NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
7647 | 1ksr | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT2 ALA 1 -18.443 -11.880 -11.880 2 2H ALA 1 HT1 ALA 1 -19.267 -10.436 -10.436 3 3H ALA 1 HT3 ALA 1 -19.631 -11.290 -11.290 4 HA ALA 1 HA ALA 1 -17.838 -10.522 -10.522 5 1HB ALA 1 HB1 ALA 1 -19.166 -8.565 -8.565 6 2HB ALA 1 HB3 ALA 1 -17.870 -8.412 -8.412 7 3HB ALA 1 HB2 ALA 1 -17.523 -8.204 -8.204 8 H ASP 2 HN ASP 2 -15.782 -8.769 -8.769 9 HA ASP 2 HA ASP 2 -14.082 -10.883 -10.883 10 1HB ASP 2 HB2 ASP 2 -13.313 -10.359 -10.359 11 2HB ASP 2 HB1 ASP 2 -13.319 -8.635 -8.635 12 HA PRO 3 HA PRO 3 -14.107 -7.045 -7.045 13 1HB PRO 3 HB2 PRO 3 -15.841 -7.892 -7.892 14 2HB PRO 3 HB1 PRO 3 -16.355 -6.917 -6.917 15 1HG PRO 3 HG2 PRO 3 -16.746 -9.841 -9.841 16 2HG PRO 3 HG1 PRO 3 -17.761 -8.712 -8.712 17 1HD PRO 3 HD2 PRO 3 -15.979 -10.557 -10.557 18 2HD PRO 3 HD1 PRO 3 -16.654 -9.126 -9.126 19 H GLU 4 HN GLU 4 -13.464 -10.300 -10.300 20 HA GLU 4 HA GLU 4 -11.931 -10.207 -10.207 21 1HB GLU 4 HB2 GLU 4 -14.174 -11.784 -11.784 22 2HB GLU 4 HB1 GLU 4 -12.785 -12.860 -12.860 23 1HG GLU 4 HG2 GLU 4 -13.391 -11.076 -11.076 24 2HG GLU 4 HG1 GLU 4 -13.678 -12.815 -12.815 25 H LYS 5 HN LYS 5 -11.480 -10.215 -10.215 26 HA LYS 5 HA LYS 5 -9.035 -11.863 -11.863 27 1HB LYS 5 HB2 LYS 5 -11.160 -13.123 -13.123 28 2HB LYS 5 HB1 LYS 5 -10.652 -12.256 -12.256 29 1HG LYS 5 HG2 LYS 5 -9.530 -14.398 -14.398 30 2HG LYS 5 HG1 LYS 5 -8.327 -13.159 -13.159 31 1HD LYS 5 HD2 LYS 5 -8.155 -13.783 -13.783 32 2HD LYS 5 HD1 LYS 5 -9.782 -14.462 -14.462 33 1HE LYS 5 HE2 LYS 5 -7.379 -15.656 -15.656 34 2HE LYS 5 HE1 LYS 5 -8.148 -16.279 -16.279 35 1HZ LYS 5 HZ2 LYS 5 -10.224 -16.088 -16.088 36 2HZ LYS 5 HZ1 LYS 5 -8.971 -16.505 -16.505 37 3HZ LYS 5 HZ3 LYS 5 -9.323 -17.505 -17.505 38 H SER 6 HN SER 6 -9.554 -9.059 -9.059 39 HA SER 6 HA SER 6 -8.451 -8.404 -8.404 40 1HB SER 6 HB2 SER 6 -9.862 -6.532 -6.532 41 2HB SER 6 HB1 SER 6 -9.354 -6.169 -6.169 42 HG SER 6 HG SER 6 -10.978 -7.302 -7.302 43 H TYR 7 HN TYR 7 -6.335 -7.937 -7.937 44 HA TYR 7 HA TYR 7 -5.277 -6.431 -6.431 45 1HB TYR 7 HB2 TYR 7 -3.237 -8.021 -8.021 46 2HB TYR 7 HB1 TYR 7 -4.698 -8.623 -8.623 47 HD1 TYR 7 HD1 TYR 7 -6.401 -9.894 -9.894 48 HD2 TYR 7 HD2 TYR 7 -2.311 -9.193 -9.193 49 HE1 TYR 7 HE1 TYR 7 -6.536 -11.737 -11.737 50 HE2 TYR 7 HE2 TYR 7 -2.445 -11.039 -11.039 51 HH TYR 7 HH TYR 7 -4.462 -13.362 -13.362 52 H ALA 8 HN ALA 8 -3.568 -5.057 -5.057 53 HA ALA 8 HA ALA 8 -2.601 -5.051 -5.051 54 1HB ALA 8 HB3 ALA 8 -4.019 -2.988 -2.988 55 2HB ALA 8 HB2 ALA 8 -2.366 -2.445 -2.445 56 3HB ALA 8 HB1 ALA 8 -3.363 -2.957 -2.957 57 H GLU 9 HN GLU 9 -0.402 -5.177 -5.177 58 HA GLU 9 HA GLU 9 1.211 -4.116 -4.116 59 1HB GLU 9 HB2 GLU 9 2.540 -6.273 -6.273 60 2HB GLU 9 HB1 GLU 9 0.904 -6.411 -6.411 61 1HG GLU 9 HG2 GLU 9 0.129 -7.602 -7.602 62 2HG GLU 9 HG1 GLU 9 1.356 -6.934 -6.934 63 H GLY 10 HN GLY 10 3.242 -3.437 -3.437 64 1HA GLY 10 HA2 GLY 10 4.357 -4.234 -4.234 65 2HA GLY 10 HA1 GLY 10 3.724 -2.594 -2.594 66 HA PRO 11 HA PRO 11 8.030 -2.542 -2.542 67 1HB PRO 11 HB2 PRO 11 9.314 -1.528 -1.528 68 2HB PRO 11 HB1 PRO 11 9.182 -3.264 -3.264 69 1HG PRO 11 HG2 PRO 11 7.721 -1.625 -1.625 70 2HG PRO 11 HG1 PRO 11 8.104 -3.355 -3.355 71 1HD PRO 11 HD2 PRO 11 5.594 -2.222 -2.222 72 2HD PRO 11 HD1 PRO 11 6.086 -3.903 -3.903 73 H GLY 12 HN GLY 12 5.565 -0.670 -0.670 74 1HA GLY 12 HA2 GLY 12 6.948 1.919 1.919 75 2HA GLY 12 HA1 GLY 12 5.513 1.746 1.746 76 H LEU 13 HN LEU 13 5.674 3.451 3.451 77 HA LEU 13 HA LEU 13 3.995 4.027 4.027 78 1HB LEU 13 HB2 LEU 13 2.117 2.828 2.828 79 2HB LEU 13 HB1 LEU 13 2.818 1.889 1.889 80 HG LEU 13 HG LEU 13 3.756 0.813 0.813 81 1HD1 LEU 13 HD12 LEU 13 1.136 1.951 1.951 82 2HD1 LEU 13 HD11 LEU 13 1.015 0.193 0.193 83 3HD1 LEU 13 HD13 LEU 13 2.021 1.056 1.056 84 1HD2 LEU 13 HD22 LEU 13 2.377 -0.041 -0.041 85 2HD2 LEU 13 HD21 LEU 13 3.587 -0.893 -0.893 86 3HD2 LEU 13 HD23 LEU 13 1.889 -0.950 -0.950 87 H ASP 14 HN ASP 14 6.486 1.851 1.851 88 HA ASP 14 HA ASP 14 6.361 1.187 1.187 89 1HB ASP 14 HB2 ASP 14 8.922 1.633 1.633 90 2HB ASP 14 HB1 ASP 14 8.576 0.445 0.445 91 H GLY 15 HN GLY 15 7.035 3.985 3.985 92 1HA GLY 15 HA2 GLY 15 7.418 6.196 6.196 93 2HA GLY 15 HA1 GLY 15 7.356 5.627 5.627 94 H GLY 16 HN GLY 16 9.148 6.213 6.213 95 1HA GLY 16 HA2 GLY 16 11.433 6.389 6.389 96 2HA GLY 16 HA1 GLY 16 11.717 5.181 5.181 97 H GLU 17 HN GLU 17 11.193 6.289 6.289 98 HA GLU 17 HA GLU 17 12.656 8.897 8.897 99 1HB GLU 17 HB2 GLU 17 13.055 6.509 6.509 100 2HB GLU 17 HB1 GLU 17 13.675 8.097 8.097 101 1HG GLU 17 HG2 GLU 17 15.227 8.087 8.087 102 2HG GLU 17 HG1 GLU 17 14.248 7.024 7.024 103 H CYS 18 HN CYS 18 12.006 10.418 10.418 104 HA CYS 18 HA CYS 18 9.410 9.981 9.981 105 1HB CYS 18 HB2 CYS 18 11.041 12.413 12.413 106 2HB CYS 18 HB1 CYS 18 9.963 12.486 12.486 107 HG CYS 18 HG CYS 18 8.577 13.186 13.186 108 H PHE 19 HN PHE 19 12.782 10.126 10.126 109 HA PHE 19 HA PHE 19 12.199 10.662 10.662 110 1HB PHE 19 HB2 PHE 19 14.757 10.317 10.317 111 2HB PHE 19 HB1 PHE 19 14.750 10.308 10.308 112 HD1 PHE 19 HD1 PHE 19 12.724 12.138 12.138 113 HD2 PHE 19 HD2 PHE 19 15.454 12.444 12.444 114 HE1 PHE 19 HE1 PHE 19 12.404 14.589 14.589 115 HE2 PHE 19 HE2 PHE 19 15.133 14.903 14.903 116 HZ PHE 19 HZ PHE 19 13.577 15.952 15.952 117 H GLN 20 HN GLN 20 11.541 8.142 8.142 118 HA GLN 20 HA GLN 20 12.734 6.136 6.136 119 1HB GLN 20 HB2 GLN 20 12.498 5.934 5.934 120 2HB GLN 20 HB1 GLN 20 10.877 5.393 5.393 121 1HG GLN 20 HG2 GLN 20 11.686 3.541 3.541 122 2HG GLN 20 HG1 GLN 20 13.304 4.229 4.229 123 1HE2 GLN 20 HE22 GLN 20 12.303 2.089 2.089 124 2HE2 GLN 20 HE21 GLN 20 11.157 2.403 2.403 125 HA PRO 21 HA PRO 21 8.951 6.350 6.350 126 1HB PRO 21 HB2 PRO 21 9.020 3.859 3.859 127 2HB PRO 21 HB1 PRO 21 9.974 5.245 5.245 128 1HG PRO 21 HG2 PRO 21 10.862 2.859 2.859 129 2HG PRO 21 HG1 PRO 21 11.775 3.842 3.842 130 1HD PRO 21 HD2 PRO 21 12.008 4.040 4.040 131 2HD PRO 21 HD1 PRO 21 12.486 5.310 5.310 132 H SER 22 HN SER 22 6.862 6.010 6.010 133 HA SER 22 HA SER 22 6.563 3.783 3.783 134 1HB SER 22 HB2 SER 22 5.921 6.446 6.446 135 2HB SER 22 HB1 SER 22 4.383 5.678 5.678 136 HG SER 22 HG SER 22 6.140 5.133 5.133 137 H LYS 23 HN LYS 23 5.762 1.974 1.974 138 HA LYS 23 HA LYS 23 3.280 2.258 2.258 139 1HB LYS 23 HB2 LYS 23 5.500 0.564 0.564 140 2HB LYS 23 HB1 LYS 23 4.085 1.210 1.210 141 1HG LYS 23 HG2 LYS 23 5.059 3.531 3.531 142 2HG LYS 23 HG1 LYS 23 6.551 2.707 2.707 143 1HD LYS 23 HD2 LYS 23 6.736 1.711 1.711 144 2HD LYS 23 HD1 LYS 23 5.132 2.288 2.288 145 1HE LYS 23 HE2 LYS 23 6.019 4.226 4.226 146 2HE LYS 23 HE1 LYS 23 6.666 4.531 4.531 147 1HZ LYS 23 HZ1 LYS 23 8.140 2.553 2.553 148 2HZ LYS 23 HZ3 LYS 23 8.141 4.073 4.073 149 3HZ LYS 23 HZ2 LYS 23 8.698 3.916 3.916 150 H PHE 24 HN PHE 24 1.933 0.577 0.577 151 HA PHE 24 HA PHE 24 3.023 -1.973 -1.973 152 1HB PHE 24 HB2 PHE 24 0.603 -1.507 -1.507 153 2HB PHE 24 HB1 PHE 24 2.228 -1.687 -1.687 154 HD1 PHE 24 HD2 PHE 24 3.762 0.411 0.411 155 HD2 PHE 24 HD1 PHE 24 -0.525 0.493 0.493 156 HE1 PHE 24 HE2 PHE 24 3.833 2.818 2.818 157 HE2 PHE 24 HE1 PHE 24 -0.458 2.911 2.911 158 HZ PHE 24 HZ PHE 24 1.730 4.057 4.057 159 H LYS 25 HN LYS 25 1.431 -3.750 -3.750 160 HA LYS 25 HA LYS 25 -0.569 -3.165 -3.165 161 1HB LYS 25 HB2 LYS 25 0.788 -5.811 -5.811 162 2HB LYS 25 HB1 LYS 25 -0.282 -5.472 -5.472 163 1HG LYS 25 HG2 LYS 25 1.842 -3.521 -3.521 164 2HG LYS 25 HG1 LYS 25 2.526 -5.147 -5.147 165 1HD LYS 25 HD2 LYS 25 0.277 -4.737 -4.737 166 2HD LYS 25 HD1 LYS 25 1.765 -3.875 -3.875 167 1HE LYS 25 HE2 LYS 25 1.507 -6.275 -6.275 168 2HE LYS 25 HE1 LYS 25 3.027 -5.875 -5.875 169 1HZ LYS 25 HZ2 LYS 25 0.732 -7.094 -7.094 170 2HZ LYS 25 HZ1 LYS 25 1.953 -8.020 -8.020 171 3HZ LYS 25 HZ3 LYS 25 2.341 -6.960 -6.960 172 H ILE 26 HN ILE 26 -2.684 -3.823 -3.823 173 HA ILE 26 HA ILE 26 -3.194 -4.876 -4.876 174 HB ILE 26 HB ILE 26 -5.144 -3.539 -3.539 175 1HG1 ILE 26 HG12 ILE 26 -4.382 -1.934 -1.934 176 2HG1 ILE 26 HG11 ILE 26 -2.937 -2.391 -2.391 177 1HG2 ILE 26 HG21 ILE 26 -5.969 -5.011 -5.011 178 2HG2 ILE 26 HG23 ILE 26 -5.256 -3.821 -3.821 179 3HG2 ILE 26 HG22 ILE 26 -6.557 -3.349 -3.349 180 1HD1 ILE 26 HD12 ILE 26 -5.103 -1.632 -1.632 181 2HD1 ILE 26 HD11 ILE 26 -4.718 -0.336 -0.336 182 3HD1 ILE 26 HD13 ILE 26 -3.460 -0.999 -0.999 183 H HIS 27 HN HIS 27 -4.418 -6.733 -6.733 184 HA HIS 27 HA HIS 27 -5.308 -8.105 -8.105 185 1HB HIS 27 HB2 HIS 27 -4.080 -9.554 -9.554 186 2HB HIS 27 HB1 HIS 27 -4.386 -10.179 -10.179 187 HD1 HIS 27 HD1 HIS 27 -2.471 -7.197 -7.197 188 HD2 HIS 27 HD2 HIS 27 -2.046 -10.186 -10.186 189 HE1 HIS 27 HE1 HIS 27 -0.249 -6.798 -6.798 190 H ALA 28 HN ALA 28 -7.464 -8.311 -8.311 191 HA ALA 28 HA ALA 28 -8.698 -8.657 -8.657 192 1HB ALA 28 HB2 ALA 28 -9.553 -7.449 -7.449 193 2HB ALA 28 HB1 ALA 28 -10.802 -8.327 -8.327 194 3HB ALA 28 HB3 ALA 28 -9.960 -6.985 -6.985 195 H VAL 29 HN VAL 29 -10.159 -10.412 -10.412 196 HA VAL 29 HA VAL 29 -10.389 -12.440 -12.440 197 HB VAL 29 HB VAL 29 -9.241 -12.854 -12.854 198 1HG1 VAL 29 HG12 VAL 29 -10.630 -14.971 -14.971 199 2HG1 VAL 29 HG11 VAL 29 -9.710 -15.277 -15.277 200 3HG1 VAL 29 HG13 VAL 29 -11.212 -14.355 -14.355 201 1HG2 VAL 29 HG22 VAL 29 -8.428 -13.109 -13.109 202 2HG2 VAL 29 HG21 VAL 29 -7.435 -13.162 -13.162 203 3HG2 VAL 29 HG23 VAL 29 -8.205 -14.632 -14.632 204 H ASP 30 HN ASP 30 -12.460 -12.945 -12.945 205 HA ASP 30 HA ASP 30 -14.344 -12.341 -12.341 206 1HB ASP 30 HB2 ASP 30 -15.873 -11.722 -11.722 207 2HB ASP 30 HB1 ASP 30 -14.424 -11.465 -11.465 208 HA PRO 31 HA PRO 31 -15.478 -16.555 -16.555 209 1HB PRO 31 HB2 PRO 31 -18.210 -16.631 -16.631 210 2HB PRO 31 HB1 PRO 31 -17.396 -15.989 -15.989 211 1HG PRO 31 HG2 PRO 31 -18.757 -14.514 -14.514 212 2HG PRO 31 HG1 PRO 31 -18.479 -14.020 -14.020 213 1HD PRO 31 HD2 PRO 31 -17.003 -13.160 -13.160 214 2HD PRO 31 HD1 PRO 31 -16.550 -12.915 -12.915 215 H ASP 32 HN ASP 32 -15.099 -15.512 -15.512 216 HA ASP 32 HA ASP 32 -16.480 -17.875 -17.875 217 1HB ASP 32 HB2 ASP 32 -16.050 -15.080 -15.080 218 2HB ASP 32 HB1 ASP 32 -15.976 -16.375 -16.375 219 H GLY 33 HN GLY 33 -13.629 -17.137 -17.137 220 1HA GLY 33 HA2 GLY 33 -11.477 -18.030 -18.030 221 2HA GLY 33 HA1 GLY 33 -12.152 -18.910 -18.910 222 H VAL 34 HN VAL 34 -12.518 -15.492 -15.492 223 HA VAL 34 HA VAL 34 -10.544 -14.808 -14.808 224 HB VAL 34 HB VAL 34 -13.272 -13.645 -13.645 225 1HG1 VAL 34 HG11 VAL 34 -10.906 -13.541 -13.541 226 2HG1 VAL 34 HG13 VAL 34 -11.787 -14.777 -14.777 227 3HG1 VAL 34 HG12 VAL 34 -12.484 -13.169 -13.169 228 1HG2 VAL 34 HG22 VAL 34 -12.565 -16.516 -16.516 229 2HG2 VAL 34 HG21 VAL 34 -13.942 -15.928 -15.928 230 3HG2 VAL 34 HG23 VAL 34 -13.872 -15.649 -15.649 231 H HIS 35 HN HIS 35 -10.984 -12.198 -12.198 232 HA HIS 35 HA HIS 35 -10.831 -11.128 -11.128 233 1HB HIS 35 HB2 HIS 35 -10.108 -9.758 -9.758 234 2HB HIS 35 HB1 HIS 35 -9.712 -9.208 -9.208 235 HD1 HIS 35 HD1 HIS 35 -7.236 -9.572 -9.572 236 HD2 HIS 35 HD2 HIS 35 -9.123 -12.844 -12.844 237 HE1 HIS 35 HE1 HIS 35 -5.468 -11.367 -11.367 238 H ARG 36 HN ARG 36 -13.364 -11.711 -11.711 239 HA ARG 36 HA ARG 36 -15.507 -10.814 -10.814 240 1HB ARG 36 HB2 ARG 36 -13.737 -8.475 -8.475 241 2HB ARG 36 HB1 ARG 36 -15.368 -8.111 -8.111 242 1HG ARG 36 HG2 ARG 36 -16.169 -9.761 -9.761 243 2HG ARG 36 HG1 ARG 36 -14.545 -9.611 -9.611 244 1HD ARG 36 HD2 ARG 36 -15.540 -7.873 -7.873 245 2HD ARG 36 HD1 ARG 36 -15.082 -7.002 -7.002 246 HE ARG 36 HE ARG 36 -17.678 -7.059 -7.059 247 1HH1 ARG 36 HH11 ARG 36 -18.729 -9.351 -9.351 248 2HH1 ARG 36 HH12 ARG 36 -18.906 -9.094 -9.094 249 1HH2 ARG 36 HH21 ARG 36 -16.719 -6.406 -6.406 250 2HH2 ARG 36 HH22 ARG 36 -17.767 -7.428 -7.428 251 H THR 37 HN THR 37 -15.312 -11.782 -11.782 252 HA THR 37 HA THR 37 -15.536 -11.570 -11.570 253 HB THR 37 HB THR 37 -17.407 -10.243 -10.243 254 HG1 THR 37 HG1 THR 37 -17.508 -8.270 -8.270 255 1HG2 THR 37 HG21 THR 37 -17.567 -11.920 -11.920 256 2HG2 THR 37 HG23 THR 37 -18.095 -10.432 -10.432 257 3HG2 THR 37 HG22 THR 37 -18.966 -11.044 -11.044 258 H ASP 38 HN ASP 38 -13.261 -10.950 -10.950 259 HA ASP 38 HA ASP 38 -12.060 -8.487 -8.487 260 1HB ASP 38 HB2 ASP 38 -11.681 -10.810 -10.810 261 2HB ASP 38 HB1 ASP 38 -11.409 -9.366 -9.366 262 H GLY 39 HN GLY 39 -11.870 -6.618 -6.618 263 1HA GLY 39 HA2 GLY 39 -12.582 -5.121 -5.121 264 2HA GLY 39 HA1 GLY 39 -13.820 -6.287 -6.287 265 H GLY 40 HN GLY 40 -14.989 -6.669 -6.669 266 1HA GLY 40 HA2 GLY 40 -16.136 -3.942 -3.942 267 2HA GLY 40 HA1 GLY 40 -17.116 -5.408 -5.408 268 H ASP 41 HN ASP 41 -13.912 -4.727 -4.727 269 HA ASP 41 HA ASP 41 -14.881 -5.867 -5.867 270 1HB ASP 41 HB2 ASP 41 -12.134 -4.728 -4.728 271 2HB ASP 41 HB1 ASP 41 -12.582 -5.903 -5.903 272 H GLY 42 HN GLY 42 -15.707 -4.539 -4.539 273 1HA GLY 42 HA2 GLY 42 -15.651 -1.659 -1.659 274 2HA GLY 42 HA1 GLY 42 -16.230 -2.542 -2.542 275 H PHE 43 HN PHE 43 -13.112 -2.059 -2.059 276 HA PHE 43 HA PHE 43 -11.767 -1.984 -1.984 277 1HB PHE 43 HB2 PHE 43 -11.121 -3.068 -3.068 278 2HB PHE 43 HB1 PHE 43 -10.008 -1.727 -1.727 279 HD1 PHE 43 HD2 PHE 43 -9.975 -1.875 -1.875 280 HD2 PHE 43 HD1 PHE 43 -9.559 -4.858 -4.858 281 HE1 PHE 43 HE2 PHE 43 -8.628 -3.281 -3.281 282 HE2 PHE 43 HE1 PHE 43 -8.204 -6.254 -6.254 283 HZ PHE 43 HZ PHE 43 -7.748 -5.468 -5.468 284 H VAL 44 HN VAL 44 -11.628 0.029 0.029 285 HA VAL 44 HA VAL 44 -10.887 2.228 2.228 286 HB VAL 44 HB VAL 44 -12.849 3.180 3.180 287 1HG1 VAL 44 HG12 VAL 44 -12.761 1.058 1.058 288 2HG1 VAL 44 HG11 VAL 44 -13.644 2.506 2.506 289 3HG1 VAL 44 HG13 VAL 44 -14.102 1.618 1.618 290 1HG2 VAL 44 HG23 VAL 44 -10.932 4.384 4.384 291 2HG2 VAL 44 HG22 VAL 44 -12.586 4.709 4.709 292 3HG2 VAL 44 HG21 VAL 44 -11.577 3.595 3.595 293 H VAL 45 HN VAL 45 -8.801 2.662 2.662 294 HA VAL 45 HA VAL 45 -7.733 2.508 2.508 295 HB VAL 45 HB VAL 45 -6.031 2.291 2.291 296 1HG1 VAL 45 HG12 VAL 45 -5.803 1.634 1.634 297 2HG1 VAL 45 HG11 VAL 45 -4.800 0.769 0.769 298 3HG1 VAL 45 HG13 VAL 45 -4.680 2.523 2.523 299 1HG2 VAL 45 HG22 VAL 45 -8.033 0.394 0.394 300 2HG2 VAL 45 HG21 VAL 45 -7.008 0.344 0.344 301 3HG2 VAL 45 HG23 VAL 45 -6.417 -0.306 -0.306 302 H THR 46 HN THR 46 -6.294 4.189 4.189 303 HA THR 46 HA THR 46 -5.732 6.342 6.342 304 HB THR 46 HB THR 46 -6.958 7.854 7.854 305 HG1 THR 46 HG1 THR 46 -8.542 5.573 5.573 306 1HG2 THR 46 HG22 THR 46 -7.862 6.866 6.866 307 2HG2 THR 46 HG21 THR 46 -8.813 8.030 8.030 308 3HG2 THR 46 HG23 THR 46 -7.172 8.433 8.433 309 H ILE 47 HN ILE 47 -3.882 7.252 7.252 310 HA ILE 47 HA ILE 47 -3.000 7.090 7.090 311 HB ILE 47 HB ILE 47 -1.475 6.678 6.678 312 1HG1 ILE 47 HG12 ILE 47 -2.070 5.186 5.186 313 2HG1 ILE 47 HG11 ILE 47 -1.606 4.583 4.583 314 1HG2 ILE 47 HG22 ILE 47 -0.320 7.690 7.690 315 2HG2 ILE 47 HG21 ILE 47 0.635 7.091 7.091 316 3HG2 ILE 47 HG23 ILE 47 -0.326 8.550 8.550 317 1HD1 ILE 47 HD11 ILE 47 0.752 5.491 5.491 318 2HD1 ILE 47 HD13 ILE 47 0.190 5.558 5.558 319 3HD1 ILE 47 HD12 ILE 47 0.241 4.014 4.014 320 H GLU 48 HN GLU 48 -1.704 8.927 8.927 321 HA GLU 48 HA GLU 48 -1.263 11.104 11.104 322 1HB GLU 48 HB2 GLU 48 -2.947 12.564 12.564 323 2HB GLU 48 HB1 GLU 48 -3.368 11.976 11.976 324 1HG GLU 48 HG2 GLU 48 -4.622 10.197 10.197 325 2HG GLU 48 HG1 GLU 48 -3.746 10.160 10.160 326 H GLY 49 HN GLY 49 -0.280 12.920 12.920 327 1HA GLY 49 HA2 GLY 49 0.328 12.987 12.987 328 2HA GLY 49 HA1 GLY 49 1.699 12.455 12.455 329 HA PRO 50 HA PRO 50 1.600 17.089 17.089 330 1HB PRO 50 HB2 PRO 50 4.176 17.412 17.412 331 2HB PRO 50 HB1 PRO 50 2.765 17.325 17.325 332 1HG PRO 50 HG2 PRO 50 4.852 15.256 15.256 333 2HG PRO 50 HG1 PRO 50 3.853 15.501 15.501 334 1HD PRO 50 HD2 PRO 50 3.418 13.540 13.540 335 2HD PRO 50 HD1 PRO 50 2.249 14.041 14.041 336 H ALA 51 HN ALA 51 1.621 16.220 16.220 337 HA ALA 51 HA ALA 51 4.100 17.175 17.175 338 1HB ALA 51 HB1 ALA 51 3.644 14.375 14.375 339 2HB ALA 51 HB3 ALA 51 3.526 14.712 14.712 340 3HB ALA 51 HB2 ALA 51 4.986 15.151 15.151 341 HA PRO 52 HA PRO 52 1.372 18.129 18.129 342 1HB PRO 52 HB2 PRO 52 2.825 17.467 17.467 343 2HB PRO 52 HB1 PRO 52 3.191 18.867 18.867 344 1HG PRO 52 HG2 PRO 52 4.632 16.268 16.268 345 2HG PRO 52 HG1 PRO 52 5.244 17.853 17.853 346 1HD PRO 52 HD2 PRO 52 4.555 15.708 15.708 347 2HD PRO 52 HD1 PRO 52 4.889 17.383 17.383 348 H VAL 53 HN VAL 53 2.964 15.066 15.066 349 HA VAL 53 HA VAL 53 0.416 14.096 14.096 350 HB VAL 53 HB VAL 53 3.126 12.739 12.739 351 1HG1 VAL 53 HG13 VAL 53 0.759 11.555 11.555 352 2HG1 VAL 53 HG12 VAL 53 1.133 12.157 12.157 353 3HG1 VAL 53 HG11 VAL 53 2.256 11.071 11.071 354 1HG2 VAL 53 HG23 VAL 53 2.084 14.896 14.896 355 2HG2 VAL 53 HG22 VAL 53 3.743 14.333 14.333 356 3HG2 VAL 53 HG21 VAL 53 2.666 13.517 13.517 357 H ASP 54 HN ASP 54 -0.546 14.099 14.099 358 HA ASP 54 HA ASP 54 0.491 11.970 11.970 359 1HB ASP 54 HB2 ASP 54 -1.678 14.042 14.042 360 2HB ASP 54 HB1 ASP 54 -1.417 12.766 12.766 361 HA PRO 55 HA PRO 55 -3.782 10.097 10.097 362 1HB PRO 55 HB2 PRO 55 -5.317 11.278 11.278 363 2HB PRO 55 HB1 PRO 55 -5.405 11.723 11.723 364 1HG PRO 55 HG2 PRO 55 -4.166 13.216 13.216 365 2HG PRO 55 HG1 PRO 55 -4.817 13.831 13.831 366 1HD PRO 55 HD2 PRO 55 -2.073 13.449 13.449 367 2HD PRO 55 HD1 PRO 55 -2.760 13.785 13.785 368 H VAL 56 HN VAL 56 -2.663 8.365 8.365 369 HA VAL 56 HA VAL 56 -2.680 8.489 8.489 370 HB VAL 56 HB VAL 56 -0.432 7.369 7.369 371 1HG1 VAL 56 HG12 VAL 56 -1.180 7.253 7.253 372 2HG1 VAL 56 HG11 VAL 56 0.292 8.217 8.217 373 3HG1 VAL 56 HG13 VAL 56 0.256 6.573 6.573 374 1HG2 VAL 56 HG21 VAL 56 -0.665 9.845 9.845 375 2HG2 VAL 56 HG23 VAL 56 0.821 9.407 9.407 376 3HG2 VAL 56 HG22 VAL 56 -0.550 10.050 10.050 377 H MET 57 HN MET 57 -4.361 6.912 6.912 378 HA MET 57 HA MET 57 -3.443 4.219 4.219 379 1HB MET 57 HB2 MET 57 -5.504 3.609 3.609 380 2HB MET 57 HB1 MET 57 -4.980 5.123 5.123 381 1HG MET 57 HG2 MET 57 -6.836 5.125 5.125 382 2HG MET 57 HG1 MET 57 -7.462 4.915 4.915 383 1HE MET 57 HE1 MET 57 -6.992 7.223 7.223 384 2HE MET 57 HE3 MET 57 -8.482 7.251 7.251 385 3HE MET 57 HE2 MET 57 -7.484 8.699 8.699 386 H VAL 58 HN VAL 58 -3.887 2.650 2.650 387 HA VAL 58 HA VAL 58 -5.779 3.313 3.313 388 HB VAL 58 HB VAL 58 -3.596 1.756 1.756 389 1HG1 VAL 58 HG12 VAL 58 -5.303 3.860 3.860 390 2HG1 VAL 58 HG11 VAL 58 -3.673 4.519 4.519 391 3HG1 VAL 58 HG13 VAL 58 -4.106 3.057 3.057 392 1HG2 VAL 58 HG22 VAL 58 -2.806 4.332 4.332 393 2HG2 VAL 58 HG21 VAL 58 -2.174 2.716 2.716 394 3HG2 VAL 58 HG23 VAL 58 -1.811 3.520 3.520 395 H ASP 59 HN ASP 59 -6.611 1.411 1.411 396 HA ASP 59 HA ASP 59 -6.306 -1.124 -1.124 397 1HB ASP 59 HB2 ASP 59 -8.539 -0.128 -0.128 398 2HB ASP 59 HB1 ASP 59 -8.749 -0.036 -0.036 399 H ASN 60 HN ASN 60 -5.533 -2.808 -2.808 400 HA ASN 60 HA ASN 60 -5.220 -2.366 -2.366 401 1HB ASN 60 HB2 ASN 60 -3.732 -3.717 -3.717 402 2HB ASN 60 HB1 ASN 60 -4.357 -4.978 -4.978 403 1HD2 ASN 60 HD22 ASN 60 -1.505 -4.183 -4.183 404 2HD2 ASN 60 HD21 ASN 60 -2.154 -5.298 -5.298 405 H GLY 61 HN GLY 61 -7.338 -4.189 -4.189 406 1HA GLY 61 HA2 GLY 61 -9.379 -5.154 -5.154 407 2HA GLY 61 HA1 GLY 61 -8.784 -5.067 -5.067 408 H ASP 62 HN ASP 62 -6.709 -6.485 -6.485 409 HA ASP 62 HA ASP 62 -7.399 -9.187 -9.187 410 1HB ASP 62 HB2 ASP 62 -5.018 -9.780 -9.780 411 2HB ASP 62 HB1 ASP 62 -5.203 -8.392 -8.392 412 H GLY 63 HN GLY 63 -8.293 -7.690 -7.690 413 1HA GLY 63 HA2 GLY 63 -8.918 -8.493 -8.493 414 2HA GLY 63 HA1 GLY 63 -7.860 -9.884 -9.884 415 H THR 64 HN THR 64 -5.865 -7.558 -7.558 416 HA THR 64 HA THR 64 -5.025 -6.914 -6.914 417 HB THR 64 HB THR 64 -2.678 -7.112 -7.112 418 HG1 THR 64 HG1 THR 64 -2.329 -7.174 -7.174 419 1HG2 THR 64 HG22 THR 64 -4.355 -9.128 -9.128 420 2HG2 THR 64 HG21 THR 64 -3.811 -9.704 -9.704 421 3HG2 THR 64 HG23 THR 64 -2.634 -9.361 -9.361 422 H TYR 65 HN TYR 65 -4.811 -4.694 -4.694 423 HA TYR 65 HA TYR 65 -4.560 -3.027 -3.027 424 1HB TYR 65 HB2 TYR 65 -5.911 -2.255 -2.255 425 2HB TYR 65 HB1 TYR 65 -5.917 -1.341 -1.341 426 HD1 TYR 65 HD1 TYR 65 -6.094 -3.763 -3.763 427 HD2 TYR 65 HD2 TYR 65 -8.322 -2.667 -2.667 428 HE1 TYR 65 HE1 TYR 65 -8.001 -5.101 -5.101 429 HE2 TYR 65 HE2 TYR 65 -10.233 -4.009 -4.009 430 HH TYR 65 HH TYR 65 -10.010 -6.280 -6.280 431 H ASP 66 HN ASP 66 -3.307 -0.999 -0.999 432 HA ASP 66 HA ASP 66 -1.320 -1.290 -1.290 433 1HB ASP 66 HB2 ASP 66 0.424 -0.590 -0.590 434 2HB ASP 66 HB1 ASP 66 -0.455 -1.913 -1.913 435 H VAL 67 HN VAL 67 -0.449 0.611 0.611 436 HA VAL 67 HA VAL 67 -1.706 3.159 3.159 437 HB VAL 67 HB VAL 67 -2.364 3.694 3.694 438 1HG1 VAL 67 HG13 VAL 67 -3.434 1.533 1.533 439 2HG1 VAL 67 HG12 VAL 67 -2.938 0.790 0.790 440 3HG1 VAL 67 HG11 VAL 67 -4.059 2.151 2.151 441 1HG2 VAL 67 HG21 VAL 67 -0.731 1.310 1.310 442 2HG2 VAL 67 HG23 VAL 67 -0.387 3.003 3.003 443 3HG2 VAL 67 HG22 VAL 67 -1.787 2.217 2.217 444 H GLU 68 HN GLU 68 -0.211 4.989 4.989 445 HA GLU 68 HA GLU 68 2.357 4.378 4.378 446 1HB GLU 68 HB2 GLU 68 2.470 5.421 5.421 447 2HB GLU 68 HB1 GLU 68 3.747 4.659 4.659 448 1HG GLU 68 HG2 GLU 68 3.088 2.972 2.972 449 2HG GLU 68 HG1 GLU 68 2.221 2.550 2.550 450 H PHE 69 HN PHE 69 3.124 6.139 6.139 451 HA PHE 69 HA PHE 69 2.572 8.812 8.812 452 1HB PHE 69 HB2 PHE 69 2.100 9.840 9.840 453 2HB PHE 69 HB1 PHE 69 0.996 8.483 8.483 454 HD1 PHE 69 HD1 PHE 69 2.156 6.142 6.142 455 HD2 PHE 69 HD2 PHE 69 3.087 10.085 10.085 456 HE1 PHE 69 HE1 PHE 69 3.032 5.192 5.192 457 HE2 PHE 69 HE2 PHE 69 3.954 9.123 9.123 458 HZ PHE 69 HZ PHE 69 3.907 6.660 6.660 459 H GLU 70 HN GLU 70 4.308 10.404 10.404 460 HA GLU 70 HA GLU 70 6.704 9.212 9.212 461 1HB GLU 70 HB2 GLU 70 6.960 8.566 8.566 462 2HB GLU 70 HB1 GLU 70 6.651 10.220 10.220 463 1HG GLU 70 HG2 GLU 70 8.750 10.932 10.932 464 2HG GLU 70 HG1 GLU 70 8.822 9.909 9.909 465 HA PRO 71 HA PRO 71 6.459 13.617 13.617 466 1HB PRO 71 HB2 PRO 71 7.566 13.226 13.226 467 2HB PRO 71 HB1 PRO 71 5.844 12.996 12.996 468 1HG PRO 71 HG2 PRO 71 7.951 10.940 10.940 469 2HG PRO 71 HG1 PRO 71 6.203 10.828 10.828 470 1HD PRO 71 HD2 PRO 71 7.659 9.770 9.770 471 2HD PRO 71 HD1 PRO 71 5.892 9.911 9.911 472 H LYS 72 HN LYS 72 8.285 15.124 15.124 473 HA LYS 72 HA LYS 72 10.988 14.087 14.087 474 1HB LYS 72 HB2 LYS 72 11.228 16.625 16.625 475 2HB LYS 72 HB1 LYS 72 10.723 15.317 15.317 476 1HG LYS 72 HG2 LYS 72 8.548 16.041 16.041 477 2HG LYS 72 HG1 LYS 72 8.571 16.620 16.620 478 1HD LYS 72 HD2 LYS 72 8.747 18.699 18.699 479 2HD LYS 72 HD1 LYS 72 10.403 18.268 18.268 480 1HE LYS 72 HE2 LYS 72 9.859 18.456 18.456 481 2HE LYS 72 HE1 LYS 72 8.713 17.131 17.131 482 1HZ LYS 72 HZ1 LYS 72 7.810 19.685 19.685 483 2HZ LYS 72 HZ3 LYS 72 8.030 19.629 19.629 484 3HZ LYS 72 HZ2 LYS 72 6.982 18.526 18.526 485 H GLU 73 HN GLU 73 9.596 14.839 14.839 486 HA GLU 73 HA GLU 73 11.920 16.312 16.312 487 1HB GLU 73 HB2 GLU 73 10.594 18.092 18.092 488 2HB GLU 73 HB1 GLU 73 10.258 18.055 18.055 489 1HG GLU 73 HG2 GLU 73 8.085 17.574 17.574 490 2HG GLU 73 HG1 GLU 73 8.490 16.255 16.255 491 H ALA 74 HN ALA 74 10.113 16.869 16.869 492 HA ALA 74 HA ALA 74 10.288 14.121 14.121 493 1HB ALA 74 HB1 ALA 74 11.008 16.668 16.668 494 2HB ALA 74 HB3 ALA 74 9.605 16.140 16.140 495 3HB ALA 74 HB2 ALA 74 11.049 15.129 15.129 496 H GLY 75 HN GLY 75 8.396 13.012 13.012 497 1HA GLY 75 HA2 GLY 75 5.932 14.484 14.484 498 2HA GLY 75 HA1 GLY 75 5.982 13.812 13.812 499 H ASP 76 HN ASP 76 4.080 13.069 13.069 500 HA ASP 76 HA ASP 76 4.866 10.253 10.253 501 1HB ASP 76 HB2 ASP 76 3.009 10.307 10.307 502 2HB ASP 76 HB1 ASP 76 4.244 11.511 11.511 503 H TYR 77 HN TYR 77 3.203 8.670 8.670 504 HA TYR 77 HA TYR 77 1.495 9.591 9.591 505 1HB TYR 77 HB2 TYR 77 2.401 6.767 6.767 506 2HB TYR 77 HB1 TYR 77 1.710 7.434 7.434 507 HD1 TYR 77 HD2 TYR 77 3.349 10.095 10.095 508 HD2 TYR 77 HD1 TYR 77 4.348 5.929 5.929 509 HE1 TYR 77 HE2 TYR 77 5.591 10.633 10.633 510 HE2 TYR 77 HE1 TYR 77 6.585 6.451 6.451 511 HH TYR 77 HH TYR 77 7.809 8.115 8.115 512 H VAL 78 HN VAL 78 -0.588 9.061 9.061 513 HA VAL 78 HA VAL 78 -1.647 7.389 7.389 514 HB VAL 78 HB VAL 78 -2.514 9.520 9.520 515 1HG1 VAL 78 HG12 VAL 78 -1.692 10.534 10.534 516 2HG1 VAL 78 HG11 VAL 78 -3.118 9.878 9.878 517 3HG1 VAL 78 HG13 VAL 78 -3.299 11.091 11.091 518 1HG2 VAL 78 HG22 VAL 78 -4.191 7.509 7.509 519 2HG2 VAL 78 HG21 VAL 78 -4.722 9.004 9.004 520 3HG2 VAL 78 HG23 VAL 78 -4.769 8.851 8.851 521 H ILE 79 HN ILE 79 -2.635 5.621 5.621 522 HA ILE 79 HA ILE 79 -3.083 5.482 5.482 523 HB ILE 79 HB ILE 79 -3.299 2.910 2.910 524 1HG1 ILE 79 HG12 ILE 79 -1.905 3.921 3.921 525 2HG1 ILE 79 HG11 ILE 79 -1.002 2.717 2.717 526 1HG2 ILE 79 HG21 ILE 79 -1.295 4.169 4.169 527 2HG2 ILE 79 HG23 ILE 79 -1.388 2.443 2.443 528 3HG2 ILE 79 HG22 ILE 79 -2.734 3.254 3.254 529 1HD1 ILE 79 HD13 ILE 79 -0.841 5.453 5.453 530 2HD1 ILE 79 HD12 ILE 79 -0.110 5.258 5.258 531 3HD1 ILE 79 HD11 ILE 79 0.435 4.260 4.260 532 H ASN 80 HN ASN 80 -4.785 4.293 4.293 533 HA ASN 80 HA ASN 80 -7.138 3.811 3.811 534 1HB ASN 80 HB2 ASN 80 -7.454 5.537 5.537 535 2HB ASN 80 HB1 ASN 80 -8.553 5.327 5.327 536 1HD2 ASN 80 HD22 ASN 80 -6.886 7.686 7.686 537 2HD2 ASN 80 HD21 ASN 80 -7.939 6.354 6.354 538 H LEU 81 HN LEU 81 -7.594 1.793 1.793 539 HA LEU 81 HA LEU 81 -7.678 1.126 1.126 540 1HB LEU 81 HB2 LEU 81 -5.558 0.220 0.220 541 2HB LEU 81 HB1 LEU 81 -6.342 -0.479 -0.479 542 HG LEU 81 HG LEU 81 -5.783 -1.967 -1.967 543 1HD1 LEU 81 HD13 LEU 81 -7.335 -2.243 -2.243 544 2HD1 LEU 81 HD12 LEU 81 -8.547 -2.441 -2.441 545 3HD1 LEU 81 HD11 LEU 81 -7.138 -3.502 -3.502 546 1HD2 LEU 81 HD22 LEU 81 -7.400 -0.202 -0.202 547 2HD2 LEU 81 HD21 LEU 81 -7.220 -1.874 -1.874 548 3HD2 LEU 81 HD23 LEU 81 -8.591 -1.403 -1.403 549 H THR 82 HN THR 82 -9.740 0.497 0.497 550 HA THR 82 HA THR 82 -11.135 -0.968 -0.968 551 HB THR 82 HB THR 82 -13.192 0.388 0.388 552 HG1 THR 82 HG1 THR 82 -11.357 1.285 1.285 553 1HG2 THR 82 HG22 THR 82 -11.052 0.988 0.988 554 2HG2 THR 82 HG21 THR 82 -11.832 2.458 2.458 555 3HG2 THR 82 HG23 THR 82 -12.793 1.199 1.199 556 H LEU 83 HN LEU 83 -12.376 -2.671 -2.671 557 HA LEU 83 HA LEU 83 -13.112 -2.985 -2.985 558 1HB LEU 83 HB2 LEU 83 -10.965 -4.260 -4.260 559 2HB LEU 83 HB1 LEU 83 -11.935 -5.288 -5.288 560 HG LEU 83 HG LEU 83 -11.571 -6.107 -6.107 561 1HD1 LEU 83 HD12 LEU 83 -13.420 -6.772 -6.772 562 2HD1 LEU 83 HD11 LEU 83 -14.488 -5.804 -5.804 563 3HD1 LEU 83 HD13 LEU 83 -13.651 -7.200 -7.200 564 1HD2 LEU 83 HD22 LEU 83 -12.074 -3.813 -3.813 565 2HD2 LEU 83 HD21 LEU 83 -12.985 -5.134 -5.134 566 3HD2 LEU 83 HD23 LEU 83 -13.760 -4.072 -4.072 567 H ASP 84 HN ASP 84 -15.186 -2.345 -2.345 568 HA ASP 84 HA ASP 84 -17.254 -3.930 -3.930 569 1HB ASP 84 HB2 ASP 84 -15.676 -4.761 -4.761 570 2HB ASP 84 HB1 ASP 84 -17.436 -4.832 -4.832 571 H GLY 85 HN GLY 85 -15.506 -1.613 -1.613 572 1HA GLY 85 HA2 GLY 85 -16.912 0.533 0.533 573 2HA GLY 85 HA1 GLY 85 -18.034 -0.507 -0.507 574 H ASP 86 HN ASP 86 -14.961 -1.675 -1.675 575 HA ASP 86 HA ASP 86 -14.633 0.118 0.118 576 1HB ASP 86 HB2 ASP 86 -15.064 -2.789 -2.789 577 2HB ASP 86 HB1 ASP 86 -13.622 -2.342 -2.342 578 H ASN 87 HN ASN 87 -12.229 -0.363 -0.363 579 HA ASN 87 HA ASN 87 -10.518 -0.463 -0.463 580 1HB ASN 87 HB2 ASN 87 -8.869 0.835 0.835 581 2HB ASN 87 HB1 ASN 87 -10.339 1.702 1.702 582 1HD2 ASN 87 HD22 ASN 87 -10.807 2.404 2.404 583 2HD2 ASN 87 HD21 ASN 87 -10.620 3.020 3.020 584 H VAL 88 HN VAL 88 -8.371 -1.449 -1.449 585 HA VAL 88 HA VAL 88 -8.531 -3.946 -3.946 586 HB VAL 88 HB VAL 88 -6.344 -2.508 -2.508 587 1HG1 VAL 88 HG12 VAL 88 -5.241 -3.611 -3.611 588 2HG1 VAL 88 HG11 VAL 88 -6.021 -5.129 -5.129 589 3HG1 VAL 88 HG13 VAL 88 -4.832 -4.404 -4.404 590 1HG2 VAL 88 HG23 VAL 88 -8.205 -3.843 -3.843 591 2HG2 VAL 88 HG22 VAL 88 -6.570 -4.376 -4.376 592 3HG2 VAL 88 HG21 VAL 88 -7.528 -5.272 -5.272 593 H ASN 89 HN ASN 89 -6.723 -4.601 -4.601 594 HA ASN 89 HA ASN 89 -6.909 -2.665 -2.665 595 1HB ASN 89 HB2 ASN 89 -6.192 -4.407 -4.407 596 2HB ASN 89 HB1 ASN 89 -7.144 -5.227 -5.227 597 1HD2 ASN 89 HD22 ASN 89 -4.319 -6.877 -6.877 598 2HD2 ASN 89 HD21 ASN 89 -5.918 -6.383 -6.383 599 H GLY 90 HN GLY 90 -5.094 -2.126 -2.126 600 1HA GLY 90 HA2 GLY 90 -2.783 -1.286 -1.286 601 2HA GLY 90 HA1 GLY 90 -2.423 -2.306 -2.306 602 H PHE 91 HN PHE 91 -5.115 -0.282 -0.282 603 HA PHE 91 HA PHE 91 -3.445 1.472 1.472 604 1HB PHE 91 HB2 PHE 91 -6.070 0.208 0.208 605 2HB PHE 91 HB1 PHE 91 -5.974 1.880 1.880 606 HD1 PHE 91 HD1 PHE 91 -4.571 -1.500 -1.500 607 HD2 PHE 91 HD2 PHE 91 -4.515 2.500 2.500 608 HE1 PHE 91 HE1 PHE 91 -3.212 -2.240 -2.240 609 HE2 PHE 91 HE2 PHE 91 -3.169 1.781 1.781 610 HZ PHE 91 HZ PHE 91 -2.518 -0.613 -0.613 611 HA PRO 92 HA PRO 92 -6.293 4.566 4.566 612 1HB PRO 92 HB2 PRO 92 -7.453 3.796 3.796 613 2HB PRO 92 HB1 PRO 92 -8.271 3.706 3.706 614 1HG PRO 92 HG2 PRO 92 -7.108 1.507 1.507 615 2HG PRO 92 HG1 PRO 92 -8.420 1.448 1.448 616 1HD PRO 92 HD2 PRO 92 -5.761 0.621 0.621 617 2HD PRO 92 HD1 PRO 92 -6.974 0.887 0.887 618 H LYS 93 HN LYS 93 -3.735 2.854 2.854 619 HA LYS 93 HA LYS 93 -3.070 4.197 4.197 620 1HB LYS 93 HB2 LYS 93 -2.569 1.725 1.725 621 2HB LYS 93 HB1 LYS 93 -1.373 2.281 2.281 622 1HG LYS 93 HG2 LYS 93 -1.213 3.603 3.603 623 2HG LYS 93 HG1 LYS 93 -0.844 1.878 1.878 624 1HD LYS 93 HD2 LYS 93 0.399 3.166 3.166 625 2HD LYS 93 HD1 LYS 93 0.882 3.952 3.952 626 1HE LYS 93 HE2 LYS 93 1.110 1.399 1.399 627 2HE LYS 93 HE1 LYS 93 1.397 1.168 1.168 628 1HZ LYS 93 HZ3 LYS 93 2.880 3.354 3.354 629 2HZ LYS 93 HZ2 LYS 93 3.060 2.411 2.411 630 3HZ LYS 93 HZ1 LYS 93 3.476 1.771 1.771 631 H THR 94 HN THR 94 -0.773 5.121 5.121 632 HA THR 94 HA THR 94 -0.326 6.557 6.557 633 HB THR 94 HB THR 94 0.151 7.709 7.709 634 HG1 THR 94 HG1 THR 94 -2.102 7.175 7.175 635 1HG2 THR 94 HG22 THR 94 1.384 8.633 8.633 636 2HG2 THR 94 HG21 THR 94 -0.176 9.031 9.031 637 3HG2 THR 94 HG23 THR 94 0.322 9.798 9.798 638 H VAL 95 HN VAL 95 1.652 6.318 6.318 639 HA VAL 95 HA VAL 95 3.720 5.222 5.222 640 HB VAL 95 HB VAL 95 3.395 5.122 5.122 641 1HG1 VAL 95 HG11 VAL 95 5.746 5.926 5.926 642 2HG1 VAL 95 HG13 VAL 95 5.953 4.354 4.354 643 3HG1 VAL 95 HG12 VAL 95 5.645 4.457 4.457 644 1HG2 VAL 95 HG23 VAL 95 2.657 3.362 3.362 645 2HG2 VAL 95 HG22 VAL 95 3.441 2.817 2.817 646 3HG2 VAL 95 HG21 VAL 95 4.372 2.946 2.946 647 H THR 96 HN THR 96 5.908 6.270 6.270 648 HA THR 96 HA THR 96 5.598 9.145 9.145 649 HB THR 96 HB THR 96 7.010 7.917 7.917 650 HG1 THR 96 HG1 THR 96 5.269 8.491 8.491 651 1HG2 THR 96 HG22 THR 96 7.117 10.649 10.649 652 2HG2 THR 96 HG21 THR 96 7.168 10.504 10.504 653 3HG2 THR 96 HG23 THR 96 8.400 9.718 9.718 654 H VAL 97 HN VAL 97 7.198 10.210 10.210 655 HA VAL 97 HA VAL 97 9.774 8.798 8.798 656 HB VAL 97 HB VAL 97 7.965 10.288 10.288 657 1HG1 VAL 97 HG12 VAL 97 10.982 10.192 10.192 658 2HG1 VAL 97 HG11 VAL 97 9.997 10.426 10.426 659 3HG1 VAL 97 HG13 VAL 97 9.943 11.612 11.612 660 1HG2 VAL 97 HG23 VAL 97 9.662 7.804 7.804 661 2HG2 VAL 97 HG22 VAL 97 7.946 7.956 7.956 662 3HG2 VAL 97 HG21 VAL 97 9.153 8.530 8.530 663 H LYS 98 HN LYS 98 11.618 10.146 10.146 664 HA LYS 98 HA LYS 98 11.152 12.634 12.634 665 1HB LYS 98 HB2 LYS 98 13.920 11.682 11.682 666 2HB LYS 98 HB1 LYS 98 13.206 12.266 12.266 667 1HG LYS 98 HG2 LYS 98 12.713 9.533 9.533 668 2HG LYS 98 HG1 LYS 98 13.757 9.869 9.869 669 1HD LYS 98 HD2 LYS 98 11.228 11.086 11.086 670 2HD LYS 98 HD1 LYS 98 10.936 9.423 9.423 671 1HE LYS 98 HE2 LYS 98 12.401 8.557 8.557 672 2HE LYS 98 HE1 LYS 98 12.982 10.173 10.173 673 1HZ LYS 98 HZ3 LYS 98 10.755 10.754 10.754 674 2HZ LYS 98 HZ2 LYS 98 10.197 9.197 9.197 675 3HZ LYS 98 HZ1 LYS 98 11.334 9.412 9.412 676 HA PRO 99 HA PRO 99 12.518 15.409 15.409 677 1HB PRO 99 HB2 PRO 99 14.874 16.592 16.592 678 2HB PRO 99 HB1 PRO 99 13.272 16.998 16.998 679 1HG PRO 99 HG2 PRO 99 15.441 15.382 15.382 680 2HG PRO 99 HG1 PRO 99 14.170 16.346 16.346 681 1HD PRO 99 HD2 PRO 99 14.166 13.562 13.562 682 2HD PRO 99 HD1 PRO 99 12.737 14.549 14.549 683 H ALA 100 HN ALA 100 12.861 13.884 13.884 684 HA ALA 100 HA ALA 100 15.060 12.285 12.285 685 1HB ALA 100 HB2 ALA 100 12.809 12.646 12.646 686 2HB ALA 100 HB1 ALA 100 13.724 13.814 13.814 687 3HB ALA 100 HB3 ALA 100 14.222 12.123 12.123 Start of MODEL 2 1 1H ALA 1 HT3 ALA 1 -18.394 -11.944 -11.944 2 2H ALA 1 HT2 ALA 1 -19.223 -10.462 -10.462 3 3H ALA 1 HT1 ALA 1 -19.565 -11.592 -11.592 4 HA ALA 1 HA ALA 1 -17.731 -11.083 -11.083 5 1HB ALA 1 HB3 ALA 1 -19.149 -8.988 -8.988 6 2HB ALA 1 HB2 ALA 1 -17.826 -8.523 -8.523 7 3HB ALA 1 HB1 ALA 1 -17.532 -8.736 -8.736 8 H ASP 2 HN ASP 2 -15.779 -9.026 -9.026 9 HA ASP 2 HA ASP 2 -14.038 -10.784 -10.784 10 1HB ASP 2 HB2 ASP 2 -13.261 -10.573 -10.573 11 2HB ASP 2 HB1 ASP 2 -13.286 -8.813 -8.813 12 HA PRO 3 HA PRO 3 -14.291 -6.542 -6.542 13 1HB PRO 3 HB2 PRO 3 -16.091 -7.097 -7.097 14 2HB PRO 3 HB1 PRO 3 -16.564 -6.379 -6.379 15 1HG PRO 3 HG2 PRO 3 -16.926 -9.187 -9.187 16 2HG PRO 3 HG1 PRO 3 -17.916 -8.252 -8.252 17 1HD PRO 3 HD2 PRO 3 -16.048 -10.221 -10.221 18 2HD PRO 3 HD1 PRO 3 -16.720 -8.969 -8.969 19 H GLU 4 HN GLU 4 -13.557 -9.731 -9.731 20 HA GLU 4 HA GLU 4 -12.127 -9.176 -9.176 21 1HB GLU 4 HB2 GLU 4 -14.341 -10.901 -10.901 22 2HB GLU 4 HB1 GLU 4 -12.920 -11.907 -11.907 23 1HG GLU 4 HG2 GLU 4 -12.459 -10.838 -10.838 24 2HG GLU 4 HG1 GLU 4 -13.627 -9.557 -9.557 25 H LYS 5 HN LYS 5 -11.590 -9.803 -9.803 26 HA LYS 5 HA LYS 5 -9.176 -11.398 -11.398 27 1HB LYS 5 HB2 LYS 5 -11.450 -12.273 -12.273 28 2HB LYS 5 HB1 LYS 5 -9.818 -12.615 -12.615 29 1HG LYS 5 HG2 LYS 5 -10.186 -13.209 -13.209 30 2HG LYS 5 HG1 LYS 5 -11.224 -14.172 -14.172 31 1HD LYS 5 HD2 LYS 5 -9.402 -15.114 -15.114 32 2HD LYS 5 HD1 LYS 5 -8.298 -13.838 -13.838 33 1HE LYS 5 HE2 LYS 5 -7.639 -15.480 -15.480 34 2HE LYS 5 HE1 LYS 5 -8.957 -14.785 -14.785 35 1HZ LYS 5 HZ3 LYS 5 -10.074 -16.633 -16.633 36 2HZ LYS 5 HZ2 LYS 5 -8.728 -17.387 -17.387 37 3HZ LYS 5 HZ1 LYS 5 -9.959 -16.742 -16.742 38 H SER 6 HN SER 6 -9.578 -8.670 -8.670 39 HA SER 6 HA SER 6 -8.403 -8.435 -8.435 40 1HB SER 6 HB2 SER 6 -9.773 -6.270 -6.270 41 2HB SER 6 HB1 SER 6 -9.270 -6.181 -6.181 42 HG SER 6 HG SER 6 -11.107 -7.041 -7.041 43 H TYR 7 HN TYR 7 -6.233 -8.164 -8.164 44 HA TYR 7 HA TYR 7 -5.257 -6.396 -6.396 45 1HB TYR 7 HB2 TYR 7 -3.225 -7.877 -7.877 46 2HB TYR 7 HB1 TYR 7 -4.714 -8.658 -8.658 47 HD1 TYR 7 HD1 TYR 7 -5.949 -10.176 -10.176 48 HD2 TYR 7 HD2 TYR 7 -2.007 -8.670 -8.670 49 HE1 TYR 7 HE1 TYR 7 -5.632 -11.929 -11.929 50 HE2 TYR 7 HE2 TYR 7 -1.693 -10.423 -10.423 51 HH TYR 7 HH TYR 7 -4.180 -12.897 -12.897 52 H ALA 8 HN ALA 8 -3.548 -5.023 -5.023 53 HA ALA 8 HA ALA 8 -2.618 -4.976 -4.976 54 1HB ALA 8 HB2 ALA 8 -3.176 -2.656 -2.656 55 2HB ALA 8 HB1 ALA 8 -2.365 -2.496 -2.496 56 3HB ALA 8 HB3 ALA 8 -4.040 -3.040 -3.040 57 H GLU 9 HN GLU 9 -0.403 -5.249 -5.249 58 HA GLU 9 HA GLU 9 1.267 -4.268 -4.268 59 1HB GLU 9 HB2 GLU 9 2.520 -6.403 -6.403 60 2HB GLU 9 HB1 GLU 9 0.825 -6.643 -6.643 61 1HG GLU 9 HG2 GLU 9 0.308 -7.590 -7.590 62 2HG GLU 9 HG1 GLU 9 1.778 -6.958 -6.958 63 H GLY 10 HN GLY 10 3.265 -3.529 -3.529 64 1HA GLY 10 HA2 GLY 10 4.420 -4.270 -4.270 65 2HA GLY 10 HA1 GLY 10 3.772 -2.638 -2.638 66 HA PRO 11 HA PRO 11 8.053 -2.569 -2.569 67 1HB PRO 11 HB2 PRO 11 9.359 -1.494 -1.494 68 2HB PRO 11 HB1 PRO 11 9.241 -3.238 -3.238 69 1HG PRO 11 HG2 PRO 11 7.793 -1.571 -1.571 70 2HG PRO 11 HG1 PRO 11 8.192 -3.295 -3.295 71 1HD PRO 11 HD2 PRO 11 5.662 -2.195 -2.195 72 2HD PRO 11 HD1 PRO 11 6.161 -3.880 -3.880 73 H GLY 12 HN GLY 12 5.578 -0.699 -0.699 74 1HA GLY 12 HA2 GLY 12 6.945 1.892 1.892 75 2HA GLY 12 HA1 GLY 12 5.490 1.730 1.730 76 H LEU 13 HN LEU 13 5.690 3.360 3.360 77 HA LEU 13 HA LEU 13 4.022 3.856 3.856 78 1HB LEU 13 HB2 LEU 13 2.167 2.615 2.615 79 2HB LEU 13 HB1 LEU 13 2.839 1.776 1.776 80 HG LEU 13 HG LEU 13 3.887 0.549 0.549 81 1HD1 LEU 13 HD11 LEU 13 1.745 1.705 1.705 82 2HD1 LEU 13 HD13 LEU 13 0.896 0.471 0.471 83 3HD1 LEU 13 HD12 LEU 13 2.004 -0.002 -0.002 84 1HD2 LEU 13 HD22 LEU 13 2.427 -0.166 -0.166 85 2HD2 LEU 13 HD21 LEU 13 3.670 -1.066 -1.066 86 3HD2 LEU 13 HD23 LEU 13 1.988 -1.164 -1.164 87 H ASP 14 HN ASP 14 6.570 1.767 1.767 88 HA ASP 14 HA ASP 14 6.442 0.921 0.921 89 1HB ASP 14 HB2 ASP 14 8.999 1.567 1.567 90 2HB ASP 14 HB1 ASP 14 8.674 0.275 0.275 91 H GLY 15 HN GLY 15 7.070 3.857 3.857 92 1HA GLY 15 HA2 GLY 15 7.263 6.022 6.022 93 2HA GLY 15 HA1 GLY 15 7.491 5.236 5.236 94 H GLY 16 HN GLY 16 9.344 5.907 5.907 95 1HA GLY 16 HA2 GLY 16 11.665 6.191 6.191 96 2HA GLY 16 HA1 GLY 16 11.850 5.141 5.141 97 H GLU 17 HN GLU 17 11.806 6.140 6.140 98 HA GLU 17 HA GLU 17 12.660 8.995 8.995 99 1HB GLU 17 HB2 GLU 17 13.410 6.723 6.723 100 2HB GLU 17 HB1 GLU 17 13.660 8.375 8.375 101 1HG GLU 17 HG2 GLU 17 15.564 8.438 8.438 102 2HG GLU 17 HG1 GLU 17 14.605 8.210 8.210 103 H CYS 18 HN CYS 18 11.838 10.480 10.480 104 HA CYS 18 HA CYS 18 9.278 9.829 9.829 105 1HB CYS 18 HB2 CYS 18 10.701 12.363 12.363 106 2HB CYS 18 HB1 CYS 18 9.634 12.397 12.397 107 HG CYS 18 HG CYS 18 7.829 12.684 12.684 108 H PHE 19 HN PHE 19 12.585 10.168 10.168 109 HA PHE 19 HA PHE 19 12.004 10.807 10.807 110 1HB PHE 19 HB2 PHE 19 14.555 10.417 10.417 111 2HB PHE 19 HB1 PHE 19 14.550 10.589 10.589 112 HD1 PHE 19 HD2 PHE 19 13.198 12.559 12.559 113 HD2 PHE 19 HD1 PHE 19 14.455 12.341 12.341 114 HE1 PHE 19 HE2 PHE 19 12.837 14.997 14.997 115 HE2 PHE 19 HE1 PHE 19 14.085 14.779 14.779 116 HZ PHE 19 HZ PHE 19 13.270 16.090 16.090 117 H GLN 20 HN GLN 20 11.474 8.179 8.179 118 HA GLN 20 HA GLN 20 12.709 6.289 6.289 119 1HB GLN 20 HB2 GLN 20 12.911 5.648 5.648 120 2HB GLN 20 HB1 GLN 20 11.174 5.844 5.844 121 1HG GLN 20 HG2 GLN 20 10.857 4.065 4.065 122 2HG GLN 20 HG1 GLN 20 12.592 3.769 3.769 123 1HE2 GLN 20 HE22 GLN 20 11.714 1.398 1.398 124 2HE2 GLN 20 HE21 GLN 20 12.249 1.604 1.604 125 HA PRO 21 HA PRO 21 8.901 6.403 6.403 126 1HB PRO 21 HB2 PRO 21 9.009 3.914 3.914 127 2HB PRO 21 HB1 PRO 21 9.913 5.329 5.329 128 1HG PRO 21 HG2 PRO 21 10.894 2.976 2.976 129 2HG PRO 21 HG1 PRO 21 11.753 3.956 3.956 130 1HD PRO 21 HD2 PRO 21 12.096 4.222 4.222 131 2HD PRO 21 HD1 PRO 21 12.435 5.512 5.512 132 H SER 22 HN SER 22 6.837 6.035 6.035 133 HA SER 22 HA SER 22 6.532 3.805 3.805 134 1HB SER 22 HB2 SER 22 5.864 6.475 6.475 135 2HB SER 22 HB1 SER 22 4.337 5.676 5.676 136 HG SER 22 HG SER 22 5.137 4.174 4.174 137 H LYS 23 HN LYS 23 5.735 1.994 1.994 138 HA LYS 23 HA LYS 23 3.268 2.289 2.289 139 1HB LYS 23 HB2 LYS 23 5.503 0.650 0.650 140 2HB LYS 23 HB1 LYS 23 4.082 1.303 1.303 141 1HG LYS 23 HG2 LYS 23 5.027 3.618 3.618 142 2HG LYS 23 HG1 LYS 23 6.521 2.823 2.823 143 1HD LYS 23 HD2 LYS 23 5.787 1.631 1.631 144 2HD LYS 23 HD1 LYS 23 5.548 3.364 3.364 145 1HE LYS 23 HE2 LYS 23 7.776 3.818 3.818 146 2HE LYS 23 HE1 LYS 23 8.036 2.624 2.624 147 1HZ LYS 23 HZ2 LYS 23 7.480 1.823 1.823 148 2HZ LYS 23 HZ1 LYS 23 9.059 2.162 2.162 149 3HZ LYS 23 HZ3 LYS 23 8.177 0.903 0.903 150 H PHE 24 HN PHE 24 1.931 0.585 0.585 151 HA PHE 24 HA PHE 24 3.074 -1.968 -1.968 152 1HB PHE 24 HB2 PHE 24 0.647 -1.554 -1.554 153 2HB PHE 24 HB1 PHE 24 2.270 -1.792 -1.792 154 HD1 PHE 24 HD2 PHE 24 3.838 0.348 0.348 155 HD2 PHE 24 HD1 PHE 24 -0.446 0.408 0.408 156 HE1 PHE 24 HE2 PHE 24 3.916 2.714 2.714 157 HE2 PHE 24 HE1 PHE 24 -0.368 2.776 2.776 158 HZ PHE 24 HZ PHE 24 1.823 3.917 3.917 159 H LYS 25 HN LYS 25 1.546 -3.774 -3.774 160 HA LYS 25 HA LYS 25 -0.521 -3.181 -3.181 161 1HB LYS 25 HB2 LYS 25 0.996 -5.771 -5.771 162 2HB LYS 25 HB1 LYS 25 -0.133 -5.435 -5.435 163 1HG LYS 25 HG2 LYS 25 1.602 -3.326 -3.326 164 2HG LYS 25 HG1 LYS 25 2.683 -4.614 -4.614 165 1HD LYS 25 HD2 LYS 25 0.705 -5.062 -5.062 166 2HD LYS 25 HD1 LYS 25 2.297 -4.366 -4.366 167 1HE LYS 25 HE2 LYS 25 3.131 -6.421 -6.421 168 2HE LYS 25 HE1 LYS 25 1.587 -7.119 -7.119 169 1HZ LYS 25 HZ3 LYS 25 3.250 -5.841 -5.841 170 2HZ LYS 25 HZ2 LYS 25 3.708 -7.377 -7.377 171 3HZ LYS 25 HZ1 LYS 25 2.179 -7.148 -7.148 172 H ILE 26 HN ILE 26 -2.602 -4.034 -4.034 173 HA ILE 26 HA ILE 26 -2.933 -5.275 -5.275 174 HB ILE 26 HB ILE 26 -5.114 -3.899 -3.899 175 1HG1 ILE 26 HG12 ILE 26 -3.150 -2.659 -2.659 176 2HG1 ILE 26 HG11 ILE 26 -3.207 -2.334 -2.334 177 1HG2 ILE 26 HG23 ILE 26 -4.601 -4.572 -4.572 178 2HG2 ILE 26 HG22 ILE 26 -5.922 -3.533 -3.533 179 3HG2 ILE 26 HG21 ILE 26 -5.864 -5.223 -5.223 180 1HD1 ILE 26 HD11 ILE 26 -5.625 -1.927 -1.927 181 2HD1 ILE 26 HD13 ILE 26 -4.416 -0.663 -0.663 182 3HD1 ILE 26 HD12 ILE 26 -5.315 -1.264 -1.264 183 H HIS 27 HN HIS 27 -4.524 -6.910 -6.910 184 HA HIS 27 HA HIS 27 -5.452 -8.231 -8.231 185 1HB HIS 27 HB2 HIS 27 -4.206 -9.836 -9.836 186 2HB HIS 27 HB1 HIS 27 -4.520 -10.327 -10.327 187 HD1 HIS 27 HD1 HIS 27 -2.530 -7.545 -7.545 188 HD2 HIS 27 HD2 HIS 27 -2.197 -10.226 -10.226 189 HE1 HIS 27 HE1 HIS 27 -0.280 -7.118 -7.118 190 H ALA 28 HN ALA 28 -7.579 -8.556 -8.556 191 HA ALA 28 HA ALA 28 -8.728 -8.804 -8.804 192 1HB ALA 28 HB1 ALA 28 -9.571 -7.545 -7.545 193 2HB ALA 28 HB3 ALA 28 -10.792 -8.695 -8.695 194 3HB ALA 28 HB2 ALA 28 -10.267 -7.392 -7.392 195 H VAL 29 HN VAL 29 -10.125 -10.597 -10.597 196 HA VAL 29 HA VAL 29 -10.223 -12.770 -12.770 197 HB VAL 29 HB VAL 29 -9.231 -12.941 -12.941 198 1HG1 VAL 29 HG11 VAL 29 -10.914 -14.876 -14.876 199 2HG1 VAL 29 HG13 VAL 29 -9.385 -15.556 -15.556 200 3HG1 VAL 29 HG12 VAL 29 -10.492 -14.813 -14.813 201 1HG2 VAL 29 HG23 VAL 29 -8.291 -13.836 -13.836 202 2HG2 VAL 29 HG22 VAL 29 -7.491 -12.732 -12.732 203 3HG2 VAL 29 HG21 VAL 29 -7.570 -14.456 -14.456 204 H ASP 30 HN ASP 30 -12.236 -13.525 -13.525 205 HA ASP 30 HA ASP 30 -14.275 -12.927 -12.927 206 1HB ASP 30 HB2 ASP 30 -14.181 -12.178 -12.178 207 2HB ASP 30 HB1 ASP 30 -15.320 -13.509 -13.509 208 HA PRO 31 HA PRO 31 -15.248 -17.216 -17.216 209 1HB PRO 31 HB2 PRO 31 -17.902 -17.512 -17.512 210 2HB PRO 31 HB1 PRO 31 -17.323 -16.797 -16.797 211 1HG PRO 31 HG2 PRO 31 -18.541 -15.456 -15.456 212 2HG PRO 31 HG1 PRO 31 -18.455 -14.908 -14.908 213 1HD PRO 31 HD2 PRO 31 -16.816 -14.045 -14.045 214 2HD PRO 31 HD1 PRO 31 -16.605 -13.634 -13.634 215 H ASP 32 HN ASP 32 -14.329 -16.454 -16.454 216 HA ASP 32 HA ASP 32 -15.373 -18.936 -18.936 217 1HB ASP 32 HB2 ASP 32 -15.146 -17.491 -17.491 218 2HB ASP 32 HB1 ASP 32 -16.625 -17.431 -17.431 219 H GLY 33 HN GLY 33 -12.744 -17.775 -17.775 220 1HA GLY 33 HA2 GLY 33 -10.453 -18.201 -18.201 221 2HA GLY 33 HA1 GLY 33 -10.921 -19.223 -19.223 222 H VAL 34 HN VAL 34 -11.936 -15.925 -15.925 223 HA VAL 34 HA VAL 34 -10.081 -14.954 -14.954 224 HB VAL 34 HB VAL 34 -12.953 -14.226 -14.226 225 1HG1 VAL 34 HG13 VAL 34 -10.838 -13.585 -13.585 226 2HG1 VAL 34 HG12 VAL 34 -11.036 -15.192 -15.192 227 3HG1 VAL 34 HG11 VAL 34 -12.332 -14.003 -14.003 228 1HG2 VAL 34 HG23 VAL 34 -11.860 -17.000 -17.000 229 2HG2 VAL 34 HG22 VAL 34 -13.354 -16.540 -16.540 230 3HG2 VAL 34 HG21 VAL 34 -13.212 -16.354 -16.354 231 H HIS 35 HN HIS 35 -10.473 -12.494 -12.494 232 HA HIS 35 HA HIS 35 -10.730 -11.337 -11.337 233 1HB HIS 35 HB2 HIS 35 -10.296 -9.743 -9.743 234 2HB HIS 35 HB1 HIS 35 -9.716 -9.405 -9.405 235 HD1 HIS 35 HD1 HIS 35 -7.401 -10.205 -10.205 236 HD2 HIS 35 HD2 HIS 35 -8.933 -12.095 -12.095 237 HE1 HIS 35 HE1 HIS 35 -5.524 -11.623 -11.623 238 H ARG 36 HN ARG 36 -13.054 -12.345 -12.345 239 HA ARG 36 HA ARG 36 -15.326 -11.888 -11.888 240 1HB ARG 36 HB2 ARG 36 -14.544 -9.812 -9.812 241 2HB ARG 36 HB1 ARG 36 -14.601 -8.963 -8.963 242 1HG ARG 36 HG2 ARG 36 -16.985 -9.961 -9.961 243 2HG ARG 36 HG1 ARG 36 -16.861 -10.242 -10.242 244 1HD ARG 36 HD2 ARG 36 -17.134 -8.044 -8.044 245 2HD ARG 36 HD1 ARG 36 -16.003 -7.549 -7.549 246 HE ARG 36 HE ARG 36 -18.141 -8.211 -8.211 247 1HH1 ARG 36 HH11 ARG 36 -18.998 -7.526 -7.526 248 2HH1 ARG 36 HH12 ARG 36 -19.901 -6.091 -6.091 249 1HH2 ARG 36 HH21 ARG 36 -18.834 -5.900 -5.900 250 2HH2 ARG 36 HH22 ARG 36 -19.808 -5.170 -5.170 251 H THR 37 HN THR 37 -14.673 -12.866 -12.866 252 HA THR 37 HA THR 37 -14.824 -12.774 -12.774 253 HB THR 37 HB THR 37 -16.914 -10.643 -10.643 254 HG1 THR 37 HG1 THR 37 -18.104 -12.000 -12.000 255 1HG2 THR 37 HG22 THR 37 -16.398 -12.867 -12.867 256 2HG2 THR 37 HG21 THR 37 -18.031 -12.240 -12.240 257 3HG2 THR 37 HG23 THR 37 -16.740 -11.167 -11.167 258 H ASP 38 HN ASP 38 -12.754 -11.742 -11.742 259 HA ASP 38 HA ASP 38 -11.929 -9.155 -9.155 260 1HB ASP 38 HB2 ASP 38 -11.010 -11.251 -11.251 261 2HB ASP 38 HB1 ASP 38 -11.503 -10.155 -10.155 262 H GLY 39 HN GLY 39 -12.147 -7.168 -7.168 263 1HA GLY 39 HA2 GLY 39 -13.108 -5.743 -5.743 264 2HA GLY 39 HA1 GLY 39 -14.214 -7.043 -7.043 265 H GLY 40 HN GLY 40 -15.189 -7.615 -7.615 266 1HA GLY 40 HA2 GLY 40 -16.725 -5.093 -5.093 267 2HA GLY 40 HA1 GLY 40 -17.394 -6.706 -6.706 268 H ASP 41 HN ASP 41 -14.383 -5.089 -5.089 269 HA ASP 41 HA ASP 41 -15.038 -6.106 -6.106 270 1HB ASP 41 HB2 ASP 41 -12.362 -5.118 -5.118 271 2HB ASP 41 HB1 ASP 41 -12.659 -5.936 -5.936 272 H GLY 42 HN GLY 42 -16.041 -4.509 -4.509 273 1HA GLY 42 HA2 GLY 42 -15.838 -1.705 -1.705 274 2HA GLY 42 HA1 GLY 42 -16.446 -2.379 -2.379 275 H PHE 43 HN PHE 43 -13.432 -1.699 -1.699 276 HA PHE 43 HA PHE 43 -11.996 -1.722 -1.722 277 1HB PHE 43 HB2 PHE 43 -11.367 -2.831 -2.831 278 2HB PHE 43 HB1 PHE 43 -10.364 -1.383 -1.383 279 HD1 PHE 43 HD2 PHE 43 -9.091 -0.972 -0.972 280 HD2 PHE 43 HD1 PHE 43 -10.683 -4.767 -4.767 281 HE1 PHE 43 HE2 PHE 43 -7.550 -2.122 -2.122 282 HE2 PHE 43 HE1 PHE 43 -9.141 -5.916 -5.916 283 HZ PHE 43 HZ PHE 43 -7.581 -4.597 -4.597 284 H VAL 44 HN VAL 44 -11.467 0.157 0.157 285 HA VAL 44 HA VAL 44 -10.873 2.471 2.471 286 HB VAL 44 HB VAL 44 -12.927 3.282 3.282 287 1HG1 VAL 44 HG12 VAL 44 -12.675 1.186 1.186 288 2HG1 VAL 44 HG11 VAL 44 -13.444 2.640 2.640 289 3HG1 VAL 44 HG13 VAL 44 -14.119 1.828 1.828 290 1HG2 VAL 44 HG21 VAL 44 -10.909 4.521 4.521 291 2HG2 VAL 44 HG23 VAL 44 -12.579 4.965 4.965 292 3HG2 VAL 44 HG22 VAL 44 -11.701 3.904 3.904 293 H VAL 45 HN VAL 45 -8.762 2.842 2.842 294 HA VAL 45 HA VAL 45 -7.841 2.662 2.662 295 HB VAL 45 HB VAL 45 -6.222 2.087 2.087 296 1HG1 VAL 45 HG13 VAL 45 -5.587 1.886 1.886 297 2HG1 VAL 45 HG12 VAL 45 -4.552 1.263 1.263 298 3HG1 VAL 45 HG11 VAL 45 -4.854 2.997 2.997 299 1HG2 VAL 45 HG22 VAL 45 -8.078 0.457 0.457 300 2HG2 VAL 45 HG21 VAL 45 -6.945 -0.040 -0.040 301 3HG2 VAL 45 HG23 VAL 45 -6.471 -0.115 -0.115 302 H THR 46 HN THR 46 -6.331 4.279 4.279 303 HA THR 46 HA THR 46 -5.597 6.347 6.347 304 HB THR 46 HB THR 46 -6.916 7.827 7.827 305 HG1 THR 46 HG1 THR 46 -9.049 7.031 7.031 306 1HG2 THR 46 HG21 THR 46 -6.480 8.117 8.117 307 2HG2 THR 46 HG23 THR 46 -8.097 7.420 7.420 308 3HG2 THR 46 HG22 THR 46 -7.844 8.916 8.916 309 H ILE 47 HN ILE 47 -3.800 7.328 7.328 310 HA ILE 47 HA ILE 47 -2.989 7.186 7.186 311 HB ILE 47 HB ILE 47 -1.380 6.682 6.682 312 1HG1 ILE 47 HG12 ILE 47 -2.013 5.284 5.284 313 2HG1 ILE 47 HG11 ILE 47 -1.687 4.613 4.613 314 1HG2 ILE 47 HG23 ILE 47 -0.308 7.721 7.721 315 2HG2 ILE 47 HG22 ILE 47 0.687 7.087 7.087 316 3HG2 ILE 47 HG21 ILE 47 -0.243 8.556 8.556 317 1HD1 ILE 47 HD12 ILE 47 0.747 5.394 5.394 318 2HD1 ILE 47 HD11 ILE 47 0.299 5.554 5.554 319 3HD1 ILE 47 HD13 ILE 47 0.209 3.981 3.981 320 H GLU 48 HN GLU 48 -1.670 9.022 9.022 321 HA GLU 48 HA GLU 48 -1.205 11.170 11.170 322 1HB GLU 48 HB2 GLU 48 -2.810 12.725 12.725 323 2HB GLU 48 HB1 GLU 48 -3.376 11.926 11.926 324 1HG GLU 48 HG2 GLU 48 -4.747 10.539 10.539 325 2HG GLU 48 HG1 GLU 48 -3.523 10.212 10.212 326 H GLY 49 HN GLY 49 -0.060 12.883 12.883 327 1HA GLY 49 HA2 GLY 49 0.561 12.929 12.929 328 2HA GLY 49 HA1 GLY 49 1.910 12.502 12.502 329 HA PRO 50 HA PRO 50 1.601 17.121 17.121 330 1HB PRO 50 HB2 PRO 50 4.190 17.530 17.530 331 2HB PRO 50 HB1 PRO 50 2.822 17.333 17.333 332 1HG PRO 50 HG2 PRO 50 4.981 15.388 15.388 333 2HG PRO 50 HG1 PRO 50 4.028 15.528 15.528 334 1HD PRO 50 HD2 PRO 50 3.607 13.629 13.629 335 2HD PRO 50 HD1 PRO 50 2.460 14.027 14.027 336 H ALA 51 HN ALA 51 1.584 16.339 16.339 337 HA ALA 51 HA ALA 51 3.914 17.524 17.524 338 1HB ALA 51 HB3 ALA 51 3.863 14.700 14.700 339 2HB ALA 51 HB2 ALA 51 3.648 14.983 14.983 340 3HB ALA 51 HB1 ALA 51 5.057 15.640 15.640 341 HA PRO 52 HA PRO 52 1.062 18.116 18.116 342 1HB PRO 52 HB2 PRO 52 2.544 17.581 17.581 343 2HB PRO 52 HB1 PRO 52 2.761 19.033 19.033 344 1HG PRO 52 HG2 PRO 52 4.485 16.607 16.607 345 2HG PRO 52 HG1 PRO 52 4.924 18.265 18.265 346 1HD PRO 52 HD2 PRO 52 4.532 16.117 16.117 347 2HD PRO 52 HD1 PRO 52 4.645 17.835 17.835 348 H VAL 53 HN VAL 53 2.922 15.120 15.120 349 HA VAL 53 HA VAL 53 0.593 13.896 13.896 350 HB VAL 53 HB VAL 53 2.212 11.904 11.904 351 1HG1 VAL 53 HG13 VAL 53 2.402 14.538 14.538 352 2HG1 VAL 53 HG12 VAL 53 3.822 13.506 13.506 353 3HG1 VAL 53 HG11 VAL 53 2.238 12.929 12.929 354 1HG2 VAL 53 HG23 VAL 53 3.571 12.929 12.929 355 2HG2 VAL 53 HG22 VAL 53 4.473 12.220 12.220 356 3HG2 VAL 53 HG21 VAL 53 4.288 13.971 13.971 357 H ASP 54 HN ASP 54 -0.653 14.132 14.132 358 HA ASP 54 HA ASP 54 0.219 12.285 12.285 359 1HB ASP 54 HB2 ASP 54 -1.876 14.415 14.415 360 2HB ASP 54 HB1 ASP 54 -1.985 13.228 13.228 361 HA PRO 55 HA PRO 55 -3.860 10.050 10.050 362 1HB PRO 55 HB2 PRO 55 -5.559 11.103 11.103 363 2HB PRO 55 HB1 PRO 55 -5.636 11.513 11.513 364 1HG PRO 55 HG2 PRO 55 -4.545 13.125 13.125 365 2HG PRO 55 HG1 PRO 55 -5.303 13.674 13.674 366 1HD PRO 55 HD2 PRO 55 -2.543 13.674 13.674 367 2HD PRO 55 HD1 PRO 55 -3.313 13.739 13.739 368 H VAL 56 HN VAL 56 -2.694 8.404 8.404 369 HA VAL 56 HA VAL 56 -2.757 8.590 8.590 370 HB VAL 56 HB VAL 56 -0.472 7.379 7.379 371 1HG1 VAL 56 HG12 VAL 56 -1.143 8.155 8.155 372 2HG1 VAL 56 HG11 VAL 56 0.535 8.363 8.363 373 3HG1 VAL 56 HG13 VAL 56 -0.222 6.772 6.772 374 1HG2 VAL 56 HG21 VAL 56 -1.046 10.272 10.272 375 2HG2 VAL 56 HG23 VAL 56 -0.240 9.544 9.544 376 3HG2 VAL 56 HG22 VAL 56 0.618 9.704 9.704 377 H MET 57 HN MET 57 -4.467 7.005 7.005 378 HA MET 57 HA MET 57 -3.478 4.287 4.287 379 1HB MET 57 HB2 MET 57 -5.444 3.617 3.617 380 2HB MET 57 HB1 MET 57 -4.946 5.143 5.143 381 1HG MET 57 HG2 MET 57 -6.839 5.293 5.293 382 2HG MET 57 HG1 MET 57 -7.475 4.693 4.693 383 1HE MET 57 HE3 MET 57 -8.503 6.722 6.722 384 2HE MET 57 HE2 MET 57 -9.032 7.726 7.726 385 3HE MET 57 HE1 MET 57 -7.961 8.401 8.401 386 H VAL 58 HN VAL 58 -4.064 2.731 2.731 387 HA VAL 58 HA VAL 58 -6.038 3.508 3.508 388 HB VAL 58 HB VAL 58 -3.717 1.940 1.940 389 1HG1 VAL 58 HG13 VAL 58 -5.794 3.641 3.641 390 2HG1 VAL 58 HG12 VAL 58 -4.227 4.268 4.268 391 3HG1 VAL 58 HG11 VAL 58 -4.677 2.606 2.606 392 1HG2 VAL 58 HG23 VAL 58 -2.704 3.680 3.680 393 2HG2 VAL 58 HG22 VAL 58 -2.191 3.807 3.807 394 3HG2 VAL 58 HG21 VAL 58 -3.406 4.915 4.915 395 H ASP 59 HN ASP 59 -6.928 1.648 1.648 396 HA ASP 59 HA ASP 59 -6.685 -0.905 -0.905 397 1HB ASP 59 HB2 ASP 59 -8.906 -0.134 -0.134 398 2HB ASP 59 HB1 ASP 59 -9.053 0.407 0.407 399 H ASN 60 HN ASN 60 -5.839 -2.570 -2.570 400 HA ASN 60 HA ASN 60 -5.475 -2.184 -2.184 401 1HB ASN 60 HB2 ASN 60 -4.114 -3.616 -3.616 402 2HB ASN 60 HB1 ASN 60 -4.521 -4.731 -4.731 403 1HD2 ASN 60 HD22 ASN 60 -1.593 -2.005 -2.005 404 2HD2 ASN 60 HD21 ASN 60 -2.368 -2.198 -2.198 405 H GLY 61 HN GLY 61 -7.822 -3.645 -3.645 406 1HA GLY 61 HA2 GLY 61 -9.720 -4.847 -4.847 407 2HA GLY 61 HA1 GLY 61 -9.108 -4.780 -4.780 408 H ASP 62 HN ASP 62 -6.716 -5.945 -5.945 409 HA ASP 62 HA ASP 62 -7.268 -8.716 -8.716 410 1HB ASP 62 HB2 ASP 62 -4.840 -9.052 -9.052 411 2HB ASP 62 HB1 ASP 62 -5.077 -8.070 -8.070 412 H GLY 63 HN GLY 63 -8.600 -7.396 -7.396 413 1HA GLY 63 HA2 GLY 63 -9.349 -8.219 -8.219 414 2HA GLY 63 HA1 GLY 63 -8.293 -9.610 -9.610 415 H THR 64 HN THR 64 -6.438 -6.939 -6.939 416 HA THR 64 HA THR 64 -5.693 -6.626 -6.626 417 HB THR 64 HB THR 64 -3.287 -6.553 -6.553 418 HG1 THR 64 HG1 THR 64 -3.702 -6.388 -6.388 419 1HG2 THR 64 HG23 THR 64 -4.917 -9.098 -9.098 420 2HG2 THR 64 HG22 THR 64 -3.154 -9.082 -9.082 421 3HG2 THR 64 HG21 THR 64 -4.015 -8.456 -8.456 422 H TYR 65 HN TYR 65 -4.840 -4.539 -4.539 423 HA TYR 65 HA TYR 65 -5.122 -2.574 -2.574 424 1HB TYR 65 HB2 TYR 65 -5.773 -2.254 -2.254 425 2HB TYR 65 HB1 TYR 65 -5.822 -0.940 -0.940 426 HD1 TYR 65 HD2 TYR 65 -7.031 -4.467 -4.467 427 HD2 TYR 65 HD1 TYR 65 -7.814 -0.548 -0.548 428 HE1 TYR 65 HE2 TYR 65 -9.234 -5.231 -5.231 429 HE2 TYR 65 HE1 TYR 65 -10.013 -1.309 -1.309 430 HH TYR 65 HH TYR 65 -11.625 -3.010 -3.010 431 H ASP 66 HN ASP 66 -3.685 -0.744 -0.744 432 HA ASP 66 HA ASP 66 -1.242 -1.204 -1.204 433 1HB ASP 66 HB2 ASP 66 -1.066 0.079 0.079 434 2HB ASP 66 HB1 ASP 66 0.148 -0.858 -0.858 435 H VAL 67 HN VAL 67 -0.708 0.543 0.543 436 HA VAL 67 HA VAL 67 -1.801 3.173 3.173 437 HB VAL 67 HB VAL 67 -2.362 3.688 3.688 438 1HG1 VAL 67 HG11 VAL 67 -3.369 1.394 1.394 439 2HG1 VAL 67 HG13 VAL 67 -2.918 0.843 0.843 440 3HG1 VAL 67 HG12 VAL 67 -4.046 2.184 2.184 441 1HG2 VAL 67 HG22 VAL 67 -0.437 1.506 1.506 442 2HG2 VAL 67 HG21 VAL 67 -0.471 3.173 3.173 443 3HG2 VAL 67 HG23 VAL 67 -1.659 2.013 2.013 444 H GLU 68 HN GLU 68 -0.307 5.004 5.004 445 HA GLU 68 HA GLU 68 2.360 4.367 4.367 446 1HB GLU 68 HB2 GLU 68 2.330 5.449 5.449 447 2HB GLU 68 HB1 GLU 68 3.575 4.502 4.502 448 1HG GLU 68 HG2 GLU 68 2.110 2.502 2.502 449 2HG GLU 68 HG1 GLU 68 0.874 3.460 3.460 450 H PHE 69 HN PHE 69 3.091 6.140 6.140 451 HA PHE 69 HA PHE 69 2.535 8.802 8.802 452 1HB PHE 69 HB2 PHE 69 2.096 9.856 9.856 453 2HB PHE 69 HB1 PHE 69 0.992 8.494 8.494 454 HD1 PHE 69 HD2 PHE 69 2.103 6.181 6.181 455 HD2 PHE 69 HD1 PHE 69 3.170 10.143 10.143 456 HE1 PHE 69 HE2 PHE 69 2.993 5.280 5.280 457 HE2 PHE 69 HE1 PHE 69 4.058 9.237 9.237 458 HZ PHE 69 HZ PHE 69 3.947 6.783 6.783 459 H GLU 70 HN GLU 70 4.270 10.397 10.397 460 HA GLU 70 HA GLU 70 6.689 9.277 9.277 461 1HB GLU 70 HB2 GLU 70 7.000 8.501 8.501 462 2HB GLU 70 HB1 GLU 70 6.538 10.065 10.065 463 1HG GLU 70 HG2 GLU 70 8.547 11.080 11.080 464 2HG GLU 70 HG1 GLU 70 8.867 9.885 9.885 465 HA PRO 71 HA PRO 71 6.355 13.754 13.754 466 1HB PRO 71 HB2 PRO 71 7.229 13.511 13.511 467 2HB PRO 71 HB1 PRO 71 5.542 13.281 13.281 468 1HG PRO 71 HG2 PRO 71 7.562 11.232 11.232 469 2HG PRO 71 HG1 PRO 71 5.796 11.159 11.159 470 1HD PRO 71 HD2 PRO 71 7.416 9.939 9.939 471 2HD PRO 71 HD1 PRO 71 5.649 10.114 10.114 472 H LYS 72 HN LYS 72 8.151 15.177 15.177 473 HA LYS 72 HA LYS 72 10.905 14.161 14.161 474 1HB LYS 72 HB2 LYS 72 11.291 16.597 16.597 475 2HB LYS 72 HB1 LYS 72 10.659 15.344 15.344 476 1HG LYS 72 HG2 LYS 72 8.445 16.168 16.168 477 2HG LYS 72 HG1 LYS 72 8.805 17.105 17.105 478 1HD LYS 72 HD2 LYS 72 10.408 17.779 17.779 479 2HD LYS 72 HD1 LYS 72 8.697 18.202 18.202 480 1HE LYS 72 HE2 LYS 72 9.491 18.967 18.967 481 2HE LYS 72 HE1 LYS 72 10.838 19.444 19.444 482 1HZ LYS 72 HZ1 LYS 72 8.756 20.218 20.218 483 2HZ LYS 72 HZ3 LYS 72 8.122 20.449 20.449 484 3HZ LYS 72 HZ2 LYS 72 9.560 21.231 21.231 485 H GLU 73 HN GLU 73 9.432 14.766 14.766 486 HA GLU 73 HA GLU 73 11.509 16.494 16.494 487 1HB GLU 73 HB2 GLU 73 9.911 18.041 18.041 488 2HB GLU 73 HB1 GLU 73 9.717 18.077 18.077 489 1HG GLU 73 HG2 GLU 73 7.664 17.044 17.044 490 2HG GLU 73 HG1 GLU 73 8.066 16.097 16.097 491 H ALA 74 HN ALA 74 10.271 16.808 16.808 492 HA ALA 74 HA ALA 74 10.287 14.009 14.009 493 1HB ALA 74 HB1 ALA 74 10.219 16.641 16.641 494 2HB ALA 74 HB3 ALA 74 10.357 15.044 15.044 495 3HB ALA 74 HB2 ALA 74 11.654 15.657 15.657 496 H GLY 75 HN GLY 75 8.329 12.998 12.998 497 1HA GLY 75 HA2 GLY 75 5.972 14.444 14.444 498 2HA GLY 75 HA1 GLY 75 5.896 14.000 14.000 499 H ASP 76 HN ASP 76 4.070 13.014 13.014 500 HA ASP 76 HA ASP 76 4.884 10.151 10.151 501 1HB ASP 76 HB2 ASP 76 3.057 10.025 10.025 502 2HB ASP 76 HB1 ASP 76 4.260 11.234 11.234 503 H TYR 77 HN TYR 77 3.212 8.587 8.587 504 HA TYR 77 HA TYR 77 1.482 9.627 9.627 505 1HB TYR 77 HB2 TYR 77 2.164 6.731 6.731 506 2HB TYR 77 HB1 TYR 77 1.699 7.587 7.587 507 HD1 TYR 77 HD1 TYR 77 3.508 9.977 9.977 508 HD2 TYR 77 HD2 TYR 77 4.191 5.768 5.768 509 HE1 TYR 77 HE1 TYR 77 5.872 10.297 10.297 510 HE2 TYR 77 HE2 TYR 77 6.553 6.073 6.073 511 HH TYR 77 HH TYR 77 7.958 9.271 9.271 512 H VAL 78 HN VAL 78 -0.616 9.252 9.252 513 HA VAL 78 HA VAL 78 -1.711 7.572 7.572 514 HB VAL 78 HB VAL 78 -2.600 9.719 9.719 515 1HG1 VAL 78 HG12 VAL 78 -2.689 9.858 9.858 516 2HG1 VAL 78 HG11 VAL 78 -3.597 10.995 10.995 517 3HG1 VAL 78 HG13 VAL 78 -1.839 10.922 10.922 518 1HG2 VAL 78 HG23 VAL 78 -4.298 7.838 7.838 519 2HG2 VAL 78 HG22 VAL 78 -4.929 9.480 9.480 520 3HG2 VAL 78 HG21 VAL 78 -4.629 8.533 8.533 521 H ILE 79 HN ILE 79 -2.803 5.801 5.801 522 HA ILE 79 HA ILE 79 -3.138 5.516 5.516 523 HB ILE 79 HB ILE 79 -3.381 2.997 2.997 524 1HG1 ILE 79 HG12 ILE 79 -2.102 4.094 4.094 525 2HG1 ILE 79 HG11 ILE 79 -1.173 2.825 2.825 526 1HG2 ILE 79 HG21 ILE 79 -2.593 3.609 3.609 527 2HG2 ILE 79 HG23 ILE 79 -1.043 4.014 4.014 528 3HG2 ILE 79 HG22 ILE 79 -1.662 2.365 2.365 529 1HD1 ILE 79 HD12 ILE 79 -0.698 5.219 5.219 530 2HD1 ILE 79 HD11 ILE 79 -0.527 5.612 5.612 531 3HD1 ILE 79 HD13 ILE 79 0.443 4.321 4.321 532 H ASN 80 HN ASN 80 -4.828 4.295 4.295 533 HA ASN 80 HA ASN 80 -7.193 3.796 3.796 534 1HB ASN 80 HB2 ASN 80 -7.512 5.601 5.601 535 2HB ASN 80 HB1 ASN 80 -8.621 5.330 5.330 536 1HD2 ASN 80 HD22 ASN 80 -7.256 7.876 7.876 537 2HD2 ASN 80 HD21 ASN 80 -8.474 6.710 6.710 538 H LEU 81 HN LEU 81 -7.666 1.784 1.784 539 HA LEU 81 HA LEU 81 -7.930 1.304 1.304 540 1HB LEU 81 HB2 LEU 81 -6.283 -0.241 -0.241 541 2HB LEU 81 HB1 LEU 81 -5.747 0.291 0.291 542 HG LEU 81 HG LEU 81 -7.420 -1.360 -1.360 543 1HD1 LEU 81 HD11 LEU 81 -8.296 -1.501 -1.501 544 2HD1 LEU 81 HD13 LEU 81 -7.262 -2.926 -2.926 545 3HD1 LEU 81 HD12 LEU 81 -8.609 -2.733 -2.733 546 1HD2 LEU 81 HD22 LEU 81 -4.860 -1.864 -1.864 547 2HD2 LEU 81 HD21 LEU 81 -5.395 -2.328 -2.328 548 3HD2 LEU 81 HD23 LEU 81 -5.835 -3.314 -3.314 549 H THR 82 HN THR 82 -9.883 0.436 0.436 550 HA THR 82 HA THR 82 -11.185 -1.121 -1.121 551 HB THR 82 HB THR 82 -13.284 0.227 0.227 552 HG1 THR 82 HG1 THR 82 -11.510 1.297 1.297 553 1HG2 THR 82 HG21 THR 82 -10.839 1.316 1.316 554 2HG2 THR 82 