 21 15.740 -5.553 -2.090 172 H ASP 22 H ASP 22 13.500 -2.876 0.473 173 HA ASP 22 HA ASP 22 14.564 -1.310 2.597 174 HB2 ASP 22 HB2 ASP 22 13.280 -0.414 0.676 175 HB3 ASP 22 HB3 ASP 22 11.823 -1.175 1.285 176 H ARG 23 H ARG 23 11.733 -3.334 2.325 177 HA ARG 23 HA ARG 23 10.787 -3.050 5.058 178 HB2 ARG 23 HB2 ARG 23 10.225 -5.083 2.863 179 HB3 ARG 23 HB3 ARG 23 9.381 -5.051 4.430 180 HG2 ARG 23 HG2 ARG 23 8.315 -3.028 4.009 181 HG3 ARG 23 HG3 ARG 23 9.423 -2.589 2.709 182 HD2 ARG 23 HD2 ARG 23 8.484 -4.328 1.245 183 HD3 ARG 23 HD3 ARG 23 7.443 -4.902 2.543 184 HE ARG 23 HE ARG 23 6.001 -3.179 2.242 185 HH11 ARG 23 HH11 ARG 23 9.025 -2.205 0.577 186 HH12 ARG 23 HH12 ARG 23 8.333 -0.733 -0.029 187 HH21 ARG 23 HH21 ARG 23 5.095 -1.405 1.311 188 HH22 ARG 23 HH22 ARG 23 6.019 -0.256 0.374 189 H GLY 24 H GLY 24 13.555 -4.563 3.824 190 HA2 GLY 24 HA2 GLY 24 15.167 -5.718 4.921 191 HA3 GLY 24 HA3 GLY 24 14.151 -5.727 6.367 192 H PHE 25 H PHE 25 12.629 -6.946 3.533 193 HA PHE 25 HA PHE 25 13.046 -9.808 4.304 194 HB2 PHE 25 HB2 PHE 25 11.157 -8.528 2.310 195 HB3 PHE 25 HB3 PHE 25 11.276 -10.254 2.631 196 HD1 PHE 25 HD1 PHE 25 10.416 -6.979 4.141 197 HD2 PHE 25 HD2 PHE 25 9.869 -11.246 4.395 198 HE1 PHE 25 HE1 PHE 25 8.819 -6.662 6.005 199 HE2 PHE 25 HE2 PHE 25 8.282 -10.925 6.214 200 HZ PHE 25 HZ PHE 25 7.741 -8.640 7.061 201 H ASP 26 H ASP 26 13.042 -10.978 1.785 202 HA ASP 26 HA ASP 26 14.952 -9.529 0.086 203 HB2 ASP 26 HB2 ASP 26 16.051 -11.327 1.850 204 HB3 ASP 26 HB3 ASP 26 15.614 -12.391 0.526 205 H ARG 27 H ARG 27 14.897 -10.403 -2.099 206 HA ARG 27 HA ARG 27 12.191 -10.932 -2.765 207 HB2 ARG 27 HB2 ARG 27 12.936 -10.941 -5.088 208 HB3 ARG 27 HB3 ARG 27 13.822 -9.692 -4.203 209 HG2 ARG 27 HG2 ARG 27 15.763 -11.297 -3.993 210 HG3 ARG 27 HG3 ARG 27 14.866 -12.442 -5.014 211 HD2 ARG 27 HD2 ARG 27 14.882 -10.841 -6.866 212 HD3 ARG 27 HD3 ARG 27 15.719 -9.647 -5.845 213 HE ARG 27 HE ARG 27 17.181 -12.094 -5.849 214 HH11 ARG 27 HH21 ARG 27 16.457 -9.407 -8.056 215 HH12 ARG 27 HH22 ARG 27 17.945 -9.540 -8.930 216 HH21 ARG 27 HH11 ARG 27 19.137 -12.300 -7.029 217 HH22 ARG 27 HH12 ARG 27 19.488 -11.242 -8.347 218 H GLU 28 H GLU 28 14.860 -13.231 -2.365 219 HA GLU 28 HA GLU 28 13.180 -15.462 -3.345 220 HB2 GLU 28 HB2 GLU 28 15.904 -15.403 -2.024 221 HB3 GLU 28 HB3 GLU 28 15.089 -16.847 -2.587 222 HG2 GLU 28 HG2 GLU 28 15.008 -15.857 -4.901 223 HG3 GLU 28 HG3 GLU 28 15.975 -14.511 -4.308 224 H GLU 29 H GLU 29 14.389 -14.082 -0.271 225 HA GLU 29 HA GLU 29 13.656 -16.178 1.427 226 HB2 GLU 29 HB2 GLU 29 13.927 -13.180 1.841 227 HB3 GLU 29 HB3 GLU 29 13.665 -14.244 3.186 228 HG2 GLU 29 HG2 GLU 29 16.000 -14.540 1.249 229 HG3 GLU 29 HG3 GLU 29 16.014 -13.638 2.748 230 H ILE 30 H ILE 30 11.782 -13.454 0.336 231 HA ILE 30 HA ILE 30 9.364 -13.673 1.703 232 HB ILE 30 HB ILE 30 9.972 -13.165 -1.205 233 HG12 ILE 30 HG12 ILE 30 10.601 -11.569 0.753 234 HG13 ILE 30 HG13 ILE 30 9.876 -10.969 -0.714 235 HG21 ILE 30 HG21 ILE 30 7.674 -12.228 -1.470 236 HG22 ILE 30 HG22 ILE 30 7.723 -13.985 -1.345 237 HG23 ILE 30 HG23 ILE 30 7.209 -13.034 0.057 238 HD11 ILE 30 HD11 ILE 30 7.709 -10.670 0.452 239 HD12 ILE 30 HD12 ILE 30 8.344 -11.505 1.890 240 HD13 ILE 30 HD13 ILE 30 8.986 -9.924 1.414 241 H TRP 31 H TRP 31 10.373 -15.688 -1.110 242 HA TRP 31 HA TRP 31 7.957 -17.285 -1.005 243 HB2 TRP 31 HB2 TRP 31 10.492 -17.804 -2.551 244 HB3 TRP 31 HB3 TRP 31 8.905 -18.464 -2.890 245 HD1 TRP 31 HD1 TRP 31 11.096 -15.980 -4.169 246 HE1 TRP 31 HE1 TRP 31 9.964 -13.966 -5.260 247 HE3 TRP 31 HE3 TRP 31 6.272 -16.852 -2.655 248 HZ2 TRP 31 HZ2 TRP 31 7.367 -12.680 -5.136 249 HZ3 TRP 31 HZ3 TRP 31 4.473 -15.231 -3.243 250 HH2 TRP 31 HH2 TRP 31 5.004 -13.140 -4.441 251 H TYR 32 H TYR 32 10.930 -17.505 0.728 252 HA TYR 32 HA TYR 32 10.622 -20.452 1.064 253 HB2 TYR 32 HB2 TYR 32 13.143 -18.767 1.025 254 HB3 TYR 32 HB3 TYR 32 13.078 -20.515 1.234 255 HD1 TYR 32 HD1 TYR 32 11.367 -21.646 -0.680 256 HD2 TYR 32 HD2 TYR 32 13.964 -18.232 -1.120 257 HE1 TYR 32 HE1 TYR 32 11.411 -22.000 -3.116 258 HE2 TYR 32 HE2 TYR 32 13.949 -18.518 -3.564 259 HH TYR 32 HH TYR 32 13.212 -19.833 -5.376 260 H ASN 33 H ASN 33 9.950 -17.797 2.820 261 HA ASN 33 HA ASN 33 10.469 -19.221 5.402 262 HB2 ASN 33 HB2 ASN 33 10.391 -16.271 4.708 263 HB3 ASN 33 HB3 ASN 33 10.258 -16.891 6.348 264 HD21 ASN 33 HD22 ASN 33 12.362 -16.370 3.650 265 HD22 ASN 33 HD21 ASN 33 13.879 -16.572 4.527 266 H ARG 34 H ARG 34 8.538 -20.287 5.539 267 HA ARG 34 HA ARG 34 6.142 -19.688 4.287 268 HB2 ARG 34 HB2 ARG 34 6.792 -21.862 5.095 269 HB3 ARG 34 HB3 ARG 34 6.720 -21.334 6.781 270 HG2 ARG 34 HG2 ARG 34 4.376 -21.187 6.789 271 HG3 ARG 34 HG3 ARG 34 4.273 -21.081 5.034 272 HD2 ARG 34 HD2 ARG 34 3.492 -23.211 5.603 273 HD3 ARG 34 HD3 ARG 34 5.082 -23.459 4.871 274 HE ARG 34 HE ARG 34 5.342 -23.221 7.719 275 HH11 ARG 34 HH21 ARG 34 4.161 -25.542 5.295 276 HH12 ARG 34 HH22 ARG 34 4.465 -26.934 6.278 277 HH21 ARG 34 HH11 ARG 34 5.756 -25.072 9.023 278 HH22 ARG 34 HH12 ARG 34 5.375 -26.656 8.446 279 H GLU 35 H GLU 35 7.221 -18.170 7.273 280 HA GLU 35 HA GLU 35 4.480 -17.128 7.662 281 HB2 GLU 35 HB2 GLU 35 5.136 -16.572 9.882 282 HB3 GLU 35 HB3 GLU 35 5.478 -18.268 9.603 283 HG2 GLU 35 HG2 GLU 35 7.561 -16.028 9.589 284 HG3 GLU 35 HG3 GLU 35 7.185 -17.040 10.969 285 H ARG 36 H ARG 36 7.782 -16.155 6.771 286 HA ARG 36 HA ARG 36 7.213 -13.312 7.167 287 HB2 ARG 36 HB2 ARG 36 9.553 -14.702 5.899 288 HB3 ARG 36 HB3 ARG 36 9.391 -12.989 6.090 289 HG2 ARG 36 HG2 ARG 36 9.526 -15.035 8.337 290 HG3 ARG 36 HG3 ARG 36 10.778 -13.913 7.866 291 HD2 ARG 36 HD2 ARG 36 8.083 -12.994 8.967 292 HD3 ARG 36 HD3 ARG 36 9.499 -13.286 9.951 293 HE ARG 36 HE ARG 36 10.513 -11.595 8.092 294 HH11 ARG 36 HH11 ARG 36 7.509 -11.244 10.020 295 HH12 ARG 36 HH12 ARG 36 7.937 -9.672 10.596 296 HH21 ARG 36 HH21 ARG 36 10.892 -9.403 8.643 297 HH22 ARG 36 HH22 ARG 36 9.808 -8.558 9.686 298 H SER 37 H SER 37 6.679 -15.698 4.725 299 HA SER 37 HA SER 37 6.438 -14.088 2.412 300 HB2 SER 37 HB2 SER 37 4.642 -15.872 1.876 301 HB3 SER 37 HB3 SER 37 6.248 -16.495 2.262 302 HG SER 37 HG SER 37 4.506 -17.580 3.371 303 H GLU 38 H GLU 38 4.006 -15.027 4.847 304 HA GLU 38 HA GLU 38 1.842 -13.780 3.867 305 HB2 GLU 38 HB2 GLU 38 2.329 -15.441 5.892 306 HB3 GLU 38 HB3 GLU 38 2.154 -13.963 6.853 307 HG2 GLU 38 HG2 GLU 38 -0.042 -13.576 5.738 308 HG3 GLU 38 HG3 GLU 38 0.152 -15.068 4.830 309 H GLU 39 H GLU 39 4.353 -12.184 5.798 310 HA GLU 39 HA GLU 39 2.904 -9.984 6.756 311 HB2 GLU 39 HB2 GLU 39 5.767 -9.770 5.846 312 HB3 GLU 39 HB3 GLU 39 5.033 -9.087 7.284 313 HG2 GLU 39 HG2 GLU 39 5.739 -12.004 6.874 314 HG3 GLU 39 HG3 GLU 39 6.708 -10.824 7.652 315 H LEU 40 H LEU 40 4.417 -10.595 