HG23 THR 82 -12.273 2.333 2.333 555 3HG2 THR 82 HG22 THR 82 -12.362 0.797 0.797 556 H LEU 83 HN LEU 83 -12.363 -2.843 -2.843 557 HA LEU 83 HA LEU 83 -13.112 -2.938 -2.938 558 1HB LEU 83 HB2 LEU 83 -10.984 -4.248 -4.248 559 2HB LEU 83 HB1 LEU 83 -11.916 -5.313 -5.313 560 HG LEU 83 HG LEU 83 -11.564 -5.962 -5.962 561 1HD1 LEU 83 HD11 LEU 83 -13.200 -6.881 -6.881 562 2HD1 LEU 83 HD13 LEU 83 -14.432 -6.088 -6.088 563 3HD1 LEU 83 HD12 LEU 83 -13.420 -7.350 -7.350 564 1HD2 LEU 83 HD22 LEU 83 -12.477 -3.644 -3.644 565 2HD2 LEU 83 HD21 LEU 83 -13.135 -5.045 -5.045 566 3HD2 LEU 83 HD23 LEU 83 -14.066 -4.271 -4.271 567 H ASP 84 HN ASP 84 -15.179 -2.338 -2.338 568 HA ASP 84 HA ASP 84 -17.274 -3.882 -3.882 569 1HB ASP 84 HB2 ASP 84 -15.723 -4.958 -4.958 570 2HB ASP 84 HB1 ASP 84 -17.487 -4.992 -4.992 571 H GLY 85 HN GLY 85 -15.504 -1.740 -1.740 572 1HA GLY 85 HA2 GLY 85 -16.919 0.380 0.380 573 2HA GLY 85 HA1 GLY 85 -18.023 -0.727 -0.727 574 H ASP 86 HN ASP 86 -15.011 -2.007 -2.007 575 HA ASP 86 HA ASP 86 -14.625 -0.341 -0.341 576 1HB ASP 86 HB2 ASP 86 -13.817 -2.500 -2.500 577 2HB ASP 86 HB1 ASP 86 -15.547 -2.451 -2.451 578 H ASN 87 HN ASN 87 -12.240 -0.511 -0.511 579 HA ASN 87 HA ASN 87 -10.538 -0.735 -0.735 580 1HB ASN 87 HB2 ASN 87 -9.489 0.563 0.563 581 2HB ASN 87 HB1 ASN 87 -9.260 1.014 1.014 582 1HD2 ASN 87 HD22 ASN 87 -11.733 3.498 3.498 583 2HD2 ASN 87 HD21 ASN 87 -10.273 2.966 2.966 584 H VAL 88 HN VAL 88 -8.380 -1.647 -1.647 585 HA VAL 88 HA VAL 88 -8.498 -4.108 -4.108 586 HB VAL 88 HB VAL 88 -6.136 -2.641 -2.641 587 1HG1 VAL 88 HG12 VAL 88 -6.389 -5.408 -5.408 588 2HG1 VAL 88 HG11 VAL 88 -5.110 -4.983 -4.983 589 3HG1 VAL 88 HG13 VAL 88 -5.221 -4.152 -4.152 590 1HG2 VAL 88 HG22 VAL 88 -7.973 -4.856 -4.856 591 2HG2 VAL 88 HG21 VAL 88 -7.732 -3.279 -3.279 592 3HG2 VAL 88 HG23 VAL 88 -6.445 -4.481 -4.481 593 H ASN 89 HN ASN 89 -6.727 -4.679 -4.679 594 HA ASN 89 HA ASN 89 -7.013 -2.692 -2.692 595 1HB ASN 89 HB2 ASN 89 -6.049 -4.391 -4.391 596 2HB ASN 89 HB1 ASN 89 -7.281 -5.123 -5.123 597 1HD2 ASN 89 HD21 ASN 89 -5.815 -7.109 -7.109 598 2HD2 ASN 89 HD22 ASN 89 -4.545 -7.490 -7.490 599 H GLY 90 HN GLY 90 -5.187 -2.034 -2.034 600 1HA GLY 90 HA2 GLY 90 -2.910 -1.206 -1.206 601 2HA GLY 90 HA1 GLY 90 -2.509 -2.175 -2.175 602 H PHE 91 HN PHE 91 -5.240 -0.088 -0.088 603 HA PHE 91 HA PHE 91 -3.600 1.713 1.713 604 1HB PHE 91 HB2 PHE 91 -6.221 0.435 0.435 605 2HB PHE 91 HB1 PHE 91 -6.034 2.082 2.082 606 HD1 PHE 91 HD1 PHE 91 -4.443 -1.268 -1.268 607 HD2 PHE 91 HD2 PHE 91 -4.720 2.509 2.509 608 HE1 PHE 91 HE1 PHE 91 -2.987 -2.101 -2.101 609 HE2 PHE 91 HE2 PHE 91 -3.283 1.694 1.694 610 HZ PHE 91 HZ PHE 91 -2.431 -0.646 -0.646 611 HA PRO 92 HA PRO 92 -6.611 4.677 4.677 612 1HB PRO 92 HB2 PRO 92 -7.671 3.882 3.882 613 2HB PRO 92 HB1 PRO 92 -8.523 3.733 3.733 614 1HG PRO 92 HG2 PRO 92 -7.211 1.613 1.613 615 2HG PRO 92 HG1 PRO 92 -8.548 1.476 1.476 616 1HD PRO 92 HD2 PRO 92 -5.867 0.772 0.772 617 2HD PRO 92 HD1 PRO 92 -7.123 0.970 0.970 618 H LYS 93 HN LYS 93 -3.958 3.102 3.102 619 HA LYS 93 HA LYS 93 -3.278 4.593 4.593 620 1HB LYS 93 HB2 LYS 93 -2.826 2.057 2.057 621 2HB LYS 93 HB1 LYS 93 -1.558 2.571 2.571 622 1HG LYS 93 HG2 LYS 93 -0.229 3.392 3.392 623 2HG LYS 93 HG1 LYS 93 -1.604 3.937 3.937 624 1HD LYS 93 HD2 LYS 93 -1.997 1.269 1.269 625 2HD LYS 93 HD1 LYS 93 -0.241 1.295 1.295 626 1HE LYS 93 HE2 LYS 93 -1.915 2.637 2.637 627 2HE LYS 93 HE1 LYS 93 -0.667 1.408 1.408 628 1HZ LYS 93 HZ1 LYS 93 0.932 3.042 3.042 629 2HZ LYS 93 HZ3 LYS 93 -0.292 4.214 4.214 630 3HZ LYS 93 HZ2 LYS 93 0.269 3.503 3.503 631 H THR 94 HN THR 94 -0.842 5.313 5.313 632 HA THR 94 HA THR 94 -0.462 6.581 6.581 633 HB THR 94 HB THR 94 0.023 7.925 7.925 634 HG1 THR 94 HG1 THR 94 -2.215 7.502 7.502 635 1HG2 THR 94 HG21 THR 94 1.291 8.548 8.548 636 2HG2 THR 94 HG23 THR 94 -0.253 9.234 9.234 637 3HG2 THR 94 HG22 THR 94 0.547 9.839 9.839 638 H VAL 95 HN VAL 95 1.538 6.394 6.394 639 HA VAL 95 HA VAL 95 3.566 5.212 5.212 640 HB VAL 95 HB VAL 95 3.253 5.223 5.223 641 1HG1 VAL 95 HG12 VAL 95 5.598 6.009 6.009 642 2HG1 VAL 95 HG11 VAL 95 5.818 4.471 4.471 643 3HG1 VAL 95 HG13 VAL 95 5.510 4.496 4.496 644 1HG2 VAL 95 HG22 VAL 95 3.149 3.348 3.348 645 2HG2 VAL 95 HG21 VAL 95 2.654 3.119 3.119 646 3HG2 VAL 95 HG23 VAL 95 4.330 2.835 2.835 647 H THR 96 HN THR 96 5.758 6.212 6.212 648 HA THR 96 HA THR 96 5.521 9.124 9.124 649 HB THR 96 HB THR 96 7.088 7.844 7.844 650 HG1 THR 96 HG1 THR 96 5.329 8.011 8.011 651 1HG2 THR 96 HG23 THR 96 6.427 10.713 10.713 652 2HG2 THR 96 HG22 THR 96 7.128 10.215 10.215 653 3HG2 THR 96 HG21 THR 96 8.029 9.975 9.975 654 H VAL 97 HN VAL 97 7.253 10.267 10.267 655 HA VAL 97 HA VAL 97 9.811 8.905 8.905 656 HB VAL 97 HB VAL 97 7.951 10.182 10.182 657 1HG1 VAL 97 HG11 VAL 97 10.972 10.202 10.202 658 2HG1 VAL 97 HG13 VAL 97 9.960 10.408 10.408 659 3HG1 VAL 97 HG12 VAL 97 9.891 11.592 11.592 660 1HG2 VAL 97 HG22 VAL 97 9.530 7.713 7.713 661 2HG2 VAL 97 HG21 VAL 97 7.995 7.945 7.945 662 3HG2 VAL 97 HG23 VAL 97 9.501 8.364 8.364 663 H LYS 98 HN LYS 98 11.493 10.249 10.249 664 HA LYS 98 HA LYS 98 10.767 13.105 13.105 665 1HB LYS 98 HB2 LYS 98 11.790 11.115 11.115 666 2HB LYS 98 HB1 LYS 98 12.940 12.446 12.446 667 1HG LYS 98 HG2 LYS 98 10.158 13.354 13.354 668 2HG LYS 98 HG1 LYS 98 10.671 12.445 12.445 669 1HD LYS 98 HD2 LYS 98 12.831 13.955 13.955 670 2HD LYS 98 HD1 LYS 98 11.747 15.023 15.023 671 1HE LYS 98 HE2 LYS 98 10.647 13.931 13.931 672 2HE LYS 98 HE1 LYS 98 11.998 15.048 15.048 673 1HZ LYS 98 HZ1 LYS 98 9.947 15.829 15.829 674 2HZ LYS 98 HZ3 LYS 98 9.483 15.839 15.839 675 3HZ LYS 98 HZ2 LYS 98 10.810 16.772 16.772 676 HA PRO 99 HA PRO 99 15.322 13.434 13.434 677 1HB PRO 99 HB2 PRO 99 16.804 11.160 11.160 678 2HB PRO 99 HB1 PRO 99 16.641 11.966 11.966 679 1HG PRO 99 HG2 PRO 99 15.365 9.448 9.448 680 2HG PRO 99 HG1 PRO 99 15.771 9.942 9.942 681 1HD PRO 99 HD2 PRO 99 13.206 10.018 10.018 682 2HD PRO 99 HD1 PRO 99 13.696 10.838 10.838 683 H ALA 100 HN ALA 100 14.154 14.036 14.036 684 HA ALA 100 HA ALA 100 14.555 12.117 12.117 685 1HB ALA 100 HB1 ALA 100 12.293 13.453 13.453 686 2HB ALA 100 HB3 ALA 100 13.100 14.701 14.701 687 3HB ALA 100 HB2 ALA 100 12.781 13.119 13.119 Start of MODEL 3 1 1H ALA 1 HT3 ALA 1 -17.966 -12.587 -12.587 2 2H ALA 1 HT2 ALA 1 -18.786 -11.214 -11.214 3 3H ALA 1 HT1 ALA 1 -19.250 -11.933 -11.933 4 HA ALA 1 HA ALA 1 -17.522 -11.061 -11.061 5 1HB ALA 1 HB2 ALA 1 -18.701 -9.298 -9.298 6 2HB ALA 1 HB1 ALA 1 -17.042 -8.805 -8.805 7 3HB ALA 1 HB3 ALA 1 -18.185 -8.933 -8.933 8 H ASP 2 HN ASP 2 -15.481 -9.294 -9.294 9 HA ASP 2 HA ASP 2 -13.629 -11.282 -11.282 10 1HB ASP 2 HB2 ASP 2 -12.981 -10.823 -10.823 11 2HB ASP 2 HB1 ASP 2 -13.169 -9.090 -9.090 12 HA PRO 3 HA PRO 3 -13.659 -7.300 -7.300 13 1HB PRO 3 HB2 PRO 3 -15.379 -7.997 -7.997 14 2HB PRO 3 HB1 PRO 3 -15.898 -7.107 -7.107 15 1HG PRO 3 HG2 PRO 3 -16.324 -9.986 -9.986 16 2HG PRO 3 HG1 PRO 3 -17.334 -8.903 -8.903 17 1HD PRO 3 HD2 PRO 3 -15.586 -10.843 -10.843 18 2HD PRO 3 HD1 PRO 3 -16.263 -9.464 -9.464 19 H GLU 4 HN GLU 4 -13.107 -10.577 -10.577 20 HA GLU 4 HA GLU 4 -11.613 -10.374 -10.374 21 1HB GLU 4 HB2 GLU 4 -13.787 -11.992 -11.992 22 2HB GLU 4 HB1 GLU 4 -12.400 -13.056 -13.056 23 1HG GLU 4 HG2 GLU 4 -12.016 -11.458 -11.458 24 2HG GLU 4 HG1 GLU 4 -13.571 -12.287 -12.287 25 H LYS 5 HN LYS 5 -11.143 -10.551 -10.551 26 HA LYS 5 HA LYS 5 -8.580 -11.999 -11.999 27 1HB LYS 5 HB2 LYS 5 -10.372 -12.531 -12.531 28 2HB LYS 5 HB1 LYS 5 -8.902 -13.391 -13.391 29 1HG LYS 5 HG2 LYS 5 -10.398 -13.687 -13.687 30 2HG LYS 5 HG1 LYS 5 -11.657 -13.690 -13.690 31 1HD LYS 5 HD2 LYS 5 -11.123 -15.913 -15.913 32 2HD LYS 5 HD1 LYS 5 -9.846 -15.316 -15.316 33 1HE LYS 5 HE2 LYS 5 -8.416 -15.067 -15.067 34 2HE LYS 5 HE1 LYS 5 -9.647 -16.030 -16.030 35 1HZ LYS 5 HZ1 LYS 5 -8.597 -17.027 -17.027 36 2HZ LYS 5 HZ3 LYS 5 -7.591 -17.134 -17.134 37 3HZ LYS 5 HZ2 LYS 5 -9.115 -17.884 -17.884 38 H SER 6 HN SER 6 -9.238 -9.231 -9.231 39 HA SER 6 HA SER 6 -8.178 -8.576 -8.576 40 1HB SER 6 HB2 SER 6 -9.730 -6.874 -6.874 41 2HB SER 6 HB1 SER 6 -9.099 -6.308 -6.308 42 HG SER 6 HG SER 6 -11.174 -8.112 -8.112 43 H TYR 7 HN TYR 7 -6.020 -8.184 -8.184 44 HA TYR 7 HA TYR 7 -5.082 -6.489 -6.489 45 1HB TYR 7 HB2 TYR 7 -2.905 -8.071 -8.071 46 2HB TYR 7 HB1 TYR 7 -4.152 -8.381 -8.381 47 HD1 TYR 7 HD1 TYR 7 -6.164 -9.849 -9.849 48 HD2 TYR 7 HD2 TYR 7 -2.455 -9.661 -9.661 49 HE1 TYR 7 HE1 TYR 7 -6.694 -12.009 -12.009 50 HE2 TYR 7 HE2 TYR 7 -2.985 -11.821 -11.821 51 HH TYR 7 HH TYR 7 -5.872 -13.102 -13.102 52 H ALA 8 HN ALA 8 -3.525 -4.996 -4.996 53 HA ALA 8 HA ALA 8 -2.554 -4.951 -4.951 54 1HB ALA 8 HB2 ALA 8 -3.820 -2.881 -2.881 55 2HB ALA 8 HB1 ALA 8 -2.306 -2.357 -2.357 56 3HB ALA 8 HB3 ALA 8 -3.621 -2.946 -2.946 57 H GLU 9 HN GLU 9 -0.355 -5.224 -5.224 58 HA GLU 9 HA GLU 9 1.262 -4.071 -4.071 59 1HB GLU 9 HB2 GLU 9 2.657 -6.255 -6.255 60 2HB GLU 9 HB1 GLU 9 1.131 -6.302 -6.302 61 1HG GLU 9 HG2 GLU 9 -0.006 -7.254 -7.254 62 2HG GLU 9 HG1 GLU 9 1.471 -7.129 -7.129 63 H GLY 10 HN GLY 10 3.269 -3.360 -3.360 64 1HA GLY 10 HA2 GLY 10 4.436 -4.113 -4.113 65 2HA GLY 10 HA1 GLY 10 3.771 -2.483 -2.483 66 HA PRO 11 HA PRO 11 8.019 -2.374 -2.374 67 1HB PRO 11 HB2 PRO 11 9.389 -1.375 -1.375 68 2HB PRO 11 HB1 PRO 11 9.269 -3.107 -3.107 69 1HG PRO 11 HG2 PRO 11 7.881 -1.529 -1.529 70 2HG PRO 11 HG1 PRO 11 8.282 -3.254 -3.254 71 1HD PRO 11 HD2 PRO 11 5.734 -2.129 -2.129 72 2HD PRO 11 HD1 PRO 11 6.222 -3.804 -3.804 73 H GLY 12 HN GLY 12 5.557 -0.573 -0.573 74 1HA GLY 12 HA2 GLY 12 6.874 2.059 2.059 75 2HA GLY 12 HA1 GLY 12 5.409 1.820 1.820 76 H LEU 13 HN LEU 13 5.583 3.571 3.571 77 HA LEU 13 HA LEU 13 4.005 4.089 4.089 78 1HB LEU 13 HB2 LEU 13 2.093 2.933 2.933 79 2HB LEU 13 HB1 LEU 13 2.760 2.074 2.074 80 HG LEU 13 HG LEU 13 3.703 0.776 0.776 81 1HD1 LEU 13 HD13 LEU 13 1.092 1.969 1.969 82 2HD1 LEU 13 HD12 LEU 13 0.984 0.210 0.210 83 3HD1 LEU 13 HD11 LEU 13 2.035 1.055 1.055 84 1HD2 LEU 13 HD22 LEU 13 2.291 0.175 0.175 85 2HD2 LEU 13 HD21 LEU 13 3.387 -0.842 -0.842 86 3HD2 LEU 13 HD23 LEU 13 1.675 -0.778 -0.778 87 H ASP 14 HN ASP 14 6.458 1.893 1.893 88 HA ASP 14 HA ASP 14 6.331 0.946 0.946 89 1HB ASP 14 HB2 ASP 14 8.890 1.600 1.600 90 2HB ASP 14 HB1 ASP 14 8.549 0.262 0.262 91 H GLY 15 HN GLY 15 7.020 3.932 3.932 92 1HA GLY 15 HA2 GLY 15 7.330 6.057 6.057 93 2HA GLY 15 HA1 GLY 15 7.406 5.250 5.250 94 H GLY 16 HN GLY 16 9.221 5.915 5.915 95 1HA GLY 16 HA2 GLY 16 11.524 6.124 6.124 96 2HA GLY 16 HA1 GLY 16 11.754 4.940 4.940 97 H GLU 17 HN GLU 17 11.217 6.054 6.054 98 HA GLU 17 HA GLU 17 12.659 8.674 8.674 99 1HB GLU 17 HB2 GLU 17 13.031 6.297 6.297 100 2HB GLU 17 HB1 GLU 17 13.591 7.890 7.890 101 1HG GLU 17 HG2 GLU 17 15.129 8.004 8.004 102 2HG GLU 17 HG1 GLU 17 14.316 6.718 6.718 103 H CYS 18 HN CYS 18 11.981 10.223 10.223 104 HA CYS 18 HA CYS 18 9.364 9.837 9.837 105 1HB CYS 18 HB2 CYS 18 11.005 12.232 12.232 106 2HB CYS 18 HB1 CYS 18 9.936 12.362 12.362 107 HG CYS 18 HG CYS 18 8.488 12.988 12.988 108 H PHE 19 HN PHE 19 12.703 9.982 9.982 109 HA PHE 19 HA PHE 19 12.074 10.599 10.599 110 1HB PHE 19 HB2 PHE 19 14.666 10.142 10.142 111 2HB PHE 19 HB1 PHE 19 14.595 10.288 10.288 112 HD1 PHE 19 HD2 PHE 19 12.947 11.932 11.932 113 HD2 PHE 19 HD1 PHE 19 15.048 12.457 12.457 114 HE1 PHE 19 HE2 PHE 19 12.716 14.370 14.370 115 HE2 PHE 19 HE1 PHE 19 14.808 14.919 14.919 116 HZ PHE 19 HZ PHE 19 13.627 15.860 15.860 117 H GLN 20 HN GLN 20 11.454 8.038 8.038 118 HA GLN 20 HA GLN 20 12.639 6.079 6.079 119 1HB GLN 20 HB2 GLN 20 11.953 5.977 5.977 120 2HB GLN 20 HB1 GLN 20 10.848 4.896 4.896 121 1HG GLN 20 HG2 GLN 20 13.445 4.523 4.523 122 2HG GLN 20 HG1 GLN 20 13.604 4.462 4.462 123 1HE2 GLN 20 HE22 GLN 20 12.102 1.276 1.276 124 2HE2 GLN 20 HE21 GLN 20 12.998 2.495 2.495 125 HA PRO 21 HA PRO 21 8.891 6.314 6.314 126 1HB PRO 21 HB2 PRO 21 8.968 3.838 3.838 127 2HB PRO 21 HB1 PRO 21 9.928 5.229 5.229 128 1HG PRO 21 HG2 PRO 21 10.799 2.823 2.823 129 2HG PRO 21 HG1 PRO 21 11.724 3.823 3.823 130 1HD PRO 21 HD2 PRO 21 11.924 3.985 3.985 131 2HD PRO 21 HD1 PRO 21 12.416 5.270 5.270 132 H SER 22 HN SER 22 6.793 5.963 5.963 133 HA SER 22 HA SER 22 6.406 3.718 3.718 134 1HB SER 22 HB2 SER 22 4.421 5.853 5.853 135 2HB SER 22 HB1 SER 22 4.582 4.880 4.880 136 HG SER 22 HG SER 22 6.402 6.861 6.861 137 H LYS 23 HN LYS 23 5.670 1.917 1.917 138 HA LYS 23 HA LYS 23 3.287 2.231 2.231 139 1HB LYS 23 HB2 LYS 23 5.554 0.547 0.547 140 2HB LYS 23 HB1 LYS 23 4.175 1.198 1.198 141 1HG LYS 23 HG2 LYS 23 5.126 3.517 3.517 142 2HG LYS 23 HG1 LYS 23 6.599 2.693 2.693 143 1HD LYS 23 HD2 LYS 23 6.641 1.557 1.557 144 2HD LYS 23 HD1 LYS 23 5.293 2.587 2.587 145 1HE LYS 23 HE2 LYS 23 7.673 3.922 3.922 146 2HE LYS 23 HE1 LYS 23 7.834 3.304 3.304 147 1HZ LYS 23 HZ3 LYS 23 5.500 4.927 4.927 148 2HZ LYS 23 HZ2 LYS 23 6.961 5.673 5.673 149 3HZ LYS 23 HZ1 LYS 23 6.148 4.668 4.668 150 H PHE 24 HN PHE 24 1.918 0.584 0.584 151 HA PHE 24 HA PHE 24 3.003 -1.957 -1.957 152 1HB PHE 24 HB2 PHE 24 0.557 -1.455 -1.455 153 2HB PHE 24 HB1 PHE 24 2.167 -1.702 -1.702 154 HD1 PHE 24 HD2 PHE 24 3.774 0.404 0.404 155 HD2 PHE 24 HD1 PHE 24 -0.508 0.545 0.545 156 HE1 PHE 24 HE2 PHE 24 3.894 2.783 2.783 157 HE2 PHE 24 HE1 PHE 24 -0.388 2.929 2.929 158 HZ PHE 24 HZ PHE 24 1.830 4.038 4.038 159 H LYS 25 HN LYS 25 1.467 -3.753 -3.753 160 HA LYS 25 HA LYS 25 -0.539 -3.246 -3.246 161 1HB LYS 25 HB2 LYS 25 0.720 -5.925 -5.925 162 2HB LYS 25 HB1 LYS 25 -0.088 -5.412 -5.412 163 1HG LYS 25 HG2 LYS 25 1.850 -3.580 -3.580 164 2HG LYS 25 HG1 LYS 25 2.681 -4.816 -4.816 165 1HD LYS 25 HD2 LYS 25 1.569 -6.292 -6.292 166 2HD LYS 25 HD1 LYS 25 2.014 -4.792 -4.792 167 1HE LYS 25 HE2 LYS 25 4.179 -5.399 -5.399 168 2HE LYS 25 HE1 LYS 25 3.729 -6.926 -6.926 169 1HZ LYS 25 HZ2 LYS 25 3.929 -4.484 -4.484 170 2HZ LYS 25 HZ1 LYS 25 5.342 -5.325 -5.325 171 3HZ LYS 25 HZ3 LYS 25 4.127 -6.105 -6.105 172 H ILE 26 HN ILE 26 -2.615 -4.089 -4.089 173 HA ILE 26 HA ILE 26 -3.124 -5.124 -5.124 174 HB ILE 26 HB ILE 26 -5.144 -3.845 -3.845 175 1HG1 ILE 26 HG12 ILE 26 -3.098 -2.587 -2.587 176 2HG1 ILE 26 HG11 ILE 26 -3.398 -2.225 -2.225 177 1HG2 ILE 26 HG22 ILE 26 -4.917 -4.145 -4.145 178 2HG2 ILE 26 HG21 ILE 26 -6.216 -3.298 -3.298 179 3HG2 ILE 26 HG23 ILE 26 -6.016 -5.036 -5.036 180 1HD1 ILE 26 HD13 ILE 26 -5.827 -1.663 -1.663 181 2HD1 ILE 26 HD12 ILE 26 -4.948 -1.407 -1.407 182 3HD1 ILE 26 HD11 ILE 26 -4.529 -0.471 -0.471 183 H HIS 27 HN HIS 27 -4.601 -6.837 -6.837 184 HA HIS 27 HA HIS 27 -5.474 -8.240 -8.240 185 1HB HIS 27 HB2 HIS 27 -4.606 -10.154 -10.154 186 2HB HIS 27 HB1 HIS 27 -4.146 -10.043 -10.043 187 HD1 HIS 27 HD1 HIS 27 -2.475 -7.698 -7.698 188 HD2 HIS 27 HD2 HIS 27 -2.342 -9.896 -9.896 189 HE1 HIS 27 HE1 HIS 27 -0.331 -7.054 -7.054 190 H ALA 28 HN ALA 28 -7.604 -8.574 -8.574 191 HA ALA 28 HA ALA 28 -8.758 -8.879 -8.879 192 1HB ALA 28 HB3 ALA 28 -9.737 -7.770 -7.770 193 2HB ALA 28 HB2 ALA 28 -10.928 -8.597 -8.597 194 3HB ALA 28 HB1 ALA 28 -10.037 -7.220 -7.220 195 H VAL 29 HN VAL 29 -9.594 -10.885 -10.885 196 HA VAL 29 HA VAL 29 -10.077 -12.874 -12.874 197 HB VAL 29 HB VAL 29 -8.899 -13.201 -13.201 198 1HG1 VAL 29 HG12 VAL 29 -10.345 -15.333 -15.333 199 2HG1 VAL 29 HG11 VAL 29 -9.299 -15.668 -15.668 200 3HG1 VAL 29 HG13 VAL 29 -10.791 -14.754 -14.754 201 1HG2 VAL 29 HG23 VAL 29 -7.742 -13.085 -13.085 202 2HG2 VAL 29 HG22 VAL 29 -7.133 -14.155 -14.155 203 3HG2 VAL 29 HG21 VAL 29 -8.171 -14.796 -14.796 204 H ASP 30 HN ASP 30 -12.114 -13.571 -13.571 205 HA ASP 30 HA ASP 30 -14.023 -12.798 -12.798 206 1HB ASP 30 HB2 ASP 30 -15.597 -12.491 -12.491 207 2HB ASP 30 HB1 ASP 30 -14.144 -12.188 -12.188 208 HA PRO 31 HA PRO 31 -15.043 -16.962 -16.962 209 1HB PRO 31 HB2 PRO 31 -17.761 -17.185 -17.185 210 2HB PRO 31 HB1 PRO 31 -17.003 -16.317 -16.317 211 1HG PRO 31 HG2 PRO 31 -18.372 -15.219 -15.219 212 2HG PRO 31 HG1 PRO 31 -18.135 -14.479 -14.479 213 1HD PRO 31 HD2 PRO 31 -16.653 -13.920 -13.920 214 2HD PRO 31 HD1 PRO 31 -16.249 -13.385 -13.385 215 H ASP 32 HN ASP 32 -14.740 -16.277 -16.277 216 HA ASP 32 HA ASP 32 -15.929 -18.891 -18.891 217 1HB ASP 32 HB2 ASP 32 -15.372 -16.369 -16.369 218 2HB ASP 32 HB1 ASP 32 -15.885 -17.899 -17.899 219 H GLY 33 HN GLY 33 -13.143 -17.752 -17.752 220 1HA GLY 33 HA2 GLY 33 -10.915 -18.456 -18.456 221 2HA GLY 33 HA1 GLY 33 -11.515 -19.675 -19.675 222 H VAL 34 HN VAL 34 -12.076 -16.214 -16.214 223 HA VAL 34 HA VAL 34 -10.281 -15.905 -15.905 224 HB VAL 34 HB VAL 34 -13.082 -14.914 -14.914 225 1HG1 VAL 34 HG11 VAL 34 -10.837 -14.935 -14.935 226 2HG1 VAL 34 HG13 VAL 34 -11.690 -16.360 -16.360 227 3HG1 VAL 34 HG12 VAL 34 -12.481 -14.784 -14.784 228 1HG2 VAL 34 HG22 VAL 34 -12.261 -17.821 -17.821 229 2HG2 VAL 34 HG21 VAL 34 -13.646 -17.121 -17.121 230 3HG2 VAL 34 HG23 VAL 34 -13.620 -17.186 -17.186 231 H HIS 35 HN HIS 35 -11.336 -13.429 -13.429 232 HA HIS 35 HA HIS 35 -10.755 -11.766 -11.766 233 1HB HIS 35 HB2 HIS 35 -10.317 -11.415 -11.415 234 2HB HIS 35 HB1 HIS 35 -10.519 -9.981 -9.981 235 HD1 HIS 35 HD1 HIS 35 -8.198 -12.864 -12.864 236 HD2 HIS 35 HD2 HIS 35 -8.425 -9.535 -9.535 237 HE1 HIS 35 HE1 HIS 35 -5.921 -12.625 -12.625 238 H ARG 36 HN ARG 36 -13.195 -12.570 -12.570 239 HA ARG 36 HA ARG 36 -15.492 -12.106 -12.106 240 1HB ARG 36 HB2 ARG 36 -15.905 -9.541 -9.541 241 2HB ARG 36 HB1 ARG 36 -15.063 -10.341 -10.341 242 1HG ARG 36 HG2 ARG 36 -12.893 -9.663 -9.663 243 2HG ARG 36 HG1 ARG 36 -13.757 -8.833 -8.833 244 1HD ARG 36 HD2 ARG 36 -12.988 -7.674 -7.674 245 2HD ARG 36 HD1 ARG 36 -14.243 -7.052 -7.052 246 HE ARG 36 HE ARG 36 -14.726 -8.647 -8.647 247 1HH1 ARG 36 HH21 ARG 36 -16.103 -7.681 -7.681 248 2HH1 ARG 36 HH22 ARG 36 -17.584 -7.111 -7.111 249 1HH2 ARG 36 HH11 ARG 36 -16.514 -7.534 -7.534 250 2HH2 ARG 36 HH12 ARG 36 -17.816 -7.029 -7.029 251 H THR 37 HN THR 37 -15.231 -12.983 -12.983 252 HA THR 37 HA THR 37 -15.571 -12.731 -12.731 253 HB THR 37 HB THR 37 -17.469 -10.498 -10.498 254 HG1 THR 37 HG1 THR 37 -18.895 -12.135 -12.135 255 1HG2 THR 37 HG21 THR 37 -17.127 -12.195 -12.195 256 2HG2 THR 37 HG23 THR 37 -18.218 -13.184 -13.184 257 3HG2 THR 37 HG22 THR 37 -18.723 -11.582 -11.582 258 H ASP 38 HN ASP 38 -13.403 -11.721 -11.721 259 HA ASP 38 HA ASP 38 -12.633 -9.102 -9.102 260 1HB ASP 38 HB2 ASP 38 -11.644 -11.219 -11.219 261 2HB ASP 38 HB1 ASP 38 -12.086 -10.107 -10.107 262 H GLY 39 HN GLY 39 -12.613 -7.270 -7.270 263 1HA GLY 39 HA2 GLY 39 -13.644 -6.021 -6.021 264 2HA GLY 39 HA1 GLY 39 -14.935 -7.221 -7.221 265 H GLY 40 HN GLY 40 -15.582 -7.272 -7.272 266 1HA GLY 40 HA2 GLY 40 -16.509 -4.459 -4.459 267 2HA GLY 40 HA1 GLY 40 -17.606 -5.825 -5.825 268 H ASP 41 HN ASP 41 -14.289 -5.004 -5.004 269 HA ASP 41 HA ASP 41 -15.027 -6.198 -6.198 270 1HB ASP 41 HB2 ASP 41 -12.354 -5.128 -5.128 271 2HB ASP 41 HB1 ASP 41 -12.624 -5.987 -5.987 272 H GLY 42 HN GLY 42 -15.827 -4.848 -4.848 273 1HA GLY 42 HA2 GLY 42 -15.833 -1.980 -1.980 274 2HA GLY 42 HA1 GLY 42 -16.308 -2.852 -2.852 275 H PHE 43 HN PHE 43 -13.310 -2.263 -2.263 276 HA PHE 43 HA PHE 43 -11.823 -2.125 -2.125 277 1HB PHE 43 HB2 PHE 43 -11.270 -3.166 -3.166 278 2HB PHE 43 HB1 PHE 43 -10.152 -1.834 -1.834 279 HD1 PHE 43 HD1 PHE 43 -9.936 -2.049 -2.049 280 HD2 PHE 43 HD2 PHE 43 -9.832 -5.017 -5.017 281 HE1 PHE 43 HE1 PHE 43 -8.539 -3.523 -3.523 282 HE2 PHE 43 HE2 PHE 43 -8.430 -6.476 -6.476 283 HZ PHE 43 HZ PHE 43 -7.788 -5.728 -5.728 284 H VAL 44 HN VAL 44 -11.544 -0.121 -0.121 285 HA VAL 44 HA VAL 44 -10.990 2.100 2.100 286 HB VAL 44 HB VAL 44 -12.969 2.994 2.994 287 1HG1 VAL 44 HG11 VAL 44 -12.779 0.876 0.876 288 2HG1 VAL 44 HG13 VAL 44 -13.643 2.312 2.312 289 3HG1 VAL 44 HG12 VAL 44 -14.174 1.446 1.446 290 1HG2 VAL 44 HG21 VAL 44 -11.134 4.340 4.340 291 2HG2 VAL 44 HG23 VAL 44 -12.744 4.497 4.497 292 3HG2 VAL 44 HG22 VAL 44 -11.539 3.467 3.467 293 H VAL 45 HN VAL 45 -8.897 2.633 2.633 294 HA VAL 45 HA VAL 45 -7.788 2.500 2.500 295 HB VAL 45 HB VAL 45 -6.142 2.308 2.308 296 1HG1 VAL 45 HG12 VAL 45 -5.764 1.804 1.804 297 2HG1 VAL 45 HG11 VAL 45 -4.795 0.891 0.891 298 3HG1 VAL 45 HG13 VAL 45 -4.709 2.653 2.653 299 1HG2 VAL 45 HG23 VAL 45 -8.098 0.456 0.456 300 2HG2 VAL 45 HG22 VAL 45 -6.685 0.147 0.147 301 3HG2 VAL 45 HG21 VAL 45 -6.636 -0.209 -0.209 302 H THR 46 HN THR 46 -6.285 4.176 4.176 303 HA THR 46 HA THR 46 -5.807 6.361 6.361 304 HB THR 46 HB THR 46 -7.005 7.835 7.835 305 HG1 THR 46 HG1 THR 46 -9.133 6.802 6.802 306 1HG2 THR 46 HG22 THR 46 -7.246 7.402 7.402 307 2HG2 THR 46 HG21 THR 46 -8.879 7.280 7.280 308 3HG2 THR 46 HG23 THR 46 -7.924 8.735 8.735 309 H ILE 47 HN ILE 47 -3.950 7.321 7.321 310 HA ILE 47 HA ILE 47 -3.008 7.177 7.177 311 HB ILE 47 HB ILE 47 -1.509 6.672 6.672 312 1HG1 ILE 47 HG12 ILE 47 -2.037 5.283 5.283 313 2HG1 ILE 47 HG11 ILE 47 -1.681 4.609 4.609 314 1HG2 ILE 47 HG21 ILE 47 -0.283 7.725 7.725 315 2HG2 ILE 47 HG23 ILE 47 0.623 7.119 7.119 316 3HG2 ILE 47 HG22 ILE 47 -0.339 8.579 8.579 317 1HD1 ILE 47 HD13 ILE 47 0.722 5.444 5.444 318 2HD1 ILE 47 HD12 ILE 47 0.276 5.674 5.674 319 3HD1 ILE 47 HD11 ILE 47 0.224 4.063 4.063 320 H GLU 48 HN GLU 48 -1.663 8.994 8.994 321 HA GLU 48 HA GLU 48 -1.169 11.121 11.121 322 1HB GLU 48 HB2 GLU 48 -2.778 12.728 12.728 323 2HB GLU 48 HB1 GLU 48 -3.322 11.932 11.932 324 1HG GLU 48 HG2 GLU 48 -4.702 10.512 10.512 325 2HG GLU 48 HG1 GLU 48 -3.555 10.289 10.289 326 H GLY 49 HN GLY 49 -0.043 12.868 12.868 327 1HA GLY 49 HA2 GLY 49 0.523 12.911 12.911 328 2HA GLY 49 HA1 GLY 49 1.883 12.400 12.400 329 HA PRO 50 HA PRO 50 1.817 17.035 17.035 330 1HB PRO 50 HB2 PRO 50 4.399 17.310 17.310 331 2HB PRO 50 HB1 PRO 50 2.993 17.192 17.192 332 1HG PRO 50 HG2 PRO 50 5.054 15.128 15.128 333 2HG PRO 50 HG1 PRO 50 4.094 15.335 15.335 334 1HD PRO 50 HD2 PRO 50 3.592 13.436 13.436 335 2HD PRO 50 HD1 PRO 50 2.439 13.934 13.934 336 H ALA 51 HN ALA 51 1.835 16.215 16.215 337 HA ALA 51 HA ALA 51 4.332 17.178 17.178 338 1HB ALA 51 HB1 ALA 51 3.786 14.370 14.370 339 2HB ALA 51 HB3 ALA 51 3.718 14.795 14.795 340 3HB ALA 51 HB2 ALA 51 5.169 15.145 15.145 341 HA PRO 52 HA PRO 52 1.645 18.368 18.368 342 1HB PRO 52 HB2 PRO 52 3.073 17.738 17.738 343 2HB PRO 52 HB1 PRO 52 3.476 19.092 19.092 344 1HG PRO 52 HG2 PRO 52 4.840 16.455 16.455 345 2HG PRO 52 HG1 PRO 52 5.503 18.011 18.011 346 1HD PRO 52 HD2 PRO 52 4.789 15.864 15.864 347 2HD PRO 52 HD1 PRO 52 5.120 17.532 17.532 348 H VAL 53 HN VAL 53 3.038 15.148 15.148 349 HA VAL 53 HA VAL 53 0.463 14.378 14.378 350 HB VAL 53 HB VAL 53 2.840 12.558 12.558 351 1HG1 VAL 53 HG13 VAL 53 0.561 12.097 12.097 352 2HG1 VAL 53 HG12 VAL 53 1.011 13.311 13.311 353 3HG1 VAL 53 HG11 VAL 53 1.982 11.849 11.849 354 1HG2 VAL 53 HG21 VAL 53 2.719 15.244 15.244 355 2HG2 VAL 53 HG23 VAL 53 4.112 14.364 14.364 356 3HG2 VAL 53 HG22 VAL 53 3.415 13.918 13.918 357 H ASP 54 HN ASP 54 -0.516 14.286 14.286 358 HA ASP 54 HA ASP 54 0.505 12.112 12.112 359 1HB ASP 54 HB2 ASP 54 -1.811 14.027 14.027 360 2HB ASP 54 HB1 ASP 54 -1.264 12.857 12.857 361 HA PRO 55 HA PRO 55 -3.757 10.296 10.296 362 1HB PRO 55 HB2 PRO 55 -5.148 11.496 11.496 363 2HB PRO 55 HB1 PRO 55 -5.319 11.963 11.963 364 1HG PRO 55 HG2 PRO 55 -3.932 13.403 13.403 365 2HG PRO 55 HG1 PRO 55 -4.629 14.047 14.047 366 1HD PRO 55 HD2 PRO 55 -1.870 13.556 13.556 367 2HD PRO 55 HD1 PRO 55 -2.604 13.973 13.973 368 H VAL 56 HN VAL 56 -2.559 8.542 8.542 369 HA VAL 56 HA VAL 56 -2.503 8.635 8.635 370 HB VAL 56 HB VAL 56 -0.300 7.448 7.448 371 1HG1 VAL 56 HG11 VAL 56 -0.876 7.976 7.976 372 2HG1 VAL 56 HG13 VAL 56 0.798 8.166 8.166 373 3HG1 VAL 56 HG12 VAL 56 -0.025 6.622 6.622 374 1HG2 VAL 56 HG23 VAL 56 -0.623 9.970 9.970 375 2HG2 VAL 56 HG22 VAL 56 0.964 9.475 9.475 376 3HG2 VAL 56 HG21 VAL 56 -0.212 10.178 10.178 377 H MET 57 HN MET 57 -4.219 7.082 7.082 378 HA MET 57 HA MET 57 -3.339 4.373 4.373 379 1HB MET 57 HB2 MET 57 -5.369 3.795 3.795 380 2HB MET 57 HB1 MET 57 -4.912 5.356 5.356 381 1HG MET 57 HG2 MET 57 -6.972 6.071 6.071 382 2HG MET 57 HG1 MET 57 -6.399 6.015 6.015 383 1HE MET 57 HE1 MET 57 -7.731 5.375 5.375 384 2HE MET 57 HE3 MET 57 -6.969 3.795 3.795 385 3HE MET 57 HE2 MET 57 -8.724 3.927 3.927 386 H VAL 58 HN VAL 58 -3.778 2.815 2.815 387 HA VAL 58 HA VAL 58 -5.595 3.528 3.528 388 HB VAL 58 HB VAL 58 -3.375 1.719 1.719 389 1HG1 VAL 58 HG11 VAL 58 -5.108 3.709 3.709 390 2HG1 VAL 58 HG13 VAL 58 -3.426 3.961 3.961 391 3HG1 VAL 58 HG12 VAL 58 -4.202 2.403 2.403 392 1HG2 VAL 58 HG21 VAL 58 -2.281 3.369 3.369 393 2HG2 VAL 58 HG23 VAL 58 -1.639 3.401 3.401 394 3HG2 VAL 58 HG22 VAL 58 -2.761 4.652 4.652 395 H ASP 59 HN ASP 59 -6.547 1.651 1.651 396 HA ASP 59 HA ASP 59 -6.499 -0.835 -0.835 397 1HB ASP 59 HB2 ASP 59 -8.598 0.118 0.118 398 2HB ASP 59 HB1 ASP 59 -8.837 0.702 0.702 399 H ASN 60 HN ASN 60 -5.919 -2.589 -2.589 400 HA ASN 60 HA ASN 60 -5.809 -2.304 -2.304 401 1HB ASN 60 HB2 ASN 60 -4.122 -3.498 -3.498 402 2HB ASN 60 HB1 ASN 60 -5.070 -4.889 -4.889 403 1HD2 ASN 60 HD22 ASN 60 -2.243 -3.477 -3.477 404 2HD2 ASN 60 HD21 ASN 60 -2.356 -3.066 -3.066 405 H GLY 61 HN GLY 61 -7.962 -3.705 -3.705 406 1HA GLY 61 HA2 GLY 61 -10.065 -4.660 -4.660 407 2HA GLY 61 HA1 GLY 61 -9.608 -4.690 -4.690 408 H ASP 62 HN ASP 62 -7.030 -6.004 -6.004 409 HA ASP 62 HA ASP 62 -7.942 -8.744 -8.744 410 1HB ASP 62 HB2 ASP 62 -5.511 -9.306 -9.306 411 2HB ASP 62 HB1 ASP 62 -5.774 -8.142 -8.142 412 H GLY 63 HN GLY 63 -8.945 -7.335 -7.335 413 1HA GLY 63 HA2 GLY 63 -9.528 -8.097 -8.097 414 2HA GLY 63 HA1 GLY 63 -8.515 -9.510 -9.510 415 H THR 64 HN THR 64 -6.511 -7.086 -7.086 416 HA THR 64 HA THR 64 -5.609 -6.707 -6.707 417 HB THR 64 HB THR 64 -3.276 -6.573 -6.573 418 HG1 THR 64 HG1 THR 64 -3.249 -7.963 -7.963 419 1HG2 THR 64 HG23 THR 64 -4.732 -8.628 -8.628 420 2HG2 THR 64 HG22 THR 64 -4.047 -9.369 -9.369 421 3HG2 THR 64 HG21 THR 64 -2.988 -8.602 -8.602 422 H TYR 65 HN TYR 65 -4.770 -4.625 -4.625 423 HA TYR 65 HA TYR 65 -5.081 -2.613 -2.613 424 1HB TYR 65 HB2 TYR 65 -5.834 -2.373 -2.373 425 2HB TYR 65 HB1 TYR 65 -5.855 -1.029 -1.029 426 HD1 TYR 65 HD2 TYR 65 -6.998 -4.609 -4.609 427 HD2 TYR 65 HD1 TYR 65 -7.896 -0.571 -0.571 428 HE1 TYR 65 HE2 TYR 65 -9.171 -5.349 -5.349 429 HE2 TYR 65 HE1 TYR 65 -10.078 -1.309 -1.309 430 HH TYR 65 HH TYR 65 -11.001 -3.656 -3.656 431 H ASP 66 HN ASP 66 -3.661 -0.733 -0.733 432 HA ASP 66 HA ASP 66 -1.325 -1.188 -1.188 433 1HB ASP 66 HB2 ASP 66 -0.705 -1.954 -1.954 434 2HB ASP 66 HB1 ASP 66 -1.234 -0.421 -0.421 435 H VAL 67 HN VAL 67 -0.667 0.632 0.632 436 HA VAL 67 HA VAL 67 -1.696 3.237 3.237 437 HB VAL 67 HB VAL 67 -2.323 3.886 3.886 438 1HG1 VAL 67 HG12 VAL 67 -2.830 0.904 0.904 439 2HG1 VAL 67 HG11 VAL 67 -3.725 2.021 2.021 440 3HG1 VAL 67 HG13 VAL 67 -3.832 2.162 2.162 441 1HG2 VAL 67 HG22 VAL 67 -0.531 1.659 1.659 442 2HG2 VAL 67 HG21 VAL 67 -0.467 3.367 3.367 443 3HG2 VAL 67 HG23 VAL 67 -1.747 2.340 2.340 444 H GLU 68 HN GLU 68 -0.168 5.046 5.046 445 HA GLU 68 HA GLU 68 2.424 4.387 4.387 446 1HB GLU 68 HB2 GLU 68 2.523 5.454 5.454 447 2HB GLU 68 HB1 GLU 68 3.753 4.557 4.557 448 1HG GLU 68 HG2 GLU 68 2.902 3.001 3.001 449 2HG GLU 68 HG1 GLU 68 2.088 2.574 2.574 450 H PHE 69 HN PHE 69 3.158 6.144 6.144 451 HA PHE 69 HA PHE 69 2.703 8.823 8.823 452 1HB PHE 69 HB2 PHE 69 2.141 9.882 9.882 453 2HB PHE 69 HB1 PHE 69 1.089 8.475 8.475 454 HD1 PHE 69 HD2 PHE 69 2.275 6.233 6.233 455 HD2 PHE 69 HD1 PHE 69 3.196 10.272 10.272 456 HE1 PHE 69 HE2 PHE 69 3.186 5.434 5.434 457 HE2 PHE 69 HE1 PHE 69 4.107 9.471 9.471 458 HZ PHE 69 HZ PHE 69 4.091 7.028 7.028 459 H GLU 70 HN GLU 70 4.457 10.370 10.370 460 HA GLU 70 HA GLU 70 6.757 9.176 9.176 461 1HB GLU 70 HB2 GLU 70 8.271 9.439 9.439 462 2HB GLU 70 HB1 GLU 70 6.925 8.397 8.397 463 1HG GLU 70 HG2 GLU 70 6.546 9.780 9.780 464 2HG GLU 70 HG1 GLU 70 6.051 11.006 11.006 465 HA PRO 71 HA PRO 71 6.667 13.662 13.662 466 1HB PRO 71 HB2 PRO 71 7.501 13.414 13.414 467 2HB PRO 71 HB1 PRO 71 5.812 13.246 13.246 468 1HG PRO 71 HG2 PRO 71 7.724 11.136 11.136 469 2HG PRO 71 HG1 PRO 71 5.954 11.119 11.119 470 1HD PRO 71 HD2 PRO 71 7.649 9.858 9.858 471 2HD PRO 71 HD1 PRO 71 5.881 10.009 10.009 472 H LYS 72 HN LYS 72 8.486 15.037 15.037 473 HA LYS 72 HA LYS 72 11.220 13.927 13.927 474 1HB LYS 72 HB2 LYS 72 11.627 16.398 16.398 475 2HB LYS 72 HB1 LYS 72 11.203 15.046 15.046 476 1HG LYS 72 HG2 LYS 72 8.898 15.689 15.689 477 2HG LYS 72 HG1 LYS 72 9.118 16.841 16.841 478 1HD LYS 72 HD2 LYS 72 10.880 17.283 17.283 479 2HD LYS 72 HD1 LYS 72 9.161 17.523 17.523 480 1HE LYS 72 HE2 LYS 72 10.599 18.769 18.769 481 2HE LYS 72 HE1 LYS 72 10.378 19.590 19.590 482 1HZ LYS 72 HZ3 LYS 72 7.952 18.434 18.434 483 2HZ LYS 72 HZ2 LYS 72 8.602 19.547 19.547 484 3HZ LYS 72 HZ1 LYS 72 8.267 20.026 20.026 485 H GLU 73 HN GLU 73 9.703 14.640 14.640 486 HA GLU 73 HA GLU 73 11.781 16.378 16.378 487 1HB GLU 73 HB2 GLU 73 10.252 18.024 18.024 488 2HB GLU 73 HB1 GLU 73 9.919 17.887 17.887 489 1HG GLU 73 HG2 GLU 73 7.803 17.243 17.243 490 2HG GLU 73 HG1 GLU 73 8.357 15.936 15.936 491 H ALA 74 HN ALA 74 10.112 16.785 16.785 492 HA ALA 74 HA ALA 74 10.283 14.026 14.026 493 1HB ALA 74 HB2 ALA 74 11.252 16.358 16.358 494 2HB ALA 74 HB1 ALA 74 9.671 16.286 16.286 495 3HB ALA 74 HB3 ALA 74 10.817 14.961 14.961 496 H GLY 75 HN GLY 75 8.374 12.926 12.926 497 1HA GLY 75 HA2 GLY 75 5.926 14.369 14.369 498 2HA GLY 75 HA1 GLY 75 5.960 13.803 13.803 499 H ASP 76 HN ASP 76 4.063 12.942 12.942 500 HA ASP 76 HA ASP 76 4.853 10.093 10.093 501 1HB ASP 76 HB2 ASP 76 2.739 10.170 10.170 502 2HB ASP 76 HB1 ASP 76 4.193 10.966 10.966 503 H TYR 77 HN TYR 77 3.179 8.540 8.540 504 HA TYR 77 HA TYR 77 1.509 9.606 9.606 505 1HB TYR 77 HB2 TYR 77 2.212 6.710 6.710 506 2HB TYR 77 HB1 TYR 77 1.705 7.554 7.554 507 HD1 TYR 77 HD2 TYR 77 3.459 9.966 9.966 508 HD2 TYR 77 HD1 TYR 77 4.265 5.793 5.793 509 HE1 TYR 77 HE2 TYR 77 5.799 10.328 10.328 510 HE2 TYR 77 HE1 TYR 77 6.604 6.142 6.142 511 HH TYR 77 HH TYR 77 8.086 7.602 7.602 512 H VAL 78 HN VAL 78 -0.595 9.217 9.217 513 HA VAL 78 HA VAL 78 -1.725 7.529 7.529 514 HB VAL 78 HB VAL 78 -2.618 9.672 9.672 515 1HG1 VAL 78 HG12 VAL 78 -2.359 9.869 9.869 516 2HG1 VAL 78 HG11 VAL 78 -3.692 10.768 10.768 517 3HG1 VAL 78 HG13 VAL 78 -2.035 11.080 11.080 518 1HG2 VAL 78 HG23 VAL 78 -4.513 8.229 8.229 519 2HG2 VAL 78 HG22 VAL 78 -4.386 7.997 7.997 520 3HG2 VAL 78 HG21 VAL 78 -4.980 9.527 9.527 521 H ILE 79 HN ILE 79 -2.746 5.738 5.738 522 HA ILE 79 HA ILE 79 -3.110 5.544 5.544 523 HB ILE 79 HB ILE 79 -3.131 3.047 3.047 524 1HG1 ILE 79 HG12 ILE 79 -0.450 3.330 3.330 525 2HG1 ILE 79 HG11 ILE 79 -0.890 5.008 5.008 526 1HG2 ILE 79 HG23 ILE 79 -3.113 3.335 3.335 527 2HG2 ILE 79 HG22 ILE 79 -1.444 3.880 3.880 528 3HG2 ILE 79 HG21 ILE 79 -1.890 2.245 2.245 529 1HD1 ILE 79 HD13 ILE 79 -2.401 3.938 3.938 530 2HD1 ILE 79 HD12 ILE 79 -1.273 2.591 2.591 531 3HD1 ILE 79 HD11 ILE 79 -0.681 4.195 4.195 532 H ASN 80 HN ASN 80 -4.775 4.282 4.282 533 HA ASN 80 HA ASN 80 -7.098 3.745 3.745 534 1HB ASN 80 HB2 ASN 80 -7.494 5.470 5.470 535 2HB ASN 80 HB1 ASN 80 -8.574 5.217 5.217 536 1HD2 ASN 80 HD22 ASN 80 -6.768 7.492 7.492 537 2HD2 ASN 80 HD21 ASN 80 -7.632 6.031 6.031 538 H LEU 81 HN LEU 81 -7.526 1.718 1.718 539 HA LEU 81 HA LEU 81 -7.708 1.073 1.073 540 1HB LEU 81 HB2 LEU 81 -5.561 0.167 0.167 541 2HB LEU 81 HB1 LEU 81 -6.136 -0.442 -0.442 542 HG LEU 81 HG LEU 81 -5.800 -2.081 -2.081 543 1HD1 LEU 81 HD13 LEU 81 -6.987 -2.329 -2.329 544 2HD1 LEU 81 HD12 LEU 81 -8.459 -2.329 -2.329 545 3HD1 LEU 81 HD11 LEU 81 -7.220 -3.556 -3.556 546 1HD2 LEU 81 HD21 LEU 81 -7.684 -0.377 -0.377 547 2HD2 LEU 81 HD23 LEU 81 -7.254 -1.979 -1.979 548 3HD2 LEU 81 HD22 LEU 81 -8.629 -1.774 -1.774 549 H THR 82 HN THR 82 -9.771 0.467 0.467 550 HA THR 82 HA THR 82 -11.039 -1.063 -1.063 551 HB THR 82 HB THR 82 -13.153 0.227 0.227 552 HG1 THR 82 HG1 THR 82 -11.432 1.128 1.128 553 1HG2 THR 82 HG23 THR 82 -11.501 0.600 0.600 554 2HG2 THR 82 HG22 THR 82 -11.076 2.057 2.057 555 3HG2 THR 82 HG21 THR 82 -12.739 1.798 1.798 556 H LEU 83 HN LEU 83 -12.192 -2.829 -2.829 557 HA LEU 83 HA LEU 83 -13.084 -3.140 -3.140 558 1HB LEU 83 HB2 LEU 83 -10.877 -4.349 -4.349 559 2HB LEU 83 HB1 LEU 83 -11.729 -5.409 -5.409 560 HG LEU 83 HG LEU 83 -11.497 -6.185 -6.185 561 1HD1 LEU 83 HD12 LEU 83 -13.065 -7.063 -7.063 562 2HD1 LEU 83 HD11 LEU 83 -14.326 -6.115 -6.115 563 3HD1 LEU 83 HD13 LEU 83 -13.513 -7.407 -7.407 564 1HD2 LEU 83 HD21 LEU 83 -12.291 -3.936 -3.936 565 2HD2 LEU 83 HD23 LEU 83 -13.174 -5.324 -5.324 566 3HD2 LEU 83 HD22 LEU 83 -13.891 -4.329 -4.329 567 H ASP 84 HN ASP 84 -15.100 -2.557 -2.557 568 HA ASP 84 HA ASP 84 -17.129 -4.182 -4.182 569 1HB ASP 84 HB2 ASP 84 -15.402 -4.992 -4.992 570 2HB ASP 84 HB1 ASP 84 -17.156 -5.093 -5.093 571 H GLY 85 HN GLY 85 -15.313 -1.866 -1.866 572 1HA GLY 85 HA2 GLY 85 -16.731 0.267 0.267 573 2HA GLY 85 HA1 GLY 85 -17.802 -0.787 -0.787 574 H ASP 86 HN ASP 86 -14.686 -1.915 -1.915 575 HA ASP 86 HA ASP 86 -14.304 -0.104 -0.104 576 1HB ASP 86 HB2 ASP 86 -14.670 -3.026 -3.026 577 2HB ASP 86 HB1 ASP 86 -13.230 -2.525 -2.525 578 H ASN 87 HN ASN 87 -11.908 -0.243 -0.243 579 HA ASN 87 HA ASN 87 -10.231 -0.420 -0.420 580 1HB ASN 87 HB2 ASN 87 -9.386 0.710 0.710 581 2HB ASN 87 HB1 ASN 87 -8.692 1.036 1.036 582 1HD2 ASN 87 HD22 ASN 87 -10.909 3.682 3.682 583 2HD2 ASN 87 HD21 ASN 87 -9.506 2.834 2.834 584 H VAL 88 HN VAL 88 -8.136 -1.501 -1.501 585 HA VAL 88 HA VAL 88 -8.317 -4.022 -4.022 586 HB VAL 88 HB VAL 88 -6.183 -2.593 -2.593 587 1HG1 VAL 88 HG13 VAL 88 -4.997 -3.646 -3.646 588 2HG1 VAL 88 HG12 VAL 88 -5.721 -5.193 -5.193 589 3HG1 VAL 88 HG11 VAL 88 -4.591 -4.406 -4.406 590 1HG2 VAL 88 HG21 VAL 88 -8.056 -3.982 -3.982 591 2HG2 VAL 88 HG23 VAL 88 -6.432 -4.497 -4.497 592 3HG2 VAL 88 HG22 VAL 88 -7.325 -5.384 -5.384 593 H ASN 89 HN ASN 89 -6.427 -4.724 -4.724 594 HA ASN 89 HA ASN 89 -6.606 -2.910 -2.910 595 1HB ASN 89 HB2 ASN 89 -6.119 -5.683 -5.683 596 2HB ASN 89 HB1 ASN 89 -4.752 -5.023 -5.023 597 1HD2 ASN 89 HD22 ASN 89 -6.771 -5.411 -5.411 598 2HD2 ASN 89 HD21 ASN 89 -5.381 -5.927 -5.927 599 H GLY 90 HN GLY 90 -4.873 -2.172 -2.172 600 1HA GLY 90 HA2 GLY 90 -2.615 -1.192 -1.192 601 2HA GLY 90 HA1 GLY 90 -2.188 -2.177 -2.177 602 H PHE 91 HN PHE 91 -5.029 -0.323 -0.323 603 HA PHE 91 HA PHE 91 -3.523 1.544 1.544 604 1HB PHE 91 HB2 PHE 91 -6.033 0.063 0.063 605 2HB PHE 91 HB1 PHE 91 -6.083 1.734 1.734 606 HD1 PHE 91 HD1 PHE 91 -4.266 -1.477 -1.477 607 HD2 PHE 91 HD2 PHE 91 -4.840 2.415 2.415 608 HE1 PHE 91 HE1 PHE 91 -2.907 -2.112 -2.112 609 HE2 PHE 91 HE2 PHE 91 -3.488 1.806 1.806 610 HZ PHE 91 HZ PHE 91 -2.533 -0.486 -0.486 611 HA PRO 92 HA PRO 92 -6.602 4.406 4.406 612 1HB PRO 92 HB2 PRO 92 -7.663 3.573 3.573 613 2HB PRO 92 HB1 PRO 92 -8.491 3.390 3.390 614 1HG PRO 92 HG2 PRO 92 -7.122 1.321 1.321 615 2HG PRO 92 HG1 PRO 92 -8.443 1.134 1.134 616 1HD PRO 92 HD2 PRO 92 -5.733 0.526 0.526 617 2HD PRO 92 HD1 PRO 92 -6.984 0.677 0.677 618 H LYS 93 HN LYS 93 -3.892 2.943 2.943 619 HA LYS 93 HA LYS 93 -3.314 4.433 4.433 620 1HB LYS 93 HB2 LYS 93 -2.766 1.918 1.918 621 2HB LYS 93 HB1 LYS 93 -1.487 2.478 2.478 622 1HG LYS 93 HG2 LYS 93 -0.236 3.349 3.349 623 2HG LYS 93 HG1 LYS 93 -1.657 3.838 3.838 624 1HD LYS 93 HD2 LYS 93 -1.879 1.777 1.777 625 2HD LYS 93 HD1 LYS 93 -1.150 0.912 0.912 626 1HE LYS 93 HE2 LYS 93 0.842 0.942 0.942 627 2HE LYS 93 HE1 LYS 93 0.806 2.705 2.705 628 1HZ LYS 93 HZ1 LYS 93 -0.571 2.572 2.572 629 2HZ LYS 93 HZ3 LYS 93 -0.395 0.884 0.884 630 3HZ LYS 93 HZ2 LYS 93 0.965 1.878 1.878 631 H THR 94 HN THR 94 -0.912 5.234 5.234 632 HA THR 94 HA THR 94 -0.497 6.572 6.572 633 HB THR 94 HB THR 94 0.041 7.838 7.838 634 HG1 THR 94 HG1 THR 94 -2.231 7.316 7.316 635 1HG2 THR 94 HG21 THR 94 1.103 8.528 8.528 636 2HG2 THR 94 HG23 THR 94 -0.471 9.282 9.282 637 3HG2 THR 94 HG22 THR 94 0.526 9.760 9.760 638 H VAL 95 HN VAL 95 1.506 6.364 6.364 639 HA VAL 95 HA VAL 95 3.513 5.148 5.148 640 HB VAL 95 HB VAL 95 3.235 5.229 5.229 641 1HG1 VAL 95 HG12 VAL 95 5.783 4.859 4.859 642 2HG1 VAL 95 HG11 VAL 95 5.553 4.153 4.153 643 3HG1 VAL 95 HG13 VAL 95 5.508 5.901 5.901 644 1HG2 VAL 95 HG21 VAL 95 3.000 3.320 3.320 645 2HG2 VAL 95 HG23 VAL 95 2.672 3.095 3.095 646 3HG2 VAL 95 HG22 VAL 95 4.296 2.817 2.817 647 H THR 96 HN THR 96 5.704 6.135 6.135 648 HA THR 96 HA THR 96 5.501 9.060 9.060 649 HB THR 96 HB THR 96 6.839 7.630 7.630 650 HG1 THR 96 HG1 THR 96 4.839 9.593 9.593 651 1HG2 THR 96 HG23 THR 96 7.268 10.271 10.271 652 2HG2 THR 96 HG22 THR 96 6.760 10.362 10.362 653 3HG2 THR 96 HG21 THR 96 8.192 9.432 9.432 654 H VAL 97 HN VAL 97 7.187 10.152 10.152 655 HA VAL 97 HA VAL 97 9.759 8.745 8.745 656 HB VAL 97 HB VAL 97 8.004 10.142 10.142 657 1HG1 VAL 97 HG13 VAL 97 11.022 9.981 9.981 658 2HG1 VAL 97 HG12 VAL 97 10.048 10.291 10.291 659 3HG1 VAL 97 HG11 VAL 97 10.036 11.440 11.440 660 1HG2 VAL 97 HG22 VAL 97 9.651 7.636 7.636 661 2HG2 VAL 97 HG21 VAL 97 7.964 7.809 7.809 662 3HG2 VAL 97 HG23 VAL 97 9.248 8.304 8.304 663 H LYS 98 HN LYS 98 11.550 10.114 10.114 664 HA LYS 98 HA LYS 98 10.954 12.674 12.674 665 1HB LYS 98 HB2 LYS 98 13.756 11.730 11.730 666 2HB LYS 98 HB1 LYS 98 12.878 12.305 12.305 667 1HG LYS 98 HG2 LYS 98 11.559 9.979 9.979 668 2HG LYS 98 HG1 LYS 98 13.153 9.547 9.547 669 1HD LYS 98 HD2 LYS 98 14.185 9.838 9.838 670 2HD LYS 98 HD1 LYS 98 12.946 10.956 10.956 671 1HE LYS 98 HE2 LYS 98 11.366 9.179 9.179 672 2HE LYS 98 HE1 LYS 98 12.394 8.030 8.030 673 1HZ LYS 98 HZ1 LYS 98 13.767 9.270 9.270 674 2HZ LYS 98 HZ3 LYS 98 12.358 8.492 8.492 675 3HZ LYS 98 HZ2 LYS 98 13.535 7.619 7.619 676 HA PRO 99 HA PRO 99 12.662 15.314 15.314 677 1HB PRO 99 HB2 PRO 99 14.999 16.439 16.439 678 2HB PRO 99 HB1 PRO 99 13.375 16.930 16.930 679 1HG PRO 99 HG2 PRO 99 15.388 15.270 15.270 680 2HG PRO 99 HG1 PRO 99 14.120 16.323 16.323 681 1HD PRO 99 HD2 PRO 99 13.991 13.538 13.538 682 2HD PRO 99 HD1 PRO 99 12.588 14.604 14.604 683 H ALA 100 HN ALA 100 13.029 13.607 13.607 684 HA ALA 100 HA ALA 100 15.040 11.860 11.860 685 1HB ALA 100 HB3 ALA 100 13.159 13.219 13.219 686 2HB ALA 100 HB2 ALA 100 14.700 13.233 13.233 687 3HB ALA 100 HB1 ALA 100 13.991 11.703 11.703 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 -18.327 -11.637 -11.637 2 2H ALA 1 HT3 ALA 1 -19.521 -11.204 -11.204 3 3H ALA 1 HT2 ALA 1 -18.542 -12.562 -12.562 4 HA ALA 1 HA ALA 1 -17.532 -11.032 -11.032 5 1HB ALA 1 HB2 ALA 1 -19.088 -9.209 -9.209 6 2HB ALA 1 HB1 ALA 1 -17.752 -8.878 -8.878 7 3HB ALA 1 HB3 ALA 1 -17.526 -8.704 -8.704 8 H ASP 2 HN ASP 2 -15.683 -9.085 -9.085 9 HA ASP 2 HA ASP 2 -13.869 -10.922 -10.922 10 1HB ASP 2 HB2 ASP 2 -13.039 -10.740 -10.740 11 2HB ASP 2 HB1 ASP 2 -13.235 -8.993 -8.993 12 HA PRO 3 HA PRO 3 -14.201 -6.762 -6.762 13 1HB PRO 3 HB2 PRO 3 -15.871 -7.467 -7.467 14 2HB PRO 3 HB1 PRO 3 -16.465 -6.780 -6.780 15 1HG PRO 3 HG2 PRO 3 -16.589 -9.606 -9.606 16 2HG PRO 3 HG1 PRO 3 -17.673 -8.749 -8.749 17 1HD PRO 3 HD2 PRO 3 -15.654 -10.573 -10.573 18 2HD PRO 3 HD1 PRO 3 -16.498 -9.430 -9.430 19 H GLU 4 HN GLU 4 -13.255 -9.914 -9.914 20 HA GLU 4 HA GLU 4 -11.712 -9.307 -9.307 21 1HB GLU 4 HB2 GLU 4 -13.932 -10.778 -10.778 22 2HB GLU 4 HB1 GLU 4 -12.809 -12.037 -12.037 23 1HG GLU 4 HG2 GLU 4 -11.495 -10.550 -10.550 24 2HG GLU 4 HG1 GLU 4 -13.124 -10.892 -10.892 25 H LYS 5 HN LYS 5 -11.369 -10.046 -10.046 26 HA LYS 5 HA LYS 5 -8.922 -11.638 -11.638 27 1HB LYS 5 HB2 LYS 5 -11.057 -12.303 -12.303 28 2HB LYS 5 HB1 LYS 5 -9.441 -13.011 -13.011 29 1HG LYS 5 HG2 LYS 5 -11.315 -13.147 -13.147 30 2HG LYS 5 HG1 LYS 5 -11.189 -14.420 -14.420 31 1HD LYS 5 HD2 LYS 5 -8.545 -13.696 -13.696 32 2HD LYS 5 HD1 LYS 5 -9.535 -14.026 -14.026 33 1HE LYS 5 HE2 LYS 5 -8.551 -16.115 -16.115 34 2HE LYS 5 HE1 LYS 5 -10.276 -16.166 -16.166 35 1HZ LYS 5 HZ1 LYS 5 -9.048 -15.006 -15.006 36 2HZ LYS 5 HZ3 LYS 5 -8.075 -16.332 -16.332 37 3HZ LYS 5 HZ2 LYS 5 -9.729 -16.560 -16.560 38 H SER 6 HN SER 6 -9.299 -8.884 -8.884 39 HA SER 6 HA SER 6 -8.215 -8.587 -8.587 40 1HB SER 6 HB2 SER 6 -9.360 -6.376 -6.376 41 2HB SER 6 HB1 SER 6 -9.079 -6.368 -6.368 42 HG SER 6 HG SER 6 -11.163 -7.408 -7.408 43 H TYR 7 HN TYR 7 -6.029 -8.364 -8.364 44 HA TYR 7 HA TYR 7 -4.899 -6.786 -6.786 45 1HB TYR 7 HB2 TYR 7 -2.833 -8.270 -8.270 46 2HB TYR 7 HB1 TYR 7 -4.240 -9.024 -9.024 47 HD1 TYR 7 HD1 TYR 7 -5.799 -10.426 -10.426 48 HD2 TYR 7 HD2 TYR 7 -2.017 -9.004 -9.004 49 HE1 TYR 7 HE1 TYR 7 -5.874 -12.101 -12.101 50 HE2 TYR 7 HE2 TYR 7 -2.094 -10.676 -10.676 51 HH TYR 7 HH TYR 7 -3.126 -12.665 -12.665 52 H ALA 8 HN ALA 8 -3.503 -5.173 -5.173 53 HA ALA 8 HA ALA 8 -2.565 -4.974 -4.974 54 1HB ALA 8 HB3 ALA 8 -4.051 -3.073 -3.073 55 2HB ALA 8 HB2 ALA 8 -2.495 -2.402 -2.402 56 3HB ALA 8 HB1 ALA 8 -3.622 -2.984 -2.984 57 H GLU 9 HN GLU 9 -0.354 -5.256 -5.256 58 HA GLU 9 HA GLU 9 1.198 -3.939 -3.939 59 1HB GLU 9 HB2 GLU 9 2.433 -5.900 -5.900 60 2HB GLU 9 HB1 GLU 9 0.739 -6.392 -6.392 61 1HG GLU 9 HG2 GLU 9 1.350 -8.032 -8.032 62 2HG GLU 9 HG1 GLU 9 1.517 -6.763 -6.763 63 H GLY 10 HN GLY 10 3.270 -3.326 -3.326 64 1HA GLY 10 HA2 GLY 10 4.429 -4.197 -4.197 65 2HA GLY 10 HA1 GLY 10 3.797 -2.556 -2.556 66 HA PRO 11 HA PRO 11 8.054 -2.407 -2.407 67 1HB PRO 11 HB2 PRO 11 9.354 -1.381 -1.381 68 2HB PRO 11 HB1 PRO 11 9.257 -3.117 -3.117 69 1HG PRO 11 HG2 PRO 11 7.795 -1.527 -1.527 70 2HG PRO 11 HG1 PRO 11 8.215 -3.246 -3.246 71 1HD PRO 11 HD2 PRO 11 5.670 -2.161 -2.161 72 2HD PRO 11 HD1 PRO 11 6.190 -3.831 -3.831 73 H GLY 12 HN GLY 12 5.557 -0.605 -0.605 74 1HA GLY 12 HA2 GLY 12 6.884 2.024 2.024 75 2HA GLY 12 HA1 GLY 12 5.415 1.797 1.797 76 H LEU 13 HN LEU 13 5.602 3.543 3.543 77 HA LEU 13 HA LEU 13 4.010 4.086 4.086 78 1HB LEU 13 HB2 LEU 13 2.133 2.880 2.880 79 2HB LEU 13 HB1 LEU 13 2.770 2.024 2.024 80 HG LEU 13 HG LEU 13 3.835 0.772 0.772 81 1HD1 LEU 13 HD11 LEU 13 0.892 1.396 1.396 82 2HD1 LEU 13 HD13 LEU 13 1.600 0.027 0.027 83 3HD1 LEU 13 HD12 LEU 13 2.093 1.672 1.672 84 1HD2 LEU 13 HD23 LEU 13 2.377 0.119 0.119 85 2HD2 LEU 13 HD22 LEU 13 3.470 -0.895 -0.895 86 3HD2 LEU 13 HD21 LEU 13 1.760 -0.805 -0.805 87 H ASP 14 HN ASP 14 6.500 1.891 1.891 88 HA ASP 14 HA ASP 14 6.422 1.141 1.141 89 1HB ASP 14 HB2 ASP 14 8.970 1.755 1.755 90 2HB ASP 14 HB1 ASP 14 8.655 0.485 0.485 91 H GLY 15 HN GLY 15 7.063 4.001 4.001 92 1HA GLY 15 HA2 GLY 15 7.343 6.207 6.207 93 2HA GLY 15 HA1 GLY 15 7.318 5.590 5.590 94 H GLY 16 HN GLY 16 9.120 6.163 6.163 95 1HA GLY 16 HA2 GLY 16 11.407 6.393 6.393 96 2HA GLY 16 HA1 GLY 16 11.687 5.186 5.186 97 H GLU 17 HN GLU 17 11.165 6.273 6.273 98 HA GLU 17 HA GLU 17 12.595 8.899 8.899 99 1HB GLU 17 HB2 GLU 17 13.036 6.472 6.472 100 2HB GLU 17 HB1 GLU 17 13.524 8.058 8.058 101 1HG GLU 17 HG2 GLU 17 15.467 7.414 7.414 102 2HG GLU 17 HG1 GLU 17 14.615 8.191 8.191 103 H CYS 18 HN CYS 18 11.923 10.405 10.405 104 HA CYS 18 HA CYS 18 9.319 9.968 9.968 105 1HB CYS 18 HB2 CYS 18 10.930 12.383 12.383 106 2HB CYS 18 HB1 CYS 18 9.891 12.486 12.486 107 HG CYS 18 HG CYS 18 8.778 12.938 12.938 108 H PHE 19 HN PHE 19 12.652 10.063 10.063 109 HA PHE 19 HA PHE 19 12.042 10.681 10.681 110 1HB PHE 19 HB2 PHE 19 14.631 10.270 10.270 111 2HB PHE 19 HB1 PHE 19 14.566 10.427 10.427 112 HD1 PHE 19 HD1 PHE 19 12.833 12.040 12.040 113 HD2 PHE 19 HD2 PHE 19 15.053 12.607 12.607 114 HE1 PHE 19 HE1 PHE 19 12.590 14.474 14.474 115 HE2 PHE 19 HE2 PHE 19 14.814 15.068 15.068 116 HZ PHE 19 HZ PHE 19 13.572 15.987 15.987 117 H GLN 20 HN GLN 20 11.492 8.039 8.039 118 HA GLN 20 HA GLN 20 12.787 6.202 6.202 119 1HB GLN 20 HB2 GLN 20 12.229 4.416 4.416 120 2HB GLN 20 HB1 GLN 20 12.761 5.721 5.721 121 1HG GLN 20 HG2 GLN 20 10.490 6.321 6.321 122 2HG GLN 20 HG1 GLN 20 9.855 5.231 5.231 123 1HE2 GLN 20 HE22 GLN 20 10.577 3.787 3.787 124 2HE2 GLN 20 HE21 GLN 20 10.564 5.446 5.446 125 HA PRO 21 HA PRO 21 9.049 6.012 6.012 126 1HB PRO 21 HB2 PRO 21 9.140 3.410 3.410 127 2HB PRO 21 HB1 PRO 21 10.126 4.720 4.720 128 1HG PRO 21 HG2 PRO 21 10.942 2.506 2.506 129 2HG PRO 21 HG1 PRO 21 11.903 3.374 3.374 130 1HD PRO 21 HD2 PRO 21 12.007 3.836 3.836 131 2HD PRO 21 HD1 PRO 21 12.580 4.967 4.967 132 H SER 22 HN SER 22 6.996 5.882 5.882 133 HA SER 22 HA SER 22 6.595 3.695 3.695 134 1HB SER 22 HB2 SER 22 6.079 6.401 6.401 135 2HB SER 22 HB1 SER 22 4.507 5.696 5.696 136 HG SER 22 HG SER 22 5.647 5.839 5.839 137 H LYS 23 HN LYS 23 5.735 1.934 1.934 138 HA LYS 23 HA LYS 23 3.260 2.284 2.284 139 1HB LYS 23 HB2 LYS 23 5.460 0.606 0.606 140 2HB LYS 23 HB1 LYS 23 4.058 1.306 1.306 141 1HG LYS 23 HG2 LYS 23 5.048 3.584 3.584 142 2HG LYS 23 HG1 LYS 23 6.506 2.777 2.777 143 1HD LYS 23 HD2 LYS 23 6.677 1.625 1.625 144 2HD LYS 23 HD1 LYS 23 5.274 2.538 2.538 145 1HE LYS 23 HE2 LYS 23 6.909 4.514 4.514 146 2HE LYS 23 HE1 LYS 23 8.063 3.402 3.402 147 1HZ LYS 23 HZ2 LYS 23 5.928 3.639 3.639 148 2HZ LYS 23 HZ1 LYS 23 6.320 5.218 5.218 149 3HZ LYS 23 HZ3 LYS 23 7.509 4.228 4.228 150 H PHE 24 HN PHE 24 1.907 0.573 0.573 151 HA PHE 24 HA PHE 24 3.051 -1.976 -1.976 152 1HB PHE 24 HB2 PHE 24 0.618 -1.581 -1.581 153 2HB PHE 24 HB1 PHE 24 2.240 -1.782 -1.782 154 HD1 PHE 24 HD2 PHE 24 3.763 0.385 0.385 155 HD2 PHE 24 HD1 PHE 24 -0.517 0.356 0.356 156 HE1 PHE 24 HE2 PHE 24 3.807 2.758 2.758 157 HE2 PHE 24 HE1 PHE 24 -0.473 2.739 2.739 158 HZ PHE 24 HZ PHE 24 1.699 3.920 3.920 159 H LYS 25 HN LYS 25 1.530 -3.783 -3.783 160 HA LYS 25 HA LYS 25 -0.506 -3.244 -3.244 161 1HB LYS 25 HB2 LYS 25 1.122 -5.747 -5.747 162 2HB LYS 25 HB1 LYS 25 -0.136 -5.627 -5.627 163 1HG LYS 25 HG2 LYS 25 1.406 -4.836 -4.836 164 2HG LYS 25 HG1 LYS 25 1.565 -3.408 -3.408 165 1HD LYS 25 HD2 LYS 25 3.459 -4.203 -4.203 166 2HD LYS 25 HD1 LYS 25 2.993 -5.891 -5.891 167 1HE LYS 25 HE2 LYS 25 4.513 -5.912 -5.912 168 2HE LYS 25 HE1 LYS 25 3.286 -5.045 -5.045 169 1HZ LYS 25 HZ1 LYS 25 4.770 -3.310 -3.310 170 2HZ LYS 25 HZ3 LYS 25 5.784 -4.130 -4.130 171 3HZ LYS 25 HZ2 LYS 25 4.490 -3.197 -3.197 172 H ILE 26 HN ILE 26 -2.584 -4.115 -4.115 173 HA ILE 26 HA ILE 26 -2.991 -5.283 -5.283 174 HB ILE 26 HB ILE 26 -5.134 -3.903 -3.903 175 1HG1 ILE 26 HG12 ILE 26 -2.935 -2.656 -2.656 176 2HG1 ILE 26 HG11 ILE 26 -3.326 -2.308 -2.308 177 1HG2 ILE 26 HG21 ILE 26 -4.718 -4.935 -4.935 178 2HG2 ILE 26 HG23 ILE 26 -5.358 -3.294 -3.294 179 3HG2 ILE 26 HG22 ILE 26 -6.222 -4.588 -4.588 180 1HD1 ILE 26 HD13 ILE 26 -5.704 -1.920 -1.920 181 2HD1 ILE 26 HD12 ILE 26 -4.405 -1.097 -1.097 182 3HD1 ILE 26 HD11 ILE 26 -4.734 -0.700 -0.700 183 H HIS 27 HN HIS 27 -4.632 -6.894 -6.894 184 HA HIS 27 HA HIS 27 -5.611 -8.135 -8.135 185 1HB HIS 27 HB2 HIS 27 -4.374 -9.942 -9.942 186 2HB HIS 27 HB1 HIS 27 -4.604 -10.207 -10.207 187 HD1 HIS 27 HD1 HIS 27 -2.557 -7.940 -7.940 188 HD2 HIS 27 HD2 HIS 27 -2.322 -9.721 -9.721 189 HE1 HIS 27 HE1 HIS 27 -0.260 -7.396 -7.396 190 H ALA 28 HN ALA 28 -7.751 -8.298 -8.298 191 HA ALA 28 HA ALA 28 -8.825 -8.662 -8.662 192 1HB ALA 28 HB1 ALA 28 -9.931 -7.956 -7.956 193 2HB ALA 28 HB3 ALA 28 -11.024 -8.688 -8.688 194 3HB ALA 28 HB2 ALA 28 -10.196 -7.180 -7.180 195 H VAL 29 HN VAL 29 -9.926 -10.569 -10.569 196 HA VAL 29 HA VAL 29 -10.016 -12.804 -12.804 197 HB VAL 29 HB VAL 29 -8.838 -12.775 -12.775 198 1HG1 VAL 29 HG12 VAL 29 -10.291 -15.118 -15.118 199 2HG1 VAL 29 HG11 VAL 29 -9.131 -15.295 -15.295 200 3HG1 VAL 29 HG13 VAL 29 -10.625 -14.391 -14.391 201 1HG2 VAL 29 HG21 VAL 29 -7.796 -12.989 -12.989 202 2HG2 VAL 29 HG23 VAL 29 -7.045 -13.712 -13.712 203 3HG2 VAL 29 HG22 VAL 29 -8.061 -14.693 -14.693 204 H ASP 30 HN ASP 30 -12.025 -13.483 -13.483 205 HA ASP 30 HA ASP 30 -14.030 -12.787 -12.787 206 1HB ASP 30 HB2 ASP 30 -15.532 -12.510 -12.510 207 2HB ASP 30 HB1 ASP 30 -14.061 -12.251 -12.251 208 HA PRO 31 HA PRO 31 -14.872 -16.992 -16.992 209 1HB PRO 31 HB2 PRO 31 -17.577 -17.311 -17.311 210 2HB PRO 31 HB1 PRO 31 -16.866 -16.420 -16.420 211 1HG PRO 31 HG2 PRO 31 -18.244 -15.364 -15.364 212 2HG PRO 31 HG1 PRO 31 -18.056 -14.623 -14.623 213 1HD PRO 31 HD2 PRO 31 -16.564 -13.991 -13.991 214 2HD PRO 31 HD1 PRO 31 -16.198 -13.463 -13.463 215 H ASP 32 HN ASP 32 -14.481 -16.328 -16.328 216 HA ASP 32 HA ASP 32 -15.619 -18.952 -18.952 217 1HB ASP 32 HB2 ASP 32 -15.060 -16.443 -16.443 218 2HB ASP 32 HB1 ASP 32 -15.618 -17.974 -17.974 219 H GLY 33 HN GLY 33 -12.867 -17.778 -17.778 220 1HA GLY 33 HA2 GLY 33 -10.621 -18.440 -18.440 221 2HA GLY 33 HA1 GLY 33 -11.190 -19.650 -19.650 222 H VAL 34 HN VAL 34 -11.845 -16.210 -16.210 223 HA VAL 34 HA VAL 34 -10.029 -15.800 -15.800 224 HB VAL 34 HB VAL 34 -12.852 -14.884 -14.884 225 1HG1 VAL 34 HG13 VAL 34 -10.489 -15.067 -15.067 226 2HG1 VAL 34 HG12 VAL 34 -11.613 -16.236 -16.236 227 3HG1 VAL 34 HG11 VAL 34 -12.080 -14.542 -14.542 228 1HG2 VAL 34 HG23 VAL 34 -11.961 -17.772 -17.772 229 2HG2 VAL 34 HG22 VAL 34 -13.383 -17.107 -17.107 230 3HG2 VAL 34 HG21 VAL 34 -13.312 -17.165 -17.165 231 H HIS 35 HN HIS 35 -10.958 -13.337 -13.337 232 HA HIS 35 HA HIS 35 -10.565 -11.727 -11.727 233 1HB HIS 35 HB2 HIS 35 -10.117 -11.183 -11.183 234 2HB HIS 35 HB1 HIS 35 -10.163 -9.874 -9.874 235 HD1 HIS 35 HD1 HIS 35 -8.239 -13.050 -13.050 236 HD2 HIS 35 HD2 HIS 35 -7.874 -9.641 -9.641 237 HE1 HIS 35 HE1 HIS 35 -5.891 -13.090 -13.090 238 H ARG 36 HN ARG 36 -13.052 -12.645 -12.645 239 HA ARG 36 HA ARG 36 -15.318 -12.076 -12.076 240 1HB ARG 36 HB2 ARG 36 -13.796 -9.632 -9.632 241 2HB ARG 36 HB1 ARG 36 -15.332 -9.311 -9.311 242 1HG ARG 36 HG2 ARG 36 -16.289 -11.003 -11.003 243 2HG ARG 36 HG1 ARG 36 -14.833 -10.583 -10.583 244 1HD ARG 36 HD2 ARG 36 -16.042 -8.815 -8.815 245 2HD ARG 36 HD1 ARG 36 -15.729 -8.112 -8.112 246 HE ARG 36 HE ARG 36 -18.059 -9.830 -9.830 247 1HH1 ARG 36 HH11 ARG 36 -17.203 -7.057 -7.057 248 2HH1 ARG 36 HH12 ARG 36 -18.571 -6.122 -6.122 249 1HH2 ARG 36 HH21 ARG 36 -19.688 -8.486 -8.486 250 2HH2 ARG 36 HH22 ARG 36 -19.979 -6.931 -6.931 251 H THR 37 HN THR 37 -14.779 -13.090 -13.090 252 HA THR 37 HA THR 37 -15.149 -12.983 -12.983 253 HB THR 37 HB THR 37 -17.138 -10.815 -10.815 254 HG1 THR 37 HG1 THR 37 -18.268 -13.201 -13.201 255 1HG2 THR 37 HG21 THR 37 -16.913 -12.928 -12.928 256 2HG2 THR 37 HG23 THR 37 -18.418 -12.072 -12.072 257 3HG2 THR 37 HG22 THR 37 -16.995 -11.178 -11.178 258 H ASP 38 HN ASP 38 -13.143 -12.027 -12.027 259 HA ASP 38 HA ASP 38 -12.240 -9.438 -9.438 260 1HB ASP 38 HB2 ASP 38 -11.468 -11.577 -11.577 261 2HB ASP 38 HB1 ASP 38 -11.855 -10.339 -10.339 262 H GLY 39 HN GLY 39 -12.060 -7.807 -7.807 263 1HA GLY 39 HA2 GLY 39 -13.267 -6.090 -6.090 264 2HA GLY 39 HA1 GLY 39 -14.106 -7.428 -7.428 265 H GLY 40 HN GLY 40 -14.104 -6.131 -6.131 266 1HA GLY 40 HA2 GLY 40 -16.514 -4.891 -4.891 267 2HA GLY 40 HA1 GLY 40 -17.001 -6.585 -6.585 268 H ASP 41 HN ASP 41 -14.487 -4.616 -4.616 269 HA ASP 41 HA ASP 41 -15.284 -6.049 -6.049 270 1HB ASP 41 HB2 ASP 41 -12.530 -5.337 -5.337 271 2HB ASP 41 HB1 ASP 41 -12.820 -5.618 -5.618 272 H GLY 42 HN GLY 42 -15.977 -4.666 -4.666 273 1HA GLY 42 HA2 GLY 42 -15.953 -1.805 -1.805 274 2HA GLY 42 HA1 GLY 42 -16.451 -2.620 -2.620 275 H PHE 43 HN PHE 43 -13.458 -2.089 -2.089 276 HA PHE 43 HA PHE 43 -11.943 -1.985 -1.985 277 1HB PHE 43 HB2 PHE 43 -11.428 -2.991 -2.991 278 2HB PHE 43 HB1 PHE 43 -10.306 -1.661 -1.661 279 HD1 PHE 43 HD1 PHE 43 -9.814 -1.806 -1.806 280 HD2 PHE 43 HD2 PHE 43 -10.215 -4.943 -4.943 281 HE1 PHE 43 HE1 PHE 43 -8.392 -3.294 -3.294 282 HE2 PHE 43 HE2 PHE 43 -8.784 -6.415 -6.415 283 HZ PHE 43 HZ PHE 43 -7.877 -5.593 -5.593 284 H VAL 44 HN VAL 44 -11.553 -0.022 -0.022 285 HA VAL 44 HA VAL 44 -10.982 2.234 2.234 286 HB VAL 44 HB VAL 44 -12.991 3.111 3.111 287 1HG1 VAL 44 HG11 VAL 44 -12.836 0.986 0.986 288 2HG1 VAL 44 HG13 VAL 44 -13.605 2.445 2.445 289 3HG1 VAL 44 HG12 VAL 44 -14.239 1.653 1.653 290 1HG2 VAL 44 HG23 VAL 44 -11.285 4.570 4.570 291 2HG2 VAL 44 HG22 VAL 44 -12.792 4.552 4.552 292 3HG2 VAL 44 HG21 VAL 44 -11.408 3.614 3.614 293 H VAL 45 HN VAL 45 -8.894 2.714 2.714 294 HA VAL 45 HA VAL 45 -7.858 2.548 2.548 295 HB VAL 45 HB VAL 45 -6.121 2.315 2.315 296 1HG1 VAL 45 HG13 VAL 45 -5.957 1.552 1.552 297 2HG1 VAL 45 HG12 VAL 45 -4.884 0.818 0.818 298 3HG1 VAL 45 HG11 VAL 45 -4.855 2.561 2.561 299 1HG2 VAL 45 HG22 VAL 45 -8.194 0.481 0.481 300 2HG2 VAL 45 HG21 VAL 45 -7.010 0.339 0.339 301 3HG2 VAL 45 HG23 VAL 45 -6.632 -0.269 -0.269 302 H THR 46 HN THR 46 -6.344 4.204 4.204 303 HA THR 46 HA THR 46 -5.759 6.336 6.336 304 HB THR 46 HB THR 46 -6.977 7.825 7.825 305 HG1 THR 46 HG1 THR 46 -9.163 6.902 6.902 306 1HG2 THR 46 HG21 THR 46 -7.274 7.300 7.300 307 2HG2 THR 46 HG23 THR 46 -8.763 7.841 7.841 308 3HG2 THR 46 HG22 THR 46 -7.307 8.831 8.831 309 H ILE 47 HN ILE 47 -3.909 7.269 7.269 310 HA ILE 47 HA ILE 47 -2.986 7.117 7.117 311 HB ILE 47 HB ILE 47 -1.507 6.628 6.628 312 1HG1 ILE 47 HG12 ILE 47 -2.083 5.201 5.201 313 2HG1 ILE 47 HG11 ILE 47 -1.610 4.558 4.558 314 1HG2 ILE 47 HG23 ILE 47 -0.264 7.680 7.680 315 2HG2 ILE 47 HG22 ILE 47 0.638 7.052 7.052 316 3HG2 ILE 47 HG21 ILE 47 -0.314 8.518 8.518 317 1HD1 ILE 47 HD12 ILE 47 0.747 5.451 5.451 318 2HD1 ILE 47 HD11 ILE 47 0.185 5.619 5.619 319 3HD1 ILE 47 HD13 ILE 47 0.221 4.028 4.028 320 H GLU 48 HN GLU 48 -1.653 8.935 8.935 321 HA GLU 48 HA GLU 48 -1.142 11.081 11.081 322 1HB GLU 48 HB2 GLU 48 -2.788 12.655 12.655 323 2HB GLU 48 HB1 GLU 48 -3.271 11.921 11.921 324 1HG GLU 48 HG2 GLU 48 -4.328 10.074 10.074 325 2HG GLU 48 HG1 GLU 48 -3.695 10.618 10.618 326 H GLY 49 HN GLY 49 -0.136 12.879 12.879 327 1HA GLY 49 HA2 GLY 49 0.427 12.950 12.950 328 2HA GLY 49 HA1 GLY 49 1.809 12.448 12.448 329 HA PRO 50 HA PRO 50 1.627 17.080 17.080 330 1HB PRO 50 HB2 PRO 50 4.187 17.453 17.453 331 2HB PRO 50 HB1 PRO 50 2.769 17.332 17.332 332 1HG PRO 50 HG2 PRO 50 4.897 15.309 15.309 333 2HG PRO 50 HG1 PRO 50 3.897 15.530 15.530 334 1HD PRO 50 HD2 PRO 50 3.497 13.562 13.562 335 2HD PRO 50 HD1 PRO 50 2.310 14.048 14.048 336 H ALA 51 HN ALA 51 1.682 16.225 16.225 337 HA ALA 51 HA ALA 51 4.154 17.202 17.202 338 1HB ALA 51 HB2 ALA 51 3.967 14.483 14.483 339 2HB ALA 51 HB1 ALA 51 3.410 14.609 14.609 340 3HB ALA 51 HB3 ALA 51 5.003 15.220 15.220 341 HA PRO 52 HA PRO 52 1.425 18.152 18.152 342 1HB PRO 52 HB2 PRO 52 2.844 17.446 17.446 343 2HB PRO 52 HB1 PRO 52 3.225 18.860 18.860 344 1HG PRO 52 HG2 PRO 52 4.650 16.246 16.246 345 2HG PRO 52 HG1 PRO 52 5.279 17.839 17.839 346 1HD PRO 52 HD2 PRO 52 4.627 15.752 15.752 347 2HD PRO 52 HD1 PRO 52 4.936 17.446 17.446 348 H VAL 53 HN VAL 53 2.957 15.036 15.036 349 HA VAL 53 HA VAL 53 0.397 14.109 14.109 350 HB VAL 53 HB VAL 53 3.081 12.705 12.705 351 1HG1 VAL 53 HG11 VAL 53 0.483 11.781 11.781 352 2HG1 VAL 53 HG13 VAL 53 1.454 11.860 11.860 353 3HG1 VAL 53 HG12 VAL 53 2.013 10.908 10.908 354 1HG2 VAL 53 HG23 VAL 53 2.334 14.923 14.923 355 2HG2 VAL 53 HG22 VAL 53 3.759 13.903 13.903 356 3HG2 VAL 53 HG21 VAL 53 2.271 13.532 13.532 357 H ASP 54 HN ASP 54 -0.609 14.163 14.163 358 HA ASP 54 HA ASP 54 0.367 12.040 12.040 359 1HB ASP 54 HB2 ASP 54 -1.827 14.103 14.103 360 2HB ASP 54 HB1 ASP 54 -1.528 12.854 12.854 361 HA PRO 55 HA PRO 55 -3.908 10.223 10.223 362 1HB PRO 55 HB2 PRO 55 -5.340 11.391 11.391 363 2HB PRO 55 HB1 PRO 55 -5.481 11.878 11.878 364 1HG PRO 55 HG2 PRO 55 -4.132 13.291 13.291 365 2HG PRO 55 HG1 PRO 55 -4.815 13.955 13.955 366 1HD PRO 55 HD2 PRO 55 -2.063 13.484 13.484 367 2HD PRO 55 HD1 PRO 55 -2.788 13.894 13.894 368 H VAL 56 HN VAL 56 -2.527 8.542 8.542 369 HA VAL 56 HA VAL 56 -2.591 8.545 8.545 370 HB VAL 56 HB VAL 56 -0.369 7.432 7.432 371 1HG1 VAL 56 HG13 VAL 56 -1.051 7.562 7.562 372 2HG1 VAL 56 HG12 VAL 56 0.576 8.148 8.148 373 3HG1 VAL 56 HG11 VAL 56 0.106 6.520 6.520 374 1HG2 VAL 56 HG22 VAL 56 -0.643 10.166 10.166 375 2HG2 VAL 56 HG21 VAL 56 -0.394 9.824 9.824 376 3HG2 VAL 56 HG23 VAL 56 0.895 9.501 9.501 377 H MET 57 HN MET 57 -4.377 7.041 7.041 378 HA MET 57 HA MET 57 -3.487 4.314 4.314 379 1HB MET 57 HB2 MET 57 -5.472 3.782 3.782 380 2HB MET 57 HB1 MET 57 -4.922 5.325 5.325 381 1HG MET 57 HG2 MET 57 -7.022 6.061 6.061 382 2HG MET 57 HG1 MET 57 -6.516 6.089 6.089 383 1HE MET 57 HE2 MET 57 -9.018 6.259 6.259 384 2HE MET 57 HE1 MET 57 -9.830 5.042 5.042 385 3HE MET 57 HE3 MET 57 -9.978 5.004 5.004 386 H VAL 58 HN VAL 58 -4.119 2.758 2.758 387 HA VAL 58 HA VAL 58 -6.145 3.527 3.527 388 HB VAL 58 HB VAL 58 -3.885 1.957 1.957 389 1HG1 VAL 58 HG13 VAL 58 -5.555 4.321 4.321 390 2HG1 VAL 58 HG12 VAL 58 -4.174 3.768 3.768 391 3HG1 VAL 58 HG11 VAL 58 -5.543 2.692 2.692 392 1HG2 VAL 58 HG22 VAL 58 -3.494 4.646 4.646 393 2HG2 VAL 58 HG21 VAL 58 -2.347 3.318 3.318 394 3HG2 VAL 58 HG23 VAL 58 -2.721 4.355 4.355 395 H ASP 59 HN ASP 59 -7.071 1.684 1.684 396 HA ASP 59 HA ASP 59 -6.902 -0.840 -0.840 397 1HB ASP 59 HB2 ASP 59 -9.131 -0.012 -0.012 398 2HB ASP 59 HB1 ASP 59 -9.138 0.439 0.439 399 H ASN 60 HN ASN 60 -6.243 -2.675 -2.675 400 HA ASN 60 HA ASN 60 -5.443 -2.364 -2.364 401 1HB ASN 60 HB2 ASN 60 -5.098 -4.880 -4.880 402 2HB ASN 60 HB1 ASN 60 -4.094 -4.266 -4.266 403 1HD2 ASN 60 HD22 ASN 60 -2.417 -1.857 -1.857 404 2HD2 ASN 60 HD21 ASN 60 -2.983 -2.063 -2.063 405 H GLY 61 HN GLY 61 -7.833 -4.212 -4.212 406 1HA GLY 61 HA2 GLY 61 -9.906 -4.882 -4.882 407 2HA GLY 61 HA1 GLY 61 -9.052 -4.936 -4.936 408 H ASP 62 HN ASP 62 -6.860 -6.338 -6.338 409 HA ASP 62 HA ASP 62 -7.936 -9.052 -9.052 410 1HB ASP 62 HB2 ASP 62 -5.556 -9.772 -9.772 411 2HB ASP 62 HB1 ASP 62 -5.763 -8.597 -8.597 412 H GLY 63 HN GLY 63 -8.953 -7.660 -7.660 413 1HA GLY 63 HA2 GLY 63 -9.465 -8.191 -8.191 414 2HA GLY 63 HA1 GLY 63 -8.468 -9.633 -9.633 415 H THR 64 HN THR 64 -6.543 -7.114 -7.114 416 HA THR 64 HA THR 64 -5.567 -6.673 -6.673 417 HB THR 64 HB THR 64 -3.325 -6.937 -6.937 418 HG1 THR 64 HG1 THR 64 -3.176 -5.874 -5.874 419 1HG2 THR 64 HG21 THR 64 -5.104 -8.999 -8.999 420 2HG2 THR 64 HG23 THR 64 -4.317 -9.022 -9.022 421 3HG2 THR 64 HG22 THR 64 -3.352 -9.180 -9.180 422 H TYR 65 HN TYR 65 -4.703 -4.596 -4.596 423 HA TYR 65 HA TYR 65 -5.072 -2.589 -2.589 424 1HB TYR 65 HB2 TYR 65 -5.811 -2.299 -2.299 425 2HB TYR 65 HB1 TYR 65 -5.947 -1.027 -1.027 426 HD1 TYR 65 HD1 TYR 65 -6.880 -4.641 -4.641 427 HD2 TYR 65 HD2 TYR 65 -8.015 -0.770 -0.770 428 HE1 TYR 65 HE1 TYR 65 -9.019 -5.573 -5.573 429 HE2 TYR 65 HE2 TYR 65 -10.168 -1.701 -1.701 430 HH TYR 65 HH TYR 65 -11.639 -3.618 -3.618 431 H ASP 66 HN ASP 66 -3.666 -0.697 -0.697 432 HA ASP 66 HA ASP 66 -1.328 -1.181 -1.181 433 1HB ASP 66 HB2 ASP 66 -1.092 -0.034 -0.034 434 2HB ASP 66 HB1 ASP 66 0.195 -0.649 -0.649 435 H VAL 67 HN VAL 67 -0.667 0.591 0.591 436 HA VAL 67 HA VAL 67 -1.732 3.231 3.231 437 HB VAL 67 HB VAL 67 -2.332 3.781 3.781 438 1HG1 VAL 67 HG12 VAL 67 -3.299 1.396 1.396 439 2HG1 VAL 67 HG11 VAL 67 -3.083 1.034 1.034 440 3HG1 VAL 67 HG13 VAL 67 -4.115 2.376 2.376 441 1HG2 VAL 67 HG21 VAL 67 -0.778 1.352 1.352 442 2HG2 VAL 67 HG23 VAL 67 -0.309 3.034 3.034 443 3HG2 VAL 67 HG22 VAL 67 -1.726 2.380 2.380 444 H GLU 68 HN GLU 68 -0.193 5.010 5.010 445 HA GLU 68 HA GLU 68 2.397 4.341 4.341 446 1HB GLU 68 HB2 GLU 68 2.369 5.292 5.292 447 2HB GLU 68 HB1 GLU 68 3.744 4.707 4.707 448 1HG GLU 68 HG2 GLU 68 3.172 2.871 2.871 449 2HG GLU 68 HG1 GLU 68 2.409 2.478 2.478 450 H PHE 69 HN PHE 69 3.278 6.097 6.097 451 HA PHE 69 HA PHE 69 2.718 8.758 8.758 452 1HB PHE 69 HB2 PHE 69 2.354 9.818 9.818 453 2HB PHE 69 HB1 PHE 69 1.167 8.542 8.542 454 HD1 PHE 69 HD2 PHE 69 2.232 6.104 6.104 455 HD2 PHE 69 HD1 PHE 69 3.236 9.967 9.967 456 HE1 PHE 69 HE2 PHE 69 3.005 5.061 5.061 457 HE2 PHE 69 HE1 PHE 69 3.990 8.911 8.911 458 HZ PHE 69 HZ PHE 69 3.854 6.444 6.444 459 H GLU 70 HN GLU 70 4.485 10.332 10.332 460 HA GLU 70 HA GLU 70 6.918 9.156 9.156 461 1HB GLU 70 HB2 GLU 70 7.161 8.438 8.438 462 2HB GLU 70 HB1 GLU 70 6.705 10.027 10.027 463 1HG GLU 70 HG2 GLU 70 9.075 9.962 9.962 464 2HG GLU 70 HG1 GLU 70 8.752 10.925 10.925 465 HA PRO 71 HA PRO 71 6.666 13.615 13.615 466 1HB PRO 71 HB2 PRO 71 7.612 13.318 13.318 467 2HB PRO 71 HB1 PRO 71 5.910 13.103 13.103 468 1HG PRO 71 HG2 PRO 71 7.943 11.036 11.036 469 2HG PRO 71 HG1 PRO 71 6.179 10.961 10.961 470 1HD PRO 71 HD2 PRO 71 7.765 9.790 9.790 471 2HD PRO 71 HD1 PRO 71 5.995 9.940 9.940 472 H LYS 72 HN LYS 72 8.439 15.087 15.087 473 HA LYS 72 HA LYS 72 11.212 14.056 14.056 474 1HB LYS 72 HB2 LYS 72 10.683 16.817 16.817 475 2HB LYS 72 HB1 LYS 72 11.758 15.590 15.590 476 1HG LYS 72 HG2 LYS 72 9.519 14.377 14.377 477 2HG LYS 72 HG1 LYS 72 8.817 15.985 15.985 478 1HD LYS 72 HD2 LYS 72 9.449 16.166 16.166 479 2HD LYS 72 HD1 LYS 72 10.992 16.616 16.616 480 1HE LYS 72 HE2 LYS 72 12.002 14.733 14.733 481 2HE LYS 72 HE1 LYS 72 10.659 13.718 13.718 482 1HZ LYS 72 HZ2 LYS 72 9.510 14.896 14.896 483 2HZ LYS 72 HZ1 LYS 72 11.118 15.001 15.001 484 3HZ LYS 72 HZ3 LYS 72 10.440 13.487 13.487 485 H GLU 73 HN GLU 73 9.650 14.751 14.751 486 HA GLU 73 HA GLU 73 11.664 16.557 16.557 487 1HB GLU 73 HB2 GLU 73 10.005 18.118 18.118 488 2HB GLU 73 HB1 GLU 73 9.847 18.054 18.054 489 1HG GLU 73 HG2 GLU 73 8.037 16.318 16.318 490 2HG GLU 73 HG1 GLU 73 8.106 16.643 16.643 491 H ALA 74 HN ALA 74 9.973 16.934 16.934 492 HA ALA 74 HA ALA 74 10.180 14.180 14.180 493 1HB ALA 74 HB1 ALA 74 11.093 16.563 16.563 494 2HB ALA 74 HB3 ALA 74 9.531 16.414 16.414 495 3HB ALA 74 HB2 ALA 74 10.738 15.140 15.140 496 H GLY 75 HN GLY 75 8.286 13.067 13.067 497 1HA GLY 75 HA2 GLY 75 5.822 14.530 14.530 498 2HA GLY 75 HA1 GLY 75 5.865 13.854 13.854 499 H ASP 76 HN ASP 76 3.976 13.104 13.104 500 HA ASP 76 HA ASP 76 4.776 10.295 10.295 501 1HB ASP 76 HB2 ASP 76 3.095 10.313 10.313 502 2HB ASP 76 HB1 ASP 76 4.045 11.785 11.785 503 H TYR 77 HN TYR 77 3.132 8.702 8.702 504 HA TYR 77 HA TYR 77 1.443 9.625 9.625 505 1HB TYR 77 HB2 TYR 77 2.383 6.809 6.809 506 2HB TYR 77 HB1 TYR 77 1.688 7.478 7.478 507 HD1 TYR 77 HD1 TYR 77 3.261 10.168 10.168 508 HD2 TYR 77 HD2 TYR 77 4.361 6.028 6.028 509 HE1 TYR 77 HE1 TYR 77 5.503 10.769 10.769 510 HE2 TYR 77 HE2 TYR 77 6.600 6.610 6.610 511 HH TYR 77 HH TYR 77 7.858 8.281 8.281 512 H VAL 78 HN VAL 78 -0.624 9.074 9.074 513 HA VAL 78 HA VAL 78 -1.706 7.411 7.411 514 HB VAL 78 HB VAL 78 -2.583 9.548 9.548 515 1HG1 VAL 78 HG13 VAL 78 -2.553 9.786 9.786 516 2HG1 VAL 78 HG12 VAL 78 -3.688 10.781 10.781 517 3HG1 VAL 78 HG11 VAL 78 -1.955 10.915 10.915 518 1HG2 VAL 78 HG22 VAL 78 -4.277 7.634 7.634 519 2HG2 VAL 78 HG21 VAL 78 -4.901 9.280 9.280 520 3HG2 VAL 78 HG23 VAL 78 -4.682 8.510 8.510 521 H ILE 79 HN ILE 79 -2.703 5.635 5.635 522 HA ILE 79 HA ILE 79 -3.154 5.503 5.503 523 HB ILE 79 HB ILE 79 -3.300 2.937 2.937 524 1HG1 ILE 79 HG12 ILE 79 -1.732 4.029 4.029 525 2HG1 ILE 79 HG11 ILE 79 -0.909 2.808 2.808 526 1HG2 ILE 79 HG23 ILE 79 -2.970 3.400 3.400 527 2HG2 ILE 79 HG22 ILE 79 -1.356 3.998 3.998 528 3HG2 ILE 79 HG21 ILE 79 -1.768 2.311 2.311 529 1HD1 ILE 79 HD11 ILE 79 -0.777 5.212 5.212 530 2HD1 ILE 79 HD13 ILE 79 -0.367 5.636 5.636 531 3HD1 ILE 79 HD12 ILE 79 0.550 4.388 4.388 532 H ASN 80 HN ASN 80 -4.859 4.307 4.307 533 HA ASN 80 HA ASN 80 -7.188 3.802 3.802 534 1HB ASN 80 HB2 ASN 80 -7.543 5.522 5.522 535 2HB ASN 80 HB1 ASN 80 -8.641 5.285 5.285 536 1HD2 ASN 80 HD22 ASN 80 -7.377 8.039 8.039 537 2HD2 ASN 80 HD21 ASN 80 -8.652 6.947 6.947 538 H LEU 81 HN LEU 81 -7.632 1.782 1.782 539 HA LEU 81 HA LEU 81 -7.736 1.127 1.127 540 1HB LEU 81 HB2 LEU 81 -5.602 0.233 0.233 541 2HB LEU 81 HB1 LEU 81 -6.381 -0.485 -0.485 542 HG LEU 81 HG LEU 81 -5.810 -1.941 -1.941 543 1HD1 LEU 81 HD13 LEU 81 -7.295 -2.290 -2.290 544 2HD1 LEU 81 HD12 LEU 81 -8.552 -2.455 -2.455 545 3HD1 LEU 81 HD11 LEU 81 -7.142 -3.515 -3.515 546 1HD2 LEU 81 HD22 LEU 81 -7.527 -0.188 -0.188 547 2HD2 LEU 81 HD21 LEU 81 -7.238 -1.826 -1.826 548 3HD2 LEU 81 HD23 LEU 81 -8.631 -1.482 -1.482 549 H THR 82 HN THR 82 -9.778 0.407 0.407 550 HA THR 82 HA THR 82 -11.156 -1.029 -1.029 551 HB THR 82 HB THR 82 -13.226 0.285 0.285 552 HG1 THR 82 HG1 THR 82 -11.448 1.127 1.127 553 1HG2 THR 82 HG23 THR 82 -11.394 0.731 0.731 554 2HG2 THR 82 HG22 THR 82 -11.428 2.279 2.279 555 3HG2 THR 82 HG21 THR 82 -12.918 1.593 1.593 556 H LEU 83 HN LEU 83 -12.351 -2.773 -2.773 557 HA LEU 83 HA LEU 83 -13.144 -3.090 -3.090 558 1HB LEU 83 HB2 LEU 83 -10.967 -4.332 -4.332 559 2HB LEU 83 HB1 LEU 83 -11.853 -5.363 -5.363 560 HG LEU 83 HG LEU 83 -11.577 -6.161 -6.161 561 1HD1 LEU 83 HD11 LEU 83 -13.168 -7.015 -7.015 562 2HD1 LEU 83 HD13 LEU 83 -14.419 -6.107 -6.107 563 3HD1 LEU 83 HD12 LEU 83 -13.566 -7.410 -7.410 564 1HD2 LEU 83 HD21 LEU 83 -12.359 -3.940 -3.940 565 2HD2 LEU 83 HD23 LEU 83 -13.264 -5.327 -5.327 566 3HD2 LEU 83 HD22 LEU 83 -13.962 -4.297 -4.297 567 H ASP 84 HN ASP 84 -15.198 -2.485 -2.485 568 HA ASP 84 HA ASP 84 -17.241 -4.102 -4.102 569 1HB ASP 84 HB2 ASP 84 -15.584 -4.901 -4.901 570 2HB ASP 84 HB1 ASP 84 -17.342 -4.993 -4.993 571 H GLY 85 HN GLY 85 -15.484 -1.753 -1.753 572 1HA GLY 85 HA2 GLY 85 -16.923 0.370 0.370 573 2HA GLY 85 HA1 GLY 85 -18.012 -0.688 -0.688 574 H ASP 86 HN ASP 86 -14.900 -1.790 -1.790 575 HA ASP 86 HA ASP 86 -14.572 0.020 0.020 576 1HB ASP 86 HB2 ASP 86 -15.531 -2.348 -2.348 577 2HB ASP 86 HB1 ASP 86 -13.912 -2.927 -2.927 578 H ASN 87 HN ASN 87 -12.157 -0.443 -0.443 579 HA ASN 87 HA ASN 87 -10.468 -0.495 -0.495 580 1HB ASN 87 HB2 ASN 87 -9.491 0.637 0.637 581 2HB ASN 87 HB1 ASN 87 -9.070 1.102 1.102 582 1HD2 ASN 87 HD22 ASN 87 -11.697 3.449 3.449 583 2HD2 ASN 87 HD21 ASN 87 -10.417 2.651 2.651 584 H VAL 88 HN VAL 88 -8.362 -1.531 -1.531 585 HA VAL 88 HA VAL 88 -8.515 -4.043 -4.043 586 HB VAL 88 HB VAL 88 -6.371 -2.606 -2.606 587 1HG1 VAL 88 HG12 VAL 88 -5.197 -3.706 -3.706 588 2HG1 VAL 88 HG11 VAL 88 -5.997 -5.224 -5.224 589 3HG1 VAL 88 HG13 VAL 88 -4.848 -4.510 -4.510 590 1HG2 VAL 88 HG22 VAL 88 -8.244 -3.902 -3.902 591 2HG2 VAL 88 HG21 VAL 88 -6.639 -4.514 -4.514 592 3HG2 VAL 88 HG23 VAL 88 -7.628 -5.347 -5.347 593 H ASN 89 HN ASN 89 -6.656 -4.739 -4.739 594 HA ASN 89 HA ASN 89 -6.798 -2.878 -2.878 595 1HB ASN 89 HB2 ASN 89 -5.761 -4.658 -4.658 596 2HB ASN 89 HB1 ASN 89 -7.032 -5.343 -5.343 597 1HD2 ASN 89 HD22 ASN 89 -3.891 -7.395 -7.395 598 2HD2 ASN 89 HD21 ASN 89 -4.825 -6.931 -6.931 599 H GLY 90 HN GLY 90 -5.041 -2.231 -2.231 600 1HA GLY 90 HA2 GLY 90 -2.720 -1.391 -1.391 601 2HA GLY 90 HA1 GLY 90 -2.369 -2.351 -2.351 602 H PHE 91 HN PHE 91 -5.116 -0.369 -0.369 603 HA PHE 91 HA PHE 91 -3.526 1.492 1.492 604 1HB PHE 91 HB2 PHE 91 -6.129 0.173 0.173 605 2HB PHE 91 HB1 PHE 91 -6.046 1.850 1.850 606 HD1 PHE 91 HD2 PHE 91 -4.610 -1.516 -1.516 607 HD2 PHE 91 HD1 PHE 91 -4.584 2.498 2.498 608 HE1 PHE 91 HE2 PHE 91 -3.245 -2.228 -2.228 609 HE2 PHE 91 HE1 PHE 91 -3.220 1.810 1.810 610 HZ PHE 91 HZ PHE 91 -2.555 -0.575 -0.575 611 HA PRO 92 HA PRO 92 -6.434 4.418 4.418 612 1HB PRO 92 HB2 PRO 92 -7.452 3.549 3.549 613 2HB PRO 92 HB1 PRO 92 -8.335 3.446 3.446 614 1HG PRO 92 HG2 PRO 92 -6.992 1.279 1.279 615 2HG PRO 92 HG1 PRO 92 -8.357 1.175 1.175 616 1HD PRO 92 HD2 PRO 92 -5.685 0.484 0.484 617 2HD PRO 92 HD1 PRO 92 -6.970 0.715 0.715 618 H LYS 93 HN LYS 93 -3.760 2.856 2.856 619 HA LYS 93 HA LYS 93 -3.043 4.164 4.164 620 1HB LYS 93 HB2 LYS 93 -2.555 1.689 1.689 621 2HB LYS 93 HB1 LYS 93 -1.388 2.247 2.247 622 1HG LYS 93 HG2 LYS 93 0.122 2.817 2.817 623 2HG LYS 93 HG1 LYS 93 -1.103 3.620 3.620 624 1HD LYS 93 HD2 LYS 93 -0.705 0.618 0.618 625 2HD LYS 93 HD1 LYS 93 -0.103 1.652 1.652 626 1HE LYS 93 HE2 LYS 93 -2.106 1.581 1.581 627 2HE LYS 93 HE1 LYS 93 -2.878 2.238 2.238 628 1HZ LYS 93 HZ3 LYS 93 -2.178 -0.488 -0.488 629 2HZ LYS 93 HZ2 LYS 93 -3.148 -0.307 -0.307 630 3HZ LYS 93 HZ1 LYS 93 -3.699 0.254 0.254 631 H THR 94 HN THR 94 -0.883 5.219 5.219 632 HA THR 94 HA THR 94 -0.421 6.595 6.595 633 HB THR 94 HB THR 94 0.053 7.766 7.766 634 HG1 THR 94 HG1 THR 94 -2.201 7.214 7.214 635 1HG2 THR 94 HG21 THR 94 -0.149 8.952 8.952 636 2HG2 THR 94 HG23 THR 94 0.047 9.883 9.883 637 3HG2 THR 94 HG22 THR 94 1.322 8.784 8.784 638 H VAL 95 HN VAL 95 1.570 6.357 6.357 639 HA VAL 95 HA VAL 95 3.620 5.259 5.259 640 HB VAL 95 HB VAL 95 3.324 5.171 5.171 641 1HG1 VAL 95 HG11 VAL 95 5.653 5.982 5.982 642 2HG1 VAL 95 HG13 VAL 95 5.873 4.476 4.476 643 3HG1 VAL 95 HG12 VAL 95 5.594 4.437 4.437 644 1HG2 VAL 95 HG22 VAL 95 2.515 3.396 3.396 645 2HG2 VAL 95 HG21 VAL 95 3.487 2.837 2.837 646 3HG2 VAL 95 HG23 VAL 95 4.226 3.033 3.033 647 H THR 96 HN THR 96 5.796 6.314 6.314 648 HA THR 96 HA THR 96 5.484 9.187 9.187 649 HB THR 96 HB THR 96 7.017 8.065 8.065 650 HG1 THR 96 HG1 THR 96 5.132 9.370 9.370 651 1HG2 THR 96 HG22 THR 96 6.344 10.870 10.870 652 2HG2 THR 96 HG21 THR 96 6.933 10.493 10.493 653 3HG2 THR 96 HG23 THR 96 7.948 10.169 10.169 654 H VAL 97 HN VAL 97 7.040 10.219 10.219 655 HA VAL 97 HA VAL 97 9.662 8.863 8.863 656 HB VAL 97 HB VAL 97 7.858 10.282 10.282 657 1HG1 VAL 97 HG12 VAL 97 10.880 10.185 10.185 658 2HG1 VAL 97 HG11 VAL 97 9.903 10.427 10.427 659 3HG1 VAL 97 HG13 VAL 97 9.850 11.612 11.612 660 1HG2 VAL 97 HG22 VAL 97 9.602 7.827 7.827 661 2HG2 VAL 97 HG21 VAL 97 7.879 7.930 7.930 662 3HG2 VAL 97 HG23 VAL 97 9.056 8.502 8.502 663 H LYS 98 HN LYS 98 11.456 10.240 10.240 664 HA LYS 98 HA LYS 98 10.896 12.759 12.759 665 1HB LYS 98 HB2 LYS 98 12.813 10.664 10.664 666 2HB LYS 98 HB1 LYS 98 13.694 12.134 12.134 667 1HG LYS 98 HG2 LYS 98 13.610 12.460 12.460 668 2HG LYS 98 HG1 LYS 98 12.006 13.093 13.093 669 1HD LYS 98 HD2 LYS 98 11.317 11.543 11.543 670 2HD LYS 98 HD1 LYS 98 11.463 10.431 10.431 671 1HE LYS 98 HE2 LYS 98 14.063 10.686 10.686 672 2HE LYS 98 HE1 LYS 98 12.984 10.492 10.492 673 1HZ LYS 98 HZ3 LYS 98 12.364 8.756 8.756 674 2HZ LYS 98 HZ2 LYS 98 13.905 8.481 8.481 675 3HZ LYS 98 HZ1 LYS 98 12.527 8.396 8.396 676 HA PRO 99 HA PRO 99 12.380 15.461 15.461 677 1HB PRO 99 HB2 PRO 99 14.624 16.741 16.741 678 2HB PRO 99 HB1 PRO 99 12.965 17.125 17.125 679 1HG PRO 99 HG2 PRO 99 15.055 15.596 15.596 680 2HG PRO 99 HG1 PRO 99 13.717 16.573 16.573 681 1HD PRO 99 HD2 PRO 99 13.749 13.791 13.791 682 2HD PRO 99 HD1 PRO 99 12.281 14.772 14.772 683 H ALA 100 HN ALA 100 12.870 13.751 13.751 684 HA ALA 100 HA ALA 100 14.934 12.101 12.101 685 1HB ALA 100 HB3 ALA 100 13.094 13.472 13.472 686 2HB ALA 100 HB2 ALA 100 14.667 13.479 13.479 687 3HB ALA 100 HB1 ALA 100 13.932 11.952 11.952 Start of MODEL 5 1 1H ALA 1 HT3 ALA 1 -18.370 -11.630 -11.630 2 2H ALA 1 HT2 ALA 1 -19.625 -10.787 -10.787 3 3H ALA 1 HT1 ALA 1 -18.923 -12.145 -12.145 4 HA ALA 1 HA ALA 1 -17.693 -10.666 -10.666 5 1HB ALA 1 HB2 ALA 1 -19.171 -8.838 -8.838 6 2HB ALA 1 HB1 ALA 1 -18.032 -8.681 -8.681 7 3HB ALA 1 HB3 ALA 1 -17.507 -8.343 -8.343 8 H ASP 2 HN ASP 2 -15.795 -8.837 -8.837 9 HA ASP 2 HA ASP 2 -14.037 -10.779 -10.779 10 1HB ASP 2 HB2 ASP 2 -13.185 -10.529 -10.529 11 2HB ASP 2 HB1 ASP 2 -13.324 -8.777 -8.777 12 HA PRO 3 HA PRO 3 -14.344 -6.681 -6.681 13 1HB PRO 3 HB2 PRO 3 -16.038 -7.449 -7.449 14 2HB PRO 3 HB1 PRO 3 -16.608 -6.693 -6.693 15 1HG PRO 3 HG2 PRO 3 -16.764 -9.558 -9.558 16 2HG PRO 3 HG1 PRO 3 -17.843 -8.639 -8.639 17 1HD PRO 3 HD2 PRO 3 -15.866 -10.446 -10.446 18 2HD PRO 3 HD1 PRO 3 -16.666 -9.212 -9.212 19 H GLU 4 HN GLU 4 -13.451 -9.869 -9.869 20 HA GLU 4 HA GLU 4 -11.886 -9.335 -9.335 21 1HB GLU 4 HB2 GLU 4 -14.148 -10.886 -10.886 22 2HB GLU 4 HB1 GLU 4 -12.867 -12.074 -12.074 23 1HG GLU 4 HG2 GLU 4 -11.794 -10.546 -10.546 24 2HG GLU 4 HG1 GLU 4 -13.510 -10.461 -10.461 25 H LYS 5 HN LYS 5 -11.517 -9.890 -9.890 26 HA LYS 5 HA LYS 5 -9.128 -11.602 -11.602 27 1HB LYS 5 HB2 LYS 5 -11.531 -12.335 -12.335 28 2HB LYS 5 HB1 LYS 5 -10.091 -12.363 -12.363 29 1HG LYS 5 HG2 LYS 5 -9.834 -14.454 -14.454 30 2HG LYS 5 HG1 LYS 5 -9.119 -13.567 -13.567 31 1HD LYS 5 HD2 LYS 5 -11.498 -13.412 -13.412 32 2HD LYS 5 HD1 LYS 5 -11.936 -14.633 -14.633 33 1HE LYS 5 HE2 LYS 5 -9.522 -15.147 -15.147 34 2HE LYS 5 HE1 LYS 5 -11.102 -15.313 -15.313 35 1HZ LYS 5 HZ3 LYS 5 -10.650 -16.549 -16.549 36 2HZ LYS 5 HZ2 LYS 5 -10.030 -17.313 -17.313 37 3HZ LYS 5 HZ1 LYS 5 -11.699 -17.021 -17.021 38 H SER 6 HN SER 6 -9.526 -8.772 -8.772 39 HA SER 6 HA SER 6 -8.324 -8.395 -8.395 40 1HB SER 6 HB2 SER 6 -9.566 -6.213 -6.213 41 2HB SER 6 HB1 SER 6 -9.246 -6.217 -6.217 42 HG SER 6 HG SER 6 -11.363 -7.230 -7.230 43 H TYR 7 HN TYR 7 -6.158 -8.179 -8.179 44 HA TYR 7 HA TYR 7 -5.145 -6.543 -6.543 45 1HB TYR 7 HB2 TYR 7 -3.094 -8.083 -8.083 46 2HB TYR 7 HB1 TYR 7 -4.563 -8.778 -8.778 47 HD1 TYR 7 HD1 TYR 7 -6.130 -10.075 -10.075 48 HD2 TYR 7 HD2 TYR 7 -2.087 -9.052 -9.052 49 HE1 TYR 7 HE1 TYR 7 -6.135 -11.823 -11.823 50 HE2 TYR 7 HE2 TYR 7 -2.089 -10.802 -10.802 51 HH TYR 7 HH TYR 7 -4.885 -12.957 -12.957 52 H ALA 8 HN ALA 8 -3.550 -5.060 -5.060 53 HA ALA 8 HA ALA 8 -2.601 -4.952 -4.952 54 1HB ALA 8 HB3 ALA 8 -3.163 -2.672 -2.672 55 2HB ALA 8 HB2 ALA 8 -2.422 -2.484 -2.484 56 3HB ALA 8 HB1 ALA 8 -4.082 -3.061 -3.061 57 H GLU 9 HN GLU 9 -0.409 -5.288 -5.288 58 HA GLU 9 HA GLU 9 1.270 -4.253 -4.253 59 1HB GLU 9 HB2 GLU 9 2.591 -6.427 -6.427 60 2HB GLU 9 HB1 GLU 9 0.986 -6.561 -6.561 61 1HG GLU 9 HG2 GLU 9 0.929 -8.347 -8.347 62 2HG GLU 9 HG1 GLU 9 0.266 -7.068 -7.068 63 H GLY 10 HN GLY 10 3.242 -3.492 -3.492 64 1HA GLY 10 HA2 GLY 10 4.373 -4.229 -4.229 65 2HA GLY 10 HA1 GLY 10 3.704 -2.604 -2.604 66 HA PRO 11 HA PRO 11 8.017 -2.507 -2.507 67 1HB PRO 11 HB2 PRO 11 9.276 -1.434 -1.434 68 2HB PRO 11 HB1 PRO 11 9.183 -3.176 -3.176 69 1HG PRO 11 HG2 PRO 11 7.678 -1.544 -1.544 70 2HG PRO 11 HG1 PRO 11 8.104 -3.263 -3.263 71 1HD PRO 11 HD2 PRO 11 5.568 -2.209 -2.209 72 2HD PRO 11 HD1 PRO 11 6.107 -3.878 -3.878 73 H GLY 12 HN GLY 12 5.522 -0.649 -0.649 74 1HA GLY 12 HA2 GLY 12 6.882 1.943 1.943 75 2HA GLY 12 HA1 GLY 12 5.446 1.781 1.781 76 H LEU 13 HN LEU 13 5.597 3.422 3.422 77 HA LEU 13 HA LEU 13 3.911 3.936 3.936 78 1HB LEU 13 HB2 LEU 13 2.045 2.709 2.709 79 2HB LEU 13 HB1 LEU 13 2.743 1.844 1.844 80 HG LEU 13 HG LEU 13 3.738 0.639 0.639 81 1HD1 LEU 13 HD12 LEU 13 1.136 1.782 1.782 82 2HD1 LEU 13 HD11 LEU 13 1.001 0.023 0.023 83 3HD1 LEU 13 HD13 LEU 13 2.064 0.808 0.808 84 1HD2 LEU 13 HD21 LEU 13 2.301 -0.065 -0.065 85 2HD2 LEU 13 HD23 LEU 13 3.487 -1.002 -1.002 86 3HD2 LEU 13 HD22 LEU 13 1.788 -1.032 -1.032 87 H ASP 14 HN ASP 14 6.441 1.822 1.822 88 HA ASP 14 HA ASP 14 6.262 1.063 1.063 89 1HB ASP 14 HB2 ASP 14 8.844 1.513 1.513 90 2HB ASP 14 HB1 ASP 14 8.458 0.287 0.287 91 H GLY 15 HN GLY 15 6.970 3.904 3.904 92 1HA GLY 15 HA2 GLY 15 7.386 6.088 6.088 93 2HA GLY 15 HA1 GLY 15 7.391 5.433 5.433 94 H GLY 16 HN GLY 16 9.225 6.039 6.039 95 1HA GLY 16 HA2 GLY 16 11.531 6.125 6.125 96 2HA GLY 16 HA1 GLY 16 11.740 4.949 4.949 97 H GLU 17 HN GLU 17 11.381 6.013 6.013 98 HA GLU 17 HA GLU 17 12.822 8.634 8.634 99 1HB GLU 17 HB2 GLU 17 13.169 6.243 6.243 100 2HB GLU 17 HB1 GLU 17 13.780 7.822 7.822 101 1HG GLU 17 HG2 GLU 17 15.276 7.893 7.893 102 2HG GLU 17 HG1 GLU 17 14.424 6.603 6.603 103 H CYS 18 HN CYS 18 12.217 10.184 10.184 104 HA CYS 18 HA CYS 18 9.601 9.827 9.827 105 1HB CYS 18 HB2 CYS 18 11.288 12.209 12.209 106 2HB CYS 18 HB1 CYS 18 10.272 12.314 12.314 107 HG CYS 18 HG CYS 18 9.234 12.506 12.506 108 H PHE 19 HN PHE 19 12.961 9.871 9.871 109 HA PHE 19 HA PHE 19 12.331 10.426 10.426 110 1HB PHE 19 HB2 PHE 19 14.916 10.039 10.039 111 2HB PHE 19 HB1 PHE 19 14.869 10.028 10.028 112 HD1 PHE 19 HD2 PHE 19 12.830 11.889 11.889 113 HD2 PHE 19 HD1 PHE 19 15.688 12.158 12.158 114 HE1 PHE 19 HE2 PHE 19 12.554 14.345 14.345 115 HE2 PHE 19 HE1 PHE 19 15.407 14.622 14.622 116 HZ PHE 19 HZ PHE 19 13.813 15.696 15.696 117 H GLN 20 HN GLN 20 11.648 7.921 7.921 118 HA GLN 20 HA GLN 20 12.763 5.905 5.905 119 1HB GLN 20 HB2 GLN 20 12.881 5.334 5.334 120 2HB GLN 20 HB1 GLN 20 11.139 5.568 5.568 121 1HG GLN 20 HG2 GLN 20 10.827 3.776 3.776 122 2HG GLN 20 HG1 GLN 20 12.564 3.477 3.477 123 1HE2 GLN 20 HE22 GLN 20 11.348 1.055 1.055 124 2HE2 GLN 20 HE21 GLN 20 11.581 1.243 1.243 125 HA PRO 21 HA PRO 21 8.973 6.292 6.292 126 1HB PRO 21 HB2 PRO 21 8.961 3.824 3.824 127 2HB PRO 21 HB1 PRO 21 9.934 5.203 5.203 128 1HG PRO 21 HG2 PRO 21 10.797 2.773 2.773 129 2HG PRO 21 HG1 PRO 21 11.705 3.739 3.739 130 1HD PRO 21 HD2 PRO 21 12.047 3.922 3.922 131 2HD PRO 21 HD1 PRO 21 12.465 5.215 5.215 132 H SER 22 HN SER 22 6.876 5.975 5.975 133 HA SER 22 HA SER 22 6.544 3.739 3.739 134 1HB SER 22 HB2 SER 22 5.928 6.423 6.423 135 2HB SER 22 HB1 SER 22 4.385 5.647 5.647 136 HG SER 22 HG SER 22 6.163 5.210 5.210 137 H LYS 23 HN LYS 23 5.740 1.958 1.958 138 HA LYS 23 HA LYS 23 3.242 2.285 2.285 139 1HB LYS 23 HB2 LYS 23 5.434 0.612 0.612 140 2HB LYS 23 HB1 LYS 23 4.008 1.284 1.284 141 1HG LYS 23 HG2 LYS 23 5.039 3.594 3.594 142 2HG LYS 23 HG1 LYS 23 6.534 2.711 2.711 143 1HD LYS 23 HD2 LYS 23 5.522 1.675 1.675 144 2HD LYS 23 HD1 LYS 23 5.299 3.421 3.421 145 1HE LYS 23 HE2 LYS 23 7.614 3.843 3.843 146 2HE LYS 23 HE1 LYS 23 7.907 2.190 2.190 147 1HZ LYS 23 HZ2 LYS 23 7.021 2.929 2.929 148 2HZ LYS 23 HZ1 LYS 23 8.634 2.616 2.616 149 3HZ LYS 23 HZ3 LYS 23 7.474 1.384 1.384 150 H PHE 24 HN PHE 24 1.899 0.590 0.590 151 HA PHE 24 HA PHE 24 3.039 -1.952 -1.952 152 1HB PHE 24 HB2 PHE 24 0.595 -1.512 -1.512 153 2HB PHE 24 HB1 PHE 24 2.209 -1.734 -1.734 154 HD1 PHE 24 HD2 PHE 24 3.777 0.400 0.400 155 HD2 PHE 24 HD1 PHE 24 -0.505 0.457 0.457 156 HE1 PHE 24 HE2 PHE 24 3.855 2.786 2.786 157 HE2 PHE 24 HE1 PHE 24 -0.432 2.846 2.846 158 HZ PHE 24 HZ PHE 24 1.755 3.999 3.999 159 H LYS 25 HN LYS 25 1.523 -3.757 -3.757 160 HA LYS 25 HA LYS 25 -0.512 -3.219 -3.219 161 1HB LYS 25 HB2 LYS 25 0.732 -5.919 -5.919 162 2HB LYS 25 HB1 LYS 25 -0.030 -5.321 -5.321 163 1HG LYS 25 HG2 LYS 25 2.021 -3.514 -3.514 164 2HG LYS 25 HG1 LYS 25 2.746 -5.028 -5.028 165 1HD LYS 25 HD2 LYS 25 1.169 -5.289 -5.289 166 2HD LYS 25 HD1 LYS 25 2.567 -4.226 -4.226 167 1HE LYS 25 HE2 LYS 25 3.576 -6.355 -6.355 168 2HE LYS 25 HE1 LYS 25 2.470 -7.138 -7.138 169 1HZ LYS 25 HZ3 LYS 25 4.199 -5.051 -5.051 170 2HZ LYS 25 HZ2 LYS 25 4.949 -6.513 -6.513 171 3HZ LYS 25 HZ1 LYS 25 3.689 -6.507 -6.507 172 H ILE 26 HN ILE 26 -2.591 -3.973 -3.973 173 HA ILE 26 HA ILE 26 -2.979 -5.161 -5.161 174 HB ILE 26 HB ILE 26 -5.107 -3.810 -3.810 175 1HG1 ILE 26 HG12 ILE 26 -3.001 -2.629 -2.629 176 2HG1 ILE 26 HG11 ILE 26 -3.457 -2.108 -2.108 177 1HG2 ILE 26 HG23 ILE 26 -4.732 -4.483 -4.483 178 2HG2 ILE 26 HG22 ILE 26 -6.013 -3.423 -3.423 179 3HG2 ILE 26 HG21 ILE 26 -5.963 -5.109 -5.109 180 1HD1 ILE 26 HD13 ILE 26 -5.835 -1.827 -1.827 181 2HD1 ILE 26 HD12 ILE 26 -4.739 -1.517 -1.517 182 3HD1 ILE 26 HD11 ILE 26 -4.648 -0.530 -0.530 183 H HIS 27 HN HIS 27 -4.532 -6.833 -6.833 184 HA HIS 27 HA HIS 27 -5.358 -8.190 -8.190 185 1HB HIS 27 HB2 HIS 27 -4.157 -9.727 -9.727 186 2HB HIS 27 HB1 HIS 27 -4.453 -10.284 -10.284 187 HD1 HIS 27 HD1 HIS 27 -2.498 -7.413 -7.413 188 HD2 HIS 27 HD2 HIS 27 -2.113 -10.237 -10.237 189 HE1 HIS 27 HE1 HIS 27 -0.247 -7.014 -7.014 190 H ALA 28 HN ALA 28 -7.517 -8.365 -8.365 191 HA ALA 28 HA ALA 28 -8.758 -8.617 -8.617 192 1HB ALA 28 HB2 ALA 28 -9.476 -7.214 -7.214 193 2HB ALA 28 HB1 ALA 28 -10.592 -8.580 -8.580 194 3HB ALA 28 HB3 ALA 28 -10.495 -7.481 -7.481 195 H VAL 29 HN VAL 29 -10.091 -10.427 -10.427 196 HA VAL 29 HA VAL 29 -10.197 -12.610 -12.610 197 HB VAL 29 HB VAL 29 -8.907 -12.692 -12.692 198 1HG1 VAL 29 HG12 VAL 29 -10.540 -15.020 -15.020 199 2HG1 VAL 29 HG11 VAL 29 -9.454 -15.084 -15.084 200 3HG1 VAL 29 HG13 VAL 29 -10.917 -14.100 -14.100 201 1HG2 VAL 29 HG22 VAL 29 -7.797 -12.949 -12.949 202 2HG2 VAL 29 HG21 VAL 29 -7.460 -14.242 -14.242 203 3HG2 VAL 29 HG23 VAL 29 -8.634 -14.494 -14.494 204 H ASP 30 HN ASP 30 -12.242 -13.169 -13.169 205 HA ASP 30 HA ASP 30 -14.216 -12.496 -12.496 206 1HB ASP 30 HB2 ASP 30 -15.746 -12.163 -12.163 207 2HB ASP 30 HB1 ASP 30 -14.268 -11.756 -11.756 208 HA PRO 31 HA PRO 31 -15.235 -16.715 -16.715 209 1HB PRO 31 HB2 PRO 31 -17.949 -16.906 -16.906 210 2HB PRO 31 HB1 PRO 31 -17.207 -16.120 -16.120 211 1HG PRO 31 HG2 PRO 31 -18.548 -14.878 -14.878 212 2HG PRO 31 HG1 PRO 31 -18.315 -14.230 -14.230 213 1HD PRO 31 HD2 PRO 31 -16.812 -13.563 -13.563 214 2HD PRO 31 HD1 PRO 31 -16.429 -13.101 -13.101 215 H ASP 32 HN ASP 32 -14.834 -15.855 -15.855 216 HA ASP 32 HA ASP 32 -15.990 -18.415 -18.415 217 1HB ASP 32 HB2 ASP 32 -16.991 -16.257 -16.257 218 2HB ASP 32 HB1 ASP 32 -15.413 -15.946 -15.946 219 H GLY 33 HN GLY 33 -13.227 -17.295 -17.295 220 1HA GLY 33 HA2 GLY 33 -10.997 -17.973 -17.973 221 2HA GLY 33 HA1 GLY 33 -11.586 -18.982 -18.982 222 H VAL 34 HN VAL 34 -12.296 -15.591 -15.591 223 HA VAL 34 HA VAL 34 -10.421 -14.821 -14.821 224 HB VAL 34 HB VAL 34 -13.242 -13.920 -13.920 225 1HG1 VAL 34 HG11 VAL 34 -10.823 -13.932 -13.932 226 2HG1 VAL 34 HG13 VAL 34 -11.910 -15.026 -15.026 227 3HG1 VAL 34 HG12 VAL 34 -12.397 -13.358 -13.358 228 1HG2 VAL 34 HG23 VAL 34 -12.312 -16.758 -16.758 229 2HG2 VAL 34 HG22 VAL 34 -13.675 -16.251 -16.251 230 3HG2 VAL 34 HG21 VAL 34 -13.739 -16.040 -16.040 231 H HIS 35 HN HIS 35 -10.658 -12.340 -12.340 232 HA HIS 35 HA HIS 35 -10.791 -11.090 -11.090 233 1HB HIS 35 HB2 HIS 35 -10.229 -9.654 -9.654 234 2HB HIS 35 HB1 HIS 35 -9.686 -9.230 -9.230 235 HD1 HIS 35 HD1 HIS 35 -7.408 -10.067 -10.067 236 HD2 HIS 35 HD2 HIS 35 -8.984 -12.203 -12.203 237 HE1 HIS 35 HE1 HIS 35 -5.592 -11.662 -11.662 238 H ARG 36 HN ARG 36 -13.222 -11.916 -11.916 239 HA ARG 36 HA ARG 36 -15.453 -11.253 -11.253 240 1HB ARG 36 HB2 ARG 36 -13.941 -8.776 -8.776 241 2HB ARG 36 HB1 ARG 36 -15.485 -8.510 -8.510 242 1HG ARG 36 HG2 ARG 36 -15.823 -10.480 -10.480 243 2HG ARG 36 HG1 ARG 36 -15.063 -9.050 -9.050 244 1HD ARG 36 HD2 ARG 36 -17.396 -8.705 -8.705 245 2HD ARG 36 HD1 ARG 36 -17.698 -9.206 -9.206 246 HE ARG 36 HE ARG 36 -16.114 -7.063 -7.063 247 1HH1 ARG 36 HH21 ARG 36 -17.356 -6.815 -6.815 248 2HH1 ARG 36 HH22 ARG 36 -18.443 -5.503 -5.503 249 1HH2 ARG 36 HH11 ARG 36 -18.104 -5.694 -5.694 250 2HH2 ARG 36 HH12 ARG 36 -18.871 -4.871 -4.871 251 H THR 37 HN THR 37 -15.057 -12.312 -12.312 252 HA THR 37 HA THR 37 -15.245 -12.223 -12.223 253 HB THR 37 HB THR 37 -17.016 -10.096 -10.096 254 HG1 THR 37 HG1 THR 37 -17.312 -9.653 -9.653 255 1HG2 THR 37 HG21 THR 37 -17.148 -12.502 -12.502 256 2HG2 THR 37 HG23 THR 37 -17.753 -12.908 -12.908 257 3HG2 THR 37 HG22 THR 37 -18.675 -11.826 -11.826 258 H ASP 38 HN ASP 38 -13.060 -11.407 -11.407 259 HA ASP 38 HA ASP 38 -12.018 -8.889 -8.889 260 1HB ASP 38 HB2 ASP 38 -11.259 -11.098 -11.098 261 2HB ASP 38 HB1 ASP 38 -11.680 -10.034 -10.034 262 H GLY 39 HN GLY 39 -12.079 -6.933 -6.933 263 1HA GLY 39 HA2 GLY 39 -12.915 -5.427 -5.427 264 2HA GLY 39 HA1 GLY 39 -14.049 -6.671 -6.671 265 H GLY 40 HN GLY 40 -15.172 -7.265 -7.265 266 1HA GLY 40 HA2 GLY 40 -16.636 -4.700 -4.700 267 2HA GLY 40 HA1 GLY 40 -17.374 -6.293 -6.293 268 H ASP 41 HN ASP 41 -14.326 -4.886 -4.886 269 HA ASP 41 HA ASP 41 -15.073 -6.011 -6.011 270 1HB ASP 41 HB2 ASP 41 -12.431 -4.730 -4.730 271 2HB ASP 41 HB1 ASP 41 -12.765 -5.871 -5.871 272 H GLY 42 HN GLY 42 -16.028 -4.597 -4.597 273 1HA GLY 42 HA2 GLY 42 -16.067 -1.741 -1.741 274 2HA GLY 42 HA1 GLY 42 -16.618 -2.543 -2.543 275 H PHE 43 HN PHE 43 -13.605 -1.809 -1.809 276 HA PHE 43 HA PHE 43 -12.188 -1.718 -1.718 277 1HB PHE 43 HB2 PHE 43 -11.546 -2.930 -2.930 278 2HB PHE 43 HB1 PHE 43 -10.569 -1.463 -1.463 279 HD1 PHE 43 HD2 PHE 43 -9.175 -0.918 -0.918 280 HD2 PHE 43 HD1 PHE 43 -10.897 -4.772 -4.772 281 HE1 PHE 43 HE2 PHE 43 -7.582 -1.958 -1.958 282 HE2 PHE 43 HE1 PHE 43 -9.301 -5.813 -5.813 283 HZ PHE 43 HZ PHE 43 -7.648 -4.405 -4.405 284 H VAL 44 HN VAL 44 -11.476 0.141 0.141 285 HA VAL 44 HA VAL 44 -10.977 2.434 2.434 286 HB VAL 44 HB VAL 44 -13.050 3.209 3.209 287 1HG1 VAL 44 HG13 VAL 44 -12.670 1.203 1.203 288 2HG1 VAL 44 HG12 VAL 44 -13.377 2.679 2.679 289 3HG1 VAL 44 HG11 VAL 44 -14.168 1.839 1.839 290 1HG2 VAL 44 HG21 VAL 44 -11.296 4.779 4.779 291 2HG2 VAL 44 HG23 VAL 44 -12.758 4.809 4.809 292 3HG2 VAL 44 HG22 VAL 44 -11.331 3.942 3.942 293 H VAL 45 HN VAL 45 -8.854 2.826 2.826 294 HA VAL 45 HA VAL 45 -7.874 2.626 2.626 295 HB VAL 45 HB VAL 45 -6.267 2.202 2.202 296 1HG1 VAL 45 HG11 VAL 45 -5.623 1.855 1.855 297 2HG1 VAL 45 HG13 VAL 45 -4.574 1.328 1.328 298 3HG1 VAL 45 HG12 VAL 45 -4.917 3.043 3.043 299 1HG2 VAL 45 HG21 VAL 45 -8.115 0.462 0.462 300 2HG2 VAL 45 HG23 VAL 45 -6.747 -0.012 -0.012 301 3HG2 VAL 45 HG22 VAL 45 -6.603 -0.051 -0.051 302 H THR 46 HN THR 46 -6.384 4.254 4.254 303 HA THR 46 HA THR 46 -5.803 6.443 6.443 304 HB THR 46 HB THR 46 -7.019 7.876 7.876 305 HG1 THR 46 HG1 THR 46 -8.632 6.756 6.756 306 1HG2 THR 46 HG22 THR 46 -8.182 7.005 7.005 307 2HG2 THR 46 HG21 THR 46 -8.707 8.400 8.400 308 3HG2 THR 46 HG23 THR 46 -7.087 8.367 8.367 309 H ILE 47 HN ILE 47 -3.946 7.352 7.352 310 HA ILE 47 HA ILE 47 -3.037 7.155 7.155 311 HB ILE 47 HB ILE 47 -1.525 6.695 6.695 312 1HG1 ILE 47 HG12 ILE 47 -2.132 5.227 5.227 313 2HG1 ILE 47 HG11 ILE 47 -1.702 4.606 4.606 314 1HG2 ILE 47 HG21 ILE 47 -0.321 7.662 7.662 315 2HG2 ILE 47 HG23 ILE 47 0.598 7.077 7.077 316 3HG2 ILE 47 HG22 ILE 47 -0.342 8.554 8.554 317 1HD1 ILE 47 HD11 ILE 47 0.685 5.439 5.439 318 2HD1 ILE 47 HD13 ILE 47 0.153 5.579 5.579 319 3HD1 ILE 47 HD12 ILE 47 0.145 4.007 4.007 320 H GLU 48 HN GLU 48 -1.692 8.958 8.958 321 HA GLU 48 HA GLU 48 -1.160 11.116 11.116 322 1HB GLU 48 HB2 GLU 48 -2.790 12.713 12.713 323 2HB GLU 48 HB1 GLU 48 -3.334 11.896 11.896 324 1HG GLU 48 HG2 GLU 48 -4.726 10.510 10.510 325 2HG GLU 48 HG1 GLU 48 -3.565 10.271 10.271 326 H GLY 49 HN GLY 49 -0.122 12.903 12.903 327 1HA GLY 49 HA2 GLY 49 0.362 12.848 12.848 328 2HA GLY 49 HA1 GLY 49 1.768 12.396 12.396 329 HA PRO 50 HA PRO 50 1.585 17.025 17.025 330 1HB PRO 50 HB2 PRO 50 4.081 17.342 17.342 331 2HB PRO 50 HB1 PRO 50 2.600 17.170 17.170 332 1HG PRO 50 HG2 PRO 50 4.765 15.175 15.175 333 2HG PRO 50 HG1 PRO 50 3.656 15.316 15.316 334 1HD PRO 50 HD2 PRO 50 3.421 13.469 13.469 335 2HD PRO 50 HD1 PRO 50 2.155 13.861 13.861 336 H ALA 51 HN ALA 51 1.811 16.201 16.201 337 HA ALA 51 HA ALA 51 4.291 17.348 17.348 338 1HB ALA 51 HB1 ALA 51 4.161 14.567 14.567 339 2HB ALA 51 HB3 ALA 51 3.884 14.789 14.789 340 3HB ALA 51 HB2 ALA 51 5.346 15.432 15.432 341 HA PRO 52 HA PRO 52 1.727 18.221 18.221 342 1HB PRO 52 HB2 PRO 52 3.244 17.554 17.554 343 2HB PRO 52 HB1 PRO 52 3.547 18.974 18.974 344 1HG PRO 52 HG2 PRO 52 5.044 16.395 16.395 345 2HG PRO 52 HG1 PRO 52 5.618 18.006 18.006 346 1HD PRO 52 HD2 PRO 52 4.969 15.920 15.920 347 2HD PRO 52 HD1 PRO 52 5.190 17.627 17.627 348 H VAL 53 HN VAL 53 3.323 15.124 15.124 349 HA VAL 53 HA VAL 53 0.801 14.207 14.207 350 HB VAL 53 HB VAL 53 3.347 12.609 12.609 351 1HG1 VAL 53 HG12 VAL 53 0.811 12.165 12.165 352 2HG1 VAL 53 HG11 VAL 53 1.975 12.371 12.371 353 3HG1 VAL 53 HG13 VAL 53 2.238 11.132 11.132 354 1HG2 VAL 53 HG23 VAL 53 3.766 14.927 14.927 355 2HG2 VAL 53 HG22 VAL 53 4.187 13.593 13.593 356 3HG2 VAL 53 HG21 VAL 53 2.690 14.490 14.490 357 H ASP 54 HN ASP 54 -0.398 14.122 14.122 358 HA ASP 54 HA ASP 54 0.580 12.023 12.023 359 1HB ASP 54 HB2 ASP 54 -1.633 14.071 14.071 360 2HB ASP 54 HB1 ASP 54 -1.254 12.867 12.867 361 HA PRO 55 HA PRO 55 -3.686 10.236 10.236 362 1HB PRO 55 HB2 PRO 55 -5.145 11.463 11.463 363 2HB PRO 55 HB1 PRO 55 -5.246 11.918 11.918 364 1HG PRO 55 HG2 PRO 55 -3.950 13.370 13.370 365 2HG PRO 55 HG1 PRO 55 -4.564 14.001 14.001 366 1HD PRO 55 HD2 PRO 55 -1.837 13.467 13.467 367 2HD PRO 55 HD1 PRO 55 -2.481 13.920 13.920 368 H VAL 56 HN VAL 56 -2.680 8.438 8.438 369 HA VAL 56 HA VAL 56 -2.705 8.572 8.572 370 HB VAL 56 HB VAL 56 -0.419 7.442 7.442 371 1HG1 VAL 56 HG13 VAL 56 -1.252 7.361 7.361 372 2HG1 VAL 56 HG12 VAL 56 0.288 8.215 8.215 373 3HG1 VAL 56 HG11 VAL 56 0.136 6.576 6.576 374 1HG2 VAL 56 HG23 VAL 56 -0.630 10.133 10.133 375 2HG2 VAL 56 HG22 VAL 56 -0.537 9.891 9.891 376 3HG2 VAL 56 HG21 VAL 56 0.838 9.474 9.474 377 H MET 57 HN MET 57 -4.401 7.006 7.006 378 HA MET 57 HA MET 57 -3.489 4.298 4.298 379 1HB MET 57 HB2 MET 57 -5.500 3.706 3.706 380 2HB MET 57 HB1 MET 57 -4.981 5.237 5.237 381 1HG MET 57 HG2 MET 57 -6.885 5.208 5.208 382 2HG MET 57 HG1 MET 57 -7.484 4.950 4.950 383 1HE MET 57 HE2 MET 57 -6.371 7.112 7.112 384 2HE MET 57 HE1 MET 57 -8.009 7.568 7.568 385 3HE MET 57 HE3 MET 57 -6.692 8.745 8.745 386 H VAL 58 HN VAL 58 -4.031 2.719 2.719 387 HA VAL 58 HA VAL 58 -5.980 3.437 3.437 388 HB VAL 58 HB VAL 58 -3.714 1.881 1.881 389 1HG1 VAL 58 HG13 VAL 58 -5.014 4.495 4.495 390 2HG1 VAL 58 HG12 VAL 58 -3.863 3.581 3.581 391 3HG1 VAL 58 HG11 VAL 58 -5.441 2.891 2.891 392 1HG2 VAL 58 HG23 VAL 58 -3.247 4.540 4.540 393 2HG2 VAL 58 HG22 VAL 58 -2.205 3.117 3.117 394 3HG2 VAL 58 HG21 VAL 58 -2.353 4.142 4.142 395 H ASP 59 HN ASP 59 -6.848 1.568 1.568 396 HA ASP 59 HA ASP 59 -6.573 -0.990 -0.990 397 1HB ASP 59 HB2 ASP 59 -8.780 0.035 0.035 398 2HB ASP 59 HB1 ASP 59 -8.982 0.184 0.184 399 H ASN 60 HN ASN 60 -5.811 -2.670 -2.670 400 HA ASN 60 HA ASN 60 -5.479 -2.237 -2.237 401 1HB ASN 60 HB2 ASN 60 -3.682 -3.221 -3.221 402 2HB ASN 60 HB1 ASN 60 -4.668 -4.683 -4.683 403 1HD2 ASN 60 HD22 ASN 60 -4.108 -5.471 -5.471 404 2HD2 ASN 60 HD21 ASN 60 -5.288 -5.580 -5.580 405 H GLY 61 HN GLY 61 -7.647 -4.016 -4.016 406 1HA GLY 61 HA2 GLY 61 -9.681 -4.987 -4.987 407 2HA GLY 61 HA1 GLY 61 -9.064 -4.910 -4.910 408 H ASP 62 HN ASP 62 -6.662 -6.213 -6.213 409 HA ASP 62 HA ASP 62 -7.410 -8.954 -8.954 410 1HB ASP 62 HB2 ASP 62 -5.016 -9.483 -9.483 411 2HB ASP 62 HB1 ASP 62 -5.217 -8.124 -8.124 412 H GLY 63 HN GLY 63 -8.423 -7.523 -7.523 413 1HA GLY 63 HA2 GLY 63 -9.087 -8.390 -8.390 414 2HA GLY 63 HA1 GLY 63 -8.020 -9.769 -9.769 415 H THR 64 HN THR 64 -6.039 -7.367 -7.367 416 HA THR 64 HA THR 64 -5.219 -6.863 -6.863 417 HB THR 64 HB THR 64 -2.851 -6.832 -6.832 418 HG1 THR 64 HG1 THR 64 -3.564 -6.649 -6.649 419 1HG2 THR 64 HG21 THR 64 -3.743 -8.744 -8.744 420 2HG2 THR 64 HG23 THR 64 -4.404 -9.426 -9.426 421 3HG2 THR 64 HG22 THR 64 -2.658 -9.286 -9.286 422 H TYR 65 HN TYR 65 -4.737 -4.688 -4.688 423 HA TYR 65 HA TYR 65 -4.811 -2.841 -2.841 424 1HB TYR 65 HB2 TYR 65 -5.848 -2.312 -2.312 425 2HB TYR 65 HB1 TYR 65 -5.990 -1.233 -1.233 426 HD1 TYR 65 HD1 TYR 65 -6.447 -3.310 -3.310 427 HD2 TYR 65 HD2 TYR 65 -8.192 -2.844 -2.844 428 HE1 TYR 65 HE1 TYR 65 -8.437 -4.539 -4.539 429 HE2 TYR 65 HE2 TYR 65 -10.193 -4.077 -4.077 430 HH TYR 65 HH TYR 65 -10.274 -5.829 -5.829 431 H ASP 66 HN ASP 66 -3.496 -0.870 -0.870 432 HA ASP 66 HA ASP 66 -1.318 -1.236 -1.236 433 1HB ASP 66 HB2 ASP 66 -0.705 -1.903 -1.903 434 2HB ASP 66 HB1 ASP 66 -0.904 -0.206 -0.206 435 H VAL 67 HN VAL 67 -0.642 0.582 0.582 436 HA VAL 67 HA VAL 67 -1.779 3.171 3.171 437 HB VAL 67 HB VAL 67 -2.375 3.733 3.733 438 1HG1 VAL 67 HG12 VAL 67 -3.271 1.294 1.294 439 2HG1 VAL 67 HG11 VAL 67 -3.069 0.997 0.997 440 3HG1 VAL 67 HG13 VAL 67 -4.123 2.298 2.298 441 1HG2 VAL 67 HG22 VAL 67 -0.768 1.339 1.339 442 2HG2 VAL 67 HG21 VAL 67 -0.294 3.027 3.027 443 3HG2 VAL 67 HG23 VAL 67 -1.686 2.397 2.397 444 H GLU 68 HN GLU 68 -0.277 5.017 5.017 445 HA GLU 68 HA GLU 68 2.357 4.363 4.363 446 1HB GLU 68 HB2 GLU 68 2.388 5.430 5.430 447 2HB GLU 68 HB1 GLU 68 3.642 4.542 4.542 448 1HG GLU 68 HG2 GLU 68 2.213 2.499 2.499 449 2HG GLU 68 HG1 GLU 68 1.016 3.406 3.406 450 H PHE 69 HN PHE 69 3.109 6.115 6.115 451 HA PHE 69 HA PHE 69 2.589 8.791 8.791 452 1HB PHE 69 HB2 PHE 69 2.102 9.818 9.818 453 2HB PHE 69 HB1 PHE 69 1.008 8.452 8.452 454 HD1 PHE 69 HD1 PHE 69 2.167 6.128 6.128 455 HD2 PHE 69 HD2 PHE 69 3.113 10.095 10.095 456 HE1 PHE 69 HE1 PHE 69 3.061 5.214 5.214 457 HE2 PHE 69 HE2 PHE 69 4.001 9.174 9.174 458 HZ PHE 69 HZ PHE 69 3.958 6.716 6.716 459 H GLU 70 HN GLU 70 4.315 10.365 10.365 460 HA GLU 70 HA GLU 70 6.715 9.160 9.160 461 1HB GLU 70 HB2 GLU 70 7.058 8.564 8.564 462 2HB GLU 70 HB1 GLU 70 6.556 10.159 10.159 463 1HG GLU 70 HG2 GLU 70 8.520 11.128 11.128 464 2HG GLU 70 HG1 GLU 70 9.062 9.476 9.476 465 HA PRO 71 HA PRO 71 6.438 13.486 13.486 466 1HB PRO 71 HB2 PRO 71 7.805 13.063 13.063 467 2HB PRO 71 HB1 PRO 71 6.075 12.739 12.739 468 1HG PRO 71 HG2 PRO 71 8.338 10.814 10.814 469 2HG PRO 71 HG1 PRO 71 6.634 10.572 10.572 470 1HD PRO 71 HD2 PRO 71 7.922 9.705 9.705 471 2HD PRO 71 HD1 PRO 71 6.171 9.731 9.731 472 H LYS 72 HN LYS 72 8.610 14.496 14.496 473 HA LYS 72 HA LYS 72 11.059 14.070 14.070 474 1HB LYS 72 HB2 LYS 72 11.128 16.750 16.750 475 2HB LYS 72 HB1 LYS 72 10.387 15.853 15.853 476 1HG LYS 72 HG2 LYS 72 8.239 16.350 16.350 477 2HG LYS 72 HG1 LYS 72 8.683 16.469 16.469 478 1HD LYS 72 HD2 LYS 72 8.636 18.709 18.709 479 2HD LYS 72 HD1 LYS 72 10.137 18.515 18.515 480 1HE LYS 72 HE2 LYS 72 9.068 18.625 18.625 481 2HE LYS 72 HE1 LYS 72 7.535 18.043 18.043 482 1HZ LYS 72 HZ1 LYS 72 8.210 20.450 20.450 483 2HZ LYS 72 HZ3 LYS 72 8.337 20.682 20.682 484 3HZ LYS 72 HZ2 LYS 72 6.880 20.122 20.122 485 H GLU 73 HN GLU 73 9.825 16.303 16.303 486 HA GLU 73 HA GLU 73 12.424 16.094 16.094 487 1HB GLU 73 HB2 GLU 73 11.486 17.962 17.962 488 2HB GLU 73 HB1 GLU 73 11.466 18.316 18.316 489 1HG GLU 73 HG2 GLU 73 9.151 18.002 18.002 490 2HG GLU 73 HG1 GLU 73 9.067 17.022 17.022 491 H ALA 74 HN ALA 74 10.613 16.800 16.800 492 HA ALA 74 HA ALA 74 10.422 13.994 13.994 493 1HB ALA 74 HB2 ALA 74 11.216 16.322 16.322 494 2HB ALA 74 HB1 ALA 74 9.594 16.052 16.052 495 3HB ALA 74 HB3 ALA 74 10.829 14.801 14.801 496 H GLY 75 HN GLY 75 8.522 12.927 12.927 497 1HA GLY 75 HA2 GLY 75 6.023 14.423 14.423 498 2HA GLY 75 HA1 GLY 75 6.217 13.635 13.635 499 H ASP 76 HN ASP 76 4.193 13.035 13.035 500 HA ASP 76 HA ASP 76 4.926 10.245 10.245 501 1HB ASP 76 HB2 ASP 76 2.940 10.463 10.463 502 2HB ASP 76 HB1 ASP 76 4.322 11.477 11.477 503 H TYR 77 HN TYR 77 3.230 8.673 8.673 504 HA TYR 77 HA TYR 77 1.547 9.541 9.541 505 1HB TYR 77 HB2 TYR 77 2.356 6.708 6.708 506 2HB TYR 77 HB1 TYR 77 1.733 7.371 7.371 507 HD1 TYR 77 HD1 TYR 77 3.447 9.965 9.965 508 HD2 TYR 77 HD2 TYR 77 4.322 5.775 5.775 509 HE1 TYR 77 HE1 TYR 77 5.730 10.398 10.398 510 HE2 TYR 77 HE2 TYR 77 6.600 6.196 6.196 511 HH TYR 77 HH TYR 77 7.630 8.325 8.325 512 H VAL 78 HN VAL 78 -0.545 9.118 9.118 513 HA VAL 78 HA VAL 78 -1.668 7.522 7.522 514 HB VAL 78 HB VAL 78 -2.499 9.680 9.680 515 1HG1 VAL 78 HG13 VAL 78 -2.661 9.889 9.889 516 2HG1 VAL 78 HG12 VAL 78 -3.427 11.065 11.065 517 3HG1 VAL 78 HG11 VAL 78 -1.676 10.853 10.853 518 1HG2 VAL 78 HG23 VAL 78 -4.218 7.696 7.696 519 2HG2 VAL 78 HG22 VAL 78 -4.703 9.178 9.178 520 3HG2 VAL 78 HG21 VAL 78 -4.741 9.097 9.097 521 H ILE 79 HN ILE 79 -2.645 5.740 5.740 522 HA ILE 79 HA ILE 79 -3.087 5.566 5.566 523 HB ILE 79 HB ILE 79 -3.088 3.057 3.057 524 1HG1 ILE 79 HG12 ILE 79 -0.401 3.379 3.379 525 2HG1 ILE 79 HG11 ILE 79 -0.867 5.029 5.029 526 1HG2 ILE 79 HG22 ILE 79 -3.113 3.326 3.326 527 2HG2 ILE 79 HG21 ILE 79 -1.461 3.930 3.930 528 3HG2 ILE 79 HG23 ILE 79 -1.836 2.282 2.282 529 1HD1 ILE 79 HD11 ILE 79 -2.277 3.883 3.883 530 2HD1 ILE 79 HD13 ILE 79 -1.196 2.516 2.516 531 3HD1 ILE 79 HD12 ILE 79 -0.540 4.078 4.078 532 H ASN 80 HN ASN 80 -4.763 4.303 4.303 533 HA ASN 80 HA ASN 80 -7.087 3.725 3.725 534 1HB ASN 80 HB2 ASN 80 -7.461 5.579 5.579 535 2HB ASN 80 HB1 ASN 80 -8.560 5.253 5.253 536 1HD2 ASN 80 HD22 ASN 80 -5.485 7.895 7.895 537 2HD2 ASN 80 HD21 ASN 80 -5.432 6.823 6.823 538 H LEU 81 HN LEU 81 -7.572 1.724 1.724 539 HA LEU 81 HA LEU 81 -7.909 1.319 1.319 540 1HB LEU 81 HB2 LEU 81 -6.399 -0.366 -0.366 541 2HB LEU 81 HB1 LEU 81 -5.688 0.284 0.284 542 HG LEU 81 HG LEU 81 -7.329 -1.250 -1.250 543 1HD1 LEU 81 HD11 LEU 81 -8.031 -1.759 -1.759 544 2HD1 LEU 81 HD13 LEU 81 -7.345 -3.233 -3.233 545 3HD1 LEU 81 HD12 LEU 81 -8.731 -2.465 -2.465 546 1HD2 LEU 81 HD22 LEU 81 -4.789 -1.774 -1.774 547 2HD2 LEU 81 HD21 LEU 81 -5.339 -2.262 -2.262 548 3HD2 LEU 81 HD23 LEU 81 -5.720 -3.254 -3.254 549 H THR 82 HN THR 82 -9.884 0.498 0.498 550 HA THR 82 HA THR 82 -11.153 -1.029 -1.029 551 HB THR 82 HB THR 82 -13.274 0.294 0.294 552 HG1 THR 82 HG1 THR 82 -11.153 1.929 1.929 553 1HG2 THR 82 HG22 THR 82 -11.113 0.920 0.920 554 2HG2 THR 82 HG21 THR 82 -11.992 2.361 2.361 555 3HG2 THR 82 HG23 THR 82 -12.857 1.022 1.022 556 H LEU 83 HN LEU 83 -12.362 -2.764 -2.764 557 HA LEU 83 HA LEU 83 -13.118 -2.977 -2.977 558 1HB LEU 83 HB2 LEU 83 -11.009 -4.318 -4.318 559 2HB LEU 83 HB1 LEU 83 -12.000 -5.329 -5.329 560 HG LEU 83 HG LEU 83 -11.621 -6.071 -6.071 561 1HD1 LEU 83 HD11 LEU 83 -13.320 -6.928 -6.928 562 2HD1 LEU 83 HD13 LEU 83 -14.504 -5.948 -5.948 563 3HD1 LEU 83 HD12 LEU 83 -13.666 -7.255 -7.255 564 1HD2 LEU 83 HD23 LEU 83 -12.342 -3.729 -3.729 565 2HD2 LEU 83 HD22 LEU 83 -13.066 -5.110 -5.110 566 3HD2 LEU 83 HD21 LEU 83 -13.987 -4.227 -4.227 567 H ASP 84 HN ASP 84 -15.165 -2.296 -2.296 568 HA ASP 84 HA ASP 84 -17.283 -3.812 -3.812 569 1HB ASP 84 HB2 ASP 84 -15.745 -4.775 -4.775 570 2HB ASP 84 HB1 ASP 84 -17.508 -4.785 -4.785 571 H GLY 85 HN GLY 85 -15.459 -1.629 -1.629 572 1HA GLY 85 HA2 GLY 85 -16.809 0.561 0.561 573 2HA GLY 85 HA1 GLY 85 -17.947 -0.466 -0.466 574 H ASP 86 HN ASP 86 -14.961 -1.788 -1.788 575 HA ASP 86 HA ASP 86 -14.551 -0.022 -0.022 576 1HB ASP 86 HB2 ASP 86 -14.750 -3.006 -3.006 577 2HB ASP 86 HB1 ASP 86 -13.608 -2.345 -2.345 578 H ASN 87 HN ASN 87 -12.159 -0.262 -0.262 579 HA ASN 87 HA ASN 87 -10.461 -0.537 -0.537 580 1HB ASN 87 HB2 ASN 87 -9.277 0.696 0.696 581 2HB ASN 87 HB1 ASN 87 -9.197 1.221 1.221 582 1HD2 ASN 87 HD22 ASN 87 -11.723 3.624 3.624 583 2HD2 ASN 87 HD21 ASN 87 -10.434 3.040 3.040 584 H VAL 88 HN VAL 88 -8.343 -1.540 -1.540 585 HA VAL 88 HA VAL 88 -8.558 -3.981 -3.981 586 HB VAL 88 HB VAL 88 -6.127 -2.648 -2.648 587 1HG1 VAL 88 HG13 VAL 88 -6.555 -5.412 -5.412 588 2HG1 VAL 88 HG12 VAL 88 -5.244 -5.042 -5.042 589 3HG1 VAL 88 HG11 VAL 88 -5.320 -4.236 -4.236 590 1HG2 VAL 88 HG22 VAL 88 -8.017 -4.822 -4.822 591 2HG2 VAL 88 HG21 VAL 88 -7.880 -3.194 -3.194 592 3HG2 VAL 88 HG23 VAL 88 -6.548 -4.334 -4.334 593 H ASN 89 HN ASN 89 -6.786 -4.616 -4.616 594 HA ASN 89 HA ASN 89 -6.986 -2.649 -2.649 595 1HB ASN 89 HB2 ASN 89 -6.662 -5.462 -5.462 596 2HB ASN 89 HB1 ASN 89 -5.282 -4.837 -4.837 597 1HD2 ASN 89 HD22 ASN 89 -8.956 -4.849 -4.849 598 2HD2 ASN 89 HD21 ASN 89 -8.699 -5.475 -5.475 599 H GLY 90 HN GLY 90 -5.176 -2.007 -2.007 600 1HA GLY 90 HA2 GLY 90 -2.873 -1.208 -1.208 601 2HA GLY 90 HA1 GLY 90 -2.499 -2.190 -2.190 602 H PHE 91 HN PHE 91 -5.198 -0.044 -0.044 603 HA PHE 91 HA PHE 91 -3.531 1.704 1.704 604 1HB PHE 91 HB2 PHE 91 -6.180 0.486 0.486 605 2HB PHE 91 HB1 PHE 91 -5.962 2.129 2.129 606 HD1 PHE 91 HD2 PHE 91 -4.258 -1.175 -1.175 607 HD2 PHE 91 HD1 PHE 91 -4.804 2.456 2.456 608 HE1 PHE 91 HE2 PHE 91 -2.819 -2.042 -2.042 609 HE2 PHE 91 HE1 PHE 91 -3.355 1.617 1.617 610 HZ PHE 91 HZ PHE 91 -2.391 -0.672 -0.672 611 HA PRO 92 HA PRO 92 -6.424 4.768 4.768 612 1HB PRO 92 HB2 PRO 92 -7.537 4.007 4.007 613 2HB PRO 92 HB1 PRO 92 -8.380 3.911 3.911 614 1HG PRO 92 HG2 PRO 92 -7.189 1.718 1.718 615 2HG PRO 92 HG1 PRO 92 -8.515 1.655 1.655 616 1HD PRO 92 HD2 PRO 92 -5.863 0.830 0.830 617 2HD PRO 92 HD1 PRO 92 -7.092 1.094 1.094 618 H LYS 93 HN LYS 93 -3.820 3.143 3.143 619 HA LYS 93 HA LYS 93 -3.114 4.559 4.559 620 1HB LYS 93 HB2 LYS 93 -2.641 2.104 2.104 621 2HB LYS 93 HB1 LYS 93 -1.605 2.433 2.433 622 1HG LYS 93 HG2 LYS 93 -0.095 3.751 3.751 623 2HG LYS 93 HG1 LYS 93 -1.193 3.700 3.700 624 1HD LYS 93 HD2 LYS 93 -0.890 1.272 1.272 625 2HD LYS 93 HD1 LYS 93 0.157 1.282 1.282 626 1HE LYS 93 HE2 LYS 93 1.896 1.640 1.640 627 2HE LYS 93 HE1 LYS 93 1.225 3.240 3.240 628 1HZ LYS 93 HZ1 LYS 93 -0.289 1.829 1.829 629 2HZ LYS 93 HZ3 LYS 93 1.064 0.806 0.806 630 3HZ LYS 93 HZ2 LYS 93 1.226 2.424 2.424 631 H THR 94 HN THR 94 -0.834 5.457 5.457 632 HA THR 94 HA THR 94 -0.358 6.723 6.723 633 HB THR 94 HB THR 94 0.139 7.997 7.997 634 HG1 THR 94 HG1 THR 94 -2.121 7.513 7.513 635 1HG2 THR 94 HG23 THR 94 1.377 8.722 8.722 636 2HG2 THR 94 HG22 THR 94 -0.189 9.307 9.307 637 3HG2 THR 94 HG21 THR 94 0.530 9.978 9.978 638 H VAL 95 HN VAL 95 1.627 6.410 6.410 639 HA VAL 95 HA VAL 95 3.657 5.335 5.335 640 HB VAL 95 HB VAL 95 3.356 5.133 5.133 641 1HG1 VAL 95 HG13 VAL 95 5.712 5.917 5.917 642 2HG1 VAL 95 HG12 VAL 95 5.891 4.409 4.409 643 3HG1 VAL 95 HG11 VAL 95 5.602 4.373 4.373 644 1HG2 VAL 95 HG22 VAL 95 3.464 3.360 3.360 645 2HG2 VAL 95 HG21 VAL 95 2.535 3.191 3.191 646 3HG2 VAL 95 HG23 VAL 95 4.242 2.753 2.753 647 H THR 96 HN THR 96 5.864 6.330 6.330 648 HA THR 96 HA THR 96 5.629 9.178 9.178 649 HB THR 96 HB THR 96 6.959 8.022 8.022 650 HG1 THR 96 HG1 THR 96 5.151 8.572 8.572 651 1HG2 THR 96 HG23 THR 96 7.252 10.633 10.633 652 2HG2 THR 96 HG22 THR 96 7.101 10.684 10.684 653 3HG2 THR 96 HG21 THR 96 8.406 9.761 9.761 654 H VAL 97 HN VAL 97 7.282 10.191 10.191 655 HA VAL 97 HA VAL 97 9.840 8.717 8.717 656 HB VAL 97 HB VAL 97 8.089 10.157 10.157 657 1HG1 VAL 97 HG12 VAL 97 11.106 9.949 9.949 658 2HG1 VAL 97 HG11 VAL 97 10.118 10.252 10.252 659 3HG1 VAL 97 HG13 VAL 97 10.137 11.422 11.422 660 1HG2 VAL 97 HG21 VAL 97 9.720 7.634 7.634 661 2HG2 VAL 97 HG23 VAL 97 8.029 7.825 7.825 662 3HG2 VAL 97 HG22 VAL 97 9.307 8.322 8.322 663 H LYS 98 HN LYS 98 11.702 10.096 10.096 664 HA LYS 98 HA LYS 98 11.233 12.590 12.590 665 1HB LYS 98 HB2 LYS 98 13.217 10.514 10.514 666 2HB LYS 98 HB1 LYS 98 14.007 12.063 12.063 667 1HG LYS 98 HG2 LYS 98 12.850 12.977 12.977 668 2HG LYS 98 HG1 LYS 98 12.158 11.381 11.381 669 1HD LYS 98 HD2 LYS 98 14.858 10.839 10.839 670 2HD LYS 98 HD1 LYS 98 14.858 12.361 12.361 671 1HE LYS 98 HE2 LYS 98 13.372 9.833 9.833 672 2HE LYS 98 HE1 LYS 98 14.801 10.490 10.490 673 1HZ LYS 98 HZ1 LYS 98 12.882 12.517 12.517 674 2HZ LYS 98 HZ3 LYS 98 12.116 11.138 11.138 675 3HZ LYS 98 HZ2 LYS 98 13.492 11.765 11.765 676 HA PRO 99 HA PRO 99 12.438 15.445 15.445 677 1HB PRO 99 HB2 PRO 99 14.663 16.774 16.774 678 2HB PRO 99 HB1 PRO 99 13.001 17.071 17.071 679 1HG PRO 99 HG2 PRO 99 15.184 15.543 15.543 680 2HG PRO 99 HG1 PRO 99 13.853 16.474 16.474 681 1HD PRO 99 HD2 PRO 99 13.906 13.706 13.706 682 2HD PRO 99 HD1 PRO 99 12.421 14.660 14.660 683 H ALA 100 HN ALA 100 12.961 13.692 13.692 684 HA ALA 100 HA ALA 100 15.120 12.247 12.247 685 1HB ALA 100 HB1 ALA 100 12.992 12.911 12.911 686 2HB ALA 100 HB3 ALA 100 14.117 14.008 14.008 687 3HB ALA 100 HB2 ALA 100 14.422 12.269 12.269 Start of MODEL 6 1 1H ALA 1 HT3 ALA 1 -18.134 -12.691 -12.691 2 2H ALA 1 HT2 ALA 1 -18.556 -11.269 -11.269 3 3H ALA 1 HT1 ALA 1 -19.392 -11.715 -11.715 4 HA ALA 1 HA ALA 1 -17.520 -11.292 -11.292 5 1HB ALA 1 HB1 ALA 1 -18.882 -9.322 -9.322 6 2HB ALA 1 HB3 ALA 1 -17.681 -9.061 -9.061 7 3HB ALA 1 HB2 ALA 1 -17.222 -8.916 -8.916 8 H ASP 2 HN ASP 2 -15.527 -9.352 -9.352 9 HA ASP 2 HA ASP 2 -13.663 -11.314 -11.314 10 1HB ASP 2 HB2 ASP 2 -12.993 -10.828 -10.828 11 2HB ASP 2 HB1 ASP 2 -13.154 -9.095 -9.095 12 HA PRO 3 HA PRO 3 -13.831 -7.377 -7.377 13 1HB PRO 3 HB2 PRO 3 -15.517 -8.206 -8.206 14 2HB PRO 3 HB1 PRO 3 -16.076 -7.300 -7.300 15 1HG PRO 3 HG2 PRO 3 -16.368 -10.215 -10.215 16 2HG PRO 3 HG1 PRO 3 -17.429 -9.153 -9.153 17 1HD PRO 3 HD2 PRO 3 -15.604 -10.979 -10.979 18 2HD PRO 3 HD1 PRO 3 -16.332 -9.597 -9.597 19 H GLU 4 HN GLU 4 -13.101 -10.622 -10.622 20 HA GLU 4 HA GLU 4 -11.577 -10.378 -10.378 21 1HB GLU 4 HB2 GLU 4 -13.755 -11.989 -11.989 22 2HB GLU 4 HB1 GLU 4 -12.415 -13.068 -13.068 23 1HG GLU 4 HG2 GLU 4 -11.355 -12.219 -12.219 24 2HG GLU 4 HG1 GLU 4 -12.971 -11.624 -11.624 25 H LYS 5 HN LYS 5 -11.099 -10.452 -10.452 26 HA LYS 5 HA LYS 5 -8.570 -11.950 -11.950 27 1HB LYS 5 HB2 LYS 5 -10.884 -12.856 -12.856 28 2HB LYS 5 HB1 LYS 5 -9.374 -12.792 -12.792 29 1HG LYS 5 HG2 LYS 5 -8.743 -14.718 -14.718 30 2HG LYS 5 HG1 LYS 5 -8.748 -13.898 -13.898 31 1HD LYS 5 HD2 LYS 5 -11.010 -14.509 -14.509 32 2HD LYS 5 HD1 LYS 5 -11.273 -14.997 -14.997 33 1HE LYS 5 HE2 LYS 5 -10.229 -17.021 -17.021 34 2HE LYS 5 HE1 LYS 5 -9.080 -16.383 -16.383 35 1HZ LYS 5 HZ1 LYS 5 -10.890 -16.281 -16.281 36 2HZ LYS 5 HZ3 LYS 5 -11.948 -16.971 -16.971 37 3HZ LYS 5 HZ2 LYS 5 -10.626 -17.866 -17.866 38 H SER 6 HN SER 6 -9.289 -9.183 -9.183 39 HA SER 6 HA SER 6 -8.203 -8.547 -8.547 40 1HB SER 6 HB2 SER 6 -9.739 -6.741 -6.741 41 2HB SER 6 HB1 SER 6 -9.201 -6.333 -6.333 42 HG SER 6 HG SER 6 -11.187 -8.146 -8.146 43 H TYR 7 HN TYR 7 -6.064 -8.111 -8.111 44 HA TYR 7 HA TYR 7 -5.186 -6.358 -6.358 45 1HB TYR 7 HB2 TYR 7 -3.003 -7.878 -7.878 46 2HB TYR 7 HB1 TYR 7 -4.357 -8.310 -8.310 47 HD1 TYR 7 HD1 TYR 7 -6.230 -9.786 -9.786 48 HD2 TYR 7 HD2 TYR 7 -2.253 -9.398 -9.398 49 HE1 TYR 7 HE1 TYR 7 -6.518 -11.909 -11.909 50 HE2 TYR 7 HE2 TYR 7 -2.541 -11.519 -11.519 51 HH TYR 7 HH TYR 7 -5.574 -13.016 -13.016 52 H ALA 8 HN ALA 8 -3.520 -4.937 -4.937 53 HA ALA 8 HA ALA 8 -2.600 -4.950 -4.950 54 1HB ALA 8 HB2 ALA 8 -4.022 -2.944 -2.944 55 2HB ALA 8 HB1 ALA 8 -2.360 -2.365 -2.365 56 3HB ALA 8 HB3 ALA 8 -3.244 -2.797 -2.797 57 H GLU 9 HN GLU 9 -0.417 -5.302 -5.302 58 HA GLU 9 HA GLU 9 1.292 -4.224 -4.224 59 1HB GLU 9 HB2 GLU 9 2.597 -6.502 -6.502 60 2HB GLU 9 HB1 GLU 9 1.205 -6.421 -6.421 61 1HG GLU 9 HG2 GLU 9 -0.259 -7.266 -7.266 62 2HG GLU 9 HG1 GLU 9 1.097 -7.291 -7.291 63 H GLY 10 HN GLY 10 3.284 -3.524 -3.524 64 1HA GLY 10 HA2 GLY 10 4.390 -4.304 -4.304 65 2HA GLY 10 HA1 GLY 10 3.751 -2.666 -2.666 66 HA PRO 11 HA PRO 11 8.045 -2.616 -2.616 67 1HB PRO 11 HB2 PRO 11 9.314 -1.496 -1.496 68 2HB PRO 11 HB1 PRO 11 9.205 -3.245 -3.245 69 1HG PRO 11 HG2 PRO 11 7.717 -1.543 -1.543 70 2HG PRO 11 HG1 PRO 11 8.126 -3.263 -3.263 71 1HD PRO 11 HD2 PRO 11 5.600 -2.199 -2.199 72 2HD PRO 11 HD1 PRO 11 6.119 -3.883 -3.883 73 H GLY 12 HN GLY 12 5.567 -0.708 -0.708 74 1HA GLY 12 HA2 GLY 12 6.938 1.847 1.847 75 2HA GLY 12 HA1 GLY 12 5.553 1.736 1.736 76 H LEU 13 HN LEU 13 5.673 3.321 3.321 77 HA LEU 13 HA LEU 13 3.901 3.930 3.930 78 1HB LEU 13 HB2 LEU 13 2.010 2.772 2.772 79 2HB LEU 13 HB1 LEU 13 2.793 1.631 1.631 80 HG LEU 13 HG LEU 13 3.024 1.388 1.388 81 1HD1 LEU 13 HD12 LEU 13 0.636 1.292 1.292 82 2HD1 LEU 13 HD11 LEU 13 1.083 -0.387 -0.387 83 3HD1 LEU 13 HD13 LEU 13 0.911 0.736 0.736 84 1HD2 LEU 13 HD22 LEU 13 4.520 -0.019 -0.019 85 2HD2 LEU 13 HD21 LEU 13 3.354 -0.999 -0.999 86 3HD2 LEU 13 HD23 LEU 13 3.102 -0.666 -0.666 87 H ASP 14 HN ASP 14 6.038 1.281 1.281 88 HA ASP 14 HA ASP 14 5.856 0.878 0.878 89 1HB ASP 14 HB2 ASP 14 8.529 1.194 1.194 90 2HB ASP 14 HB1 ASP 14 8.039 0.032 0.032 91 H GLY 15 HN GLY 15 6.854 3.609 3.609 92 1HA GLY 15 HA2 GLY 15 7.170 5.830 5.830 93 2HA GLY 15 HA1 GLY 15 7.195 5.194 5.194 94 H GLY 16 HN GLY 16 9.053 5.661 5.661 95 1HA GLY 16 HA2 GLY 16 11.365 5.765 5.765 96 2HA GLY 16 HA1 GLY 16 11.550 4.631 4.631 97 H GLU 17 HN GLU 17 11.051 5.841 5.841 98 HA GLU 17 HA GLU 17 12.468 8.467 8.467 99 1HB GLU 17 HB2 GLU 17 13.024 6.115 6.115 100 2HB GLU 17 HB1 GLU 17 13.493 7.728 7.728 101 1HG GLU 17 HG2 GLU 17 15.397 6.870 6.870 102 2HG GLU 17 HG1 GLU 17 14.605 7.932 7.932 103 H CYS 18 HN CYS 18 11.821 10.018 10.018 104 HA CYS 18 HA CYS 18 9.287 9.643 9.643 105 1HB CYS 18 HB2 CYS 18 10.886 12.028 12.028 106 2HB CYS 18 HB1 CYS 18 9.848 12.189 12.189 107 HG CYS 18 HG CYS 18 8.711 12.565 12.565 108 H PHE 19 HN PHE 19 12.667 9.844 9.844 109 HA PHE 19 HA PHE 19 12.253 10.589 10.589 110 1HB PHE 19 HB2 PHE 19 14.689 10.066 10.066 111 2HB PHE 19 HB1 PHE 19 14.804 10.242 10.242 112 HD1 PHE 19 HD2 PHE 19 12.839 11.841 11.841 113 HD2 PHE 19 HD1 PHE 19 15.335 12.415 12.415 114 HE1 PHE 19 HE2 PHE 19 12.545 14.283 14.283 115 HE2 PHE 19 HE1 PHE 19 15.036 14.872 14.872 116 HZ PHE 19 HZ PHE 19 13.627 15.781 15.781 117 H GLN 20 HN GLN 20 11.582 7.897 7.897 118 HA GLN 20 HA GLN 20 12.830 6.085 6.085 119 1HB GLN 20 HB2 GLN 20 12.083 5.793 5.793 120 2HB GLN 20 HB1 GLN 20 11.051 4.727 4.727 121 1HG GLN 20 HG2 GLN 20 13.582 4.403 4.403 122 2HG GLN 20 HG1 GLN 20 13.893 4.485 4.485 123 1HE2 GLN 20 HE22 GLN 20 12.510 1.305 1.305 124 2HE2 GLN 20 HE21 GLN 20 13.326 2.660 2.660 125 HA PRO 21 HA PRO 21 9.059 6.192 6.192 126 1HB PRO 21 HB2 PRO 21 9.061 3.652 3.652 127 2HB PRO 21 HB1 PRO 21 10.075 4.979 4.979 128 1HG PRO 21 HG2 PRO 21 10.851 2.624 2.624 129 2HG PRO 21 HG1 PRO 21 11.822 3.541 3.541 130 1HD PRO 21 HD2 PRO 21 11.980 3.818 3.818 131 2HD PRO 21 HD1 PRO 21 12.564 5.013 5.013 132 H SER 22 HN SER 22 6.956 5.970 5.970 133 HA SER 22 HA SER 22 6.574 3.761 3.761 134 1HB SER 22 HB2 SER 22 6.037 6.453 6.453 135 2HB SER 22 HB1 SER 22 4.473 5.748 5.748 136 HG SER 22 HG SER 22 5.007 4.219 4.219 137 H LYS 23 HN LYS 23 5.745 1.995 1.995 138 HA LYS 23 HA LYS 23 3.252 2.329 2.329 139 1HB LYS 23 HB2 LYS 23 5.445 0.661 0.661 140 2HB LYS 23 HB1 LYS 23 4.029 1.348 1.348 141 1HG LYS 23 HG2 LYS 23 5.049 3.645 3.645 142 2HG LYS 23 HG1 LYS 23 6.537 2.781 2.781 143 1HD LYS 23 HD2 LYS 23 6.428 1.708 1.708 144 2HD LYS 23 HD1 LYS 23 5.040 2.727 2.727 145 1HE LYS 23 HE2 LYS 23 6.942 4.512 4.512 146 2HE LYS 23 HE1 LYS 23 7.876 3.401 3.401 147 1HZ LYS 23 HZ3 LYS 23 5.719 3.833 3.833 148 2HZ LYS 23 HZ2 LYS 23 5.874 5.343 5.343 149 3HZ LYS 23 HZ1 LYS 23 7.169 4.704 4.704 150 H PHE 24 HN PHE 24 1.911 0.619 0.619 151 HA PHE 24 HA PHE 24 3.063 -1.939 -1.939 152 1HB PHE 24 HB2 PHE 24 0.658 -1.562 -1.562 153 2HB PHE 24 HB1 PHE 24 2.294 -1.742 -1.742 154 HD1 PHE 24 HD2 PHE 24 3.790 0.437 0.437 155 HD2 PHE 24 HD1 PHE 24 -0.491 0.377 0.377 156 HE1 PHE 24 HE2 PHE 24 3.809 2.806 2.806 157 HE2 PHE 24 HE1 PHE 24 -0.472 2.753 2.753 158 HZ PHE 24 HZ PHE 24 1.689 3.952 3.952 159 H LYS 25 HN LYS 25 1.528 -3.744 -3.744 160 HA LYS 25 HA LYS 25 -0.525 -3.186 -3.186 161 1HB LYS 25 HB2 LYS 25 1.143 -5.662 -5.662 162 2HB LYS 25 HB1 LYS 25 -0.205 -5.627 -5.627 163 1HG LYS 25 HG2 LYS 25 1.472 -5.094 -5.094 164 2HG LYS 25 HG1 LYS 25 1.147 -3.468 -3.468 165 1HD LYS 25 HD2 LYS 25 2.883 -4.113 -4.113 166 2HD LYS 25 HD1 LYS 25 3.405 -5.322 -5.322 167 1HE LYS 25 HE2 LYS 25 4.669 -3.673 -3.673 168 2HE LYS 25 HE1 LYS 25 3.155 -3.042 -3.042 169 1HZ LYS 25 HZ1 LYS 25 4.308 -2.336 -2.336 170 2HZ LYS 25 HZ3 LYS 25 4.397 -1.369 -1.369 171 3HZ LYS 25 HZ2 LYS 25 2.889 -1.695 -1.695 172 H ILE 26 HN ILE 26 -2.608 -3.966 -3.966 173 HA ILE 26 HA ILE 26 -3.012 -5.079 -5.079 174 HB ILE 26 HB ILE 26 -5.141 -3.816 -3.816 175 1HG1 ILE 26 HG12 ILE 26 -2.889 -2.569 -2.569 176 2HG1 ILE 26 HG11 ILE 26 -3.578 -2.077 -2.077 177 1HG2 ILE 26 HG23 ILE 26 -5.571 -5.153 -5.153 178 2HG2 ILE 26 HG22 ILE 26 -4.813 -3.793 -3.793 179 3HG2 ILE 26 HG21 ILE 26 -6.282 -3.543 -3.543 180 1HD1 ILE 26 HD13 ILE 26 -5.721 -1.819 -1.819 181 2HD1 ILE 26 HD12 ILE 26 -4.367 -1.320 -1.320 182 3HD1 ILE 26 HD11 ILE 26 -4.673 -0.499 -0.499 183 H HIS 27 HN HIS 27 -4.454 -6.799 -6.799 184 HA HIS 27 HA HIS 27 -5.288 -8.244 -8.244 185 1HB HIS 27 HB2 HIS 27 -4.419 -10.035 -10.035 186 2HB HIS 27 HB1 HIS 27 -4.005 -10.067 -10.067 187 HD1 HIS 27 HD1 HIS 27 -2.416 -7.673 -7.673 188 HD2 HIS 27 HD2 HIS 27 -2.080 -9.672 -9.672 189 HE1 HIS 27 HE1 HIS 27 -0.240 -6.925 -6.925 190 H ALA 28 HN ALA 28 -7.427 -8.563 -8.563 191 HA ALA 28 HA ALA 28 -8.654 -8.858 -8.858 192 1HB ALA 28 HB1 ALA 28 -9.595 -7.825 -7.825 193 2HB ALA 28 HB3 ALA 28 -10.788 -8.606 -8.606 194 3HB ALA 28 HB2 ALA 28 -9.899 -7.200 -7.200 195 H VAL 29 HN VAL 29 -9.753 -10.780 -10.780 196 HA VAL 29 HA VAL 29 -10.020 -12.803 -12.803 197 HB VAL 29 HB VAL 29 -8.528 -13.011 -13.011 198 1HG1 VAL 29 HG13 VAL 29 -10.523 -14.414 -14.414 199 2HG1 VAL 29 HG12 VAL 29 -10.253 -15.317 -15.317 200 3HG1 VAL 29 HG11 VAL 29 -9.066 -15.390 -15.390 201 1HG2 VAL 29 HG23 VAL 29 -8.543 -14.514 -14.514 202 2HG2 VAL 29 HG22 VAL 29 -7.445 -13.212 -13.212 203 3HG2 VAL 29 HG21 VAL 29 -7.365 -14.764 -14.764 204 H ASP 30 HN ASP 30 -12.021 -13.621 -13.621 205 HA ASP 30 HA ASP 30 -13.902 -13.045 -13.045 206 1HB ASP 30 HB2 ASP 30 -15.537 -12.613 -12.613 207 2HB ASP 30 HB1 ASP 30 -14.131 -12.149 -12.149 208 HA PRO 31 HA PRO 31 -14.769 -17.332 -17.332 209 1HB PRO 31 HB2 PRO 31 -17.489 -17.607 -17.607 210 2HB PRO 31 HB1 PRO 31 -16.716 -16.883 -16.883 211 1HG PRO 31 HG2 PRO 31 -18.206 -15.548 -15.548 212 2HG PRO 31 HG1 PRO 31 -17.921 -14.995 -14.995 213 1HD PRO 31 HD2 PRO 31 -16.550 -14.126 -14.126 214 2HD PRO 31 HD1 PRO 31 -16.111 -13.751 -13.751 215 H ASP 32 HN ASP 32 -14.543 -16.273 -16.273 216 HA ASP 32 HA ASP 32 -15.696 -18.772 -18.772 217 1HB ASP 32 HB2 ASP 32 -15.222 -16.072 -16.072 218 2HB ASP 32 HB1 ASP 32 -15.814 -17.511 -17.511 219 H GLY 33 HN GLY 33 -12.899 -17.661 -17.661 220 1HA GLY 33 HA2 GLY 33 -10.681 -18.358 -18.358 221 2HA GLY 33 HA1 GLY 33 -11.280 -19.316 -19.316 222 H VAL 34 HN VAL 34 -12.022 -15.956 -15.956 223 HA VAL 34 HA VAL 34 -10.123 -15.087 -15.087 224 HB VAL 34 HB VAL 34 -12.989 -14.314 -14.314 225 1HG1 VAL 34 HG12 VAL 34 -10.562 -14.776 -14.776 226 2HG1 VAL 34 HG11 VAL 34 -12.171 -14.668 -14.668 227 3HG1 VAL 34 HG13 VAL 34 -11.514 -13.304 -13.304 228 1HG2 VAL 34 HG21 VAL 34 -11.840 -17.025 -17.025 229 2HG2 VAL 34 HG23 VAL 34 -13.234 -16.702 -16.702 230 3HG2 VAL 34 HG22 VAL 34 -13.321 -16.368 -16.368 231 H HIS 35 HN HIS 35 -10.653 -12.589 -12.589 232 HA HIS 35 HA HIS 35 -10.795 -11.396 -11.396 233 1HB HIS 35 HB2 HIS 35 -10.334 -9.875 -9.875 234 2HB HIS 35 HB1 HIS 35 -9.800 -9.462 -9.462 235 HD1 HIS 35 HD1 HIS 35 -7.454 -10.154 -10.154 236 HD2 HIS 35 HD2 HIS 35 -8.960 -12.336 -12.336 237 HE1 HIS 35 HE1 HIS 35 -5.560 -11.618 -11.618 238 H ARG 36 HN ARG 36 -13.120 -12.197 -12.197 239 HA ARG 36 HA ARG 36 -15.401 -11.836 -11.836 240 1HB ARG 36 HB2 ARG 36 -16.124 -9.487 -9.487 241 2HB ARG 36 HB1 ARG 36 -14.960 -10.057 -10.057 242 1HG ARG 36 HG2 ARG 36 -13.182 -8.814 -8.814 243 2HG ARG 36 HG1 ARG 36 -14.142 -8.473 -8.473 244 1HD ARG 36 HD2 ARG 36 -14.681 -7.443 -7.443 245 2HD ARG 36 HD1 ARG 36 -14.127 -6.495 -6.495 246 HE ARG 36 HE ARG 36 -16.389 -7.267 -7.267 247 1HH1 ARG 36 HH11 ARG 36 -15.872 -5.399 -5.399 248 2HH1 ARG 36 HH12 ARG 36 -17.456 -5.571 -5.571 249 1HH2 ARG 36 HH21 ARG 36 -18.413 -8.076 -8.076 250 2HH2 ARG 36 HH22 ARG 36 -18.896 -7.086 -7.086 251 H THR 37 HN THR 37 -15.163 -12.652 -12.652 252 HA THR 37 HA THR 37 -15.416 -12.420 -12.420 253 HB THR 37 HB THR 37 -17.080 -9.990 -9.990 254 HG1 THR 37 HG1 THR 37 -17.913 -10.744 -10.744 255 1HG2 THR 37 HG23 THR 37 -16.898 -12.320 -12.320 256 2HG2 THR 37 HG22 THR 37 -18.503 -12.262 -12.262 257 3HG2 THR 37 HG21 THR 37 -17.913 -10.892 -10.892 258 H ASP 38 HN ASP 38 -13.164 -11.669 -11.669 259 HA ASP 38 HA ASP 38 -12.147 -9.105 -9.105 260 1HB ASP 38 HB2 ASP 38 -11.306 -11.400 -11.400 261 2HB ASP 38 HB1 ASP 38 -11.558 -10.328 -10.328 262 H GLY 39 HN GLY 39 -11.864 -7.408 -7.408 263 1HA GLY 39 HA2 GLY 39 -12.685 -6.111 -6.111 264 2HA GLY 39 HA1 GLY 39 -13.987 -7.281 -7.281 265 H GLY 40 HN GLY 40 -14.958 -7.270 -7.270 266 1HA GLY 40 HA2 GLY 40 -15.868 -4.434 -4.434 267 2HA GLY 40 HA1 GLY 40 -17.020 -5.768 -5.768 268 H ASP 41 HN ASP 41 -13.880 -4.936 -4.936 269 HA ASP 41 HA ASP 41 -14.913 -6.169 -6.169 270 1HB ASP 41 HB2 ASP 41 -12.155 -5.168 -5.168 271 2HB ASP 41 HB1 ASP 41 -12.548 -5.866 -5.866 272 H GLY 42 HN GLY 42 -15.680 -4.876 -4.876 273 1HA GLY 42 HA2 GLY 42 -15.774 -2.001 -2.001 274 2HA GLY 42 HA1 GLY 42 -16.257 -2.892 -2.892 275 H PHE 43 HN PHE 43 -13.244 -2.196 -2.196 276 HA PHE 43 HA PHE 43 -11.811 -2.061 -2.061 277 1HB PHE 43 HB2 PHE 43 -11.180 -3.085 -3.085 278 2HB PHE 43 HB1 PHE 43 -10.096 -1.729 -1.729 279 HD1 PHE 43 HD2 PHE 43 -9.810 -1.875 -1.875 280 HD2 PHE 43 HD1 PHE 43 -9.826 -4.964 -4.964 281 HE1 PHE 43 HE2 PHE 43 -8.409 -3.318 -3.318 282 HE2 PHE 43 HE1 PHE 43 -8.414 -6.390 -6.390 283 HZ PHE 43 HZ PHE 43 -7.715 -5.567 -5.567 284 H VAL 44 HN VAL 44 -11.552 -0.070 -0.070 285 HA VAL 44 HA VAL 44 -10.982 2.177 2.177 286 HB VAL 44 HB VAL 44 -13.021 2.998 2.998 287 1HG1 