3.649 316 HA LEU 40 HA LEU 40 4.343 -7.987 2.506 317 HB2 LEU 40 HB2 LEU 40 5.557 -9.909 1.557 318 HB3 LEU 40 HB3 LEU 40 4.041 -10.714 1.240 319 HG LEU 40 HG LEU 40 5.564 -8.977 -0.436 320 HD11 LEU 40 HD11 LEU 40 4.087 -9.761 -2.173 321 HD12 LEU 40 HD12 LEU 40 4.544 -11.079 -1.092 322 HD13 LEU 40 HD13 LEU 40 2.927 -10.354 -0.949 323 HD21 LEU 40 HD21 LEU 40 4.062 -7.385 -1.320 324 HD22 LEU 40 HD22 LEU 40 2.723 -7.929 -0.337 325 HD23 LEU 40 HD23 LEU 40 4.115 -7.076 0.408 326 H PHE 41 H PHE 41 2.088 -10.718 2.311 327 HA PHE 41 HA PHE 41 0.104 -9.420 0.798 328 HB2 PHE 41 HB2 PHE 41 -0.159 -11.829 2.629 329 HB3 PHE 41 HB3 PHE 41 -1.239 -11.407 1.310 330 HD1 PHE 41 HD1 PHE 41 -0.463 -11.580 -1.068 331 HD2 PHE 41 HD2 PHE 41 2.125 -12.612 2.195 332 HE1 PHE 41 HE1 PHE 41 1.107 -12.672 -2.648 333 HE2 PHE 41 HE2 PHE 41 3.682 -13.748 0.619 334 HZ PHE 41 HZ PHE 41 3.172 -13.771 -1.814 335 H TRP 42 H TRP 42 0.498 -9.866 4.338 336 HA TRP 42 HA TRP 42 -1.927 -8.631 5.115 337 HB2 TRP 42 HB2 TRP 42 0.766 -9.012 6.423 338 HB3 TRP 42 HB3 TRP 42 -0.429 -7.980 7.182 339 HD1 TRP 42 HD1 TRP 42 0.533 -11.518 6.987 340 HE1 TRP 42 HE1 TRP 42 -1.236 -13.069 7.951 341 HE3 TRP 42 HE3 TRP 42 -3.331 -8.176 7.271 342 HZ2 TRP 42 HZ2 TRP 42 -4.055 -12.897 8.691 343 HZ3 TRP 42 HZ3 TRP 42 -5.565 -8.904 8.061 344 HH2 TRP 42 HH2 TRP 42 -5.945 -11.260 8.764 345 H GLU 43 H GLU 43 1.169 -7.060 4.020 346 HA GLU 43 HA GLU 43 0.354 -4.475 4.970 347 HB2 GLU 43 HB2 GLU 43 2.728 -5.241 4.389 348 HB3 GLU 43 HB3 GLU 43 2.262 -5.108 2.681 349 HG2 GLU 43 HG2 GLU 43 1.565 -2.706 3.181 350 HG3 GLU 43 HG3 GLU 43 2.325 -2.886 4.761 351 H VAL 44 H VAL 44 -0.004 -6.216 1.781 352 HA VAL 44 HA VAL 44 -1.042 -3.867 0.508 353 HB VAL 44 HB VAL 44 -1.720 -5.513 -1.234 354 HG11 VAL 44 HG11 VAL 44 0.615 -5.855 -1.978 355 HG12 VAL 44 HG12 VAL 44 0.508 -4.280 -1.173 356 HG13 VAL 44 HG13 VAL 44 1.190 -5.693 -0.312 357 HG21 VAL 44 HG21 VAL 44 -1.904 -7.587 0.072 358 HG22 VAL 44 HG22 VAL 44 -0.761 -7.749 -1.248 359 HG23 VAL 44 HG23 VAL 44 -0.137 -7.476 0.373 360 H MET 45 H MET 45 -2.535 -6.729 1.984 361 HA MET 45 HA MET 45 -5.253 -5.978 1.555 362 HB2 MET 45 HB2 MET 45 -3.824 -7.481 3.807 363 HB3 MET 45 HB3 MET 45 -5.565 -7.314 3.719 364 HG2 MET 45 HG2 MET 45 -3.897 -8.625 1.535 365 HG3 MET 45 HG3 MET 45 -4.638 -9.455 2.892 366 HE1 MET 45 HE1 MET 45 -4.944 -8.680 -0.715 367 HE2 MET 45 HE2 MET 45 -6.643 -8.254 -1.034 368 HE3 MET 45 HE3 MET 45 -5.564 -7.078 -0.261 369 H ASP 46 H ASP 46 -2.931 -5.076 4.178 370 HA ASP 46 HA ASP 46 -4.770 -3.567 5.701 371 HB2 ASP 46 HB2 ASP 46 -2.601 -4.155 6.583 372 HB3 ASP 46 HB3 ASP 46 -1.784 -3.165 5.384 373 H GLU 47 H GLU 47 -2.708 -2.607 2.935 374 HA GLU 47 HA GLU 47 -3.363 0.141 2.868 375 HB2 GLU 47 HB2 GLU 47 -1.355 -0.636 1.929 376 HB3 GLU 47 HB3 GLU 47 -2.119 -1.990 1.136 377 HG2 GLU 47 HG2 GLU 47 -1.345 -0.517 -0.462 378 HG3 GLU 47 HG3 GLU 47 -3.089 -0.625 -0.544 379 H VAL 48 H VAL 48 -5.390 -2.491 2.348 380 HA VAL 48 HA VAL 48 -7.293 -0.962 0.624 381 HB VAL 48 HB VAL 48 -6.707 -3.958 0.638 382 HG11 VAL 48 HG11 VAL 48 -9.012 -3.564 -0.043 383 HG12 VAL 48 HG12 VAL 48 -8.519 -2.311 -1.183 384 HG13 VAL 48 HG13 VAL 48 -8.077 -4.019 -1.450 385 HG21 VAL 48 HG21 VAL 48 -5.700 -3.788 -1.493 386 HG22 VAL 48 HG22 VAL 48 -6.150 -2.069 -1.688 387 HG23 VAL 48 HG23 VAL 48 -4.899 -2.545 -0.548 388 H HIS 