VAL 44 HG13 VAL 44 -12.806 0.913 0.913 288 2HG1 VAL 44 HG12 VAL 44 -13.575 2.367 2.367 289 3HG1 VAL 44 HG11 VAL 44 -14.235 1.560 1.560 290 1HG2 VAL 44 HG21 VAL 44 -11.345 3.614 3.614 291 2HG2 VAL 44 HG23 VAL 44 -11.438 4.581 4.581 292 3HG2 VAL 44 HG22 VAL 44 -12.847 4.436 4.436 293 H VAL 45 HN VAL 45 -8.907 2.713 2.713 294 HA VAL 45 HA VAL 45 -7.868 2.580 2.580 295 HB VAL 45 HB VAL 45 -6.125 2.374 2.374 296 1HG1 VAL 45 HG13 VAL 45 -5.937 1.468 1.468 297 2HG1 VAL 45 HG12 VAL 45 -4.758 1.028 1.028 298 3HG1 VAL 45 HG11 VAL 45 -4.977 2.720 2.720 299 1HG2 VAL 45 HG23 VAL 45 -8.170 0.515 0.515 300 2HG2 VAL 45 HG22 VAL 45 -6.939 0.356 0.356 301 3HG2 VAL 45 HG21 VAL 45 -6.616 -0.209 -0.209 302 H THR 46 HN THR 46 -6.368 4.245 4.245 303 HA THR 46 HA THR 46 -5.845 6.408 6.408 304 HB THR 46 HB THR 46 -7.050 7.906 7.906 305 HG1 THR 46 HG1 THR 46 -8.676 6.829 6.829 306 1HG2 THR 46 HG21 THR 46 -7.716 7.061 7.061 307 2HG2 THR 46 HG23 THR 46 -8.972 7.892 7.892 308 3HG2 THR 46 HG22 THR 46 -7.416 8.676 8.676 309 H ILE 47 HN ILE 47 -3.958 7.291 7.291 310 HA ILE 47 HA ILE 47 -3.055 7.153 7.153 311 HB ILE 47 HB ILE 47 -1.559 6.638 6.638 312 1HG1 ILE 47 HG12 ILE 47 -2.143 5.260 5.260 313 2HG1 ILE 47 HG11 ILE 47 -1.741 4.583 4.583 314 1HG2 ILE 47 HG21 ILE 47 -0.327 7.700 7.700 315 2HG2 ILE 47 HG23 ILE 47 0.582 7.056 7.056 316 3HG2 ILE 47 HG22 ILE 47 -0.358 8.529 8.529 317 1HD1 ILE 47 HD13 ILE 47 0.655 5.434 5.434 318 2HD1 ILE 47 HD12 ILE 47 0.143 5.601 5.601 319 3HD1 ILE 47 HD11 ILE 47 0.123 4.016 4.016 320 H GLU 48 HN GLU 48 -1.697 8.950 8.950 321 HA GLU 48 HA GLU 48 -1.183 11.096 11.096 322 1HB GLU 48 HB2 GLU 48 -2.871 12.560 12.560 323 2HB GLU 48 HB1 GLU 48 -3.180 12.157 12.157 324 1HG GLU 48 HG2 GLU 48 -4.572 10.368 10.368 325 2HG GLU 48 HG1 GLU 48 -3.836 10.141 10.141 326 H GLY 49 HN GLY 49 -0.057 12.817 12.817 327 1HA GLY 49 HA2 GLY 49 0.495 12.813 12.813 328 2HA GLY 49 HA1 GLY 49 1.863 12.359 12.359 329 HA PRO 50 HA PRO 50 1.689 16.982 16.982 330 1HB PRO 50 HB2 PRO 50 4.281 17.289 17.289 331 2HB PRO 50 HB1 PRO 50 2.891 17.120 17.120 332 1HG PRO 50 HG2 PRO 50 4.989 15.112 15.112 333 2HG PRO 50 HG1 PRO 50 4.027 15.264 15.264 334 1HD PRO 50 HD2 PRO 50 3.558 13.407 13.407 335 2HD PRO 50 HD1 PRO 50 2.406 13.842 13.842 336 H ALA 51 HN ALA 51 1.660 16.230 16.230 337 HA ALA 51 HA ALA 51 4.058 17.306 17.306 338 1HB ALA 51 HB1 ALA 51 3.953 14.554 14.554 339 2HB ALA 51 HB3 ALA 51 3.396 14.740 14.740 340 3HB ALA 51 HB2 ALA 51 4.969 15.374 15.374 341 HA PRO 52 HA PRO 52 1.198 18.247 18.247 342 1HB PRO 52 HB2 PRO 52 2.594 17.678 17.678 343 2HB PRO 52 HB1 PRO 52 2.943 19.070 19.070 344 1HG PRO 52 HG2 PRO 52 4.463 16.522 16.522 345 2HG PRO 52 HG1 PRO 52 5.041 18.121 18.121 346 1HD PRO 52 HD2 PRO 52 4.511 15.951 15.951 347 2HD PRO 52 HD1 PRO 52 4.767 17.638 17.638 348 H VAL 53 HN VAL 53 2.835 15.226 15.226 349 HA VAL 53 HA VAL 53 0.295 14.237 14.237 350 HB VAL 53 HB VAL 53 2.879 12.687 12.687 351 1HG1 VAL 53 HG13 VAL 53 0.329 12.239 12.239 352 2HG1 VAL 53 HG12 VAL 53 1.414 12.565 12.565 353 3HG1 VAL 53 HG11 VAL 53 1.781 11.264 11.264 354 1HG2 VAL 53 HG22 VAL 53 3.179 15.094 15.094 355 2HG2 VAL 53 HG21 VAL 53 3.736 13.783 13.783 356 3HG2 VAL 53 HG23 VAL 53 2.197 14.578 14.578 357 H ASP 54 HN ASP 54 -0.664 14.218 14.218 358 HA ASP 54 HA ASP 54 0.398 12.082 12.082 359 1HB ASP 54 HB2 ASP 54 -1.875 14.045 14.045 360 2HB ASP 54 HB1 ASP 54 -1.429 12.832 12.832 361 HA PRO 55 HA PRO 55 -3.859 10.208 10.208 362 1HB PRO 55 HB2 PRO 55 -5.323 11.387 11.387 363 2HB PRO 55 HB1 PRO 55 -5.452 11.851 11.851 364 1HG PRO 55 HG2 PRO 55 -4.154 13.312 13.312 365 2HG PRO 55 HG1 PRO 55 -4.808 13.944 13.944 366 1HD PRO 55 HD2 PRO 55 -2.061 13.482 13.482 367 2HD PRO 55 HD1 PRO 55 -2.749 13.899 13.899 368 H VAL 56 HN VAL 56 -2.564 8.510 8.510 369 HA VAL 56 HA VAL 56 -2.640 8.578 8.578 370 HB VAL 56 HB VAL 56 -0.388 7.464 7.464 371 1HG1 VAL 56 HG13 VAL 56 -1.149 7.481 7.481 372 2HG1 VAL 56 HG12 VAL 56 0.455 8.175 8.175 373 3HG1 VAL 56 HG11 VAL 56 0.106 6.544 6.544 374 1HG2 VAL 56 HG21 VAL 56 -1.008 10.230 10.230 375 2HG2 VAL 56 HG23 VAL 56 0.272 9.608 9.608 376 3HG2 VAL 56 HG22 VAL 56 0.528 9.719 9.719 377 H MET 57 HN MET 57 -4.381 7.039 7.039 378 HA MET 57 HA MET 57 -3.453 4.329 4.329 379 1HB MET 57 HB2 MET 57 -5.489 3.731 3.731 380 2HB MET 57 HB1 MET 57 -4.934 5.236 5.236 381 1HG MET 57 HG2 MET 57 -6.837 5.311 5.311 382 2HG MET 57 HG1 MET 57 -7.444 5.013 5.013 383 1HE MET 57 HE1 MET 57 -8.181 7.057 7.057 384 2HE MET 57 HE3 MET 57 -7.964 8.729 8.729 385 3HE MET 57 HE2 MET 57 -6.773 7.979 7.979 386 H VAL 58 HN VAL 58 -3.938 2.790 2.790 387 HA VAL 58 HA VAL 58 -5.865 3.522 3.522 388 HB VAL 58 HB VAL 58 -3.570 1.898 1.898 389 1HG1 VAL 58 HG12 VAL 58 -5.060 4.331 4.331 390 2HG1 VAL 58 HG11 VAL 58 -3.678 3.640 3.640 391 3HG1 VAL 58 HG13 VAL 58 -5.139 2.682 2.682 392 1HG2 VAL 58 HG21 VAL 58 -2.477 3.511 3.511 393 2HG2 VAL 58 HG23 VAL 58 -1.974 3.737 3.737 394 3HG2 VAL 58 HG22 VAL 58 -3.147 4.837 4.837 395 H ASP 59 HN ASP 59 -6.750 1.659 1.659 396 HA ASP 59 HA ASP 59 -6.618 -0.855 -0.855 397 1HB ASP 59 HB2 ASP 59 -8.837 -0.073 -0.073 398 2HB ASP 59 HB1 ASP 59 -8.882 0.501 0.501 399 H ASN 60 HN ASN 60 -5.828 -2.612 -2.612 400 HA ASN 60 HA ASN 60 -5.234 -2.301 -2.301 401 1HB ASN 60 HB2 ASN 60 -4.042 -3.689 -3.689 402 2HB ASN 60 HB1 ASN 60 -4.552 -4.906 -4.906 403 1HD2 ASN 60 HD22 ASN 60 -1.543 -4.202 -4.202 404 2HD2 ASN 60 HD21 ASN 60 -2.441 -5.357 -5.357 405 H GLY 61 HN GLY 61 -7.707 -3.771 -3.771 406 1HA GLY 61 HA2 GLY 61 -9.647 -4.830 -4.830 407 2HA GLY 61 HA1 GLY 61 -8.978 -4.722 -4.722 408 H ASP 62 HN ASP 62 -6.844 -6.105 -6.105 409 HA ASP 62 HA ASP 62 -7.515 -8.814 -8.814 410 1HB ASP 62 HB2 ASP 62 -5.190 -9.379 -9.379 411 2HB ASP 62 HB1 ASP 62 -5.275 -7.797 -7.797 412 H GLY 63 HN GLY 63 -8.633 -7.520 -7.520 413 1HA GLY 63 HA2 GLY 63 -9.279 -8.398 -8.398 414 2HA GLY 63 HA1 GLY 63 -8.174 -9.745 -9.745 415 H THR 64 HN THR 64 -6.364 -7.106 -7.106 416 HA THR 64 HA THR 64 -5.588 -6.687 -6.687 417 HB THR 64 HB THR 64 -3.198 -6.628 -6.628 418 HG1 THR 64 HG1 THR 64 -3.069 -8.011 -8.011 419 1HG2 THR 64 HG23 THR 64 -4.375 -8.581 -8.581 420 2HG2 THR 64 HG22 THR 64 -4.505 -9.318 -9.318 421 3HG2 THR 64 HG21 THR 64 -2.917 -8.969 -8.969 422 H TYR 65 HN TYR 65 -4.708 -4.589 -4.589 423 HA TYR 65 HA TYR 65 -4.988 -2.657 -2.657 424 1HB TYR 65 HB2 TYR 65 -5.807 -2.315 -2.315 425 2HB TYR 65 HB1 TYR 65 -5.789 -1.007 -1.007 426 HD1 TYR 65 HD2 TYR 65 -6.950 -4.569 -4.569 427 HD2 TYR 65 HD1 TYR 65 -7.775 -0.587 -0.587 428 HE1 TYR 65 HE2 TYR 65 -9.091 -5.341 -5.341 429 HE2 TYR 65 HE1 TYR 65 -9.923 -1.358 -1.358 430 HH TYR 65 HH TYR 65 -11.558 -3.280 -3.280 431 H ASP 66 HN ASP 66 -3.599 -0.753 -0.753 432 HA ASP 66 HA ASP 66 -1.242 -1.163 -1.163 433 1HB ASP 66 HB2 ASP 66 -0.003 -0.049 -0.049 434 2HB ASP 66 HB1 ASP 66 -0.323 -1.783 -1.783 435 H VAL 67 HN VAL 67 -0.685 0.621 0.621 436 HA VAL 67 HA VAL 67 -1.744 3.240 3.240 437 HB VAL 67 HB VAL 67 -2.315 3.835 3.835 438 1HG1 VAL 67 HG12 VAL 67 -2.871 0.878 0.878 439 2HG1 VAL 67 HG11 VAL 67 -3.680 1.888 1.888 440 3HG1 VAL 67 HG13 VAL 67 -3.902 2.210 2.210 441 1HG2 VAL 67 HG23 VAL 67 -0.330 1.774 1.774 442 2HG2 VAL 67 HG22 VAL 67 -0.691 3.304 3.304 443 3HG2 VAL 67 HG21 VAL 67 -1.713 1.894 1.894 444 H GLU 68 HN GLU 68 -0.219 5.040 5.040 445 HA GLU 68 HA GLU 68 2.410 4.387 4.387 446 1HB GLU 68 HB2 GLU 68 2.447 5.521 5.521 447 2HB GLU 68 HB1 GLU 68 3.685 4.589 4.589 448 1HG GLU 68 HG2 GLU 68 2.847 3.025 3.025 449 2HG GLU 68 HG1 GLU 68 1.893 2.661 2.661 450 H PHE 69 HN PHE 69 3.216 6.142 6.142 451 HA PHE 69 HA PHE 69 2.673 8.814 8.814 452 1HB PHE 69 HB2 PHE 69 2.230 9.851 9.851 453 2HB PHE 69 HB1 PHE 69 1.082 8.536 8.536 454 HD1 PHE 69 HD1 PHE 69 2.198 6.143 6.143 455 HD2 PHE 69 HD2 PHE 69 3.125 10.048 10.048 456 HE1 PHE 69 HE1 PHE 69 2.988 5.142 5.142 457 HE2 PHE 69 HE2 PHE 69 3.911 9.036 9.036 458 HZ PHE 69 HZ PHE 69 3.821 6.568 6.568 459 H GLU 70 HN GLU 70 4.437 10.364 10.364 460 HA GLU 70 HA GLU 70 6.795 9.169 9.169 461 1HB GLU 70 HB2 GLU 70 8.235 9.477 9.477 462 2HB GLU 70 HB1 GLU 70 6.891 8.407 8.407 463 1HG GLU 70 HG2 GLU 70 6.346 9.786 9.786 464 2HG GLU 70 HG1 GLU 70 5.984 11.041 11.041 465 HA PRO 71 HA PRO 71 6.629 13.655 13.655 466 1HB PRO 71 HB2 PRO 71 7.463 13.393 13.393 467 2HB PRO 71 HB1 PRO 71 5.773 13.225 13.225 468 1HG PRO 71 HG2 PRO 71 7.703 11.107 11.107 469 2HG PRO 71 HG1 PRO 71 5.935 11.099 11.099 470 1HD PRO 71 HD2 PRO 71 7.546 9.815 9.815 471 2HD PRO 71 HD1 PRO 71 5.786 10.042 10.042 472 H LYS 72 HN LYS 72 8.432 15.060 15.060 473 HA LYS 72 HA LYS 72 11.170 13.940 13.940 474 1HB LYS 72 HB2 LYS 72 10.804 16.755 16.755 475 2HB LYS 72 HB1 LYS 72 11.754 15.482 15.482 476 1HG LYS 72 HG2 LYS 72 9.667 14.494 14.494 477 2HG LYS 72 HG1 LYS 72 8.743 15.813 15.813 478 1HD LYS 72 HD2 LYS 72 11.006 16.783 16.783 479 2HD LYS 72 HD1 LYS 72 9.881 15.822 15.822 480 1HE LYS 72 HE2 LYS 72 8.313 17.492 17.492 481 2HE LYS 72 HE1 LYS 72 9.559 18.510 18.510 482 1HZ LYS 72 HZ2 LYS 72 8.067 16.592 16.592 483 2HZ LYS 72 HZ1 LYS 72 7.385 18.101 18.101 484 3HZ LYS 72 HZ3 LYS 72 8.856 18.024 18.024 485 H GLU 73 HN GLU 73 9.657 14.600 14.600 486 HA GLU 73 HA GLU 73 11.749 16.284 16.284 487 1HB GLU 73 HB2 GLU 73 10.152 17.854 17.854 488 2HB GLU 73 HB1 GLU 73 9.980 17.890 17.890 489 1HG GLU 73 HG2 GLU 73 7.925 16.846 16.846 490 2HG GLU 73 HG1 GLU 73 8.292 15.940 15.940 491 H ALA 74 HN ALA 74 10.421 16.599 16.599 492 HA ALA 74 HA ALA 74 10.394 13.790 13.790 493 1HB ALA 74 HB2 ALA 74 10.253 16.398 16.398 494 2HB ALA 74 HB1 ALA 74 10.390 14.790 14.790 495 3HB ALA 74 HB3 ALA 74 11.710 15.441 15.441 496 H GLY 75 HN GLY 75 8.433 12.769 12.769 497 1HA GLY 75 HA2 GLY 75 6.052 14.298 14.298 498 2HA GLY 75 HA1 GLY 75 6.038 13.724 13.724 499 H ASP 76 HN ASP 76 4.143 12.918 12.918 500 HA ASP 76 HA ASP 76 4.868 10.057 10.057 501 1HB ASP 76 HB2 ASP 76 2.831 10.180 10.180 502 2HB ASP 76 HB1 ASP 76 4.253 11.079 11.079 503 H TYR 77 HN TYR 77 3.147 8.527 8.527 504 HA TYR 77 HA TYR 77 1.497 9.536 9.536 505 1HB TYR 77 HB2 TYR 77 2.212 6.658 6.658 506 2HB TYR 77 HB1 TYR 77 1.633 7.392 7.392 507 HD1 TYR 77 HD1 TYR 77 3.433 9.915 9.915 508 HD2 TYR 77 HD2 TYR 77 4.154 5.691 5.691 509 HE1 TYR 77 HE1 TYR 77 5.746 10.291 10.291 510 HE2 TYR 77 HE2 TYR 77 6.462 6.054 6.054 511 HH TYR 77 HH TYR 77 7.730 9.353 9.353 512 H VAL 78 HN VAL 78 -0.615 9.137 9.137 513 HA VAL 78 HA VAL 78 -1.782 7.518 7.518 514 HB VAL 78 HB VAL 78 -2.591 9.678 9.678 515 1HG1 VAL 78 HG13 VAL 78 -2.599 9.919 9.919 516 2HG1 VAL 78 HG12 VAL 78 -3.574 11.014 11.014 517 3HG1 VAL 78 HG11 VAL 78 -1.825 10.963 10.963 518 1HG2 VAL 78 HG22 VAL 78 -4.326 7.720 7.720 519 2HG2 VAL 78 HG21 VAL 78 -4.786 9.160 9.160 520 3HG2 VAL 78 HG23 VAL 78 -4.843 9.174 9.174 521 H ILE 79 HN ILE 79 -2.800 5.765 5.765 522 HA ILE 79 HA ILE 79 -3.236 5.596 5.596 523 HB ILE 79 HB ILE 79 -3.408 3.046 3.046 524 1HG1 ILE 79 HG12 ILE 79 -0.928 4.733 4.733 525 2HG1 ILE 79 HG11 ILE 79 -1.916 3.939 3.939 526 1HG2 ILE 79 HG22 ILE 79 -2.975 3.507 3.507 527 2HG2 ILE 79 HG21 ILE 79 -1.382 4.119 4.119 528 3HG2 ILE 79 HG23 ILE 79 -1.791 2.427 2.427 529 1HD1 ILE 79 HD12 ILE 79 -1.215 1.872 1.872 530 2HD1 ILE 79 HD11 ILE 79 0.251 2.844 2.844 531 3HD1 ILE 79 HD13 ILE 79 -0.495 2.191 2.191 532 H ASN 80 HN ASN 80 -4.916 4.383 4.383 533 HA ASN 80 HA ASN 80 -7.263 3.882 3.882 534 1HB ASN 80 HB2 ASN 80 -7.601 5.565 5.565 535 2HB ASN 80 HB1 ASN 80 -8.704 5.352 5.352 536 1HD2 ASN 80 HD22 ASN 80 -7.345 7.998 7.998 537 2HD2 ASN 80 HD21 ASN 80 -8.543 6.802 6.802 538 H LEU 81 HN LEU 81 -7.675 1.847 1.847 539 HA LEU 81 HA LEU 81 -7.733 1.174 1.174 540 1HB LEU 81 HB2 LEU 81 -5.597 0.312 0.312 541 2HB LEU 81 HB1 LEU 81 -6.362 -0.379 -0.379 542 HG LEU 81 HG LEU 81 -5.788 -1.886 -1.886 543 1HD1 LEU 81 HD11 LEU 81 -7.209 -2.208 -2.208 544 2HD1 LEU 81 HD13 LEU 81 -8.527 -2.339 -2.339 545 3HD1 LEU 81 HD12 LEU 81 -7.155 -3.443 -3.443 546 1HD2 LEU 81 HD22 LEU 81 -7.501 -0.176 -0.176 547 2HD2 LEU 81 HD21 LEU 81 -7.235 -1.836 -1.836 548 3HD2 LEU 81 HD23 LEU 81 -8.617 -1.441 -1.441 549 H THR 82 HN THR 82 -9.781 0.495 0.495 550 HA THR 82 HA THR 82 -11.130 -1.002 -1.002 551 HB THR 82 HB THR 82 -13.224 0.283 0.283 552 HG1 THR 82 HG1 THR 82 -11.443 1.200 1.200 553 1HG2 THR 82 HG23 THR 82 -11.068 1.026 1.026 554 2HG2 THR 82 HG22 THR 82 -12.036 2.398 2.398 555 3HG2 THR 82 HG21 THR 82 -12.812 1.028 1.028 556 H LEU 83 HN LEU 83 -12.256 -2.773 -2.773 557 HA LEU 83 HA LEU 83 -13.085 -3.114 -3.114 558 1HB LEU 83 HB2 LEU 83 -10.862 -4.278 -4.278 559 2HB LEU 83 HB1 LEU 83 -11.683 -5.342 -5.342 560 HG LEU 83 HG LEU 83 -11.438 -6.110 -6.110 561 1HD1 LEU 83 HD12 LEU 83 -12.919 -7.047 -7.047 562 2HD1 LEU 83 HD11 LEU 83 -14.246 -6.230 -6.230 563 3HD1 LEU 83 HD13 LEU 83 -13.328 -7.484 -7.484 564 1HD2 LEU 83 HD22 LEU 83 -12.469 -3.835 -3.835 565 2HD2 LEU 83 HD21 LEU 83 -13.060 -5.299 -5.299 566 3HD2 LEU 83 HD23 LEU 83 -14.012 -4.537 -4.537 567 H ASP 84 HN ASP 84 -15.136 -2.601 -2.601 568 HA ASP 84 HA ASP 84 -17.099 -4.327 -4.327 569 1HB ASP 84 HB2 ASP 84 -15.363 -4.979 -4.979 570 2HB ASP 84 HB1 ASP 84 -17.112 -5.158 -5.158 571 H GLY 85 HN GLY 85 -15.412 -1.889 -1.889 572 1HA GLY 85 HA2 GLY 85 -16.922 0.190 0.190 573 2HA GLY 85 HA1 GLY 85 -17.968 -0.880 -0.880 574 H ASP 86 HN ASP 86 -14.790 -1.828 -1.828 575 HA ASP 86 HA ASP 86 -14.539 0.072 0.072 576 1HB ASP 86 HB2 ASP 86 -14.993 -2.783 -2.783 577 2HB ASP 86 HB1 ASP 86 -13.412 -2.407 -2.407 578 H ASN 87 HN ASN 87 -12.144 -0.215 -0.215 579 HA ASN 87 HA ASN 87 -10.390 -0.280 -0.280 580 1HB ASN 87 HB2 ASN 87 -9.833 0.910 0.910 581 2HB ASN 87 HB1 ASN 87 -8.833 1.086 1.086 582 1HD2 ASN 87 HD22 ASN 87 -10.831 3.648 3.648 583 2HD2 ASN 87 HD21 ASN 87 -9.500 2.617 2.617 584 H VAL 88 HN VAL 88 -8.313 -1.382 -1.382 585 HA VAL 88 HA VAL 88 -8.501 -3.893 -3.893 586 HB VAL 88 HB VAL 88 -6.356 -2.469 -2.469 587 1HG1 VAL 88 HG12 VAL 88 -5.181 -3.526 -3.526 588 2HG1 VAL 88 HG11 VAL 88 -5.914 -5.069 -5.069 589 3HG1 VAL 88 HG13 VAL 88 -4.776 -4.292 -4.292 590 1HG2 VAL 88 HG22 VAL 88 -8.213 -3.842 -3.842 591 2HG2 VAL 88 HG21 VAL 88 -6.590 -4.388 -4.388 592 3HG2 VAL 88 HG23 VAL 88 -7.522 -5.251 -5.251 593 H ASN 89 HN ASN 89 -6.629 -4.589 -4.589 594 HA ASN 89 HA ASN 89 -6.807 -2.757 -2.757 595 1HB ASN 89 HB2 ASN 89 -6.995 -5.217 -5.217 596 2HB ASN 89 HB1 ASN 89 -5.310 -5.377 -5.377 597 1HD2 ASN 89 HD22 ASN 89 -6.005 -3.471 -3.471 598 2HD2 ASN 89 HD21 ASN 89 -7.087 -3.226 -3.226 599 H GLY 90 HN GLY 90 -5.050 -2.057 -2.057 600 1HA GLY 90 HA2 GLY 90 -2.783 -1.108 -1.108 601 2HA GLY 90 HA1 GLY 90 -2.362 -2.119 -2.119 602 H PHE 91 HN PHE 91 -5.161 -0.152 -0.152 603 HA PHE 91 HA PHE 91 -3.579 1.621 1.621 604 1HB PHE 91 HB2 PHE 91 -6.132 0.223 0.223 605 2HB PHE 91 HB1 PHE 91 -6.116 1.886 1.886 606 HD1 PHE 91 HD2 PHE 91 -4.581 2.571 2.571 607 HD2 PHE 91 HD1 PHE 91 -4.638 -1.449 -1.449 608 HE1 PHE 91 HE2 PHE 91 -3.195 1.879 1.879 609 HE2 PHE 91 HE1 PHE 91 -3.244 -2.161 -2.161 610 HZ PHE 91 HZ PHE 91 -2.530 -0.511 -0.511 611 HA PRO 92 HA PRO 92 -6.616 4.636 4.636 612 1HB PRO 92 HB2 PRO 92 -7.869 3.881 3.881 613 2HB PRO 92 HB1 PRO 92 -8.603 3.740 3.740 614 1HG PRO 92 HG2 PRO 92 -7.457 1.602 1.602 615 2HG PRO 92 HG1 PRO 92 -8.717 1.488 1.488 616 1HD PRO 92 HD2 PRO 92 -6.034 0.714 0.714 617 2HD PRO 92 HD1 PRO 92 -7.187 0.957 0.957 618 H LYS 93 HN LYS 93 -4.024 3.074 3.074 619 HA LYS 93 HA LYS 93 -3.548 4.592 4.592 620 1HB LYS 93 HB2 LYS 93 -3.036 2.047 2.047 621 2HB LYS 93 HB1 LYS 93 -1.656 2.595 2.595 622 1HG LYS 93 HG2 LYS 93 -0.616 3.596 3.596 623 2HG LYS 93 HG1 LYS 93 -2.136 3.851 3.851 624 1HD LYS 93 HD2 LYS 93 -2.145 1.163 1.163 625 2HD LYS 93 HD1 LYS 93 -0.402 1.432 1.432 626 1HE LYS 93 HE2 LYS 93 -1.129 3.199 3.199 627 2HE LYS 93 HE1 LYS 93 -2.345 1.945 1.945 628 1HZ LYS 93 HZ3 LYS 93 0.143 0.724 0.724 629 2HZ LYS 93 HZ2 LYS 93 0.333 1.913 1.913 630 3HZ LYS 93 HZ1 LYS 93 -0.826 0.687 0.687 631 H THR 94 HN THR 94 -1.131 5.343 5.343 632 HA THR 94 HA THR 94 -0.561 6.642 6.642 633 HB THR 94 HB THR 94 -0.212 7.872 7.872 634 HG1 THR 94 HG1 THR 94 -2.423 7.488 7.488 635 1HG2 THR 94 HG22 THR 94 0.983 8.466 8.466 636 2HG2 THR 94 HG21 THR 94 -0.343 9.623 9.623 637 3HG2 THR 94 HG23 THR 94 0.875 9.538 9.538 638 H VAL 95 HN VAL 95 1.445 6.352 6.352 639 HA VAL 95 HA VAL 95 3.390 5.159 5.159 640 HB VAL 95 HB VAL 95 3.220 5.132 5.132 641 1HG1 VAL 95 HG12 VAL 95 5.579 5.770 5.770 642 2HG1 VAL 95 HG11 VAL 95 5.630 4.155 4.155 643 3HG1 VAL 95 HG13 VAL 95 5.449 4.357 4.357 644 1HG2 VAL 95 HG22 VAL 95 2.505 3.358 3.358 645 2HG2 VAL 95 HG21 VAL 95 2.746 2.948 2.948 646 3HG2 VAL 95 HG23 VAL 95 4.067 2.750 2.750 647 H THR 96 HN THR 96 5.625 6.102 6.102 648 HA THR 96 HA THR 96 5.477 8.999 8.999 649 HB THR 96 HB THR 96 6.812 7.682 7.682 650 HG1 THR 96 HG1 THR 96 4.736 7.893 7.893 651 1HG2 THR 96 HG23 THR 96 6.831 10.513 10.513 652 2HG2 THR 96 HG22 THR 96 7.117 10.152 10.152 653 3HG2 THR 96 HG21 THR 96 8.205 9.512 9.512 654 H VAL 97 HN VAL 97 7.102 9.953 9.953 655 HA VAL 97 HA VAL 97 9.668 8.494 8.494 656 HB VAL 97 HB VAL 97 7.888 9.904 9.904 657 1HG1 VAL 97 HG12 VAL 97 10.900 9.747 9.747 658 2HG1 VAL 97 HG11 VAL 97 9.898 10.040 10.040 659 3HG1 VAL 97 HG13 VAL 97 9.903 11.203 11.203 660 1HG2 VAL 97 HG22 VAL 97 9.511 7.392 7.392 661 2HG2 VAL 97 HG21 VAL 97 7.837 7.594 7.594 662 3HG2 VAL 97 HG23 VAL 97 9.152 8.081 8.081 663 H LYS 98 HN LYS 98 11.417 9.744 9.744 664 HA LYS 98 HA LYS 98 10.822 12.625 12.625 665 1HB LYS 98 HB2 LYS 98 12.062 10.544 10.544 666 2HB LYS 98 HB1 LYS 98 12.852 12.121 12.121 667 1HG LYS 98 HG2 LYS 98 11.261 12.634 12.634 668 2HG LYS 98 HG1 LYS 98 10.211 12.834 12.834 669 1HD LYS 98 HD2 LYS 98 8.918 11.283 11.283 670 2HD LYS 98 HD1 LYS 98 10.054 10.139 10.139 671 1HE LYS 98 HE2 LYS 98 11.480 10.582 10.582 672 2HE LYS 98 HE1 LYS 98 9.973 11.202 11.202 673 1HZ LYS 98 HZ3 LYS 98 10.246 8.528 8.528 674 2HZ LYS 98 HZ2 LYS 98 10.363 8.803 8.803 675 3HZ LYS 98 HZ1 LYS 98 8.909 9.126 9.126 676 HA PRO 99 HA PRO 99 15.386 12.837 12.837 677 1HB PRO 99 HB2 PRO 99 16.795 10.513 10.513 678 2HB PRO 99 HB1 PRO 99 16.688 11.339 11.339 679 1HG PRO 99 HG2 PRO 99 15.284 8.866 8.866 680 2HG PRO 99 HG1 PRO 99 15.787 9.328 9.328 681 1HD PRO 99 HD2 PRO 99 13.173 9.505 9.505 682 2HD PRO 99 HD1 PRO 99 13.799 10.377 10.377 683 H ALA 100 HN ALA 100 13.964 13.338 13.338 684 HA ALA 100 HA ALA 100 13.931 11.399 11.399 685 1HB ALA 100 HB3 ALA 100 12.442 13.633 13.633 686 2HB ALA 100 HB2 ALA 100 13.535 14.237 14.237 687 3HB ALA 100 HB1 ALA 100 12.509 12.845 12.845 Start of MODEL 7 1 1H ALA 1 HT2 ALA 1 -18.237 -11.398 -11.398 2 2H ALA 1 HT1 ALA 1 -19.455 -11.167 -11.167 3 3H ALA 1 HT3 ALA 1 -18.452 -12.533 -12.533 4 HA ALA 1 HA ALA 1 -17.570 -11.146 -11.146 5 1HB ALA 1 HB1 ALA 1 -18.931 -9.173 -9.173 6 2HB ALA 1 HB3 ALA 1 -17.829 -8.876 -8.876 7 3HB ALA 1 HB2 ALA 1 -17.255 -8.739 -8.739 8 H ASP 2 HN ASP 2 -15.576 -9.172 -9.172 9 HA ASP 2 HA ASP 2 -13.671 -11.058 -11.058 10 1HB ASP 2 HB2 ASP 2 -13.045 -10.621 -10.621 11 2HB ASP 2 HB1 ASP 2 -13.233 -8.885 -8.885 12 HA PRO 3 HA PRO 3 -13.821 -6.990 -6.990 13 1HB PRO 3 HB2 PRO 3 -15.606 -7.612 -7.612 14 2HB PRO 3 HB1 PRO 3 -16.077 -6.770 -6.770 15 1HG PRO 3 HG2 PRO 3 -16.544 -9.617 -9.617 16 2HG PRO 3 HG1 PRO 3 -17.506 -8.569 -8.569 17 1HD PRO 3 HD2 PRO 3 -15.722 -10.562 -10.562 18 2HD PRO 3 HD1 PRO 3 -16.373 -9.230 -9.230 19 H GLU 4 HN GLU 4 -13.275 -10.254 -10.254 20 HA GLU 4 HA GLU 4 -11.823 -9.962 -9.962 21 1HB GLU 4 HB2 GLU 4 -13.973 -11.688 -11.688 22 2HB GLU 4 HB1 GLU 4 -12.523 -12.674 -12.674 23 1HG GLU 4 HG2 GLU 4 -12.164 -11.945 -11.945 24 2HG GLU 4 HG1 GLU 4 -13.279 -10.590 -10.590 25 H LYS 5 HN LYS 5 -11.262 -10.180 -10.180 26 HA LYS 5 HA LYS 5 -8.770 -11.714 -11.714 27 1HB LYS 5 HB2 LYS 5 -11.061 -12.671 -12.671 28 2HB LYS 5 HB1 LYS 5 -9.613 -12.545 -12.545 29 1HG LYS 5 HG2 LYS 5 -8.434 -14.096 -14.096 30 2HG LYS 5 HG1 LYS 5 -9.383 -13.782 -13.782 31 1HD LYS 5 HD2 LYS 5 -10.963 -14.827 -14.827 32 2HD LYS 5 HD1 LYS 5 -9.739 -15.948 -15.948 33 1HE LYS 5 HE2 LYS 5 -10.904 -14.824 -14.824 34 2HE LYS 5 HE1 LYS 5 -12.252 -15.179 -15.179 35 1HZ LYS 5 HZ3 LYS 5 -11.062 -17.412 -17.412 36 2HZ LYS 5 HZ2 LYS 5 -10.238 -17.022 -17.022 37 3HZ LYS 5 HZ1 LYS 5 -11.931 -17.162 -17.162 38 H SER 6 HN SER 6 -9.403 -8.940 -8.940 39 HA SER 6 HA SER 6 -8.253 -8.400 -8.400 40 1HB SER 6 HB2 SER 6 -9.820 -6.576 -6.576 41 2HB SER 6 HB1 SER 6 -9.167 -6.120 -6.120 42 HG SER 6 HG SER 6 -10.764 -7.098 -7.098 43 H TYR 7 HN TYR 7 -6.105 -8.026 -8.026 44 HA TYR 7 HA TYR 7 -5.200 -6.266 -6.266 45 1HB TYR 7 HB2 TYR 7 -3.054 -7.896 -7.896 46 2HB TYR 7 HB1 TYR 7 -4.366 -8.171 -8.171 47 HD1 TYR 7 HD2 TYR 7 -3.418 -8.921 -8.921 48 HD2 TYR 7 HD1 TYR 7 -5.470 -10.225 -10.225 49 HE1 TYR 7 HE2 TYR 7 -3.914 -11.095 -11.095 50 HE2 TYR 7 HE1 TYR 7 -5.967 -12.398 -12.398 51 HH TYR 7 HH TYR 7 -4.418 -13.488 -13.488 52 H ALA 8 HN ALA 8 -3.551 -4.861 -4.861 53 HA ALA 8 HA ALA 8 -2.559 -4.975 -4.975 54 1HB ALA 8 HB1 ALA 8 -4.058 -2.947 -2.947 55 2HB ALA 8 HB3 ALA 8 -2.402 -2.369 -2.369 56 3HB ALA 8 HB2 ALA 8 -3.025 -2.777 -2.777 57 H GLU 9 HN GLU 9 -0.370 -5.247 -5.247 58 HA GLU 9 HA GLU 9 1.284 -4.187 -4.187 59 1HB GLU 9 HB2 GLU 9 2.617 -6.469 -6.469 60 2HB GLU 9 HB1 GLU 9 1.266 -6.370 -6.370 61 1HG GLU 9 HG2 GLU 9 -0.040 -7.724 -7.724 62 2HG GLU 9 HG1 GLU 9 0.450 -6.939 -6.939 63 H GLY 10 HN GLY 10 3.290 -3.466 -3.466 64 1HA GLY 10 HA2 GLY 10 4.433 -4.218 -4.218 65 2HA GLY 10 HA1 GLY 10 3.777 -2.586 -2.586 66 HA PRO 11 HA PRO 11 8.063 -2.490 -2.490 67 1HB PRO 11 HB2 PRO 11 9.354 -1.421 -1.421 68 2HB PRO 11 HB1 PRO 11 9.251 -3.164 -3.164 69 1HG PRO 11 HG2 PRO 11 7.773 -1.521 -1.521 70 2HG PRO 11 HG1 PRO 11 8.202 -3.239 -3.239 71 1HD PRO 11 HD2 PRO 11 5.655 -2.196 -2.196 72 2HD PRO 11 HD1 PRO 11 6.196 -3.864 -3.864 73 H GLY 12 HN GLY 12 5.572 -0.649 -0.649 74 1HA GLY 12 HA2 GLY 12 6.910 1.956 1.956 75 2HA GLY 12 HA1 GLY 12 5.469 1.772 1.772 76 H LEU 13 HN LEU 13 5.624 3.434 3.434 77 HA LEU 13 HA LEU 13 3.965 3.942 3.942 78 1HB LEU 13 HB2 LEU 13 2.086 2.734 2.734 79 2HB LEU 13 HB1 LEU 13 2.782 1.871 1.871 80 HG LEU 13 HG LEU 13 3.767 0.624 0.624 81 1HD1 LEU 13 HD12 LEU 13 0.820 1.245 1.245 82 2HD1 LEU 13 HD11 LEU 13 1.528 -0.100 -0.100 83 3HD1 LEU 13 HD13 LEU 13 2.000 1.556 1.556 84 1HD2 LEU 13 HD21 LEU 13 2.374 -0.022 -0.022 85 2HD2 LEU 13 HD23 LEU 13 3.414 -1.050 -1.050 86 3HD2 LEU 13 HD22 LEU 13 1.693 -0.928 -0.928 87 H ASP 14 HN ASP 14 6.472 1.790 1.790 88 HA ASP 14 HA ASP 14 6.320 0.971 0.971 89 1HB ASP 14 HB2 ASP 14 8.856 1.494 1.494 90 2HB ASP 14 HB1 ASP 14 8.589 0.318 0.318 91 H GLY 15 HN GLY 15 7.015 3.861 3.861 92 1HA GLY 15 HA2 GLY 15 7.335 6.032 6.032 93 2HA GLY 15 HA1 GLY 15 7.399 5.324 5.324 94 H GLY 16 HN GLY 16 9.233 5.879 5.879 95 1HA GLY 16 HA2 GLY 16 11.538 6.095 6.095 96 2HA GLY 16 HA1 GLY 16 11.761 4.925 4.925 97 H GLU 17 HN GLU 17 11.226 6.047 6.047 98 HA GLU 17 HA GLU 17 12.589 8.708 8.708 99 1HB GLU 17 HB2 GLU 17 13.107 6.345 6.345 100 2HB GLU 17 HB1 GLU 17 13.620 7.962 7.962 101 1HG GLU 17 HG2 GLU 17 15.506 7.390 7.390 102 2HG GLU 17 HG1 GLU 17 14.526 7.856 7.856 103 H CYS 18 HN CYS 18 11.866 10.222 10.222 104 HA CYS 18 HA CYS 18 9.310 9.738 9.738 105 1HB CYS 18 HB2 CYS 18 10.852 12.180 12.180 106 2HB CYS 18 HB1 CYS 18 9.797 12.292 12.292 107 HG CYS 18 HG CYS 18 7.817 11.415 11.415 108 H PHE 19 HN PHE 19 12.665 9.978 9.978 109 HA PHE 19 HA PHE 19 12.169 10.702 10.702 110 1HB PHE 19 HB2 PHE 19 14.670 10.162 10.162 111 2HB PHE 19 HB1 PHE 19 14.701 10.377 10.377 112 HD1 PHE 19 HD2 PHE 19 13.400 12.418 12.418 113 HD2 PHE 19 HD1 PHE 19 14.677 12.045 12.045 114 HE1 PHE 19 HE2 PHE 19 13.147 14.862 14.862 115 HE2 PHE 19 HE1 PHE 19 14.425 14.490 14.490 116 HZ PHE 19 HZ PHE 19 13.642 15.880 15.880 117 H GLN 20 HN GLN 20 11.577 7.992 7.992 118 HA GLN 20 HA GLN 20 12.794 6.222 6.222 119 1HB GLN 20 HB2 GLN 20 12.153 4.373 4.373 120 2HB GLN 20 HB1 GLN 20 12.863 5.586 5.586 121 1HG GLN 20 HG2 GLN 20 10.624 6.405 6.405 122 2HG GLN 20 HG1 GLN 20 9.894 5.231 5.231 123 1HE2 GLN 20 HE22 GLN 20 11.932 3.223 3.223 124 2HE2 GLN 20 HE21 GLN 20 12.739 4.226 4.226 125 HA PRO 21 HA PRO 21 8.985 6.280 6.280 126 1HB PRO 21 HB2 PRO 21 9.009 3.755 3.755 127 2HB PRO 21 HB1 PRO 21 9.983 5.107 5.107 128 1HG PRO 21 HG2 PRO 21 10.843 2.751 2.751 129 2HG PRO 21 HG1 PRO 21 11.766 3.696 3.696 130 1HD PRO 21 HD2 PRO 21 11.994 3.955 3.955 131 2HD PRO 21 HD1 PRO 21 12.514 5.177 5.177 132 H SER 22 HN SER 22 6.899 5.989 5.989 133 HA SER 22 HA SER 22 6.565 3.808 3.808 134 1HB SER 22 HB2 SER 22 5.951 6.485 6.485 135 2HB SER 22 HB1 SER 22 4.405 5.722 5.722 136 HG SER 22 HG SER 22 5.098 4.225 4.225 137 H LYS 23 HN LYS 23 5.755 1.989 1.989 138 HA LYS 23 HA LYS 23 3.293 2.283 2.283 139 1HB LYS 23 HB2 LYS 23 5.515 0.594 0.594 140 2HB LYS 23 HB1 LYS 23 4.115 1.265 1.265 141 1HG LYS 23 HG2 LYS 23 5.031 3.515 3.515 142 2HG LYS 23 HG1 LYS 23 6.392 2.917 2.917 143 1HD LYS 23 HD2 LYS 23 5.778 1.927 1.927 144 2HD LYS 23 HD1 LYS 23 6.865 3.279 3.279 145 1HE LYS 23 HE2 LYS 23 8.465 1.667 1.667 146 2HE LYS 23 HE1 LYS 23 7.812 1.415 1.415 147 1HZ LYS 23 HZ1 LYS 23 6.318 0.057 0.057 148 2HZ LYS 23 HZ3 LYS 23 7.936 -0.452 -0.452 149 3HZ LYS 23 HZ2 LYS 23 6.962 -0.541 -0.541 150 H PHE 24 HN PHE 24 1.941 0.612 0.612 151 HA PHE 24 HA PHE 24 3.026 -1.961 -1.961 152 1HB PHE 24 HB2 PHE 24 0.642 -1.497 -1.497 153 2HB PHE 24 HB1 PHE 24 2.278 -1.702 -1.702 154 HD1 PHE 24 HD2 PHE 24 3.831 0.399 0.399 155 HD2 PHE 24 HD1 PHE 24 -0.454 0.504 0.504 156 HE1 PHE 24 HE2 PHE 24 3.915 2.795 2.795 157 HE2 PHE 24 HE1 PHE 24 -0.374 2.906 2.906 158 HZ PHE 24 HZ PHE 24 1.826 4.036 4.036 159 H LYS 25 HN LYS 25 1.399 -3.725 -3.725 160 HA LYS 25 HA LYS 25 -0.623 -3.093 -3.093 161 1HB LYS 25 HB2 LYS 25 0.899 -5.660 -5.660 162 2HB LYS 25 HB1 LYS 25 -0.390 -5.510 -5.510 163 1HG LYS 25 HG2 LYS 25 1.093 -4.721 -4.721 164 2HG LYS 25 HG1 LYS 25 1.444 -3.363 -3.363 165 1HD LYS 25 HD2 LYS 25 3.531 -4.244 -4.244 166 2HD LYS 25 HD1 LYS 25 2.809 -5.423 -5.423 167 1HE LYS 25 HE2 LYS 25 2.483 -6.003 -6.003 168 2HE LYS 25 HE1 LYS 25 4.133 -6.107 -6.107 169 1HZ LYS 25 HZ2 LYS 25 3.007 -7.430 -7.430 170 2HZ LYS 25 HZ1 LYS 25 1.761 -7.664 -7.664 171 3HZ LYS 25 HZ3 LYS 25 3.331 -8.201 -8.201 172 H ILE 26 HN ILE 26 -2.748 -3.795 -3.795 173 HA ILE 26 HA ILE 26 -3.236 -4.863 -4.863 174 HB ILE 26 HB ILE 26 -5.214 -3.539 -3.539 175 1HG1 ILE 26 HG12 ILE 26 -4.398 -1.976 -1.976 176 2HG1 ILE 26 HG11 ILE 26 -3.009 -2.362 -2.362 177 1HG2 ILE 26 HG22 ILE 26 -6.009 -5.037 -5.037 178 2HG2 ILE 26 HG21 ILE 26 -5.309 -3.842 -3.842 179 3HG2 ILE 26 HG23 ILE 26 -6.621 -3.383 -3.383 180 1HD1 ILE 26 HD12 ILE 26 -5.568 -1.354 -1.354 181 2HD1 ILE 26 HD11 ILE 26 -4.386 -0.228 -0.228 182 3HD1 ILE 26 HD13 ILE 26 -3.934 -1.301 -1.301 183 H HIS 27 HN HIS 27 -4.280 -6.784 -6.784 184 HA HIS 27 HA HIS 27 -5.194 -8.175 -8.175 185 1HB HIS 27 HB2 HIS 27 -4.364 -9.894 -9.894 186 2HB HIS 27 HB1 HIS 27 -3.985 -10.037 -10.037 187 HD1 HIS 27 HD1 HIS 27 -2.524 -7.448 -7.448 188 HD2 HIS 27 HD2 HIS 27 -1.869 -9.708 -9.708 189 HE1 HIS 27 HE1 HIS 27 -0.266 -6.763 -6.763 190 H ALA 28 HN ALA 28 -7.362 -8.390 -8.390 191 HA ALA 28 HA ALA 28 -8.668 -8.678 -8.678 192 1HB ALA 28 HB2 ALA 28 -9.465 -7.512 -7.512 193 2HB ALA 28 HB1 ALA 28 -10.731 -8.420 -8.420 194 3HB ALA 28 HB3 ALA 28 -9.951 -7.057 -7.057 195 H VAL 29 HN VAL 29 -9.698 -10.611 -10.611 196 HA VAL 29 HA VAL 29 -10.049 -12.619 -12.619 197 HB VAL 29 HB VAL 29 -8.700 -12.912 -12.912 198 1HG1 VAL 29 HG12 VAL 29 -10.667 -14.442 -14.442 199 2HG1 VAL 29 HG11 VAL 29 -10.181 -15.167 -15.167 200 3HG1 VAL 29 HG13 VAL 29 -9.148 -15.332 -15.332 201 1HG2 VAL 29 HG23 VAL 29 -7.639 -12.834 -12.834 202 2HG2 VAL 29 HG22 VAL 29 -7.114 -14.111 -14.111 203 3HG2 VAL 29 HG21 VAL 29 -8.276 -14.468 -14.468 204 H ASP 30 HN ASP 30 -12.057 -13.441 -13.441 205 HA ASP 30 HA ASP 30 -13.927 -12.759 -12.759 206 1HB ASP 30 HB2 ASP 30 -15.575 -12.445 -12.445 207 2HB ASP 30 HB1 ASP 30 -14.165 -11.999 -11.999 208 HA PRO 31 HA PRO 31 -14.815 -17.002 -17.002 209 1HB PRO 31 HB2 PRO 31 -17.526 -17.318 -17.318 210 2HB PRO 31 HB1 PRO 31 -16.784 -16.493 -16.493 211 1HG PRO 31 HG2 PRO 31 -18.240 -15.325 -15.325 212 2HG PRO 31 HG1 PRO 31 -17.992 -14.659 -14.659 213 1HD PRO 31 HD2 PRO 31 -16.581 -13.934 -13.934 214 2HD PRO 31 HD1 PRO 31 -16.176 -13.450 -13.450 215 H ASP 32 HN ASP 32 -14.577 -16.140 -16.140 216 HA ASP 32 HA ASP 32 -15.676 -18.737 -18.737 217 1HB ASP 32 HB2 ASP 32 -15.096 -16.196 -16.196 218 2HB ASP 32 HB1 ASP 32 -15.803 -17.675 -17.675 219 H GLY 33 HN GLY 33 -12.918 -17.559 -17.559 220 1HA GLY 33 HA2 GLY 33 -10.684 -18.269 -18.269 221 2HA GLY 33 HA1 GLY 33 -11.246 -19.336 -19.336 222 H VAL 34 HN VAL 34 -11.989 -15.943 -15.943 223 HA VAL 34 HA VAL 34 -10.057 -15.242 -15.242 224 HB VAL 34 HB VAL 34 -12.904 -14.465 -14.465 225 1HG1 VAL 34 HG11 VAL 34 -10.378 -14.726 -14.726 226 2HG1 VAL 34 HG13 VAL 34 -11.770 -15.352 -15.352 227 3HG1 VAL 34 HG12 VAL 34 -11.763 -13.681 -13.681 228 1HG2 VAL 34 HG23 VAL 34 -11.794 -17.254 -17.254 229 2HG2 VAL 34 HG22 VAL 34 -13.245 -16.800 -16.800 230 3HG2 VAL 34 HG21 VAL 34 -13.206 -16.640 -16.640 231 H HIS 35 HN HIS 35 -10.895 -12.762 -12.762 232 HA HIS 35 HA HIS 35 -10.883 -11.369 -11.369 233 1HB HIS 35 HB2 HIS 35 -10.371 -10.214 -10.214 234 2HB HIS 35 HB1 HIS 35 -10.069 -9.426 -9.426 235 HD1 HIS 35 HD1 HIS 35 -7.567 -9.353 -9.353 236 HD2 HIS 35 HD2 HIS 35 -8.916 -13.077 -13.077 237 HE1 HIS 35 HE1 HIS 35 -5.524 -10.842 -10.842 238 H ARG 36 HN ARG 36 -13.231 -12.240 -12.240 239 HA ARG 36 HA ARG 36 -15.511 -11.875 -11.875 240 1HB ARG 36 HB2 ARG 36 -16.228 -9.532 -9.532 241 2HB ARG 36 HB1 ARG 36 -15.011 -10.055 -10.055 242 1HG ARG 36 HG2 ARG 36 -13.289 -8.825 -8.825 243 2HG ARG 36 HG1 ARG 36 -14.306 -8.538 -8.538 244 1HD ARG 36 HD2 ARG 36 -14.844 -7.467 -7.467 245 2HD ARG 36 HD1 ARG 36 -14.189 -6.531 -6.531 246 HE ARG 36 HE ARG 36 -16.362 -6.852 -6.852 247 1HH1 ARG 36 HH11 ARG 36 -16.242 -6.379 -6.379 248 2HH1 ARG 36 HH12 ARG 36 -17.881 -6.838 -6.838 249 1HH2 ARG 36 HH21 ARG 36 -18.443 -8.013 -8.013 250 2HH2 ARG 36 HH22 ARG 36 -19.127 -7.770 -7.770 251 H THR 37 HN THR 37 -15.082 -12.727 -12.727 252 HA THR 37 HA THR 37 -15.334 -12.522 -12.522 253 HB THR 37 HB THR 37 -17.297 -10.366 -10.366 254 HG1 THR 37 HG1 THR 37 -18.077 -10.887 -10.887 255 1HG2 THR 37 HG23 THR 37 -16.854 -12.693 -12.693 256 2HG2 THR 37 HG22 THR 37 -18.236 -13.104 -13.104 257 3HG2 THR 37 HG21 THR 37 -18.317 -11.710 -11.710 258 H ASP 38 HN ASP 38 -13.227 -11.481 -11.481 259 HA ASP 38 HA ASP 38 -12.559 -8.804 -8.804 260 1HB ASP 38 HB2 ASP 38 -11.540 -11.004 -11.004 261 2HB ASP 38 HB1 ASP 38 -11.692 -9.686 -9.686 262 H GLY 39 HN GLY 39 -12.334 -7.210 -7.210 263 1HA GLY 39 HA2 GLY 39 -13.360 -6.184 -6.184 264 2HA GLY 39 HA1 GLY 39 -14.744 -7.261 -7.261 265 H GLY 40 HN GLY 40 -15.285 -6.823 -6.823 266 1HA GLY 40 HA2 GLY 40 -15.734 -3.886 -3.886 267 2HA GLY 40 HA1 GLY 40 -17.131 -4.959 -4.959 268 H ASP 41 HN ASP 41 -13.891 -4.598 -4.598 269 HA ASP 41 HA ASP 41 -14.968 -5.827 -5.827 270 1HB ASP 41 HB2 ASP 41 -12.187 -4.726 -4.726 271 2HB ASP 41 HB1 ASP 41 -12.685 -5.874 -5.874 272 H GLY 42 HN GLY 42 -15.715 -4.569 -4.569 273 1HA GLY 42 HA2 GLY 42 -15.690 -1.675 -1.675 274 2HA GLY 42 HA1 GLY 42 -16.257 -2.594 -2.594 275 H PHE 43 HN PHE 43 -13.155 -2.078 -2.078 276 HA PHE 43 HA PHE 43 -11.789 -2.052 -2.052 277 1HB PHE 43 HB2 PHE 43 -11.184 -3.131 -3.131 278 2HB PHE 43 HB1 PHE 43 -10.053 -1.800 -1.800 279 HD1 PHE 43 HD1 PHE 43 -10.115 -2.041 -2.041 280 HD2 PHE 43 HD2 PHE 43 -9.497 -4.849 -4.849 281 HE1 PHE 43 HE1 PHE 43 -8.753 -3.469 -3.469 282 HE2 PHE 43 HE2 PHE 43 -8.137 -6.272 -6.272 283 HZ PHE 43 HZ PHE 43 -7.770 -5.583 -5.583 284 H VAL 44 HN VAL 44 -11.657 -0.026 -0.026 285 HA VAL 44 HA VAL 44 -10.899 2.169 2.169 286 HB VAL 44 HB VAL 44 -12.808 3.188 3.188 287 1HG1 VAL 44 HG12 VAL 44 -12.858 0.984 0.984 288 2HG1 VAL 44 HG11 VAL 44 -13.791 2.421 2.421 289 3HG1 VAL 44 HG13 VAL 44 -14.113 1.545 1.545 290 1HG2 VAL 44 HG21 VAL 44 -11.071 4.423 4.423 291 2HG2 VAL 44 HG23 VAL 44 -12.666 4.478 4.478 292 3HG2 VAL 44 HG22 VAL 44 -11.429 3.391 3.391 293 H VAL 45 HN VAL 45 -8.807 2.611 2.611 294 HA VAL 45 HA VAL 45 -7.728 2.481 2.481 295 HB VAL 45 HB VAL 45 -6.039 2.223 2.223 296 1HG1 VAL 45 HG12 VAL 45 -5.754 1.670 1.670 297 2HG1 VAL 45 HG11 VAL 45 -4.763 0.772 0.772 298 3HG1 VAL 45 HG13 VAL 45 -4.656 2.532 2.532 299 1HG2 VAL 45 HG23 VAL 45 -8.012 0.342 0.342 300 2HG2 VAL 45 HG22 VAL 45 -6.951 0.227 0.227 301 3HG2 VAL 45 HG21 VAL 45 -6.394 -0.340 -0.340 302 H THR 46 HN THR 46 -6.293 4.172 4.172 303 HA THR 46 HA THR 46 -5.725 6.297 6.297 304 HB THR 46 HB THR 46 -6.981 7.799 7.799 305 HG1 THR 46 HG1 THR 46 -8.914 6.851 6.851 306 1HG2 THR 46 HG21 THR 46 -7.721 6.923 6.923 307 2HG2 THR 46 HG23 THR 46 -8.774 8.000 8.000 308 3HG2 THR 46 HG22 THR 46 -7.123 8.490 8.490 309 H ILE 47 HN ILE 47 -3.878 7.231 7.231 310 HA ILE 47 HA ILE 47 -2.997 7.109 7.109 311 HB ILE 47 HB ILE 47 -1.480 6.645 6.645 312 1HG1 ILE 47 HG12 ILE 47 -2.023 5.234 5.234 313 2HG1 ILE 47 HG11 ILE 47 -1.646 4.575 4.575 314 1HG2 ILE 47 HG23 ILE 47 -0.302 7.726 7.726 315 2HG2 ILE 47 HG22 ILE 47 0.642 7.094 7.094 316 3HG2 ILE 47 HG21 ILE 47 -0.321 8.545 8.545 317 1HD1 ILE 47 HD11 ILE 47 0.744 5.435 5.435 318 2HD1 ILE 47 HD13 ILE 47 0.276 5.623 5.623 319 3HD1 ILE 47 HD12 ILE 47 0.250 4.028 4.028 320 H GLU 48 HN GLU 48 -1.685 8.944 8.944 321 HA GLU 48 HA GLU 48 -1.213 11.097 11.097 322 1HB GLU 48 HB2 GLU 48 -2.842 12.706 12.706 323 2HB GLU 48 HB1 GLU 48 -3.466 11.714 11.714 324 1HG GLU 48 HG2 GLU 48 -4.852 10.632 10.632 325 2HG GLU 48 HG1 GLU 48 -3.507 10.206 10.206 326 H GLY 49 HN GLY 49 -0.210 12.903 12.903 327 1HA GLY 49 HA2 GLY 49 0.343 13.004 13.004 328 2HA GLY 49 HA1 GLY 49 1.724 12.441 12.441 329 HA PRO 50 HA PRO 50 1.686 17.073 17.073 330 1HB PRO 50 HB2 PRO 50 4.260 17.366 17.366 331 2HB PRO 50 HB1 PRO 50 2.836 17.320 17.320 332 1HG PRO 50 HG2 PRO 50 4.889 15.205 15.205 333 2HG PRO 50 HG1 PRO 50 3.887 15.493 15.493 334 1HD PRO 50 HD2 PRO 50 3.424 13.506 13.506 335 2HD PRO 50 HD1 PRO 50 2.248 14.062 14.062 336 H ALA 51 HN ALA 51 1.710 16.192 16.192 337 HA ALA 51 HA ALA 51 4.226 17.059 17.059 338 1HB ALA 51 HB2 ALA 51 3.898 14.355 14.355 339 2HB ALA 51 HB1 ALA 51 3.329 14.517 14.517 340 3HB ALA 51 HB3 ALA 51 4.957 15.040 15.040 341 HA PRO 52 HA PRO 52 1.554 18.196 18.196 342 1HB PRO 52 HB2 PRO 52 2.970 17.476 17.476 343 2HB PRO 52 HB1 PRO 52 3.403 18.849 18.849 344 1HG PRO 52 HG2 PRO 52 4.709 16.176 16.176 345 2HG PRO 52 HG1 PRO 52 5.406 17.731 17.731 346 1HD PRO 52 HD2 PRO 52 4.638 15.642 15.642 347 2HD PRO 52 HD1 PRO 52 5.018 17.312 17.312 348 H VAL 53 HN VAL 53 2.935 14.974 14.974 349 HA VAL 53 HA VAL 53 0.346 14.168 14.168 350 HB VAL 53 HB VAL 53 3.061 12.810 12.810 351 1HG1 VAL 53 HG12 VAL 53 0.377 11.967 11.967 352 2HG1 VAL 53 HG11 VAL 53 1.837 11.454 11.454 353 3HG1 VAL 53 HG13 VAL 53 1.596 11.013 11.013 354 1HG2 VAL 53 HG22 VAL 53 1.822 14.794 14.794 355 2HG2 VAL 53 HG21 VAL 53 3.491 14.223 14.223 356 3HG2 VAL 53 HG23 VAL 53 2.274 13.342 13.342 357 H ASP 54 HN ASP 54 -0.649 14.143 14.143 358 HA ASP 54 HA ASP 54 0.388 12.021 12.021 359 1HB ASP 54 HB2 ASP 54 -1.827 14.051 14.051 360 2HB ASP 54 HB1 ASP 54 -1.439 12.828 12.828 361 HA PRO 55 HA PRO 55 -3.884 10.139 10.139 362 1HB PRO 55 HB2 PRO 55 -5.435 11.317 11.317 363 2HB PRO 55 HB1 PRO 55 -5.507 11.766 11.766 364 1HG PRO 55 HG2 PRO 55 -4.292 13.253 13.253 365 2HG PRO 55 HG1 PRO 55 -4.925 13.872 13.872 366 1HD PRO 55 HD2 PRO 55 -2.187 13.482 13.482 367 2HD PRO 55 HD1 PRO 55 -2.855 13.834 13.834 368 H VAL 56 HN VAL 56 -2.575 8.484 8.484 369 HA VAL 56 HA VAL 56 -2.703 8.575 8.575 370 HB VAL 56 HB VAL 56 -0.431 7.402 7.402 371 1HG1 VAL 56 HG12 VAL 56 -1.208 7.594 7.594 372 2HG1 VAL 56 HG11 VAL 56 0.321 8.439 8.439 373 3HG1 VAL 56 HG13 VAL 56 0.169 6.744 6.744 374 1HG2 VAL 56 HG23 VAL 56 -0.805 9.921 9.921 375 2HG2 VAL 56 HG22 VAL 56 0.784 9.442 9.442 376 3HG2 VAL 56 HG21 VAL 56 -0.390 10.148 10.148 377 H MET 57 HN MET 57 -4.449 7.019 7.019 378 HA MET 57 HA MET 57 -3.476 4.310 4.310 379 1HB MET 57 HB2 MET 57 -5.496 3.689 3.689 380 2HB MET 57 HB1 MET 57 -4.930 5.186 5.186 381 1HG MET 57 HG2 MET 57 -6.918 6.120 6.120 382 2HG MET 57 HG1 MET 57 -6.560 5.940 5.940 383 1HE MET 57 HE3 MET 57 -8.749 6.184 6.184 384 2HE MET 57 HE2 MET 57 -9.362 4.757 4.757 385 3HE MET 57 HE1 MET 57 -10.073 5.246 5.246 386 H VAL 58 HN VAL 58 -3.975 2.775 2.775 387 HA VAL 58 HA VAL 58 -6.009 3.452 3.452 388 HB VAL 58 HB VAL 58 -3.713 1.951 1.951 389 1HG1 VAL 58 HG11 VAL 58 -5.799 3.412 3.412 390 2HG1 VAL 58 HG13 VAL 58 -4.471 4.565 4.565 391 3HG1 VAL 58 HG12 VAL 58 -4.352 2.987 2.987 392 1HG2 VAL 58 HG21 VAL 58 -3.332 4.823 4.823 393 2HG2 VAL 58 HG23 VAL 58 -2.451 3.416 3.416 394 3HG2 VAL 58 HG22 VAL 58 -2.231 3.957 3.957 395 H ASP 59 HN ASP 59 -6.869 1.561 1.561 396 HA ASP 59 HA ASP 59 -6.479 -0.988 -0.988 397 1HB ASP 59 HB2 ASP 59 -8.685 0.024 0.024 398 2HB ASP 59 HB1 ASP 59 -8.985 0.108 0.108 399 H ASN 60 HN ASN 60 -5.939 -2.750 -2.750 400 HA ASN 60 HA ASN 60 -5.596 -2.306 -2.306 401 1HB ASN 60 HB2 ASN 60 -4.007 -3.557 -3.557 402 2HB ASN 60 HB1 ASN 60 -4.970 -4.941 -4.941 403 1HD2 ASN 60 HD22 ASN 60 -3.884 -3.836 -3.836 404 2HD2 ASN 60 HD21 ASN 60 -5.346 -3.542 -3.542 405 H GLY 61 HN GLY 61 -7.819 -4.015 -4.015 406 1HA GLY 61 HA2 GLY 61 -9.927 -4.836 -4.836 407 2HA GLY 61 HA1 GLY 61 -9.338 -4.764 -4.764 408 H ASP 62 HN ASP 62 -7.172 -6.275 -6.275 409 HA ASP 62 HA ASP 62 -8.109 -8.955 -8.955 410 1HB ASP 62 HB2 ASP 62 -5.710 -9.636 -9.636 411 2HB ASP 62 HB1 ASP 62 -6.015 -8.339 -8.339 412 H GLY 63 HN GLY 63 -8.599 -7.354 -7.354 413 1HA GLY 63 HA2 GLY 63 -9.012 -8.097 -8.097 414 2HA GLY 63 HA1 GLY 63 -8.132 -9.579 -9.579 415 H THR 64 HN THR 64 -6.062 -7.389 -7.389 416 HA THR 64 HA THR 64 -4.763 -6.971 -6.971 417 HB THR 64 HB THR 64 -2.594 -7.090 -7.090 418 HG1 THR 64 HG1 THR 64 -3.786 -6.905 -6.905 419 1HG2 THR 64 HG23 THR 64 -4.412 -9.479 -9.479 420 2HG2 THR 64 HG22 THR 64 -2.722 -9.634 -9.634 421 3HG2 THR 64 HG21 THR 64 -3.136 -8.924 -8.924 422 H TYR 65 HN TYR 65 -5.018 -4.751 -4.751 423 HA TYR 65 HA TYR 65 -4.646 -2.946 -2.946 424 1HB TYR 65 HB2 TYR 65 -5.990 -2.305 -2.305 425 2HB TYR 65 HB1 TYR 65 -6.034 -1.347 -1.347 426 HD1 TYR 65 HD2 TYR 65 -6.088 -3.943 -3.943 427 HD2 TYR 65 HD1 TYR 65 -8.492 -2.552 -2.552 428 HE1 TYR 65 HE2 TYR 65 -7.972 -5.290 -5.290 429 HE2 TYR 65 HE1 TYR 65 -10.384 -3.911 -3.911 430 HH TYR 65 HH TYR 65 -10.164 -5.719 -5.719 431 H ASP 66 HN ASP 66 -3.423 -0.920 -0.920 432 HA ASP 66 HA ASP 66 -1.436 -1.281 -1.281 433 1HB ASP 66 HB2 ASP 66 -0.701 -0.057 -0.057 434 2HB ASP 66 HB1 ASP 66 0.346 -0.810 -0.810 435 H VAL 67 HN VAL 67 -0.446 0.638 0.638 436 HA VAL 67 HA VAL 67 -1.732 3.196 3.196 437 HB VAL 67 HB VAL 67 -2.314 3.721 3.721 438 1HG1 VAL 67 HG11 VAL 67 -2.849 0.794 0.794 439 2HG1 VAL 67 HG13 VAL 67 -3.604 1.647 1.647 440 3HG1 VAL 67 HG12 VAL 67 -3.925 2.156 2.156 441 1HG2 VAL 67 HG22 VAL 67 -0.325 1.634 1.634 442 2HG2 VAL 67 HG21 VAL 67 -0.657 3.160 3.160 443 3HG2 VAL 67 HG23 VAL 67 -1.695 1.763 1.763 444 H GLU 68 HN GLU 68 -0.219 5.019 5.019 445 HA GLU 68 HA GLU 68 2.369 4.402 4.402 446 1HB GLU 68 HB2 GLU 68 2.399 5.356 5.356 447 2HB GLU 68 HB1 GLU 68 3.738 4.726 4.726 448 1HG GLU 68 HG2 GLU 68 3.144 2.935 2.935 449 2HG GLU 68 HG1 GLU 68 2.382 2.521 2.521 450 H PHE 69 HN PHE 69 3.196 6.175 6.175 451 HA PHE 69 HA PHE 69 2.639 8.830 8.830 452 1HB PHE 69 HB2 PHE 69 2.180 9.900 9.900 453 2HB PHE 69 HB1 PHE 69 1.068 8.545 8.545 454 HD1 PHE 69 HD1 PHE 69 2.181 6.222 6.222 455 HD2 PHE 69 HD2 PHE 69 3.206 10.181 10.181 456 HE1 PHE 69 HE1 PHE 69 3.038 5.311 5.311 457 HE2 PHE 69 HE2 PHE 69 4.063 9.262 9.262 458 HZ PHE 69 HZ PHE 69 3.957 6.807 6.807 459 H GLU 70 HN GLU 70 4.413 10.413 10.413 460 HA GLU 70 HA GLU 70 6.771 9.198 9.198 461 1HB GLU 70 HB2 GLU 70 8.215 9.407 9.407 462 2HB GLU 70 HB1 GLU 70 6.783 8.527 8.527 463 1HG GLU 70 HG2 GLU 70 5.894 10.925 10.925 464 2HG GLU 70 HG1 GLU 70 7.606 11.348 11.348 465 HA PRO 71 HA PRO 71 6.669 13.650 13.650 466 1HB PRO 71 HB2 PRO 71 7.564 13.305 13.305 467 2HB PRO 71 HB1 PRO 71 5.865 13.140 13.140 468 1HG PRO 71 HG2 PRO 71 7.823 11.014 11.014 469 2HG PRO 71 HG1 PRO 71 6.055 10.984 10.984 470 1HD PRO 71 HD2 PRO 71 7.675 9.801 9.801 471 2HD PRO 71 HD1 PRO 71 5.907 9.969 9.969 472 H LYS 72 HN LYS 72 8.484 15.004 15.004 473 HA LYS 72 HA LYS 72 11.237 13.955 13.955 474 1HB LYS 72 HB2 LYS 72 10.117 16.562 16.562 475 2HB LYS 72 HB1 LYS 72 11.821 16.114 16.114 476 1HG LYS 72 HG2 LYS 72 11.201 14.071 14.071 477 2HG LYS 72 HG1 LYS 72 9.545 14.674 14.674 478 1HD LYS 72 HD2 LYS 72 11.955 16.220 16.220 479 2HD LYS 72 HD1 LYS 72 10.906 15.251 15.251 480 1HE LYS 72 HE2 LYS 72 9.406 16.922 16.922 481 2HE LYS 72 HE1 LYS 72 9.290 16.975 16.975 482 1HZ LYS 72 HZ3 LYS 72 11.534 18.222 18.222 483 2HZ LYS 72 HZ2 LYS 72 10.091 19.058 19.058 484 3HZ LYS 72 HZ1 LYS 72 11.053 18.490 18.490 485 H GLU 73 HN GLU 73 9.690 14.588 14.588 486 HA GLU 73 HA GLU 73 11.757 16.298 16.298 487 1HB GLU 73 HB2 GLU 73 10.201 17.909 17.909 488 2HB GLU 73 HB1 GLU 73 9.919 17.837 17.837 489 1HG GLU 73 HG2 GLU 73 7.788 17.211 17.211 490 2HG GLU 73 HG1 GLU 73 8.325 15.818 15.818 491 H ALA 74 HN ALA 74 10.327 16.666 16.666 492 HA ALA 74 HA ALA 74 10.329 13.885 13.885 493 1HB ALA 74 HB3 ALA 74 11.400 16.157 16.157 494 2HB ALA 74 HB2 ALA 74 9.826 16.146 16.146 495 3HB ALA 74 HB1 ALA 74 10.913 14.768 14.768 496 H GLY 75 HN GLY 75 8.363 12.877 12.877 497 1HA GLY 75 HA2 GLY 75 5.989 14.355 14.355 498 2HA GLY 75 HA1 GLY 75 5.950 13.863 13.863 499 H ASP 76 HN ASP 76 4.096 12.934 12.934 500 HA ASP 76 HA ASP 76 4.892 10.069 10.069 501 1HB ASP 76 HB2 ASP 76 3.022 9.992 9.992 502 2HB ASP 76 HB1 ASP 76 4.276 11.142 11.142 503 H TYR 77 HN TYR 77 3.203 8.520 8.520 504 HA TYR 77 HA TYR 77 1.482 9.573 9.573 505 1HB TYR 77 HB2 TYR 77 2.231 6.688 6.688 506 2HB TYR 77 HB1 TYR 77 1.684 7.510 7.510 507 HD1 TYR 77 HD1 TYR 77 3.412 9.987 9.987 508 HD2 TYR 77 HD2 TYR 77 4.263 5.798 5.798 509 HE1 TYR 77 HE1 TYR 77 5.743 10.410 10.410 510 HE2 TYR 77 HE2 TYR 77 6.593 6.208 6.208 511 HH TYR 77 HH TYR 77 7.604 9.046 9.046 512 H VAL 78 HN VAL 78 -0.619 9.155 9.155 513 HA VAL 78 HA VAL 78 -1.692 7.442 7.442 514 HB VAL 78 HB VAL 78 -2.538 9.603 9.603 515 1HG1 VAL 78 HG11 VAL 78 -2.586 9.779 9.779 516 2HG1 VAL 78 HG13 VAL 78 -3.738 10.761 10.761 517 3HG1 VAL 78 HG12 VAL 78 -2.006 10.953 10.953 518 1HG2 VAL 78 HG23 VAL 78 -4.236 7.547 7.547 519 2HG2 VAL 78 HG22 VAL 78 -4.661 8.887 8.887 520 3HG2 VAL 78 HG21 VAL 78 -4.885 9.040 9.040 521 H ILE 79 HN ILE 79 -2.728 5.683 5.683 522 HA ILE 79 HA ILE 79 -3.155 5.488 5.488 523 HB ILE 79 HB ILE 79 -3.379 2.935 2.935 524 1HG1 ILE 79 HG12 ILE 79 -0.943 4.563 4.563 525 2HG1 ILE 79 HG11 ILE 79 -2.094 3.784 3.784 526 1HG2 ILE 79 HG23 ILE 79 -2.686 3.414 3.414 527 2HG2 ILE 79 HG22 ILE 79 -1.205 4.157 4.157 528 3HG2 ILE 79 HG21 ILE 79 -1.488 2.433 2.433 529 1HD1 ILE 79 HD13 ILE 79 -1.126 1.813 1.813 530 2HD1 ILE 79 HD12 ILE 79 0.262 2.663 2.663 531 3HD1 ILE 79 HD11 ILE 79 -0.903 1.881 1.881 532 H ASN 80 HN ASN 80 -4.848 4.295 4.295 533 HA ASN 80 HA ASN 80 -7.202 3.804 3.804 534 1HB ASN 80 HB2 ASN 80 -7.522 5.521 5.521 535 2HB ASN 80 HB1 ASN 80 -8.632 5.293 5.293 536 1HD2 ASN 80 HD22 ASN 80 -6.088 8.353 8.353 537 2HD2 ASN 80 HD21 ASN 80 -6.444 7.503 7.503 538 H LEU 81 HN LEU 81 -7.664 1.779 1.779 539 HA LEU 81 HA LEU 81 -7.718 1.104 1.104 540 1HB LEU 81 HB2 LEU 81 -5.611 0.193 0.193 541 2HB LEU 81 HB1 LEU 81 -6.405 -0.485 -0.485 542 HG LEU 81 HG LEU 81 -5.832 -1.968 -1.968 543 1HD1 LEU 81 HD11 LEU 81 -7.307 -2.257 -2.257 544 2HD1 LEU 81 HD13 LEU 81 -8.518 -2.583 -2.583 545 3HD1 LEU 81 HD12 LEU 81 -7.036 -3.538 -3.538 546 1HD2 LEU 81 HD21 LEU 81 -7.575 -0.285 -0.285 547 2HD2 LEU 81 HD23 LEU 81 -7.353 -1.958 -1.958 548 3HD2 LEU 81 HD22 LEU 81 -8.693 -1.523 -1.523 549 H THR 82 HN THR 82 -9.799 0.532 0.532 550 HA THR 82 HA THR 82 -11.199 -0.942 -0.942 551 HB THR 82 HB THR 82 -13.258 0.378 0.378 552 HG1 THR 82 HG1 THR 82 -11.432 1.261 1.261 553 1HG2 THR 82 HG21 THR 82 -11.132 1.061 1.061 554 2HG2 THR 82 HG23 THR 82 -11.998 2.480 2.480 555 3HG2 THR 82 HG22 THR 82 -12.881 1.171 1.171 556 H LEU 83 HN LEU 83 -12.384 -2.684 -2.684 557 HA LEU 83 HA LEU 83 -13.131 -3.044 -3.044 558 1HB LEU 83 HB2 LEU 83 -10.955 -4.274 -4.274 559 2HB LEU 83 HB1 LEU 83 -11.882 -5.307 -5.307 560 HG LEU 83 HG LEU 83 -11.538 -6.136 -6.136 561 1HD1 LEU 83 HD11 LEU 83 -13.261 -6.951 -6.951 562 2HD1 LEU 83 HD13 LEU 83 -14.425 -5.924 -5.924 563 3HD1 LEU 83 HD12 LEU 83 -13.645 -7.251 -7.251 564 1HD2 LEU 83 HD23 LEU 83 -12.148 -3.887 -3.887 565 2HD2 LEU 83 HD22 LEU 83 -13.064 -5.238 -5.238 566 3HD2 LEU 83 HD21 LEU 83 -13.808 -4.171 -4.171 567 H ASP 84 HN ASP 84 -15.211 -2.446 -2.446 568 HA ASP 84 HA ASP 84 -17.232 -4.090 -4.090 569 1HB ASP 84 HB2 ASP 84 -15.618 -4.833 -4.833 570 2HB ASP 84 HB1 ASP 84 -17.377 -4.949 -4.949 571 H GLY 85 HN GLY 85 -15.543 -1.700 -1.700 572 1HA GLY 85 HA2 GLY 85 -17.048 0.399 0.399 573 2HA GLY 85 HA1 GLY 85 -18.102 -0.661 -0.661 574 H ASP 86 HN ASP 86 -14.972 -1.669 -1.669 575 HA ASP 86 HA ASP 86 -14.679 0.275 0.275 576 1HB ASP 86 HB2 ASP 86 -15.482 -2.365 -2.365 577 2HB ASP 86 HB1 ASP 86 -13.741 -2.442 -2.442 578 H ASN 87 HN ASN 87 -12.291 -0.108 -0.108 579 HA ASN 87 HA ASN 87 -10.549 -0.311 -0.311 580 1HB ASN 87 HB2 ASN 87 -9.738 0.975 0.975 581 2HB ASN 87 HB1 ASN 87 -9.093 1.261 1.261 582 1HD2 ASN 87 HD22 ASN 87 -11.242 4.007 4.007 583 2HD2 ASN 87 HD21 ASN 87 -9.694 3.341 3.341 584 H VAL 88 HN VAL 88 -8.435 -1.349 -1.349 585 HA VAL 88 HA VAL 88 -8.653 -3.794 -3.794 586 HB VAL 88 HB VAL 88 -6.440 -2.463 -2.463 587 1HG1 VAL 88 HG11 VAL 88 -5.355 -3.486 -3.486 588 2HG1 VAL 88 HG13 VAL 88 -6.142 -5.017 -5.017 589 3HG1 VAL 88 HG12 VAL 88 -4.943 -4.343 -4.343 590 1HG2 VAL 88 HG21 VAL 88 -8.294 -3.811 -3.811 591 2HG2 VAL 88 HG23 VAL 88 -6.679 -4.438 -4.438 592 3HG2 VAL 88 HG22 VAL 88 -7.699 -5.212 -5.212 593 H ASN 89 HN ASN 89 -6.883 -4.451 -4.451 594 HA ASN 89 HA ASN 89 -7.031 -2.483 -2.483 595 1HB ASN 89 HB2 ASN 89 -5.571 -5.122 -5.122 596 2HB ASN 89 HB1 ASN 89 -6.298 -4.228 -4.228 597 1HD2 ASN 89 HD22 ASN 89 -8.589 -7.013 -7.013 598 2HD2 ASN 89 HD21 ASN 89 -6.927 -7.025 -7.025 599 H GLY 90 HN GLY 90 -5.195 -2.007 -2.007 600 1HA GLY 90 HA2 GLY 90 -2.882 -1.157 -1.157 601 2HA GLY 90 HA1 GLY 90 -2.526 -2.224 -2.224 602 H PHE 91 HN PHE 91 -5.199 -0.180 -0.180 603 HA PHE 91 HA PHE 91 -3.502 1.498 1.498 604 1HB PHE 91 HB2 PHE 91 -6.118 0.231 0.231 605 2HB PHE 91 HB1 PHE 91 -6.050 1.899 1.899 606 HD1 PHE 91 HD2 PHE 91 -4.622 -1.469 -1.469 607 HD2 PHE 91 HD1 PHE 91 -4.591 2.532 2.532 608 HE1 PHE 91 HE2 PHE 91 -3.287 -2.202 -2.202 609 HE2 PHE 91 HE1 PHE 91 -3.252 1.828 1.828 610 HZ PHE 91 HZ PHE 91 -2.602 -0.560 -0.560 611 HA PRO 92 HA PRO 92 -6.330 4.703 4.703 612 1HB PRO 92 HB2 PRO 92 -7.594 4.006 4.006 613 2HB PRO 92 HB1 PRO 92 -8.358 3.916 3.916 614 1HG PRO 92 HG2 PRO 92 -7.314 1.709 1.709 615 2HG PRO 92 HG1 PRO 92 -8.591 1.671 1.671 616 1HD PRO 92 HD2 PRO 92 -5.957 0.750 0.750 617 2HD PRO 92 HD1 PRO 92 -7.114 1.056 1.056 618 H LYS 93 HN LYS 93 -3.853 2.925 2.925 619 HA LYS 93 HA LYS 93 -3.228 4.339 4.339 620 1HB LYS 93 HB2 LYS 93 -2.811 1.790 1.790 621 2HB LYS 93 HB1 LYS 93 -1.433 2.375 2.375 622 1HG LYS 93 HG2 LYS 93 -0.792 1.827 1.827 623 2HG LYS 93 HG1 LYS 93 -0.566 3.541 3.541 624 1HD LYS 93 HD2 LYS 93 -2.042 4.126 4.126 625 2HD LYS 93 HD1 LYS 93 -3.262 3.037 3.037 626 1HE LYS 93 HE2 LYS 93 -0.951 2.027 2.027 627 2HE LYS 93 HE1 LYS 93 -2.467 2.553 2.553 628 1HZ LYS 93 HZ1 LYS 93 -3.322 0.943 0.943 629 2HZ LYS 93 HZ3 LYS 93 -1.880 0.171 0.171 630 3HZ LYS 93 HZ2 LYS 93 -3.087 0.449 0.449 631 H THR 94 HN THR 94 -0.960 5.268 5.268 632 HA THR 94 HA THR 94 -0.420 6.559 6.559 633 HB THR 94 HB THR 94 0.086 7.749 7.749 634 HG1 THR 94 HG1 THR 94 -2.186 7.307 7.307 635 1HG2 THR 94 HG22 THR 94 1.043 8.410 8.410 636 2HG2 THR 94 HG21 THR 94 -0.331 9.496 9.496 637 3HG2 THR 94 HG23 THR 94 0.979 9.488 9.488 638 H VAL 95 HN VAL 95 1.550 6.319 6.319 639 HA VAL 95 HA VAL 95 3.577 5.087 5.087 640 HB VAL 95 HB VAL 95 3.261 5.164 5.164 641 1HG1 VAL 95 HG12 VAL 95 5.812 4.489 4.489 642 2HG1 VAL 95 HG11 VAL 95 5.529 4.250 4.250 643 3HG1 VAL 95 HG13 VAL 95 5.587 5.882 5.882 644 1HG2 VAL 95 HG22 VAL 95 2.838 3.291 3.291 645 2HG2 VAL 95 HG21 VAL 95 2.824 2.980 2.980 646 3HG2 VAL 95 HG23 VAL 95 4.312 2.767 2.767 647 H THR 96 HN THR 96 5.776 6.095 6.095 648 HA THR 96 HA THR 96 5.534 9.007 9.007 649 HB THR 96 HB THR 96 6.994 7.729 7.729 650 HG1 THR 96 HG1 THR 96 5.192 7.963 7.963 651 1HG2 THR 96 HG22 THR 96 6.641 10.556 10.556 652 2HG2 THR 96 HG21 THR 96 6.883 10.223 10.223 653 3HG2 THR 96 HG23 THR 96 8.112 9.747 9.747 654 H VAL 97 HN VAL 97 7.158 10.074 10.074 655 HA VAL 97 HA VAL 97 9.775 8.728 8.728 656 HB VAL 97 HB VAL 97 7.959 10.068 10.068 657 1HG1 VAL 97 HG11 VAL 97 10.975 10.019 10.019 658 2HG1 VAL 97 HG13 VAL 97 9.997 10.246 10.246 659 3HG1 VAL 97 HG12 VAL 97 9.924 11.429 11.429 660 1HG2 VAL 97 HG21 VAL 97 9.658 7.610 7.610 661 2HG2 VAL 97 HG23 VAL 97 7.976 7.749 7.749 662 3HG2 VAL 97 HG22 VAL 97 9.261 8.266 8.266 663 H LYS 98 HN LYS 98 11.467 10.078 10.078 664 HA LYS 98 HA LYS 98 10.746 12.937 12.937 665 1HB LYS 98 HB2 LYS 98 11.864 10.930 10.930 666 2HB LYS 98 HB1 LYS 98 12.723 12.470 12.470 667 1HG LYS 98 HG2 LYS 98 10.975 13.588 13.588 668 2HG LYS 98 HG1 LYS 98 9.778 12.699 12.699 669 1HD LYS 98 HD2 LYS 98 9.302 11.621 11.621 670 2HD LYS 98 HD1 LYS 98 10.809 10.746 10.746 671 1HE LYS 98 HE2 LYS 98 10.567 11.868 11.868 672 2HE LYS 98 HE1 LYS 98 12.042 12.240 12.240 673 1HZ LYS 98 HZ2 LYS 98 9.835 13.990 13.990 674 2HZ LYS 98 HZ1 LYS 98 10.347 14.072 14.072 675 3HZ LYS 98 HZ3 LYS 98 11.452 14.366 14.366 676 HA PRO 99 HA PRO 99 15.361 13.189 13.189 677 1HB PRO 99 HB2 PRO 99 16.828 10.880 10.880 678 2HB PRO 99 HB1 PRO 99 16.611 11.737 11.737 679 1HG PRO 99 HG2 PRO 99 15.327 9.212 9.212 680 2HG PRO 99 HG1 PRO 99 15.690 9.740 9.740 681 1HD PRO 99 HD2 PRO 99 13.162 9.827 9.827 682 2HD PRO 99 HD1 PRO 99 13.636 10.712 10.712 683 H ALA 100 HN ALA 100 13.901 13.541 13.541 684 HA ALA 100 HA ALA 100 14.235 11.581 11.581 685 1HB ALA 100 HB1 ALA 100 12.338 13.441 13.441 686 2HB ALA 100 HB3 ALA 100 13.412 14.378 14.378 687 3HB ALA 100 HB2 ALA 100 12.748 12.855 12.855 Start of MODEL 8 1 1H ALA 1 HT2 ALA 1 -18.030 -11.864 -11.864 2 2H ALA 1 HT1 ALA 1 -19.317 -10.911 -10.911 3 3H ALA 1 HT3 ALA 1 -18.858 -12.305 -12.305 4 HA ALA 1 HA ALA 1 -17.604 -11.002 -11.002 5 1HB ALA 1 HB3 ALA 1 -18.952 -9.075 -9.075 6 2HB ALA 1 HB2 ALA 1 -17.812 -8.877 -8.877 7 3HB ALA 1 HB1 ALA 1 -17.281 -8.631 -8.631 8 H ASP 2 HN ASP 2 -15.583 -9.116 -9.116 9 HA ASP 2 HA ASP 2 -13.716 -11.105 -11.105 10 1HB ASP 2 HB2 ASP 2 -13.101 -10.624 -10.624 11 2HB ASP 2 HB1 ASP 2 -13.210 -8.892 -8.892 12 HA PRO 3 HA PRO 3 -13.749 -7.135 -7.135 13 1HB PRO 3 HB2 PRO 3 -15.480 -7.853 -7.853 14 2HB PRO 3 HB1 PRO 3 -15.994 -6.951 -6.951 15 1HG PRO 3 HG2 PRO 3 -16.422 -9.834 -9.834 16 2HG PRO 3 HG1 PRO 3 -17.421 -8.747 -8.747 17 1HD PRO 3 HD2 PRO 3 -15.656 -10.682 -10.682 18 2HD PRO 3 HD1 PRO 3 -16.337 -9.308 -9.308 19 H GLU 4 HN GLU 4 -13.228 -10.430 -10.430 20 HA GLU 4 HA GLU 4 -11.695 -10.223 -10.223 21 1HB GLU 4 HB2 GLU 4 -13.943 -11.681 -11.681 22 2HB GLU 4 HB1 GLU 4 -12.739 -12.852 -12.852 23 1HG GLU 4 HG2 GLU 4 -11.609 -11.720 -11.720 24 2HG GLU 4 HG1 GLU 4 -13.313 -11.915 -11.915 25 H LYS 5 HN LYS 5 -11.265 -10.460 -10.460 26 HA LYS 5 HA LYS 5 -8.778 -12.035 -12.035 27 1HB LYS 5 HB2 LYS 5 -11.112 -12.859 -12.859 28 2HB LYS 5 HB1 LYS 5 -9.632 -12.796 -12.796 29 1HG LYS 5 HG2 LYS 5 -8.747 -14.596 -14.596 30 2HG LYS 5 HG1 LYS 5 -9.225 -13.998 -13.998 31 1HD LYS 5 HD2 LYS 5 -11.246 -15.097 -15.097 32 2HD LYS 5 HD1 LYS 5 -11.399 -14.978 -14.978 33 1HE LYS 5 HE2 LYS 5 -10.738 -17.135 -17.135 34 2HE LYS 5 HE1 LYS 5 -9.135 -16.565 -16.565 35 1HZ LYS 5 HZ1 LYS 5 -10.334 -16.630 -16.630 36 2HZ LYS 5 HZ3 LYS 5 -11.165 -17.893 -17.893 37 3HZ LYS 5 HZ2 LYS 5 -9.471 -17.945 -17.945 38 H SER 6 HN SER 6 -9.313 -9.250 -9.250 39 HA SER 6 HA SER 6 -8.208 -8.630 -8.630 40 1HB SER 6 HB2 SER 6 -9.717 -6.859 -6.859 41 2HB SER 6 HB1 SER 6 -9.041 -6.327 -6.327 42 HG SER 6 HG SER 6 -10.536 -7.415 -7.415 43 H TYR 7 HN TYR 7 -6.052 -8.302 -8.302 44 HA TYR 7 HA TYR 7 -5.025 -6.770 -6.770 45 1HB TYR 7 HB2 TYR 7 -2.916 -8.430 -8.430 46 2HB TYR 7 HB1 TYR 7 -3.998 -8.666 -8.666 47 HD1 TYR 7 HD1 TYR 7 -3.829 -9.330 -9.330 48 HD2 TYR 7 HD2 TYR 7 -5.198 -10.668 -10.668 49 HE1 TYR 7 HE1 TYR 7 -4.677 -11.421 -11.421 50 HE2 TYR 7 HE2 TYR 7 -6.045 -12.759 -12.759 51 HH TYR 7 HH TYR 7 -6.802 -13.244 -13.244 52 H ALA 8 HN ALA 8 -3.466 -5.251 -5.251 53 HA ALA 8 HA ALA 8 -2.556 -5.028 -5.028 54 1HB ALA 8 HB3 ALA 8 -3.770 -3.061 -3.061 55 2HB ALA 8 HB2 ALA 8 -2.267 -2.502 -2.502 56 3HB ALA 8 HB1 ALA 8 -3.608 -3.015 -3.015 57 H GLU 9 HN GLU 9 -0.335 -5.210 -5.210 58 HA GLU 9 HA GLU 9 1.317 -4.176 -4.176 59 1HB GLU 9 HB2 GLU 9 2.647 -6.305 -6.305 60 2HB GLU 9 HB1 GLU 9 0.997 -6.490 -6.490 61 1HG GLU 9 HG2 GLU 9 0.402 -7.861 -7.861 62 2HG GLU 9 HG1 GLU 9 1.305 -6.920 -6.920 63 H GLY 10 HN GLY 10 3.311 -3.464 -3.464 64 1HA GLY 10 HA2 GLY 10 4.474 -4.234 -4.234 65 2HA GLY 10 HA1 GLY 10 3.808 -2.605 -2.605 66 HA PRO 11 HA PRO 11 8.063 -2.458 -2.458 67 1HB PRO 11 HB2 PRO 11 9.383 -1.400 -1.400 68 2HB PRO 11 HB1 PRO 11 9.287 -3.140 -3.140 69 1HG PRO 11 HG2 PRO 11 7.852 -1.532 -1.532 70 2HG PRO 11 HG1 PRO 11 8.262 -3.255 -3.255 71 1HD PRO 11 HD2 PRO 11 5.716 -2.146 -2.146 72 2HD PRO 11 HD1 PRO 11 6.215 -3.828 -3.828 73 H GLY 12 HN GLY 12 5.575 -0.643 -0.643 74 1HA GLY 12 HA2 GLY 12 6.885 1.977 1.977 75 2HA GLY 12 HA1 GLY 12 5.461 1.773 1.773 76 H LEU 13 HN LEU 13 5.587 3.455 3.455 77 HA LEU 13 HA LEU 13 3.891 4.009 4.009 78 1HB LEU 13 HB2 LEU 13 2.002 2.847 2.847 79 2HB LEU 13 HB1 LEU 13 2.804 1.690 1.690 80 HG LEU 13 HG LEU 13 3.027 1.477 1.477 81 1HD1 LEU 13 HD12 LEU 13 0.607 1.646 1.646 82 2HD1 LEU 13 HD11 LEU 13 0.933 -0.017 -0.017 83 3HD1 LEU 13 HD13 LEU 13 0.992 0.427 0.427 84 1HD2 LEU 13 HD22 LEU 13 3.062 -0.564 -0.564 85 2HD2 LEU 13 HD21 LEU 13 4.472 0.006 0.006 86 3HD2 LEU 13 HD23 LEU 13 3.234 -0.944 -0.944 87 H ASP 14 HN ASP 14 6.036 1.345 1.345 88 HA ASP 14 HA ASP 14 5.961 0.824 0.824 89 1HB ASP 14 HB2 ASP 14 8.586 1.312 1.312 90 2HB ASP 14 HB1 ASP 14 8.169 0.070 0.070 91 H GLY 15 HN GLY 15 6.870 3.665 3.665 92 1HA GLY 15 HA2 GLY 15 7.097 5.853 5.853 93 2HA GLY 15 HA1 GLY 15 7.235 5.115 5.115 94 H GLY 16 HN GLY 16 9.091 5.691 5.691 95 1HA GLY 16 HA2 GLY 16 11.409 5.879 5.879 96 2HA GLY 16 HA1 GLY 16 11.599 4.810 4.810 97 H GLU 17 HN GLU 17 11.430 5.874 5.874 98 HA GLU 17 HA GLU 17 12.509 8.653 8.653 99 1HB GLU 17 HB2 GLU 17 13.163 6.391 6.391 100 2HB GLU 17 HB1 GLU 17 13.611 8.044 8.044 101 1HG GLU 17 HG2 GLU 17 15.459 7.703 7.703 102 2HG GLU 17 HG1 GLU 17 14.386 7.696 7.696 103 H CYS 18 HN CYS 18 11.797 10.188 10.188 104 HA CYS 18 HA CYS 18 9.253 9.687 9.687 105 1HB CYS 18 HB2 CYS 18 10.778 12.137 12.137 106 2HB CYS 18 HB1 CYS 18 9.743 12.244 12.244 107 HG CYS 18 HG CYS 18 8.639 12.553 12.553 108 H PHE 19 HN PHE 19 12.604 9.941 9.941 109 HA PHE 19 HA PHE 19 12.128 10.652 10.652 110 1HB PHE 19 HB2 PHE 19 14.612 10.154 10.154 111 2HB PHE 19 HB1 PHE 19 14.673 10.343 10.343 112 HD1 PHE 19 HD2 PHE 19 12.737 11.917 11.917 113 HD2 PHE 19 HD1 PHE 19 15.222 12.528 12.528 114 HE1 PHE 19 HE2 PHE 19 12.443 14.350 14.350 115 HE2 PHE 19 HE1 PHE 19 14.925 14.982 14.982 116 HZ PHE 19 HZ PHE 19 13.519 15.869 15.869 117 H GLN 20 HN GLN 20 11.499 7.973 7.973 118 HA GLN 20 HA GLN 20 12.768 6.163 6.163 119 1HB GLN 20 HB2 GLN 20 11.565 5.818 5.818 120 2HB GLN 20 HB1 GLN 20 11.321 4.502 4.502 121 1HG GLN 20 HG2 GLN 20 13.726 4.323 4.323 122 2HG GLN 20 HG1 GLN 20 14.016 5.707 5.707 123 1HE2 GLN 20 HE22 GLN 20 13.208 2.051 2.051 124 2HE2 GLN 20 HE21 GLN 20 13.044 2.296 2.296 125 HA PRO 21 HA PRO 21 9.015 6.162 6.162 126 1HB PRO 21 HB2 PRO 21 9.104 3.613 3.613 127 2HB PRO 21 HB1 PRO 21 10.083 4.959 4.959 128 1HG PRO 21 HG2 PRO 21 10.904 2.651 2.651 129 2HG PRO 21 HG1 PRO 21 11.857 3.566 3.566 130 1HD PRO 21 HD2 PRO 21 12.009 3.905 3.905 131 2HD PRO 21 HD1 PRO 21 12.542 5.104 5.104 132 H SER 22 HN SER 22 6.929 5.927 5.927 133 HA SER 22 HA SER 22 6.557 3.719 3.719 134 1HB SER 22 HB2 SER 22 6.016 6.412 6.412 135 2HB SER 22 HB1 SER 22 4.450 5.697 5.697 136 HG SER 22 HG SER 22 6.189 4.899 4.899 137 H LYS 23 HN LYS 23 5.739 1.944 1.944 138 HA LYS 23 HA LYS 23 3.210 2.282 2.282 139 1HB LYS 23 HB2 LYS 23 5.366 0.614 0.614 140 2HB LYS 23 HB1 LYS 23 3.914 1.281 1.281 141 1HG LYS 23 HG2 LYS 23 5.530 2.712 2.712 142 2HG LYS 23 HG1 LYS 23 5.029 3.590 3.590 143 1HD LYS 23 HD2 LYS 23 7.300 3.614 3.614 144 2HD LYS 23 HD1 LYS 23 6.921 2.075 2.075 145 1HE LYS 23 HE2 LYS 23 7.195 1.355 1.355 146 2HE LYS 23 HE1 LYS 23 8.430 2.599 2.599 147 1HZ LYS 23 HZ2 LYS 23 8.956 1.310 1.310 148 2HZ LYS 23 HZ1 LYS 23 8.166 0.023 0.023 149 3HZ LYS 23 HZ3 LYS 23 9.537 0.727 0.727 150 H PHE 24 HN PHE 24 1.876 0.565 0.565 151 HA PHE 24 HA PHE 24 3.053 -1.974 -1.974 152 1HB PHE 24 HB2 PHE 24 0.636 -1.594 -1.594 153 2HB PHE 24 HB1 PHE 24 2.269 -1.786 -1.786 154 HD1 PHE 24 HD1 PHE 24 3.773 0.404 0.404 155 HD2 PHE 24 HD2 PHE 24 -0.499 0.332 0.332 156 HE1 PHE 24 HE1 PHE 24 3.804 2.779 2.779 157 HE2 PHE 24 HE2 PHE 24 -0.466 2.714 2.714 158 HZ PHE 24 HZ PHE 24 1.696 3.921 3.921 159 H LYS 25 HN LYS 25 1.516 -3.789 -3.789 160 HA LYS 25 HA LYS 25 -0.490 -3.227 -3.227 161 