49 H HIS 49 -6.701 -2.081 3.712 389 HA HIS 49 HA HIS 49 -8.648 -3.764 4.302 390 HB2 HIS 49 HB2 HIS 49 -6.750 -2.990 5.748 391 HB3 HIS 49 HB3 HIS 49 -7.781 -1.672 6.304 392 HD1 HIS 49 HD1 HIS 49 -8.685 -2.398 8.674 393 HD2 HIS 49 HD2 HIS 49 -8.371 -5.518 5.868 394 HE1 HIS 49 HE1 HIS 49 -9.521 -4.499 9.845 395 H GLU 50 H GLU 50 -9.297 -0.279 4.041 396 HA GLU 50 HA GLU 50 -11.770 -0.207 5.429 397 HB2 GLU 50 HB2 GLU 50 -10.792 1.399 3.031 398 HB3 GLU 50 HB3 GLU 50 -12.254 1.766 3.953 399 HG2 GLU 50 HG2 GLU 50 -10.877 2.020 6.021 400 HG3 GLU 50 HG3 GLU 50 -9.419 1.749 5.070 401 H GLU 51 H GLU 51 -10.981 -1.684 2.345 402 HA GLU 51 HA GLU 51 -13.843 -1.961 1.600 403 HB2 GLU 51 HB2 GLU 51 -11.252 -2.468 0.108 404 HB3 GLU 51 HB3 GLU 51 -12.843 -2.880 -0.528 405 HG2 GLU 51 HG2 GLU 51 -13.591 -0.571 -0.410 406 HG3 GLU 51 HG3 GLU 51 -12.074 -0.068 0.326 407 H GLU 52 H GLU 52 -11.674 -3.583 3.540 408 HA GLU 52 HA GLU 52 -12.388 -6.332 2.598 409 HB2 GLU 52 HB2 GLU 52 -9.831 -5.276 3.741 410 HB3 GLU 52 HB3 GLU 52 -10.121 -6.947 3.371 411 HG2 GLU 52 HG2 GLU 52 -10.172 -4.653 1.379 412 HG3 GLU 52 HG3 GLU 52 -8.860 -5.791 1.607 413 H GLU 53 H GLU 53 -12.188 -4.155 5.371 414 HA GLU 53 HA GLU 53 -11.864 -5.931 7.445 415 HB2 GLU 53 HB2 GLU 53 -12.784 -4.183 8.876 416 HB3 GLU 53 HB3 GLU 53 -11.697 -3.513 7.662 417 HG2 GLU 53 HG2 GLU 53 -13.618 -2.739 6.316 418 HG3 GLU 53 HG3 GLU 53 -14.742 -3.490 7.450 419 H PHE 54 H PHE 54 -14.668 -5.805 5.476 420 HA PHE 54 HA PHE 54 -16.154 -7.549 7.381 421 HB2 PHE 54 HB2 PHE 54 -17.021 -5.146 7.073 422 HB3 PHE 54 HB3 PHE 54 -17.424 -5.602 5.429 423 HD1 PHE 54 HD2 PHE 54 -17.940 -6.685 9.008 424 HD2 PHE 54 HD1 PHE 54 -19.608 -6.471 5.028 425 HE1 PHE 54 HE2 PHE 54 -20.113 -7.529 9.865 426 HE2 PHE 54 HE1 PHE 54 -21.774 -7.314 5.896 427 HZ PHE 54 HZ PHE 54 -22.032 -7.846 8.311 428 H ALA 55 H ALA 55 -14.201 -7.975 5.010 429 HA ALA 55 HA ALA 55 -15.837 -9.943 3.529 430 HB1 ALA 55 HB1 ALA 55 -14.142 -7.805 2.167 431 HB2 ALA 55 HB2 ALA 55 -15.085 -9.102 1.381 432 HB3 ALA 55 HB3 ALA 55 -15.921 -7.806 2.249 433 H VAL 56 H VAL 56 -13.676 -10.095 5.611 434 HA VAL 56 HA VAL 56 -11.888 -11.911 4.072 435 HB VAL 56 HB VAL 56 -10.221 -11.650 5.920 436 HG11 VAL 56 HG11 VAL 56 -9.280 -9.551 5.056 437 HG12 VAL 56 HG12 VAL 56 -9.922 -10.556 3.754 438 HG13 VAL 56 HG13 VAL 56 -10.838 -9.143 4.312 439 HG21 VAL 56 HG21 VAL 56 -10.241 -9.711 7.369 440 HG22 VAL 56 HG22 VAL 56 -11.782 -9.148 6.697 441 HG23 VAL 56 HG23 VAL 56 -11.717 -10.645 7.654 442 H GLU 57 H GLU 57 -14.259 -12.676 4.412 443 HA GLU 57 HA GLU 57 -14.377 -14.561 6.709 444 HB2 GLU 57 HB2 GLU 57 -16.900 -14.241 6.485 445 HB3 GLU 57 HB3 GLU 57 -15.990 -12.925 7.219 446 HG2 GLU 57 HG2 GLU 57 -16.279 -11.486 5.433 447 HG3 GLU 57 HG3 GLU 57 -16.516 -12.760 4.251 448 H GLY 58 H GLY 58 -13.054 -14.977 4.290 449 HA2 GLY 58 HA2 GLY 58 -14.319 -17.316 3.128 450 HA3 GLY 58 HA3 GLY 58 -14.293 -15.918 2.042 451 HA PRO 59 HA PRO 59 -10.218 -18.264 2.031 452 HB2 PRO 59 HB2 PRO 59 -10.109 -18.991 -0.588 453 HB3 PRO 59 HB3 PRO 59 -11.035 -19.896 0.641 454 HG2 PRO 59 HG2 PRO 59 -12.088 -17.790 -1.279 455 HG3 PRO 59 HG3 PRO 59 -12.740 -19.429 -0.931 456 HD2 PRO 59 HD2 PRO 59 -13.745 -17.226 0.261 457 HD3 PRO 59 HD3 PRO 59 -13.596 -18.791 1.125 458 H LEU 60 H LEU 60 -8.259 -17.833 0.620 459 HA LEU 60 HA LEU 60 -8.231 -15.286 -0.830 460 HB2 LEU 60 HB2 LEU 60 -7.268 -15.392 1.826 461 HB3 LEU 60 HB3 LEU 60 -5.824 -15.609 0.851 462 HG LEU 60 HG LEU 60 -7.817 -13.301 0.667 463 HD11 LEU 60 HD11 LEU 60 -4.953 -13.390 1.716 464 HD12 LEU 60 HD12 LEU 60 -6.000 -11.952 1.622 465 HD13 LEU 60 HD13 LEU 60 -6.431 -13.279 2.704 466 HD21 LEU 60 HD21 LEU 60 -6.863 -13.552 -1.551 467 HD22 LEU 60 HD22 LEU 60 -6.085 -12.186 -0.768 468 HD23 LEU 60 HD23 LEU 60 -5.217 -13.728 -0.874 469 H TRP 61 H TRP 61 -6.433 -15.243 -2.313 470 HA TRP 61 HA TRP 61 -5.289 -17.881 -3.077 471 HB2 TRP 61 HB2 TRP 61 -7.128 -16.010 -4.574 472 HB3 TRP 61 HB3 TRP 61 -6.361 -17.343 -5.356 473 HD1 TRP 61 HD1 TRP 61 -9.234 -16.354 -3.093 474 HE1 TRP 61 HE1 TRP 61 -10.953 -18.263 -2.953 475 HE3 TRP 61 HE3 TRP 61 -6.544 -19.971 -5.421 476 HZ2 TRP 61 HZ2 TRP 61 -11.095 -21.072 -3.709 477 HZ3 TRP 61 HZ3 TRP 61 -7.470 -22.277 -5.715 478 HH2 TRP 61 HH2 TRP 61 -9.738 -22.828 -4.852 479 H ILE 62 H ILE 62 -3.427 -17.539 -4.482 480 HA ILE 62 HA ILE 62 -2.620 -14.713 -4.931 481 HB ILE 62 HB ILE 62 -0.691 -16.828 -3.969 482 HG12 ILE 62 HG12 ILE 62 -2.278 -16.739 -2.111 483 HG13 ILE 62 HG13 ILE 62 -0.677 -16.182 -1.715 484 HG21 ILE 62 HG21 ILE 62 0.315 -14.869 -5.001 485 HG22 ILE 62 HG22 ILE 62 -0.558 -13.779 -3.922 486 HG23 ILE 62 HG23 ILE 62 0.671 -14.888 -3.278 487 HD11 ILE 62 HD11 ILE 62 -2.360 -14.842 -0.585 488 HD12 ILE 62 HD12 ILE 62 -1.433 -13.837 -1.698 489 HD13 ILE 62 HD13 ILE 62 -3.079 -14.347 -2.117 490 H GLN 63 H GLN 63 -1.473 -14.398 -6.821 491 HA GLN 63 HA GLN 63 -0.078 -16.690 -8.061 492 HB2 GLN 63 HB2 GLN 63 -2.068 -16.345 -9.468 493 HB3 GLN 63 HB3 GLN 63 -1.755 -14.611 -9.561 494 HG2 GLN 63 HG2 GLN 63 0.321 -15.006 -10.810 495 HG3 GLN 63 HG3 GLN 63 0.075 -16.756 -10.720 496 HE21 GLN 63 HE22 GLN 63 0.106 -14.579 -13.028 497 HE22 GLN 63 HE21 GLN 63 -1.330 -14.992 -13.934 498 H VAL 64 H VAL 64 1.998 -15.979 -8.890 499 HA VAL 64 HA VAL 64 2.608 -13.096 -8.697 500 HB VAL 64 HB VAL 64 3.326 -14.111 -6.574 501 HG11 VAL 64 HG11 VAL 64 5.333 -15.680 -8.262 502 HG12 VAL 64 HG12 VAL 64 5.272 -15.594 -6.492 503 HG13 VAL 64 HG13 VAL 64 3.956 -16.381 -7.369 504 HG21 VAL 64 HG21 VAL 64 4.424 -12.115 -7.593 505 HG22 VAL 64 HG22 VAL 64 5.485 -13.057 -6.573 506 HG23 VAL 64 HG23 VAL 64 5.656 -13.186 -8.310 507 H GLN 65 H GLN 65 4.380 -12.508 -10.211 508 HA GLN 65 HA GLN 65 5.821 -14.707 -11.425 509 HB2 GLN 65 HB2 GLN 65 5.662 -13.582 -13.676 510 HB3 GLN 65 HB3 GLN 65 4.280 -14.564 -13.217 511 HG2 GLN 65 HG2 GLN 65 4.305 -11.541 -12.811 512 HG3 GLN 65 HG3 GLN 65 3.922 -12.271 -14.352 513 HE21 GLN 65 HE22 GLN 65 2.594 -11.432 -11.247 514 HE22 GLN 65 HE21 GLN 65 1.012 -12.094 -11.608 515 H ALA 66 H ALA 66 7.822 -13.941 -12.206 516 HA ALA 66 HA ALA 66 8.678 -11.424 -10.846 517 HB1 ALA 66 HB1 ALA 66 10.386 -13.789 -11.713 518 HB2 ALA 66 HB2 ALA 66 10.912 -12.352 -10.800 519 HB3 ALA 66 HB3 ALA 66 9.790 -13.499 -10.058 520 H LEU 67 H LEU 67 9.799 -9.902 -11.911 521 HA LEU 67 HA LEU 67 9.844 -9.879 -14.883 522 HB2 LEU 67 HB2 LEU 67 9.015 -7.695 -12.906 523 HB3 LEU 67 HB3 LEU 67 9.153 -7.487 -14.630 524 HG LEU 67 HG LEU 67 7.442 -9.634 -14.586 525 HD11 LEU 67 HD11 LEU 67 5.715 -9.223 -12.937 526 HD12 LEU 67 HD12 LEU 67 7.242 -9.693 -12.201 527 HD13 LEU 67 HD13 LEU 67 6.745 -7.984 -12.169 528 HD21 LEU 67 HD21 LEU 67 6.619 -6.718 -14.294 529 HD22 LEU 67 