1HB LYS 25 HB2 LYS 25 1.135 -5.721 -5.721 162 2HB LYS 25 HB1 LYS 25 -0.166 -5.662 -5.662 163 1HG LYS 25 HG2 LYS 25 1.189 -4.714 -4.714 164 2HG LYS 25 HG1 LYS 25 1.653 -3.446 -3.446 165 1HD LYS 25 HD2 LYS 25 3.532 -4.579 -4.579 166 2HD LYS 25 HD1 LYS 25 2.816 -6.165 -6.165 167 1HE LYS 25 HE2 LYS 25 4.121 -6.193 -6.193 168 2HE LYS 25 HE1 LYS 25 2.921 -5.093 -5.093 169 1HZ LYS 25 HZ3 LYS 25 4.902 -3.820 -3.820 170 2HZ LYS 25 HZ2 LYS 25 5.536 -4.532 -4.532 171 3HZ LYS 25 HZ1 LYS 25 4.308 -3.363 -3.363 172 H ILE 26 HN ILE 26 -2.581 -4.010 -4.010 173 HA ILE 26 HA ILE 26 -3.114 -5.092 -5.092 174 HB ILE 26 HB ILE 26 -5.110 -3.804 -3.804 175 1HG1 ILE 26 HG12 ILE 26 -3.158 -2.542 -2.542 176 2HG1 ILE 26 HG11 ILE 26 -3.393 -2.153 -2.153 177 1HG2 ILE 26 HG23 ILE 26 -5.847 -5.136 -5.136 178 2HG2 ILE 26 HG22 ILE 26 -5.007 -3.950 -3.950 179 3HG2 ILE 26 HG21 ILE 26 -6.363 -3.453 -3.453 180 1HD1 ILE 26 HD12 ILE 26 -5.925 -1.830 -1.830 181 2HD1 ILE 26 HD11 ILE 26 -4.818 -1.148 -1.148 182 3HD1 ILE 26 HD13 ILE 26 -4.814 -0.539 -0.539 183 H HIS 27 HN HIS 27 -4.551 -6.837 -6.837 184 HA HIS 27 HA HIS 27 -5.434 -8.203 -8.203 185 1HB HIS 27 HB2 HIS 27 -4.559 -10.156 -10.156 186 2HB HIS 27 HB1 HIS 27 -4.082 -9.992 -9.992 187 HD1 HIS 27 HD1 HIS 27 -2.406 -7.638 -7.638 188 HD2 HIS 27 HD2 HIS 27 -2.323 -9.925 -9.925 189 HE1 HIS 27 HE1 HIS 27 -0.265 -7.042 -7.042 190 H ALA 28 HN ALA 28 -7.575 -8.536 -8.536 191 HA ALA 28 HA ALA 28 -8.674 -8.936 -8.936 192 1HB ALA 28 HB2 ALA 28 -9.692 -7.694 -7.694 193 2HB ALA 28 HB1 ALA 28 -10.870 -8.562 -8.562 194 3HB ALA 28 HB3 ALA 28 -9.957 -7.222 -7.222 195 H VAL 29 HN VAL 29 -9.765 -10.855 -10.855 196 HA VAL 29 HA VAL 29 -10.163 -12.788 -12.788 197 HB VAL 29 HB VAL 29 -8.708 -13.102 -13.102 198 1HG1 VAL 29 HG13 VAL 29 -10.741 -15.216 -15.216 199 2HG1 VAL 29 HG12 VAL 29 -9.502 -15.401 -15.401 200 3HG1 VAL 29 HG11 VAL 29 -10.807 -14.236 -14.236 201 1HG2 VAL 29 HG22 VAL 29 -7.839 -13.528 -13.528 202 2HG2 VAL 29 HG21 VAL 29 -7.681 -14.925 -14.925 203 3HG2 VAL 29 HG23 VAL 29 -8.970 -14.875 -14.875 204 H ASP 30 HN ASP 30 -12.213 -13.538 -13.538 205 HA ASP 30 HA ASP 30 -14.113 -12.719 -12.719 206 1HB ASP 30 HB2 ASP 30 -15.641 -12.239 -12.239 207 2HB ASP 30 HB1 ASP 30 -14.189 -12.061 -12.061 208 HA PRO 31 HA PRO 31 -15.295 -16.861 -16.861 209 1HB PRO 31 HB2 PRO 31 -18.027 -16.937 -16.937 210 2HB PRO 31 HB1 PRO 31 -17.205 -16.161 -16.161 211 1HG PRO 31 HG2 PRO 31 -18.545 -14.902 -14.902 212 2HG PRO 31 HG1 PRO 31 -18.263 -14.242 -14.242 213 1HD PRO 31 HD2 PRO 31 -16.776 -13.634 -13.634 214 2HD PRO 31 HD1 PRO 31 -16.319 -13.224 -13.224 215 H ASP 32 HN ASP 32 -14.996 -16.102 -16.102 216 HA ASP 32 HA ASP 32 -16.320 -18.617 -18.617 217 1HB ASP 32 HB2 ASP 32 -15.768 -15.997 -15.997 218 2HB ASP 32 HB1 ASP 32 -16.087 -17.483 -17.483 219 H GLY 33 HN GLY 33 -13.457 -17.615 -17.615 220 1HA GLY 33 HA2 GLY 33 -11.284 -18.480 -18.480 221 2HA GLY 33 HA1 GLY 33 -11.950 -19.560 -19.560 222 H VAL 34 HN VAL 34 -12.327 -16.079 -16.079 223 HA VAL 34 HA VAL 34 -10.470 -15.667 -15.667 224 HB VAL 34 HB VAL 34 -13.252 -14.595 -14.595 225 1HG1 VAL 34 HG13 VAL 34 -10.859 -15.157 -15.157 226 2HG1 VAL 34 HG12 VAL 34 -12.393 -15.537 -15.537 227 3HG1 VAL 34 HG11 VAL 34 -12.085 -13.904 -13.904 228 1HG2 VAL 34 HG22 VAL 34 -12.431 -17.476 -17.476 229 2HG2 VAL 34 HG21 VAL 34 -13.779 -16.885 -16.885 230 3HG2 VAL 34 HG23 VAL 34 -13.826 -16.738 -16.738 231 H HIS 35 HN HIS 35 -10.936 -13.131 -13.131 232 HA HIS 35 HA HIS 35 -10.656 -11.707 -11.707 233 1HB HIS 35 HB2 HIS 35 -10.018 -10.965 -10.965 234 2HB HIS 35 HB1 HIS 35 -9.994 -9.776 -9.776 235 HD1 HIS 35 HD1 HIS 35 -8.991 -12.788 -12.788 236 HD2 HIS 35 HD2 HIS 35 -7.049 -10.092 -10.092 237 HE1 HIS 35 HE1 HIS 35 -6.501 -13.157 -13.157 238 H ARG 36 HN ARG 36 -13.159 -12.444 -12.444 239 HA ARG 36 HA ARG 36 -15.378 -11.739 -11.739 240 1HB ARG 36 HB2 ARG 36 -13.823 -9.539 -9.539 241 2HB ARG 36 HB1 ARG 36 -14.933 -8.911 -8.911 242 1HG ARG 36 HG2 ARG 36 -16.699 -10.382 -10.382 243 2HG ARG 36 HG1 ARG 36 -15.552 -10.228 -10.228 244 1HD ARG 36 HD2 ARG 36 -17.176 -8.409 -8.409 245 2HD ARG 36 HD1 ARG 36 -15.601 -7.745 -7.745 246 HE ARG 36 HE ARG 36 -16.525 -7.088 -7.088 247 1HH1 ARG 36 HH11 ARG 36 -18.531 -9.361 -9.361 248 2HH1 ARG 36 HH12 ARG 36 -19.743 -9.387 -9.387 249 1HH2 ARG 36 HH21 ARG 36 -18.044 -7.201 -7.201 250 2HH2 ARG 36 HH22 ARG 36 -19.467 -8.167 -8.167 251 H THR 37 HN THR 37 -15.030 -12.790 -12.790 252 HA THR 37 HA THR 37 -15.239 -12.670 -12.670 253 HB THR 37 HB THR 37 -17.096 -10.506 -10.506 254 HG1 THR 37 HG1 THR 37 -18.537 -11.414 -11.414 255 1HG2 THR 37 HG21 THR 37 -16.901 -13.319 -13.319 256 2HG2 THR 37 HG23 THR 37 -18.445 -12.988 -12.988 257 3HG2 THR 37 HG22 THR 37 -18.009 -12.136 -12.136 258 H ASP 38 HN ASP 38 -13.040 -11.730 -11.730 259 HA ASP 38 HA ASP 38 -12.204 -9.129 -9.129 260 1HB ASP 38 HB2 ASP 38 -11.290 -11.383 -11.383 261 2HB ASP 38 HB1 ASP 38 -11.529 -10.217 -10.217 262 H GLY 39 HN GLY 39 -12.105 -7.352 -7.352 263 1HA GLY 39 HA2 GLY 39 -12.995 -6.272 -6.272 264 2HA GLY 39 HA1 GLY 39 -14.393 -7.342 -7.342 265 H GLY 40 HN GLY 40 -15.098 -7.029 -7.029 266 1HA GLY 40 HA2 GLY 40 -15.507 -4.089 -4.089 267 2HA GLY 40 HA1 GLY 40 -16.907 -5.158 -5.158 268 H ASP 41 HN ASP 41 -13.708 -4.915 -4.915 269 HA ASP 41 HA ASP 41 -14.959 -6.093 -6.093 270 1HB ASP 41 HB2 ASP 41 -12.115 -5.261 -5.261 271 2HB ASP 41 HB1 ASP 41 -12.601 -5.806 -5.806 272 H GLY 42 HN GLY 42 -15.750 -4.818 -4.818 273 1HA GLY 42 HA2 GLY 42 -15.783 -1.945 -1.945 274 2HA GLY 42 HA1 GLY 42 -16.295 -2.852 -2.852 275 H PHE 43 HN PHE 43 -13.286 -2.072 -2.072 276 HA PHE 43 HA PHE 43 -11.869 -2.009 -2.009 277 1HB PHE 43 HB2 PHE 43 -11.242 -3.109 -3.109 278 2HB PHE 43 HB1 PHE 43 -10.173 -1.723 -1.723 279 HD1 PHE 43 HD1 PHE 43 -9.734 -1.639 -1.639 280 HD2 PHE 43 HD2 PHE 43 -9.951 -5.000 -5.000 281 HE1 PHE 43 HE1 PHE 43 -8.291 -2.955 -2.955 282 HE2 PHE 43 HE2 PHE 43 -8.500 -6.306 -6.306 283 HZ PHE 43 HZ PHE 43 -7.677 -5.289 -5.289 284 H VAL 44 HN VAL 44 -11.575 -0.046 -0.046 285 HA VAL 44 HA VAL 44 -10.961 2.215 2.215 286 HB VAL 44 HB VAL 44 -13.028 2.993 2.993 287 1HG1 VAL 44 HG12 VAL 44 -12.666 0.991 0.991 288 2HG1 VAL 44 HG11 VAL 44 -13.432 2.455 2.455 289 3HG1 VAL 44 HG13 VAL 44 -14.149 1.576 1.576 290 1HG2 VAL 44 HG23 VAL 44 -11.092 4.415 4.415 291 2HG2 VAL 44 HG22 VAL 44 -12.722 4.692 4.692 292 3HG2 VAL 44 HG21 VAL 44 -11.582 3.723 3.723 293 H VAL 45 HN VAL 45 -8.853 2.674 2.674 294 HA VAL 45 HA VAL 45 -7.881 2.558 2.558 295 HB VAL 45 HB VAL 45 -6.198 2.082 2.082 296 1HG1 VAL 45 HG12 VAL 45 -5.752 1.653 1.653 297 2HG1 VAL 45 HG11 VAL 45 -4.651 1.093 1.093 298 3HG1 VAL 45 HG13 VAL 45 -4.927 2.820 2.820 299 1HG2 VAL 45 HG21 VAL 45 -8.174 0.388 0.388 300 2HG2 VAL 45 HG23 VAL 45 -6.792 -0.102 -0.102 301 3HG2 VAL 45 HG22 VAL 45 -6.709 -0.211 -0.211 302 H THR 46 HN THR 46 -6.464 4.247 4.247 303 HA THR 46 HA THR 46 -5.822 6.344 6.344 304 HB THR 46 HB THR 46 -7.141 7.734 7.734 305 HG1 THR 46 HG1 THR 46 -8.983 6.102 6.102 306 1HG2 THR 46 HG23 THR 46 -6.750 8.137 8.137 307 2HG2 THR 46 HG22 THR 46 -8.334 7.374 7.374 308 3HG2 THR 46 HG21 THR 46 -8.142 8.847 8.847 309 H ILE 47 HN ILE 47 -3.934 7.167 7.167 310 HA ILE 47 HA ILE 47 -3.070 7.138 7.138 311 HB ILE 47 HB ILE 47 -1.561 6.578 6.578 312 1HG1 ILE 47 HG12 ILE 47 -2.136 5.223 5.223 313 2HG1 ILE 47 HG11 ILE 47 -1.739 4.530 4.530 314 1HG2 ILE 47 HG22 ILE 47 -0.384 8.491 8.491 315 2HG2 ILE 47 HG21 ILE 47 -0.332 7.644 7.644 316 3HG2 ILE 47 HG23 ILE 47 0.567 7.022 7.022 317 1HD1 ILE 47 HD11 ILE 47 0.655 5.404 5.404 318 2HD1 ILE 47 HD13 ILE 47 0.154 5.587 5.587 319 3HD1 ILE 47 HD12 ILE 47 0.141 3.993 3.993 320 H GLU 48 HN GLU 48 -1.713 8.981 8.981 321 HA GLU 48 HA GLU 48 -1.244 11.103 11.103 322 1HB GLU 48 HB2 GLU 48 -2.894 12.669 12.669 323 2HB GLU 48 HB1 GLU 48 -3.397 11.900 11.900 324 1HG GLU 48 HG2 GLU 48 -4.755 10.408 10.408 325 2HG GLU 48 HG1 GLU 48 -3.641 10.209 10.209 326 H GLY 49 HN GLY 49 -0.166 12.886 12.886 327 1HA GLY 49 HA2 GLY 49 0.371 12.976 12.976 328 2HA GLY 49 HA1 GLY 49 1.747 12.424 12.424 329 HA PRO 50 HA PRO 50 1.732 17.056 17.056 330 1HB PRO 50 HB2 PRO 50 4.310 17.321 17.321 331 2HB PRO 50 HB1 PRO 50 2.891 17.251 17.251 332 1HG PRO 50 HG2 PRO 50 4.932 15.142 15.142 333 2HG PRO 50 HG1 PRO 50 3.950 15.401 15.401 334 1HD PRO 50 HD2 PRO 50 3.455 13.458 13.458 335 2HD PRO 50 HD1 PRO 50 2.292 14.001 14.001 336 H ALA 51 HN ALA 51 1.732 16.216 16.216 337 HA ALA 51 HA ALA 51 4.212 17.121 17.121 338 1HB ALA 51 HB3 ALA 51 3.997 14.417 14.417 339 2HB ALA 51 HB2 ALA 51 3.390 14.529 14.529 340 3HB ALA 51 HB1 ALA 51 5.005 15.121 15.121 341 HA PRO 52 HA PRO 52 1.460 18.097 18.097 342 1HB PRO 52 HB2 PRO 52 2.838 17.344 17.344 343 2HB PRO 52 HB1 PRO 52 3.264 18.755 18.755 344 1HG PRO 52 HG2 PRO 52 4.628 16.109 16.109 345 2HG PRO 52 HG1 PRO 52 5.296 17.689 17.689 346 1HD PRO 52 HD2 PRO 52 4.607 15.618 15.618 347 2HD PRO 52 HD1 PRO 52 4.974 17.302 17.302 348 H VAL 53 HN VAL 53 2.919 14.958 14.958 349 HA VAL 53 HA VAL 53 0.313 14.081 14.081 350 HB VAL 53 HB VAL 53 2.715 12.293 12.293 351 1HG1 VAL 53 HG11 VAL 53 0.200 12.357 12.357 352 2HG1 VAL 53 HG13 VAL 53 1.470 12.475 12.475 353 3HG1 VAL 53 HG12 VAL 53 1.452 11.118 11.118 354 1HG2 VAL 53 HG21 VAL 53 2.416 14.731 14.731 355 2HG2 VAL 53 HG23 VAL 53 3.761 14.338 14.338 356 3HG2 VAL 53 HG22 VAL 53 3.493 13.391 13.391 357 H ASP 54 HN ASP 54 -0.624 14.149 14.149 358 HA ASP 54 HA ASP 54 0.355 12.011 12.011 359 1HB ASP 54 HB2 ASP 54 -1.847 14.066 14.066 360 2HB ASP 54 HB1 ASP 54 -1.457 12.855 12.855 361 HA PRO 55 HA PRO 55 -3.969 10.282 10.282 362 1HB PRO 55 HB2 PRO 55 -5.352 11.451 11.451 363 2HB PRO 55 HB1 PRO 55 -5.496 11.974 11.974 364 1HG PRO 55 HG2 PRO 55 -4.101 13.312 13.312 365 2HG PRO 55 HG1 PRO 55 -4.760 14.017 14.017 366 1HD PRO 55 HD2 PRO 55 -2.023 13.438 13.438 367 2HD PRO 55 HD1 PRO 55 -2.723 13.924 13.924 368 H VAL 56 HN VAL 56 -2.587 8.566 8.566 369 HA VAL 56 HA VAL 56 -2.650 8.507 8.507 370 HB VAL 56 HB VAL 56 -0.428 7.378 7.378 371 1HG1 VAL 56 HG11 VAL 56 -1.148 7.482 7.482 372 2HG1 VAL 56 HG13 VAL 56 0.390 8.309 8.309 373 3HG1 VAL 56 HG12 VAL 56 0.197 6.633 6.633 374 1HG2 VAL 56 HG21 VAL 56 -0.866 10.196 10.196 375 2HG2 VAL 56 HG23 VAL 56 -0.244 9.654 9.654 376 3HG2 VAL 56 HG22 VAL 56 0.770 9.550 9.550 377 H MET 57 HN MET 57 -4.461 7.015 7.015 378 HA MET 57 HA MET 57 -3.539 4.294 4.294 379 1HB MET 57 HB2 MET 57 -5.511 3.742 3.742 380 2HB MET 57 HB1 MET 57 -4.944 5.271 5.271 381 1HG MET 57 HG2 MET 57 -6.996 6.105 6.105 382 2HG MET 57 HG1 MET 57 -6.601 5.996 5.996 383 1HE MET 57 HE2 MET 57 -8.021 5.437 5.437 384 2HE MET 57 HE1 MET 57 -7.656 3.742 3.742 385 3HE MET 57 HE3 MET 57 -9.313 4.240 4.240 386 H VAL 58 HN VAL 58 -4.133 2.761 2.761 387 HA VAL 58 HA VAL 58 -6.199 3.517 3.517 388 HB VAL 58 HB VAL 58 -3.914 2.000 2.000 389 1HG1 VAL 58 HG12 VAL 58 -6.066 3.528 3.528 390 2HG1 VAL 58 HG11 VAL 58 -4.638 4.498 4.498 391 3HG1 VAL 58 HG13 VAL 58 -4.760 2.848 2.848 392 1HG2 VAL 58 HG23 VAL 58 -3.609 4.910 4.910 393 2HG2 VAL 58 HG22 VAL 58 -2.682 3.552 3.552 394 3HG2 VAL 58 HG21 VAL 58 -2.494 4.034 4.034 395 H ASP 59 HN ASP 59 -7.113 1.679 1.679 396 HA ASP 59 HA ASP 59 -6.909 -0.856 -0.856 397 1HB ASP 59 HB2 ASP 59 -9.146 0.021 0.021 398 2HB ASP 59 HB1 ASP 59 -9.142 0.330 0.330 399 H ASN 60 HN ASN 60 -6.115 -2.637 -2.637 400 HA ASN 60 HA ASN 60 -5.391 -2.310 -2.310 401 1HB ASN 60 HB2 ASN 60 -4.373 -3.805 -3.805 402 2HB ASN 60 HB1 ASN 60 -4.689 -4.898 -4.898 403 1HD2 ASN 60 HD22 ASN 60 -2.153 -3.509 -3.509 404 2HD2 ASN 60 HD21 ASN 60 -3.541 -4.484 -4.484 405 H GLY 61 HN GLY 61 -8.103 -3.407 -3.407 406 1HA GLY 61 HA2 GLY 61 -9.948 -4.608 -4.608 407 2HA GLY 61 HA1 GLY 61 -9.211 -4.521 -4.521 408 H ASP 62 HN ASP 62 -7.067 -5.856 -5.856 409 HA ASP 62 HA ASP 62 -7.760 -8.602 -8.602 410 1HB ASP 62 HB2 ASP 62 -5.374 -9.140 -9.140 411 2HB ASP 62 HB1 ASP 62 -5.550 -7.783 -7.783 412 H GLY 63 HN GLY 63 -8.999 -7.356 -7.356 413 1HA GLY 63 HA2 GLY 63 -9.577 -8.000 -8.000 414 2HA GLY 63 HA1 GLY 63 -8.628 -9.462 -9.462 415 H THR 64 HN THR 64 -6.761 -6.755 -6.755 416 HA THR 64 HA THR 64 -5.762 -6.545 -6.545 417 HB THR 64 HB THR 64 -3.490 -6.825 -6.825 418 HG1 THR 64 HG1 THR 64 -2.912 -6.972 -6.972 419 1HG2 THR 64 HG22 THR 64 -5.074 -8.885 -8.885 420 2HG2 THR 64 HG21 THR 64 -4.888 -8.972 -8.972 421 3HG2 THR 64 HG23 THR 64 -3.474 -9.111 -9.111 422 H TYR 65 HN TYR 65 -4.752 -4.513 -4.513 423 HA TYR 65 HA TYR 65 -5.091 -2.500 -2.500 424 1HB TYR 65 HB2 TYR 65 -5.737 -2.213 -2.213 425 2HB TYR 65 HB1 TYR 65 -5.774 -0.886 -0.886 426 HD1 TYR 65 HD2 TYR 65 -6.989 -4.436 -4.436 427 HD2 TYR 65 HD1 TYR 65 -7.828 -0.405 -0.405 428 HE1 TYR 65 HE2 TYR 65 -9.205 -5.142 -5.142 429 HE2 TYR 65 HE1 TYR 65 -10.054 -1.110 -1.110 430 HH TYR 65 HH TYR 65 -11.053 -3.453 -3.453 431 H ASP 66 HN ASP 66 -3.646 -0.672 -0.672 432 HA ASP 66 HA ASP 66 -1.218 -1.167 -1.167 433 1HB ASP 66 HB2 ASP 66 -1.107 -1.666 -1.666 434 2HB ASP 66 HB1 ASP 66 -1.057 0.090 0.090 435 H VAL 67 HN VAL 67 -0.764 0.554 0.554 436 HA VAL 67 HA VAL 67 -1.795 3.205 3.205 437 HB VAL 67 HB VAL 67 -2.365 3.733 3.733 438 1HG1 VAL 67 HG12 VAL 67 -3.638 1.747 1.747 439 2HG1 VAL 67 HG11 VAL 67 -2.901 0.779 0.779 440 3HG1 VAL 67 HG13 VAL 67 -3.978 2.112 2.112 441 1HG2 VAL 67 HG22 VAL 67 -0.319 1.728 1.728 442 2HG2 VAL 67 HG21 VAL 67 -0.752 3.205 3.205 443 3HG2 VAL 67 HG23 VAL 67 -1.706 1.740 1.740 444 H GLU 68 HN GLU 68 -0.266 4.981 4.981 445 HA GLU 68 HA GLU 68 2.363 4.330 4.330 446 1HB GLU 68 HB2 GLU 68 2.381 5.416 5.416 447 2HB GLU 68 HB1 GLU 68 3.646 4.535 4.535 448 1HG GLU 68 HG2 GLU 68 2.839 2.909 2.909 449 2HG GLU 68 HG1 GLU 68 1.891 2.564 2.564 450 H PHE 69 HN PHE 69 3.186 6.093 6.093 451 HA PHE 69 HA PHE 69 2.646 8.752 8.752 452 1HB PHE 69 HB2 PHE 69 2.228 9.819 9.819 453 2HB PHE 69 HB1 PHE 69 1.077 8.501 8.501 454 HD1 PHE 69 HD2 PHE 69 2.178 6.119 6.119 455 HD2 PHE 69 HD1 PHE 69 3.165 10.039 10.039 456 HE1 PHE 69 HE2 PHE 69 3.001 5.145 5.145 457 HE2 PHE 69 HE1 PHE 69 3.980 9.058 9.058 458 HZ PHE 69 HZ PHE 69 3.880 6.597 6.597 459 H GLU 70 HN GLU 70 4.410 10.319 10.319 460 HA GLU 70 HA GLU 70 6.808 9.129 9.129 461 1HB GLU 70 HB2 GLU 70 6.827 8.469 8.469 462 2HB GLU 70 HB1 GLU 70 6.873 10.181 10.181 463 1HG GLU 70 HG2 GLU 70 8.970 10.442 10.442 464 2HG GLU 70 HG1 GLU 70 8.926 8.728 8.728 465 HA PRO 71 HA PRO 71 6.552 13.586 13.586 466 1HB PRO 71 HB2 PRO 71 7.436 13.275 13.275 467 2HB PRO 71 HB1 PRO 71 5.743 13.080 13.080 468 1HG PRO 71 HG2 PRO 71 7.740 10.987 10.987 469 2HG PRO 71 HG1 PRO 71 5.973 10.935 10.935 470 1HD PRO 71 HD2 PRO 71 7.565 9.738 9.738 471 2HD PRO 71 HD1 PRO 71 5.800 9.937 9.937 472 H LYS 72 HN LYS 72 8.338 15.021 15.021 473 HA LYS 72 HA LYS 72 11.099 13.969 13.969 474 1HB LYS 72 HB2 LYS 72 10.049 16.606 16.606 475 2HB LYS 72 HB1 LYS 72 11.700 16.008 16.008 476 1HG LYS 72 HG2 LYS 72 10.985 15.181 15.181 477 2HG LYS 72 HG1 LYS 72 10.274 13.901 13.901 478 1HD LYS 72 HD2 LYS 72 8.157 15.135 15.135 479 2HD LYS 72 HD1 LYS 72 8.859 16.460 16.460 480 1HE LYS 72 HE2 LYS 72 9.416 14.421 14.421 481 2HE LYS 72 HE1 LYS 72 7.962 13.775 13.775 482 1HZ LYS 72 HZ2 LYS 72 7.340 16.376 16.376 483 2HZ LYS 72 HZ1 LYS 72 8.234 15.923 15.923 484 3HZ LYS 72 HZ3 LYS 72 6.854 15.042 15.042 485 H GLU 73 HN GLU 73 9.590 14.612 14.612 486 HA GLU 73 HA GLU 73 11.640 16.360 16.360 487 1HB GLU 73 HB2 GLU 73 10.016 17.905 17.905 488 2HB GLU 73 HB1 GLU 73 9.831 17.911 17.911 489 1HG GLU 73 HG2 GLU 73 7.805 16.810 16.810 490 2HG GLU 73 HG1 GLU 73 8.198 15.951 15.951 491 H ALA 74 HN ALA 74 10.409 16.676 16.676 492 HA ALA 74 HA ALA 74 10.376 13.884 13.884 493 1HB ALA 74 HB2 ALA 74 11.635 15.919 15.919 494 2HB ALA 74 HB1 ALA 74 10.046 16.310 16.310 495 3HB ALA 74 HB3 ALA 74 10.801 14.763 14.763 496 H GLY 75 HN GLY 75 8.403 12.895 12.895 497 1HA GLY 75 HA2 GLY 75 6.058 14.416 14.416 498 2HA GLY 75 HA1 GLY 75 5.997 13.902 13.902 499 H ASP 76 HN ASP 76 4.132 13.033 13.033 500 HA ASP 76 HA ASP 76 4.873 10.167 10.167 501 1HB ASP 76 HB2 ASP 76 2.967 10.163 10.163 502 2HB ASP 76 HB1 ASP 76 4.237 11.298 11.298 503 H TYR 77 HN TYR 77 3.171 8.633 8.633 504 HA TYR 77 HA TYR 77 1.520 9.635 9.635 505 1HB TYR 77 HB2 TYR 77 2.218 6.759 6.759 506 2HB TYR 77 HB1 TYR 77 1.661 7.494 7.494 507 HD1 TYR 77 HD1 TYR 77 3.477 9.992 9.992 508 HD2 TYR 77 HD2 TYR 77 4.172 5.771 5.771 509 HE1 TYR 77 HE1 TYR 77 5.795 10.330 10.330 510 HE2 TYR 77 HE2 TYR 77 6.487 6.093 6.093 511 HH TYR 77 HH TYR 77 7.703 7.969 7.969 512 H VAL 78 HN VAL 78 -0.585 9.274 9.274 513 HA VAL 78 HA VAL 78 -1.769 7.654 7.654 514 HB VAL 78 HB VAL 78 -2.620 9.818 9.818 515 1HG1 VAL 78 HG12 VAL 78 -2.449 9.986 9.986 516 2HG1 VAL 78 HG11 VAL 78 -3.621 11.014 11.014 517 3HG1 VAL 78 HG13 VAL 78 -1.906 11.142 11.142 518 1HG2 VAL 78 HG23 VAL 78 -4.383 8.077 8.077 519 2HG2 VAL 78 HG22 VAL 78 -4.967 9.687 9.687 520 3HG2 VAL 78 HG21 VAL 78 -4.573 8.531 8.531 521 H ILE 79 HN ILE 79 -2.748 5.848 5.848 522 HA ILE 79 HA ILE 79 -3.164 5.831 5.831 523 HB ILE 79 HB ILE 79 -1.304 4.510 4.510 524 1HG1 ILE 79 HG12 ILE 79 -2.931 2.155 2.155 525 2HG1 ILE 79 HG11 ILE 79 -3.580 3.196 3.196 526 1HG2 ILE 79 HG21 ILE 79 -2.724 3.530 3.530 527 2HG2 ILE 79 HG23 ILE 79 -1.217 2.837 2.837 528 3HG2 ILE 79 HG22 ILE 79 -1.273 4.525 4.525 529 1HD1 ILE 79 HD11 ILE 79 -0.708 3.000 3.000 530 2HD1 ILE 79 HD13 ILE 79 -1.437 1.394 1.394 531 3HD1 ILE 79 HD12 ILE 79 -1.950 2.591 2.591 532 H ASN 80 HN ASN 80 -4.803 4.437 4.437 533 HA ASN 80 HA ASN 80 -6.963 3.643 3.643 534 1HB ASN 80 HB2 ASN 80 -7.566 5.525 5.525 535 2HB ASN 80 HB1 ASN 80 -8.591 5.089 5.089 536 1HD2 ASN 80 HD22 ASN 80 -5.846 8.056 8.056 537 2HD2 ASN 80 HD21 ASN 80 -5.915 7.158 7.158 538 H LEU 81 HN LEU 81 -7.429 1.663 1.663 539 HA LEU 81 HA LEU 81 -7.863 1.200 1.200 540 1HB LEU 81 HB2 LEU 81 -5.836 0.040 0.040 541 2HB LEU 81 HB1 LEU 81 -6.217 -0.434 -0.434 542 HG LEU 81 HG LEU 81 -7.978 -1.405 -1.405 543 1HD1 LEU 81 HD11 LEU 81 -5.137 -2.093 -2.093 544 2HD1 LEU 81 HD13 LEU 81 -6.239 -3.458 -3.458 545 3HD1 LEU 81 HD12 LEU 81 -6.122 -2.241 -2.241 546 1HD2 LEU 81 HD22 LEU 81 -7.198 -2.157 -2.157 547 2HD2 LEU 81 HD21 LEU 81 -8.796 -2.139 -2.139 548 3HD2 LEU 81 HD23 LEU 81 -7.675 -3.449 -3.449 549 H THR 82 HN THR 82 -9.788 0.204 0.204 550 HA THR 82 HA THR 82 -11.128 -1.172 -1.172 551 HB THR 82 HB THR 82 -13.228 0.186 0.186 552 HG1 THR 82 HG1 THR 82 -11.384 1.192 1.192 553 1HG2 THR 82 HG22 THR 82 -11.027 0.775 0.775 554 2HG2 THR 82 HG21 THR 82 -11.874 2.237 2.237 555 3HG2 THR 82 HG23 THR 82 -12.763 0.928 0.928 556 H LEU 83 HN LEU 83 -12.320 -2.902 -2.902 557 HA LEU 83 HA LEU 83 -13.119 -3.136 -3.136 558 1HB LEU 83 HB2 LEU 83 -10.942 -4.389 -4.389 559 2HB LEU 83 HB1 LEU 83 -11.866 -5.457 -5.457 560 HG LEU 83 HG LEU 83 -11.532 -6.201 -6.201 561 1HD1 LEU 83 HD13 LEU 83 -13.239 -7.061 -7.061 562 2HD1 LEU 83 HD12 LEU 83 -14.413 -6.030 -6.030 563 3HD1 LEU 83 HD11 LEU 83 -13.622 -7.332 -7.332 564 1HD2 LEU 83 HD22 LEU 83 -12.382 -3.741 -3.741 565 2HD2 LEU 83 HD21 LEU 83 -12.737 -5.126 -5.126 566 3HD2 LEU 83 HD23 LEU 83 -13.958 -4.522 -4.522 567 H ASP 84 HN ASP 84 -15.185 -2.562 -2.562 568 HA ASP 84 HA ASP 84 -17.221 -4.197 -4.197 569 1HB ASP 84 HB2 ASP 84 -15.591 -5.056 -5.056 570 2HB ASP 84 HB1 ASP 84 -17.349 -5.165 -5.165 571 H GLY 85 HN GLY 85 -15.511 -1.869 -1.869 572 1HA GLY 85 HA2 GLY 85 -17.001 0.214 0.214 573 2HA GLY 85 HA1 GLY 85 -18.047 -0.887 -0.887 574 H ASP 86 HN ASP 86 -14.944 -1.977 -1.977 575 HA ASP 86 HA ASP 86 -14.556 -0.171 -0.171 576 1HB ASP 86 HB2 ASP 86 -13.975 -2.067 -2.067 577 2HB ASP 86 HB1 ASP 86 -15.519 -2.448 -2.448 578 H ASN 87 HN ASN 87 -12.117 -0.640 -0.640 579 HA ASN 87 HA ASN 87 -10.490 -0.825 -0.825 580 1HB ASN 87 HB2 ASN 87 -8.847 0.480 0.480 581 2HB ASN 87 HB1 ASN 87 -9.912 1.302 1.302 582 1HD2 ASN 87 HD22 ASN 87 -11.070 1.107 1.107 583 2HD2 ASN 87 HD21 ASN 87 -10.053 -0.103 -0.103 584 H VAL 88 HN VAL 88 -8.283 -1.643 -1.643 585 HA VAL 88 HA VAL 88 -8.361 -4.130 -4.130 586 HB VAL 88 HB VAL 88 -6.210 -2.591 -2.591 587 1HG1 VAL 88 HG12 VAL 88 -5.089 -3.619 -3.619 588 2HG1 VAL 88 HG11 VAL 88 -5.780 -5.180 -5.180 589 3HG1 VAL 88 HG13 VAL 88 -4.612 -4.403 -4.403 590 1HG2 VAL 88 HG23 VAL 88 -8.059 -4.141 -4.141 591 2HG2 VAL 88 HG22 VAL 88 -6.400 -4.318 -4.318 592 3HG2 VAL 88 HG21 VAL 88 -7.051 -5.450 -5.450 593 H ASN 89 HN ASN 89 -6.551 -4.694 -4.694 594 HA ASN 89 HA ASN 89 -6.846 -2.780 -2.780 595 1HB ASN 89 HB2 ASN 89 -6.703 -5.507 -5.507 596 2HB ASN 89 HB1 ASN 89 -5.068 -5.093 -5.093 597 1HD2 ASN 89 HD22 ASN 89 -6.068 -4.014 -4.014 598 2HD2 ASN 89 HD21 ASN 89 -4.792 -4.150 -4.150 599 H GLY 90 HN GLY 90 -5.054 -2.126 -2.126 600 1HA GLY 90 HA2 GLY 90 -2.783 -1.167 -1.167 601 2HA GLY 90 HA1 GLY 90 -2.368 -2.189 -2.189 602 H PHE 91 HN PHE 91 -5.156 -0.130 -0.130 603 HA PHE 91 HA PHE 91 -3.786 1.609 1.609 604 1HB PHE 91 HB2 PHE 91 -6.299 0.083 0.083 605 2HB PHE 91 HB1 PHE 91 -6.380 1.717 1.717 606 HD1 PHE 91 HD1 PHE 91 -4.420 -1.449 -1.449 607 HD2 PHE 91 HD2 PHE 91 -5.308 2.244 2.244 608 HE1 PHE 91 HE1 PHE 91 -3.057 -2.133 -2.133 609 HE2 PHE 91 HE2 PHE 91 -3.982 1.581 1.581 610 HZ PHE 91 HZ PHE 91 -2.851 -0.641 -0.641 611 HA PRO 92 HA PRO 92 -6.726 4.579 4.579 612 1HB PRO 92 HB2 PRO 92 -7.842 3.854 3.854 613 2HB PRO 92 HB1 PRO 92 -8.666 3.706 3.706 614 1HG PRO 92 HG2 PRO 92 -7.429 1.576 1.576 615 2HG PRO 92 HG1 PRO 92 -8.763 1.458 1.458 616 1HD PRO 92 HD2 PRO 92 -6.115 0.659 0.659 617 2HD PRO 92 HD1 PRO 92 -7.340 0.913 0.913 618 H LYS 93 HN LYS 93 -4.035 3.142 3.142 619 HA LYS 93 HA LYS 93 -3.446 4.666 4.666 620 1HB LYS 93 HB2 LYS 93 -2.900 2.136 2.136 621 2HB LYS 93 HB1 LYS 93 -1.604 2.683 2.683 622 1HG LYS 93 HG2 LYS 93 -0.358 3.470 3.470 623 2HG LYS 93 HG1 LYS 93 -1.760 4.172 4.172 624 1HD LYS 93 HD2 LYS 93 -1.775 2.457 2.457 625 2HD LYS 93 HD1 LYS 93 -2.043 1.340 1.340 626 1HE LYS 93 HE2 LYS 93 0.626 1.865 1.865 627 2HE LYS 93 HE1 LYS 93 0.445 1.952 1.952 628 1HZ LYS 93 HZ1 LYS 93 -0.952 -0.257 -0.257 629 2HZ LYS 93 HZ3 LYS 93 0.729 -0.325 -0.325 630 3HZ LYS 93 HZ2 LYS 93 0.078 -0.229 -0.229 631 H THR 94 HN THR 94 -1.077 5.464 5.464 632 HA THR 94 HA THR 94 -0.578 6.723 6.723 633 HB THR 94 HB THR 94 -0.226 8.017 8.017 634 HG1 THR 94 HG1 THR 94 -2.435 7.617 7.617 635 1HG2 THR 94 HG22 THR 94 1.142 8.582 8.582 636 2HG2 THR 94 HG21 THR 94 -0.309 9.535 9.535 637 3HG2 THR 94 HG23 THR 94 0.642 9.828 9.828 638 H VAL 95 HN VAL 95 1.444 6.443 6.443 639 HA VAL 95 HA VAL 95 3.386 5.273 5.273 640 HB VAL 95 HB VAL 95 3.153 5.188 5.188 641 1HG1 VAL 95 HG12 VAL 95 5.645 5.143 5.143 642 2HG1 VAL 95 HG11 VAL 95 5.455 3.852 3.852 643 3HG1 VAL 95 HG13 VAL 95 5.408 5.530 5.530 644 1HG2 VAL 95 HG23 VAL 95 2.856 3.400 3.400 645 2HG2 VAL 95 HG22 VAL 95 2.400 3.149 3.149 646 3HG2 VAL 95 HG21 VAL 95 4.036 2.770 2.770 647 H THR 96 HN THR 96 5.608 6.216 6.216 648 HA THR 96 HA THR 96 5.478 9.100 9.100 649 HB THR 96 HB THR 96 7.143 7.989 7.989 650 HG1 THR 96 HG1 THR 96 5.377 7.710 7.710 651 1HG2 THR 96 HG22 THR 96 6.917 10.502 10.502 652 2HG2 THR 96 HG21 THR 96 5.963 10.631 10.631 653 3HG2 THR 96 HG23 THR 96 7.658 10.152 10.152 654 H VAL 97 HN VAL 97 7.188 10.125 10.125 655 HA VAL 97 HA VAL 97 9.711 8.656 8.656 656 HB VAL 97 HB VAL 97 7.879 10.011 10.011 657 1HG1 VAL 97 HG12 VAL 97 10.893 9.922 9.922 658 2HG1 VAL 97 HG11 VAL 97 9.867 10.157 10.157 659 3HG1 VAL 97 HG13 VAL 97 9.859 11.348 11.348 660 1HG2 VAL 97 HG21 VAL 97 9.401 7.485 7.485 661 2HG2 VAL 97 HG23 VAL 97 7.840 7.766 7.766 662 3HG2 VAL 97 HG22 VAL 97 9.324 8.160 8.160 663 H LYS 98 HN LYS 98 11.435 9.906 9.906 664 HA LYS 98 HA LYS 98 10.850 12.798 12.798 665 1HB LYS 98 HB2 LYS 98 11.850 10.767 10.767 666 2HB LYS 98 HB1 LYS 98 13.029 12.070 12.070 667 1HG LYS 98 HG2 LYS 98 11.759 13.431 13.431 668 2HG LYS 98 HG1 LYS 98 10.381 13.189 13.189 669 1HD LYS 98 HD2 LYS 98 9.571 12.352 12.352 670 2HD LYS 98 HD1 LYS 98 10.155 10.890 10.890 671 1HE LYS 98 HE2 LYS 98 12.268 11.029 11.029 672 2HE LYS 98 HE1 LYS 98 11.748 12.533 12.533 673 1HZ LYS 98 HZ1 LYS 98 9.712 10.738 10.738 674 2HZ LYS 98 HZ3 LYS 98 11.133 9.855 9.855 675 3HZ LYS 98 HZ2 LYS 98 10.845 11.292 11.292 676 HA PRO 99 HA PRO 99 15.394 12.990 12.990 677 1HB PRO 99 HB2 PRO 99 16.791 10.664 10.664 678 2HB PRO 99 HB1 PRO 99 16.698 11.479 11.479 679 1HG PRO 99 HG2 PRO 99 15.294 9.010 9.010 680 2HG PRO 99 HG1 PRO 99 15.789 9.473 9.473 681 1HD PRO 99 HD2 PRO 99 13.180 9.652 9.652 682 2HD PRO 99 HD1 PRO 99 13.782 10.487 10.487 683 H ALA 100 HN ALA 100 14.015 13.542 13.542 684 HA ALA 100 HA ALA 100 14.019 11.581 11.581 685 1HB ALA 100 HB2 ALA 100 12.353 13.677 13.677 686 2HB ALA 100 HB1 ALA 100 13.349 14.370 14.370 687 3HB ALA 100 HB3 ALA 100 12.439 12.894 12.894 Start of MODEL 9 1 1H ALA 1 HT2 ALA 1 -18.013 -7.939 -7.939 2 2H ALA 1 HT1 ALA 1 -19.243 -8.703 -8.703 3 3H ALA 1 HT3 ALA 1 -18.504 -9.515 -9.515 4 HA ALA 1 HA ALA 1 -17.550 -10.445 -10.445 5 1HB ALA 1 HB2 ALA 1 -18.332 -8.193 -8.193 6 2HB ALA 1 HB1 ALA 1 -16.618 -7.824 -7.824 7 3HB ALA 1 HB3 ALA 1 -17.115 -9.279 -9.279 8 H ASP 2 HN ASP 2 -15.701 -11.266 -11.266 9 HA ASP 2 HA ASP 2 -13.664 -11.384 -11.384 10 1HB ASP 2 HB2 ASP 2 -12.884 -10.637 -10.637 11 2HB ASP 2 HB1 ASP 2 -13.264 -8.969 -8.969 12 HA PRO 3 HA PRO 3 -14.758 -7.775 -7.775 13 1HB PRO 3 HB2 PRO 3 -16.347 -9.114 -9.114 14 2HB PRO 3 HB1 PRO 3 -17.001 -8.268 -8.268 15 1HG PRO 3 HG2 PRO 3 -16.662 -11.201 -11.201 16 2HG PRO 3 HG1 PRO 3 -17.840 -10.347 -10.347 17 1HD PRO 3 HD2 PRO 3 -15.507 -11.645 -11.645 18 2HD PRO 3 HD1 PRO 3 -16.501 -10.489 -10.489 19 H GLU 4 HN GLU 4 -13.258 -10.723 -10.723 20 HA GLU 4 HA GLU 4 -11.946 -10.299 -10.299 21 1HB GLU 4 HB2 GLU 4 -13.871 -12.257 -12.257 22 2HB GLU 4 HB1 GLU 4 -12.318 -13.094 -13.094 23 1HG GLU 4 HG2 GLU 4 -11.943 -11.633 -11.633 24 2HG GLU 4 HG1 GLU 4 -13.706 -11.638 -11.638 25 H LYS 5 HN LYS 5 -11.424 -10.687 -10.687 26 HA LYS 5 HA LYS 5 -8.757 -11.887 -11.887 27 1HB LYS 5 HB2 LYS 5 -10.437 -12.539 -12.539 28 2HB LYS 5 HB1 LYS 5 -8.884 -13.248 -13.248 29 1HG LYS 5 HG2 LYS 5 -10.730 -13.520 -13.520 30 2HG LYS 5 HG1 LYS 5 -11.458 -14.171 -14.171 31 1HD LYS 5 HD2 LYS 5 -10.200 -15.948 -15.948 32 2HD LYS 5 HD1 LYS 5 -9.330 -15.457 -15.457 33 1HE LYS 5 HE2 LYS 5 -8.079 -13.819 -13.819 34 2HE LYS 5 HE1 LYS 5 -8.657 -14.903 -14.903 35 1HZ LYS 5 HZ3 LYS 5 -7.583 -16.344 -16.344 36 2HZ LYS 5 HZ2 LYS 5 -6.440 -15.261 -15.261 37 3HZ LYS 5 HZ1 LYS 5 -7.165 -16.425 -16.425 38 H SER 6 HN SER 6 -9.376 -9.189 -9.189 39 HA SER 6 HA SER 6 -8.339 -8.428 -8.428 40 1HB SER 6 HB2 SER 6 -9.647 -6.504 -6.504 41 2HB SER 6 HB1 SER 6 -9.518 -6.411 -6.411 42 HG SER 6 HG SER 6 -11.341 -7.728 -7.728 43 H TYR 7 HN TYR 7 -6.183 -8.021 -8.021 44 HA TYR 7 HA TYR 7 -5.235 -6.382 -6.382 45 1HB TYR 7 HB2 TYR 7 -3.162 -7.837 -7.837 46 2HB TYR 7 HB1 TYR 7 -4.639 -8.623 -8.623 47 HD1 TYR 7 HD2 TYR 7 -6.057 -9.799 -9.799 48 HD2 TYR 7 HD1 TYR 7 -1.847 -8.972 -8.972 49 HE1 TYR 7 HE2 TYR 7 -5.790 -11.551 -11.551 50 HE2 TYR 7 HE1 TYR 7 -1.578 -10.726 -10.726 51 HH TYR 7 HH TYR 7 -2.944 -11.877 -11.877 52 H ALA 8 HN ALA 8 -3.571 -4.954 -4.954 53 HA ALA 8 HA ALA 8 -2.620 -4.877 -4.877 54 1HB ALA 8 HB2 ALA 8 -3.935 -2.829 -2.829 55 2HB ALA 8 HB1 ALA 8 -2.359 -2.292 -2.292 56 3HB ALA 8 HB3 ALA 8 -3.584 -2.829 -2.829 57 H GLU 9 HN GLU 9 -0.432 -5.268 -5.268 58 HA GLU 9 HA GLU 9 1.203 -4.096 -4.096 59 1HB GLU 9 HB2 GLU 9 2.539 -6.255 -6.255 60 2HB GLU 9 HB1 GLU 9 0.914 -6.378 -6.378 61 1HG GLU 9 HG2 GLU 9 0.078 -7.505 -7.505 62 2HG GLU 9 HG1 GLU 9 1.419 -6.977 -6.977 63 H GLY 10 HN GLY 10 3.235 -3.420 -3.420 64 1HA GLY 10 HA2 GLY 10 4.371 -4.232 -4.232 65 2HA GLY 10 HA1 GLY 10 3.735 -2.594 -2.594 66 HA PRO 11 HA PRO 11 8.026 -2.513 -2.513 67 1HB PRO 11 HB2 PRO 11 9.310 -1.465 -1.465 68 2HB PRO 11 HB1 PRO 11 9.197 -3.205 -3.205 69 1HG PRO 11 HG2 PRO 11 7.726 -1.567 -1.567 70 2HG PRO 11 HG1 PRO 11 8.130 -3.291 -3.291 71 1HD PRO 11 HD2 PRO 11 5.602 -2.195 -2.195 72 2HD PRO 11 HD1 PRO 11 6.115 -3.873 -3.873 73 H GLY 12 HN GLY 12 5.550 -0.649 -0.649 74 1HA GLY 12 HA2 GLY 12 6.929 1.944 1.944 75 2HA GLY 12 HA1 GLY 12 5.464 1.768 1.768 76 H LEU 13 HN LEU 13 5.666 3.460 3.460 77 HA LEU 13 HA LEU 13 4.053 3.997 3.997 78 1HB LEU 13 HB2 LEU 13 2.171 2.799 2.799 79 2HB LEU 13 HB1 LEU 13 2.814 1.951 1.951 80 HG LEU 13 HG LEU 13 3.867 0.670 0.670 81 1HD1 LEU 13 HD13 LEU 13 1.771 1.927 1.927 82 2HD1 LEU 13 HD12 LEU 13 0.878 0.666 0.666 83 3HD1 LEU 13 HD11 LEU 13 2.036 0.231 0.231 84 1HD2 LEU 13 HD23 LEU 13 2.357 0.057 0.057 85 2HD2 LEU 13 HD22 LEU 13 3.488 -0.959 -0.959 86 3HD2 LEU 13 HD21 LEU 13 1.792 -0.895 -0.895 87 H ASP 14 HN ASP 14 6.584 1.917 1.917 88 HA ASP 14 HA ASP 14 6.491 1.053 1.053 89 1HB ASP 14 HB2 ASP 14 8.984 1.654 1.654 90 2HB ASP 14 HB1 ASP 14 8.761 0.448 0.448 91 H GLY 15 HN GLY 15 7.064 3.989 3.989 92 1HA GLY 15 HA2 GLY 15 7.369 6.153 6.153 93 2HA GLY 15 HA1 GLY 15 7.499 5.402 5.402 94 H GLY 16 HN GLY 16 9.318 6.107 6.107 95 1HA GLY 16 HA2 GLY 16 11.629 6.334 6.334 96 2HA GLY 16 HA1 GLY 16 11.856 5.204 5.204 97 H GLU 17 HN GLU 17 11.515 6.232 6.232 98 HA GLU 17 HA GLU 17 12.677 8.986 8.986 99 1HB GLU 17 HB2 GLU 17 13.280 6.637 6.637 100 2HB GLU 17 HB1 GLU 17 13.678 8.264 8.264 101 1HG GLU 17 HG2 GLU 17 15.471 8.335 8.335 102 2HG GLU 17 HG1 GLU 17 14.500 7.808 7.808 103 H CYS 18 HN CYS 18 11.945 10.484 10.484 104 HA CYS 18 HA CYS 18 9.368 9.954 9.954 105 1HB CYS 18 HB2 CYS 18 10.909 12.424 12.424 106 2HB CYS 18 HB1 CYS 18 9.871 12.487 12.487 107 HG CYS 18 HG CYS 18 8.049 11.413 11.413 108 H PHE 19 HN PHE 19 12.714 10.197 10.197 109 HA PHE 19 HA PHE 19 12.128 10.806 10.806 110 1HB PHE 19 HB2 PHE 19 14.675 10.435 10.435 111 2HB PHE 19 HB1 PHE 19 14.680 10.515 10.515 112 HD1 PHE 19 HD2 PHE 19 12.957 12.380 12.380 113 HD2 PHE 19 HD1 PHE 19 14.974 12.485 12.485 114 HE1 PHE 19 HE2 PHE 19 12.603 14.827 14.827 115 HE2 PHE 19 HE1 PHE 19 14.611 14.936 14.936 116 HZ PHE 19 HZ PHE 19 13.401 16.090 16.090 117 H GLN 20 HN GLN 20 11.573 8.182 8.182 118 HA GLN 20 HA GLN 20 12.761 6.308 6.308 119 1HB GLN 20 HB2 GLN 20 11.867 6.084 6.084 120 2HB GLN 20 HB1 GLN 20 11.250 4.795 4.795 121 1HG GLN 20 HG2 GLN 20 13.848 4.920 4.920 122 2HG GLN 20 HG1 GLN 20 14.020 5.349 5.349 123 1HE2 GLN 20 HE22 GLN 20 14.145 1.646 1.646 124 2HE2 GLN 20 HE21 GLN 20 15.120 2.930 2.930 125 HA PRO 21 HA PRO 21 8.912 6.402 6.402 126 1HB PRO 21 HB2 PRO 21 8.963 3.905 3.905 127 2HB PRO 21 HB1 PRO 21 9.891 5.296 5.296 128 1HG PRO 21 HG2 PRO 21 10.844 2.922 2.922 129 2HG PRO 21 HG1 PRO 21 11.717 3.918 3.918 130 1HD PRO 21 HD2 PRO 21 12.009 4.113 4.113 131 2HD PRO 21 HD1 PRO 21 12.465 5.379 5.379 132 H SER 22 HN SER 22 6.840 6.041 6.041 133 HA SER 22 HA SER 22 6.541 3.833 3.833 134 1HB SER 22 HB2 SER 22 5.873 6.497 6.497 135 2HB SER 22 HB1 SER 22 4.349 5.701 5.701 136 HG SER 22 HG SER 22 5.659 5.825 5.825 137 H LYS 23 HN LYS 23 5.772 2.007 2.007 138 HA LYS 23 HA LYS 23 3.310 2.300 2.300 139 1HB LYS 23 HB2 LYS 23 5.552 0.648 0.648 140 2HB LYS 23 HB1 LYS 23 4.146 1.307 1.307 141 1HG LYS 23 HG2 LYS 23 5.106 3.622 3.622 142 2HG LYS 23 HG1 LYS 23 6.592 2.800 2.800 143 1HD LYS 23 HD2 LYS 23 5.243 2.364 2.364 144 2HD LYS 23 HD1 LYS 23 6.506 3.570 3.570 145 1HE LYS 23 HE2 LYS 23 7.961 1.700 1.700 146 2HE LYS 23 HE1 LYS 23 6.733 0.569 0.569 147 1HZ LYS 23 HZ2 LYS 23 6.985 1.657 1.657 148 2HZ LYS 23 HZ1 LYS 23 8.360 2.446 2.446 149 3HZ LYS 23 HZ3 LYS 23 8.326 0.753 0.753 150 H PHE 24 HN PHE 24 1.965 0.601 0.601 151 HA PHE 24 HA PHE 24 3.075 -1.951 -1.951 152 1HB PHE 24 HB2 PHE 24 0.625 -1.496 -1.496 153 2HB PHE 24 HB1 PHE 24 2.236 -1.734 -1.734 154 HD1 PHE 24 HD1 PHE 24 3.828 0.358 0.358 155 HD2 PHE 24 HD2 PHE 24 -0.457 0.505 0.505 156 HE1 PHE 24 HE1 PHE 24 3.930 2.749 2.749 157 HE2 PHE 24 HE2 PHE 24 -0.356 2.903 2.903 158 HZ PHE 24 HZ PHE 24 1.849 4.012 4.012 159 H LYS 25 HN LYS 25 1.543 -3.753 -3.753 160 HA LYS 25 HA LYS 25 -0.479 -3.226 -3.226 161 1HB LYS 25 HB2 LYS 25 0.989 -5.821 -5.821 162 2HB LYS 25 HB1 LYS 25 -0.071 -5.496 -5.496 163 1HG LYS 25 HG2 LYS 25 1.770 -3.424 -3.424 164 2HG LYS 25 HG1 LYS 25 2.749 -4.808 -4.808 165 1HD LYS 25 HD2 LYS 25 0.760 -5.090 -5.090 166 2HD LYS 25 HD1 LYS 25 2.345 -4.379 -4.379 167 1HE LYS 25 HE2 LYS 25 3.187 -6.460 -6.460 168 2HE LYS 25 HE1 LYS 25 2.830 -6.672 -6.672 169 1HZ LYS 25 HZ3 LYS 25 0.512 -6.946 -6.946 170 2HZ LYS 25 HZ2 LYS 25 1.720 -8.076 -8.076 171 3HZ LYS 25 HZ1 LYS 25 1.116 -7.989 -7.989 172 H ILE 26 HN ILE 26 -2.557 -4.143 -4.143 173 HA ILE 26 HA ILE 26 -2.984 -5.283 -5.283 174 HB ILE 26 HB ILE 26 -5.118 -3.905 -3.905 175 1HG1 ILE 26 HG12 ILE 26 -2.900 -2.678 -2.678 176 2HG1 ILE 26 HG11 ILE 26 -3.391 -2.256 -2.256 177 1HG2 ILE 26 HG22 ILE 26 -4.568 -4.339 -4.339 178 2HG2 ILE 26 HG21 ILE 26 -5.932 -3.417 -3.417 179 3HG2 ILE 26 HG23 ILE 26 -5.801 -5.144 -5.144 180 1HD1 ILE 26 HD11 ILE 26 -5.164 -1.909 -1.909 181 2HD1 ILE 26 HD13 ILE 26 -4.179 -0.621 -0.621 182 3HD1 ILE 26 HD12 ILE 26 -5.486 -1.340 -1.340 183 H HIS 27 HN HIS 27 -4.648 -6.872 -6.872 184 HA HIS 27 HA HIS 27 -5.610 -8.150 -8.150 185 1HB HIS 27 HB2 HIS 27 -4.416 -9.886 -9.886 186 2HB HIS 27 HB1 HIS 27 -4.680 -10.252 -10.252 187 HD1 HIS 27 HD1 HIS 27 -2.698 -7.623 -7.623 188 HD2 HIS 27 HD2 HIS 27 -2.292 -10.147 -10.147 189 HE1 HIS 27 HE1 HIS 27 -0.388 -7.218 -7.218 190 H ALA 28 HN ALA 28 -7.741 -8.522 -8.522 191 HA ALA 28 HA ALA 28 -8.796 -8.844 -8.844 192 1HB ALA 28 HB1 ALA 28 -9.695 -7.343 -7.343 193 2HB ALA 28 HB3 ALA 28 -10.922 -8.525 -8.525 194 3HB ALA 28 HB2 ALA 28 -10.353 -7.358 -7.358 195 H VAL 29 HN VAL 29 -9.723 -10.822 -10.822 196 HA VAL 29 HA VAL 29 -10.278 -12.738 -12.738 197 HB VAL 29 HB VAL 29 -8.974 -13.128 -13.128 198 1HG1 VAL 29 HG13 VAL 29 -10.683 -15.220 -15.220 199 2HG1 VAL 29 HG12 VAL 29 -9.555 -15.561 -15.561 200 3HG1 VAL 29 HG11 VAL 29 -10.968 -14.545 -14.545 201 1HG2 VAL 29 HG23 VAL 29 -8.079 -13.188 -13.188 202 2HG2 VAL 29 HG22 VAL 29 -7.371 -14.180 -14.180 203 3HG2 VAL 29 HG21 VAL 29 -8.556 -14.878 -14.878 204 H ASP 30 HN ASP 30 -12.332 -13.370 -13.370 205 HA ASP 30 HA ASP 30 -14.228 -12.519 -12.519 206 1HB ASP 30 HB2 ASP 30 -15.796 -12.276 -12.276 207 2HB ASP 30 HB1 ASP 30 -14.339 -12.031 -12.031 208 HA PRO 31 HA PRO 31 -15.361 -16.595 -16.595 209 1HB PRO 31 HB2 PRO 31 -18.077 -16.782 -16.782 210 2HB PRO 31 HB1 PRO 31 -17.314 -15.850 -15.850 211 1HG PRO 31 HG2 PRO 31 -18.635 -14.871 -14.871 212 2HG PRO 31 HG1 PRO 31 -18.392 -14.040 -14.040 213 1HD PRO 31 HD2 PRO 31 -16.883 -13.667 -13.667 214 2HD PRO 31 HD1 PRO 31 -16.481 -13.032 -13.032 215 H ASP 32 HN ASP 32 -15.076 -16.093 -16.093 216 HA ASP 32 HA ASP 32 -16.301 -18.748 -18.748 217 1HB ASP 32 HB2 ASP 32 -16.879 -16.453 -16.453 218 2HB ASP 32 HB1 ASP 32 -15.415 -16.870 -16.870 219 H GLY 33 HN GLY 33 -13.453 -17.502 -17.502 220 1HA GLY 33 HA2 GLY 33 -11.263 -18.375 -18.375 221 2HA GLY 33 HA1 GLY 33 -11.894 -19.632 -19.632 222 H VAL 34 HN VAL 34 -12.303 -16.161 -16.161 223 HA VAL 34 HA VAL 34 -10.458 -16.048 -16.048 224 HB VAL 34 HB VAL 34 -13.243 -15.019 -15.019 225 1HG1 VAL 34 HG11 VAL 34 -10.873 -15.366 -15.366 226 2HG1 VAL 34 HG13 VAL 34 -12.059 -16.495 -16.495 227 3HG1 VAL 34 HG12 VAL 34 -12.435 -14.774 -14.774 228 1HG2 VAL 34 HG21 VAL 34 -13.556 -17.322 -17.322 229 2HG2 VAL 34 HG23 VAL 34 -13.988 -17.210 -17.210 230 3HG2 VAL 34 HG22 VAL 34 -12.450 -17.931 -17.931 231 H HIS 35 HN HIS 35 -11.455 -13.574 -13.574 232 HA HIS 35 HA HIS 35 -10.871 -11.823 -11.823 233 1HB HIS 35 HB2 HIS 35 -10.204 -11.705 -11.705 234 2HB HIS 35 HB1 HIS 35 -10.539 -10.173 -10.173 235 HD1 HIS 35 HD1 HIS 35 -8.159 -13.088 -13.088 236 HD2 HIS 35 HD2 HIS 35 -8.597 -9.377 -9.377 237 HE1 HIS 35 HE1 HIS 35 -5.988 -12.638 -12.638 238 H ARG 36 HN ARG 36 -13.314 -12.403 -12.403 239 HA ARG 36 HA ARG 36 -15.597 -11.844 -11.844 240 1HB ARG 36 HB2 ARG 36 -15.584 -9.106 -9.106 241 2HB ARG 36 HB1 ARG 36 -15.439 -9.924 -9.924 242 1HG ARG 36 HG2 ARG 36 -12.998 -9.885 -9.885 243 2HG ARG 36 HG1 ARG 36 -13.110 -9.125 -9.125 244 1HD ARG 36 HD2 ARG 36 -14.337 -7.220 -7.220 245 2HD ARG 36 HD1 ARG 36 -13.973 -7.948 -7.948 246 HE ARG 36 HE ARG 36 -12.029 -6.593 -6.593 247 1HH1 ARG 36 HH11 ARG 36 -11.298 -9.446 -9.446 248 2HH1 ARG 36 HH12 ARG 36 -10.354 -8.905 -8.905 249 1HH2 ARG 36 HH21 ARG 36 -11.287 -5.599 -5.599 250 2HH2 ARG 36 HH22 ARG 36 -10.346 -6.742 -6.742 251 H THR 37 HN THR 37 -15.127 -12.930 -12.930 252 HA THR 37 HA THR 37 -15.290 -12.799 -12.799 253 HB THR 37 HB THR 37 -17.570 -12.861 -12.861 254 HG1 THR 37 HG1 THR 37 -18.432 -10.692 -10.692 255 1HG2 THR 37 HG22 THR 37 -17.521 -10.447 -10.447 256 2HG2 THR 37 HG21 THR 37 -18.950 -11.392 -11.392 257 3HG2 THR 37 HG23 THR 37 -17.649 -12.127 -12.127 258 H ASP 38 HN ASP 38 -13.262 -11.520 -11.520 259 HA ASP 38 HA ASP 38 -12.823 -8.840 -8.840 260 1HB ASP 38 HB2 ASP 38 -11.756 -10.950 -10.950 261 2HB ASP 38 HB1 ASP 38 -11.862 -9.478 -9.478 262 H GLY 39 HN GLY 39 -12.967 -7.023 -7.023 263 1HA GLY 39 HA2 GLY 39 -13.960 -6.110 -6.110 264 2HA GLY 39 HA1 GLY 39 -15.306 -7.223 -7.223 265 H GLY 40 HN GLY 40 -15.998 -6.858 -6.858 266 1HA GLY 40 HA2 GLY 40 -16.439 -3.912 -3.912 267 2HA GLY 40 HA1 GLY 40 -17.787 -5.040 -5.040 268 H ASP 41 HN ASP 41 -14.478 -4.618 -4.618 269 HA ASP 41 HA ASP 41 -15.401 -5.830 -5.830 270 1HB ASP 41 HB2 ASP 41 -12.672 -4.633 -4.633 271 2HB ASP 41 HB1 ASP 41 -13.115 -5.965 -5.965 272 H GLY 42 HN GLY 42 -16.053 -4.603 -4.603 273 1HA GLY 42 HA2 GLY 42 -16.190 -1.715 -1.715 274 2HA GLY 42 HA1 GLY 42 -16.565 -2.656 -2.656 275 H PHE 43 HN PHE 43 -13.750 -1.715 -1.715 276 HA PHE 43 HA PHE 43 -12.124 -1.766 -1.766 277 1HB PHE 43 HB2 PHE 43 -11.679 -2.936 -2.936 278 2HB PHE 43 HB1 PHE 43 -10.684 -1.482 -1.482 279 HD1 PHE 43 HD2 PHE 43 -11.326 -4.612 -4.612 280 HD2 PHE 43 HD1 PHE 43 -8.779 -1.181 -1.181 281 HE1 PHE 43 HE2 PHE 43 -9.652 -5.698 -5.698 282 HE2 PHE 43 HE1 PHE 43 -7.099 -2.277 -2.277 283 HZ PHE 43 HZ PHE 43 -7.543 -4.534 -4.534 284 H VAL 44 HN VAL 44 -11.393 0.086 0.086 285 HA VAL 44 HA VAL 44 -10.908 2.390 2.390 286 HB VAL 44 HB VAL 44 -12.906 3.271 3.271 287 1HG1 VAL 44 HG11 VAL 44 -12.661 1.154 1.154 288 2HG1 VAL 44 HG13 VAL 44 -13.458 2.607 2.607 289 3HG1 VAL 44 HG12 VAL 44 -14.096 1.774 1.774 290 1HG2 VAL 44 HG22 VAL 44 -11.065 4.651 4.651 291 2HG2 VAL 44 HG21 VAL 44 -12.605 4.759 4.759 292 3HG2 VAL 44 HG23 VAL 44 -11.311 3.751 3.751 293 H VAL 45 HN VAL 45 -8.785 2.769 2.769 294 HA VAL 45 HA VAL 45 -7.760 2.553 2.553 295 HB VAL 45 HB VAL 45 -6.132 2.208 2.208 296 1HG1 VAL 45 HG11 VAL 45 -4.994 2.907 2.907 297 2HG1 VAL 45 HG13 VAL 45 -5.554 1.394 1.394 298 3HG1 VAL 45 HG12 VAL 45 -4.433 1.366 1.366 299 1HG2 VAL 45 HG23 VAL 45 -8.058 0.438 0.438 300 2HG2 VAL 45 HG22 VAL 45 -6.754 0.044 0.044 301 3HG2 VAL 45 HG21 VAL 45 -6.525 -0.179 -0.179 302 H THR 46 HN THR 46 -6.280 4.205 4.205 303 HA THR 46 HA THR 46 -5.704 6.372 6.372 304 HB THR 46 HB THR 46 -6.987 7.792 7.792 305 HG1 THR 46 HG1 THR 46 -8.843 6.797 6.797 306 1HG2 THR 46 HG21 THR 46 -7.140 7.390 7.390 307 2HG2 THR 46 HG23 THR 46 -8.759 7.583 7.583 308 3HG2 THR 46 HG22 THR 46 -7.539 8.829 8.829 309 H ILE 47 HN ILE 47 -3.827 7.235 7.235 310 HA ILE 47 HA ILE 47 -2.992 7.122 7.122 311 HB ILE 47 HB ILE 47 -1.412 6.679 6.679 312 1HG1 ILE 47 HG12 ILE 47 -1.984 5.223 5.223 313 2HG1 ILE 47 HG11 ILE 47 -1.623 4.588 4.588 314 1HG2 ILE 47 HG21 ILE 47 -0.313 7.693 7.693 315 2HG2 ILE 47 HG23 ILE 47 0.670 7.112 7.112 316 3HG2 ILE 47 HG22 ILE 47 -0.297 8.564 8.564 317 1HD1 ILE 47 HD12 ILE 47 0.778 5.467 5.467 318 2HD1 ILE 47 HD11 ILE 47 0.315 5.570 5.570 319 3HD1 ILE 47 HD13 ILE 47 0.296 4.016 4.016 320 H GLU 48 HN GLU 48 -1.698 8.975 8.975 321 HA GLU 48 HA GLU 48 -1.185 11.106 11.106 322 1HB GLU 48 HB2 GLU 48 -2.899 12.668 12.668 323 2HB GLU 48 HB1 GLU 48 -3.339 11.894 11.894 324 1HG GLU 48 HG2 GLU 48 -4.660 10.311 10.311 325 2HG GLU 48 HG1 GLU 48 -3.680 10.292 10.292 326 H GLY 49 HN GLY 49 -0.123 12.874 12.874 327 1HA GLY 49 HA2 GLY 49 0.285 12.924 12.924 328 2HA GLY 49 HA1 GLY 49 1.709 12.446 12.446 329 HA PRO 50 HA PRO 50 1.517 17.077 17.077 330 1HB PRO 50 HB2 PRO 50 4.011 17.428 17.428 331 2HB PRO 50 HB1 PRO 50 2.526 17.285 17.285 332 1HG PRO 50 HG2 PRO 50 4.693 15.282 15.282 333 2HG PRO 50 HG1 PRO 50 3.579 15.458 15.458 334 1HD PRO 50 HD2 PRO 50 3.358 13.550 13.550 335 2HD PRO 50 HD1 PRO 50 2.085 13.971 13.971 336 H ALA 51 HN ALA 51 1.746 16.208 16.208 337 HA ALA 51 HA ALA 51 4.256 17.285 17.285 338 1HB ALA 51 HB3 ALA 51 3.944 14.477 14.477 339 2HB ALA 51 HB2 ALA 51 3.852 14.784 14.784 340 3HB ALA 51 HB1 ALA 51 5.261 15.317 15.317 341 HA PRO 52 HA PRO 52 1.720 18.167 18.167 342 1HB PRO 52 HB2 PRO 52 3.271 17.486 17.486 343 2HB PRO 52 HB1 PRO 52 3.569 18.907 18.907 344 1HG PRO 52 HG2 PRO 52 5.050 16.319 16.319 345 2HG PRO 52 HG1 PRO 52 5.627 17.926 17.926 346 1HD PRO 52 HD2 PRO 52 4.926 15.839 15.839 347 2HD PRO 52 HD1 PRO 52 5.166 17.542 17.542 348 H VAL 53 HN VAL 53 3.336 15.064 15.064 349 HA VAL 53 HA VAL 53 0.848 14.132 14.132 350 HB VAL 53 HB VAL 53 3.602 12.908 12.908 351 1HG1 VAL 53 HG13 VAL 53 1.039 11.680 11.680 352 2HG1 VAL 53 HG12 VAL 53 2.183 11.518 11.518 353 3HG1 VAL 53 HG11 VAL 53 2.606 10.916 10.916 354 1HG2 VAL 53 HG22 VAL 53 2.478 14.777 14.777 355 2HG2 VAL 53 HG21 VAL 53 4.053 13.988 13.988 356 3HG2 VAL 53 HG23 VAL 53 2.643 13.255 13.255 357 H ASP 54 HN ASP 54 -0.330 14.147 14.147 358 HA ASP 54 HA ASP 54 0.544 11.998 11.998 359 1HB ASP 54 HB2 ASP 54 -1.656 14.066 14.066 360 2HB ASP 54 HB1 ASP 54 -1.306 12.851 12.851 361 HA PRO 55 HA PRO 55 -3.736 10.325 10.325 362 1HB PRO 55 HB2 PRO 55 -5.039 11.566 11.566 363 2HB PRO 55 HB1 PRO 55 -5.223 12.050 12.050 364 1HG PRO 55 HG2 PRO 55 -3.754 13.425 13.425 365 2HG PRO 55 HG1 PRO 55 -4.432 14.100 14.100 366 1HD PRO 55 HD2 PRO 55 -1.692 13.471 13.471 367 2HD PRO 55 HD1 PRO 55 -2.411 13.961 13.961 368 H VAL 56 HN VAL 56 -2.620 8.504 8.504 369 HA VAL 56 HA VAL 56 -2.564 8.556 8.556 370 HB VAL 56 HB VAL 56 -0.347 7.375 7.375 371 1HG1 VAL 56 HG11 VAL 56 -0.943 7.918 7.918 372 2HG1 VAL 56 HG13 VAL 56 0.739 8.024 8.024 373 3HG1 VAL 56 HG12 VAL 56 -0.158 6.521 6.521 374 1HG2 VAL 56 HG23 VAL 56 -0.473 9.803 9.803 375 2HG2 VAL 56 HG22 VAL 56 0.950 9.432 9.432 376 3HG2 VAL 56 HG21 VAL 56 -0.471 10.154 10.154 377 H MET 57 HN MET 57 -4.346 7.039 7.039 378 HA MET 57 HA MET 57 -3.452 4.320 4.320 379 1HB MET 57 HB2 MET 57 -5.463 3.779 3.779 380 2HB MET 57 HB1 MET 57 -4.848 5.277 5.277 381 1HG MET 57 HG2 MET 57 -6.925 6.100 6.100 382 2HG MET 57 HG1 MET 57 -6.431 6.192 6.192 383 1HE MET 57 HE3 MET 57 -8.339 6.323 6.323 384 2HE MET 57 HE2 MET 57 -8.855 4.900 4.900 385 3HE MET 57 HE1 MET 57 -9.813 5.462 5.462 386 H VAL 58 HN VAL 58 -4.033 2.773 2.773 387 HA VAL 58 HA VAL 58 -6.081 3.523 3.523 388 HB VAL 58 HB VAL 58 -3.901 1.838 1.838 389 1HG1 VAL 58 HG13 VAL 58 -5.929 3.176 3.176 390 2HG1 VAL 58 HG12 VAL 58 -4.716 4.454 4.454 391 3HG1 VAL 58 HG11 VAL 58 -4.416 2.909 2.909 392 1HG2 VAL 58 HG22 VAL 58 -2.678 3.456 3.456 393 2HG2 VAL 58 HG21 VAL 58 -2.245 3.593 3.593 394 3HG2 VAL 58 HG23 VAL 58 -3.338 4.769 4.769 395 H ASP 59 HN ASP 59 -7.116 1.691 1.691 396 HA ASP 59 HA ASP 59 -6.872 -0.858 -0.858 397 1HB ASP 59 HB2 ASP 59 -8.951 0.115 0.115 398 2HB ASP 59 HB1 ASP 59 -9.286 0.669 0.669 399 H ASN 60 HN ASN 60 -6.276 -2.542 -2.542 400 HA ASN 60 HA ASN 60 -6.314 -2.092 -2.092 401 1HB ASN 60 HB2 ASN 60 -4.618 -3.472 -3.472 402 2HB ASN 60 HB1 ASN 60 -5.452 -4.742 -4.742 403 1HD2 ASN 60 HD22 ASN 60 -4.084 -3.734 -3.734 404 2HD2 ASN 60 HD21 ASN 60 -5.442 -4.463 -4.463 405 H GLY 61 HN GLY 61 -8.214 -3.899 -3.899 406 1HA GLY 61 HA2 GLY 61 -10.355 -4.816 -4.816 407 2HA GLY 61 HA1 GLY 61 -9.963 -4.694 -4.694 408 H ASP 62 HN ASP 62 -7.356 -6.072 -6.072 409 HA ASP 62 HA ASP 62 -8.215 -8.779 -8.779 410 1HB ASP 62 HB2 ASP 62 -5.867 -9.339 -9.339 411 2HB ASP 62 HB1 ASP 62 -6.060 -7.776 -7.776 412 H GLY 63 HN GLY 63 -8.869 -7.336 -7.336 413 1HA GLY 63 HA2 GLY 63 -9.354 -8.284 -8.284 414 2HA GLY 63 HA1 GLY 63 -8.313 -9.648 -9.648 415 H THR 64 HN THR 64 -6.350 -7.357 -7.357 416 HA THR 64 HA THR 64 -5.298 -6.859 -6.859 417 HB THR 64 HB THR 64 -3.036 -6.986 -6.986 418 HG1 THR 64 HG1 THR 64 -2.721 -7.128 -7.128 419 1HG2 THR 64 HG22 THR 64 -4.963 -9.234 -9.234 420 2HG2 THR 64 HG21 THR 64 -3.403 -9.463 -9.463 421 3HG2 THR 64 HG23 THR 64 -3.473 -9.117 -9.117 422 H TYR 65 HN TYR 65 -4.766 -4.706 -4.706 423 HA TYR 65 HA TYR 65 -4.950 -2.799 -2.799 424 1HB TYR 65 HB2 TYR 65 -5.871 -2.288 -2.288 425 2HB TYR 65 HB1 TYR 65 -6.110 -1.242 -1.242 426 HD1 TYR 65 HD2 TYR 65 -7.162 -2.569 -2.569 427 HD2 TYR 65 HD1 TYR 65 -7.676 -3.650 -3.650 428 HE1 TYR 65 HE2 TYR 65 -9.200 -3.794 -3.794 429 HE2 TYR 65 HE1 TYR 65 -9.707 -4.883 -4.883 430 HH TYR 65 HH TYR 65 -11.339 -4.508 -4.508 431 H ASP 66 HN ASP 66 -3.635 -0.822 -0.822 432 HA ASP 66 HA ASP 66 -1.426 -1.256 -1.256 433 1HB ASP 66 HB2 ASP 66 -0.616 -1.889 -1.889 434 2HB ASP 66 HB1 ASP 66 -1.191 -0.366 -0.366 435 H VAL 67 HN VAL 67 -0.466 0.620 0.620 436 HA VAL 67 HA VAL 67 -1.711 3.202 3.202 437 HB VAL 67 HB VAL 67 -2.277 3.744 3.744 438 1HG1 VAL 67 HG12 VAL 67 -3.439 1.613 1.613 439 2HG1 VAL 67 HG11 VAL 67 -2.895 0.853 0.853 440 3HG1 VAL 67 HG13 VAL 67 -3.984 2.238 2.238 441 1HG2 VAL 67 HG21 VAL 67 -0.147 2.877 2.877 442 2HG2 VAL 67 HG23 VAL 67 -1.573 2.505 2.505 443 3HG2 VAL 67 HG22 VAL 67 -0.849 1.259 1.259 444 H GLU 68 HN GLU 68 -0.195 5.016 5.016 445 HA GLU 68 HA GLU 68 2.436 4.368 4.368 446 1HB GLU 68 HB2 GLU 68 2.550 5.510 5.510 447 2HB GLU 68 HB1 GLU 68 3.712 4.479 4.479 448 1HG GLU 68 HG2 GLU 68 2.755 3.076 3.076 449 2HG GLU 68 HG1 GLU 68 1.905 2.631 2.631 450 H PHE 69 HN PHE 69 3.097 6.143 6.143 451 HA PHE 69 HA PHE 69 2.609 8.806 8.806 452 1HB PHE 69 HB2 PHE 69 2.045 9.859 9.859 453 2HB PHE 69 HB1 PHE 69 0.984 8.463 8.463 454 HD1 PHE 69 HD1 PHE 69 2.153 6.196 6.196 455 HD2 PHE 69 HD2 PHE 69 3.051 10.204 10.204 456 HE1 PHE 69 HE1 PHE 69 3.014 5.346 5.346 457 HE2 PHE 69 HE2 PHE 69 3.913 9.350 9.350 458 HZ PHE 69 HZ PHE 69 3.873 6.900 6.900 459 H GLU 70 HN GLU 70 4.292 10.391 10.391 460 HA GLU 70 HA GLU 70 6.670 9.254 9.254 461 1HB GLU 70 HB2 GLU 70 7.142 8.633 8.633 462 2HB GLU 70 HB1 GLU 70 6.569 10.179 10.179 463 1HG GLU 70 HG2 GLU 70 8.481 11.318 11.318 464 2HG GLU 70 HG1 GLU 70 8.830 10.175 10.175 465 HA PRO 71 HA PRO 71 6.175 13.576 13.576 466 1HB PRO 71 HB2 PRO 71 7.511 13.239 13.239 467 2HB PRO 71 HB1 PRO 71 5.802 12.835 12.835 468 1HG PRO 71 HG2 PRO 71 8.155 11.013 11.013 469 2HG PRO 71 HG1 PRO 71 6.464 10.706 10.706 470 1HD PRO 71 HD2 PRO 71 7.761 9.833 9.833 471 2HD PRO 71 HD1 PRO 71 6.005 9.855 9.855 472 H LYS 72 HN LYS 72 8.228 14.731 14.731 473 HA LYS 72 HA LYS 72 10.754 14.395 14.395 474 1HB LYS 72 HB2 LYS 72 10.664 17.087 17.087 475 2HB LYS 72 HB1 LYS 72 10.078 16.125 16.125 476 1HG LYS 72 HG2 LYS 72 7.834 16.406 16.406 477 2HG LYS 72 HG1 LYS 72 8.219 16.751 16.751 478 1HD LYS 72 HD2 LYS 72 9.506 18.733 18.733 479 2HD LYS 72 HD1 LYS 72 7.835 18.609 18.609 480 1HE LYS 72 HE2 LYS 72 7.038 19.538 19.538 481 2HE LYS 72 HE1 LYS 72 8.053 18.511 18.511 482 1HZ LYS 72 HZ3 LYS 72 9.167 20.800 20.800 483 2HZ LYS 72 HZ2 LYS 72 8.497 20.994 20.994 484 3HZ LYS 72 HZ1 LYS 72 9.839 19.977 19.977 485 H GLU 73 HN GLU 73 9.352 16.684 16.684 486 HA GLU 73 HA GLU 73 11.926 16.593 16.593 487 1HB GLU 73 HB2 GLU 73 10.938 18.354 18.354 488 2HB GLU 73 HB1 GLU 73 10.676 18.727 18.727 489 1HG GLU 73 HG2 GLU 73 8.414 18.373 18.373 490 2HG GLU 73 HG1 GLU 73 8.570 17.100 17.100 491 H ALA 74 HN ALA 74 10.378 17.008 17.008 492 HA ALA 74 HA ALA 74 10.219 14.137 14.137 493 1HB ALA 74 HB2 ALA 74 11.445 15.705 15.705 494 2HB ALA 74 HB1 ALA 74 9.936 16.568 16.568 495 3HB ALA 74 HB3 ALA 74 10.115 14.896 14.896 496 H GLY 75 HN GLY 75 8.293 13.083 13.083 497 1HA GLY 75 HA2 GLY 75 5.841 14.565 14.565 498 2HA GLY 75 HA1 GLY 75 5.911 13.917 13.917 499 H ASP 76 HN ASP 76 3.999 13.117 13.117 500 HA ASP 76 HA ASP 76 4.835 10.296 10.296 501 1HB ASP 76 HB2 ASP 76 2.925 10.319 10.319 502 2HB ASP 76 HB1 ASP 76 4.206 11.457 11.457 503 H TYR 77 HN TYR 77 3.196 8.689 8.689 504 HA TYR 77 HA TYR 77 1.426 9.655 9.655 505 1HB TYR 77 HB2 TYR 77 2.226 6.793 6.793 506 2HB TYR 77 HB1 TYR 77 1.715 7.650 7.650 507 HD1 TYR 77 HD1 TYR 77 3.433 10.101 10.101 508 HD2 TYR 77 HD2 TYR 77 4.301 5.926 5.926 509 HE1 TYR 77 HE1 TYR 77 5.766 10.515 10.515 510 HE2 TYR 77 HE2 TYR 77 6.633 6.327 6.327 511 HH TYR 77 HH TYR 77 7.661 8.953 8.953 512 H VAL 78 HN VAL 78 -0.654 9.350 9.350 513 HA VAL 78 HA VAL 78 -1.655 7.524 7.524 514 HB VAL 78 HB VAL 78 -2.646 9.618 9.618 515 1HG1 VAL 78 HG12 VAL 78 -2.805 9.847 9.847 516 2HG1 VAL 78 HG11 VAL 78 -3.719 10.918 10.918 517 3HG1 VAL 78 HG13 VAL 78 -1.957 10.905 10.905 518 1HG2 VAL 78 HG23 VAL 78 -4.201 7.509 7.509 519 2HG2 VAL 78 HG22 VAL 78 -4.787 8.907 8.907 520 3HG2 VAL 78 HG21 VAL 78 -4.851 8.903 8.903 521 H ILE 79 HN ILE 79 -2.655 5.699 5.699 522 HA ILE 79 HA ILE 79 -2.963 5.630 5.630 523 HB ILE 79 HB ILE 79 -1.142 4.303 4.303 524 1HG1 ILE 79 HG12 ILE 79 -2.588 1.936 1.936 525 2HG1 ILE 79 HG11 ILE 79 -3.342 3.156 3.156 526 1HG2 ILE 79 HG23 ILE 79 -3.220 3.242 3.242 527 2HG2 ILE 79 HG22 ILE 79 -1.782 2.298 2.298 528 3HG2 ILE 79 HG21 ILE 79 -1.628 3.890 3.890 529 1HD1 ILE 79 HD11 ILE 79 -0.460 3.384 3.384 530 2HD1 ILE 79 HD13 ILE 79 -0.968 1.750 1.750 531 3HD1 ILE 79 HD12 ILE 79 -1.594 3.129 3.129 532 H ASN 80 HN ASN 80 -4.600 4.354 4.354 533 HA ASN 80 HA ASN 80 -6.870 3.612 3.612 534 1HB ASN 80 HB2 ASN 80 -7.327 5.511 5.511 535 2HB ASN 80 HB1 ASN 80 -8.414 5.104 5.104 536 1HD2 ASN 80 HD21 ASN 80 -5.239 6.681 6.681 537 2HD2 ASN 80 HD22 ASN 80 -5.362 7.750 7.750 538 H LEU 81 HN LEU 81 -7.354 1.638 1.638 539 HA LEU 81 HA LEU 81 -7.666 1.097 1.097 540 1HB LEU 81 HB2 LEU 81 -5.615 0.013 0.013 541 2HB LEU 81 HB1 LEU 81 -5.991 -0.389 -0.389 542 HG LEU 81 HG LEU 81 -5.958 -2.245 -2.245 543 1HD1 LEU 81 HD11 LEU 81 -7.442 -1.826 -1.826 544 2HD1 LEU 81 HD13 LEU 81 -8.280 -2.950 -2.950 545 3HD1 LEU 81 HD12 LEU 81 -6.615 -3.271 -3.271 546 1HD2 LEU 81 HD23 LEU 81 -7.809 -0.746 -0.746 547 2HD2 LEU 81 HD22 LEU 81 -7.781 -2.502 -2.502 548 3HD2 LEU 81 HD21 LEU 81 -8.869 -1.713 -1.713 549 H THR 82 HN THR 82 -9.735 0.556 0.556 550 HA THR 82 HA THR 82 -11.112 -0.896 -0.896 551 HB THR 82 HB THR 82 -13.158 0.442 0.442 552 HG1 THR 82 HG1 THR 82 -10.942 1.928 1.928 553 1HG2 THR 82 HG22 THR 82 -11.186 0.910 0.910 554 2HG2 THR 82 HG21 THR 82 -11.649 2.468 2.468 555 3HG2 THR 82 HG23 THR 82 -12.879 1.405 1.405 556 H LEU 83 HN LEU 83 -12.290 -2.633 -2.633 557 HA LEU 83 HA LEU 83 -13.171 -2.941 -2.941 558 1HB LEU 83 HB2 LEU 83 -10.999 -4.217 -4.217 559 2HB LEU 83 HB1 LEU 83 -11.823 -5.221 -5.221 560 HG LEU 83 HG LEU 83 -11.720 -6.037 -6.037 561 1HD1 LEU 83 HD11 LEU 83 -13.149 -6.904 -6.904 562 2HD1 LEU 83 HD13 LEU 83 -14.473 -6.003 -6.003 563 3HD1 LEU 83 HD12 LEU 83 -13.683 -7.296 -7.296 564 1HD2 LEU 83 HD23 LEU 83 -12.712 -3.705 -3.705 565 2HD2 LEU 83 HD22 LEU 83 -13.323 -5.159 -5.159 566 3HD2 LEU 83 HD21 LEU 83 -14.253 -4.400 -4.400 567 H ASP 84 HN ASP 84 -15.150 -2.308 -2.308 568 HA ASP 84 HA ASP 84 -17.204 -3.916 -3.916 569 1HB ASP 84 HB2 ASP 84 -15.461 -4.595 -4.595 570 2HB ASP 84 HB1 ASP 84 -17.215 -4.668 -4.668 571 H GLY 85 HN GLY 85 -15.343 -1.543 -1.543 572 1HA GLY 85 HA2 GLY 85 -16.752 0.628 0.628 573 2HA GLY 85 HA1 GLY 85 -17.831 -0.357 -0.357 574 H ASP 86 HN ASP 86 -14.724 -1.468 -1.468 575 HA ASP 86 HA ASP 86 -14.335 0.563 0.563 576 1HB ASP 86 HB2 ASP 86 -15.172 -2.118 -2.118 577 2HB ASP 86 HB1 ASP 86 -13.481 -2.050 -2.050 578 H ASN 87 HN ASN 87 -12.003 0.129 0.129 579 HA ASN 87 HA ASN 87 -10.184 -0.094 -0.094 580 1HB ASN 87 HB2 ASN 87 -9.243 0.706 0.706 581 2HB ASN 87 HB1 ASN 87 -8.707 1.281 1.281 582 1HD2 ASN 87 HD21 ASN 87 -10.667 2.073 2.073 583 2HD2 ASN 87 HD22 ASN 87 -11.558 3.325 3.325 584 H VAL 88 HN VAL 88 -8.350 -1.511 -1.511 585 HA VAL 88 HA VAL 88 -8.804 -3.998 -3.998 586 HB VAL 88 HB VAL 88 -6.679 -2.845 -2.845 587 1HG1 VAL 88 HG11 VAL 88 -5.413 -3.912 -3.912 588 2HG1 VAL 88 HG13 VAL 88 -6.227 -5.430 -5.430 589 3HG1 VAL 88 HG12 VAL 88 -5.151 -4.682 -4.682 590 1HG2 VAL 88 HG22 VAL 88 -8.216 -5.459 -5.459 591 2HG2 VAL 88 HG21 VAL 88 -8.610 -4.051 -4.051 592 3HG2 VAL 88 HG23 VAL 88 -7.128 -4.956 -4.956 593 H ASN 89 HN ASN 89 -6.857 -4.948 -4.948 594 HA ASN 89 HA ASN 89 -6.711 -3.256 -3.256 595 1HB ASN 89 HB2 ASN 89 -5.524 -5.153 -5.153 596 2HB ASN 89 HB1 ASN 89 -6.969 -5.698 -5.698 597 1HD2 ASN 89 HD22 ASN 89 -4.018 -7.831 -7.831 598 2HD2 ASN 89 HD21 ASN 89 -4.702 -7.433 -7.433 599 H GLY 90 HN GLY 90 -5.128 -2.441 -2.441 600 1HA GLY 90 HA2 GLY 90 -2.681 -1.722 -1.722 601 2HA GLY 90 HA1 GLY 90 -2.446 -2.582 -2.582 602 H PHE 91 HN PHE 91 -5.162 -0.484 -0.484 603 HA PHE 91 HA PHE 91 -3.816 1.506 1.506 604 1HB PHE 91 HB2 PHE 91 -6.359 0.025 0.025 605 2HB PHE 91 HB1 PHE 91 -6.345 1.701 1.701 606 HD1 PHE 91 HD1 PHE 91 -4.600 -1.582 -1.582 607 HD2 PHE 91 HD2 PHE 91 -5.128 2.321 2.321 608 HE1 PHE 91 HE1 PHE 91 -3.273 -2.208 -2.208 609 HE2 PHE 91 HE2 PHE 91 -3.834 1.727 1.727 610 HZ PHE 91 HZ PHE 91 -2.906 -0.568 -0.568 611 HA PRO 92 HA PRO 92 -6.675 4.100 4.100 612 1HB PRO 92 HB2 PRO 92 -7.240 3.151 3.151 613 2HB PRO 92 HB1 PRO 92 -8.326 2.938 2.938 614 1HG PRO 92 HG2 PRO 92 -6.578 0.934 0.934 615 2HG PRO 92 HG1 PRO 92 -8.051 0.681 0.681 616 1HD PRO 92 HD2 PRO 92 -5.385 0.297 0.297 617 2HD PRO 92 HD1 PRO 92 -6.840 0.305 0.305 618 H LYS 93 HN LYS 93 -3.809 2.815 2.815 619 HA LYS 93 HA LYS 93 -2.838 4.135 4.135 620 1HB LYS 93 HB2 LYS 93 -2.294 1.701 1.701 621 2HB LYS 93 HB1 LYS 93 -1.344 2.274 2.274 622 1HG LYS 93 HG2 LYS 93 0.169 3.460 3.460 623 2HG LYS 93 HG1 LYS 93 -0.906 3.328 3.328 624 1HD LYS 93 HD2 LYS 93 -0.610 0.823 0.823 625 2HD LYS 93 HD1 LYS 93 0.634 1.090 1.090 626 1HE LYS 93 HE2 LYS 93 0.702 2.386 2.386 627 2HE LYS 93 HE1 LYS 93 1.501 0.855 0.855 628 1HZ LYS 93 HZ3 LYS 93 2.673 2.027 2.027 629 2HZ LYS 93 HZ2 LYS 93 2.017 3.490 3.490 630 3HZ LYS 93 HZ1 LYS 93 3.076 2.596 2.596 631 H THR 94 HN THR 94 -0.681 5.137 5.137 632 HA THR 94 HA THR 94 -0.421 6.571 6.571 633 HB THR 94 HB THR 94 -0.024 7.722 7.722 634 HG1 THR 94 HG1 THR 94 -2.241 7.259 7.259 635 1HG2 THR 94 HG23 THR 94 0.531 8.653 8.653 636 2HG2 THR 94 HG22 THR 94 -0.174 9.835 9.835 637 3HG2 THR 94 HG21 THR 94 1.350 9.048 9.048 638 H VAL 95 HN VAL 95 1.578 6.430 6.430 639 HA VAL 95 HA VAL 95 3.650 5.270 5.270 640 HB VAL 95 HB VAL 95 3.287 5.317 5.317 641 1HG1 VAL 95 HG13 VAL 95 5.863 5.295 5.295 642 2HG1 VAL 95 HG12 VAL 95 5.673 4.147 4.147 643 3HG1 VAL 95 HG11 VAL 95 5.514 5.872 5.872 644 1HG2 VAL 95 HG21 VAL 95 2.901 3.461 3.461 645 2HG2 VAL 95 HG23 VAL 95 2.990 3.104 3.104 646 3HG2 VAL 95 HG22 VAL 95 4.436 2.983 2.983 647 H THR 96 HN THR 96 5.791 6.317 6.317 648 HA THR 96 HA THR 96 5.526 9.217 9.217 649 HB THR 96 HB THR 96 7.100 8.060 8.060 650 HG1 THR 96 HG1 THR 96 5.302 7.979 7.979 651 1HG2 THR 96 HG21 THR 96 6.583 10.742 10.742 652 2HG2 THR 96 HG23 THR 96 6.348 10.613 10.613 653 3HG2 THR 96 HG22 THR 96 7.902 10.185 10.185 654 H VAL 97 HN VAL 97 7.152 10.291 10.291 655 HA VAL 97 HA VAL 97 9.776 8.960 8.960 656 HB VAL 97 HB VAL 97 7.934 10.222 10.222 657 1HG1 VAL 97 HG12 VAL 97 10.955 10.201 10.201 658 2HG1 VAL 97 HG11 VAL 97 9.938 10.431 10.431 659 3HG1 VAL 97 HG13 VAL 97 9.898 11.611 11.611 660 1HG2 VAL 97 HG21 VAL 97 9.638 7.785 7.785 661 2HG2 VAL 97 HG23 VAL 97 7.990 7.919 7.919 662 3HG2 VAL 97 HG22 VAL 97 9.344 8.412 8.412 663 H LYS 98 HN LYS 98 11.437 10.333 10.333 664 HA LYS 98 HA LYS 98 10.672 13.192 13.192 665 1HB LYS 98 HB2 LYS 98 11.704 11.238 11.238 666 2HB LYS 98 HB1 LYS 98 12.710 12.685 12.685 667 1HG LYS 98 HG2 LYS 98 10.022 13.574 13.574 668 2HG LYS 98 HG1 LYS 98 10.111 12.354 12.354 669 1HD LYS 98 HD2 LYS 98 12.354 14.293 14.293 670 2HD LYS 98 HD1 LYS 98 10.787 14.951 14.951 671 1HE LYS 98 HE2 LYS 98 10.594 13.473 13.473 672 2HE LYS 98 HE1 LYS 98 11.868 12.417 12.417 673 1HZ LYS 98 HZ2 LYS 98 12.817 15.071 15.071 674 2HZ LYS 98 HZ1 LYS 98 12.150 14.501 14.501 675 3HZ LYS 98 HZ3 LYS 98 13.395 13.633 13.633 676 HA PRO 99 HA PRO 99 15.280 13.532 13.532 677 1HB PRO 99 HB2 PRO 99 16.800 11.256 11.256 678 2HB PRO 99 HB1 PRO 99 16.557 12.127 12.127 679 1HG PRO 99 HG2 PRO 99 15.336 9.561 9.561 680 2HG PRO 99 HG1 PRO 99 15.678 10.118 10.118 681 1HD PRO 99 HD2 PRO 99 13.155 10.130 10.130 682 2HD PRO 99 HD1 PRO 99 13.598 11.041 11.041 683 H ALA 100 HN ALA 100 13.787 13.783 13.783 684 HA ALA 100 HA ALA 100 14.139 11.803 11.803 685 1HB ALA 100 HB1 ALA 100 12.463 13.990 13.990 686 2HB ALA 100 HB3 ALA 100 13.579 14.533 14.533 687 3HB ALA 100 HB2 ALA 100 12.643 13.059 13.059 Start of MODEL 10 1 1H ALA 1 HT2 ALA 1 -17.872 -8.132 -8.132 2 2H ALA 1 HT1 ALA 1 -19.108 -8.561 -8.561 3 3H ALA 1 HT3 ALA 1 -18.625 -9.650 -9.650 4 HA ALA 1 HA ALA 1 -17.480 -10.547 -10.547 5 1HB ALA 1 HB3 ALA 1 -18.211 -8.116 -8.116 6 2HB ALA 1 HB2 ALA 1 -16.455 -8.205 -8.205 7 3HB ALA 1 HB1 ALA 1 -17.459 -9.508 -9.508 8 H ASP 2 HN ASP 2 -15.603 -11.278 -11.278 9 HA ASP 2 HA ASP 2 -13.558 -11.303 -11.303 10 1HB ASP 2 HB2 ASP 2 -12.839 -10.729 -10.729 11 2HB ASP 2 HB1 ASP 2 -13.192 -9.028 -9.028 12 HA PRO 3 HA PRO 3 -14.483 -7.515 -7.515 13 1HB PRO 3 HB2 PRO 3 -16.024 -8.688 -8.688 14 2HB PRO 3 HB1 PRO 3 -16.717 -7.933 -7.933 15 1HG PRO 3 HG2 PRO 3 -16.449 -10.828 -10.828 16 2HG PRO 3 HG1 PRO 3 -17.608 -10.021 -10.021 17 1HD PRO 3 HD2 PRO 3 -15.289 -11.450 -11.450 18 2HD PRO 3 HD1 PRO 3 -16.312 -10.413 -10.413 19 H GLU 4 HN GLU 4 -13.037 -10.476 -10.476 20 HA GLU 4 HA GLU 4 -11.515 -9.917 -9.917 21 1HB GLU 4 HB2 GLU 4 -13.616 -11.770 -11.770 22 2HB GLU 4 HB1 GLU 4 -12.129 -12.717 -12.717 23 1HG GLU 4 HG2 GLU 4 -11.586 -10.873 -10.873 24 2HG GLU 4 HG1 GLU 4 -13.305 -11.180 -11.180 25 H LYS 5 HN LYS 5 -11.128 -10.247 -10.247 26 HA LYS 5 HA LYS 5 -8.632 -11.812 -11.812 27 1HB LYS 5 HB2 LYS 5 -10.833 -13.074 -13.074 28 2HB LYS 5 HB1 LYS 5 -10.146 -12.377 -12.377 29 1HG LYS 5 HG2 LYS 5 -8.869 -14.274 -14.274 30 2HG LYS 5 HG1 LYS 5 -7.892 -13.339 -13.339 31 1HD LYS 5 HD2 LYS 5 -8.253 -14.983 -14.983 32 2HD LYS 5 HD1 LYS 5 -9.922 -14.417 -14.417 33 1HE LYS 5 HE2 LYS 5 -10.399 -15.896 -15.896 34 2HE LYS 5 HE1 LYS 5 -8.801 -16.601 -16.601 35 1HZ LYS 5 HZ1 LYS 5 -9.487 -17.113 -17.113 36 2HZ LYS 5 HZ3 LYS 5 -11.052 -16.572 -16.572 37 3HZ LYS 5 HZ2 LYS 5 -10.412 -17.927 -17.927 38 H SER 6 HN SER 6 -9.193 -9.041 -9.041 39 HA SER 6 HA SER 6 -8.193 -8.455 -8.455 40 1HB SER 6 HB2 SER 6 -9.402 -6.413 -6.413 41 2HB SER 6 HB1 SER 6 -9.225 -6.330 -6.330 42 HG SER 6 HG SER 6 -11.118 -7.208 -7.208 43 H TYR 7 HN TYR 7 -6.024 -8.110 -8.110 44 HA TYR 7 HA TYR 7 -4.988 -6.469 -6.469 45 1HB TYR 7 HB2 TYR 7 -2.946 -7.917 -7.917 46 2HB TYR 7 HB1 TYR 7 -4.412 -8.760 -8.760 47 HD1 TYR 7 HD2 TYR 7 -5.516 -10.377 -10.377 48 HD2 TYR 7 HD1 TYR 7 -1.840 -8.440 -8.440 49 HE1 TYR 7 HE2 TYR 7 -5.174 -12.044 -12.044 50 HE2 TYR 7 HE1 TYR 7 -1.497 -10.107 -10.107 51 HH TYR 7 HH TYR 7 -3.961 -12.244 -12.244 52 H ALA 8 HN ALA 8 -3.482 -4.950 -4.950 53 HA ALA 8 HA ALA 8 -2.556 -4.877 -4.877 54 1HB ALA 8 HB3 ALA 8 -3.883 -2.859 -2.859 55 2HB ALA 8 HB2 ALA 8 -2.309 -2.292 -2.292 56 3HB ALA 8 HB1 ALA 8 -3.512 -2.827 -2.827 57 H GLU 9 HN GLU 9 -0.380 -5.276 -5.276 58 HA GLU 9 HA GLU 9 1.280 -4.106 -4.106 59 1HB GLU 9 HB2 GLU 9 2.530 -6.192 -6.192 60 2HB GLU 9 HB1 GLU 9 0.819 -6.486 -6.486 61 1HG GLU 9 HG2 GLU 9 0.679 -7.941 -7.941 62 2HG GLU 9 HG1 GLU 9 1.447 -6.802 -6.802 63 H GLY 10 HN GLY 10 3.285 -3.425 -3.425 64 1HA GLY 10 HA2 GLY 10 4.415 -4.240 -4.240 65 2HA GLY 10 HA1 GLY 10 3.777 -2.601 -2.601 66 HA PRO 11 HA PRO 11 8.077 -2.532 -2.532 67 1HB PRO 11 HB2 PRO 11 9.355 -1.464 -1.464 68 2HB PRO 11 HB1 PRO 11 9.234 -3.209 -3.209 69 1HG PRO 11 HG2 PRO 11 7.745 -1.527 -1.527 70 2HG PRO 11 HG1 PRO 11 8.166 -3.246 -3.246 71 1HD PRO 11 HD2 PRO 11 5.632 -2.207 -2.207 72 2HD PRO 11 HD1 PRO 11 6.173 -3.877 -3.877 73 H GLY 12 HN GLY 12 5.595 -0.662 -0.662 74 1HA GLY 12 HA2 GLY 12 6.967 1.932 1.932 75 2HA GLY 12 HA1 GLY 12 5.506 1.755 1.755 76 H LEU 13 HN LEU 13 5.720 3.439 3.439 77 HA LEU 13 HA LEU 13 4.121 3.981 3.981 78 1HB LEU 13 HB2 LEU 13 2.196 2.840 2.840 79 2HB LEU 13 HB1 LEU 13 2.822 2.051 2.051 80 HG LEU 13 HG LEU 13 3.828 0.595 0.595 81 1HD1 LEU 13 HD12 LEU 13 0.892 1.264 1.264 82 2HD1 LEU 13 HD11 LEU 13 1.649 -0.086 -0.086 83 3HD1 LEU 13 HD13 LEU 13 2.122 1.568 1.568 84 1HD2 LEU 13 HD22 LEU 13 2.271 0.190 0.190 85 2HD2 LEU 13 HD21 LEU 13 3.349 -0.931 -0.931 86 3HD2 LEU 13 HD23 LEU 13 1.660 -0.804 -0.804 87 H ASP 14 HN ASP 14 6.569 1.803 1.803 88 HA ASP 14 HA ASP 14 6.368 0.839 0.839 89 1HB ASP 14 HB2 ASP 14 8.960 1.477 1.477 90 2HB ASP 14 HB1 ASP 14 8.593 0.150 0.150 91 H GLY 15 HN GLY 15 7.112 3.822 3.822 92 1HA GLY 15 HA2 GLY 15 7.321 5.937 5.937 93 2HA GLY 15 HA1 GLY 15 7.547 5.072 5.072 94 H GLY 16 HN GLY 16 9.393 5.799 5.799 95 1HA GLY 16 HA2 GLY 16 11.709 6.088 6.088 96 2HA GLY 16 HA1 GLY 16 11.897 4.976 4.976 97 H GLU 17 HN GLU 17 11.529 6.002 6.002 98 HA GLU 17 HA GLU 17 12.657 8.771 8.771 99 1HB GLU 17 HB2 GLU 17 13.195 6.447 6.447 100 2HB GLU 17 HB1 GLU 17 13.533 8.078 8.078 101 1HG GLU 17 HG2 GLU 17 15.137 8.436 8.436 102 2HG GLU 17 HG1 GLU 17 14.537 7.088 7.088 103 H CYS 18 HN CYS 18 11.851 10.298 10.298 104 HA CYS 18 HA CYS 18 9.236 9.792 9.792 105 1HB CYS 18 HB2 CYS 18 10.777 12.245 12.245 106 2HB CYS 18 HB1 CYS 18 9.676 12.362 12.362 107 HG CYS 18 HG CYS 18 7.983 11.134 11.134 108 H PHE 19 HN PHE 19 12.552 10.102 10.102 109 HA PHE 19 HA PHE 19 11.923 10.821 10.821 110 1HB PHE 19 HB2 PHE 19 14.498 10.329 10.329 111 2HB PHE 19 HB1 PHE 19 14.451 10.557 10.557 112 HD1 PHE 19 HD2 PHE 19 13.185 12.597 12.597 113 HD2 PHE 19 HD1 PHE 19 14.411 12.188 12.188 114 HE1 PHE 19 HE2 PHE 19 12.899 15.035 15.035 115 HE2 PHE 19 HE1 PHE 19 14.128 14.629 14.629 116 HZ PHE 19 HZ PHE 19 13.355 16.032 16.032 117 H GLN 20 HN GLN 20 11.452 8.108 8.108 118 HA GLN 20 HA GLN 20 12.613 6.348 6.348 119 1HB GLN 20 HB2 GLN 20 11.412 5.859 5.859 120 2HB GLN 20 HB1 GLN 20 11.487 4.553 4.553 121 1HG GLN 20 HG2 GLN 20 14.021 5.592 5.592 122 2HG GLN 20 HG1 GLN 20 13.658 5.812 5.812 123 1HE2 GLN 20 HE22 GLN 20 13.299 1.932 1.932 124 2HE2 GLN 20 HE21 GLN 20 12.619 3.187 3.187 125 HA PRO 21 HA PRO 21 8.745 6.461 6.461 126 1HB PRO 21 HB2 PRO 21 8.786 4.001 4.001 127 2HB PRO 21 HB1 PRO 21 9.708 5.406 5.406 128 1HG PRO 21 HG2 PRO 21 10.674 2.991 2.991 129 2HG PRO 21 HG1 PRO 21 11.536 4.013 4.013 130 1HD PRO 21 HD2 PRO 21 11.857 4.139 4.139 131 2HD PRO 21 HD1 PRO 21 12.302 5.436 5.436 132 H SER 22 HN SER 22 6.666 6.042 6.042 133 HA SER 22 HA SER 22 6.406 3.790 3.790 134 1HB SER 22 HB2 SER 22 4.322 5.846 5.846 135 2HB SER 22 HB1 SER 22 4.602 4.913 4.913 136 HG SER 22 HG SER 22 6.777 6.144 6.144 137 H LYS 23 HN LYS 23 5.696 1.968 1.968 138 HA LYS 23 HA LYS 23 3.266 2.225 2.225 139 1HB LYS 23 HB2 LYS 23 5.543 0.581 0.581 140 2HB LYS 23 HB1 LYS 23 4.135 1.204 1.204 141 1HG LYS 23 HG2 LYS 23 4.996 3.517 3.517 142 2HG LYS 23 HG1 LYS 23 6.443 2.852 2.852 143 1HD LYS 23 HD2 LYS 23 5.581 1.922 1.922 144 2HD LYS 23 HD1 LYS 23 6.534 3.395 3.395 145 1HE LYS 23 HE2 LYS 23 8.363 2.076 2.076 146 2HE LYS 23 HE1 LYS 23 7.824 1.533 1.533 147 1HZ LYS 23 HZ2 LYS 23 6.617 0.290 0.290 148 2HZ LYS 23 HZ1 LYS 23 8.212 -0.145 -0.145 149 3HZ LYS 23 HZ3 LYS 23 6.968 -0.381 -0.381 150 H PHE 24 HN PHE 24 1.932 0.560 0.560 151 HA PHE 24 HA PHE 24 3.037 -1.972 -1.972 152 1HB PHE 24 HB2 PHE 24 0.598 -1.456 -1.456 153 2HB PHE 24 HB1 PHE 24 2.211 -1.703 -1.703 154 HD1 PHE 24 HD1 PHE 24 3.829 0.365 0.365 155 HD2 PHE 24 HD2 PHE 24 -0.454 0.580 0.580 156 HE1 PHE 24 HE1 PHE 24 3.972 2.762 2.762 157 HE2 PHE 24 HE2 PHE 24 -0.316 2.988 2.988 158 HZ PHE 24 HZ PHE 24 1.907 4.071 4.071 159 H LYS 25 HN LYS 25 1.481 -3.768 -3.768 160 HA LYS 25 HA LYS 25 -0.500 -3.237 -3.237 161 1HB LYS 25 HB2 LYS 25 1.088 -5.738 -5.738 162 2HB LYS 25 HB1 LYS 25 -0.189 -5.680 -5.680 163 1HG LYS 25 HG2 LYS 25 1.710 -5.296 -5.296 164 2HG LYS 25 HG1 LYS 25 1.184 -3.651 -3.651 165 1HD LYS 25 HD2 LYS 25 3.267 -3.309 -3.309 166 2HD LYS 25 HD1 LYS 25 2.773 -4.299 -4.299 167 1HE LYS 25 HE2 LYS 25 3.403 -6.275 -6.275 168 2HE LYS 25 HE1 LYS 25 4.461 -5.025 -5.025 169 1HZ LYS 25 HZ3 LYS 25 4.355 -5.648 -5.648 170 2HZ LYS 25 HZ2 LYS 25 5.408 -6.456 -6.456 171 3HZ LYS 25 HZ1 LYS 25 5.542 -4.777 -4.777 172 H ILE 26 HN ILE 26 -2.610 -4.032 -4.032 173 HA ILE 26 HA ILE 26 -3.128 -5.037 -5.037 174 HB ILE 26 HB ILE 26 -5.169 -3.827 -3.827 175 1HG1 ILE 26 HG12 ILE 26 -3.172 -2.460 -2.460 176 2HG1 ILE 26 HG11 ILE 26 -3.448 -2.164 -2.164 177 1HG2 ILE 26 HG23 ILE 26 -5.779 -5.076 -5.076 178 2HG2 ILE 26 HG22 ILE 26 -4.994 -3.758 -3.758 179 3HG2 ILE 26 HG21 ILE 26 -6.396 -3.431 -3.431 180 1HD1 ILE 26 HD11 ILE 26 -5.942 -1.827 -1.827 181 2HD1 ILE 26 HD13 ILE 26 -4.738 -0.938 -0.938 182 3HD1 ILE 26 HD12 ILE 26 -4.957 -0.592 -0.592 183 H HIS 27 HN HIS 27 -4.566 -6.759 -6.759 184 HA HIS 27 HA HIS 27 -5.441 -8.189 -8.189 185 1HB HIS 27 HB2 HIS 27 -4.122 -9.674 -9.674 186 2HB HIS 27 HB1 HIS 27 -4.445 -10.243 -10.243 187 HD1 HIS 27 HD1 HIS 27 -2.529 -7.335 -7.335 188 HD2 HIS 27 HD2 HIS 27 -2.153 -10.114 -10.114 189 HE1 HIS 27 HE1 HIS 27 -0.319 -6.863 -6.863 190 H ALA 28 HN ALA 28 -7.586 -8.364 -8.364 191 HA ALA 28 HA ALA 28 -8.697 -8.700 -8.700 192 1HB ALA 28 HB2 ALA 28 -9.614 -7.481 -7.481 193 2HB ALA 28 HB1 ALA 28 -10.827 -8.543 -8.543 194 3HB ALA 28 HB3 ALA 28 -10.170 -7.203 -7.203 195 H VAL 29 HN VAL 29 -9.910 -10.555 -10.555 196 HA VAL 29 HA VAL 29 -10.148 -12.670 -12.670 197 HB VAL 29 HB VAL 29 -8.963 -12.888 -12.888 198 1HG1 VAL 29 HG13 VAL 29 -10.409 -14.994 -14.994 199 2HG1 VAL 29 HG12 VAL 29 -9.085 -15.439 -15.439 200 3HG1 VAL 29 HG11 VAL 29 -10.525 -14.652 -14.652 201 1HG2 VAL 29 HG21 VAL 29 -8.192 -13.665 -13.665 202 2HG2 VAL 29 HG23 VAL 29 -7.316 -12.632 -12.632 203 3HG2 VAL 29 HG22 VAL 29 -7.387 -14.374 -14.374 204 H ASP 30 HN ASP 30 -12.238 -13.088 -13.088 205 HA ASP 30 HA ASP 30 -14.124 -12.742 -12.742 206 1HB ASP 30 HB2 ASP 30 -14.222 -12.076 -12.076 207 2HB ASP 30 HB1 ASP 30 -15.443 -13.298 -13.298 208 HA PRO 31 HA PRO 31 -14.913 -17.060 -17.060 209 1HB PRO 31 HB2 PRO 31 -17.618 -17.391 -17.391 210 2HB PRO 31 HB1 PRO 31 -16.875 -16.742 -16.742 211 1HG PRO 31 HG2 PRO 31 -18.386 -15.305 -15.305 212 2HG PRO 31 HG1 PRO 31 -18.128 -14.856 -14.856 213 1HD PRO 31 HD2 PRO 31 -16.769 -13.803 -13.803 214 2HD PRO 31 HD1 PRO 31 -16.354 -13.520 -13.520 215 H ASP 32 HN ASP 32 -14.279 -16.179 -16.179 216 HA ASP 32 HA ASP 32 -15.597 -18.512 -18.512 217 1HB ASP 32 HB2 ASP 32 -15.203 -15.716 -15.716 218 2HB ASP 32 HB1 ASP 32 -15.468 -17.098 -17.098 219 H GLY 33 HN GLY 33 -12.787 -17.604 -17.604 220 1HA GLY 33 HA2 GLY 33 -10.577 -18.288 -18.288 221 2HA GLY 33 HA1 GLY 33 -11.206 -19.190 -19.190 222 H VAL 34 HN VAL 34 -11.909 -15.853 -15.853 223 HA VAL 34 HA VAL 34 -10.006 -14.901 -14.901 224 HB VAL 34 HB VAL 34 -12.813 -14.010 -14.010 225 1HG1 VAL 34 HG11 VAL 34 -10.334 -14.126 -14.126 226 2HG1 VAL 34 HG13 VAL 34 -11.576 -14.964 -14.964 227 3HG1 VAL 34 HG12 VAL 34 -11.822 -13.287 -13.287 228 1HG2 VAL 34 HG23 VAL 34 -11.915 -16.837 -16.837 229 2HG2 VAL 34 HG22 VAL 34 -13.333 -16.320 -16.320 230 3HG2 VAL 34 HG21 VAL 34 -13.269 -16.067 -16.067 231 H HIS 35 HN HIS 35 -10.825 -12.353 -12.353 232 HA HIS 35 HA HIS 35 -10.861 -11.356 -11.356 233 1HB HIS 35 HB2 HIS 35 -10.376 -9.652 -9.652 234 2HB HIS 35 HB1 HIS 35 -9.830 -9.384 -9.384 235 HD1 HIS 35 HD1 HIS 35 -7.442 -10.004 -10.004 236 HD2 HIS 35 HD2 HIS 35 -9.112 -12.213 -12.213 237 HE1 HIS 35 HE1 HIS 35 -5.594 -11.488 -11.488 238 H ARG 36 HN ARG 36 -13.254 -12.265 -12.265 239 HA ARG 36 HA ARG 36 -15.486 -11.656 -11.656 240 1HB ARG 36 HB2 ARG 36 -16.007 -9.526 -9.526 241 2HB ARG 36 HB1 ARG 36 -14.273 -9.446 -9.446 242 1HG ARG 36 HG2 ARG 36 -14.340 -7.606 -7.606 243 2HG ARG 36 HG1 ARG 36 -14.478 -8.732 -8.732 244 1HD ARG 36 HD2 ARG 36 -16.402 -7.578 -7.578 245 2HD ARG 36 HD1 ARG 36 -17.064 -8.647 -8.647 246 HE ARG 36 HE ARG 36 -15.916 -6.315 -6.315 247 1HH1 ARG 36 HH11 ARG 36 -18.459 -7.171 -7.171 248 2HH1 ARG 36 HH12 ARG 36 -19.618 -6.110 -6.110 249 1HH2 ARG 36 HH21 ARG 36 -17.466 -5.048 -5.048 250 2HH2 ARG 36 HH22 ARG 36 -19.056 -4.909 -4.909 251 H THR 37 HN THR 37 -14.175 -12.504 -12.504 252 HA THR 37 HA THR 37 -14.710 -12.742 -12.742 253 HB THR 37 HB THR 37 -16.857 -12.216 -12.216 254 HG1 THR 37 HG1 THR 37 -16.711 -9.903 -9.903 255 1HG2 THR 37 HG23 THR 37 -16.640 -13.000 -13.000 256 2HG2 THR 37 HG22 THR 37 -17.667 -11.574 -11.574 257 3HG2 THR 37 HG21 THR 37 -18.156 -12.915 -12.915 258 H ASP 38 HN ASP 38 -12.814 -11.717 -11.717 259 HA ASP 38 HA ASP 38 -12.026 -9.082 -9.082 260 1HB ASP 38 HB2 ASP 38 -11.332 -11.272 -11.272 261 2HB ASP 38 HB1 ASP 38 -11.640 -9.932 -9.932 262 H GLY 39 HN GLY 39 -12.093 -7.382 -7.382 263 1HA GLY 39 HA2 GLY 39 -13.330 -5.898 -5.898 264 2HA GLY 39 HA1 GLY 39 -14.316 -7.278 -7.278 265 H GLY 40 HN GLY 40 -13.877 -5.049 -5.049 266 1HA GLY 40 HA2 GLY 40 -15.984 -3.778 -3.778 267 2HA GLY 40 HA1 GLY 40 -16.831 -5.313 -5.313 268 H ASP 41 HN ASP 41 -13.964 -4.087 -4.087 269 HA ASP 41 HA ASP 41 -14.985 -5.668 -5.668 270 1HB ASP 41 HB2 ASP 41 -12.193 -4.544 -4.544 271 2HB ASP 41 HB1 ASP 41 -12.758 -5.910 -5.910 272 H GLY 42 HN GLY 42 -15.612 -4.494 -4.494 273 1HA GLY 42 HA2 GLY 42 -15.653 -1.589 -1.589 274 2HA GLY 42 HA1 GLY 42 -16.174 -2.551 -2.551 275 H PHE 43 HN PHE 43 -13.103 -2.035 -2.035 276 HA PHE 43 HA PHE 43 -11.710 -1.970 -1.970 277 1HB PHE 43 HB2 PHE 43 -11.175 -3.258 -3.258 278 2HB PHE 43 HB1 PHE 43 -10.023 -1.926 -1.926 279 HD1 PHE 43 HD2 PHE 43 -9.881 -1.787 -1.787 280 HD2 PHE 43 HD1 PHE 43 -9.586 -5.022 -5.022 281 HE1 PHE 43 HE2 PHE 43 -8.482 -3.065 -3.065 282 HE2 PHE 43 HE1 PHE 43 -8.187 -6.295 -6.295 283 HZ PHE 43 HZ PHE 43 -7.637 -5.317 -5.317 284 H VAL 44 HN VAL 44 -11.813 0.147 0.147 285 HA VAL 44 HA VAL 44 -10.846 2.207 2.207 286 HB VAL 44 HB VAL 44 -12.713 3.324 3.324 287 1HG1 VAL 44 HG11 VAL 44 -12.801 1.283 1.283 288 2HG1 VAL 44 HG13 VAL 44 -13.863 2.684 2.684 289 3HG1 VAL 44 HG12 VAL 44 -13.953 1.567 1.567 290 1HG2 VAL 44 HG21 VAL 44 -10.755 4.307 4.307 291 2HG2 VAL 44 HG23 VAL 44 -12.414 4.803 4.803 292 3HG2 VAL 44 HG22 VAL 44 -11.637 3.582 3.582 293 H VAL 45 HN VAL 45 -8.707 2.577 2.577 294 HA VAL 45 HA VAL 45 -7.734 2.637 2.637 295 HB VAL 45 HB VAL 45 -6.243 1.595 1.595 296 1HG1 VAL 45 HG13 VAL 45 -4.777 2.797 2.797 297 2HG1 VAL 45 HG12 VAL 45 -5.404 1.811 1.811 298 3HG1 VAL 45 HG11 VAL 45 -4.461 1.062 1.062 299 1HG2 VAL 45 HG23 VAL 45 -8.009 0.371 0.371 300 2HG2 VAL 45 HG22 VAL 45 -7.186 -0.377 -0.377 301 3HG2 VAL 45 HG21 VAL 45 -6.379 -0.275 -0.275 302 H THR 46 HN THR 46 -6.318 4.287 4.287 303 HA THR 46 HA THR 46 -5.252 6.018 6.018 304 HB THR 46 HB THR 46 -6.874 7.614 7.614 305 HG1 THR 46 HG1 THR 46 -8.586 6.438 6.438 306 1HG2 THR 46 HG22 THR 46 -5.633 7.951 7.951 307 2HG2 THR 46 HG21 THR 46 -7.329 7.795 7.795 308 3HG2 THR 46 HG23 THR 46 -6.835 9.045 9.045 309 H ILE 47 HN ILE 47 -3.524 7.157 7.157 310 HA ILE 47 HA ILE 47 -2.968 7.106 7.106 311 HB ILE 47 HB ILE 47 -1.138 6.708 6.708 312 1HG1 ILE 47 HG12 ILE 47 -1.871 5.269 5.269 313 2HG1 ILE 47 HG11 ILE 47 -1.503 4.619 4.619 314 1HG2 ILE 47 HG23 ILE 47 -0.341 7.741 7.741 315 2HG2 ILE 47 HG22 ILE 47 0.790 7.181 7.181 316 3HG2 ILE 47 HG21 ILE 47 -0.185 8.611 8.611 317 1HD1 ILE 47 HD11 ILE 47 0.912 5.507 5.507 318 2HD1 ILE 47 HD13 ILE 47 0.400 5.502 5.502 319 3HD1 ILE 47 HD12 ILE 47 0.399 4.001 4.001 320 H GLU 48 HN GLU 48 -1.774 8.986 8.986 321 HA GLU 48 HA GLU 48 -1.304 11.171 11.171 322 1HB GLU 48 HB2 GLU 48 -2.974 12.730 12.730 323 2HB GLU 48 HB1 GLU 48 -3.639 11.597 11.597 324 1HG GLU 48 HG2 GLU 48 -4.934 10.693 10.693 325 2HG GLU 48 HG1 GLU 48 -3.496 10.265 10.265 326 H GLY 49 HN GLY 49 -0.177 12.852 12.852 327 1HA GLY 49 HA2 GLY 49 0.300 12.980 12.980 328 2HA GLY 49 HA1 GLY 49 1.692 12.445 12.445 329 HA PRO 50 HA PRO 50 1.582 17.075 17.075 330 1HB PRO 50 HB2 PRO 50 4.149 17.408 17.408 331 2HB PRO 50 HB1 PRO 50 2.724 17.316 17.316 332 1HG PRO 50 HG2 PRO 50 4.819 15.248 15.248 333 2HG PRO 50 HG1 PRO 50 3.813 15.497 15.497 334 1HD PRO 50 HD2 PRO 50 3.389 13.528 13.528 335 2HD PRO 50 HD1 PRO 50 2.203 14.047 14.047 336 H ALA 51 HN ALA 51 1.622 16.239 16.239 337 HA ALA 51 HA ALA 51 4.086 17.223 17.223 338 1HB ALA 51 HB3 ALA 51 3.837 14.455 14.455 339 2HB ALA 51 HB2 ALA 51 3.495 14.665 14.665 340 3HB ALA 51 HB1 ALA 51 5.019 15.244 15.244 341 HA PRO 52 HA PRO 52 1.370 18.103 18.103 342 1HB PRO 52 HB2 PRO 52 2.817 17.396 17.396 343 2HB PRO 52 HB1 PRO 52 3.171 18.823 18.823 344 1HG PRO 52 HG2 PRO 52 4.628 16.223 16.223 345 2HG PRO 52 HG1 PRO 52 5.239 17.830 17.830 346 1HD PRO 52 HD2 PRO 52 4.610 15.769 15.769 347 2HD PRO 52 HD1 PRO 52 4.877 17.477 17.477 348 H VAL 53 HN VAL 53 2.947 15.000 15.000 349 HA VAL 53 HA VAL 53 0.393 14.028 14.028 350 HB VAL 53 HB VAL 53 2.920 12.404 12.404 351 1HG1 VAL 53 HG13 VAL 53 0.372 12.066 12.066 352 2HG1 VAL 53 HG12 VAL 53 1.565 12.218 12.218 353 3HG1 VAL 53 HG11 VAL 53 1.755 10.973 10.973 354 1HG2 VAL 53 HG22 VAL 53 3.485 14.671 14.671 355 2HG2 VAL 53 HG21 VAL 53 3.748 13.364 13.364 356 3HG2 VAL 53 HG23 VAL 53 2.319 14.389 14.389 357 H ASP 54 HN ASP 54 -0.681 14.073 14.073 358 HA ASP 54 HA ASP 54 0.354 12.151 12.151 359 1HB ASP 54 HB2 ASP 54 -1.803 14.233 14.233 360 2HB ASP 54 HB1 ASP 54 -1.774 13.004 13.004 361 HA PRO 55 HA PRO 55 -3.761 9.903 9.903 362 1HB PRO 55 HB2 PRO 55 -5.544 10.973 10.973 363 2HB PRO 55 HB1 PRO 55 -5.556 11.350 11.350 364 1HG PRO 55 HG2 PRO 55 -4.560 13.014 13.014 365 2HG PRO 55 HG1 PRO 55 -5.275 13.529 13.529 366 1HD PRO 55 HD2 PRO 55 -2.535 13.576 13.576 367 2HD PRO 55 HD1 PRO 55 -3.251 13.576 13.576 368 H VAL 56 HN VAL 56 -2.794 8.222 8.222 369 HA VAL 56 HA VAL 56 -2.873 8.489 8.489 370 HB VAL 56 HB VAL 56 -0.547 7.371 7.371 371 1HG1 VAL 56 HG12 VAL 56 -1.370 7.443 7.443 372 2HG1 VAL 56 HG11 VAL 56 0.161 8.297 8.297 373 3HG1 VAL 56 HG13 VAL 56 0.013 6.618 6.618 374 1HG2 VAL 56 HG23 VAL 56 -0.872 10.121 10.121 375 2HG2 VAL 56 HG22 VAL 56 -0.766 9.790 9.790 376 3HG2 VAL 56 HG21 VAL 56 0.624 9.488 9.488 377 H MET 57 HN MET 57 -4.438 6.865 6.865 378 HA MET 57 HA MET 57 -3.492 4.160 4.160 379 1HB MET 57 HB2 MET 57 -5.516 3.456 3.456 380 2HB MET 57 HB1 MET 57 -5.163 5.015 5.015 381 1HG MET 57 HG2 MET 57 -6.954 4.690 4.690 382 2HG MET 57 HG1 MET 57 -7.562 4.713 4.713 383 1HE MET 57 HE1 MET 57 -8.459 6.396 6.396 384 2HE MET 57 HE3 MET 57 -8.016 8.108 8.108 385 3HE MET 57 HE2 MET 57 -6.973 6.925 6.925 386 H VAL 58 HN VAL 58 -3.823 2.661 2.661 387 HA VAL 58 HA VAL 58 -5.554 3.448 3.448 388 HB VAL 58 HB VAL 58 -3.346 1.690 1.690 389 1HG1 VAL 58 HG13 VAL 58 -4.913 3.871 3.871 390 2HG1 VAL 58 HG12 VAL 58 -3.198 4.205 4.205 391 3HG1 VAL 58 HG11 VAL 58 -3.907 2.717 2.717 392 1HG2 VAL 58 HG23 VAL 58 -2.748 4.289 4.289 393 2HG2 VAL 58 HG22 VAL 58 -1.925 2.736 2.736 394 3HG2 VAL 58 HG21 VAL 58 -1.697 3.718 3.718 395 H ASP 59 HN ASP 59 -6.472 1.638 1.638 396 HA ASP 59 HA ASP 59 -6.592 -0.897 -0.897 397 1HB ASP 59 HB2 ASP 59 -8.724 0.266 0.266 398 2HB ASP 59 HB1 ASP 59 -8.722 0.509 0.509 399 H ASN 60 HN ASN 60 -5.733 -2.603 -2.603 400 HA ASN 60 HA ASN 60 -5.244 -2.308 -2.308 401 1HB ASN 60 HB2 ASN 60 -3.909 -3.614 -3.614 402 2HB ASN 60 HB1 ASN 60 -4.545 -4.906 -4.906 403 1HD2 ASN 60 HD22 ASN 60 -1.923 -2.226 -2.226 404 2HD2 ASN 60 HD21 ASN 60 -2.924 -1.699 -1.699 405 H GLY 61 HN GLY 61 -7.569 -3.866 -3.866 406 1HA GLY 61 HA2 GLY 61 -9.580 -4.859 -4.859 407 2HA GLY 61 HA1 GLY 61 -8.956 -4.812 -4.812 408 H ASP 62 HN ASP 62 -7.012 -6.216 -6.216 409 HA ASP 62 HA ASP 62 -7.669 -8.923 -8.923 410 1HB ASP 62 HB2 ASP 62 -5.283 -9.518 -9.518 411 2HB ASP 62 HB1 ASP 62 -5.467 -8.212 -8.212 412 H GLY 63 HN GLY 63 -8.797 -7.604 -7.604 413 1HA GLY 63 HA2 GLY 63 -9.419 -8.348 -8.348 414 2HA GLY 63 HA1 GLY 63 -8.382 -9.752 -9.752 415 H THR 64 HN THR 64 -6.471 -7.183 -7.183 416 HA THR 64 HA THR 64 -5.666 -6.711 -6.711 417 HB THR 64 HB THR 64 -3.310 -6.972 -6.972 418 HG1 THR 64 HG1 THR 64 -4.007 -8.031 -8.031 419 1HG2 THR 64 HG21 THR 64 -4.572 -8.974 -8.974 420 2HG2 THR 64 HG23 THR 64 -4.960 -9.328 -9.328 421 3HG2 THR 64 HG22 THR 64 -3.286 -9.390 -9.390 422 H TYR 65 HN TYR 65 -4.821 -4.605 -4.605 423 HA TYR 65 HA TYR 65 -4.891 -2.829 -2.829 424 1HB TYR 65 HB2 TYR 65 -5.999 -2.251 -2.251 425 2HB TYR 65 HB1 TYR 65 -5.987 -1.119 -1.119 426 HD1 TYR 65 HD1 TYR 65 -6.566 -2.667 -2.667 427 HD2 TYR 65 HD2 TYR 65 -8.215 -3.093 -3.093 428 HE1 TYR 65 HE1 TYR 65 -8.543 -3.766 -3.766 429 HE2 TYR 65 HE2 TYR 65 -10.202 -4.195 -4.195 430 HH TYR 65 HH TYR 65 -10.545 -4.631 -4.631 431 H ASP 66 HN ASP 66 -3.539 -0.900 -0.900 432 HA ASP 66 HA ASP 66 -1.343 -1.278 -1.278 433 1HB ASP 66 HB2 ASP 66 -0.878 -0.031 -0.031 434 2HB ASP 66 HB1 ASP 66 0.268 -0.857 -0.857 435 H VAL 67 HN VAL 67 -0.630 0.548 0.548 436 HA VAL 67 HA VAL 67 -1.811 3.135 3.135 437 HB VAL 67 HB VAL 67 -2.528 3.628 3.628 438 1HG1 VAL 67 HG11 VAL 67 -3.483 1.398 1.398 439 2HG1 VAL 67 HG13 VAL 67 -2.976 0.716 0.716 440 3HG1 VAL 67 HG12 VAL 67 -4.152 2.031 2.031 441 1HG2 VAL 67 HG22 VAL 67 -0.462 1.651 1.651 442 2HG2 VAL 67 HG21 VAL 67 -0.862 3.201 3.201 443 3HG2 VAL 67 HG23 VAL 67 -1.865 1.786 1.786 444 H GLU 68 HN GLU 68 -0.317 4.953 4.953 445 HA GLU 68 HA GLU 68 2.239 4.370 4.370 446 1HB GLU 68 HB2 GLU 68 2.270 5.238 5.238 447 2HB GLU 68 HB1 GLU 68 3.650 4.777 4.777 448 1HG GLU 68 HG2 GLU 68 3.238 2.848 2.848 449 2HG GLU 68 HG1 GLU 68 2.434 2.481 2.481 450 H PHE 69 HN PHE 69 3.040 6.130 6.130 451 HA PHE 69 HA PHE 69 2.474 8.810 8.810 452 1HB PHE 69 HB2 PHE 69 1.954 9.830 9.830 453 2HB PHE 69 HB1 PHE 69 0.933 8.399 8.399 454 HD1 PHE 69 HD1 PHE 69 2.138 6.184 6.184 455 HD2 PHE 69 HD2 PHE 69 3.145 10.223 10.223 456 HE1 PHE 69 HE1 PHE 69 3.146 5.391 5.391 457 HE2 PHE 69 HE2 PHE 69 4.156 9.426 9.426 458 HZ PHE 69 HZ PHE 69 4.138 6.988 6.988 459 H GLU 70 HN GLU 70 4.221 10.405 10.405 460 HA GLU 70 HA GLU 70 6.569 9.227 9.227 461 1HB GLU 70 HB2 GLU 70 8.061 9.436 9.436 462 2HB GLU 70 HB1 GLU 70 6.642 8.581 8.581 463 1HG GLU 70 HG2 GLU 70 5.781 10.952 10.952 464 2HG GLU 70 HG1 GLU 70 7.471 11.433 11.433 465 HA PRO 71 HA PRO 71 6.346 13.656 13.656 466 1HB PRO 71 HB2 PRO 71 7.359 13.313 13.313 467 2HB PRO 71 HB1 PRO 71 5.651 13.082 13.082 468 1HG PRO 71 HG2 PRO 71 7.733 11.031 11.031 469 2HG PRO 71 HG1 PRO 71 5.975 10.924 10.924 470 1HD PRO 71 HD2 PRO 71 7.523 9.828 9.828 471 2HD PRO 71 HD1 PRO 71 5.752 9.957 9.957 472 H LYS 72 HN LYS 72 8.147 15.100 15.100 473 HA LYS 72 HA LYS 72 10.904 14.157 14.157 474 1HB LYS 72 HB2 LYS 72 9.904 16.899 16.899 475 2HB LYS 72 HB1 LYS 72 11.384 16.097 16.097 476 1HG LYS 72 HG2 LYS 72 9.962 14.365 14.365 477 2HG LYS 72 HG1 LYS 72 8.546 15.341 15.341 478 1HD LYS 72 HD2 LYS 72 10.905 16.528 16.528 479 2HD LYS 72 HD1 LYS 72 9.616 15.690 15.690 480 1HE LYS 72 HE2 LYS 72 8.563 17.700 17.700 481 2HE LYS 72 HE1 LYS 72 8.198 17.343 17.343 482 1HZ LYS 72 HZ3 LYS 72 10.683 18.701 18.701 483 2HZ LYS 72 HZ2 LYS 72 9.280 19.537 19.537 484 3HZ LYS 72 HZ1 LYS 72 10.091 18.546 18.546 485 H GLU 73 HN GLU 73 9.456 14.755 14.755 486 HA GLU 73 HA GLU 73 11.619 16.399 16.399 487 1HB GLU 73 HB2 GLU 73 10.083 17.996 17.996 488 2HB GLU 73 HB1 GLU 73 9.899 18.062 18.062 489 1HG GLU 73 HG2 GLU 73 7.809 17.111 17.111 490 2HG GLU 73 HG1 GLU 73 8.160 16.135 16.135 491 H ALA 74 HN ALA 74 10.341 16.757 16.757 492 HA ALA 74 HA ALA 74 10.346 13.953 13.953 493 1HB ALA 74 HB2 ALA 74 11.462 16.175 16.175 494 2HB ALA 74 HB1 ALA 74 9.901 16.180 16.180 495 3HB ALA 74 HB3 ALA 74 10.964 14.778 14.778 496 H GLY 75 HN GLY 75 8.387 12.943 12.943 497 1HA GLY 75 HA2 GLY 75 6.029 14.390 14.390 498 2HA GLY 75 HA1 GLY 75 5.959 13.949 13.949 499 H ASP 76 HN ASP 76 4.133 12.963 12.963 500 HA ASP 76 HA ASP 76 4.938 10.090 10.090 501 1HB ASP 76 HB2 ASP 76 2.868 10.088 10.088 502 2HB ASP 76 HB1 ASP 76 4.344 10.851 10.851 503 H TYR 77 HN TYR 77 3.251 8.548 8.548 504 HA TYR 77 HA TYR 77 1.515 9.652 9.652 505 1HB TYR 77 HB2 TYR 77 2.246 6.755 6.755 506 2HB TYR 77 HB1 TYR 77 1.757 7.648 7.648 507 HD1 TYR 77 HD2 TYR 77 3.456 10.050 10.050 508 HD2 TYR 77 HD1 TYR 77 4.346 5.901 5.901 509 HE1 TYR 77 HE2 TYR 77 5.811 10.470 10.470 510 HE2 TYR 77 HE1 TYR 77 6.701 6.308 6.308 511 HH TYR 77 HH TYR 77 7.873 8.293 8.293 512 H VAL 78 HN VAL 78 -0.581 9.192 9.192 513 HA VAL 78 HA VAL 78 -1.666 7.462 7.462 514 HB VAL 78 HB VAL 78 -2.548 9.587 9.587 515 1HG1 VAL 78 HG11 VAL 78 -2.534 9.871 9.871 516 2HG1 VAL 78 HG13 VAL 78 -3.607 10.889 10.889 517 3HG1 VAL 78 HG12 VAL 78 -1.864 10.952 10.952 518 1HG2 VAL 78 HG22 VAL 78 -4.229 7.626 7.626 519 2HG2 VAL 78 HG21 VAL 78 -4.818 9.230 9.230 520 3HG2 VAL 78 HG23 VAL 78 -4.694 8.767 8.767 521 H ILE 79 HN ILE 79 -2.636 5.683 5.683 522 HA ILE 79 HA ILE 79 -3.056 5.529 5.529 523 HB ILE 79 HB ILE 79 -3.313 2.998 2.998 524 1HG1 ILE 79 HG12 ILE 79 -0.713 4.532 4.532 525 2HG1 ILE 79 HG11 ILE 79 -1.787 4.035 4.035 526 1HG2 ILE 79 HG23 ILE 79 -2.710 3.740 3.740 527 2HG2 ILE 79 HG22 ILE 79 -1.066 3.687 3.687 528 3HG2 ILE 79 HG21 ILE 79 -2.076 2.242 2.242 529 1HD1 ILE 79 HD11 ILE 79 -1.007 1.839 1.839 530 2HD1 ILE 79 HD13 ILE 79 0.343 2.560 2.560 531 3HD1 ILE 79 HD12 ILE 79 -1.033 1.897 1.897 532 H ASN 80 HN ASN 80 -4.789 4.384 4.384 533 HA ASN 80 HA ASN 80 -7.145 3.957 3.957 534 1HB ASN 80 HB2 ASN 80 -7.437 5.681 5.681 535 2HB ASN 80 HB1 ASN 80 -8.527 5.506 5.506 536 1HD2 ASN 80 HD21 ASN 80 -7.995 6.638 6.638 537 2HD2 ASN 80 HD22 ASN 80 -6.854 7.895 7.895 538 H LEU 81 HN LEU 81 -7.665 1.951 1.951 539 HA LEU 81 HA LEU 81 -8.005 1.365 1.365 540 1HB LEU 81 HB2 LEU 81 -5.890 0.342 0.342 541 2HB LEU 81 HB1 LEU 81 -6.220 -0.133 -0.133 542 HG LEU 81 HG LEU 81 -7.969 -1.239 -1.239 543 1HD1 LEU 81 HD13 LEU 81 -5.085 -1.652 -1.652 544 2HD1 LEU 81 HD12 LEU 81 -6.002 -3.152 -3.152 545 3HD1 LEU 81 HD11 LEU 81 -6.189 -2.139 -2.139 546 1HD2 LEU 81 HD21 LEU 81 -7.132 -1.802 -1.802 547 2HD2 LEU 81 HD23 LEU 81 -8.701 -2.032 -2.032 548 3HD2 LEU 81 HD22 LEU 81 -7.412 -3.210 -3.210 549 H THR 82 HN THR 82 -9.962 0.456 0.456 550 HA THR 82 HA THR 82 -11.112 -1.029 -1.029 551 HB THR 82 HB THR 82 -13.274 0.244 0.244 552 HG1 THR 82 HG1 THR 82 -11.466 1.501 1.501 553 1HG2 THR 82 HG23 THR 82 -10.945 0.959 0.959 554 2HG2 THR 82 HG22 THR 82 -11.727 2.426 2.426 555 3HG2 THR 82 HG21 THR 82 -12.638 1.270 1.270 556 H LEU 83 HN LEU 83 -12.336 -2.768 -2.768 557 HA LEU 83 HA LEU 83 -13.175 -3.063 -3.063 558 1HB LEU 83 HB2 LEU 83 -11.016 -4.325 -4.325 559 2HB LEU 83 HB1 LEU 83 -11.927 -5.336 -5.336 560 HG LEU 83 HG LEU 83 -11.609 -6.119 -6.119 561 1HD1 LEU 83 HD11 LEU 83 -13.157 -7.010 -7.010 562 2HD1 LEU 83 HD13 LEU 83 -14.445 -6.182 -6.182 563 3HD1 LEU 83 HD12 LEU 83 -13.522 -7.459 -7.459 564 1HD2 LEU 83 HD23 LEU 83 -12.584 -3.820 -3.820 565 2HD2 LEU 83 HD22 LEU 83 -13.143 -5.277 -5.277 566 3HD2 LEU 83 HD21 LEU 83 -14.148 -4.520 -4.520 567 H ASP 84 HN ASP 84 -15.192 -2.381 -2.381 568 HA ASP 84 HA ASP 84 -17.283 -3.945 -3.945 569 1HB ASP 84 HB2 ASP 84 -15.635 -4.809 -4.809 570 2HB ASP 84 HB1 ASP 84 -17.394 -4.843 -4.843 571 H GLY 85 HN GLY 85 -15.436 -1.687 -1.687 572 1HA GLY 85 HA2 GLY 85 -16.893 0.468 0.468 573 2HA GLY 85 HA1 GLY 85 -17.907 -0.580 -0.580 574 H ASP 86 HN ASP 86 -14.896 -1.785 -1.785 575 HA ASP 86 HA ASP 86 -14.352 0.190 0.190 576 1HB ASP 86 HB2 ASP 86 -14.467 -2.821 -2.821 577 2HB ASP 86 HB1 ASP 86 -13.375 -1.973 -1.973 578 H ASN 87 HN ASN 87 -11.905 -0.271 -0.271 579 HA ASN 87 HA ASN 87 -10.350 -0.569 -0.569 580 1HB ASN 87 HB2 ASN 87 -9.119 0.709 0.709 581 2HB ASN 87 HB1 ASN 87 -8.930 1.113 1.113 582 1HD2 ASN 87 HD22 ASN 87 -11.201 3.776 3.776 583 2HD2 ASN 87 HD21 ASN 87 -9.785 3.154 3.154 584 H VAL 88 HN VAL 88 -8.205 -1.545 -1.545 585 HA VAL 88 HA VAL 88 -8.394 -4.000 -4.000 586 HB VAL 88 HB VAL 88 -6.245 -2.640 -2.640 587 1HG1 VAL 88 HG11 VAL 88 -5.096 -3.669 -3.669 588 2HG1 VAL 88 HG13 VAL 88 -5.830 -5.215 -5.215 589 3HG1 VAL 88 HG12 VAL 88 -4.680 -4.449 -4.449 590 1HG2 VAL 88 HG21 VAL 88 -8.077 -3.976 -3.976 591 2HG2 VAL 88 HG23 VAL 88 -6.485 -4.673 -4.673 592 3HG2 VAL 88 HG22 VAL 88 -7.541 -5.372 -5.372 593 H ASN 89 HN ASN 89 -6.534 -4.649 -4.649 594 HA ASN 89 HA ASN 89 -6.697 -2.747 -2.747 595 1HB ASN 89 HB2 ASN 89 -6.527 -5.476 -5.476 596 2HB ASN 89 HB1 ASN 89 -4.891 -5.037 -5.037 597 1HD2 ASN 89 HD21 ASN 89 -4.729 -5.078 -5.078 598 2HD2 ASN 89 HD22 ASN 89 -5.934 -4.560 -4.560 599 H GLY 90 HN GLY 90 -4.940 -2.129 -2.129 600 1HA GLY 90 HA2 GLY 90 -2.660 -1.155 -1.155 601 2HA GLY 90 HA1 GLY 90 -2.261 -2.177 -2.177 602 H PHE 91 HN PHE 91 -5.065 -0.225 -0.225 603 HA PHE 91 HA PHE 91 -3.555 1.548 1.548 604 1HB PHE 91 HB2 PHE 91 -6.117 0.147 0.147 605 2HB PHE 91 HB1 PHE 91 -6.143 1.821 1.821 606 HD1 PHE 91 HD1 PHE 91 -4.309 -1.391 -1.391 607 HD2 PHE 91 HD2 PHE 91 -5.042 2.445 2.445 608 HE1 PHE 91 HE1 PHE 91 -3.010 -2.045 -2.045 609 HE2 PHE 91 HE2 PHE 91 -3.756 1.809 1.809 610 HZ PHE 91 HZ PHE 91 -2.747 -0.465 -0.465 611 HA PRO 92 HA PRO 92 -6.446 4.568 4.568 612 1HB PRO 92 HB2 PRO 92 -7.619 3.791 3.791 613 2HB PRO 92 HB1 PRO 92 -8.417 3.683 3.683 614 1HG PRO 92 HG2 PRO 92 -7.242 1.506 1.506 615 2HG PRO 92 HG1 PRO 92 -8.537 1.425 1.425 616 1HD PRO 92 HD2 PRO 92 -5.860 0.638 0.638 617 2HD PRO 92 HD1 PRO 92 -7.061 0.878 0.878 618 H LYS 93 HN LYS 93 -3.839 2.975 2.975 619 HA LYS 93 HA LYS 93 -3.235 4.375 4.375 620 1HB LYS 93 HB2 LYS 93 -2.735 1.853 1.853 621 2HB LYS 93 HB1 LYS 93 -1.418 2.448 2.448 622 1HG LYS 93 HG2 LYS 93 -0.270 3.372 3.372 623 2HG LYS 93 HG1 LYS 93 -1.733 3.543 3.543 624 1HD LYS 93 HD2 LYS 93 -1.754 1.284 1.284 625 2HD LYS 93 HD1 LYS 93 -0.769 0.802 0.802 626 1HE LYS 93 HE2 LYS 93 0.902 0.748 0.748 627 2HE LYS 93 HE1 LYS 93 0.957 2.484 2.484 628 1HZ LYS 93 HZ2 LYS 93 -0.907 2.510 2.510 629 2HZ LYS 93 HZ1 LYS 93 -0.204 1.034 1.034 630 3HZ LYS 93 HZ3 LYS 93 0.729 2.451 2.451 631 H THR 94 HN THR 94 -0.853 5.181 5.181 632 HA THR 94 HA THR 94 -0.399 6.563 6.563 633 HB THR 94 HB THR 94 0.048 7.747 7.747 634 HG1 THR 94 HG1 THR 94 -2.202 7.304 7.304 635 1HG2 THR 94 HG23 THR 94 0.060 8.921 8.921 636 2HG2 THR 94 HG22 THR 94 0.256 9.842 9.842 637 3HG2 THR 94 HG21 THR 94 1.474 8.656 8.656 638 H VAL 95 HN VAL 95 1.585 6.356 6.356 639 HA VAL 95 HA VAL 95 3.615 5.123 5.123 640 HB VAL 95 HB VAL 95 3.290 5.222 5.222 641 1HG1 VAL 95 HG13 VAL 95 5.860 4.925 4.925 642 2HG1 VAL 95 HG12 VAL 95 5.626 4.099 4.099 643 3HG1 VAL 95 HG11 VAL 95 5.557 5.857 5.857 644 1HG2 VAL 95 HG21 VAL 95 3.084 3.298 3.298 645 2HG2 VAL 95 HG23 VAL 95 2.747 3.079 3.079 646 3HG2 VAL 95 HG22 VAL 95 4.374 2.806 2.806 647 H THR 96 HN THR 96 5.806 6.105 6.105 648 HA THR 96 HA THR 96 5.610 9.039 9.039 649 HB THR 96 HB THR 96 7.029 7.585 7.585 650 HG1 THR 96 HG1 THR 96 4.547 8.465 8.465 651 1HG2 THR 96 HG22 THR 96 7.306 10.297 10.297 652 2HG2 THR 96 HG21 THR 96 6.986 10.261 10.261 653 3HG2 THR 96 HG23 THR 96 8.380 9.403 9.403 654 H VAL 97 HN VAL 97 7.330 10.152 10.152 655 HA VAL 97 HA VAL 97 9.881 8.777 8.777 656 HB VAL 97 HB VAL 97 8.030 10.100 10.100 657 1HG1 VAL 97 HG11 VAL 97 11.049 9.982 9.982 658 2HG1 VAL 97 HG13 VAL 97 10.014 10.316 10.316 659 3HG1 VAL 97 HG12 VAL 97 10.046 11.436 11.436 660 1HG2 VAL 97 HG23 VAL 97 9.634 7.595 7.595 661 2HG2 VAL 97 HG22 VAL 97 8.002 7.811 7.811 662 3HG2 VAL 97 HG21 VAL 97 9.388 8.252 8.252 663 H LYS 98 HN LYS 98 11.581 10.137 10.137 664 HA LYS 98 HA LYS 98 10.861 12.998 12.998 665 1HB LYS 98 HB2 LYS 98 12.064 11.017 11.017 666 2HB LYS 98 HB1 LYS 98 12.902 12.568 12.568 667 1HG LYS 98 HG2 LYS 98 10.710 13.714 13.714 668 2HG LYS 98 HG1 LYS 98 9.949 12.131 12.131 669 1HD LYS 98 HD2 LYS 98 10.524 12.108 12.108 670 2HD LYS 98 HD1 LYS 98 12.224 12.142 12.142 671 1HE LYS 98 HE2 LYS 98 12.424 14.270 14.270 672 2HE LYS 98 HE1 LYS 98 11.074 14.769 14.769 673 1HZ LYS 98 HZ2 LYS 98 10.120 13.304 13.304 674 2HZ LYS 98 HZ1 LYS 98 11.114 14.568 14.568 675 3HZ LYS 98 HZ3 LYS 98 9.779 14.908 14.908 676 HA PRO 99 HA PRO 99 15.438 13.269 13.269 677 1HB PRO 99 HB2 PRO 99 16.893 10.963 10.963 678 2HB PRO 99 HB1 PRO 99 16.741 11.800 11.800 679 1HG PRO 99 HG2 PRO 99 15.429 9.283 9.283 680 2HG PRO 99 HG1 PRO 99 15.842 9.800 9.800 681 1HD PRO 99 HD2 PRO 99 13.277 9.891 9.891 682 2HD PRO 99 HD1 PRO 99 13.782 10.742 10.742 683 H ALA 100 HN ALA 100 13.894 13.654 13.654 684 HA ALA 100 HA ALA 100 14.164 11.749 11.749 685 1HB ALA 100 HB1 ALA 100 12.206 13.448 13.448 686 2HB ALA 100 HB3 ALA 100 13.247 14.587 14.587 687 3HB ALA 100 HB2 ALA 100 12.703 13.121 13.121 Start of MODEL 11 1 1H ALA 1 HT2 ALA 1 -17.810 -9.667 -9.667 2 2H ALA 1 HT1 ALA 1 -18.563 -8.445 -8.445 3 3H ALA 1 HT3 ALA 1 -19.063 -10.057 -10.057 4 HA ALA 1 HA ALA 1 -17.382 -10.601 -10.601 5 1HB ALA 1 HB1 ALA 1 -18.015 -7.734 -7.734 6 2HB ALA 1 HB3 ALA 1 -16.458 -8.166 -8.166 7 3HB ALA 1 HB2 ALA 1 -17.931 -8.958 -8.958 8 H ASP 2 HN ASP 2 -15.583 -11.491 -11.491 9 HA ASP 2 HA ASP 2 -13.510 -11.657 -11.657 10 1HB ASP 2 HB2 ASP 2 -12.810 -10.836 -10.836 11 2HB ASP 2 HB1 ASP 2 -13.181 -9.180 -9.180 12 HA PRO 3 HA PRO 3 -14.419 -8.165 -8.165 13 1HB PRO 3 HB2 PRO 3 -15.940 -9.551 -9.551 14 2HB PRO 3 HB1 PRO 3 -16.648 -8.644 -8.644 15 1HG PRO 3 HG2 PRO 3 -16.348 -11.593 -11.593 16 2HG PRO 3 HG1 PRO 3 -17.539 -10.687 -10.687 17 1HD PRO 3 HD2 PRO 3 -15.240 -11.992 -11.992 18 2HD PRO 3 HD1 PRO 3 -16.271 -10.831 -10.831 19 H GLU 4 HN GLU 4 -13.000 -11.140 -11.140 20 HA GLU 4 HA GLU 4 -11.503 -10.858 -10.858 21 1HB GLU 4 HB2 GLU 4 -13.533 -12.654 -12.654 22 2HB GLU 4 HB1 GLU 4 -12.124 -13.600 -13.600 23 1HG GLU 4 HG2 GLU 4 -12.044 -11.962 -11.962 24 2HG GLU 4 HG1 GLU 4 -12.814 -13.550 -13.550 25 H LYS 5 HN LYS 5 -11.109 -10.802 -10.802 26 HA LYS 5 HA LYS 5 -8.501 -12.204 -12.204 27 1HB LYS 5 HB2 LYS 5 -10.124 -12.509 -12.509 28 2HB LYS 5 HB1 LYS 5 -8.856 -13.554 -13.554 29 1HG LYS 5 HG2 LYS 5 -11.490 -13.245 -13.245 30 2HG LYS 5 HG1 LYS 5 -11.293 -14.412 -14.412 31 1HD LYS 5 HD2 LYS 5 -9.083 -14.516 -14.516 32 2HD LYS 5 HD1 LYS 5 -10.640 -14.838 -14.838 33 1HE LYS 5 HE2 LYS 5 -10.449 -16.183 -16.183 34 2HE LYS 5 HE1 LYS 5 -9.115 -16.646 -16.646 35 1HZ LYS 5 HZ1 LYS 5 -10.718 -17.147 -17.147 36 2HZ LYS 5 HZ3 LYS 5 -11.997 -16.716 -16.716 37 3HZ LYS 5 HZ2 LYS 5 -11.031 -18.066 -18.066 38 H SER 6 HN SER 6 -9.241 -9.454 -9.454 39 HA SER 6 HA SER 6 -8.262 -8.486 -8.486 40 1HB SER 6 HB2 SER 6 -9.645 -6.800 -6.800 41 2HB SER 6 HB1 SER 6 -9.417 -6.445 -6.445 42 HG SER 6 HG SER 6 -10.955 -8.590 -8.590 43 H TYR 7 HN TYR 7 -6.131 -8.054 -8.054 44 HA TYR 7 HA TYR 7 -5.165 -6.477 -6.477 45 1HB TYR 7 HB2 TYR 7 -3.131 -7.915 -7.915 46 2HB TYR 7 HB1 TYR 7 -4.611 -8.783 -8.783 47 HD1 TYR 7 HD2 TYR 7 -5.803 -10.046 -10.046 48 HD2 TYR 7 HD1 TYR 7 -1.708 -8.755 -8.755 49 HE1 TYR 7 HE2 TYR 7 -5.336 -11.687 -11.687 50 HE2 TYR 7 HE1 TYR 7 -1.242 -10.394 -10.394 51 HH TYR 7 HH TYR 7 -2.098 -12.371 -12.371 52 H ALA 8 HN ALA 8 -3.526 -5.026 -5.026 53 HA ALA 8 HA ALA 8 -2.601 -4.940 -4.940 54 1HB ALA 8 HB2 ALA 8 -4.007 -2.966 -2.966 55 2HB ALA 8 HB1 ALA 8 -2.354 -2.386 -2.386 56 3HB ALA 8 HB3 ALA 8 -3.322 -2.814 -2.814 57 H GLU 9 HN GLU 9 -0.410 -5.303 -5.303 58 HA GLU 9 HA GLU 9 1.275 -4.233 -4.233 59 1HB GLU 9 HB2 GLU 9 2.612 -6.458 -6.458 60 2HB GLU 9 HB1 GLU 9 1.131 -6.469 -6.469 61 1HG GLU 9 HG2 GLU 9 -0.092 -7.159 -7.159 62 2HG GLU 9 HG1 GLU 9 1.495 -7.420 -7.420 63 H GLY 10 HN GLY 10 3.272 -3.503 -3.503 64 1HA GLY 10 HA2 GLY 10 4.377 -4.240 -4.240 65 2HA GLY 10 HA1 GLY 10 3.722 -2.609 -2.609 66 HA PRO 11 HA PRO 11 8.032 -2.531 -2.531 67 1HB PRO 11 HB2 PRO 11 9.300 -1.454 -1.454 68 2HB PRO 11 HB1 PRO 11 9.191 -3.198 -3.198 69 1HG PRO 11 HG2 PRO 11 7.702 -1.536 -1.536 70 2HG PRO 11 HG1 PRO 11 8.109 -3.259 -3.259 71 1HD PRO 11 HD2 PRO 11 5.585 -2.173 -2.173 72 2HD PRO 11 HD1 PRO 11 6.100 -3.855 -3.855 73 H GLY 12 HN GLY 12 5.539 -0.673 -0.673 74 1HA GLY 12 HA2 GLY 12 6.891 1.927 1.927 75 2HA GLY 12 HA1 GLY 12 5.432 1.754 1.754 76 H LEU 13 HN LEU 13 5.607 3.395 3.395 77 HA LEU 13 HA LEU 13 3.950 3.879 3.879 78 1HB LEU 13 HB2 LEU 13 2.107 2.624 2.624 79 2HB LEU 13 HB1 LEU 13 2.787 1.773 1.773 80 HG LEU 13 HG LEU 13 3.853 0.578 0.578 81 1HD1 LEU 13 HD12 LEU 13 1.789 1.725 1.725 82 2HD1 LEU 13 HD11 LEU 13 0.849 0.599 0.599 83 3HD1 LEU 13 HD13 LEU 13 1.940 -0.013 -0.013 84 1HD2 LEU 13 HD21 LEU 13 2.459 -0.150 -0.150 85 2HD2 LEU 13 HD23 LEU 13 3.577 -1.110 -1.110 86 3HD2 LEU 13 HD22 LEU 13 1.860 -1.082 -1.082 87 H ASP 14 HN ASP 14 6.514 1.798 1.798 88 HA ASP 14 HA ASP 14 6.442 1.008 1.008 89 1HB ASP 14 HB2 ASP 14 8.946 1.563 1.563 90 2HB ASP 14 HB1 ASP 14 8.682 0.353 0.353 91 H GLY 15 HN GLY 15 6.981 3.902 3.902 92 1HA GLY 15 HA2 GLY 15 7.373 6.081 6.081 93 2HA GLY 15 HA1 GLY 15 7.410 5.411 5.411 94 H GLY 16 HN GLY 16 9.233 6.059 6.059 95 1HA GLY 16 HA2 GLY 16 11.538 6.224 6.224 96 2HA GLY 16 HA1 GLY 16 11.757 5.002 5.002 97 H GLU 17 HN GLU 17 11.210 6.091 6.091 98 HA GLU 17 HA GLU 17 12.705 8.683 8.683 99 1HB GLU 17 HB2 GLU 17 13.060 6.286 6.286 100 2HB GLU 17 HB1 GLU 17 13.711 7.863 7.863 101 1HG GLU 17 HG2 GLU 17 15.509 7.331 7.331 102 2HG GLU 17 HG1 GLU 17 14.455 7.452 7.452 103 H CYS 18 HN CYS 18 12.063 10.205 10.205 104 HA CYS 18 HA CYS 18 9.467 9.833 9.833 105 1HB CYS 18 HB2 CYS 18 11.155 12.224 12.224 106 2HB CYS 18 HB1 CYS 18 10.075 12.335 12.335 107 HG CYS 18 HG CYS 18 8.710 13.044 13.044 108 H PHE 19 HN PHE 19 12.846 9.946 9.946 109 HA PHE 19 HA PHE 19 12.271 10.546 10.546 110 1HB PHE 19 HB2 PHE 19 14.816 10.167 10.167 111 2HB PHE 19 HB1 PHE 19 14.826 10.155 10.155 112 HD1 PHE 19 HD1 PHE 19 12.843 11.989 11.989 113 HD2 PHE 19 HD2 PHE 19 15.490 12.292 12.292 114 HE1 PHE 19 HE1 PHE 19 12.534 14.441 14.441 115 HE2 PHE 19 HE2 PHE 19 15.179 14.752 14.752 116 HZ PHE 19 HZ PHE 19 13.670 15.804 15.804 117 H GLN 20 HN GLN 20 11.630 7.969 7.969 118 HA GLN 20 HA GLN 20 12.799 6.038 6.038 119 1HB GLN 20 HB2 GLN 20 11.961 5.886 5.886 120 2HB GLN 20 HB1 GLN 20 11.127 4.676 4.676 121 1HG GLN 20 HG2 GLN 20 13.748 4.576 4.576 122 2HG GLN 20 HG1 GLN 20 13.929 4.782 4.782 123 1HE2 GLN 20 HE22 GLN 20 12.886 1.497 1.497 124 2HE2 GLN 20 HE21 GLN 20 13.538 2.956 2.956 125 HA PRO 21 HA PRO 21 8.993 6.155 6.155 126 1HB PRO 21 HB2 PRO 21 8.976 3.600 3.600 127 2HB PRO 21 HB1 PRO 21 9.974 4.918 4.918 128 1HG PRO 21 HG2 PRO 21 10.787 2.594 2.594 129 2HG PRO 21 HG1 PRO 21 11.730 3.483 3.483 130 1HD PRO 21 HD2 PRO 21 11.970 3.822 3.822 131 2HD PRO 21 HD1 PRO 21 12.502 5.005 5.005 132 H SER 22 HN SER 22 6.914 5.948 5.948 133 HA SER 22 HA SER 22 6.552 3.769 3.769 134 1HB SER 22 HB2 SER 22 6.019 6.467 6.467 135 2HB SER 22 HB1 SER 22 4.450 5.749 5.749 136 HG SER 22 HG SER 22 5.604 5.914 5.914 137 H LYS 23 HN LYS 23 5.731 1.989 1.989 138 HA LYS 23 HA LYS 23 3.216 2.333 2.333 139 1HB LYS 23 HB2 LYS 23 5.378 0.656 0.656 140 2HB LYS 23 HB1 LYS 23 3.946 1.343 1.343 141 1HG LYS 23 HG2 LYS 23 5.044 3.642 3.642 142 2HG LYS 23 HG1 LYS 23 6.529 2.703 2.703 143 1HD LYS 23 HD2 LYS 23 4.727 2.877 2.877 144 2HD LYS 23 HD1 LYS 23 6.366 3.511 3.511 145 1HE LYS 23 HE2 LYS 23 7.229 1.223 1.223 146 2HE LYS 23 HE1 LYS 23 5.591 0.584 0.584 147 1HZ LYS 23 HZ3 LYS 23 7.026 2.132 2.132 148 2HZ LYS 23 HZ2 LYS 23 6.795 0.449 0.449 149 3HZ LYS 23 HZ1 LYS 23 5.461 1.493 1.493 150 H PHE 24 HN PHE 24 1.874 0.628 0.628 151 HA PHE 24 HA PHE 24 3.025 -1.925 -1.925 152 1HB PHE 24 HB2 PHE 24 0.594 -1.512 -1.512 153 2HB PHE 24 HB1 PHE 24 2.216 -1.750 -1.750 154 HD1 PHE 24 HD1 PHE 24 3.783 0.394 0.394 155 HD2 PHE 24 HD2 PHE 24 -0.497 0.443 0.443 156 HE1 PHE 24 HE1 PHE 24 3.864 2.757 2.757 157 HE2 PHE 24 HE2 PHE 24 -0.417 2.808 2.808 158 HZ PHE 24 HZ PHE 24 1.780 3.951 3.951 159 H LYS 25 HN LYS 25 1.511 -3.730 -3.730 160 HA LYS 25 HA LYS 25 -0.539 -3.180 -3.180 161 1HB LYS 25 HB2 LYS 25 1.019 -5.734 -5.734 162 2HB LYS 25 HB1 LYS 25 -0.156 -5.495 -5.495 163 1HG LYS 25 HG2 LYS 25 1.344 -3.476 -3.476 164 2HG LYS 25 HG1 LYS 25 2.573 -4.262 -4.262 165 1HD LYS 25 HD2 LYS 25 1.359 -6.261 -6.261 166 2HD LYS 25 HD1 LYS 25 1.801 -4.901 -4.901 167 1HE LYS 25 HE2 LYS 25 3.948 -5.564 -5.564 168 2HE LYS 25 HE1 LYS 25 3.944 -5.282 -5.282 169 1HZ LYS 25 HZ1 LYS 25 2.588 -7.660 -7.660 170 2HZ LYS 25 HZ3 LYS 25 3.980 -7.737 -7.737 171 3HZ LYS 25 HZ2 LYS 25 4.122 -7.456 -7.456 172 H ILE 26 HN ILE 26 -2.611 -4.029 -4.029 173 HA ILE 26 HA ILE 26 -2.979 -5.221 -5.221 174 HB ILE 26 HB ILE 26 -5.139 -3.845 -3.845 175 1HG1 ILE 26 HG12 ILE 26 -2.832 -2.664 -2.664 176 2HG1 ILE 26 HG11 ILE 26 -3.509 -2.149 -2.149 177 1HG2 ILE 26 HG23 ILE 26 -4.581 -4.252 -4.252 178 2HG2 ILE 26 HG22 ILE 26 -5.978 -3.401 -3.401 179 3HG2 ILE 26 HG21 ILE 26 -5.775 -5.129 -5.129 180 1HD1 ILE 26 HD11 ILE 26 -5.635 -1.914 -1.914 181 2HD1 ILE 26 HD13 ILE 26 -4.235 -1.322 -1.322 182 3HD1 ILE 26 HD12 ILE 26 -4.665 -0.594 -0.594 183 H HIS 27 HN HIS 27 -4.390 -6.950 -6.950 184 HA HIS 27 HA HIS 27 -5.398 -8.201 -8.201 185 1HB HIS 27 HB2 HIS 27 -4.140 -9.840 -9.840 186 2HB HIS 27 HB1 HIS 27 -4.450 -10.297 -10.297 187 HD1 HIS 27 HD1 HIS 27 -2.485 -7.545 -7.545 188 HD2 HIS 27 HD2 HIS 27 -2.133 -10.135 -10.135 189 HE1 HIS 27 HE1 HIS 27 -0.259 -7.048 -7.048 190 H ALA 28 HN ALA 28 -7.515 -8.483 -8.483 191 HA ALA 28 HA ALA 28 -8.640 -8.920 -8.920 192 1HB ALA 28 HB3 ALA 28 -9.614 -7.621 -7.621 193 2HB ALA 28 HB2 ALA 28 -10.815 -8.528 -8.528 194 3HB ALA 28 HB1 ALA 28 -9.932 -7.204 -7.204 195 H VAL 29 HN VAL 29 -9.734 -10.853 -10.853 196 HA VAL 29 HA VAL 29 -10.121 -12.720 -12.720 197 HB VAL 29 HB VAL 29 -8.844 -13.213 -13.213 198 1HG1 VAL 29 HG13 VAL 29 -10.497 -15.188 -15.188 199 2HG1 VAL 29 HG12 VAL 29 -9.229 -15.702 -15.702 200 3HG1 VAL 29 HG11 VAL 29 -10.624 -14.810 -14.810 201 1HG2 VAL 29 HG23 VAL 29 -8.346 -13.872 -13.872 202 2HG2 VAL 29 HG22 VAL 29 -7.277 -13.074 -13.074 203 3HG2 VAL 29 HG21 VAL 29 -7.562 -14.811 -14.811 204 H ASP 30 HN ASP 30 -12.185 -13.299 -13.299 205 HA ASP 30 HA ASP 30 -14.058 -12.819 -12.819 206 1HB ASP 30 HB2 ASP 30 -15.681 -12.368 -12.368 207 2HB ASP 30 HB1 ASP 30 -14.261 -11.920 -11.920 208 HA PRO 31 HA PRO 31 -14.971 -17.103 -17.103 209 1HB PRO 31 HB2 PRO 31 -17.691 -17.340 -17.340 210 2HB PRO 31 HB1 PRO 31 -16.911 -16.633 -16.633 211 1HG PRO 31 HG2 PRO 31 -18.380 -15.270 -15.270 212 2HG PRO 31 HG1 PRO 31 -18.100 -14.732 -14.732 213 1HD PRO 31 HD2 PRO 31 -16.707 -13.855 -13.855 214 2HD PRO 31 HD1 PRO 31 -16.270 -13.506 -13.506 215 H ASP 32 HN ASP 32 -14.695 -16.051 -16.051 216 HA ASP 32 HA ASP 32 -15.879 -18.538 -18.538 217 1HB ASP 32 HB2 ASP 32 -17.056 -16.514 -16.514 218 2HB ASP 32 HB1 ASP 32 -15.521 -15.832 -15.832 219 H GLY 33 HN GLY 33 -13.075 -17.498 -17.498 220 1HA GLY 33 HA2 GLY 33 -10.856 -18.090 -18.090 221 2HA GLY 33 HA1 GLY 33 -11.503 -19.017 -19.017 222 H VAL 34 HN VAL 34 -12.288 -15.699 -15.699 223 HA VAL 34 HA VAL 34 -10.537 -14.696 -14.696 224 HB VAL 34 HB VAL 34 -13.399 -13.890 -13.890 225 1HG1 VAL 34 HG11 VAL 34 -11.065 -13.642 -13.642 226 2HG1 VAL 34 HG13 VAL 34 -12.016 -14.839 -14.839 227 3HG1 VAL 34 HG12 VAL 34 -12.698 -13.248 -13.248 228 1HG2 VAL 34 HG22 VAL 34 -12.403 -16.664 -16.664 229 2HG2 VAL 34 HG21 VAL 34 -13.784 -16.238 -16.238 230 3HG2 VAL 34 HG23 VAL 34 -13.841 -15.949 -15.949 231 H HIS 35 HN HIS 35 -10.706 -12.253 -12.253 232 HA HIS 35 HA HIS 35 -10.960 -11.230 -11.230 233 1HB HIS 35 HB2 HIS 35 -10.385 -9.532 -9.532 234 2HB HIS 35 HB1 HIS 35 -9.842 -9.291 -9.291 235 HD1 HIS 35 HD1 HIS 35 -7.508 -10.084 -10.084 236 HD2 HIS 35 HD2 HIS 35 -9.116 -12.000 -12.000 237 HE1 HIS 35 HE1 HIS 35 -5.673 -11.552 -11.552 238 H ARG 36 HN ARG 36 -13.317 -12.070 -12.070 239 HA ARG 36 HA ARG 36 -15.564 -11.492 -11.492 240 1HB ARG 36 HB2 ARG 36 -14.641 -9.455 -9.455 241 2HB ARG 36 HB1 ARG 36 -14.732 -8.602 -8.602 242 1HG ARG 36 HG2 ARG 36 -17.156 -9.592 -9.592 243 2HG ARG 36 HG1 ARG 36 -16.956 -9.762 -9.762 244 1HD ARG 36 HD2 ARG 36 -16.577 -7.406 -7.406 245 2HD ARG 36 HD1 ARG 36 -16.447 -7.164 -7.164 246 HE ARG 36 HE ARG 36 -19.023 -8.175 -8.175 247 1HH1 ARG 36 HH11 ARG 36 -19.693 -7.452 -7.452 248 2HH1 ARG 36 HH12 ARG 36 -19.911 -5.734 -5.734 249 1HH2 ARG 36 HH21 ARG 36 -18.188 -5.192 -5.192 250 2HH2 ARG 36 HH22 ARG 36 -19.059 -4.455 -4.455 251 H THR 37 HN THR 37 -14.877 -12.463 -12.463 252 HA THR 37 HA THR 37 -15.113 -12.356 -12.356 253 HB THR 37 HB THR 37 -17.199 -10.325 -10.325 254 HG1 THR 37 HG1 THR 37 -17.550 -12.370 -12.370 255 1HG2 THR 37 HG23 THR 37 -16.747 -11.781 -11.781 256 2HG2 THR 37 HG22 THR 37 -18.241 -10.937 -10.937 257 3HG2 THR 37 HG21 THR 37 -16.732 -10.037 -10.037 258 H ASP 38 HN ASP 38 -13.050 -11.394 -11.394 259 HA ASP 38 HA ASP 38 -12.099 -8.856 -8.856 260 1HB ASP 38 HB2 ASP 38 -11.378 -10.946 -10.946 261 2HB ASP 38 HB1 ASP 38 -11.829 -9.726 -9.726 262 H GLY 39 HN GLY 39 -12.214 -6.853 -6.853 263 1HA GLY 39 HA2 GLY 39 -13.245 -5.287 -5.287 264 2HA GLY 39 HA1 GLY 39 -14.393 -6.537 -6.537 265 H GLY 40 HN GLY 40 -15.232 -7.279 -7.279 266 1HA GLY 40 HA2 GLY 40 -16.740 -4.793 -4.793 267 2HA GLY 40 HA1 GLY 40 -17.392 -6.421 -6.421 268 H ASP 41 HN ASP 41 -14.195 -5.142 -5.142 269 HA ASP 41 HA ASP 41 -14.702 -6.237 -6.237 270 1HB ASP 41 HB2 ASP 41 -12.117 -4.984 -4.984 271 2HB ASP 41 HB1 ASP 41 -12.351 -6.197 -6.197 272 H GLY 42 HN GLY 42 -15.641 -4.792 -4.792 273 1HA GLY 42 HA2 GLY 42 -15.564 -1.935 -1.935 274 2HA GLY 42 HA1 GLY 42 -16.138 -2.740 -2.740 275 H PHE 43 HN PHE 43 -13.031 -2.324 -2.324 276 HA PHE 43 HA PHE 43 -11.661 -2.166 -2.166 277 1HB PHE 43 HB2 PHE 43 -11.020 -3.268 -3.268 278 2HB PHE 43 HB1 PHE 43 -9.909 -1.925 -1.925 279 HD1 PHE 43 HD1 PHE 43 -9.811 -2.034 -2.034 280 HD2 PHE 43 HD2 PHE 43 -9.547 -5.101 -5.101 281 HE1 PHE 43 HE1 PHE 43 -8.466 -3.440 -3.440 282 HE2 PHE 43 HE2 PHE 43 -8.194 -6.493 -6.493 283 HZ PHE 43 HZ PHE 43 -7.658 -5.666 -5.666 284 H VAL 44 HN VAL 44 -11.661 -0.109 -0.109 285 HA VAL 44 HA VAL 44 -10.908 2.078 2.078 286 HB VAL 44 HB VAL 44 -12.820 3.096 3.096 287 1HG1 VAL 44 HG13 VAL 44 -12.875 0.894 0.894 288 2HG1 VAL 44 HG12 VAL 44 -13.882 2.302 2.302 289 3HG1 VAL 44 HG11 VAL 44 -14.089 1.377 1.377 290 1HG2 VAL 44 HG23 VAL 44 -11.117 4.322 4.322 291 2HG2 VAL 44 HG22 VAL 44 -12.727 4.351 4.351 292 3HG2 VAL 44 HG21 VAL 44 -11.496 3.263 3.263 293 H VAL 45 HN VAL 45 -8.824 2.593 2.593 294 HA VAL 45 HA VAL 45 -7.776 2.490 2.490 295 HB VAL 45 HB VAL 45 -6.039 2.255 2.255 296 1HG1 VAL 45 HG11 VAL 45 -5.822 1.332 1.332 297 2HG1 VAL 45 HG13 VAL 45 -4.621 0.994 0.994 298 3HG1 VAL 45 HG12 VAL 45 -4.929 2.657 2.657 299 1HG2 VAL 45 HG21 VAL 45 -8.079 0.418 0.418 300 2HG2 VAL 45 HG23 VAL 45 -6.762 0.186 0.186 301 3HG2 VAL 45 HG22 VAL 45 -6.566 -0.300 -0.300 302 H THR 46 HN THR 46 -6.312 4.183 4.183 303 HA THR 46 HA THR 46 -5.785 6.316 6.316 304 HB THR 46 HB THR 46 -7.013 7.829 7.829 305 HG1 THR 46 HG1 THR 46 -8.638 6.741 6.741 306 1HG2 THR 46 HG23 THR 46 -8.134 6.864 6.864 307 2HG2 THR 46 HG22 THR 46 -8.683 8.287 8.287 308 3HG2 THR 46 HG21 THR 46 -7.051 8.238 8.238 309 H ILE 47 HN ILE 47 -3.953 7.297 7.297 310 HA ILE 47 HA ILE 47 -3.036 7.167 7.167 311 HB ILE 47 HB ILE 47 -1.548 6.629 6.629 312 1HG1 ILE 47 HG12 ILE 47 -2.084 5.280 5.280 313 2HG1 ILE 47 HG11 ILE 47 -1.747 4.583 4.583 314 1HG2 ILE 47 HG22 ILE 47 -0.312 7.729 7.729 315 2HG2 ILE 47 HG21 ILE 47 0.596 7.064 7.064 316 3HG2 ILE 47 HG23 ILE 47 -0.348 8.532 8.532 317 1HD1 ILE 47 HD12 ILE 47 0.661 5.346 5.346 318 2HD1 ILE 47 HD11 ILE 47 0.251 5.687 5.687 319 3HD1 ILE 47 HD13 ILE 47 0.148 4.037 4.037 320 H GLU 48 HN GLU 48 -1.679 8.965 8.965 321 HA GLU 48 HA GLU 48 -1.160 11.096 11.096 322 1HB GLU 48 HB2 GLU 48 -2.750 12.708 12.708 323 2HB GLU 48 HB1 GLU 48 -3.311 11.915 11.915 324 1HG GLU 48 HG2 GLU 48 -4.469 10.247 10.247 325 2HG GLU 48 HG1 GLU 48 -3.553 10.539 10.539 326 H GLY 49 HN GLY 49 0.016 12.802 12.802 327 1HA GLY 49 HA2 GLY 49 0.572 12.810 12.810 328 2HA GLY 49 HA1 GLY 49 1.931 12.332 12.332 329 HA PRO 50 HA PRO 50 1.813 16.961 16.961 330 1HB PRO 50 HB2 PRO 50 4.372 17.256 17.256 331 2HB PRO 50 HB1 PRO 50 2.943 17.106 17.106 332 1HG PRO 50 HG2 PRO 50 5.051 15.085 15.085 333 2HG PRO 50 HG1 PRO 50 4.028 15.247 15.247 334 1HD PRO 50 HD2 PRO 50 3.644 13.387 13.387 335 2HD PRO 50 HD1 PRO 50 2.452 13.810 13.810 336 H ALA 51 HN ALA 51 1.884 16.152 16.152 337 HA ALA 51 HA ALA 51 4.341 17.219 17.219 338 1HB ALA 51 HB2 ALA 51 4.077 14.431 14.431 339 2HB ALA 51 HB1 ALA 51 3.739 14.727 14.727 340 3HB ALA 51 HB3 ALA 51 5.265 15.264 15.264 341 HA PRO 52 HA PRO 52 1.609 18.266 18.266 342 1HB PRO 52 HB2 PRO 52 3.026 17.654 17.654 343 2HB PRO 52 HB1 PRO 52 3.405 19.028 19.028 344 1HG PRO 52 HG2 PRO 52 4.835 16.425 16.425 345 2HG PRO 52 HG1 PRO 52 5.464 18.001 18.001 346 1HD PRO 52 HD2 PRO 52 4.824 15.850 15.850 347 2HD PRO 52 HD1 PRO 52 5.126 17.528 17.528 348 H VAL 53 HN VAL 53 3.118 15.132 15.132 349 HA VAL 53 HA VAL 53 0.563 14.276 14.276 350 HB VAL 53 HB VAL 53 2.932 12.464 12.464 351 1HG1 VAL 53 HG12 VAL 53 0.862 11.822 11.822 352 2HG1 VAL 53 HG11 VAL 53 1.012 13.248 13.248 353 3HG1 VAL 53 HG13 VAL 53 2.218 11.965 11.965 354 1HG2 VAL 53 HG21 VAL 53 2.951 15.180 15.180 355 2HG2 VAL 53 HG23 VAL 53 4.302 14.154 14.154 356 3HG2 VAL 53 HG22 VAL 53 3.511 13.899 13.899 357 H ASP 54 HN ASP 54 -0.462 14.233 14.233 358 HA ASP 54 HA ASP 54 0.519 12.056 12.056 359 1HB ASP 54 HB2 ASP 54 -1.713 14.069 14.069 360 2HB ASP 54 HB1 ASP 54 -1.280 12.849 12.849 361 HA PRO 55 HA PRO 55 -3.788 10.327 10.327 362 1HB PRO 55 HB2 PRO 55 -5.164 11.544 11.544 363 2HB PRO 55 HB1 PRO 55 -5.310 12.030 12.030 364 1HG PRO 55 HG2 PRO 55 -3.907 13.416 13.416 365 2HG PRO 55 HG1 PRO 55 -4.573 14.090 14.090 366 1HD PRO 55 HD2 PRO 55 -1.833 13.521 13.521 367 2HD PRO 55 HD1 PRO 55 -2.539 13.976 13.976 368 H VAL 56 HN VAL 56 -2.589 8.553 8.553 369 HA VAL 56 HA VAL 56 -2.612 8.588 8.588 370 HB VAL 56 HB VAL 56 -0.353 7.463 7.463 371 1HG1 VAL 56 HG12 VAL 56 -1.141 7.441 7.441 372 2HG1 VAL 56 HG11 VAL 56 0.368 8.341 8.341 373 3HG1 VAL 56 HG13 VAL 56 0.267 6.683 6.683 374 1HG2 VAL 56 HG21 VAL 56 -0.730 10.239 10.239 375 2HG2 VAL 56 HG23 VAL 56 -0.270 9.805 9.805 376 3HG2 VAL 56 HG22 VAL 56 0.871 9.572 9.572 377 H MET 57 HN MET 57 -4.343 7.037 7.037 378 HA MET 57 HA MET 57 -3.420 4.335 4.335 379 1HB MET 57 HB2 MET 57 -5.384 3.749 3.749 380 2HB MET 57 HB1 MET 57 -4.892 5.308 5.308 381 1HG MET 57 HG2 MET 57 -6.890 5.045 5.045 382 2HG MET 57 HG1 MET 57 -7.371 5.072 5.072 383 1HE MET 57 HE2 MET 57 -8.826 6.617 6.617 384 2HE MET 57 HE1 MET 57 -8.630 8.260 8.260 385 3HE MET 57 HE3 MET 57 -8.361 7.904 7.904 386 H VAL 58 HN VAL 58 -3.936 2.785 2.785 387 HA VAL 58 HA VAL 58 -5.917 3.495 3.495 388 HB VAL 58 HB VAL 58 -3.603 1.872 1.872 389 1HG1 VAL 58 HG11 VAL 58 -5.661 3.551 3.551 390 2HG1 VAL 58 HG13 VAL 58 -4.086 4.144 4.144 391 3HG1 VAL 58 HG12 VAL 58 -4.550 2.472 2.472 392 1HG2 VAL 58 HG21 VAL 58 -2.591 3.659 3.659 393 2HG2 VAL 58 HG23 VAL 58 -2.062 3.723 3.723 394 3HG2 VAL 58 HG22 VAL 58 -3.274 4.862 4.862 395 H ASP 59 HN ASP 59 -6.813 1.629 1.629 396 HA ASP 59 HA ASP 59 -6.733 -0.859 -0.859 397 1HB ASP 59 HB2 ASP 59 -8.955 -0.076 -0.076 398 2HB ASP 59 HB1 ASP 59 -8.903 0.474 0.474 399 H ASN 60 HN ASN 60 -5.933 -2.677 -2.677 400 HA ASN 60 HA ASN 60 -5.174 -2.437 -2.437 401 1HB ASN 60 HB2 ASN 60 -4.315 -4.038 -4.038 402 2HB ASN 60 HB1 ASN 60 -4.433 -4.974 -4.974 403 1HD2 ASN 60 HD22 ASN 60 -2.023 -1.662 -1.662 404 2HD2 ASN 60 HD21 ASN 60 -3.562 -1.508 -1.508 405 H GLY 61 HN GLY 61 -7.898 -3.503 -3.503 406 1HA GLY 61 HA2 GLY 61 -9.756 -4.696 -4.696 407 2HA GLY 61 HA1 GLY 61 -9.045 -4.599 -4.599 408 H ASP 62 HN ASP 62 -6.863 -5.964 -5.964 409 HA ASP 62 HA ASP 62 -7.574 -8.685 -8.685 410 1HB ASP 62 HB2 ASP 62 -5.225 -9.266 -9.266 411 2HB ASP 62 HB1 ASP 62 -5.334 -7.798 -7.798 412 H GLY 63 HN GLY 63 -8.732 -7.339 -7.339 413 1HA GLY 63 HA2 GLY 63 -9.436 -8.130 -8.130 414 2HA GLY 63 HA1 GLY 63 -8.414 -9.542 -9.542 415 H THR 64 HN THR 64 -6.567 -6.836 -6.836 416 HA THR 64 HA THR 64 -5.749 -6.581 -6.581 417 HB THR 64 HB THR 64 -3.352 -6.495 -6.495 418 HG1 THR 64 HG1 THR 64 -3.368 -8.022 -8.022 419 1HG2 THR 64 HG21 THR 64 -4.967 -9.053 -9.053 420 2HG2 THR 64 HG23 THR 64 -3.205 -9.015 -9.015 421 3HG2 THR 64 HG22 THR 64 -4.061 -8.345 -8.345 422 H TYR 65 HN TYR 65 -4.764 -4.541 -4.541 423 HA TYR 65 HA TYR 65 -5.078 -2.505 -2.505 424 1HB TYR 65 HB2 TYR 65 -5.719 -2.298 -2.298 425 2HB TYR 65 HB1 TYR 65 -5.697 -0.915 -0.915 426 HD1 TYR 65 HD1 TYR 65 -7.019 -4.435 -4.435 427 HD2 TYR 65 HD2 TYR 65 -7.726 -0.319 -0.319 428 HE1 TYR 65 HE1 TYR 65 -9.241 -5.028 -5.028 429 HE2 TYR 65 HE2 TYR 65 -9.960 -0.908 -0.908 430 HH TYR 65 HH TYR 65 -11.615 -2.637 -2.637 431 H ASP 66 HN ASP 66 -3.612 -0.676 -0.676 432 HA ASP 66 HA ASP 66 -1.209 -1.157 -1.157 433 1HB ASP 66 HB2 ASP 66 -0.940 -0.086 -0.086 434 2HB ASP 66 HB1 ASP 66 0.264 -0.902 -0.902 435 H VAL 67 HN VAL 67 -0.763 0.631 0.631 436 HA VAL 67 HA VAL 67 -1.757 3.232 3.232 437 HB VAL 67 HB VAL 67 -2.252 3.904 3.904 438 1HG1 VAL 67 HG11 VAL 67 -2.870 0.994 0.994 439 2HG1 VAL 67 HG13 VAL 67 -3.364 1.774 1.774 440 3HG1 VAL 67 HG12 VAL 67 -3.967 2.374 2.374 441 1HG2 VAL 67 HG23 VAL 67 -0.464 1.643 1.643 442 2HG2 VAL 67 HG22 VAL 67 -0.263 3.365 3.365 443 3HG2 VAL 67 HG21 VAL 67 -1.542 2.456 2.456 444 H GLU 68 HN GLU 68 -0.239 5.070 5.070 445 HA GLU 68 HA GLU 68 2.463 4.393 4.393 446 1HB GLU 68 HB2 GLU 68 2.935 5.689 5.689 447 2HB GLU 68 HB1 GLU 68 3.371 4.048 4.048 448 1HG GLU 68 HG2 GLU 68 0.556 4.631 4.631 449 2HG GLU 68 HG1 GLU 68 1.826 4.500 4.500 450 H PHE 69 HN PHE 69 3.166 6.130 6.130 451 HA PHE 69 HA PHE 69 2.674 8.826 8.826 452 1HB PHE 69 HB2 PHE 69 2.123 9.834 9.834 453 2HB PHE 69 HB1 PHE 69 1.043 8.459 8.459 454 HD1 PHE 69 HD2 PHE 69 2.180 6.151 6.151 455 HD2 PHE 69 HD1 PHE 69 3.112 10.120 10.120 456 HE1 PHE 69 HE2 PHE 69 3.030 5.243 5.243 457 HE2 PHE 69 HE1 PHE 69 3.955 9.207 9.207 458 HZ PHE 69 HZ PHE 69 3.894 6.748 6.748 459 H GLU 70 HN GLU 70 4.406 10.381 10.381 460 HA GLU 70 HA GLU 70 6.733 9.138 9.138 461 1HB GLU 70 HB2 GLU 70 8.221 9.464 9.464 462 2HB GLU 70 HB1 GLU 70 6.832 8.542 8.542 463 1HG GLU 70 HG2 GLU 70 5.908 11.017 11.017 464 2HG GLU 70 HG1 GLU 70 7.636 11.341 11.341 465 HA PRO 71 HA PRO 71 6.561 13.538 13.538 466 1HB PRO 71 HB2 PRO 71 7.648 13.109 13.109 467 2HB PRO 71 HB1 PRO 71 5.926 12.917 12.917 468 1HG PRO 71 HG2 PRO 71 7.992 10.812 10.812 469 2HG PRO 71 HG1 PRO 71 6.243 10.736 10.736 470 1HD PRO 71 HD2 PRO 71 7.659 9.654 9.654 471 2HD PRO 71 HD1 PRO 71 5.899 9.861 9.861 472 H LYS 72 HN LYS 72 8.395 15.026 15.026 473 HA LYS 72 HA LYS 72 11.080 13.983 13.983 474 1HB LYS 72 HB2 LYS 72 10.127 16.789 16.789 475 2HB LYS 72 HB1 LYS 72 11.565 15.997 15.997 476 1HG LYS 72 HG2 LYS 72 9.660 14.267 14.267 477 2HG LYS 72 HG1 LYS 72 8.736 15.770 15.770 478 1HD LYS 72 HD2 LYS 72 10.968 16.677 16.677 479 2HD LYS 72 HD1 LYS 72 11.103 14.982 14.982 480 1HE LYS 72 HE2 LYS 72 9.559 15.297 15.297 481 2HE LYS 72 HE1 LYS 72 8.388 15.790 15.790 482 1HZ LYS 72 HZ2 LYS 72 10.446 17.635 17.635 483 2HZ LYS 72 HZ1 LYS 72 8.920 17.467 17.467 484 3HZ LYS 72 HZ3 LYS 72 9.039 18.020 18.020 485 H GLU 73 HN GLU 73 9.697 14.722 14.722 486 HA GLU 73 HA GLU 73 12.141 15.991 15.991 487 1HB GLU 73 HB2 GLU 73 10.872 17.815 17.815 488 2HB GLU 73 HB1 GLU 73 10.753 17.915 17.915 489 1HG GLU 73 HG2 GLU 73 8.543 17.132 17.132 490 2HG GLU 73 HG1 GLU 73 8.675 16.400 16.400 491 H ALA 74 HN ALA 74 10.289 16.658 16.658 492 HA ALA 74 HA ALA 74 10.399 13.913 13.913 493 1HB ALA 74 HB2 ALA 74 11.313 16.286 16.286 494 2HB ALA 74 HB1 ALA 74 9.713 16.176 16.176 495 3HB ALA 74 HB3 ALA 74 10.886 14.881 14.881 496 H GLY 75 HN GLY 75 8.482 12.826 12.826 497 1HA GLY 75 HA2 GLY 75 6.020 14.326 14.326 498 2HA GLY 75 HA1 GLY 75 6.115 13.657 13.657 499 H ASP 76 HN ASP 76 4.156 12.938 12.938 500 HA ASP 76 HA ASP 76 4.892 10.103 10.103 501 1HB ASP 76 HB2 ASP 76 2.974 10.186 10.186 502 2HB ASP 76 HB1 ASP 76 4.303 11.262 11.262 503 H TYR 77 HN TYR 77 3.193 8.560 8.560 504 HA TYR 77 HA TYR 77 1.492 9.564 9.564 505 1HB TYR 77 HB2 TYR 77 2.236 6.686 6.686 506 2HB TYR 77 HB1 TYR 77 1.668 7.461 7.461 507 HD1 TYR 77 HD1 TYR 77 3.410 9.962 9.962 508 HD2 TYR 77 HD2 TYR 77 4.244 5.768 5.768 509 HE1 TYR 77 HE1 TYR 77 5.722 10.367 10.367 510 HE2 TYR 77 HE2 TYR 77 6.554 6.160 6.160 511 HH TYR 77 HH TYR 77 7.763 7.914 7.914 512 H VAL 78 HN VAL 78 -0.613 9.150 9.150 513 HA VAL 78 HA VAL 78 -1.706 7.496 7.496 514 HB VAL 78 HB VAL 78 -2.533 9.649 9.649 515 1HG1 VAL 78 HG11 VAL 78 -2.302 9.908 9.908 516 2HG1 VAL 78 HG13 VAL 78 -3.682 10.750 10.750 517 3HG1 VAL 78 HG12 VAL 78 -2.049 11.118 11.118 518 1HG2 VAL 78 HG21 VAL 78 -4.257 7.665 7.665 519 2HG2 VAL 78 HG23 VAL 78 -4.748 9.173 9.173 520 3HG2 VAL 78 HG22 VAL 78 -4.795 9.027 9.027 521 H ILE 79 HN ILE 79 -2.774 5.742 5.742 522 HA ILE 79 HA ILE 79 -3.209 5.530 5.530 523 HB ILE 79 HB ILE 79 -3.432 3.001 3.001 524 1HG1 ILE 79 HG12 ILE 79 -0.838 4.533 4.533 525 2HG1 ILE 79 HG11 ILE 79 -1.964 4.083 4.083 526 1HG2 ILE 79 HG23 ILE 79 -2.929 3.410 3.410 527 2HG2 ILE 79 HG22 ILE 79 -1.360 4.063 4.063 528 3HG2 ILE 79 HG21 ILE 79 -1.739 2.369 2.369 529 1HD1 ILE 79 HD11 ILE 79 -1.156 1.845 1.845 530 2HD1 ILE 79 HD13 ILE 79 0.161 2.549 2.549 531 3HD1 ILE 79 HD12 ILE 79 -1.266 1.922 1.922 532 H ASN 80 HN ASN 80 -4.900 4.325 4.325 533 HA ASN 80 HA ASN 80 -7.268 3.869 3.869 534 1HB ASN 80 HB2 ASN 80 -7.586 5.521 5.521 535 2HB ASN 80 HB1 ASN 80 -8.690 5.335 5.335 536 1HD2 ASN 80 HD22 ASN 80 -7.323 8.013 8.013 537 2HD2 ASN 80 HD21 ASN 80 -8.536 6.832 6.832 538 H LEU 81 HN LEU 81 -7.716 1.833 1.833 539 HA LEU 81 HA LEU 81 -7.776 1.125 1.125 540 1HB LEU 81 HB2 LEU 81 -5.648 0.251 0.251 541 2HB LEU 81 HB1 LEU 81 -6.434 -0.437 -0.437 542 HG LEU 81 HG LEU 81 -5.843 -1.923 -1.923 543 1HD1 LEU 81 HD12 LEU 81 -6.922 -2.574 -2.574 544 2HD1 LEU 81 HD11 LEU 81 -8.485 -2.181 -2.181 545 3HD1 LEU 81 HD13 LEU 81 -7.509 -3.484 -3.484 546 1HD2 LEU 81 HD21 LEU 81 -7.606 -0.245 -0.245 547 2HD2 LEU 81 HD23 LEU 81 -7.325 -1.904 -1.904 548 3HD2 LEU 81 HD22 LEU 81 -8.695 -1.524 -1.524 549 H THR 82 HN THR 82 -9.788 0.346 0.346 550 HA THR 82 HA THR 82 -11.199 -1.044 -1.044 551 HB THR 82 HB THR 82 -13.267 0.240 0.240 552 HG1 THR 82 HG1 THR 82 -11.440 1.102 1.102 553 1HG2 THR 82 HG23 THR 82 -11.230 0.872 0.872 554 2HG2 THR 82 HG22 THR 82 -11.829 2.367 2.367 555 3HG2 THR 82 HG21 THR 82 -12.951 1.253 1.253 556 H LEU 83 HN LEU 83 -12.374 -2.806 -2.806 557 HA LEU 83 HA LEU 83 -13.143 -3.208 -3.208 558 1HB LEU 83 HB2 LEU 83 -10.945 -4.392 -4.392 559 2HB LEU 83 HB1 LEU 83 -11.807 -5.415 -5.415 560 HG LEU 83 HG LEU 83 -11.521 -6.279 -6.279 561 1HD1 LEU 83 HD11 LEU 83 -13.115 -7.118 -7.118 562 2HD1 LEU 83 HD13 LEU 83 -14.370 -6.213 -6.213 563 3HD1 LEU 83 HD12 LEU 83 -13.526 -7.524 -7.524 564 1HD2 LEU 83 HD21 LEU 83 -12.439 -3.955 -3.955 565 2HD2 LEU 83 HD23 LEU 83 -12.946 -5.424 -5.424 566 3HD2 LEU 83 HD22 LEU 83 -14.019 -4.663 -4.663 567 H ASP 84 HN ASP 84 -15.224 -2.636 -2.636 568 HA ASP 84 HA ASP 84 -17.220 -4.310 -4.310 569 1HB ASP 84 HB2 ASP 84 -15.543 -4.976 -4.976 570 2HB ASP 84 HB1 ASP 84 -17.299 -5.110 -5.110 571 H GLY 85 HN GLY 85 -15.544 -1.835 -1.835 572 1HA GLY 85 HA2 GLY 85 -17.018 0.251 0.251 573 2HA GLY 85 HA1 GLY 85 -18.108 -0.802 -0.802 574 H ASP 86 HN ASP 86 -14.964 -1.810 -1.810 575 HA ASP 86 HA ASP 86 -14.707 0.035 0.035 576 1HB ASP 86 HB2 ASP 86 -15.165 -2.835 -2.835 577 2HB