HD22 LEU 67 7.087 -7.507 -15.824 530 HD23 LEU 67 HD23 LEU 67 5.622 -8.030 -14.969 531 H ASP 68 H ASP 68 11.155 -7.477 -15.232 532 HA ASP 68 HA ASP 68 13.741 -8.460 -15.057 533 HB2 ASP 68 HB2 ASP 68 12.917 -6.791 -16.712 534 HB3 ASP 68 HB3 ASP 68 13.028 -5.541 -15.467 535 H LYS 69 H LYS 69 12.252 -6.079 -12.819 536 HA LYS 69 HA LYS 69 14.498 -6.518 -10.933 537 HB2 LYS 69 HB2 LYS 69 13.512 -3.797 -11.764 538 HB3 LYS 69 HB3 LYS 69 14.620 -4.086 -10.430 539 HG2 LYS 69 HG2 LYS 69 15.210 -4.726 -13.326 540 HG3 LYS 69 HG3 LYS 69 15.760 -3.318 -12.448 541 HD2 LYS 69 HD2 LYS 69 17.016 -4.762 -10.850 542 HD3 LYS 69 HD3 LYS 69 16.528 -6.191 -11.711 543 HE2 LYS 69 HE2 LYS 69 18.074 -3.910 -13.009 544 HE3 LYS 69 HE3 LYS 69 18.831 -5.343 -12.305 545 HZ1 LYS 69 HZ1 LYS 69 18.538 -5.597 -14.677 546 HZ2 LYS 69 HZ2 LYS 69 17.614 -6.705 -13.905 547 HZ3 LYS 69 HZ3 LYS 69 16.914 -5.388 -14.585 548 H GLY 70 H GLY 70 11.692 -7.486 -10.962 549 HA2 GLY 70 HA2 GLY 70 10.958 -6.975 -8.251 550 HA3 GLY 70 HA3 GLY 70 10.008 -5.948 -9.308 551 H LEU 71 H LEU 71 8.293 -7.361 -8.266 552 HA LEU 71 HA LEU 71 7.658 -9.578 -10.160 553 HB2 LEU 71 HB2 LEU 71 7.122 -9.678 -7.171 554 HB3 LEU 71 HB3 LEU 71 6.641 -10.859 -8.365 555 HG LEU 71 HG LEU 71 9.438 -10.691 -8.730 556 HD11 LEU 71 HD11 LEU 71 9.585 -9.368 -6.644 557 HD12 LEU 71 HD12 LEU 71 8.752 -10.659 -5.757 558 HD13 LEU 71 HD13 LEU 71 10.362 -10.954 -6.450 559 HD21 LEU 71 HD21 LEU 71 9.492 -12.932 -7.750 560 HD22 LEU 71 HD22 LEU 71 7.852 -12.704 -7.116 561 HD23 LEU 71 HD23 LEU 71 8.100 -12.733 -8.841 562 H GLU 72 H GLU 72 5.531 -9.693 -10.684 563 HA GLU 72 HA GLU 72 3.641 -7.691 -9.532 564 HB2 GLU 72 HB2 GLU 72 3.388 -9.444 -12.008 565 HB3 GLU 72 HB3 GLU 72 2.001 -8.740 -11.205 566 HG2 GLU 72 HG2 GLU 72 2.881 -6.461 -11.557 567 HG3 GLU 72 HG3 GLU 72 4.222 -7.132 -12.484 568 H ILE 73 H ILE 73 2.119 -8.417 -8.186 569 HA ILE 73 HA ILE 73 1.777 -11.326 -7.795 570 HB ILE 73 HB ILE 73 1.561 -9.135 -5.712 571 HG12 ILE 73 HG12 ILE 73 3.360 -10.074 -4.410 572 HG13 ILE 73 HG13 ILE 73 3.726 -11.277 -5.592 573 HG21 ILE 73 HG21 ILE 73 1.259 -10.980 -4.085 574 HG22 ILE 73 HG22 ILE 73 0.023 -11.044 -5.325 575 HG23 ILE 73 HG23 ILE 73 1.393 -12.169 -5.404 576 HD11 ILE 73 HD11 ILE 73 5.274 -9.263 -5.437 577 HD12 ILE 73 HD12 ILE 73 4.689 -9.632 -7.061 578 HD13 ILE 73 HD13 ILE 73 3.970 -8.283 -6.142 579 H ILE 74 H ILE 74 -0.375 -11.912 -7.990 580 HA ILE 74 HA ILE 74 -2.526 -9.814 -8.011 581 HB ILE 74 HB ILE 74 -2.296 -12.426 -9.562 582 HG12 ILE 74 HG12 ILE 74 -2.769 -11.184 -11.571 583 HG13 ILE 74 HG13 ILE 74 -2.911 -9.676 -10.704 584 HG21 ILE 74 HG21 ILE 74 -4.733 -10.615 -9.247 585 HG22 ILE 74 HG22 ILE 74 -4.600 -11.954 -10.409 586 HG23 ILE 74 HG23 ILE 74 -4.554 -12.295 -8.686 587 HD11 ILE 74 HD11 ILE 74 -0.345 -11.287 -10.832 588 HD12 ILE 74 HD12 ILE 74 -0.779 -10.057 -12.039 589 HD13 ILE 74 HD13 ILE 74 -0.520 -9.571 -10.365 590 H VAL 75 H VAL 75 -4.262 -10.321 -6.522 591 HA VAL 75 HA VAL 75 -4.202 -12.984 -5.328 592 HB VAL 75 HB VAL 75 -4.664 -12.081 -3.058 593 HG11 VAL 75 HG11 VAL 75 -1.938 -11.219 -4.123 594 HG12 VAL 75 HG12 VAL 75 -2.361 -11.648 -2.452 595 HG13 VAL 75 HG13 VAL 75 -2.423 -12.878 -3.734 596 HG21 VAL 75 HG21 VAL 75 -5.237 -9.757 -3.642 597 HG22 VAL 75 HG22 VAL 75 -3.882 -9.860 -2.484 598 HG23 VAL 75 HG23 VAL 75 -3.552 -9.499 -4.191 599 H THR 76 H THR 76 -6.215 -13.850 -4.920 600 HA THR 76 HA THR 76 -8.431 -12.309 -6.192 601 HB THR 76 HB THR 76 -8.855 -14.064 -7.668 602 HG1 THR 76 HG1 THR 76 -8.107 -16.077 -7.581 603 HG21 THR 76 HG21 THR 76 -5.790 -14.187 -7.526 604 HG22 THR 76 HG22 THR 76 -6.812 -14.501 -8.940 605 HG23 THR 76 HG23 THR 76 -6.705 -12.861 -8.301 606 H LYS 77 H LYS 77 -10.586 -13.681 -6.001 607 HA LYS 77 HA LYS 77 -10.754 -15.229 -3.490 608 HB2 LYS 77 HB2 LYS 77 -12.736 -13.084 -4.244 609 HB3 LYS 77 HB3 LYS 77 -12.779 -14.141 -2.827 610 HG2 LYS 77 HG2 LYS 77 -10.473 -13.180 -2.191 611 HG3 LYS 77 HG3 LYS 77 -10.770 -11.965 -3.438 612 HD2 LYS 77 HD2 LYS 77 -13.043 -11.572 -2.179 613 HD3 LYS 77 HD3 LYS 77 -12.305 -12.648 -0.960 614 HE2 LYS 77 HE2 LYS 77 -10.397 -10.995 -0.754 615 HE3 LYS 77 HE3 LYS 77 -11.178 -9.955 -1.930 616 HZ1 LYS 77 HZ1 LYS 77 -11.625 -9.207 0.313 617 HZ2 LYS 77 HZ2 LYS 77 -13.035 -9.680 -0.365 618 HZ3 LYS 77 HZ3 LYS 77 -12.298 -10.631 0.756 619 H ALA 78 H ALA 78 -13.225 -15.939 -3.455 620 HA ALA 78 HA ALA 78 -14.119 -17.018 -6.056 621 HB1 ALA 78 HB1 ALA 78 -12.740 -18.827 -5.042 622 HB2 ALA 78 HB2 ALA 78 -13.689 -18.710 -3.538 623 HB3 ALA 78 HB3 ALA 78 -14.459 -19.261 -5.041 624 H GLN 79 H GLN 79 -16.423 -17.807 -5.799 625 HA GLN 79 HA GLN 79 -17.894 -16.643 -3.501 626 HB2 GLN 79 HB2 GLN 79 -17.560 -14.818 -5.206 627 HB3 GLN 79 HB3 GLN 79 -18.445 -15.790 -6.382 628 HG2 GLN 79 HG2 GLN 79 -20.461 -15.709 -4.899 629 HG3 GLN 79 HG3 GLN 79 -19.545 -14.748 -3.734 630 HE21 GLN 79 HE22 GLN 79 -21.111 -14.722 -6.941 631 HE22 GLN 79 HE21 GLN 79 -21.016 -12.991 -7.174 632 H LEU 80 H LEU 80 -18.074 -18.439 -6.650 633 HA LEU 80 HA LEU 80 -20.008 -20.308 -5.457 634 HB2 LEU 80 HB2 LEU 80 -21.237 -18.345 -6.531 635 HB3 LEU 80 HB3 LEU 80 -20.527 -18.786 -8.064 636 HG LEU 80 HG LEU 80 -22.895 -19.406 -7.727 637 HD11 LEU 80 HD11 LEU 80 -21.386 -20.715 -9.319 638 HD12 LEU 80 HD12 LEU 80 -21.423 -22.021 -8.109 639 HD13 LEU 80 HD13 LEU 80 -22.918 -21.451 -8.838 640 HD21 LEU 80 HD21 LEU 80 -22.795 -19.993 -5.325 641 HD22 LEU 80 HD22 LEU 80 -23.598 -21.228 -6.303 642 HD23 LEU 80 HD23 LEU 80 -21.944 -21.500 -5.733 643 H SER 81 H SER 81 -19.718 -22.343 -6.327 644 HA SER 81 HA SER 81 -17.375 -23.037 -7.745 645 HB2 SER 81 HB2 SER 81 -19.838 -24.736 -7.233 646 HB3 SER 81 HB3 SER 81 -18.149 -25.265 -7.406 647 HG SER 81 HG SER 81 -18.791 -25.175 -5.199 648 H LYS 82 H LYS 82 -18.218 -21.314 -9.613 649 HA LYS 82 HA LYS 82 -20.072 -22.229 -11.570 650 HB2 LYS 82 HB2 LYS 82 -17.577 -20.491 -11.824 651 HB3 LYS 82 HB3 LYS 82 -18.698 -20.758 -13.153 652 HG2 LYS 82 HG2 LYS 82 -19.504 -19.505 -10.489 653 HG3 LYS 82 HG3 LYS 82 -18.999 -18.603 -11.922 654 HD2 LYS 82 HD2 LYS 82 -20.893 -19.627 -13.220 655 HD3 LYS 82 HD3 LYS 82 -21.421 -20.456 -11.756 656 HE2 LYS 82 HE2 LYS 82 -22.802 -18.543 -11.951 657 HE3 LYS 82 HE3 LYS 82 -21.691 -18.212 -10.623 658 HZ1 LYS 82 HZ1 LYS 82 -21.949 -16.313 -12.117 659 HZ2 LYS 82 HZ2 LYS 82 -20.398 -16.809 -12.153 660 HZ3 LYS 82 HZ3 LYS 82 -21.407 -17.164 -13.399 661 H ASP 83 H ASP 83 -16.569 -22.861 -11.266 662 HA ASP 83 HA ASP 83 -16.439 -24.523 -13.640 663 HB2 ASP 83 HB2 ASP 83 -14.590 -23.096 -12.779 664 HB3 ASP 83 HB3 ASP 83 -14.453 -24.154 -11.372 665 H LEU 84 H LEU 84 -18.470 -25.424 -11.931 666 HA LEU 84 HA LEU 84 -17.797 -28.206 -11.442 667 HB2 LEU 84 HB2 LEU 84 -17.296 -26.635 -9.303 668 HB3 LEU 84 HB3 LEU 84 -19.033 -26.751 -9.093 669 HG LEU 84 HG LEU 84 -17.058 -29.077 -9.218 670 HD11 LEU 84 HD11 LEU 84 -17.468 -29.242 -6.792 671 HD12 LEU 84 HD12 LEU 84 -16.837 -27.638 -7.202 672 HD13 LEU 84 HD13 LEU 84 -18.566 -27.846 -6.861 673 HD21 LEU 84 HD21 LEU 84 -19.206 -29.886 -9.972 674 HD22 LEU 84 HD22 LEU 84 -18.982 -30.414 -8.306 675 HD23 LEU 84 HD23 LEU 84 -20.054 -29.033 -8.659 676 H ASP 85 H ASP 85 -20.114 -25.478 -10.948 677 HA ASP 85 HA ASP 85 -22.525 -26.922 -11.467 678 HB2 ASP 85 HB2 ASP 85 -22.542 -24.702 -10.473 679 HB3 ASP 85 HB3 ASP 85 -21.780 -24.008 -11.907 680 H LYS 86 H LYS 86 -20.266 -25.115 -13.644 681 HA LYS 86 HA LYS 86 -21.596 -25.956 -16.099 682 HB2 LYS 86 HB2 LYS 86 -18.822 -24.837 -15.595 683 HB3 LYS 86 HB3 LYS 86 -19.519 -25.176 -17.180 684 HG2 LYS 86 HG2 LYS 86 -20.531 -23.144 -15.146 685 HG3 LYS 86 HG3 LYS 86 -19.708 -22.855 -16.679 686 HD2 LYS 86 HD2 LYS 86 -21.658 -23.872 -17.892 687 HD3 LYS 86 HD3 LYS 86 -22.523 -23.955 -16.332 688 HE2 LYS 86 HE2 LYS 86 -22.276 -21.521 -16.041 689 HE3 LYS 86 HE3 LYS 86 -21.359 -21.418 -17.550 690 HZ1 LYS 86 HZ1 LYS 86 -23.358 -22.163 -18.737 691 HZ2 LYS 86 HZ2 LYS 86 -24.204 -22.250 -17.334 692 HZ3 LYS 86 HZ3 LYS 86 -23.678 -20.809 -17.882 693 H LEU 87 H LEU 87 -20.739 -27.568 -17.576 694 HA LEU 87 HA LEU 87 -19.911 -29.990 -16.300 695 HB2 LEU 87 HB2 LEU 87 -20.235 -29.051 -19.173 696 HB3 LEU 87 HB3 LEU 87 -19.424 -30.542 -18.852 697 HG LEU 87 HG LEU 87 -21.708 -30.939 -19.461 698 HD11 LEU 87 HD11 LEU 87 -20.556 -32.480 -17.889 699 HD12 LEU 87 HD12 LEU 87 -21.327 -31.636 -16.524 700 HD13 LEU 87 HD13 LEU 87 -22.323 -32.486 -17.719 701 HD21 LEU 87 HD21 LEU 87 -22.715 -28.853 -18.586 702 HD22 LEU 87 HD22 LEU 87 -23.607 -30.299 -18.093 703 HD23 LEU 87 HD23 LEU 87 -22.545 -29.482 -16.930 704 H VAL 88 H VAL 88 -17.946 -31.113 -16.508 705 HA VAL 88 HA VAL 88 -15.541 -29.693 -17.446 706 HB VAL 88 HB VAL 88 -14.339 -30.206 -15.358 707 HG11 VAL 88 HG11 VAL 88 -15.309 -27.950 -15.693 708 HG12 VAL 88 HG12 VAL 88 -16.735 -28.446 -14.758 709 HG13 VAL 88 HG13 VAL 88 -15.139 -28.412 -13.997 710 HG21 VAL 88 HG21 VAL 88 -17.036 -30.907 -14.144 711 HG22 VAL 88 HG22 VAL 88 -15.710 -32.040 -14.501 712 HG23 VAL 88 HG23 VAL 88 -15.483 -30.767 -13.295 713 HA PRO 89 HA PRO 89 -14.348 -33.711 -18.888 714 HB2 PRO 89 HB2 PRO 89 -11.762 -33.373 -17.375 715 HB3 PRO 89 HB3 PRO 89 -12.023 -33.833 -19.087 716 HG2 PRO 89 HG2 PRO 89 -11.248 -31.325 -18.436 717 HG3 PRO 89 HG3 PRO 89 -12.459 -31.610 -19.726 718 HD2 PRO 89 HD2 PRO 89 -12.929 -30.719 -16.893 719 HD3 PRO 89 HD3 PRO 89 -13.742 -30.215 -18.390 720 H ARG 90 H ARG 90 -13.910 -35.913 -18.247 721 HA ARG 90 HA ARG 90 -13.996 -36.613 -15.379 722 HB2 ARG 90 HB2 ARG 90 -15.941 -37.613 -17.506 723 HB3 ARG 90 HB3 ARG 90 -15.702 -38.325 -15.905 724 HG2 ARG 90 HG2 ARG 90 -16.368 -36.134 -14.861 725 HG3 ARG 90 HG3 ARG 90 -16.754 -35.514 -16.484 726 HD2 ARG 90 HD2 ARG 90 -18.392 -37.314 -16.802 727 HD3 ARG 90 HD3 ARG 90 -17.933 -37.998 -15.226 728 HE ARG 90 HE ARG 90 -18.703 -35.318 -14.808 729 HH11 ARG 90 HH12 ARG 90 -20.264 -38.366 -15.793 730 HH12 ARG 90 HH11 ARG 90 -21.813 -37.934 -15.159 731 HH21 ARG 90 HH21 ARG 90 -20.769 -34.750 -13.974 732 HH22 ARG 90 HH22 ARG 90 -22.101 -35.840 -14.106
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