ASP 86 HB1 ASP 86 -13.622 -2.451 -2.451 578 H ASN 87 HN ASN 87 -12.297 -0.457 -0.457 579 HA ASN 87 HA ASN 87 -10.570 -0.478 -0.478 580 1HB ASN 87 HB2 ASN 87 -10.217 0.901 0.901 581 2HB ASN 87 HB1 ASN 87 -8.949 0.814 0.814 582 1HD2 ASN 87 HD22 ASN 87 -12.249 3.161 3.161 583 2HD2 ASN 87 HD21 ASN 87 -12.348 1.923 1.923 584 H VAL 88 HN VAL 88 -8.451 -1.521 -1.521 585 HA VAL 88 HA VAL 88 -8.632 -4.018 -4.018 586 HB VAL 88 HB VAL 88 -6.480 -2.630 -2.630 587 1HG1 VAL 88 HG11 VAL 88 -5.328 -3.646 -3.646 588 2HG1 VAL 88 HG13 VAL 88 -6.060 -5.197 -5.197 589 3HG1 VAL 88 HG12 VAL 88 -4.908 -4.445 -4.445 590 1HG2 VAL 88 HG22 VAL 88 -8.361 -4.052 -4.052 591 2HG2 VAL 88 HG21 VAL 88 -6.728 -4.535 -4.535 592 3HG2 VAL 88 HG23 VAL 88 -7.600 -5.437 -5.437 593 H ASN 89 HN ASN 89 -6.789 -4.685 -4.685 594 HA ASN 89 HA ASN 89 -6.968 -2.779 -2.779 595 1HB ASN 89 HB2 ASN 89 -6.098 -5.600 -5.600 596 2HB ASN 89 HB1 ASN 89 -5.406 -4.709 -4.709 597 1HD2 ASN 89 HD22 ASN 89 -8.321 -5.227 -5.227 598 2HD2 ASN 89 HD21 ASN 89 -6.627 -5.150 -5.150 599 H GLY 90 HN GLY 90 -5.196 -2.121 -2.121 600 1HA GLY 90 HA2 GLY 90 -2.898 -1.256 -1.256 601 2HA GLY 90 HA1 GLY 90 -2.514 -2.250 -2.250 602 H PHE 91 HN PHE 91 -5.255 -0.233 -0.233 603 HA PHE 91 HA PHE 91 -3.623 1.560 1.560 604 1HB PHE 91 HB2 PHE 91 -6.219 0.237 0.237 605 2HB PHE 91 HB1 PHE 91 -6.144 1.905 1.905 606 HD1 PHE 91 HD2 PHE 91 -4.708 -1.468 -1.468 607 HD2 PHE 91 HD1 PHE 91 -4.646 2.542 2.542 608 HE1 PHE 91 HE2 PHE 91 -3.331 -2.195 -2.195 609 HE2 PHE 91 HE1 PHE 91 -3.267 1.839 1.839 610 HZ PHE 91 HZ PHE 91 -2.612 -0.551 -0.551 611 HA PRO 92 HA PRO 92 -6.498 4.590 4.590 612 1HB PRO 92 HB2 PRO 92 -7.554 3.798 3.798 613 2HB PRO 92 HB1 PRO 92 -8.424 3.679 3.679 614 1HG PRO 92 HG2 PRO 92 -7.150 1.519 1.519 615 2HG PRO 92 HG1 PRO 92 -8.497 1.420 1.420 616 1HD PRO 92 HD2 PRO 92 -5.827 0.664 0.664 617 2HD PRO 92 HD1 PRO 92 -7.092 0.879 0.879 618 H LYS 93 HN LYS 93 -3.866 2.990 2.990 619 HA LYS 93 HA LYS 93 -3.119 4.352 4.352 620 1HB LYS 93 HB2 LYS 93 -2.569 1.997 1.997 621 2HB LYS 93 HB1 LYS 93 -1.869 2.127 2.127 622 1HG LYS 93 HG2 LYS 93 -0.071 3.548 3.548 623 2HG LYS 93 HG1 LYS 93 -0.793 3.532 3.532 624 1HD LYS 93 HD2 LYS 93 1.123 1.887 1.887 625 2HD LYS 93 HD1 LYS 93 -0.372 1.190 1.190 626 1HE LYS 93 HE2 LYS 93 -0.784 0.019 0.019 627 2HE LYS 93 HE1 LYS 93 -0.162 1.302 1.302 628 1HZ LYS 93 HZ3 LYS 93 1.934 0.238 0.238 629 2HZ LYS 93 HZ2 LYS 93 1.127 -1.033 -1.033 630 3HZ LYS 93 HZ1 LYS 93 1.768 0.257 0.257 631 H THR 94 HN THR 94 -0.879 5.290 5.290 632 HA THR 94 HA THR 94 -0.418 6.601 6.601 633 HB THR 94 HB THR 94 0.015 7.807 7.807 634 HG1 THR 94 HG1 THR 94 -2.221 7.390 7.390 635 1HG2 THR 94 HG22 THR 94 1.159 8.467 8.467 636 2HG2 THR 94 HG21 THR 94 -0.265 9.506 9.506 637 3HG2 THR 94 HG23 THR 94 0.907 9.591 9.591 638 H VAL 95 HN VAL 95 1.558 6.353 6.353 639 HA VAL 95 HA VAL 95 3.615 5.197 5.197 640 HB VAL 95 HB VAL 95 3.264 5.149 5.149 641 1HG1 VAL 95 HG11 VAL 95 5.850 4.956 4.956 642 2HG1 VAL 95 HG13 VAL 95 5.604 4.026 4.026 643 3HG1 VAL 95 HG12 VAL 95 5.526 5.785 5.785 644 1HG2 VAL 95 HG22 VAL 95 3.005 3.349 3.349 645 2HG2 VAL 95 HG21 VAL 95 2.790 3.005 3.005 646 3HG2 VAL 95 HG23 VAL 95 4.374 2.806 2.806 647 H THR 96 HN THR 96 5.827 6.176 6.176 648 HA THR 96 HA THR 96 5.619 9.077 9.077 649 HB THR 96 HB THR 96 7.274 7.929 7.929 650 HG1 THR 96 HG1 THR 96 5.377 7.552 7.552 651 1HG2 THR 96 HG22 THR 96 7.752 10.235 10.235 652 2HG2 THR 96 HG21 THR 96 6.148 10.707 10.707 653 3HG2 THR 96 HG23 THR 96 7.373 10.196 10.196 654 H VAL 97 HN VAL 97 7.315 10.151 10.151 655 HA VAL 97 HA VAL 97 9.828 8.670 8.670 656 HB VAL 97 HB VAL 97 8.041 10.142 10.142 657 1HG1 VAL 97 HG13 VAL 97 11.058 10.023 10.023 658 2HG1 VAL 97 HG12 VAL 97 10.069 10.252 10.252 659 3HG1 VAL 97 HG11 VAL 97 10.034 11.453 11.453 660 1HG2 VAL 97 HG21 VAL 97 9.698 7.643 7.643 661 2HG2 VAL 97 HG23 VAL 97 8.005 7.824 7.824 662 3HG2 VAL 97 HG22 VAL 97 9.274 8.348 8.348 663 H LYS 98 HN LYS 98 11.687 9.985 9.985 664 HA LYS 98 HA LYS 98 11.299 12.466 12.466 665 1HB LYS 98 HB2 LYS 98 13.150 10.303 10.303 666 2HB LYS 98 HB1 LYS 98 14.054 11.766 11.766 667 1HG LYS 98 HG2 LYS 98 14.099 11.982 11.982 668 2HG LYS 98 HG1 LYS 98 12.504 12.690 12.690 669 1HD LYS 98 HD2 LYS 98 11.580 10.309 10.309 670 2HD LYS 98 HD1 LYS 98 13.171 9.864 9.864 671 1HE LYS 98 HE2 LYS 98 11.370 12.012 12.012 672 2HE LYS 98 HE1 LYS 98 11.635 10.410 10.410 673 1HZ LYS 98 HZ3 LYS 98 13.817 12.351 12.351 674 2HZ LYS 98 HZ2 LYS 98 13.024 12.213 12.213 675 3HZ LYS 98 HZ1 LYS 98 13.913 10.903 10.903 676 HA PRO 99 HA PRO 99 12.674 15.288 15.288 677 1HB PRO 99 HB2 PRO 99 15.029 16.432 16.432 678 2HB PRO 99 HB1 PRO 99 13.417 16.852 16.852 679 1HG PRO 99 HG2 PRO 99 15.527 15.162 15.162 680 2HG PRO 99 HG1 PRO 99 14.282 16.168 16.168 681 1HD PRO 99 HD2 PRO 99 14.162 13.402 13.402 682 2HD PRO 99 HD1 PRO 99 12.750 14.441 14.441 683 H ALA 100 HN ALA 100 12.996 13.650 13.650 684 HA ALA 100 HA ALA 100 15.049 12.001 12.001 685 1HB ALA 100 HB3 ALA 100 12.905 12.755 12.755 686 2HB ALA 100 HB2 ALA 100 14.038 13.809 13.809 687 3HB ALA 100 HB1 ALA 100 14.274 12.061 12.061 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 -18.508 -11.566 -11.566 2 2H ALA 1 HT3 ALA 1 -19.685 -11.265 -11.265 3 3H ALA 1 HT2 ALA 1 -18.682 -12.630 -12.630 4 HA ALA 1 HA ALA 1 -17.746 -11.156 -11.156 5 1HB ALA 1 HB2 ALA 1 -19.174 -9.234 -9.234 6 2HB ALA 1 HB1 ALA 1 -17.788 -8.936 -8.936 7 3HB ALA 1 HB3 ALA 1 -17.611 -8.821 -8.821 8 H ASP 2 HN ASP 2 -15.784 -9.245 -9.245 9 HA ASP 2 HA ASP 2 -13.938 -11.175 -11.175 10 1HB ASP 2 HB2 ASP 2 -13.225 -10.747 -10.747 11 2HB ASP 2 HB1 ASP 2 -13.365 -9.009 -9.009 12 HA PRO 3 HA PRO 3 -14.238 -7.178 -7.178 13 1HB PRO 3 HB2 PRO 3 -15.843 -8.065 -8.065 14 2HB PRO 3 HB1 PRO 3 -16.476 -7.233 -7.233 15 1HG PRO 3 HG2 PRO 3 -16.570 -10.145 -10.145 16 2HG PRO 3 HG1 PRO 3 -17.711 -9.175 -9.175 17 1HD PRO 3 HD2 PRO 3 -15.790 -10.906 -10.906 18 2HD PRO 3 HD1 PRO 3 -16.611 -9.590 -9.590 19 H GLU 4 HN GLU 4 -13.292 -10.363 -10.363 20 HA GLU 4 HA GLU 4 -11.666 -9.921 -9.921 21 1HB GLU 4 HB2 GLU 4 -13.869 -11.637 -11.637 22 2HB GLU 4 HB1 GLU 4 -12.444 -12.673 -12.673 23 1HG GLU 4 HG2 GLU 4 -12.809 -10.554 -10.554 24 2HG GLU 4 HG1 GLU 4 -13.326 -12.227 -12.227 25 H LYS 5 HN LYS 5 -11.333 -10.227 -10.227 26 HA LYS 5 HA LYS 5 -8.877 -11.862 -11.862 27 1HB LYS 5 HB2 LYS 5 -11.218 -12.898 -12.898 28 2HB LYS 5 HB1 LYS 5 -10.201 -12.430 -12.430 29 1HG LYS 5 HG2 LYS 5 -8.704 -14.081 -14.081 30 2HG LYS 5 HG1 LYS 5 -8.707 -13.765 -13.765 31 1HD LYS 5 HD2 LYS 5 -11.227 -14.921 -14.921 32 2HD LYS 5 HD1 LYS 5 -9.838 -15.976 -15.976 33 1HE LYS 5 HE2 LYS 5 -9.707 -14.748 -14.748 34 2HE LYS 5 HE1 LYS 5 -11.227 -15.616 -15.616 35 1HZ LYS 5 HZ1 LYS 5 -9.940 -17.544 -17.544 36 2HZ LYS 5 HZ3 LYS 5 -8.500 -16.705 -16.705 37 3HZ LYS 5 HZ2 LYS 5 -9.549 -17.099 -17.099 38 H SER 6 HN SER 6 -9.459 -9.029 -9.029 39 HA SER 6 HA SER 6 -8.314 -8.536 -8.536 40 1HB SER 6 HB2 SER 6 -9.632 -6.414 -6.414 41 2HB SER 6 HB1 SER 6 -9.392 -6.450 -6.450 42 HG SER 6 HG SER 6 -11.069 -8.191 -8.191 43 H TYR 7 HN TYR 7 -6.151 -8.166 -8.166 44 HA TYR 7 HA TYR 7 -5.252 -6.445 -6.445 45 1HB TYR 7 HB2 TYR 7 -3.110 -7.916 -7.916 46 2HB TYR 7 HB1 TYR 7 -4.541 -8.561 -8.561 47 HD1 TYR 7 HD1 TYR 7 -6.081 -10.118 -10.118 48 HD2 TYR 7 HD2 TYR 7 -2.215 -8.962 -8.962 49 HE1 TYR 7 HE1 TYR 7 -6.114 -12.029 -12.029 50 HE2 TYR 7 HE2 TYR 7 -2.249 -10.872 -10.872 51 HH TYR 7 HH TYR 7 -4.991 -13.153 -13.153 52 H ALA 8 HN ALA 8 -3.549 -5.025 -5.025 53 HA ALA 8 HA ALA 8 -2.598 -4.917 -4.917 54 1HB ALA 8 HB1 ALA 8 -4.002 -2.919 -2.919 55 2HB ALA 8 HB3 ALA 8 -2.361 -2.353 -2.353 56 3HB ALA 8 HB2 ALA 8 -3.398 -2.818 -2.818 57 H GLU 9 HN GLU 9 -0.397 -5.158 -5.158 58 HA GLU 9 HA GLU 9 1.241 -4.059 -4.059 59 1HB GLU 9 HB2 GLU 9 2.539 -6.163 -6.163 60 2HB GLU 9 HB1 GLU 9 0.849 -6.411 -6.411 61 1HG GLU 9 HG2 GLU 9 0.379 -7.269 -7.269 62 2HG GLU 9 HG1 GLU 9 2.069 -7.025 -7.025 63 H GLY 10 HN GLY 10 3.259 -3.383 -3.383 64 1HA GLY 10 HA2 GLY 10 4.376 -4.182 -4.182 65 2HA GLY 10 HA1 GLY 10 3.738 -2.542 -2.542 66 HA PRO 11 HA PRO 11 8.028 -2.476 -2.476 67 1HB PRO 11 HB2 PRO 11 9.355 -1.517 -1.517 68 2HB PRO 11 HB1 PRO 11 9.208 -3.245 -3.245 69 1HG PRO 11 HG2 PRO 11 7.792 -1.645 -1.645 70 2HG PRO 11 HG1 PRO 11 8.158 -3.378 -3.378 71 1HD PRO 11 HD2 PRO 11 5.650 -2.196 -2.196 72 2HD PRO 11 HD1 PRO 11 6.112 -3.881 -3.881 73 H GLY 12 HN GLY 12 5.577 -0.628 -0.628 74 1HA GLY 12 HA2 GLY 12 6.957 1.978 1.978 75 2HA GLY 12 HA1 GLY 12 5.487 1.773 1.773 76 H LEU 13 HN LEU 13 5.700 3.522 3.522 77 HA LEU 13 HA LEU 13 4.109 4.089 4.089 78 1HB LEU 13 HB2 LEU 13 2.192 2.949 2.949 79 2HB LEU 13 HB1 LEU 13 2.852 2.050 2.050 80 HG LEU 13 HG LEU 13 3.784 0.812 0.812 81 1HD1 LEU 13 HD12 LEU 13 0.983 1.788 1.788 82 2HD1 LEU 13 HD11 LEU 13 1.275 0.137 0.137 83 3HD1 LEU 13 HD13 LEU 13 2.091 1.485 1.485 84 1HD2 LEU 13 HD22 LEU 13 2.370 0.145 0.145 85 2HD2 LEU 13 HD21 LEU 13 3.476 -0.843 -0.843 86 3HD2 LEU 13 HD23 LEU 13 1.765 -0.774 -0.774 87 H ASP 14 HN ASP 14 6.550 1.875 1.875 88 HA ASP 14 HA ASP 14 6.413 1.011 1.011 89 1HB ASP 14 HB2 ASP 14 8.989 1.634 1.634 90 2HB ASP 14 HB1 ASP 14 8.641 0.328 0.328 91 H GLY 15 HN GLY 15 7.119 3.945 3.945 92 1HA GLY 15 HA2 GLY 15 7.374 6.108 6.108 93 2HA GLY 15 HA1 GLY 15 7.441 5.363 5.363 94 H GLY 16 HN GLY 16 9.241 6.018 6.018 95 1HA GLY 16 HA2 GLY 16 11.539 6.243 6.243 96 2HA GLY 16 HA1 GLY 16 11.796 5.084 5.084 97 H GLU 17 HN GLU 17 11.298 6.187 6.187 98 HA GLU 17 HA GLU 17 12.644 8.857 8.857 99 1HB GLU 17 HB2 GLU 17 13.097 6.528 6.528 100 2HB GLU 17 HB1 GLU 17 13.656 8.146 8.146 101 1HG GLU 17 HG2 GLU 17 15.435 7.894 7.894 102 2HG GLU 17 HG1 GLU 17 14.374 7.488 7.488 103 H CYS 18 HN CYS 18 11.943 10.390 10.390 104 HA CYS 18 HA CYS 18 9.330 9.935 9.935 105 1HB CYS 18 HB2 CYS 18 10.936 12.361 12.361 106 2HB CYS 18 HB1 CYS 18 9.868 12.461 12.461 107 HG CYS 18 HG CYS 18 7.894 11.633 11.633 108 H PHE 19 HN PHE 19 12.657 10.086 10.086 109 HA PHE 19 HA PHE 19 12.024 10.707 10.707 110 1HB PHE 19 HB2 PHE 19 14.611 10.265 10.265 111 2HB PHE 19 HB1 PHE 19 14.550 10.394 10.394 112 HD1 PHE 19 HD2 PHE 19 12.885 12.051 12.051 113 HD2 PHE 19 HD1 PHE 19 14.975 12.563 12.563 114 HE1 PHE 19 HE2 PHE 19 12.618 14.489 14.489 115 HE2 PHE 19 HE1 PHE 19 14.697 15.025 15.025 116 HZ PHE 19 HZ PHE 19 13.504 15.971 15.971 117 H GLN 20 HN GLN 20 11.439 8.117 8.117 118 HA GLN 20 HA GLN 20 12.577 6.193 6.193 119 1HB GLN 20 HB2 GLN 20 11.295 5.908 5.908 120 2HB GLN 20 HB1 GLN 20 11.360 4.533 4.533 121 1HG GLN 20 HG2 GLN 20 13.927 5.900 5.900 122 2HG GLN 20 HG1 GLN 20 13.392 5.353 5.353 123 1HE2 GLN 20 HE22 GLN 20 15.175 2.499 2.499 124 2HE2 GLN 20 HE21 GLN 20 15.606 4.067 4.067 125 HA PRO 21 HA PRO 21 8.742 6.497 6.497 126 1HB PRO 21 HB2 PRO 21 8.808 4.082 4.082 127 2HB PRO 21 HB1 PRO 21 9.712 5.521 5.521 128 1HG PRO 21 HG2 PRO 21 10.706 3.063 3.063 129 2HG PRO 21 HG1 PRO 21 11.555 4.138 4.138 130 1HD PRO 21 HD2 PRO 21 11.889 4.174 4.174 131 2HD PRO 21 HD1 PRO 21 12.286 5.528 5.528 132 H SER 22 HN SER 22 6.667 6.040 6.040 133 HA SER 22 HA SER 22 6.371 3.781 3.781 134 1HB SER 22 HB2 SER 22 4.313 5.849 5.849 135 2HB SER 22 HB1 SER 22 4.528 4.892 4.892 136 HG SER 22 HG SER 22 6.366 6.839 6.839 137 H LYS 23 HN LYS 23 5.680 1.952 1.952 138 HA LYS 23 HA LYS 23 3.273 2.215 2.215 139 1HB LYS 23 HB2 LYS 23 5.552 0.548 0.548 140 2HB LYS 23 HB1 LYS 23 4.161 1.172 1.172 141 1HG LYS 23 HG2 LYS 23 5.037 3.479 3.479 142 2HG LYS 23 HG1 LYS 23 6.458 2.823 2.823 143 1HD LYS 23 HD2 LYS 23 5.636 1.957 1.957 144 2HD LYS 23 HD1 LYS 23 6.731 3.310 3.310 145 1HE LYS 23 HE2 LYS 23 8.275 1.849 1.849 146 2HE LYS 23 HE1 LYS 23 7.163 0.491 0.491 147 1HZ LYS 23 HZ1 LYS 23 7.874 1.843 1.843 148 2HZ LYS 23 HZ3 LYS 23 9.154 1.032 1.032 149 3HZ LYS 23 HZ2 LYS 23 7.748 0.180 0.180 150 H PHE 24 HN PHE 24 1.921 0.569 0.569 151 HA PHE 24 HA PHE 24 3.026 -1.963 -1.963 152 1HB PHE 24 HB2 PHE 24 0.590 -1.440 -1.440 153 2HB PHE 24 HB1 PHE 24 2.202 -1.689 -1.689 154 HD1 PHE 24 HD1 PHE 24 3.823 0.372 0.372 155 HD2 PHE 24 HD2 PHE 24 -0.456 0.587 0.587 156 HE1 PHE 24 HE1 PHE 24 3.973 2.775 2.775 157 HE2 PHE 24 HE2 PHE 24 -0.312 2.993 2.993 158 HZ PHE 24 HZ PHE 24 1.907 4.080 4.080 159 H LYS 25 HN LYS 25 1.491 -3.754 -3.754 160 HA LYS 25 HA LYS 25 -0.554 -3.241 -3.241 161 1HB LYS 25 HB2 LYS 25 0.678 -5.938 -5.938 162 2HB LYS 25 HB1 LYS 25 -0.076 -5.348 -5.348 163 1HG LYS 25 HG2 LYS 25 1.903 -3.565 -3.565 164 2HG LYS 25 HG1 LYS 25 2.677 -4.858 -4.858 165 1HD LYS 25 HD2 LYS 25 1.323 -5.633 -5.633 166 2HD LYS 25 HD1 LYS 25 2.828 -4.722 -4.722 167 1HE LYS 25 HE2 LYS 25 3.856 -6.388 -6.388 168 2HE LYS 25 HE1 LYS 25 2.396 -7.358 -7.358 169 1HZ LYS 25 HZ1 LYS 25 3.965 -6.432 -6.432 170 2HZ LYS 25 HZ3 LYS 25 4.355 -7.867 -7.867 171 3HZ LYS 25 HZ2 LYS 25 2.833 -7.697 -7.697 172 H ILE 26 HN ILE 26 -2.626 -4.077 -4.077 173 HA ILE 26 HA ILE 26 -3.016 -5.223 -5.223 174 HB ILE 26 HB ILE 26 -5.180 -3.872 -3.872 175 1HG1 ILE 26 HG12 ILE 26 -2.885 -2.637 -2.637 176 2HG1 ILE 26 HG11 ILE 26 -3.538 -2.174 -2.174 177 1HG2 ILE 26 HG23 ILE 26 -4.593 -4.215 -4.215 178 2HG2 ILE 26 HG22 ILE 26 -6.007 -3.401 -3.401 179 3HG2 ILE 26 HG21 ILE 26 -5.775 -5.128 -5.128 180 1HD1 ILE 26 HD12 ILE 26 -5.614 -1.403 -1.403 181 2HD1 ILE 26 HD11 ILE 26 -4.935 -1.835 -1.835 182 3HD1 ILE 26 HD13 ILE 26 -4.201 -0.546 -0.546 183 H HIS 27 HN HIS 27 -4.567 -6.885 -6.885 184 HA HIS 27 HA HIS 27 -5.494 -8.168 -8.168 185 1HB HIS 27 HB2 HIS 27 -4.289 -9.815 -9.815 186 2HB HIS 27 HB1 HIS 27 -4.571 -10.271 -10.271 187 HD1 HIS 27 HD1 HIS 27 -2.616 -7.512 -7.512 188 HD2 HIS 27 HD2 HIS 27 -2.206 -10.166 -10.166 189 HE1 HIS 27 HE1 HIS 27 -0.354 -7.066 -7.066 190 H ALA 28 HN ALA 28 -7.622 -8.428 -8.428 191 HA ALA 28 HA ALA 28 -8.846 -8.696 -8.696 192 1HB ALA 28 HB3 ALA 28 -9.560 -7.195 -7.195 193 2HB ALA 28 HB2 ALA 28 -10.629 -8.592 -8.592 194 3HB ALA 28 HB1 ALA 28 -10.642 -7.606 -7.606 195 H VAL 29 HN VAL 29 -10.051 -10.573 -10.573 196 HA VAL 29 HA VAL 29 -10.206 -12.706 -12.706 197 HB VAL 29 HB VAL 29 -8.945 -12.841 -12.841 198 1HG1 VAL 29 HG11 VAL 29 -10.649 -15.034 -15.034 199 2HG1 VAL 29 HG13 VAL 29 -9.375 -15.365 -15.365 200 3HG1 VAL 29 HG12 VAL 29 -10.756 -14.367 -14.367 201 1HG2 VAL 29 HG23 VAL 29 -8.182 -13.212 -13.212 202 2HG2 VAL 29 HG22 VAL 29 -7.236 -13.646 -13.646 203 3HG2 VAL 29 HG21 VAL 29 -8.277 -14.846 -14.846 204 H ASP 30 HN ASP 30 -12.245 -13.257 -13.257 205 HA ASP 30 HA ASP 30 -14.197 -12.738 -12.738 206 1HB ASP 30 HB2 ASP 30 -15.761 -12.277 -12.277 207 2HB ASP 30 HB1 ASP 30 -14.295 -11.803 -11.803 208 HA PRO 31 HA PRO 31 -15.111 -17.015 -17.015 209 1HB PRO 31 HB2 PRO 31 -17.836 -17.224 -17.224 210 2HB PRO 31 HB1 PRO 31 -17.049 -16.552 -16.552 211 1HG PRO 31 HG2 PRO 31 -18.481 -15.131 -15.131 212 2HG PRO 31 HG1 PRO 31 -18.238 -14.640 -14.640 213 1HD PRO 31 HD2 PRO 31 -16.804 -13.672 -13.672 214 2HD PRO 31 HD1 PRO 31 -16.355 -13.442 -13.442 215 H ASP 32 HN ASP 32 -14.731 -16.002 -16.002 216 HA ASP 32 HA ASP 32 -16.003 -18.419 -18.419 217 1HB ASP 32 HB2 ASP 32 -15.885 -15.597 -15.597 218 2HB ASP 32 HB1 ASP 32 -15.514 -16.793 -16.793 219 H GLY 33 HN GLY 33 -13.193 -17.482 -17.482 220 1HA GLY 33 HA2 GLY 33 -10.995 -18.245 -18.245 221 2HA GLY 33 HA1 GLY 33 -11.613 -19.143 -19.143 222 H VAL 34 HN VAL 34 -12.251 -15.779 -15.779 223 HA VAL 34 HA VAL 34 -10.297 -14.905 -14.905 224 HB VAL 34 HB VAL 34 -13.115 -13.997 -13.997 225 1HG1 VAL 34 HG11 VAL 34 -10.713 -13.695 -13.695 226 2HG1 VAL 34 HG13 VAL 34 -11.505 -14.960 -14.960 227 3HG1 VAL 34 HG12 VAL 34 -12.302 -13.403 -13.403 228 1HG2 VAL 34 HG21 VAL 34 -12.120 -16.776 -16.776 229 2HG2 VAL 34 HG23 VAL 34 -13.542 -16.350 -16.350 230 3HG2 VAL 34 HG22 VAL 34 -13.513 -16.028 -16.028 231 H HIS 35 HN HIS 35 -10.850 -12.362 -12.362 232 HA HIS 35 HA HIS 35 -10.958 -11.280 -11.280 233 1HB HIS 35 HB2 HIS 35 -10.405 -9.633 -9.633 234 2HB HIS 35 HB1 HIS 35 -9.831 -9.381 -9.381 235 HD1 HIS 35 HD1 HIS 35 -7.478 -10.123 -10.123 236 HD2 HIS 35 HD2 HIS 35 -9.206 -12.181 -12.181 237 HE1 HIS 35 HE1 HIS 35 -5.681 -11.640 -11.640 238 H ARG 36 HN ARG 36 -13.360 -12.136 -12.136 239 HA ARG 36 HA ARG 36 -15.591 -11.503 -11.503 240 1HB ARG 36 HB2 ARG 36 -14.177 -9.187 -9.187 241 2HB ARG 36 HB1 ARG 36 -15.384 -8.668 -8.668 242 1HG ARG 36 HG2 ARG 36 -16.941 -10.335 -10.335 243 2HG ARG 36 HG1 ARG 36 -15.778 -10.052 -10.052 244 1HD ARG 36 HD2 ARG 36 -16.713 -8.051 -8.051 245 2HD ARG 36 HD1 ARG 36 -16.434 -7.536 -7.536 246 HE ARG 36 HE ARG 36 -18.973 -8.318 -8.318 247 1HH1 ARG 36 HH11 ARG 36 -19.059 -10.538 -10.538 248 2HH1 ARG 36 HH12 ARG 36 -19.447 -9.898 -9.898 249 1HH2 ARG 36 HH21 ARG 36 -18.568 -6.647 -6.647 250 2HH2 ARG 36 HH22 ARG 36 -19.166 -7.699 -7.699 251 H THR 37 HN THR 37 -15.056 -12.490 -12.490 252 HA THR 37 HA THR 37 -15.276 -12.355 -12.355 253 HB THR 37 HB THR 37 -17.195 -10.103 -10.103 254 HG1 THR 37 HG1 THR 37 -17.305 -12.829 -12.829 255 1HG2 THR 37 HG23 THR 37 -16.519 -11.203 -11.203 256 2HG2 THR 37 HG22 THR 37 -17.802 -12.310 -12.310 257 3HG2 THR 37 HG21 THR 37 -18.133 -10.584 -10.584 258 H ASP 38 HN ASP 38 -13.161 -11.467 -11.467 259 HA ASP 38 HA ASP 38 -12.154 -8.940 -8.940 260 1HB ASP 38 HB2 ASP 38 -11.488 -11.095 -11.095 261 2HB ASP 38 HB1 ASP 38 -11.867 -9.864 -9.864 262 H GLY 39 HN GLY 39 -12.336 -6.923 -6.923 263 1HA GLY 39 HA2 GLY 39 -13.300 -5.363 -5.363 264 2HA GLY 39 HA1 GLY 39 -14.399 -6.626 -6.626 265 H GLY 40 HN GLY 40 -15.417 -7.426 -7.426 266 1HA GLY 40 HA2 GLY 40 -17.034 -4.996 -4.996 267 2HA GLY 40 HA1 GLY 40 -17.591 -6.655 -6.655 268 H ASP 41 HN ASP 41 -14.575 -5.010 -5.010 269 HA ASP 41 HA ASP 41 -15.116 -6.048 -6.048 270 1HB ASP 41 HB2 ASP 41 -12.516 -4.978 -4.978 271 2HB ASP 41 HB1 ASP 41 -12.721 -5.815 -5.815 272 H GLY 42 HN GLY 42 -15.994 -4.519 -4.519 273 1HA GLY 42 HA2 GLY 42 -15.935 -1.694 -1.694 274 2HA GLY 42 HA1 GLY 42 -16.449 -2.401 -2.401 275 H PHE 43 HN PHE 43 -13.469 -1.906 -1.906 276 HA PHE 43 HA PHE 43 -11.932 -1.784 -1.784 277 1HB PHE 43 HB2 PHE 43 -11.423 -2.850 -2.850 278 2HB PHE 43 HB1 PHE 43 -10.386 -1.428 -1.428 279 HD1 PHE 43 HD1 PHE 43 -11.423 -4.468 -4.468 280 HD2 PHE 43 HD2 PHE 43 -8.381 -1.525 -1.525 281 HE1 PHE 43 HE1 PHE 43 -9.858 -5.735 -5.735 282 HE2 PHE 43 HE2 PHE 43 -6.817 -2.790 -2.790 283 HZ PHE 43 HZ PHE 43 -7.562 -4.893 -4.893 284 H VAL 44 HN VAL 44 -11.389 0.115 0.115 285 HA VAL 44 HA VAL 44 -10.904 2.430 2.430 286 HB VAL 44 HB VAL 44 -12.950 3.229 3.229 287 1HG1 VAL 44 HG11 VAL 44 -12.690 1.104 1.104 288 2HG1 VAL 44 HG13 VAL 44 -13.372 2.558 2.558 289 3HG1 VAL 44 HG12 VAL 44 -14.144 1.824 1.824 290 1HG2 VAL 44 HG23 VAL 44 -11.196 4.719 4.719 291 2HG2 VAL 44 HG22 VAL 44 -12.700 4.735 4.735 292 3HG2 VAL 44 HG21 VAL 44 -11.318 3.810 3.810 293 H VAL 45 HN VAL 45 -8.796 2.873 2.873 294 HA VAL 45 HA VAL 45 -7.808 2.648 2.648 295 HB VAL 45 HB VAL 45 -6.294 2.222 2.222 296 1HG1 VAL 45 HG12 VAL 45 -5.431 2.334 2.334 297 2HG1 VAL 45 HG11 VAL 45 -4.488 1.474 1.474 298 3HG1 VAL 45 HG13 VAL 45 -4.756 3.209 3.209 299 1HG2 VAL 45 HG21 VAL 45 -7.929 0.479 0.479 300 2HG2 VAL 45 HG23 VAL 45 -6.664 0.010 0.010 301 3HG2 VAL 45 HG22 VAL 45 -6.312 0.098 0.098 302 H THR 46 HN THR 46 -6.309 4.282 4.282 303 HA THR 46 HA THR 46 -5.758 6.513 6.513 304 HB THR 46 HB THR 46 -7.023 7.839 7.839 305 HG1 THR 46 HG1 THR 46 -8.950 6.880 6.880 306 1HG2 THR 46 HG22 THR 46 -6.832 8.214 8.214 307 2HG2 THR 46 HG21 THR 46 -8.382 7.373 7.373 308 3HG2 THR 46 HG23 THR 46 -8.207 8.869 8.869 309 H ILE 47 HN ILE 47 -3.851 7.291 7.291 310 HA ILE 47 HA ILE 47 -2.974 7.128 7.128 311 HB ILE 47 HB ILE 47 -1.451 6.707 6.707 312 1HG1 ILE 47 HG12 ILE 47 -1.991 5.214 5.214 313 2HG1 ILE 47 HG11 ILE 47 -1.615 4.605 4.605 314 1HG2 ILE 47 HG23 ILE 47 -0.278 7.695 7.695 315 2HG2 ILE 47 HG22 ILE 47 0.662 7.109 7.109 316 3HG2 ILE 47 HG21 ILE 47 -0.294 8.570 8.570 317 1HD1 ILE 47 HD13 ILE 47 0.779 5.484 5.484 318 2HD1 ILE 47 HD12 ILE 47 0.307 5.582 5.582 319 3HD1 ILE 47 HD11 ILE 47 0.300 4.028 4.028 320 H GLU 48 HN GLU 48 -1.613 8.962 8.962 321 HA GLU 48 HA GLU 48 -1.228 11.125 11.125 322 1HB GLU 48 HB2 GLU 48 -2.749 12.715 12.715 323 2HB GLU 48 HB1 GLU 48 -3.455 11.776 11.776 324 1HG GLU 48 HG2 GLU 48 -4.697 10.537 10.537 325 2HG GLU 48 HG1 GLU 48 -3.322 10.250 10.250 326 H GLY 49 HN GLY 49 0.016 12.775 12.775 327 1HA GLY 49 HA2 GLY 49 0.740 12.888 12.888 328 2HA GLY 49 HA1 GLY 49 2.033 12.343 12.343 329 HA PRO 50 HA PRO 50 1.956 16.979 16.979 330 1HB PRO 50 HB2 PRO 50 4.564 17.306 17.306 331 2HB PRO 50 HB1 PRO 50 3.196 17.221 17.221 332 1HG PRO 50 HG2 PRO 50 5.262 15.154 15.154 333 2HG PRO 50 HG1 PRO 50 4.325 15.403 15.403 334 1HD PRO 50 HD2 PRO 50 3.811 13.435 13.435 335 2HD PRO 50 HD1 PRO 50 2.694 13.934 13.934 336 H ALA 51 HN ALA 51 1.898 16.077 16.077 337 HA ALA 51 HA ALA 51 4.331 17.036 17.036 338 1HB ALA 51 HB3 ALA 51 4.143 14.315 14.315 339 2HB ALA 51 HB2 ALA 51 3.534 14.451 14.451 340 3HB ALA 51 HB1 ALA 51 5.145 15.052 15.052 341 HA PRO 52 HA PRO 52 1.493 18.054 18.054 342 1HB PRO 52 HB2 PRO 52 2.910 17.485 17.485 343 2HB PRO 52 HB1 PRO 52 3.263 18.866 18.866 344 1HG PRO 52 HG2 PRO 52 4.756 16.302 16.302 345 2HG PRO 52 HG1 PRO 52 5.349 17.891 17.891 346 1HD PRO 52 HD2 PRO 52 4.770 15.713 15.713 347 2HD PRO 52 HD1 PRO 52 5.042 17.394 17.394 348 H VAL 53 HN VAL 53 2.949 14.844 14.844 349 HA VAL 53 HA VAL 53 0.507 13.952 13.952 350 HB VAL 53 HB VAL 53 2.206 11.812 11.812 351 1HG1 VAL 53 HG12 VAL 53 1.348 13.978 13.978 352 2HG1 VAL 53 HG11 VAL 53 2.959 13.410 13.410 353 3HG1 VAL 53 HG13 VAL 53 1.609 12.276 12.276 354 1HG2 VAL 53 HG22 VAL 53 3.898 14.333 14.333 355 2HG2 VAL 53 HG21 VAL 53 4.040 12.961 12.961 356 3HG2 VAL 53 HG23 VAL 53 4.451 12.771 12.771 357 H ASP 54 HN ASP 54 -0.528 14.065 14.065 358 HA ASP 54 HA ASP 54 0.345 11.900 11.900 359 1HB ASP 54 HB2 ASP 54 -1.803 14.017 14.017 360 2HB ASP 54 HB1 ASP 54 -1.465 12.800 12.800 361 HA PRO 55 HA PRO 55 -3.985 10.276 10.276 362 1HB PRO 55 HB2 PRO 55 -5.298 11.503 11.503 363 2HB PRO 55 HB1 PRO 55 -5.464 12.009 12.009 364 1HG PRO 55 HG2 PRO 55 -3.997 13.345 13.345 365 2HG PRO 55 HG1 PRO 55 -4.667 14.045 14.045 366 1HD PRO 55 HD2 PRO 55 -1.933 13.405 13.405 367 2HD PRO 55 HD1 PRO 55 -2.648 13.896 13.896 368 H VAL 56 HN VAL 56 -2.699 8.506 8.506 369 HA VAL 56 HA VAL 56 -2.705 8.501 8.501 370 HB VAL 56 HB VAL 56 -0.462 7.409 7.409 371 1HG1 VAL 56 HG11 VAL 56 -0.979 7.935 7.935 372 2HG1 VAL 56 HG13 VAL 56 0.672 7.825 7.825 373 3HG1 VAL 56 HG12 VAL 56 -0.422 6.451 6.451 374 1HG2 VAL 56 HG22 VAL 56 -0.795 10.154 10.154 375 2HG2 VAL 56 HG21 VAL 56 -0.474 9.784 9.784 376 3HG2 VAL 56 HG23 VAL 56 0.771 9.498 9.498 377 H MET 57 HN MET 57 -4.443 6.959 6.959 378 HA MET 57 HA MET 57 -3.513 4.258 4.258 379 1HB MET 57 HB2 MET 57 -5.489 3.654 3.654 380 2HB MET 57 HB1 MET 57 -4.996 5.205 5.205 381 1HG MET 57 HG2 MET 57 -6.964 5.035 5.035 382 2HG MET 57 HG1 MET 57 -7.490 4.910 4.910 383 1HE MET 57 HE2 MET 57 -8.594 6.567 6.567 384 2HE MET 57 HE1 MET 57 -8.432 8.305 8.305 385 3HE MET 57 HE3 MET 57 -9.043 7.285 7.285 386 H VAL 58 HN VAL 58 -4.031 2.712 2.712 387 HA VAL 58 HA VAL 58 -6.011 3.430 3.430 388 HB VAL 58 HB VAL 58 -3.742 1.835 1.835 389 1HG1 VAL 58 HG11 VAL 58 -5.469 4.110 4.110 390 2HG1 VAL 58 HG13 VAL 58 -3.909 3.903 3.903 391 3HG1 VAL 58 HG12 VAL 58 -5.094 2.598 2.598 392 1HG2 VAL 58 HG23 VAL 58 -3.318 4.669 4.669 393 2HG2 VAL 58 HG22 VAL 58 -2.390 3.233 3.233 394 3HG2 VAL 58 HG21 VAL 58 -2.272 3.907 3.907 395 H ASP 59 HN ASP 59 -6.903 1.554 1.554 396 HA ASP 59 HA ASP 59 -6.695 -0.962 -0.962 397 1HB ASP 59 HB2 ASP 59 -8.914 -0.154 -0.154 398 2HB ASP 59 HB1 ASP 59 -9.018 0.329 0.329 399 H ASN 60 HN ASN 60 -5.955 -2.735 -2.735 400 HA ASN 60 HA ASN 60 -5.438 -2.403 -2.403 401 1HB ASN 60 HB2 ASN 60 -4.795 -4.812 -4.812 402 2HB ASN 60 HB1 ASN 60 -4.052 -4.344 -4.344 403 1HD2 ASN 60 HD22 ASN 60 -1.592 -2.443 -2.443 404 2HD2 ASN 60 HD21 ASN 60 -2.049 -3.368 -3.368 405 H GLY 61 HN GLY 61 -7.923 -3.754 -3.754 406 1HA GLY 61 HA2 GLY 61 -9.876 -4.824 -4.824 407 2HA GLY 61 HA1 GLY 61 -9.215 -4.779 -4.779 408 H ASP 62 HN ASP 62 -7.021 -6.105 -6.105 409 HA ASP 62 HA ASP 62 -7.761 -8.847 -8.847 410 1HB ASP 62 HB2 ASP 62 -5.307 -9.347 -9.347 411 2HB ASP 62 HB1 ASP 62 -5.595 -8.322 -8.322 412 H GLY 63 HN GLY 63 -8.858 -7.480 -7.480 413 1HA GLY 63 HA2 GLY 63 -9.450 -8.210 -8.210 414 2HA GLY 63 HA1 GLY 63 -8.452 -9.638 -9.638 415 H THR 64 HN THR 64 -6.551 -7.047 -7.047 416 HA THR 64 HA THR 64 -5.601 -6.699 -6.699 417 HB THR 64 HB THR 64 -3.263 -6.734 -6.734 418 HG1 THR 64 HG1 THR 64 -4.375 -8.090 -8.090 419 1HG2 THR 64 HG21 THR 64 -4.941 -9.242 -9.242 420 2HG2 THR 64 HG23 THR 64 -3.180 -9.220 -9.220 421 3HG2 THR 64 HG22 THR 64 -4.136 -8.675 -8.675 422 H TYR 65 HN TYR 65 -4.749 -4.605 -4.605 423 HA TYR 65 HA TYR 65 -5.039 -2.668 -2.668 424 1HB TYR 65 HB2 TYR 65 -5.727 -2.286 -2.286 425 2HB TYR 65 HB1 TYR 65 -5.805 -1.019 -1.019 426 HD1 TYR 65 HD2 TYR 65 -6.928 -4.565 -4.565 427 HD2 TYR 65 HD1 TYR 65 -7.825 -0.696 -0.696 428 HE1 TYR 65 HE2 TYR 65 -9.116 -5.400 -5.400 429 HE2 TYR 65 HE1 TYR 65 -10.009 -1.529 -1.529 430 HH TYR 65 HH TYR 65 -11.444 -3.225 -3.225 431 H ASP 66 HN ASP 66 -3.624 -0.795 -0.795 432 HA ASP 66 HA ASP 66 -1.220 -1.229 -1.229 433 1HB ASP 66 HB2 ASP 66 -1.362 -0.480 -0.480 434 2HB ASP 66 HB1 ASP 66 0.095 -0.274 -0.274 435 H VAL 67 HN VAL 67 -0.690 0.551 0.551 436 HA VAL 67 HA VAL 67 -1.794 3.161 3.161 437 HB VAL 67 HB VAL 67 -2.396 3.710 3.710 438 1HG1 VAL 67 HG13 VAL 67 -3.257 1.252 1.252 439 2HG1 VAL 67 HG12 VAL 67 -3.018 0.965 0.965 440 3HG1 VAL 67 HG11 VAL 67 -4.108 2.243 2.243 441 1HG2 VAL 67 HG21 VAL 67 -0.506 1.520 1.520 442 2HG2 VAL 67 HG23 VAL 67 -0.477 3.217 3.217 443 3HG2 VAL 67 HG22 VAL 67 -1.709 2.139 2.139 444 H GLU 68 HN GLU 68 -0.317 5.017 5.017 445 HA GLU 68 HA GLU 68 2.333 4.380 4.380 446 1HB GLU 68 HB2 GLU 68 2.410 5.525 5.525 447 2HB GLU 68 HB1 GLU 68 3.585 4.494 4.494 448 1HG GLU 68 HG2 GLU 68 2.243 2.534 2.534 449 2HG GLU 68 HG1 GLU 68 0.851 3.501 3.501 450 H PHE 69 HN PHE 69 3.042 6.140 6.140 451 HA PHE 69 HA PHE 69 2.554 8.828 8.828 452 1HB PHE 69 HB2 PHE 69 2.003 9.873 9.873 453 2HB PHE 69 HB1 PHE 69 0.961 8.460 8.460 454 HD1 PHE 69 HD2 PHE 69 2.226 6.219 6.219 455 HD2 PHE 69 HD1 PHE 69 3.023 10.275 10.275 456 HE1 PHE 69 HE2 PHE 69 3.147 5.432 5.432 457 HE2 PHE 69 HE1 PHE 69 3.945 9.484 9.484 458 HZ PHE 69 HZ PHE 69 3.992 7.038 7.038 459 H GLU 70 HN GLU 70 4.305 10.384 10.384 460 HA GLU 70 HA GLU 70 6.612 9.238 9.238 461 1HB GLU 70 HB2 GLU 70 8.137 9.375 9.375 462 2HB GLU 70 HB1 GLU 70 6.742 8.433 8.433 463 1HG GLU 70 HG2 GLU 70 5.954 10.985 10.985 464 2HG GLU 70 HG1 GLU 70 7.688 11.058 11.058 465 HA PRO 71 HA PRO 71 6.534 13.736 13.736 466 1HB PRO 71 HB2 PRO 71 7.377 13.537 13.537 467 2HB PRO 71 HB1 PRO 71 5.686 13.354 13.354 468 1HG PRO 71 HG2 PRO 71 7.610 11.267 11.267 469 2HG PRO 71 HG1 PRO 71 5.839 11.245 11.245 470 1HD PRO 71 HD2 PRO 71 7.534 9.955 9.955 471 2HD PRO 71 HD1 PRO 71 5.763 10.093 10.093 472 H LYS 72 HN LYS 72 8.366 15.122 15.122 473 HA LYS 72 HA LYS 72 11.098 14.006 14.006 474 1HB LYS 72 HB2 LYS 72 11.534 16.438 16.438 475 2HB LYS 72 HB1 LYS 72 11.022 15.105 15.105 476 1HG LYS 72 HG2 LYS 72 8.948 15.998 15.998 477 2HG LYS 72 HG1 LYS 72 8.824 16.590 16.590 478 1HD LYS 72 HD2 LYS 72 10.750 17.871 17.871 479 2HD LYS 72 HD1 LYS 72 9.047 18.331 18.331 480 1HE LYS 72 HE2 LYS 72 9.133 19.166 19.166 481 2HE LYS 72 HE1 LYS 72 10.598 18.262 18.262 482 1HZ LYS 72 HZ3 LYS 72 11.569 19.706 19.706 483 2HZ LYS 72 HZ2 LYS 72 10.292 20.751 20.751 484 3HZ LYS 72 HZ1 LYS 72 11.453 20.331 20.331 485 H GLU 73 HN GLU 73 9.599 14.731 14.731 486 HA GLU 73 HA GLU 73 11.681 16.480 16.480 487 1HB GLU 73 HB2 GLU 73 10.068 18.072 18.072 488 2HB GLU 73 HB1 GLU 73 9.915 18.045 18.045 489 1HG GLU 73 HG2 GLU 73 7.812 17.208 17.208 490 2HG GLU 73 HG1 GLU 73 8.222 16.054 16.054 491 H ALA 74 HN ALA 74 9.987 16.885 16.885 492 HA ALA 74 HA ALA 74 10.207 14.126 14.126 493 1HB ALA 74 HB3 ALA 74 11.080 16.540 16.540 494 2HB ALA 74 HB2 ALA 74 9.556 16.287 16.287 495 3HB ALA 74 HB1 ALA 74 10.829 15.070 15.070 496 H GLY 75 HN GLY 75 8.323 13.001 13.001 497 1HA GLY 75 HA2 GLY 75 5.858 14.424 14.424 498 2HA GLY 75 HA1 GLY 75 5.887 13.822 13.822 499 H ASP 76 HN ASP 76 4.028 12.981 12.981 500 HA ASP 76 HA ASP 76 4.842 10.144 10.144 501 1HB ASP 76 HB2 ASP 76 2.984 10.119 10.119 502 2HB ASP 76 HB1 ASP 76 4.210 11.318 11.318 503 H TYR 77 HN TYR 77 3.177 8.578 8.578 504 HA TYR 77 HA TYR 77 1.452 9.634 9.634 505 1HB TYR 77 HB2 TYR 77 2.256 6.761 6.761 506 2HB TYR 77 HB1 TYR 77 1.680 7.604 7.604 507 HD1 TYR 77 HD2 TYR 77 3.328 10.085 10.085 508 HD2 TYR 77 HD1 TYR 77 4.349 5.947 5.947 509 HE1 TYR 77 HE2 TYR 77 5.631 10.570 10.570 510 HE2 TYR 77 HE1 TYR 77 6.649 6.422 6.422 511 HH TYR 77 HH TYR 77 7.525 9.371 9.371 512 H VAL 78 HN VAL 78 -0.640 9.263 9.263 513 HA VAL 78 HA VAL 78 -1.717 7.467 7.467 514 HB VAL 78 HB VAL 78 -2.637 9.615 9.615 515 1HG1 VAL 78 HG13 VAL 78 -2.407 9.823 9.823 516 2HG1 VAL 78 HG12 VAL 78 -3.852 10.580 10.580 517 3HG1 VAL 78 HG11 VAL 78 -2.256 11.075 11.075 518 1HG2 VAL 78 HG21 VAL 78 -4.459 7.856 7.856 519 2HG2 VAL 78 HG23 VAL 78 -4.433 8.113 8.113 520 3HG2 VAL 78 HG22 VAL 78 -5.040 9.376 9.376 521 H ILE 79 HN ILE 79 -2.753 5.672 5.672 522 HA ILE 79 HA ILE 79 -3.056 5.678 5.678 523 HB ILE 79 HB ILE 79 -1.204 4.359 4.359 524 1HG1 ILE 79 HG12 ILE 79 -2.667 1.964 1.964 525 2HG1 ILE 79 HG11 ILE 79 -3.431 3.173 3.173 526 1HG2 ILE 79 HG23 ILE 79 -2.962 3.722 3.722 527 2HG2 ILE 79 HG22 ILE 79 -2.225 2.270 2.270 528 3HG2 ILE 79 HG21 ILE 79 -1.210 3.593 3.593 529 1HD1 ILE 79 HD13 ILE 79 -0.542 3.342 3.342 530 2HD1 ILE 79 HD12 ILE 79 -1.109 1.728 1.728 531 3HD1 ILE 79 HD11 ILE 79 -1.710 3.132 3.132 532 H ASN 80 HN ASN 80 -4.680 4.370 4.370 533 HA ASN 80 HA ASN 80 -6.922 3.548 3.548 534 1HB ASN 80 HB2 ASN 80 -7.450 5.468 5.468 535 2HB ASN 80 HB1 ASN 80 -8.497 5.037 5.037 536 1HD2 ASN 80 HD22 ASN 80 -5.897 8.088 8.088 537 2HD2 ASN 80 HD21 ASN 80 -6.096 7.281 7.281 538 H LEU 81 HN LEU 81 -7.371 1.575 1.575 539 HA LEU 81 HA LEU 81 -7.709 1.139 1.139 540 1HB LEU 81 HB2 LEU 81 -5.628 0.081 0.081 541 2HB LEU 81 HB1 LEU 81 -5.988 -0.438 -0.438 542 HG LEU 81 HG LEU 81 -5.951 -2.232 -2.232 543 1HD1 LEU 81 HD12 LEU 81 -7.309 -2.005 -2.005 544 2HD1 LEU 81 HD11 LEU 81 -8.613 -2.398 -2.398 545 3HD1 LEU 81 HD13 LEU 81 -7.224 -3.473 -3.473 546 1HD2 LEU 81 HD22 LEU 81 -8.195 -0.535 -0.535 547 2HD2 LEU 81 HD21 LEU 81 -7.163 -1.635 -1.635 548 3HD2 LEU 81 HD23 LEU 81 -8.517 -2.266 -2.266 549 H THR 82 HN THR 82 -9.780 0.628 0.628 550 HA THR 82 HA THR 82 -11.119 -0.966 -0.966 551 HB THR 82 HB THR 82 -13.174 0.413 0.413 552 HG1 THR 82 HG1 THR 82 -11.425 1.316 1.316 553 1HG2 THR 82 HG21 THR 82 -11.006 1.021 1.021 554 2HG2 THR 82 HG23 THR 82 -11.913 2.448 2.448 555 3HG2 THR 82 HG22 THR 82 -12.751 1.088 1.088 556 H LEU 83 HN LEU 83 -12.321 -2.687 -2.687 557 HA LEU 83 HA LEU 83 -13.142 -2.856 -2.856 558 1HB LEU 83 HB2 LEU 83 -11.001 -4.105 -4.105 559 2HB LEU 83 HB1 LEU 83 -11.726 -5.129 -5.129 560 HG LEU 83 HG LEU 83 -11.710 -5.806 -5.806 561 1HD1 LEU 83 HD13 LEU 83 -12.858 -6.766 -6.766 562 2HD1 LEU 83 HD12 LEU 83 -14.271 -6.505 -6.505 563 3HD1 LEU 83 HD11 LEU 83 -12.960 -7.545 -7.545 564 1HD2 LEU 83 HD22 LEU 83 -13.133 -3.736 -3.736 565 2HD2 LEU 83 HD21 LEU 83 -13.784 -5.267 -5.267 566 3HD2 LEU 83 HD23 LEU 83 -14.440 -4.530 -4.530 567 H ASP 84 HN ASP 84 -15.187 -2.347 -2.347 568 HA ASP 84 HA ASP 84 -17.199 -4.021 -4.021 569 1HB ASP 84 HB2 ASP 84 -15.525 -4.799 -4.799 570 2HB ASP 84 HB1 ASP 84 -17.281 -4.934 -4.934 571 H GLY 85 HN GLY 85 -15.465 -1.689 -1.689 572 1HA GLY 85 HA2 GLY 85 -16.919 0.427 0.427 573 2HA GLY 85 HA1 GLY 85 -18.001 -0.640 -0.640 574 H ASP 86 HN ASP 86 -14.860 -1.704 -1.704 575 HA ASP 86 HA ASP 86 -14.586 0.132 0.132 576 1HB ASP 86 HB2 ASP 86 -14.525 -2.889 -2.889 577 2HB ASP 86 HB1 ASP 86 -13.712 -1.989 -1.989 578 H ASN 87 HN ASN 87 -12.231 -0.194 -0.194 579 HA ASN 87 HA ASN 87 -10.387 -0.281 -0.281 580 1HB ASN 87 HB2 ASN 87 -10.461 1.225 1.225 581 2HB ASN 87 HB1 ASN 87 -8.865 0.701 0.701 582 1HD2 ASN 87 HD22 ASN 87 -10.923 3.476 3.476 583 2HD2 ASN 87 HD21 ASN 87 -11.750 2.540 2.540 584 H VAL 88 HN VAL 88 -8.446 -1.554 -1.554 585 HA VAL 88 HA VAL 88 -8.795 -4.015 -4.015 586 HB VAL 88 HB VAL 88 -6.572 -2.796 -2.796 587 1HG1 VAL 88 HG13 VAL 88 -5.465 -3.999 -3.999 588 2HG1 VAL 88 HG12 VAL 88 -6.400 -5.440 -5.440 589 3HG1 VAL 88 HG11 VAL 88 -5.216 -4.814 -4.814 590 1HG2 VAL 88 HG22 VAL 88 -8.220 -5.333 -5.333 591 2HG2 VAL 88 HG21 VAL 88 -8.496 -3.858 -3.858 592 3HG2 VAL 88 HG23 VAL 88 -7.030 -4.803 -4.803 593 H ASN 89 HN ASN 89 -6.931 -4.841 -4.841 594 HA ASN 89 HA ASN 89 -6.883 -3.003 -3.003 595 1HB ASN 89 HB2 ASN 89 -5.715 -5.763 -5.763 596 2HB ASN 89 HB1 ASN 89 -5.630 -4.875 -4.875 597 1HD2 ASN 89 HD22 ASN 89 -9.144 -5.196 -5.196 598 2HD2 ASN 89 HD21 ASN 89 -7.794 -4.208 -4.208 599 H GLY 90 HN GLY 90 -5.152 -2.489 -2.489 600 1HA GLY 90 HA2 GLY 90 -2.745 -1.709 -1.709 601 2HA GLY 90 HA1 GLY 90 -2.513 -2.568 -2.568 602 H PHE 91 HN PHE 91 -5.252 -0.564 -0.564 603 HA PHE 91 HA PHE 91 -3.831 1.452 1.452 604 1HB PHE 91 HB2 PHE 91 -6.390 0.005 0.005 605 2HB PHE 91 HB1 PHE 91 -6.356 1.682 1.682 606 HD1 PHE 91 HD2 PHE 91 -4.592 -1.596 -1.596 607 HD2 PHE 91 HD1 PHE 91 -5.164 2.281 2.281 608 HE1 PHE 91 HE2 PHE 91 -3.228 -2.220 -2.220 609 HE2 PHE 91 HE1 PHE 91 -3.829 1.690 1.690 610 HZ PHE 91 HZ PHE 91 -2.857 -0.588 -0.588 611 HA PRO 92 HA PRO 92 -6.713 4.075 4.075 612 1HB PRO 92 HB2 PRO 92 -7.380 3.089 3.089 613 2HB PRO 92 HB1 PRO 92 -8.423 2.936 2.936 614 1HG PRO 92 HG2 PRO 92 -6.753 0.860 0.860 615 2HG PRO 92 HG1 PRO 92 -8.222 0.665 0.665 616 1HD PRO 92 HD2 PRO 92 -5.577 0.201 0.201 617 2HD PRO 92 HD1 PRO 92 -7.010 0.330 0.330 618 H LYS 93 HN LYS 93 -3.881 2.704 2.704 619 HA LYS 93 HA LYS 93 -2.979 4.012 4.012 620 1HB LYS 93 HB2 LYS 93 -2.482 1.554 1.554 621 2HB LYS 93 HB1 LYS 93 -1.430 2.128 2.128 622 1HG LYS 93 HG2 LYS 93 -0.251 1.694 1.694 623 2HG LYS 93 HG1 LYS 93 -0.027 3.320 3.320 624 1HD LYS 93 HD2 LYS 93 -1.157 4.282 4.282 625 2HD LYS 93 HD1 LYS 93 -2.399 3.031 3.031 626 1HE LYS 93 HE2 LYS 93 -1.442 2.158 2.158 627 2HE LYS 93 HE1 LYS 93 -0.032 1.758 1.758 628 1HZ LYS 93 HZ3 LYS 93 -0.428 4.439 4.439 629 2HZ LYS 93 HZ2 LYS 93 0.378 3.191 3.191 630 3HZ LYS 93 HZ1 LYS 93 0.995 3.781 3.781 631 H THR 94 HN THR 94 -0.794 4.999 4.999 632 HA THR 94 HA THR 94 -0.477 6.409 6.409 633 HB THR 94 HB THR 94 0.009 7.602 7.602 634 HG1 THR 94 HG1 THR 94 -2.227 7.105 7.105 635 1HG2 THR 94 HG21 THR 94 -0.161 8.779 8.779 636 2HG2 THR 94 HG23 THR 94 0.038 9.712 9.712 637 3HG2 THR 94 HG22 THR 94 1.303 8.597 8.597 638 H VAL 95 HN VAL 95 1.546 6.301 6.301 639 HA VAL 95 HA VAL 95 3.585 5.083 5.083 640 HB VAL 95 HB VAL 95 3.293 5.211 5.211 641 1HG1 VAL 95 HG13 VAL 95 5.656 5.949 5.949 642 2HG1 VAL 95 HG12 VAL 95 5.835 4.299 4.299 643 3HG1 VAL 95 HG11 VAL 95 5.531 4.590 4.590 644 1HG2 VAL 95 HG23 VAL 95 2.896 3.298 3.298 645 2HG2 VAL 95 HG22 VAL 95 2.874 3.024 3.024 646 3HG2 VAL 95 HG21 VAL 95 4.370 2.809 2.809 647 H THR 96 HN THR 96 5.772 6.101 6.101 648 HA THR 96 HA THR 96 5.512 9.031 9.031 649 HB THR 96 HB THR 96 7.193 7.833 7.833 650 HG1 THR 96 HG1 THR 96 5.472 7.683 7.683 651 1HG2 THR 96 HG21 THR 96 5.882 10.535 10.535 652 2HG2 THR 96 HG23 THR 96 6.839 10.072 10.072 653 3HG2 THR 96 HG22 THR 96 7.602 10.181 10.181 654 H VAL 97 HN VAL 97 7.133 10.137 10.137 655 HA VAL 97 HA VAL 97 9.735 8.787 8.787 656 HB VAL 97 HB VAL 97 7.942 10.198 10.198 657 1HG1 VAL 97 HG12 VAL 97 10.966 10.089 10.089 658 2HG1 VAL 97 HG11 VAL 97 9.974 10.412 10.412 659 3HG1 VAL 97 HG13 VAL 97 9.955 11.535 11.535 660 1HG2 VAL 97 HG23 VAL 97 9.656 7.729 7.729 661 2HG2 VAL 97 HG22 VAL 97 7.953 7.862 7.862 662 3HG2 VAL 97 HG21 VAL 97 9.189 8.415 8.415 663 H LYS 98 HN LYS 98 11.500 10.164 10.164 664 HA LYS 98 HA LYS 98 10.871 12.693 12.693 665 1HB LYS 98 HB2 LYS 98 13.685 11.788 11.788 666 2HB LYS 98 HB1 LYS 98 12.809 12.332 12.332 667 1HG LYS 98 HG2 LYS 98 11.504 10.043 10.043 668 2HG LYS 98 HG1 LYS 98 12.989 9.586 9.586 669 1HD LYS 98 HD2 LYS 98 14.319 10.125 10.125 670 2HD LYS 98 HD1 LYS 98 12.893 10.736 10.736 671 1HE LYS 98 HE2 LYS 98 13.203 7.881 7.881 672 2HE LYS 98 HE1 LYS 98 13.509 8.404 8.404 673 1HZ LYS 98 HZ1 LYS 98 11.161 9.361 9.361 674 2HZ LYS 98 HZ3 LYS 98 10.954 8.359 8.359 675 3HZ LYS 98 HZ2 LYS 98 11.322 7.677 7.677 676 HA PRO 99 HA PRO 99 12.508 15.390 15.390 677 1HB PRO 99 HB2 PRO 99 14.822 16.559 16.559 678 2HB PRO 99 HB1 PRO 99 13.191 17.003 17.003 679 1HG PRO 99 HG2 PRO 99 15.251 15.370 15.370 680 2HG PRO 99 HG1 PRO 99 13.968 16.389 16.389 681 1HD PRO 99 HD2 PRO 99 13.893 13.604 13.604 682 2HD PRO 99 HD1 PRO 99 12.470 14.640 14.640 683 H ALA 100 HN ALA 100 12.926 13.744 13.744 684 HA ALA 100 HA ALA 100 15.007 12.052 12.052 685 1HB ALA 100 HB2 ALA 100 13.055 13.316 13.316 686 2HB ALA 100 HB1 ALA 100 14.592 13.451 13.451 687 3HB ALA 100 HB3 ALA 100 13.988 11.866 11.866 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 -18.262 -9.075 -9.075 2 2H ALA 1 HT3 ALA 1 -18.218 -7.798 -7.798 3 3H ALA 1 HT2 ALA 1 -19.333 -9.063 -9.063 4 HA ALA 1 HA ALA 1 -17.604 -10.623 -10.623 5 1HB ALA 1 HB1 ALA 1 -18.107 -8.236 -8.236 6 2HB ALA 1 HB3 ALA 1 -16.433 -8.744 -8.744 7 3HB ALA 1 HB2 ALA 1 -17.751 -9.865 -9.865 8 H ASP 2 HN ASP 2 -15.677 -11.290 -11.290 9 HA ASP 2 HA ASP 2 -13.599 -11.247 -11.247 10 1HB ASP 2 HB2 ASP 2 -12.918 -10.585 -10.585 11 2HB ASP 2 HB1 ASP 2 -13.317 -8.908 -8.908 12 HA PRO 3 HA PRO 3 -14.682 -7.540 -7.540 13 1HB PRO 3 HB2 PRO 3 -16.235 -8.789 -8.789 14 2HB PRO 3 HB1 PRO 3 -16.917 -8.016 -8.016 15 1HG PRO 3 HG2 PRO 3 -16.585 -10.921 -10.921 16 2HG PRO 3 HG1 PRO 3 -17.760 -10.117 -10.117 17 1HD PRO 3 HD2 PRO 3 -15.412 -11.469 -11.469 18 2HD PRO 3 HD1 PRO 3 -16.436 -10.407 -10.407 19 H GLU 4 HN GLU 4 -13.243 -10.526 -10.526 20 HA GLU 4 HA GLU 4 -11.758 -9.992 -9.992 21 1HB GLU 4 HB2 GLU 4 -13.820 -11.770 -11.770 22 2HB GLU 4 HB1 GLU 4 -12.446 -12.798 -12.798 23 1HG GLU 4 HG2 GLU 4 -11.695 -11.082 -11.082 24 2HG GLU 4 HG1 GLU 4 -13.221 -11.869 -11.869 25 H LYS 5 HN LYS 5 -11.378 -10.344 -10.344 26 HA LYS 5 HA LYS 5 -8.813 -11.807 -11.807 27 1HB LYS 5 HB2 LYS 5 -11.036 -12.940 -12.940 28 2HB LYS 5 HB1 LYS 5 -10.074 -12.317 -12.317 29 1HG LYS 5 HG2 LYS 5 -8.720 -14.108 -14.108 30 2HG LYS 5 HG1 LYS 5 -8.238 -13.498 -13.498 31 1HD LYS 5 HD2 LYS 5 -9.576 -14.966 -14.966 32 2HD LYS 5 HD1 LYS 5 -10.858 -14.877 -14.877 33 1HE LYS 5 HE2 LYS 5 -10.087 -16.697 -16.697 34 2HE LYS 5 HE1 LYS 5 -8.425 -16.109 -16.109 35 1HZ LYS 5 HZ3 LYS 5 -9.576 -17.042 -17.042 36 2HZ LYS 5 HZ2 LYS 5 -9.202 -18.224 -18.224 37 3HZ LYS 5 HZ1 LYS 5 -7.990 -17.182 -17.182 38 H SER 6 HN SER 6 -9.399 -9.035 -9.035 39 HA SER 6 HA SER 6 -8.348 -8.314 -8.314 40 1HB SER 6 HB2 SER 6 -9.603 -6.359 -6.359 41 2HB SER 6 HB1 SER 6 -9.453 -6.244 -6.244 42 HG SER 6 HG SER 6 -11.550 -6.978 -6.978 43 H TYR 7 HN TYR 7 -6.194 -7.948 -7.948 44 HA TYR 7 HA TYR 7 -5.171 -6.328 -6.328 45 1HB TYR 7 HB2 TYR 7 -3.122 -7.880 -7.880 46 2HB TYR 7 HB1 TYR 7 -4.593 -8.522 -8.522 47 HD1 TYR 7 HD2 TYR 7 -2.406 -8.613 -8.613 48 HD2 TYR 7 HD1 TYR 7 -5.866 -10.291 -10.291 49 HE1 TYR 7 HE2 TYR 7 -2.399 -10.483 -10.483 50 HE2 TYR 7 HE1 TYR 7 -5.860 -12.162 -12.162 51 HH TYR 7 HH TYR 7 -4.505 -12.163 -12.163 52 H ALA 8 HN ALA 8 -3.498 -4.929 -4.929 53 HA ALA 8 HA ALA 8 -2.566 -4.994 -4.994 54 1HB ALA 8 HB3 ALA 8 -4.023 -2.953 -2.953 55 2HB ALA 8 HB2 ALA 8 -2.363 -2.370 -2.370 56 3HB ALA 8 HB1 ALA 8 -3.232 -2.860 -2.860 57 H GLU 9 HN GLU 9 -0.348 -5.232 -5.232 58 HA GLU 9 HA GLU 9 1.289 -4.109 -4.109 59 1HB GLU 9 HB2 GLU 9 2.524 -6.168 -6.168 60 2HB GLU 9 HB1 GLU 9 0.809 -6.543 -6.543 61 1HG GLU 9 HG2 GLU 9 1.477 -8.226 -8.226 62 2HG GLU 9 HG1 GLU 9 0.963 -6.981 -6.981 63 H GLY 10 HN GLY 10 3.287 -3.382 -3.382 64 1HA GLY 10 HA2 GLY 10 4.476 -4.196 -4.196 65 2HA GLY 10 HA1 GLY 10 3.798 -2.575 -2.575 66 HA PRO 11 HA PRO 11 8.043 -2.358 -2.358 67 1HB PRO 11 HB2 PRO 11 9.350 -1.300 -1.300 68 2HB PRO 11 HB1 PRO 11 9.283 -3.038 -3.038 69 1HG PRO 11 HG2 PRO 11 7.811 -1.473 -1.473 70 2HG PRO 11 HG1 PRO 11 8.270 -3.184 -3.184 71 1HD PRO 11 HD2 PRO 11 5.693 -2.168 -2.168 72 2HD PRO 11 HD1 PRO 11 6.255 -3.820 -3.820 73 H GLY 12 HN GLY 12 5.538 -0.575 -0.575 74 1HA GLY 12 HA2 GLY 12 6.825 2.057 2.057 75 2HA GLY 12 HA1 GLY 12 5.408 1.842 1.842 76 H LEU 13 HN LEU 13 5.503 3.524 3.524 77 HA LEU 13 HA LEU 13 3.809 4.057 4.057 78 1HB LEU 13 HB2 LEU 13 1.924 2.880 2.880 79 2HB LEU 13 HB1 LEU 13 2.742 1.716 1.716 80 HG LEU 13 HG LEU 13 2.930 1.555 1.555 81 1HD1 LEU 13 HD12 LEU 13 0.626 1.053 1.053 82 2HD1 LEU 13 HD11 LEU 13 1.039 -0.283 -0.283 83 3HD1 LEU 13 HD13 LEU 13 0.694 1.313 1.313 84 1HD2 LEU 13 HD22 LEU 13 3.045 -0.536 -0.536 85 2HD2 LEU 13 HD21 LEU 13 4.441 0.114 0.114 86 3HD2 LEU 13 HD23 LEU 13 3.245 -0.854 -0.854 87 H ASP 14 HN ASP 14 5.931 1.367 1.367 88 HA ASP 14 HA ASP 14 5.882 0.836 0.836 89 1HB ASP 14 HB2 ASP 14 8.491 1.254 1.254 90 2HB ASP 14 HB1 ASP 14 8.076 0.032 0.032 91 H GLY 15 HN GLY 15 6.811 3.670 3.670 92 1HA GLY 15 HA2 GLY 15 7.149 5.846 5.846 93 2HA GLY 15 HA1 GLY 15 7.191 5.130 5.130 94 H GLY 16 HN GLY 16 9.040 5.618 5.618 95 1HA GLY 16 HA2 GLY 16 11.350 5.735 5.735 96 2HA GLY 16 HA1 GLY 16 11.542 4.617 4.617 97 H GLU 17 HN GLU 17 11.098 5.807 5.807 98 HA GLU 17 HA GLU 17 12.463 8.458 8.458 99 1HB GLU 17 HB2 GLU 17 13.050 6.112 6.112 100 2HB GLU 17 HB1 GLU 17 13.492 7.729 7.729 101 1HG GLU 17 HG2 GLU 17 14.723 8.032 8.032 102 2HG GLU 17 HG1 GLU 17 14.345 6.362 6.362 103 H CYS 18 HN CYS 18 11.818 10.005 10.005 104 HA CYS 18 HA CYS 18 9.287 9.618 9.618 105 1HB CYS 18 HB2 CYS 18 10.881 12.006 12.006 106 2HB CYS 18 HB1 CYS 18 9.849 12.165 12.165 107 HG CYS 18 HG CYS 18 7.871 11.207 11.207 108 H PHE 19 HN PHE 19 12.671 9.820 9.820 109 HA PHE 19 HA PHE 19 12.267 10.549 10.549 110 1HB PHE 19 HB2 PHE 19 14.707 10.007 10.007 111 2HB PHE 19 HB1 PHE 19 14.812 10.194 10.194 112 HD1 PHE 19 HD1 PHE 19 12.892 11.789 11.789 113 HD2 PHE 19 HD2 PHE 19 15.346 12.369 12.369 114 HE1 PHE 19 HE1 PHE 19 12.618 14.232 14.232 115 HE2 PHE 19 HE2 PHE 19 15.080 14.827 14.827 116 HZ PHE 19 HZ PHE 19 13.699 15.734 15.734 117 H GLN 20 HN GLN 20 11.577 7.870 7.870 118 HA GLN 20 HA GLN 20 12.825 6.046 6.046 119 1HB GLN 20 HB2 GLN 20 11.154 5.465 5.465 120 2HB GLN 20 HB1 GLN 20 11.851 4.240 4.240 121 1HG GLN 20 HG2 GLN 20 13.476 6.337 6.337 122 2HG GLN 20 HG1 GLN 20 13.232 4.689 4.689 123 1HE2 GLN 20 HE22 GLN 20 16.236 5.272 5.272 124 2HE2 GLN 20 HE21 GLN 20 15.553 6.440 6.440 125 HA PRO 21 HA PRO 21 9.077 6.201 6.201 126 1HB PRO 21 HB2 PRO 21 9.112 3.687 3.687 127 2HB PRO 21 HB1 PRO 21 10.116 5.037 5.037 128 1HG PRO 21 HG2 PRO 21 10.905 2.657 2.657 129 2HG PRO 21 HG1 PRO 21 11.870 3.602 3.602 130 1HD PRO 21 HD2 PRO 21 12.029 3.835 3.835 131 2HD PRO 21 HD1 PRO 21 12.585 5.066 5.066 132 H SER 22 HN SER 22 6.972 5.930 5.930 133 HA SER 22 HA SER 22 6.575 3.712 3.712 134 1HB SER 22 HB2 SER 22 6.013 6.391 6.391 135 2HB SER 22 HB1 SER 22 4.461 5.681 5.681 136 HG SER 22 HG SER 22 5.901 5.522 5.522 137 H LYS 23 HN LYS 23 5.750 1.939 1.939 138 HA LYS 23 HA LYS 23 3.297 2.274 2.274 139 1HB LYS 23 HB2 LYS 23 5.496 0.565 0.565 140 2HB LYS 23 HB1 LYS 23 4.105 1.259 1.259 141 1HG LYS 23 HG2 LYS 23 5.093 3.531 3.531 142 2HG LYS 23 HG1 LYS 23 6.529 2.763 2.763 143 1HD LYS 23 HD2 LYS 23 6.715 1.443 1.443 144 2HD LYS 23 HD1 LYS 23 5.440 2.467 2.467 145 1HE LYS 23 HE2 LYS 23 7.063 4.390 4.390 146 2HE LYS 23 HE1 LYS 23 8.270 3.139 3.139 147 1HZ LYS 23 HZ2 LYS 23 7.261 2.898 2.898 148 2HZ LYS 23 HZ1 LYS 23 6.364 4.307 4.307 149 3HZ LYS 23 HZ3 LYS 23 8.059 4.373 4.373 150 H PHE 24 HN PHE 24 1.929 0.578 0.578 151 HA PHE 24 HA PHE 24 3.066 -1.961 -1.961 152 1HB PHE 24 HB2 PHE 24 0.647 -1.545 -1.545 153 2HB PHE 24 HB1 PHE 24 2.276 -1.727 -1.727 154 HD1 PHE 24 HD1 PHE 24 3.789 0.450 0.450 155 HD2 PHE 24 HD2 PHE 24 -0.490 0.395 0.395 156 HE1 PHE 24 HE1 PHE 24 3.810 2.834 2.834 157 HE2 PHE 24 HE2 PHE 24 -0.465 2.785 2.785 158 HZ PHE 24 HZ PHE 24 1.696 3.989 3.989 159 H LYS 25 HN LYS 25 1.533 -3.768 -3.768 160 HA LYS 25 HA LYS 25 -0.496 -3.244 -3.244 161 1HB LYS 25 HB2 LYS 25 0.770 -5.927 -5.927 162 2HB LYS 25 HB1 LYS 25 -0.049 -5.400 -5.400 163 1HG LYS 25 HG2 LYS 25 1.890 -3.568 -3.568 164 2HG LYS 25 HG1 LYS 25 2.727 -4.818 -4.818 165 1HD LYS 25 HD2 LYS 25 1.566 -6.244 -6.244 166 2HD LYS 25 HD1 LYS 25 2.071 -4.743 -4.743 167 1HE LYS 25 HE2 LYS 25 4.201 -5.461 -5.461 168 2HE LYS 25 HE1 LYS 25 4.164 -5.554 -5.554 169 1HZ LYS 25 HZ2 LYS 25 2.825 -7.707 -7.707 170 2HZ LYS 25 HZ1 LYS 25 4.517 -7.667 -7.667 171 3HZ LYS 25 HZ3 LYS 25 3.805 -7.760 -7.760 172 H ILE 26 HN ILE 26 -2.580 -4.035 -4.035 173 HA ILE 26 HA ILE 26 -3.014 -5.144 -5.144 174 HB ILE 26 HB ILE 26 -5.140 -3.842 -3.842 175 1HG1 ILE 26 HG12 ILE 26 -2.827 -2.607 -2.607 176 2HG1 ILE 26 HG11 ILE 26 -3.590 -2.102 -2.102 177 1HG2 ILE 26 HG23 ILE 26 -4.640 -4.189 -4.189 178 2HG2 ILE 26 HG22 ILE 26 -5.991 -3.282 -3.282 179 3HG2 ILE 26 HG21 ILE 26 -5.863 -5.018 -5.018 180 1HD1 ILE 26 HD11 ILE 26 -5.640 -1.826 -1.826 181 2HD1 ILE 26 HD13 ILE 26 -4.225 -1.346 -1.346 182 3HD1 ILE 26 HD12 ILE 26 -4.605 -0.519 -0.519 183 H HIS 27 HN HIS 27 -4.534 -6.799 -6.799 184 HA HIS 27 HA HIS 27 -5.466 -8.186 -8.186 185 1HB HIS 27 HB2 HIS 27 -4.189 -9.722 -9.722 186 2HB HIS 27 HB1 HIS 27 -4.518 -10.267 -10.267 187 HD1 HIS 27 HD1 HIS 27 -2.544 -7.406 -7.406 188 HD2 HIS 27 HD2 HIS 27 -2.202 -10.211 -10.211 189 HE1 HIS 27 HE1 HIS 27 -0.333 -6.971 -6.971 190 H ALA 28 HN ALA 28 -7.599 -8.459 -8.459 191 HA ALA 28 HA ALA 28 -8.703 -8.743 -8.743 192 1HB ALA 28 HB2 ALA 28 -9.677 -7.566 -7.566 193 2HB ALA 28 HB1 ALA 28 -10.882 -8.456 -8.456 194 3HB ALA 28 HB3 ALA 28 -10.027 -7.101 -7.101 195 H VAL 29 HN VAL 29 -9.852 -10.596 -10.596 196 HA VAL 29 HA VAL 29 -10.274 -12.626 -12.626 197 HB VAL 29 HB VAL 29 -8.838 -12.917 -12.917 198 1HG1 VAL 29 HG12 VAL 29 -10.694 -14.964 -14.964 199 2HG1 VAL 29 HG11 VAL 29 -9.300 -15.454 -15.454 200 3HG1 VAL 29 HG13 VAL 29 -10.572 -14.473 -14.473 201 1HG2 VAL 29 HG23 VAL 29 -8.582 -13.842 -13.842 202 2HG2 VAL 29 HG22 VAL 29 -7.402 -13.002 -13.002 203 3HG2 VAL 29 HG21 VAL 29 -7.736 -14.711 -14.711 204 H ASP 30 HN ASP 30 -12.317 -13.345 -13.345 205 HA ASP 30 HA ASP 30 -14.124 -12.617 -12.617 206 1HB ASP 30 HB2 ASP 30 -15.807 -12.310 -12.310 207 2HB ASP 30 HB1 ASP 30 -14.404 -11.874 -11.874 208 HA PRO 31 HA PRO 31 -15.092 -16.851 -16.851 209 1HB PRO 31 HB2 PRO 31 -17.807 -17.137 -17.137 210 2HB PRO 31 HB1 PRO 31 -17.057 -16.309 -16.309 211 1HG PRO 31 HG2 PRO 31 -18.495 -15.143 -15.143 212 2HG PRO 31 HG1 PRO 31 -18.247 -14.467 -14.467 213 1HD PRO 31 HD2 PRO 31 -16.824 -13.775 -13.775 214 2HD PRO 31 HD1 PRO 31 -16.412 -13.283 -13.283 215 H ASP 32 HN ASP 32 -14.852 -16.012 -16.012 216 HA ASP 32 HA ASP 32 -15.967 -18.615 -18.615 217 1HB ASP 32 HB2 ASP 32 -15.598 -15.966 -15.966 218 2HB ASP 32 HB1 ASP 32 -15.944 -17.476 -17.476 219 H GLY 33 HN GLY 33 -13.201 -17.456 -17.456 220 1HA GLY 33 HA2 GLY 33 -10.961 -18.110 -18.110 221 2HA GLY 33 HA1 GLY 33 -11.550 -19.207 -19.207 222 H VAL 34 HN VAL 34 -12.348 -15.831 -15.831 223 HA VAL 34 HA VAL 34 -10.506 -15.151 -15.151 224 HB VAL 34 HB VAL 34 -13.336 -14.305 -14.305 225 1HG1 VAL 34 HG11 VAL 34 -11.105 -14.085 -14.085 226 2HG1 VAL 34 HG13 VAL 34 -11.727 -15.607 -15.607 227 3HG1 VAL 34 HG12 VAL 34 -12.720 -14.150 -14.150 228 1HG2 VAL 34 HG21 VAL 34 -12.416 -17.174 -17.174 229 2HG2 VAL 34 HG23 VAL 34 -13.828 -16.567 -16.567 230 3HG2 VAL 34 HG22 VAL 34 -13.791 -16.533 -16.533 231 H HIS 35 HN HIS 35 -11.042 -12.684 -12.684 232 HA HIS 35 HA HIS 35 -11.032 -11.263 -11.263 233 1HB HIS 35 HB2 HIS 35 -10.599 -10.120 -10.120 234 2HB HIS 35 HB1 HIS 35 -10.191 -9.359 -9.359 235 HD1 HIS 35 HD1 HIS 35 -7.676 -9.386 -9.386 236 HD2 HIS 35 HD2 HIS 35 -9.216 -13.031 -13.031 237 HE1 HIS 35 HE1 HIS 35 -5.702 -10.948 -10.948 238 H ARG 36 HN ARG 36 -13.394 -12.032 -12.032 239 HA ARG 36 HA ARG 36 -15.678 -11.631 -11.631 240 1HB ARG 36 HB2 ARG 36 -16.315 -9.237 -9.237 241 2HB ARG 36 HB1 ARG 36 -15.122 -9.756 -9.756 242 1HG ARG 36 HG2 ARG 36 -13.343 -8.663 -8.663 243 2HG ARG 36 HG1 ARG 36 -14.378 -8.362 -8.362 244 1HD ARG 36 HD2 ARG 36 -14.720 -7.173 -7.173 245 2HD ARG 36 HD1 ARG 36 -14.186 -6.316 -6.316 246 HE ARG 36 HE ARG 36 -16.486 -6.848 -6.848 247 1HH1 ARG 36 HH21 ARG 36 -15.832 -5.841 -5.841 248 2HH1 ARG 36 HH22 ARG 36 -17.467 -5.967 -5.967 249 1HH2 ARG 36 HH11 ARG 36 -18.621 -7.450 -7.450 250 2HH2 ARG 36 HH12 ARG 36 -19.047 -6.878 -6.878 251 H THR 37 HN THR 37 -15.335 -12.597 -12.597 252 HA THR 37 HA THR 37 -15.627 -12.499 -12.499 253 HB THR 37 HB THR 37 -17.435 -10.155 -10.155 254 HG1 THR 37 HG1 THR 37 -17.976 -11.684 -11.684 255 1HG2 THR 37 HG22 THR 37 -16.866 -11.353 -11.353 256 2HG2 THR 37 HG21 THR 37 -18.192 -12.378 -12.378 257 3HG2 THR 37 HG23 THR 37 -18.439 -10.641 -10.641 258 H ASP 38 HN ASP 38 -13.438 -11.698 -11.698 259 HA ASP 38 HA ASP 38 -12.479 -9.105 -9.105 260 1HB ASP 38 HB2 ASP 38 -11.522 -11.364 -11.364 261 2HB ASP 38 HB1 ASP 38 -11.950 -10.477 -10.477 262 H GLY 39 HN GLY 39 -12.145 -7.585 -7.585 263 1HA GLY 39 HA2 GLY 39 -13.082 -6.429 -6.429 264 2HA GLY 39 HA1 GLY 39 -14.480 -7.503 -7.503 265 H GLY 40 HN GLY 40 -15.074 -7.128 -7.128 266 1HA GLY 40 HA2 GLY 40 -15.626 -4.208 -4.208 267 2HA GLY 40 HA1 GLY 40 -16.980 -5.331 -5.331 268 H ASP 41 HN ASP 41 -13.731 -4.976 -4.976 269 HA ASP 41 HA ASP 41 -14.845 -6.098 -6.098 270 1HB ASP 41 HB2 ASP 41 -12.048 -5.176 -5.176 271 2HB ASP 41 HB1 ASP 41 -12.478 -5.851 -5.851 272 H GLY 42 HN GLY 42 -15.653 -4.777 -4.777 273 1HA GLY 42 HA2 GLY 42 -15.635 -1.906 -1.906 274 2HA GLY 42 HA1 GLY 42 -16.193 -2.793 -2.793 275 H PHE 43 HN PHE 43 -13.102 -2.191 -2.191 276 HA PHE 43 HA PHE 43 -11.761 -2.096 -2.096 277 1HB PHE 43 HB2 PHE 43 -11.075 -3.162 -3.162 278 2HB PHE 43 HB1 PHE 43 -9.972 -1.821 -1.821 279 HD1 PHE 43 HD2 PHE 43 -9.941 -1.979 -1.979 280 HD2 PHE 43 HD1 PHE 43 -9.599 -4.990 -4.990 281 HE1 PHE 43 HE2 PHE 43 -8.624 -3.408 -3.408 282 HE2 PHE 43 HE1 PHE 43 -8.273 -6.404 -6.404 283 HZ PHE 43 HZ PHE 43 -7.789 -5.616 -5.616 284 H VAL 44 HN VAL 44 -11.736 -0.055 -0.055 285 HA VAL 44 HA VAL 44 -11.025 2.155 2.155 286 HB VAL 44 HB VAL 44 -12.965 3.110 3.110 287 1HG1 VAL 44 HG12 VAL 44 -12.891 0.958 0.958 288 2HG1 VAL 44 HG11 VAL 44 -13.954 2.334 2.334 289 3HG1 VAL 44 HG13 VAL 44 -14.141 1.343 1.343 290 1HG2 VAL 44 HG22 VAL 44 -11.169 4.329 4.329 291 2HG2 VAL 44 HG21 VAL 44 -12.807 4.469 4.469 292 3HG2 VAL 44 HG23 VAL 44 -11.661 3.359 3.359 293 H VAL 45 HN VAL 45 -8.931 2.669 2.669 294 HA VAL 45 HA VAL 45 -7.854 2.528 2.528 295 HB VAL 45 HB VAL 45 -6.137 2.366 2.366 296 1HG1 VAL 45 HG11 VAL 45 -5.918 1.621 1.621 297 2HG1 VAL 45 HG13 VAL 45 -4.847 0.895 0.895 298 3HG1 VAL 45 HG12 VAL 45 -4.846 2.641 2.641 299 1HG2 VAL 45 HG21 VAL 45 -8.148 0.474 0.474 300 2HG2 VAL 45 HG23 VAL 45 -6.933 0.343 0.343 301 3HG2 VAL 45 HG22 VAL 45 -6.578 -0.235 -0.235 302 H THR 46 HN THR 46 -6.375 4.213 4.213 303 HA THR 46 HA THR 46 -5.906 6.402 6.402 304 HB THR 46 HB THR 46 -7.093 7.847 7.847 305 HG1 THR 46 HG1 THR 46 -8.787 6.786 6.786 306 1HG2 THR 46 HG23 THR 46 -7.148 8.151 8.151 307 2HG2 THR 46 HG22 THR 46 -8.461 6.974 6.974 308 3HG2 THR 46 HG21 THR 46 -8.663 8.499 8.499 309 H ILE 47 HN ILE 47 -4.007 7.265 7.265 310 HA ILE 47 HA ILE 47 -3.025 7.133 7.133 311 HB ILE 47 HB ILE 47 -1.606 6.625 6.625 312 1HG1 ILE 47 HG12 ILE 47 -2.134 5.220 5.220 313 2HG1 ILE 47 HG11 ILE 47 -1.722 4.561 4.561 314 1HG2 ILE 47 HG22 ILE 47 -0.307 7.689 7.689 315 2HG2 ILE 47 HG21 ILE 47 0.570 7.034 7.034 316 3HG2 ILE 47 HG23 ILE 47 -0.373 8.509 8.509 317 1HD1 ILE 47 HD12 ILE 47 0.660 5.438 5.438 318 2HD1 ILE 47 HD11 ILE 47 0.151 5.599 5.599 319 3HD1 ILE 47 HD13 ILE 47 0.149 4.015 4.015 320 H GLU 48 HN GLU 48 -1.652 8.926 8.926 321 HA GLU 48 HA GLU 48 -1.164 11.079 11.079 322 1HB GLU 48 HB2 GLU 48 -2.726 12.690 12.690 323 2HB GLU 48 HB1 GLU 48 -3.337 11.863 11.863 324 1HG GLU 48 HG2 GLU 48 -4.701 10.521 10.521 325 2HG GLU 48 HG1 GLU 48 -3.465 10.230 10.230 326 H GLY 49 HN GLY 49 -0.065 12.845 12.845 327 1HA GLY 49 HA2 GLY 49 0.572 12.860 12.860 328 2HA GLY 49 HA1 GLY 49 1.914 12.333 12.333 329 HA PRO 50 HA PRO 50 1.874 16.971 16.971 330 1HB PRO 50 HB2 PRO 50 4.438 17.258 17.258 331 2HB PRO 50 HB1 PRO 50 3.014 17.147 17.147 332 1HG PRO 50 HG2 PRO 50 5.100 15.091 15.091 333 2HG PRO 50 HG1 PRO 50 4.083 15.294 15.294 334 1HD PRO 50 HD2 PRO 50 3.678 13.398 13.398 335 2HD PRO 50 HD1 PRO 50 2.500 13.841 13.841 336 H ALA 51 HN ALA 51 1.933 16.103 16.103 337 HA ALA 51 HA ALA 51 4.429 17.075 17.075 338 1HB ALA 51 HB2 ALA 51 4.052 14.308 14.308 339 2HB ALA 51 HB1 ALA 51 3.700 14.593 14.593 340 3HB ALA 51 HB3 ALA 51 5.258 15.074 15.074 341 HA PRO 52 HA PRO 52 1.702 18.189 18.189 342 1HB PRO 52 HB2 PRO 52 3.095 17.535 17.535 343 2HB PRO 52 HB1 PRO 52 3.510 18.905 18.905 344 1HG PRO 52 HG2 PRO 52 4.882 16.271 16.271 345 2HG PRO 52 HG1 PRO 52 5.547 17.834 17.834 346 1HD PRO 52 HD2 PRO 52 4.858 15.698 15.698 347 2HD PRO 52 HD1 PRO 52 5.206 17.368 17.368 348 H VAL 53 HN VAL 53 3.144 15.016 15.016 349 HA VAL 53 HA VAL 53 0.575 14.192 14.192 350 HB VAL 53 HB VAL 53 3.092 12.534 12.534 351 1HG1 VAL 53 HG11 VAL 53 0.507 12.227 12.227 352 2HG1 VAL 53 HG13 VAL 53 1.674 12.386 12.386 353 3HG1 VAL 53 HG12 VAL 53 1.881 11.125 11.125 354 1HG2 VAL 53 HG22 VAL 53 2.506 14.950 14.950 355 2HG2 VAL 53 HG21 VAL 53 4.047 14.377 14.377 356 3HG2 VAL 53 HG23 VAL 53 3.336 13.599 13.599 357 H ASP 54 HN ASP 54 -0.451 14.171 14.171 358 HA ASP 54 HA ASP 54 0.502 11.987 11.987 359 1HB ASP 54 HB2 ASP 54 -1.675 14.060 14.060 360 2HB ASP 54 HB1 ASP 54 -1.310 12.816 12.816 361 HA PRO 55 HA PRO 55 -3.827 10.319 10.319 362 1HB PRO 55 HB2 PRO 55 -5.196 11.553 11.553 363 2HB PRO 55 HB1 PRO 55 -5.334 12.035 12.035 364 1HG PRO 55 HG2 PRO 55 -3.928 13.416 13.416 365 2HG PRO 55 HG1 PRO 55 -4.573 14.089 14.089 366 1HD PRO 55 HD2 PRO 55 -1.843 13.485 13.485 367 2HD PRO 55 HD1 PRO 55 -2.532 13.952 13.952 368 H VAL 56 HN VAL 56 -2.510 8.590 8.590 369 HA VAL 56 HA VAL 56 -2.555 8.601 8.601 370 HB VAL 56 HB VAL 56 -0.342 7.460 7.460 371 1HG1 VAL 56 HG11 VAL 56 -0.969 7.773 7.773 372 2HG1 VAL 56 HG13 VAL 56 0.714 8.004 8.004 373 3HG1 VAL 56 HG12 VAL 56 -0.099 6.481 6.481 374 1HG2 VAL 56 HG22 VAL 56 -0.791 10.110 10.110 375 2HG2 VAL 56 HG21 VAL 56 0.842 9.451 9.451 376 3HG2 VAL 56 HG23 VAL 56 0.038 9.982 9.982 377 H MET 57 HN MET 57 -4.307 7.076 7.076 378 HA MET 57 HA MET 57 -3.424 4.367 4.367 379 1HB MET 57 HB2 MET 57 -5.492 3.825 3.825 380 2HB MET 57 HB1 MET 57 -4.887 5.313 5.313 381 1HG MET 57 HG2 MET 57 -7.108 5.894 5.894 382 2HG MET 57 HG1 MET 57 -6.343 6.463 6.463 383 1HE MET 57 HE2 MET 57 -7.277 3.454 3.454 384 2HE MET 57 HE1 MET 57 -8.754 2.868 2.868 385 3HE MET 57 HE3 MET 57 -7.178 2.278 2.278 386 H VAL 58 HN VAL 58 -3.913 2.819 2.819 387 HA VAL 58 HA VAL 58 -5.889 3.508 3.508 388 HB VAL 58 HB VAL 58 -3.581 1.871 1.871 389 1HG1 VAL 58 HG11 VAL 58 -5.577 3.711 3.711 390 2HG1 VAL 58 HG13 VAL 58 -3.962 4.006 4.006 391 3HG1 VAL 58 HG12 VAL 58 -4.696 2.410 2.410 392 1HG2 VAL 58 HG21 VAL 58 -2.493 3.608 3.608 393 2HG2 VAL 58 HG23 VAL 58 -2.080 3.787 3.787 394 3HG2 VAL 58 HG22 VAL 58 -3.275 4.857 4.857 395 H ASP 59 HN ASP 59 -6.799 1.618 1.618 396 HA ASP 59 HA ASP 59 -6.680 -0.841 -0.841 397 1HB ASP 59 HB2 ASP 59 -8.884 0.031 0.031 398 2HB ASP 59 HB1 ASP 59 -8.924 0.433 0.433 399 H ASN 60 HN ASN 60 -5.991 -2.692 -2.692 400 HA ASN 60 HA ASN 60 -5.323 -2.508 -2.508 401 1HB ASN 60 HB2 ASN 60 -4.099 -3.717 -3.717 402 2HB ASN 60 HB1 ASN 60 -4.828 -5.078 -5.078 403 1HD2 ASN 60 HD22 ASN 60 -1.824 -2.945 -2.945 404 2HD2 ASN 60 HD21 ASN 60 -2.617 -2.300 -2.300 405 H GLY 61 HN GLY 61 -7.931 -3.740 -3.740 406 1HA GLY 61 HA2 GLY 61 -9.889 -4.752 -4.752 407 2HA GLY 61 HA1 GLY 61 -9.136 -4.810 -4.810 408 H ASP 62 HN ASP 62 -6.835 -6.125 -6.125 409 HA ASP 62 HA ASP 62 -7.773 -8.874 -8.874 410 1HB ASP 62 HB2 ASP 62 -5.422 -9.521 -9.521 411 2HB ASP 62 HB1 ASP 62 -5.525 -8.230 -8.230 412 H GLY 63 HN GLY 63 -8.926 -7.420 -7.420 413 1HA GLY 63 HA2 GLY 63 -9.586 -7.997 -7.997 414 2HA GLY 63 HA1 GLY 63 -8.623 -9.466 -9.466 415 H THR 64 HN THR 64 -6.581 -7.004 -7.004 416 HA THR 64 HA THR 64 -5.735 -6.581 -6.581 417 HB THR 64 HB THR 64 -3.415 -6.784 -6.784 418 HG1 THR 64 HG1 THR 64 -3.434 -6.122 -6.122 419 1HG2 THR 64 HG22 THR 64 -5.342 -8.907 -8.907 420 2HG2 THR 64 HG21 THR 64 -4.074 -9.252 -9.252 421 3HG2 THR 64 HG23 THR 64 -3.655 -8.973 -8.973 422 H TYR 65 HN TYR 65 -4.730 -4.539 -4.539 423 HA TYR 65 HA TYR 65 -5.019 -2.580 -2.580 424 1HB TYR 65 HB2 TYR 65 -5.709 -2.233 -2.233 425 2HB TYR 65 HB1 TYR 65 -5.697 -0.917 -0.917 426 HD1 TYR 65 HD1 TYR 65 -6.968 -4.445 -4.445 427 HD2 TYR 65 HD2 TYR 65 -7.721 -0.415 -0.415 428 HE1 TYR 65 HE1 TYR 65 -9.168 -5.130 -5.130 429 HE2 TYR 65 HE2 TYR 65 -9.938 -1.095 -1.095 430 HH TYR 65 HH TYR 65 -10.848 -4.394 -4.394 431 H ASP 66 HN ASP 66 -3.573 -0.744 -0.744 432 HA ASP 66 HA ASP 66 -1.173 -1.190 -1.190 433 1HB ASP 66 HB2 ASP 66 -0.589 -1.918 -1.918 434 2HB ASP 66 HB1 ASP 66 -1.259 -0.443 -0.443 435 H VAL 67 HN VAL 67 -0.730 0.581 0.581 436 HA VAL 67 HA VAL 67 -1.718 3.205 3.205 437 HB VAL 67 HB VAL 67 -2.284 3.832 3.832 438 1HG1 VAL 67 HG11 VAL 67 -3.790 2.093 2.093 439 2HG1 VAL 67 HG13 VAL 67 -2.898 0.868 0.868 440 3HG1 VAL 67 HG12 VAL 67 -3.825 2.099 2.099 441 1HG2 VAL 67 HG22 VAL 67 -0.599 1.486 1.486 442 2HG2 VAL 67 HG21 VAL 67 -0.420 3.176 3.176 443 3HG2 VAL 67 HG23 VAL 67 -1.754 2.216 2.216 444 H GLU 68 HN GLU 68 -0.207 5.037 5.037 445 HA GLU 68 HA GLU 68 2.428 4.359 4.359 446 1HB GLU 68 HB2 GLU 68 2.415 5.430 5.430 447 2HB GLU 68 HB1 GLU 68 3.694 4.564 4.564 448 1HG GLU 68 HG2 GLU 68 2.428 2.481 2.481 449 2HG GLU 68 HG1 GLU 68 1.045 3.331 3.331 450 H PHE 69 HN PHE 69 3.242 6.115 6.115 451 HA PHE 69 HA PHE 69 2.734 8.784 8.784 452 1HB PHE 69 HB2 PHE 69 2.265 9.837 9.837 453 2HB PHE 69 HB1 PHE 69 1.121 8.517 8.517 454 HD1 PHE 69 HD2 PHE 69 2.216 6.133 6.133 455 HD2 PHE 69 HD1 PHE 69 3.176 10.052 10.052 456 HE1 PHE 69 HE2 PHE 69 3.016 5.156 5.156 457 HE2 PHE 69 HE1 PHE 69 3.967 9.066 9.066 458 HZ PHE 69 HZ PHE 69 3.875 6.601 6.601 459 H GLU 70 HN GLU 70 4.506 10.339 10.339 460 HA GLU 70 HA GLU 70 6.833 9.094 9.094 461 1HB GLU 70 HB2 GLU 70 8.309 9.357 9.357 462 2HB GLU 70 HB1 GLU 70 6.903 8.443 8.443 463 1HG GLU 70 HG2 GLU 70 6.056 10.985 10.985 464 2HG GLU 70 HG1 GLU 70 7.788 11.160 11.160 465 HA PRO 71 HA PRO 71 6.695 13.521 13.521 466 1HB PRO 71 HB2 PRO 71 7.640 13.138 13.138 467 2HB PRO 71 HB1 PRO 71 5.933 12.968 12.968 468 1HG PRO 71 HG2 PRO 71 7.930 10.844 10.844 469 2HG PRO 71 HG1 PRO 71 6.166 10.800 10.800 470 1HD PRO 71 HD2 PRO 71 7.712 9.650 9.650 471 2HD PRO 71 HD1 PRO 71 5.947 9.852 9.852 472 H LYS 72 HN LYS 72 8.487 14.940 14.940 473 HA LYS 72 HA LYS 72 11.241 13.902 13.902 474 1HB LYS 72 HB2 LYS 72 10.355 16.653 16.653 475 2HB LYS 72 HB1 LYS 72 11.824 15.789 15.789 476 1HG LYS 72 HG2 LYS 72 10.704 15.144 15.144 477 2HG LYS 72 HG1 LYS 72 9.799 14.064 14.064 478 1HD LYS 72 HD2 LYS 72 8.034 15.646 15.646 479 2HD LYS 72 HD1 LYS 72 8.993 16.945 16.945 480 1HE LYS 72 HE2 LYS 72 8.034 14.466 14.466 481 2HE LYS 72 HE1 LYS 72 7.333 16.076 16.076 482 1HZ LYS 72 HZ3 LYS 72 9.794 16.707 16.707 483 2HZ LYS 72 HZ2 LYS 72 9.910 15.070 15.070 484 3HZ LYS 72 HZ1 LYS 72 8.782 16.079 16.079 485 H GLU 73 HN GLU 73 9.724 14.532 14.532 486 HA GLU 73 HA GLU 73 11.844 16.168 16.168 487 1HB GLU 73 HB2 GLU 73 10.328 17.804 17.804 488 2HB GLU 73 HB1 GLU 73 10.097 17.811 17.811 489 1HG GLU 73 HG2 GLU 73 7.970 17.054 17.054 490 2HG GLU 73 HG1 GLU 73 8.395 15.861 15.861 491 H ALA 74 HN ALA 74 10.462 16.524 16.524 492 HA ALA 74 HA ALA 74 10.401 13.717 13.717 493 1HB ALA 74 HB2 ALA 74 11.333 16.120 16.120 494 2HB ALA 74 HB1 ALA 74 9.872 15.728 15.728 495 3HB ALA 74 HB3 ALA 74 11.192 14.561 14.561 496 H GLY 75 HN GLY 75 8.423 12.723 12.723 497 1HA GLY 75 HA2 GLY 75 6.052 14.273 14.273 498 2HA GLY 75 HA1 GLY 75 6.043 13.708 13.708 499 H ASP 76 HN ASP 76 4.119 12.903 12.903 500 HA ASP 76 HA ASP 76 4.828 10.039 10.039 501 1HB ASP 76 HB2 ASP 76 2.662 10.245 10.245 502 2HB ASP 76 HB1 ASP 76 4.180 10.890 10.890 503 H TYR 77 HN TYR 77 3.123 8.510 8.510 504 HA TYR 77 HA TYR 77 1.486 9.513 9.513 505 1HB TYR 77 HB2 TYR 77 2.226 6.639 6.639 506 2HB TYR 77 HB1 TYR 77 1.636 7.364 7.364 507 HD1 TYR 77 HD1 TYR 77 3.404 9.900 9.900 508 HD2 TYR 77 HD2 TYR 77 4.187 5.690 5.690 509 HE1 TYR 77 HE1 TYR 77 5.714 10.296 10.296 510 HE2 TYR 77 HE2 TYR 77 6.492 6.073 6.073 511 HH TYR 77 HH TYR 77 7.627 9.354 9.354 512 H VAL 78 HN VAL 78 -0.625 9.089 9.089 513 HA VAL 78 HA VAL 78 -1.776 7.469 7.469 514 HB VAL 78 HB VAL 78 -2.594 9.626 9.626 515 1HG1 VAL 78 HG12 VAL 78 -2.347 9.890 9.890 516 2HG1 VAL 78 HG11 VAL 78 -3.708 10.755 10.755 517 3HG1 VAL 78 HG13 VAL 78 -2.065 11.086 11.086 518 1HG2 VAL 78 HG23 VAL 78 -4.566 8.247 8.247 519 2HG2 VAL 78 HG22 VAL 78 -4.414 8.022 8.022 520 3HG2 VAL 78 HG21 VAL 78 -4.979 9.564 9.564 521 H ILE 79 HN ILE 79 -2.817 5.715 5.715 522 HA ILE 79 HA ILE 79 -3.262 5.545 5.545 523 HB ILE 79 HB ILE 79 -3.400 2.976 2.976 524 1HG1 ILE 79 HG12 ILE 79 -1.975 4.049 4.049 525 2HG1 ILE 79 HG11 ILE 79 -1.083 2.836 2.836 526 1HG2 ILE 79 HG23 ILE 79 -2.870 3.569 3.569 527 2HG2 ILE 79 HG22 ILE 79 -1.287 4.114 4.114 528 3HG2 ILE 79 HG21 ILE 79 -1.751 2.421 2.421 529 1HD1 ILE 79 HD11 ILE 79 -0.983 5.526 5.526 530 2HD1 ILE 79 HD13 ILE 79 -0.242 5.426 5.426 531 3HD1 ILE 79 HD12 ILE 79 0.322 4.377 4.377 532 H ASN 80 HN ASN 80 -4.940 4.316 4.316 533 HA ASN 80 HA ASN 80 -7.251 3.761 3.761 534 1HB ASN 80 HB2 ASN 80 -7.642 5.506 5.506 535 2HB ASN 80 HB1 ASN 80 -8.737 5.222 5.222 536 1HD2 ASN 80 HD22 ASN 80 -7.445 7.837 7.837 537 2HD2 ASN 80 HD21 ASN 80 -8.629 6.634 6.634 538 H LEU 81 HN LEU 81 -7.676 1.747 1.747 539 HA LEU 81 HA LEU 81 -7.763 1.088 1.088 540 1HB LEU 81 HB2 LEU 81 -5.629 0.215 0.215 541 2HB LEU 81 HB1 LEU 81 -6.398 -0.484 -0.484 542 HG LEU 81 HG LEU 81 -5.820 -1.965 -1.965 543 1HD1 LEU 81 HD13 LEU 81 -7.300 -2.273 -2.273 544 2HD1 LEU 81 HD12 LEU 81 -8.530 -2.544 -2.544 545 3HD1 LEU 81 HD11 LEU 81 -7.075 -3.538 -3.538 546 1HD2 LEU 81 HD21 LEU 81 -7.537 -0.275 -0.275 547 2HD2 LEU 81 HD23 LEU 81 -7.322 -1.950 -1.950 548 3HD2 LEU 81 HD22 LEU 81 -8.671 -1.505 -1.505 549 H THR 82 HN THR 82 -9.852 0.481 0.481 550 HA THR 82 HA THR 82 -11.187 -1.011 -1.011 551 HB THR 82 HB THR 82 -13.284 0.288 0.288 552 HG1 THR 82 HG1 THR 82 -11.467 1.234 1.234 553 1HG2 THR 82 HG23 THR 82 -11.147 0.947 0.947 554 2HG2 THR 82 HG22 THR 82 -12.023 2.374 2.374 555 3HG2 THR 82 HG21 THR 82 -12.893 1.046 1.046 556 H LEU 83 HN LEU 83 -12.388 -2.745 -2.745 557 HA LEU 83 HA LEU 83 -13.250 -3.141 -3.141 558 1HB LEU 83 HB2 LEU 83 -11.041 -4.347 -4.347 559 2HB LEU 83 HB1 LEU 83 -11.919 -5.382 -5.382 560 HG LEU 83 HG LEU 83 -11.653 -6.213 -6.213 561 1HD1 LEU 83 HD11 LEU 83 -13.274 -7.077 -7.077 562 2HD1 LEU 83 HD13 LEU 83 -14.497 -6.050 -6.050 563 3HD1 LEU 83 HD12 LEU 83 -13.750 -7.350 -7.350 564 1HD2 LEU 83 HD22 LEU 83 -12.485 -3.842 -3.842 565 2HD2 LEU 83 HD21 LEU 83 -13.014 -5.278 -5.278 566 3HD2 LEU 83 HD23 LEU 83 -14.089 -4.514 -4.514 567 H ASP 84 HN ASP 84 -15.289 -2.539 -2.539 568 HA ASP 84 HA ASP 84 -17.300 -4.191 -4.191 569 1HB ASP 84 HB2 ASP 84 -15.562 -4.919 -4.919 570 2HB ASP 84 HB1 ASP 84 -17.316 -5.038 -5.038 571 H GLY 85 HN GLY 85 -15.544 -1.782 -1.782 572 1HA GLY 85 HA2 GLY 85 -17.014 0.319 0.319 573 2HA GLY 85 HA1 GLY 85 -18.052 -0.735 -0.735 574 H ASP 86 HN ASP 86 -14.878 -1.741 -1.741 575 HA ASP 86 HA ASP 86 -14.524 0.154 0.154 576 1HB ASP 86 HB2 ASP 86 -14.409 -2.870 -2.870 577 2HB ASP 86 HB1 ASP 86 -13.600 -1.901 -1.901 578 H ASN 87 HN ASN 87 -12.117 -0.189 -0.189 579 HA ASN 87 HA ASN 87 -10.440 -0.356 -0.356 580 1HB ASN 87 HB2 ASN 87 -8.800 0.739 0.739 581 2HB ASN 87 HB1 ASN 87 -9.771 1.677 1.677 582 1HD2 ASN 87 HD22 ASN 87 -11.236 1.222 1.222 583 2HD2 ASN 87 HD21 ASN 87 -10.319 -0.033 -0.033 584 H VAL 88 HN VAL 88 -8.355 -1.439 -1.439 585 HA VAL 88 HA VAL 88 -8.555 -3.920 -3.920 586 HB VAL 88 HB VAL 88 -6.446 -2.577 -2.577 587 1HG1 VAL 88 HG12 VAL 88 -5.227 -3.615 -3.615 588 2HG1 VAL 88 HG11 VAL 88 -5.997 -5.153 -5.153 589 3HG1 VAL 88 HG13 VAL 88 -4.883 -4.412 -4.412 590 1HG2 VAL 88 HG23 VAL 88 -8.313 -3.880 -3.880 591 2HG2 VAL 88 HG22 VAL 88 -6.750 -4.629 -4.629 592 3HG2 VAL 88 HG21 VAL 88 -7.797 -5.285 -5.285 593 H ASN 89 HN ASN 89 -6.667 -4.653 -4.653 594 HA ASN 89 HA ASN 89 -6.725 -2.808 -2.808 595 1HB ASN 89 HB2 ASN 89 -6.802 -5.454 -5.454 596 2HB ASN 89 HB1 ASN 89 -5.050 -5.282 -5.282 597 1HD2 ASN 89 HD22 ASN 89 -7.129 -4.920 -4.920 598 2HD2 ASN 89 HD21 ASN 89 -7.697 -5.686 -5.686 599 H GLY 90 HN GLY 90 -5.028 -2.144 -2.144 600 1HA GLY 90 HA2 GLY 90 -2.677 -1.279 -1.279 601 2HA GLY 90 HA1 GLY 90 -2.336 -2.288 -2.288 602 H PHE 91 HN PHE 91 -5.090 -0.251 -0.251 603 HA PHE 91 HA PHE 91 -3.542 1.534 1.534 604 1HB PHE 91 HB2 PHE 91 -6.097 0.131 0.131 605 2HB PHE 91 HB1 PHE 91 -6.092 1.801 1.801 606 HD1 PHE 91 HD2 PHE 91 -4.582 -1.520 -1.520 607 HD2 PHE 91 HD1 PHE 91 -4.625 2.501 2.501 608 HE1 PHE 91 HE2 PHE 91 -3.225 -2.209 -2.209 609 HE2 PHE 91 HE1 PHE 91 -3.265 1.836 1.836 610 HZ PHE 91 HZ PHE 91 -2.569 -0.540 -0.540 611 HA PRO 92 HA PRO 92 -6.561 4.510 4.510 612 1HB PRO 92 HB2 PRO 92 -7.784 3.714 3.714 613 2HB PRO 92 HB1 PRO 92 -8.536 3.596 3.596 614 1HG PRO 92 HG2 PRO 92 -7.368 1.436 1.436 615 2HG PRO 92 HG1 PRO 92 -8.632 1.336 1.336 616 1HD PRO 92 HD2 PRO 92 -5.943 0.586 0.586 617 2HD PRO 92 HD1 PRO 92 -7.107 0.827 0.827 618 H LYS 93 HN LYS 93 -3.949 2.953 2.953 619 HA LYS 93 HA LYS 93 -3.461 4.425 4.425 620 1HB LYS 93 HB2 LYS 93 -2.926 1.884 1.884 621 2HB LYS 93 HB1 LYS 93 -1.544 2.493 2.493 622 1HG LYS 93 HG2 LYS 93 -1.795 3.931 3.931 623 2HG LYS 93 HG1 LYS 93 -1.734 2.196 2.196 624 1HD LYS 93 HD2 LYS 93 0.259 2.178 2.178 625 2HD LYS 93 HD1 LYS 93 0.295 3.926 3.926 626 1HE LYS 93 HE2 LYS 93 0.158 3.184 3.184 627 2HE LYS 93 HE1 LYS 93 0.925 1.733 1.733 628 1HZ LYS 93 HZ1 LYS 93 1.924 4.436 4.436 629 2HZ LYS 93 HZ3 LYS 93 2.429 3.620 3.620 630 3HZ LYS 93 HZ2 LYS 93 2.734 2.947 2.947 631 H THR 94 HN THR 94 -1.123 5.284 5.284 632 HA THR 94 HA THR 94 -0.565 6.605 6.605 633 HB THR 94 HB THR 94 -0.189 7.794 7.794 634 HG1 THR 94 HG1 THR 94 -2.414 7.405 7.405 635 1HG2 THR 94 HG23 THR 94 1.311 8.582 8.582 636 2HG2 THR 94 HG22 THR 94 -0.127 9.066 9.066 637 3HG2 THR 94 HG21 THR 94 0.254 9.841 9.841 638 H VAL 95 HN VAL 95 1.420 6.301 6.301 639 HA VAL 95 HA VAL 95 3.397 5.125 5.125 640 HB VAL 95 HB VAL 95 3.117 5.049 5.049 641 1HG1 VAL 95 HG12 VAL 95 5.628 5.166 5.166 642 2HG1 VAL 95 HG11 VAL 95 5.456 3.686 3.686 643 3HG1 VAL 95 HG13 VAL 95 5.348 5.248 5.248 644 1HG2 VAL 95 HG22 VAL 95 2.362 3.326 3.326 645 2HG2 VAL 95 HG21 VAL 95 2.878 2.796 2.796 646 3HG2 VAL 95 HG23 VAL 95 4.015 2.767 2.767 647 H THR 96 HN THR 96 5.574 6.106 6.106 648 HA THR 96 HA THR 96 5.430 8.982 8.982 649 HB THR 96 HB THR 96 6.989 7.850 7.850 650 HG1 THR 96 HG1 THR 96 5.243 8.394 8.394 651 1HG2 THR 96 HG21 THR 96 6.863 10.398 10.398 652 2HG2 THR 96 HG23 THR 96 6.074 10.545 10.545 653 3HG2 THR 96 HG22 THR 96 7.735 9.959 9.959 654 H VAL 97 HN VAL 97 7.096 9.968 9.968 655 HA VAL 97 HA VAL 97 9.640 8.483 8.483 656 HB VAL 97 HB VAL 97 7.877 9.907 9.907 657 1HG1 VAL 97 HG12 VAL 97 10.889 9.767 9.767 658 2HG1 VAL 97 HG11 VAL 97 9.909 10.023 10.023 659 3HG1 VAL 97 HG13 VAL 97 9.879 11.209 11.209 660 1HG2 VAL 97 HG23 VAL 97 9.483 7.386 7.386 661 2HG2 VAL 97 HG22 VAL 97 7.821 7.602 7.602 662 3HG2 VAL 97 HG21 VAL 97 9.158 8.076 8.076 663 H LYS 98 HN LYS 98 11.406 9.706 9.706 664 HA LYS 98 HA LYS 98 10.867 12.594 12.594 665 1HB LYS 98 HB2 LYS 98 11.868 10.487 10.487 666 2HB LYS 98 HB1 LYS 98 12.972 11.862 11.862 667 1HG LYS 98 HG2 LYS 98 10.578 13.151 13.151 668 2HG LYS 98 HG1 LYS 98 10.239 11.690 11.690 669 1HD LYS 98 HD2 LYS 98 12.791 13.212 13.212 670 2HD LYS 98 HD1 LYS 98 11.289 13.745 13.745 671 1HE LYS 98 HE2 LYS 98 10.992 11.452 11.452 672 2HE LYS 98 HE1 LYS 98 12.556 11.002 11.002 673 1HZ LYS 98 HZ1 LYS 98 12.121 13.222 13.222 674 2HZ LYS 98 HZ3 LYS 98 12.690 11.681 11.681 675 3HZ LYS 98 HZ2 LYS 98 13.617 12.679 12.679 676 HA PRO 99 HA PRO 99 15.429 12.675 12.675 677 1HB PRO 99 HB2 PRO 99 16.768 10.320 10.320 678 2HB PRO 99 HB1 PRO 99 16.677 11.106 11.106 679 1HG PRO 99 HG2 PRO 99 15.232 8.688 8.688 680 2HG PRO 99 HG1 PRO 99 15.697 9.125 9.125 681 1HD PRO 99 HD2 PRO 99 13.120 9.378 9.378 682 2HD PRO 99 HD1 PRO 99 13.688 10.151 10.151 683 H ALA 100 HN ALA 100 13.971 13.250 13.250 684 HA ALA 100 HA ALA 100 13.959 11.372 11.372 685 1HB ALA 100 HB2 ALA 100 12.372 13.491 13.491 686 2HB ALA 100 HB1 ALA 100 13.451 14.235 14.235 687 3HB ALA 100 HB3 ALA 100 12.504 12.819 12.819 Start of MODEL 14 1 1H ALA 1 HT1 ALA 1 -18.560 -11.895 -11.895 2 2H ALA 1 HT3 ALA 1 -19.130 -10.443 -10.443 3 3H ALA 1 HT2 ALA 1 -19.782 -11.020 -11.020 4 HA ALA 1 HA ALA 1 -17.894 -10.495 -10.495 5 1HB ALA 1 HB2 ALA 1 -19.184 -8.500 -8.500 6 2HB ALA 1 HB1 ALA 1 -18.095 -8.353 -8.353 7 3HB ALA 1 HB3 ALA 1 -17.479 -8.142 -8.142 8 H ASP 2 HN ASP 2 -15.820 -8.721 -8.721 9 HA ASP 2 HA ASP 2 -14.120 -10.778 -10.778 10 1HB ASP 2 HB2 ASP 2 -13.393 -10.363 -10.363 11 2HB ASP 2 HB1 ASP 2 -13.359 -8.627 -8.627 12 HA PRO 3 HA PRO 3 -14.065 -6.764 -6.764 13 1HB PRO 3 HB2 PRO 3 -15.875 -7.394 -7.394 14 2HB PRO 3 HB1 PRO 3 -16.316 -6.494 -6.494 15 1HG PRO 3 HG2 PRO 3 -16.859 -9.354 -9.354 16 2HG PRO 3 HG1 PRO 3 -17.799 -8.245 -8.245 17 1HD PRO 3 HD2 PRO 3 -16.083 -10.247 -10.247 18 2HD PRO 3 HD1 PRO 3 -16.679 -8.849 -8.849 19 H GLU 4 HN GLU 4 -13.578 -10.043 -10.043 20 HA GLU 4 HA GLU 4 -12.122 -9.860 -9.860 21 1HB GLU 4 HB2 GLU 4 -14.347 -11.504 -11.504 22 2HB GLU 4 HB1 GLU 4 -12.938 -12.526 -12.526 23 1HG GLU 4 HG2 GLU 4 -12.587 -11.433 -11.433 24 2HG GLU 4 HG1 GLU 4 -14.025 -10.449 -10.449 25 H LYS 5 HN LYS 5 -11.589 -10.096 -10.096 26 HA LYS 5 HA LYS 5 -9.175 -11.756 -11.756 27 1HB LYS 5 HB2 LYS 5 -11.436 -12.410 -12.410 28 2HB LYS 5 HB1 LYS 5 -9.783 -12.815 -12.815 29 1HG LYS 5 HG2 LYS 5 -10.328 -13.561 -13.561 30 2HG LYS 5 HG1 LYS 5 -11.451 -14.338 -14.338 31 1HD LYS 5 HD2 LYS 5 -8.906 -14.473 -14.473 32 2HD LYS 5 HD1 LYS 5 -8.667 -14.936 -14.936 33 1HE LYS 5 HE2 LYS 5 -10.955 -16.077 -16.077 34 2HE LYS 5 HE1 LYS 5 -9.344 -16.788 -16.788 35 1HZ LYS 5 HZ2 LYS 5 -10.072 -16.272 -16.272 36 2HZ LYS 5 HZ1 LYS 5 -11.234 -17.256 -17.256 37 3HZ LYS 5 HZ3 LYS 5 -9.607 -17.737 -17.737 38 H SER 6 HN SER 6 -9.606 -8.970 -8.970 39 HA SER 6 HA SER 6 -8.482 -8.499 -8.499 40 1HB SER 6 HB2 SER 6 -9.889 -6.557 -6.557 41 2HB SER 6 HB1 SER 6 -9.280 -6.182 -6.182 42 HG SER 6 HG SER 6 -11.458 -7.762 -7.762 43 H TYR 7 HN TYR 7 -6.356 -7.925 -7.925 44 HA TYR 7 HA TYR 7 -5.296 -6.429 -6.429 45 1HB TYR 7 HB2 TYR 7 -3.223 -8.002 -8.002 46 2HB TYR 7 HB1 TYR 7 -4.648 -8.568 -8.568 47 HD1 TYR 7 HD1 TYR 7 -6.433 -9.867 -9.867 48 HD2 TYR 7 HD2 TYR 7 -2.361 -9.272 -9.272 49 HE1 TYR 7 HE1 TYR 7 -6.627 -11.781 -11.781 50 HE2 TYR 7 HE2 TYR 7 -2.556 -11.187 -11.187 51 HH TYR 7 HH TYR 7 -5.191 -13.375 -13.375 52 H ALA 8 HN ALA 8 -3.583 -5.054 -5.054 53 HA ALA 8 HA ALA 8 -2.598 -4.977 -4.977 54 1HB ALA 8 HB3 ALA 8 -3.632 -2.760 -2.760 55 2HB ALA 8 HB2 ALA 8 -2.379 -2.414 -2.414 56 3HB ALA 8 HB1 ALA 8 -3.936 -3.059 -3.059 57 H GLU 9 HN GLU 9 -0.391 -5.103 -5.103 58 HA GLU 9 HA GLU 9 1.168 -3.934 -3.934 59 1HB GLU 9 HB2 GLU 9 2.541 -6.235 -6.235 60 2HB GLU 9 HB1 GLU 9 1.206 -6.021 -6.021 61 1HG GLU 9 HG2 GLU 9 -0.339 -6.968 -6.968 62 2HG GLU 9 HG1 GLU 9 1.074 -7.315 -7.315 63 H GLY 10 HN GLY 10 3.224 -3.304 -3.304 64 1HA GLY 10 HA2 GLY 10 4.373 -4.212 -4.212 65 2HA GLY 10 HA1 GLY 10 3.757 -2.566 -2.566 66 HA PRO 11 HA PRO 11 8.033 -2.470 -2.470 67 1HB PRO 11 HB2 PRO 11 9.338 -1.487 -1.487 68 2HB PRO 11 HB1 PRO 11 9.204 -3.219 -3.219 69 1HG PRO 11 HG2 PRO 11 7.756 -1.604 -1.604 70 2HG PRO 11 HG1 PRO 11 8.147 -3.332 -3.332 71 1HD PRO 11 HD2 PRO 11 5.626 -2.208 -2.208 72 2HD PRO 11 HD1 PRO 11 6.125 -3.882 -3.882 73 H GLY 12 HN GLY 12 5.566 -0.629 -0.629 74 1HA GLY 12 HA2 GLY 12 6.945 1.979 1.979 75 2HA GLY 12 HA1 GLY 12 5.466 1.766 1.766 76 H LEU 13 HN LEU 13 5.693 3.542 3.542 77 HA LEU 13 HA LEU 13 4.136 4.123 4.123 78 1HB LEU 13 HB2 LEU 13 2.214 2.985 2.985 79 2HB LEU 13 HB1 LEU 13 2.830 2.132 2.132 80 HG LEU 13 HG LEU 13 3.844 0.788 0.788 81 1HD1 LEU 13 HD11 LEU 13 1.032 1.760 1.760 82 2HD1 LEU 13 HD13 LEU 13 1.411 0.128 0.128 83 3HD1 LEU 13 HD12 LEU 13 2.236 1.513 1.513 84 1HD2 LEU 13 HD23 LEU 13 2.458 0.240 0.240 85 2HD2 LEU 13 HD22 LEU 13 3.320 -0.894 -0.894 86 3HD2 LEU 13 HD21 LEU 13 1.606 -0.576 -0.576 87 H ASP 14 HN ASP 14 6.596 1.960 1.960 88 HA ASP 14 HA ASP 14 6.454 1.055 1.055 89 1HB ASP 14 HB2 ASP 14 8.961 1.626 1.626 90 2HB ASP 14 HB1 ASP 14 8.741 0.440 0.440 91 H GLY 15 HN GLY 15 7.101 4.022 4.022 92 1HA GLY 15 HA2 GLY 15 7.432 6.152 6.152 93 2HA GLY 15 HA1 GLY 15 7.571 5.345 5.345 94 H GLY 16 HN GLY 16 9.406 6.088 6.088 95 1HA GLY 16 HA2 GLY 16 11.728 6.248 6.248 96 2HA GLY 16 HA1 GLY 16 11.912 5.114 5.114 97 H GLU 17 HN GLU 17 11.611 6.124 6.124 98 HA GLU 17 HA GLU 17 12.836 8.852 8.852 99 1HB GLU 17 HB2 GLU 17 13.300 6.492 6.492 100 2HB GLU 17 HB1 GLU 17 13.783 8.108 8.108 101 1HG GLU 17 HG2 GLU 17 15.291 8.305 8.305 102 2HG GLU 17 HG1 GLU 17 14.602 6.897 6.897 103 H CYS 18 HN CYS 18 12.112 10.364 10.364 104 HA CYS 18 HA CYS 18 9.480 9.878 9.878 105 1HB CYS 18 HB2 CYS 18 11.103 12.328 12.328 106 2HB CYS 18 HB1 CYS 18 10.014 12.383 12.383 107 HG CYS 18 HG CYS 18 7.996 12.116 12.116 108 H PHE 19 HN PHE 19 12.810 10.009 10.009 109 HA PHE 19 HA PHE 19 12.126 10.503 10.503 110 1HB PHE 19 HB2 PHE 19 14.748 10.159 10.159 111 2HB PHE 19 HB1 PHE 19 14.657 10.157 10.157 112 HD1 PHE 19 HD1 PHE 19 12.565 11.989 11.989 113 HD2 PHE 19 HD2 PHE 19 15.516 12.288 12.288 114 HE1 PHE 19 HE1 PHE 19 12.254 14.437 14.437 115 HE2 PHE 19 HE2 PHE 19 15.209 14.749 14.749 116 HZ PHE 19 HZ PHE 19 13.550 15.805 15.805 117 H GLN 20 HN GLN 20 11.530 8.043 8.043 118 HA GLN 20 HA GLN 20 12.583 5.974 5.974 119 1HB GLN 20 HB2 GLN 20 12.780 5.414 5.414 120 2HB GLN 20 HB1 GLN 20 11.066 5.757 5.757 121 1HG GLN 20 HG2 GLN 20 10.535 3.947 3.947 122 2HG GLN 20 HG1 GLN 20 12.252 3.544 3.544 123 1HE2 GLN 20 HE22 GLN 20 12.189 2.466 2.466 124 2HE2 GLN 20 HE21 GLN 20 13.127 3.475 3.475 125 HA PRO 21 HA PRO 21 8.745 6.507 6.507 126 1HB PRO 21 HB2 PRO 21 8.760 4.139 4.139 127 2HB PRO 21 HB1 PRO 21 9.682 5.579 5.579 128 1HG PRO 21 HG2 PRO 21 10.643 3.061 3.061 129 2HG PRO 21 HG1 PRO 21 11.499 4.148 4.148 130 1HD PRO 21 HD2 PRO 21 11.880 4.105 4.105 131 2HD PRO 21 HD1 PRO 21 12.264 5.491 5.491 132 H SER 22 HN SER 22 6.627 6.014 6.014 133 HA SER 22 HA SER 22 6.343 3.723 3.723 134 1HB SER 22 HB2 SER 22 4.302 5.830 5.830 135 2HB SER 22 HB1 SER 22 4.449 4.797 4.797 136 HG SER 22 HG SER 22 5.938 7.062 7.062 137 H LYS 23 HN LYS 23 5.680 1.922 1.922 138 HA LYS 23 HA LYS 23 3.276 2.173 2.173 139 1HB LYS 23 HB2 LYS 23 5.760 0.690 0.690 140 2HB LYS 23 HB1 LYS 23 4.236 0.762 0.762 141 1HG LYS 23 HG2 LYS 23 5.105 2.540 2.540 142 2HG LYS 23 HG1 LYS 23 4.825 3.428 3.428 143 1HD LYS 23 HD2 LYS 23 7.106 3.805 3.805 144 2HD LYS 23 HD1 LYS 23 7.124 2.551 2.551 145 1HE LYS 23 HE2 LYS 23 8.077 1.062 1.062 146 2HE LYS 23 HE1 LYS 23 6.902 1.411 1.411 147 1HZ LYS 23 HZ1 LYS 23 8.301 3.600 3.600 148 2HZ LYS 23 HZ3 LYS 23 9.517 2.631 2.631 149 3HZ LYS 23 HZ2 LYS 23 8.796 2.182 2.182 150 H PHE 24 HN PHE 24 1.927 0.508 0.508 151 HA PHE 24 HA PHE 24 3.029 -1.982 -1.982 152 1HB PHE 24 HB2 PHE 24 0.560 -1.446 -1.446 153 2HB PHE 24 HB1 PHE 24 2.160 -1.700 -1.700 154 HD1 PHE 24 HD1 PHE 24 3.797 0.346 0.346 155 HD2 PHE 24 HD2 PHE 24 -0.483 0.598 0.598 156 HE1 PHE 24 HE1 PHE 24 3.964 2.749 2.749 157 HE2 PHE 24 HE2 PHE 24 -0.320 3.010 3.010 158 HZ PHE 24 HZ PHE 24 1.909 4.076 4.076 159 H LYS 25 HN LYS 25 1.506 -3.795 -3.795 160 HA LYS 25 HA LYS 25 -0.441 -3.353 -3.353 161 1HB LYS 25 HB2 LYS 25 1.146 -5.821 -5.821 162 2HB LYS 25 HB1 LYS 25 -0.100 -5.800 -5.800 163 1HG LYS 25 HG2 LYS 25 1.767 -3.625 -3.625 164 2HG LYS 25 HG1 LYS 25 2.622 -5.167 -5.167 165 1HD LYS 25 HD2 LYS 25 1.084 -6.108 -6.108 166 2HD LYS 25 HD1 LYS 25 0.244 -4.559 -4.559 167 1HE LYS 25 HE2 LYS 25 1.714 -4.043 -4.043 168 2HE LYS 25 HE1 LYS 25 2.894 -3.841 -3.841 169 1HZ LYS 25 HZ3 LYS 25 2.348 -6.445 -6.445 170 2HZ LYS 25 HZ2 LYS 25 3.568 -5.384 -5.384 171 3HZ LYS 25 HZ1 LYS 25 3.631 -6.055 -6.055 172 H ILE 26 HN ILE 26 -2.531 -4.064 -4.064 173 HA ILE 26 HA ILE 26 -3.133 -5.074 -5.074 174 HB ILE 26 HB ILE 26 -5.039 -3.774 -3.774 175 1HG1 ILE 26 HG12 ILE 26 -3.351 -2.551 -2.551 176 2HG1 ILE 26 HG11 ILE 26 -3.263 -2.184 -2.184 177 1HG2 ILE 26 HG23 ILE 26 -6.008 -5.152 -5.152 178 2HG2 ILE 26 HG22 ILE 26 -5.150 -4.153 -4.153 179 3HG2 ILE 26 HG21 ILE 26 -6.408 -3.443 -3.443 180 1HD1 ILE 26 HD11 ILE 26 -5.880 -1.855 -1.855 181 2HD1 ILE 26 HD13 ILE 26 -4.641 -0.614 -0.614 182 3HD1 ILE 26 HD12 ILE 26 -5.270 -1.009 -1.009 183 H HIS 27 HN HIS 27 -4.635 -6.766 -6.766 184 HA HIS 27 HA HIS 27 -5.468 -8.191 -8.191 185 1HB HIS 27 HB2 HIS 27 -4.191 -9.720 -9.720 186 2HB HIS 27 HB1 HIS 27 -4.473 -10.244 -10.244 187 HD1 HIS 27 HD1 HIS 27 -2.573 -7.422 -7.422 188 HD2 HIS 27 HD2 HIS 27 -2.174 -10.021 -10.021 189 HE1 HIS 27 HE1 HIS 27 -0.356 -6.889 -6.889 190 H ALA 28 HN ALA 28 -7.613 -8.377 -8.377 191 HA ALA 28 HA ALA 28 -8.741 -8.711 -8.711 192 1HB ALA 28 HB3 ALA 28 -9.651 -7.498 -7.498 193 2HB ALA 28 HB2 ALA 28 -10.885 -8.455 -8.455 194 3HB ALA 28 HB1 ALA 28 -10.107 -7.113 -7.113 195 H VAL 29 HN VAL 29 -10.134 -10.487 -10.487 196 HA VAL 29 HA VAL 29 -10.387 -12.572 -12.572 197 HB VAL 29 HB VAL 29 -9.118 -12.821 -12.821 198 1HG1 VAL 29 HG13 VAL 29 -11.198 -14.188 -14.188 199 2HG1 VAL 29 HG12 VAL 29 -10.750 -15.060 -15.060 200 3HG1 VAL 29 HG11 VAL 29 -9.746 -15.188 -15.188 201 1HG2 VAL 29 HG23 VAL 29 -8.811 -13.932 -13.932 202 2HG2 VAL 29 HG22 VAL 29 -7.623 -13.092 -13.092 203 3HG2 VAL 29 HG21 VAL 29 -8.059 -14.762 -14.762 204 H ASP 30 HN ASP 30 -12.488 -12.918 -12.918 205 HA ASP 30 HA ASP 30 -14.386 -12.255 -12.255 206 1HB ASP 30 HB2 ASP 30 -15.924 -11.776 -11.776 207 2HB ASP 30 HB1 ASP 30 -14.450 -11.472 -11.472 208 HA PRO 31 HA PRO 31 -15.589 -16.442 -16.442 209 1HB PRO 31 HB2 PRO 31 -18.308 -16.529 -16.529 210 2HB PRO 31 HB1 PRO 31 -17.539 -15.798 -15.798 211 1HG PRO 31 HG2 PRO 31 -18.836 -14.464 -14.464 212 2HG PRO 31 HG1 PRO 31 -18.580 -13.857 -13.857 213 1HD PRO 31 HD2 PRO 31 -17.055 -13.194 -13.194 214 2HD PRO 31 HD1 PRO 31 -16.655 -12.780 -12.780 215 H ASP 32 HN ASP 32 -15.145 -15.553 -15.553 216 HA ASP 32 HA ASP 32 -16.394 -18.046 -18.046 217 1HB ASP 32 HB2 ASP 32 -16.202 -15.276 -15.276 218 2HB ASP 32 HB1 ASP 32 -16.165 -16.655 -16.655 219 H GLY 33 HN GLY 33 -13.597 -17.085 -17.085 220 1HA GLY 33 HA2 GLY 33 -11.383 -17.766 -17.766 221 2HA GLY 33 HA1 GLY 33 -12.020 -18.752 -18.752 222 H VAL 34 HN VAL 34 -12.703 -15.378 -15.378 223 HA VAL 34 HA VAL 34 -10.862 -14.595 -14.595 224 HB VAL 34 HB VAL 34 -13.667 -13.618 -13.618 225 1HG1 VAL 34 HG11 VAL 34 -11.281 -14.088 -14.088 226 2HG1 VAL 34 HG13 VAL 34 -12.797 -14.518 -14.518 227 3HG1 VAL 34 HG12 VAL 34 -12.556 -12.881 -12.881 228 1HG2 VAL 34 HG23 VAL 34 -12.854 -16.489 -16.489 229 2HG2 VAL 34 HG22 VAL 34 -14.249 -15.893 -15.893 230 3HG2 VAL 34 HG21 VAL 34 -14.197 -15.734 -15.734 231 H HIS 35 HN HIS 35 -10.776 -12.171 -12.171 232 HA HIS 35 HA HIS 35 -10.971 -10.975 -10.975 233 1HB HIS 35 HB2 HIS 35 -10.321 -9.476 -9.476 234 2HB HIS 35 HB1 HIS 35 -9.776 -9.133 -9.133 235 HD1 HIS 35 HD1 HIS 35 -7.525 -10.064 -10.064 236 HD2 HIS 35 HD2 HIS 35 -9.159 -12.031 -12.031 237 HE1 HIS 35 HE1 HIS 35 -5.764 -11.693 -11.693 238 H ARG 36 HN ARG 36 -13.422 -11.681 -11.681 239 HA ARG 36 HA ARG 36 -15.612 -10.918 -10.918 240 1HB ARG 36 HB2 ARG 36 -14.214 -8.780 -8.780 241 2HB ARG 36 HB1 ARG 36 -14.899 -8.090 -8.090 242 1HG ARG 36 HG2 ARG 36 -17.126 -9.123 -9.123 243 2HG ARG 36 HG1 ARG 36 -16.360 -9.350 -9.350 244 1HD ARG 36 HD2 ARG 36 -17.277 -7.248 -7.248 245 2HD ARG 36 HD1 ARG 36 -15.707 -6.790 -6.790 246 HE ARG 36 HE ARG 36 -16.809 -6.033 -6.033 247 1HH1 ARG 36 HH21 ARG 36 -18.274 -7.852 -7.852 248 2HH1 ARG 36 HH22 ARG 36 -19.931 -7.672 -7.672 249 1HH2 ARG 36 HH11 ARG 36 -19.192 -5.882 -5.882 250 2HH2 ARG 36 HH12 ARG 36 -20.450 -6.555 -6.555 251 H THR 37 HN THR 37 -15.069 -12.059 -12.059 252 HA THR 37 HA THR 37 -15.279 -12.052 -12.052 253 HB THR 37 HB THR 37 -17.170 -10.486 -10.486 254 HG1 THR 37 HG1 THR 37 -18.374 -9.777 -9.777 255 1HG2 THR 37 HG22 THR 37 -17.192 -12.934 -12.934 256 2HG2 THR 37 HG21 THR 37 -18.253 -12.017 -12.017 257 3HG2 THR 37 HG23 THR 37 -18.627 -12.139 -12.139 258 H ASP 38 HN ASP 38 -13.161 -11.208 -11.208 259 HA ASP 38 HA ASP 38 -12.138 -8.676 -8.676 260 1HB ASP 38 HB2 ASP 38 -11.519 -10.934 -10.934 261 2HB ASP 38 HB1 ASP 38 -11.797 -9.701 -9.701 262 H GLY 39 HN GLY 39 -12.137 -6.800 -6.800 263 1HA GLY 39 HA2 GLY 39 -13.106 -5.360 -5.360 264 2HA GLY 39 HA1 GLY 39 -14.310 -6.602 -6.602 265 H GLY 40 HN GLY 40 -15.156 -6.982 -6.982 266 1HA GLY 40 HA2 GLY 40 -16.423 -4.318 -4.318 267 2HA GLY 40 HA1 GLY 40 -17.337 -5.821 -5.821 268 H ASP 41 HN ASP 41 -14.227 -4.581 -4.581 269 HA ASP 41 HA ASP 41 -14.993 -5.858 -5.858 270 1HB ASP 41 HB2 ASP 41 -12.279 -4.730 -4.730 271 2HB ASP 41 HB1 ASP 41 -12.672 -5.937 -5.937 272 H GLY 42 HN GLY 42 -15.789 -4.458 -4.458 273 1HA GLY 42 HA2 GLY 42 -15.695 -1.590 -1.590 274 2HA GLY 42 HA1 GLY 42 -16.247 -2.420 -2.420 275 H PHE 43 HN PHE 43 -13.166 -2.015 -2.015 276 HA PHE 43 HA PHE 43 -11.764 -1.892 -1.892 277 1HB PHE 43 HB2 PHE 43 -11.167 -3.071 -3.071 278 2HB PHE 43 HB1 PHE 43 -10.041 -1.728 -1.728 279 HD1 PHE 43 HD1 PHE 43 -9.865 -1.695 -1.695 280 HD2 PHE 43 HD2 PHE 43 -9.720 -4.905 -4.905 281 HE1 PHE 43 HE1 PHE 43 -8.501 -3.045 -3.045 282 HE2 PHE 43 HE2 PHE 43 -8.361 -6.252 -6.252 283 HZ PHE 43 HZ PHE 43 -7.752 -5.321 -5.321 284 H VAL 44 HN VAL 44 -11.561 0.113 0.113 285 HA VAL 44 HA VAL 44 -10.762 2.278 2.278 286 HB VAL 44 HB VAL 44 -12.820 3.145 3.145 287 1HG1 VAL 44 HG13 VAL 44 -12.579 1.212 1.212 288 2HG1 VAL 44 HG12 VAL 44 -13.315 2.720 2.720 289 3HG1 VAL 44 HG11 VAL 44 -14.021 1.811 1.811 290 1HG2 VAL 44 HG21 VAL 44 -10.770 4.442 4.442 291 2HG2 VAL 44 HG23 VAL 44 -12.431 4.938 4.938 292 3HG2 VAL 44 HG22 VAL 44 -11.555 3.953 3.953 293 H VAL 45 HN VAL 45 -8.648 2.656 2.656 294 HA VAL 45 HA VAL 45 -7.787 2.672 2.672 295 HB VAL 45 HB VAL 45 -6.195 1.727 1.727 296 1HG1 VAL 45 HG12 VAL 45 -5.480 2.280 2.280 297 2HG1 VAL 45 HG11 VAL 45 -4.602 1.058 1.058 298 3HG1 VAL 45 HG13 VAL 45 -4.607 2.737 2.737 299 1HG2 VAL 45 HG23 VAL 45 -7.963 0.408 0.408 300 2HG2 VAL 45 HG22 VAL 45 -7.095 -0.282 -0.282 301 3HG2 VAL 45 HG21 VAL 45 -6.318 -0.193 -0.193 302 H THR 46 HN THR 46 -6.305 4.289 4.289 303 HA THR 46 HA THR 46 -5.334 6.130 6.130 304 HB THR 46 HB THR 46 -6.833 7.721 7.721 305 HG1 THR 46 HG1 THR 46 -8.384 6.224 6.224 306 1HG2 THR 46 HG21 THR 46 -5.860 8.307 8.307 307 2HG2 THR 46 HG23 THR 46 -7.240 7.448 7.448 308 3HG2 THR 46 HG22 THR 46 -7.499 8.872 8.872 309 H ILE 47 HN ILE 47 -3.577 7.188 7.188 310 HA ILE 47 HA ILE 47 -2.932 7.084 7.084 311 HB ILE 47 HB ILE 47 -1.190 6.693 6.693 312 1HG1 ILE 47 HG12 ILE 47 -1.869 5.225 5.225 313 2HG1 ILE 47 HG11 ILE 47 -1.533 4.595 4.595 314 1HG2 ILE 47 HG22 ILE 47 -0.287 7.683 7.683 315 2HG2 ILE 47 HG21 ILE 47 0.792 7.116 7.116 316 3HG2 ILE 47 HG23 ILE 47 -0.169 8.565 8.565 317 1HD1 ILE 47 HD13 ILE 47 0.894 5.454 5.454 318 2HD1 ILE 47 HD12 ILE 47 0.417 5.450 5.450 319 3HD1 ILE 47 HD11 ILE 47 0.386 3.951 3.951 320 H GLU 48 HN GLU 48 -1.684 8.940 8.940 321 HA GLU 48 HA GLU 48 -1.188 11.138 11.138 322 1HB GLU 48 HB2 GLU 48 -2.953 12.613 12.613 323 2HB GLU 48 HB1 GLU 48 -3.388 11.816 11.816 324 1HG GLU 48 HG2 GLU 48 -4.583 10.140 10.140 325 2HG GLU 48 HG1 GLU 48 -3.637 10.264 10.264 326 H GLY 49 HN GLY 49 -0.034 12.768 12.768 327 1HA GLY 49 HA2 GLY 49 0.293 12.821 12.821 328 2HA GLY 49 HA1 GLY 49 1.733 12.396 12.396 329 HA PRO 50 HA PRO 50 1.438 17.016 17.016 330 1HB PRO 50 HB2 PRO 50 3.912 17.396 17.396 331 2HB PRO 50 HB1 PRO 50 2.421 17.196 17.196 332 1HG PRO 50 HG2 PRO 50 4.638 15.249 15.249 333 2HG PRO 50 HG1 PRO 50 3.503 15.372 15.372 334 1HD PRO 50 HD2 PRO 50 3.345 13.510 13.510 335 2HD PRO 50 HD1 PRO 50 2.054 13.875 13.875 336 H ALA 51 HN ALA 51 1.712 16.198 16.198 337 HA ALA 51 HA ALA 51 4.192 17.392 17.392 338 1HB ALA 51 HB1 ALA 51 4.242 14.678 14.678 339 2HB ALA 51 HB3 ALA 51 3.757 14.746 14.746 340 3HB ALA 51 HB2 ALA 51 5.259 15.512 15.512 341 HA PRO 52 HA PRO 52 1.700 18.211 18.211 342 1HB PRO 52 HB2 PRO 52 3.270 17.536 17.536 343 2HB PRO 52 HB1 PRO 52 3.538 18.969 18.969 344 1HG PRO 52 HG2 PRO 52 5.063 16.406 16.406 345 2HG PRO 52 HG1 PRO 52 5.609 18.024 18.024 346 1HD PRO 52 HD2 PRO 52 4.935 15.935 15.935 347 2HD PRO 52 HD1 PRO 52 5.141 17.644 17.644 348 H VAL 53 HN VAL 53 3.340 15.113 15.113 349 HA VAL 53 HA VAL 53 0.850 14.157 14.157 350 HB VAL 53 HB VAL 53 3.541 12.800 12.800 351 1HG1 VAL 53 HG11 VAL 53 1.035 11.721 11.721 352 2HG1 VAL 53 HG13 VAL 53 1.889 11.903 11.903 353 3HG1 VAL 53 HG12 VAL 53 2.609 10.958 10.958 354 1HG2 VAL 53 HG22 VAL 53 2.899 14.971 14.971 355 2HG2 VAL 53 HG21 VAL 53 4.234 13.853 13.853 356 3HG2 VAL 53 HG23 VAL 53 2.686 13.598 13.598 357 H ASP 54 HN ASP 54 -0.455 14.030 14.030 358 HA ASP 54 HA ASP 54 0.540 12.049 12.049 359 1HB ASP 54 HB2 ASP 54 -1.653 14.117 14.117 360 2HB ASP 54 HB1 ASP 54 -1.452 12.890 12.890 361 HA PRO 55 HA PRO 55 -3.609 10.003 10.003 362 1HB PRO 55 HB2 PRO 55 -5.236 11.163 11.163 363 2HB PRO 55 HB1 PRO 55 -5.310 11.555 11.555 364 1HG PRO 55 HG2 PRO 55 -4.192 13.167 13.167 365 2HG PRO 55 HG1 PRO 55 -4.842 13.709 13.709 366 1HD PRO 55 HD2 PRO 55 -2.094 13.480 13.480 367 2HD PRO 55 HD1 PRO 55 -2.773 13.743 13.743 368 H VAL 56 HN VAL 56 -2.844 8.227 8.227 369 HA VAL 56 HA VAL 56 -2.803 8.515 8.515 370 HB VAL 56 HB VAL 56 -0.513 7.321 7.321 371 1HG1 VAL 56 HG13 VAL 56 -1.214 7.807 7.807 372 2HG1 VAL 56 HG12 VAL 56 0.482 7.944 7.944 373 3HG1 VAL 56 HG11 VAL 56 -0.386 6.433 6.433 374 1HG2 VAL 56 HG23 VAL 56 -0.908 10.118 10.118 375 2HG2 VAL 56 HG22 VAL 56 -0.428 9.655 9.655 376 3HG2 VAL 56 HG21 VAL 56 0.696 9.446 9.446 377 H MET 57 HN MET 57 -4.415 6.914 6.914 378 HA MET 57 HA MET 57 -3.522 4.199 4.199 379 1HB MET 57 HB2 MET 57 -5.553 3.554 3.554 380 2HB MET 57 HB1 MET 57 -5.141 5.106 5.106 381 1HG MET 57 HG2 MET 57 -6.989 4.818 4.818 382 2HG MET 57 HG1 MET 57 -7.562 4.877 4.877 383 1HE MET 57 HE1 MET 57 -8.221 6.394 6.394 384 2HE MET 57 HE3 MET 57 -8.965 7.475 7.475 385 3HE MET 57 HE2 MET 57 -7.857 8.116 8.116 386 H VAL 58 HN VAL 58 -3.885 2.692 2.692 387 HA VAL 58 HA VAL 58 -5.740 3.375 3.375 388 HB VAL 58 HB VAL 58 -3.386 1.807 1.807 389 1HG1 VAL 58 HG12 VAL 58 -5.045 4.089 4.089 390 2HG1 VAL 58 HG11 VAL 58 -3.455 3.812 3.812 391 3HG1 VAL 58 HG13 VAL 58 -4.679 2.544 2.544 392 1HG2 VAL 58 HG21 VAL 58 -3.073 4.671 4.671 393 2HG2 VAL 58 HG23 VAL 58 -2.195 3.255 3.255 394 3HG2 VAL 58 HG22 VAL 58 -1.912 3.860 3.860 395 H ASP 59 HN ASP 59 -6.539 1.467 1.467 396 HA ASP 59 HA ASP 59 -6.433 -1.002 -1.002 397 1HB ASP 59 HB2 ASP 59 -8.674 -0.188 -0.188 398 2HB ASP 59 HB1 ASP 59 -8.620 0.164 0.164 399 H ASN 60 HN ASN 60 -5.706 -2.863 -2.863 400 HA ASN 60 HA ASN 60 -4.816 -2.674 -2.674 401 1HB ASN 60 HB2 ASN 60 -3.446 -3.677 -3.677 402 2HB ASN 60 HB1 ASN 60 -4.505 -5.080 -5.080 403 1HD2 ASN 60 HD22 ASN 60 -1.413 -5.184 -5.184 404 2HD2 ASN 60 HD21 ASN 60 -1.527 -4.647 -4.647 405 H GLY 61 HN GLY 61 -7.572 -3.828 -3.828 406 1HA GLY 61 HA2 GLY 61 -9.471 -4.857 -4.857 407 2HA GLY 61 HA1 GLY 61 -8.651 -4.870 -4.870 408 H ASP 62 HN ASP 62 -6.627 -6.238 -6.238 409 HA ASP 62 HA ASP 62 -7.484 -8.966 -8.966 410 1HB ASP 62 HB2 ASP 62 -5.192 -9.663 -9.663 411 2HB ASP 62 HB1 ASP 62 -5.175 -8.170 -8.170 412 H GLY 63 HN GLY 63 -8.598 -7.465 -7.465 413 1HA GLY 63 HA2 GLY 63 -9.337 -8.140 -8.140 414 2HA GLY 63 HA1 GLY 63 -8.364 -9.598 -9.598 415 H THR 64 HN THR 64 -6.335 -7.127 -7.127 416 HA THR 64 HA THR 64 -5.508 -6.727 -6.727 417 HB THR 64 HB THR 64 -3.236 -7.099 -7.099 418 HG1 THR 64 HG1 THR 64 -3.054 -6.000 -6.000 419 1HG2 THR 64 HG21 THR 64 -4.901 -9.075 -9.075 420 2HG2 THR 64 HG23 THR 64 -3.221 -9.329 -9.329 421 3HG2 THR 64 HG22 THR 64 -4.474 -9.197 -9.197 422 H TYR 65 HN TYR 65 -4.689 -4.630 -4.630 423 HA TYR 65 HA TYR 65 -4.860 -2.729 -2.729 424 1HB TYR 65 HB2 TYR 65 -5.707 -2.282 -2.282 425 2HB TYR 65 HB1 TYR 65 -5.759 -1.063 -1.063 426 HD1 TYR 65 HD2 TYR 65 -6.813 -4.621 -4.621 427 HD2 TYR 65 HD1 TYR 65 -7.736 -0.841 -0.841 428 HE1 TYR 65 HE2 TYR 65 -8.923 -5.551 -5.551 429 HE2 TYR 65 HE1 TYR 65 -9.848 -1.772 -1.772 430 HH TYR 65 HH TYR 65 -10.528 -4.690 -4.690 431 H ASP 66 HN ASP 66 -3.442 -0.881 -0.881 432 HA ASP 66 HA ASP 66 -1.130 -1.280 -1.280 433 1HB ASP 66 HB2 ASP 66 -0.761 -1.905 -1.905 434 2HB ASP 66 HB1 ASP 66 -0.887 -0.177 -0.177 435 H VAL 67 HN VAL 67 -0.763 0.487 0.487 436 HA VAL 67 HA VAL 67 -1.796 3.090 3.090 437 HB VAL 67 HB VAL 67 -2.508 3.653 3.653 438 1HG1 VAL 67 HG12 VAL 67 -3.639 1.588 1.588 439 2HG1 VAL 67 HG11 VAL 67 -2.929 0.686 0.686 440 3HG1 VAL 67 HG13 VAL 67 -4.077 1.985 1.985 441 1HG2 VAL 67 HG22 VAL 67 -0.398 2.957 2.957 442 2HG2 VAL 67 HG21 VAL 67 -1.843 2.495 2.495 443 3HG2 VAL 67 HG23 VAL 67 -0.976 1.291 1.291 444 H GLU 68 HN GLU 68 -0.321 4.925 4.925 445 HA GLU 68 HA GLU 68 2.254 4.335 4.335 446 1HB GLU 68 HB2 GLU 68 2.277 5.299 5.299 447 2HB GLU 68 HB1 GLU 68 3.635 4.710 4.710 448 1HG GLU 68 HG2 GLU 68 3.090 2.888 2.888 449 2HG GLU 68 HG1 GLU 68 2.316 2.475 2.475 450 H PHE 69 HN PHE 69 2.965 6.086 6.086 451 HA PHE 69 HA PHE 69 2.421 8.775 8.775 452 1HB PHE 69 HB2 PHE 69 1.883 9.786 9.786 453 2HB PHE 69 HB1 PHE 69 0.888 8.337 8.337 454 HD1 PHE 69 HD2 PHE 69 2.161 6.151 6.151 455 HD2 PHE 69 HD1 PHE 69 3.060 10.221 10.221 456 HE1 PHE 69 HE2 PHE 69 3.210 5.398 5.398 457 HE2 PHE 69 HE1 PHE 69 4.109 9.465 9.465 458 HZ PHE 69 HZ PHE 69 4.169 7.031 7.031 459 H GLU 70 HN GLU 70 4.126 10.383 10.383 460 HA GLU 70 HA GLU 70 6.542 9.213 9.213 461 1HB GLU 70 HB2 GLU 70 6.958 8.626 8.626 462 2HB GLU 70 HB1 GLU 70 6.364 10.176 10.176 463 1HG GLU 70 HG2 GLU 70 8.285 11.329 11.329 464 2HG GLU 70 HG1 GLU 70 8.722 10.083 10.083 465 HA PRO 71 HA PRO 71 6.221 13.531 13.531 466 1HB PRO 71 HB2 PRO 71 7.606 13.125 13.125 467 2HB PRO 71 HB1 PRO 71 5.879 12.780 12.780 468 1HG PRO 71 HG2 PRO 71 8.168 10.877 10.877 469 2HG PRO 71 HG1 PRO 71 6.470 10.618 10.618 470 1HD PRO 71 HD2 PRO 71 7.738 9.758 9.758 471 2HD PRO 71 HD1 PRO 71 5.989 9.779 9.779 472 H LYS 72 HN LYS 72 8.374 14.603 14.603 473 HA LYS 72 HA LYS 72 10.803 14.172 14.172 474 1HB LYS 72 HB2 LYS 72 11.011 16.743 16.743 475 2HB LYS 72 HB1 LYS 72 9.879 15.975 15.975 476 1HG LYS 72 HG2 LYS 72 8.434 16.405 16.405 477 2HG LYS 72 HG1 LYS 72 9.341 17.890 17.890 478 1HD LYS 72 HD2 LYS 72 8.344 17.070 17.070 479 2HD LYS 72 HD1 LYS 72 7.006 16.914 16.914 480 1HE LYS 72 HE2 LYS 72 6.858 19.161 19.161 481 2HE LYS 72 HE1 LYS 72 8.608 19.375 19.375 482 1HZ LYS 72 HZ1 LYS 72 8.142 18.696 18.696 483 2HZ LYS 72 HZ3 LYS 72 6.706 19.526 19.526 484 3HZ LYS 72 HZ2 LYS 72 8.205 20.302 20.302 485 H GLU 73 HN GLU 73 9.686 16.410 16.410 486 HA GLU 73 HA GLU 73 12.303 16.110 16.110 487 1HB GLU 73 HB2 GLU 73 11.519 17.983 17.983 488 2HB GLU 73 HB1 GLU 73 11.300 18.356 18.356 489 1HG GLU 73 HG2 GLU 73 9.021 18.311 18.311 490 2HG GLU 73 HG1 GLU 73 9.017 16.968 16.968 491 H ALA 74 HN ALA 74 10.576 16.820 16.820 492 HA ALA 74 HA ALA 74 10.362 14.009 14.009 493 1HB ALA 74 HB3 ALA 74 11.333 16.155 16.155 494 2HB ALA 74 HB2 ALA 74 9.656 16.229 16.229 495 3HB ALA 74 HB1 ALA 74 10.616 14.781 14.781 496 H GLY 75 HN GLY 75 8.459 12.963 12.963 497 1HA GLY 75 HA2 GLY 75 5.974 14.470 14.470 498 2HA GLY 75 HA1 GLY 75 6.136 13.719 13.719 499 H ASP 76 HN ASP 76 4.133 13.057 13.057 500 HA ASP 76 HA ASP 76 4.915 10.260 10.260 501 1HB ASP 76 HB2 ASP 76 3.286 10.320 10.320 502 2HB ASP 76 HB1 ASP 76 4.211 11.815 11.815 503 H TYR 77 HN TYR 77 3.272 8.665 8.665 504 HA TYR 77 HA TYR 77 1.535 9.579 9.579 505 1HB TYR 77 HB2 TYR 77 2.373 6.733 6.733 506 2HB TYR 77 HB1 TYR 77 1.809 7.508 7.508 507 HD1 TYR 77 HD2 TYR 77 3.441 10.029 10.029 508 HD2 TYR 77 HD1 TYR 77 4.463 5.903 5.903 509 HE1 TYR 77 HE2 TYR 77 5.755 10.511 10.511 510 HE2 TYR 77 HE1 TYR 77 6.776 6.372 6.372 511 HH TYR 77 HH TYR 77 7.686 9.009 9.009 512 H VAL 78 HN VAL 78 -0.545 9.150 9.150 513 HA VAL 78 HA VAL 78 -1.586 7.433 7.433 514 HB VAL 78 HB VAL 78 -2.467 9.567 9.567 515 1HG1 VAL 78 HG11 VAL 78 -2.650 9.810 9.810 516 2HG1 VAL 78 HG13 VAL 78 -3.558 10.892 10.892 517 3HG1 VAL 78 HG12 VAL 78 -1.796 10.856 10.856 518 1HG2 VAL 78 HG22 VAL 78 -4.455 8.176 8.176 519 2HG2 VAL 78 HG21 VAL 78 -4.221 7.860 7.860 520 3HG2 VAL 78 HG23 VAL 78 -4.860 9.415 9.415 521 H ILE 79 HN ILE 79 -2.598 5.655 5.655 522 HA ILE 79 HA ILE 79 -3.035 5.515 5.515 523 HB ILE 79 HB ILE 79 -3.214 3.015 3.015 524 1HG1 ILE 79 HG12 ILE 79 -1.447 4.107 4.107 525 2HG1 ILE 79 HG11 ILE 79 -0.725 2.882 2.882 526 1HG2 ILE 79 HG23 ILE 79 -3.130 3.378 3.378 527 2HG2 ILE 79 HG22 ILE 79 -1.413 3.713 3.713 528 3HG2 ILE 79 HG21 ILE 79 -2.070 2.137 2.137 529 1HD1 ILE 79 HD12 ILE 79 -0.982 5.554 5.554 530 2HD1 ILE 79 HD11 ILE 79 0.132 5.477 5.477 531 3HD1 ILE 79 HD13 ILE 79 0.373 4.425 4.425 532 H ASN 80 HN ASN 80 -4.772 4.369 4.369 533 HA ASN 80 HA ASN 80 -7.131 3.938 3.938 534 1HB ASN 80 HB2 ASN 80 -7.411 5.686 5.686 535 2HB ASN 80 HB1 ASN 80 -8.519 5.488 5.488 536 1HD2 ASN 80 HD22 ASN 80 -6.907 7.883 7.883 537 2HD2 ASN 80 HD21 ASN 80 -8.049 6.629 6.629 538 H LEU 81 HN LEU 81 -7.638 1.931 1.931 539 HA LEU 81 HA LEU 81 -7.927 1.360 1.360 540 1HB LEU 81 HB2 LEU 81 -5.838 0.313 0.313 541 2HB LEU 81 HB1 LEU 81 -6.228 -0.162 -0.162 542 HG LEU 81 HG LEU 81 -7.920 -1.249 -1.249 543 1HD1 LEU 81 HD11 LEU 81 -5.186 -1.471 -1.471 544 2HD1 LEU 81 HD13 LEU 81 -5.607 -2.908 -2.908 545 3HD1 LEU 81 HD12 LEU 81 -6.339 -2.636 -2.636 546 1HD2 LEU 81 HD22 LEU 81 -7.068 -1.947 -1.947 547 2HD2 LEU 81 HD21 LEU 81 -8.678 -1.980 -1.980 548 3HD2 LEU 81 HD23 LEU 81 -7.523 -3.256 -3.256 549 H THR 82 HN THR 82 -9.880 0.443 0.443 550 HA THR 82 HA THR 82 -11.144 -1.051 -1.051 551 HB THR 82 HB THR 82 -13.254 0.288 0.288 552 HG1 THR 82 HG1 THR 82 -11.483 1.368 1.368 553 1HG2 THR 82 HG22 THR 82 -11.033 0.855 0.855 554 2HG2 THR 82 HG21 THR 82 -11.530 2.392 2.392 555 3HG2 THR 82 HG23 THR 82 -12.688 1.427 1.427 556 H LEU 83 HN LEU 83 -12.391 -2.749 -2.749 557 HA LEU 83 HA LEU 83 -13.127 -2.908 -2.908 558 1HB LEU 83 HB2 LEU 83 -11.019 -4.247 -4.247 559 2HB LEU 83 HB1 LEU 83 -12.023 -5.286 -5.286 560 HG LEU 83 HG LEU 83 -11.611 -6.006 -6.006 561 1HD1 LEU 83 HD13 LEU 83 -13.425 -6.784 -6.784 562 2HD1 LEU 83 HD12 LEU 83 -14.528 -5.813 -5.813 563 3HD1 LEU 83 HD11 LEU 83 -13.654 -7.159 -7.159 564 1HD2 LEU 83 HD23 LEU 83 -12.166 -3.712 -3.712 565 2HD2 LEU 83 HD22 LEU 83 -13.098 -5.015 -5.015 566 3HD2 LEU 83 HD21 LEU 83 -13.840 -3.985 -3.985 567 H ASP 84 HN ASP 84 -15.187 -2.234 -2.234 568 HA ASP 84 HA ASP 84 -17.310 -3.747 -3.747 569 1HB ASP 84 HB2 ASP 84 -15.775 -4.792 -4.792 570 2HB ASP 84 HB1 ASP 84 -17.537 -4.798 -4.798 571 H GLY 85 HN GLY 85 -15.497 -1.623 -1.623 572 1HA GLY 85 HA2 GLY 85 -16.923 0.530 0.530 573 2HA GLY 85 HA1 GLY 85 -17.987 -0.557 -0.557 574 H ASP 86 HN ASP 86 -15.004 -1.842 -1.842 575 HA ASP 86 HA ASP 86 -14.509 -0.033 -0.033 576 1HB ASP 86 HB2 ASP 86 -14.749 -3.018 -3.018 577 2HB ASP 86 HB1 ASP 86 -13.562 -2.345 -2.345 578 H ASN 87 HN ASN 87 -12.085 -0.425 -0.425 579 HA ASN 87 HA ASN 87 -10.478 -0.734 -0.734 580 1HB ASN 87 HB2 ASN 87 -8.936 0.551 0.551 581 2HB ASN 87 HB1 ASN 87 -9.499 1.232 1.232 582 1HD2 ASN 87 HD22 ASN 87 -11.246 2.379 2.379 583 2HD2 ASN 87 HD21 ASN 87 -9.911 1.331 1.331 584 H VAL 88 HN VAL 88 -8.307 -1.623 -1.623 585 HA VAL 88 HA VAL 88 -8.457 -4.060 -4.060 586 HB VAL 88 HB VAL 88 -6.243 -2.648 -2.648 587 1HG1 VAL 88 HG12 VAL 88 -5.993 -5.243 -5.243 588 2HG1 VAL 88 HG11 VAL 88 -4.780 -4.587 -4.587 589 3HG1 VAL 88 HG13 VAL 88 -5.173 -3.733 -3.733 590 1HG2 VAL 88 HG23 VAL 88 -8.136 -3.994 -3.994 591 2HG2 VAL 88 HG22 VAL 88 -6.496 -4.476 -4.476 592 3HG2 VAL 88 HG21 VAL 88 -7.409 -5.412 -5.412 593 H ASN 89 HN ASN 89 -6.669 -4.646 -4.646 594 HA ASN 89 HA ASN 89 -6.870 -2.646 -2.646 595 1HB ASN 89 HB2 ASN 89 -7.104 -5.181 -5.181 596 2HB ASN 89 HB1 ASN 89 -5.346 -5.245 -5.245 597 1HD2 ASN 89 HD22 ASN 89 -5.103 -4.597 -4.597 598 2HD2 ASN 89 HD21 ASN 89 -4.634 -5.558 -5.558 599 H GLY 90 HN GLY 90 -5.051 -2.169 -2.169 600 1HA GLY 90 HA2 GLY 90 -2.718 -1.316 -1.316 601 2HA GLY 90 HA1 GLY 90 -2.394 -2.299 -2.299 602 H PHE 91 HN PHE 91 -5.120 -0.229 -0.229 603 HA PHE 91 HA PHE 91 -3.577 1.567 1.567 604 1HB PHE 91 HB2 PHE 91 -6.185 0.247 0.247 605 2HB PHE 91 HB1 PHE 91 -6.118 1.917 1.917 606 HD1 PHE 91 HD2 PHE 91 -4.293 -1.322 -1.322 607 HD2 PHE 91 HD1 PHE 91 -5.068 2.423 2.423 608 HE1 PHE 91 HE2 PHE 91 -2.964 -2.039 -2.039 609 HE2 PHE 91 HE1 PHE 91 -3.739 1.730 1.730 610 HZ PHE 91 HZ PHE 91 -2.698 -0.532 -0.532 611 HA PRO 92 HA PRO 92 -6.426 4.564 4.564 612 1HB PRO 92 HB2 PRO 92 -7.438 3.771 3.771 613 2HB PRO 92 HB1 PRO 92 -8.332 3.643 3.643 614 1HG PRO 92 HG2 PRO 92 -7.017 1.495 1.495 615 2HG PRO 92 HG1 PRO 92 -8.385 1.384 1.384 616 1HD PRO 92 HD2 PRO 92 -5.721 0.644 0.644 617 2HD PRO 92 HD1 PRO 92 -7.007 0.854 0.854 618 H LYS 93 HN LYS 93 -3.766 2.969 2.969 619 HA LYS 93 HA LYS 93 -3.033 4.374 4.374 620 1HB LYS 93 HB2 LYS 93 -2.578 1.866 1.866 621 2HB LYS 93 HB1 LYS 93 -1.361 2.386 2.386 622 1HG LYS 93 HG2 LYS 93 -0.016 3.370 3.370 623 2HG LYS 93 HG1 LYS 93 -1.364 3.585 3.585 624 1HD LYS 93 HD2 LYS 93 -0.831 0.775 0.775 625 2HD LYS 93 HD1 LYS 93 0.492 1.564 1.564 626 1HE LYS 93 HE2 LYS 93 -1.877 2.394 2.394 627 2HE LYS 93 HE1 LYS 93 -2.052 0.659 0.659 628 1HZ LYS 93 HZ1 LYS 93 0.576 1.399 1.399 629 2HZ LYS 93 HZ3 LYS 93 -0.623 1.826 1.826 630 3HZ LYS 93 HZ2 LYS 93 -0.475 0.212 0.212 631 H THR 94 HN THR 94 -0.715 5.234 5.234 632 HA THR 94 HA THR 94 -0.304 6.563 6.563 633 HB THR 94 HB THR 94 0.079 7.799 7.799 634 HG1 THR 94 HG1 THR 94 -2.129 7.386 7.386 635 1HG2 THR 94 HG21 THR 94 0.207 8.935 8.935 636 2HG2 THR 94 HG23 THR 94 0.326 9.880 9.880 637 3HG2 THR 94 HG22 THR 94 1.572 8.696 8.696 638 H VAL 95 HN VAL 95 1.676 6.391 6.391 639 HA VAL 95 HA VAL 95 3.761 5.270 5.270 640 HB VAL 95 HB VAL 95 3.357 5.215 5.215 641 1HG1 VAL 95 HG11 VAL 95 5.987 4.941 4.941 642 2HG1 VAL 95 HG13 VAL 95 5.684 4.209 4.209 643 3HG1 VAL 95 HG12 VAL 95 5.622 5.959 5.959 644 1HG2 VAL 95 HG23 VAL 95 3.327 3.397 3.397 645 2HG2 VAL 95 HG22 VAL 95 2.820 3.112 3.112 646 3HG2 VAL 95 HG21 VAL 95 4.504 2.867 2.867 647 H THR 96 HN THR 96 5.940 6.306 6.306 648 HA THR 96 HA THR 96 5.674 9.199 9.199 649 HB THR 96 HB THR 96 7.020 7.906 7.906 650 HG1 THR 96 HG1 THR 96 5.471 9.641 9.641 651 1HG2 THR 96 HG23 THR 96 7.140 10.716 10.716 652 2HG2 THR 96 HG22 THR 96 7.388 10.380 10.380 653 3HG2 THR 96 HG21 THR 96 8.472 9.680 9.680 654 H VAL 97 HN VAL 97 7.410 10.316 10.316 655 HA VAL 97 HA VAL 97 9.939 8.859 8.859 656 HB VAL 97 HB VAL 97 8.142 10.265 10.265 657 1HG1 VAL 97 HG12 VAL 97 11.163 10.109 10.109 658 2HG1 VAL 97 HG11 VAL 97 10.146 10.407 10.407 659 3HG1 VAL 97 HG13 VAL 97 10.170 11.567 11.567 660 1HG2 VAL 97 HG23 VAL 97 9.753 7.745 7.745 661 2HG2 VAL 97 HG22 VAL 97 8.090 7.956 7.956 662 3HG2 VAL 97 HG21 VAL 97 9.424 8.414 8.414 663 H LYS 98 HN LYS 98 11.777 10.226 10.226 664 HA LYS 98 HA LYS 98 11.319 12.747 12.747 665 1HB LYS 98 HB2 LYS 98 14.102 11.941 11.941 666 2HB LYS 98 HB1 LYS 98 13.299 12.295 12.295 667 1HG LYS 98 HG2 LYS 98 12.119 9.979 9.979 668 2HG LYS 98 HG1 LYS 98 13.493 9.685 9.685 669 1HD LYS 98 HD2 LYS 98 14.998 9.613 9.613 670 2HD LYS 98 HD1 LYS 98 14.112 10.801 10.801 671 1HE LYS 98 HE2 LYS 98 13.158 7.963 7.963 672 2HE LYS 98 HE1 LYS 98 14.050 8.479 8.479 673 1HZ LYS 98 HZ1 LYS 98 12.279 10.201 10.201 674 2HZ LYS 98 HZ3 LYS 98 11.388 9.411 9.411 675 3HZ LYS 98 HZ2 LYS 98 11.771 8.598 8.598 676 HA PRO 99 HA PRO 99 12.639 15.530 15.530 677 1HB PRO 99 HB2 PRO 99 15.000 16.707 16.707 678 2HB PRO 99 HB1 PRO 99 13.398 17.121 17.121 679 1HG PRO 99 HG2 PRO 99 15.551 15.468 15.468 680 2HG PRO 99 HG1 PRO 99 14.317 16.478 16.478 681 1HD PRO 99 HD2 PRO 99 14.208 13.707 13.707 682 2HD PRO 99 HD1 PRO 99 12.796 14.746 14.746 683 H ALA 100 HN ALA 100 12.948 13.842 13.842 684 HA ALA 100 HA ALA 100 15.036 12.250 12.250 685 1HB ALA 100 HB2 ALA 100 12.816 12.878 12.878 686 2HB ALA 100 HB1 ALA 100 13.854 13.974 13.974 687 3HB ALA 100 HB3 ALA 100 14.176 12.240 12.240 Start of MODEL 15 1 1H ALA 1 HT2 ALA 1 -17.881 -8.046 -8.046 2 2H ALA 1 HT1 ALA 1 -19.160 -8.453 -8.453 3 3H ALA 1 HT3 ALA 1 -18.634 -9.563 -9.563 4 HA ALA 1 HA ALA 1 -17.594 -10.421 -10.421 5 1HB ALA 1 HB2 ALA 1 -17.826 -7.615 -7.615 6 2HB ALA 1 HB1 ALA 1 -16.428 -8.502 -8.502 7 3HB ALA 1 HB3 ALA 1 -18.056 -9.117 -9.117 8 H ASP 2 HN ASP 2 -15.707 -11.252 -11.252 9 HA ASP 2 HA ASP 2 -13.625 -11.396 -11.396 10 1HB ASP 2 HB2 ASP 2 -12.964 -10.587 -10.587 11 2HB ASP 2 HB1 ASP 2 -13.284 -8.928 -8.928 12 HA PRO 3 HA PRO 3 -14.515 -7.832 -7.832 13 1HB PRO 3 HB2 PRO 3 -16.044 -9.157 -9.157 14 2HB PRO 3 HB1 PRO 3 -16.747 -8.284 -8.284 15 1HG PRO 3 HG2 PRO 3 -16.468 -11.225 -11.225 16 2HG PRO 3 HG1 PRO 3 -17.652 -10.335 -10.335 17 1HD PRO 3 HD2 PRO 3 -15.359 -11.687 -11.687 18 2HD PRO 3 HD1 PRO 3 -16.384 -10.549 -10.549 19 H GLU 4 HN GLU 4 -13.078 -10.791 -10.791 20 HA GLU 4 HA GLU 4 -11.602 -10.474 -10.474 21 1HB GLU 4 HB2 GLU 4 -13.552 -12.474 -12.474 22 2HB GLU 4 HB1 GLU 4 -11.972 -13.223 -13.223 23 1HG GLU 4 HG2 GLU 4 -12.121 -12.954 -12.954 24 2HG GLU 4 HG1 GLU 4 -12.404 -11.225 -11.225 25 H LYS 5 HN LYS 5 -11.174 -10.465 -10.465 26 HA LYS 5 HA LYS 5 -8.573 -11.854 -11.854 27 1HB LYS 5 HB2 LYS 5 -10.581 -13.299 -13.299 28 2HB LYS 5 HB1 LYS 5 -10.149 -12.382 -12.382 29 1HG LYS 5 HG2 LYS 5 -8.830 -14.399 -14.399 30 2HG LYS 5 HG1 LYS 5 -7.747 -13.068 -13.068 31 1HD LYS 5 HD2 LYS 5 -7.415 -13.818 -13.818 32 2HD LYS 5 HD1 LYS 5 -9.079 -14.376 -14.376 33 1HE LYS 5 HE2 LYS 5 -6.851 -15.770 -15.770 34 2HE LYS 5 HE1 LYS 5 -7.617 -16.317 -16.317 35 1HZ LYS 5 HZ1 LYS 5 -9.757 -16.087 -16.087 36 2HZ LYS 5 HZ3 LYS 5 -8.644 -16.338 -16.338 37 3HZ LYS 5 HZ2 LYS 5 -8.811 -17.498 -17.498 38 H SER 6 HN SER 6 -9.312 -9.122 -9.122 39 HA SER 6 HA SER 6 -8.364 -8.310 -8.310 40 1HB SER 6 HB2 SER 6 -9.675 -6.435 -6.435 41 2HB SER 6 HB1 SER 6 -9.567 -6.302 -6.302 42 HG SER 6 HG SER 6 -11.298 -7.477 -7.477 43 H TYR 7 HN TYR 7 -6.229 -7.850 -7.850 44 HA TYR 7 HA TYR 7 -5.287 -6.113 -6.113 45 1HB TYR 7 HB2 TYR 7 -3.150 -7.699 -7.699 46 2HB TYR 7 HB1 TYR 7 -4.523 -8.064 -8.064 47 HD1 TYR 7 HD2 TYR 7 -3.216 -8.692 -8.692 48 HD2 TYR 7 HD1 TYR 7 -5.642 -10.114 -10.114 49 HE1 TYR 7 HE2 TYR 7 -3.563 -10.835 -10.835 50 HE2 TYR 7 HE1 TYR 7 -5.988 -12.257 -12.257 51 HH TYR 7 HH TYR 7 -5.581 -13.420 -13.420 52 H ALA 8 HN ALA 8 -3.545 -4.788 -4.788 53 HA ALA 8 HA ALA 8 -2.584 -4.938 -4.938 54 1HB ALA 8 HB2 ALA 8 -4.135 -2.922 -2.922 55 2HB ALA 8 HB1 ALA 8 -2.529 -2.319 -2.319 56 3HB ALA 8 HB3 ALA 8 -2.927 -2.702 -2.702 57 H GLU 9 HN GLU 9 -0.395 -5.219 -5.219 58 HA GLU 9 HA GLU 9 1.247 -4.059 -4.059 59 1HB GLU 9 HB2 GLU 9 1.530 -6.929 -6.929 60 2HB GLU 9 HB1 GLU 9 2.478 -6.139 -6.139 61 1HG GLU 9 HG2 GLU 9 -0.071 -5.671 -5.671 62 2HG GLU 9 HG1 GLU 9 -0.251 -7.254 -7.254 63 H GLY 10 HN GLY 10 3.266 -3.418 -3.418 64 1HA GLY 10 HA2 GLY 10 4.463 -4.271 -4.271 65 2HA GLY 10 HA1 GLY 10 3.828 -2.631 -2.631 66 HA PRO 11 HA PRO 11 8.022 -2.526 -2.526 67 1HB PRO 11 HB2 PRO 11 9.430 -1.518 -1.518 68 2HB PRO 11 HB1 PRO 11 9.292 -3.253 -3.253 69 1HG PRO 11 HG2 PRO 11 7.941 -1.638 -1.638 70 2HG PRO 11 HG1 PRO 11 8.341 -3.364 -3.364 71 1HD PRO 11 HD2 PRO 11 5.784 -2.254 -2.254 72 2HD PRO 11 HD1 PRO 11 6.275 -3.928 -3.928 73 H GLY 12 HN GLY 12 5.603 -0.665 -0.665 74 1HA GLY 12 HA2 GLY 12 6.978 1.913 1.913 75 2HA GLY 12 HA1 GLY 12 5.613 1.752 1.752 76 H LEU 13 HN LEU 13 5.984 3.294 3.294 77 HA LEU 13 HA LEU 13 4.152 4.104 4.104 78 1HB LEU 13 HB2 LEU 13 2.218 3.033 3.033 79 2HB LEU 13 HB1 LEU 13 2.847 1.948 1.948 80 HG LEU 13 HG LEU 13 3.257 1.479 1.479 81 1HD1 LEU 13 HD12 LEU 13 0.807 1.653 1.653 82 2HD1 LEU 13 HD11 LEU 13 1.180 -0.031 -0.031 83 3HD1 LEU 13 HD13 LEU 13 1.213 0.534 0.534 84 1HD2 LEU 13 HD22 LEU 13 4.655 0.181 0.181 85 2HD2 LEU 13 HD21 LEU 13 3.626 -0.831 -0.831 86 3HD2 LEU 13 HD23 LEU 13 3.156 -0.481 -0.481 87 H ASP 14 HN ASP 14 6.298 1.521 1.521 88 HA ASP 14 HA ASP 14 6.116 1.124 1.124 89 1HB ASP 14 HB2 ASP 14 8.770 1.528 1.528 90 2HB ASP 14 HB1 ASP 14 8.348 0.386 0.386 91 H GLY 15 HN GLY 15 6.995 3.890 3.890 92 1HA GLY 15 HA2 GLY 15 7.307 6.118 6.118 93 2HA GLY 15 HA1 GLY 15 7.168 5.550 5.550 94 H GLY 16 HN GLY 16 8.921 6.119 6.119 95 1HA GLY 16 HA2 GLY 16 11.186 6.307 6.307 96 2HA GLY 16 HA1 GLY 16 11.513 5.076 5.076 97 H GLU 17 HN GLU 17 11.010 6.203 6.203 98 HA GLU 17 HA GLU 17 12.530 8.772 8.772 99 1HB GLU 17 HB2 GLU 17 12.983 6.337 6.337 100 2HB GLU 17 HB1 GLU 17 13.590 7.909 7.909 101 1HG GLU 17 HG2 GLU 17 14.991 8.076 8.076 102 2HG GLU 17 HG1 GLU 17 14.126 6.796 6.796 103 H CYS 18 HN CYS 18 11.963 10.275 10.275 104 HA CYS 18 HA CYS 18 9.402 9.917 9.917 105 1HB CYS 18 HB2 CYS 18 11.095 12.271 12.271 106 2HB CYS 18 HB1 CYS 18 10.136 12.388 12.388 107 HG CYS 18 HG CYS 18 8.449 13.126 13.126 108 H PHE 19 HN PHE 19 12.788 9.895 9.895 109 HA PHE 19 HA PHE 19 12.323 10.417 10.417 110 1HB PHE 19 HB2 PHE 19 14.800 9.940 9.940 111 2HB PHE 19 HB1 PHE 19 14.849 9.969 9.969 112 HD1 PHE 19 HD2 PHE 19 13.565 11.923 11.923 113 HD2 PHE 19 HD1 PHE 19 14.897 11.979 11.979 114 HE1 PHE 19 HE2 PHE 19 13.333 14.388 14.388 115 HE2 PHE 19 HE1 PHE 19 14.651 14.446 14.446 116 HZ PHE 19 HZ PHE 19 13.844 15.634 15.634 117 H GLN 20 HN GLN 20 11.499 7.966 7.966 118 HA GLN 20 HA GLN 20 12.614 5.865 5.865 119 1HB GLN 20 HB2 GLN 20 11.915 5.898 5.898 120 2HB GLN 20 HB1 GLN 20 10.698 4.906 4.906 121 1HG GLN 20 HG2 GLN 20 12.327 3.416 3.416 122 2HG GLN 20 HG1 GLN 20 13.648 4.536 4.536 123 1HE2 GLN 20 HE22 GLN 20 13.695 1.991 1.991 124 2HE2 GLN 20 HE21 GLN 20 13.941 1.986 1.986 125 HA PRO 21 HA PRO 21 8.902 6.417 6.417 126 1HB PRO 21 HB2 PRO 21 8.964 4.037 4.037 127 2HB PRO 21 HB1 PRO 21 9.950 5.452 5.452 128 1HG PRO 21 HG2 PRO 21 10.768 2.927 2.927 129 2HG PRO 21 HG1 PRO 21 11.719 3.990 3.990 130 1HD PRO 21 HD2 PRO 21 11.897 3.954 3.954 131 2HD PRO 21 HD1 PRO 21 12.411 5.311 5.311 132 H SER 22 HN SER 22 6.748 5.960 5.960 133 HA SER 22 HA SER 22 6.368 3.654 3.654 134 1HB SER 22 HB2 SER 22 4.325 5.726 5.726 135 2HB SER 22 HB1 SER 22 4.527 4.751 4.751 136 HG SER 22 HG SER 22 5.536 6.467 6.467 137 H LYS 23 HN LYS 23 5.751 1.870 1.870 138 HA LYS 23 HA LYS 23 3.371 2.146 2.146 139 1HB LYS 23 HB2 LYS 23 5.840 0.662 0.662 140 2HB LYS 23 HB1 LYS 23 4.336 0.824 0.824 141 1HG LYS 23 HG2 LYS 23 5.279 2.616 2.616 142 2HG LYS 23 HG1 LYS 23 5.017 3.452 3.452 143 1HD LYS 23 HD2 LYS 23 7.353 3.693 3.693 144 2HD LYS 23 HD1 LYS 23 7.254 2.654 2.654 145 1HE LYS 23 HE2 LYS 23 8.567 1.265 1.265 146 2HE LYS 23 HE1 LYS 23 7.026 0.798 0.798 147 1HZ LYS 23 HZ1 LYS 23 7.960 3.142 3.142 148 2HZ LYS 23 HZ3 LYS 23 9.205 1.991 1.991 149 3HZ LYS 23 HZ2 LYS 23 7.691 1.613 1.613 150 H PHE 24 HN PHE 24 2.022 0.539 0.539 151 HA PHE 24 HA PHE 24 3.092 -2.026 -2.026 152 1HB PHE 24 HB2 PHE 24 0.708 -1.542 -1.542 153 2HB PHE 24 HB1 PHE 24 2.345 -1.721 -1.721 154 HD1 PHE 24 HD1 PHE 24 3.869 0.424 0.424 155 HD2 PHE 24 HD2 PHE 24 -0.408 0.435 0.435 156 HE1 PHE 24 HE1 PHE 24 3.927 2.827 2.827 157 HE2 PHE 24 HE2 PHE 24 -0.353 2.844 2.844 158 HZ PHE 24 HZ PHE 24 1.827 4.034 4.034 159 H LYS 25 HN LYS 25 1.485 -3.790 -3.790 160 HA LYS 25 HA LYS 25 -0.532 -3.153 -3.153 161 1HB LYS 25 HB2 LYS 25 0.598 -5.904 -5.904 162 2HB LYS 25 HB1 LYS 25 -0.172 -5.290 -5.290 163 1HG LYS 25 HG2 LYS 25 1.755 -3.706 -3.706 164 2HG LYS 25 HG1 LYS 25 2.542 -4.500 -4.500 165 1HD LYS 25 HD2 LYS 25 2.182 -6.695 -6.695 166 2HD LYS 25 HD1 LYS 25 1.870 -5.657 -5.657 167 1HE LYS 25 HE2 LYS 25 4.364 -5.437 -5.437 168 2HE LYS 25 HE1 LYS 25 4.277 -6.412 -6.412 169 1HZ LYS 25 HZ1 LYS 25 3.287 -3.714 -3.714 170 2HZ LYS 25 HZ3 LYS 25 4.944 -3.816 -3.816 171 3HZ LYS 25 HZ2 LYS 25 4.309 -4.611 -4.611 172 H ILE 26 HN ILE 26 -2.634 -3.907 -3.907 173 HA ILE 26 HA ILE 26 -3.178 -4.862 -4.862 174 HB ILE 26 HB ILE 26 -5.248 -3.844 -3.844 175 1HG1 ILE 26 HG12 ILE 26 -3.576 -2.104 -2.104 176 2HG1 ILE 26 HG11 ILE 26 -3.277 -2.254 -2.254 177 1HG2 ILE 26 HG22 ILE 26 -5.791 -4.902 -4.902 178 2HG2 ILE 26 HG21 ILE 26 -5.006 -3.505 -3.505 179 3HG2 ILE 26 HG23 ILE 26 -6.441 -3.283 -3.283 180 1HD1 ILE 26 HD12 ILE 26 -6.067 -1.643 -1.643 181 2HD1 ILE 26 HD11 ILE 26 -4.877 -0.354 -0.354 182 3HD1 ILE 26 HD13 ILE 26 -5.159 -1.069 -1.069 183 H HIS 27 HN HIS 27 -4.573 -6.634 -6.634 184 HA HIS 27 HA HIS 27 -5.322 -8.162 -8.162 185 1HB HIS 27 HB2 HIS 27 -4.037 -9.508 -9.508 186 2HB HIS 27 HB1 HIS 27 -4.347 -10.191 -10.191 187 HD1 HIS 27 HD1 HIS 27 -2.474 -7.140 -7.140 188 HD2 HIS 27 HD2 HIS 27 -2.039 -10.180 -10.180 189 HE1 HIS 27 HE1 HIS 27 -0.253 -6.754 -6.754 190 H ALA 28 HN ALA 28 -7.471 -8.386 -8.386 191 HA ALA 28 HA ALA 28 -8.651 -8.724 -8.724 192 1HB ALA 28 HB2 ALA 28 -9.631 -7.603 -7.603 193 2HB ALA 28 HB1 ALA 28 -10.813 -8.316 -8.316 194 3HB ALA 28 HB3 ALA 28 -9.813 -6.964 -6.964 195 H VAL 29 HN VAL 29 -9.967 -10.531 -10.531 196 HA VAL 29 HA VAL 29 -10.302 -12.554 -12.554 197 HB VAL 29 HB VAL 29 -9.014 -12.907 -12.907 198 1HG1 VAL 29 HG12 VAL 29 -10.524 -15.052 -15.052 199 2HG1 VAL 29 HG11 VAL 29 -9.437 -15.361 -15.361 200 3HG1 VAL 29 HG13 VAL 29 -10.923 -14.447 -14.447 201 1HG2 VAL 29 HG22 VAL 29 -8.458 -13.461 -13.461 202 2HG2 VAL 29 HG21 VAL 29 -7.347 -13.016 -13.016 203 3HG2 VAL 29 HG23 VAL 29 -7.898 -14.685 -14.685 204 H ASP 30 HN ASP 30 -12.388 -12.976 -12.976 205 HA ASP 30 HA ASP 30 -14.242 -12.524 -12.524 206 1HB ASP 30 HB2 ASP 30 -14.303 -11.875 -11.875 207 2HB ASP 30 HB1 ASP 30 -15.625 -12.979 -12.979 208 HA PRO 31 HA PRO 31 -15.310 -16.772 -16.772 209 1HB PRO 31 HB2 PRO 31 -18.044 -16.888 -16.888 210 2HB PRO 31 HB1 PRO 31 -17.201 -16.301 -16.301 211 1HG PRO 31 HG2 PRO 31 -18.654 -14.748 -14.748 212 2HG PRO 31 HG1 PRO 31 -18.332 -14.330 -14.330 213 1HD PRO 31 HD2 PRO 31 -16.943 -13.343 -13.343 214 2HD PRO 31 HD1 PRO 31 -16.451 -13.151 -13.151 215 H ASP 32 HN ASP 32 -14.733 -15.933 -15.933 216 HA ASP 32 HA ASP 32 -16.239 -18.203 -18.203 217 1HB ASP 32 HB2 ASP 32 -16.186 -15.383 -15.383 218 2HB ASP 32 HB1 ASP 32 -15.754 -16.491 -16.491 219 H GLY 33 HN GLY 33 -13.338 -17.436 -17.436 220 1HA GLY 33 HA2 GLY 33 -11.197 -18.247 -18.247 221 2HA GLY 33 HA1 GLY 33 -11.935 -19.082 -19.082 222 H VAL 34 HN VAL 34 -12.349 -15.691 -15.691 223 HA VAL 34 HA VAL 34 -10.495 -14.867 -14.867 224 HB VAL 34 HB VAL 34 -13.255 -13.779 -13.779 225 1HG1 VAL 34 HG12 VAL 34 -10.932 -14.502 -14.502 226 2HG1 VAL 34 HG11 VAL 34 -12.533 -14.326 -14.326 227 3HG1 VAL 34 HG13 VAL 34 -11.794 -12.969 -12.969 228 1HG2 VAL 34 HG21 VAL 34 -12.529 -16.608 -16.608 229 2HG2 VAL 34 HG23 VAL 34 -13.783 -16.131 -16.131 230 3HG2 VAL 34 HG22 VAL 34 -13.957 -15.742 -15.742 231 H HIS 35 HN HIS 35 -10.872 -12.300 -12.300 232 HA HIS 35 HA HIS 35 -10.792 -11.314 -11.314 233 1HB HIS 35 HB2 HIS 35 -10.134 -9.857 -9.857 234 2HB HIS 35 HB1 HIS 35 -9.774 -9.307 -9.307 235 HD1 HIS 35 HD1 HIS 35 -7.267 -9.517 -9.517 236 HD2 HIS 35 HD2 HIS 35 -9.031 -12.936 -12.936 237 HE1 HIS 35 HE1 HIS 35 -5.423 -11.239 -11.239 238 H ARG 36 HN ARG 36 -13.269 -12.012 -12.012 239 HA ARG 36 HA ARG 36 -15.445 -11.294 -11.294 240 1HB ARG 36 HB2 ARG 36 -15.747 -9.378 -9.378 241 2HB ARG 36 HB1 ARG 36 -13.994 -9.291 -9.291 242 1HG ARG 36 HG2 ARG 36 -14.089 -7.944 -7.944 243 2HG ARG 36 HG1 ARG 36 -15.844 -7.918 -7.918 244 1HD ARG 36 HD2 ARG 36 -14.176 -7.097 -7.097 245 2HD ARG 36 HD1 ARG 36 -14.366 -5.959 -5.959 246 HE ARG 36 HE ARG 36 -16.267 -6.149 -6.149 247 1HH1 ARG 36 HH11 ARG 36 -17.412 -8.497 -8.497 248 2HH1 ARG 36 HH12 ARG 36 -18.575 -7.720 -7.720 249 1HH2 ARG 36 HH21 ARG 36 -17.259 -4.547 -4.547 250 2HH2 ARG 36 HH22 ARG 36 -18.487 -5.490 -5.490 251 H THR 37 HN THR 37 -15.368 -12.191 -12.191 252 HA THR 37 HA THR 37 -15.635 -12.014 -12.014 253 HB THR 37 HB THR 37 -17.615 -10.821 -10.821 254 HG1 THR 37 HG1 THR 37 -17.651 -9.344 -9.344 255 1HG2 THR 37 HG21 THR 37 -17.477 -12.406 -12.406 256 2HG2 THR 37 HG23 THR 37 -18.489 -11.032 -11.032 257 3HG2 THR 37 HG22 THR 37 -18.922 -12.034 -12.034 258 H ASP 38 HN ASP 38 -13.419 -11.196 -11.196 259 HA ASP 38 HA ASP 38 -12.478 -8.603 -8.603 260 1HB ASP 38 HB2 ASP 38 -11.819 -10.939 -10.939 261 2HB ASP 38 HB1 ASP 38 -11.832 -9.585 -9.585 262 H GLY 39 HN GLY 39 -12.291 -6.973 -6.973 263 1HA GLY 39 HA2 GLY 39 -13.269 -5.879 -5.879 264 2HA GLY 39 HA1 GLY 39 -14.693 -6.905 -6.905 265 H GLY 40 HN GLY 40 -15.244 -6.498 -6.498 266 1HA GLY 40 HA2 GLY 40 -15.561 -3.549 -3.549 267 2HA GLY 40 HA1 GLY 40 -17.005 -4.560 -4.560 268 H ASP 41 HN ASP 41 -13.769 -4.362 -4.362 269 HA ASP 41 HA ASP 41 -14.944 -5.590 -5.590 270 1HB ASP 41 HB2 ASP 41 -12.117 -4.551 -4.551 271 2HB ASP 41 HB1 ASP 41 -12.727 -5.847 -5.847 272 H GLY 42 HN GLY 42 -15.433 -4.404 -4.404 273 1HA GLY 42 HA2 GLY 42 -15.483 -1.491 -1.491 274 2HA GLY 42 HA1 GLY 42 -16.041 -2.419 -2.419 275 H PHE 43 HN PHE 43 -12.904 -2.084 -2.084 276 HA PHE 43 HA PHE 43 -11.566 -1.991 -1.991 277 1HB PHE 43 HB2 PHE 43 -10.921 -3.058 -3.058 278 2HB PHE 43 HB1 PHE 43 -9.798 -1.727 -1.727 279 HD1 PHE 43 HD2 PHE 43 -9.892 -1.955 -1.955 280 HD2 PHE 43 HD1 PHE 43 -9.265 -4.798 -4.798 281 HE1 PHE 43 HE2 PHE 43 -8.568 -3.384 -3.384 282 HE2 PHE 43 HE1 PHE 43 -7.938 -6.221 -6.221 283 HZ PHE 43 HZ PHE 43 -7.591 -5.512 -5.512 284 H VAL 44 HN VAL 44 -11.858 0.113 0.113 285 HA VAL 44 HA VAL 44 -10.939 2.294 2.294 286 HB VAL 44 HB VAL 44 -12.835 3.305 3.305 287 1HG1 VAL 44 HG11 VAL 44 -12.843 1.128 1.128 288 2HG1 VAL 44 HG13 VAL 44 -13.854 2.539 2.539 289 3HG1 VAL 44 HG12 VAL 44 -14.071 1.570 1.570 290 1HG2 VAL 44 HG21 VAL 44 -11.140 4.571 4.571 291 2HG2 VAL 44 HG23 VAL 44 -12.667 4.506 4.506 292 3HG2 VAL 44 HG22 VAL 44 -11.329 3.464 3.464 293 H VAL 45 HN VAL 45 -8.835 2.717 2.717 294 HA VAL 45 HA VAL 45 -7.710 2.550 2.550 295 HB VAL 45 HB VAL 45 -6.148 2.168 2.168 296 1HG1 VAL 45 HG11 VAL 45 -5.647 1.655 1.655 297 2HG1 VAL 45 HG13 VAL 45 -4.649 0.936 0.936 298 3HG1 VAL 45 HG12 VAL 45 -4.726 2.689 2.689 299 1HG2 VAL 45 HG22 VAL 45 -8.094 0.418 0.418 300 2HG2 VAL 45 HG21 VAL 45 -7.026 0.116 0.116 301 3HG2 VAL 45 HG23 VAL 45 -6.498 -0.284 -0.284 302 H THR 46 HN THR 46 -6.278 4.222 4.222 303 HA THR 46 HA THR 46 -5.603 6.287 6.287 304 HB THR 46 HB THR 46 -6.889 7.821 7.821 305 HG1 THR 46 HG1 THR 46 -8.650 6.794 6.794 306 1HG2 THR 46 HG23 THR 46 -6.595 8.186 8.186 307 2HG2 THR 46 HG22 THR 46 -7.979 7.117 7.117 308 3HG2 THR 46 HG21 THR 46 -8.171 8.631 8.631 309 H ILE 47 HN ILE 47 -3.781 7.240 7.240 310 HA ILE 47 HA ILE 47 -2.948 7.112 7.112 311 HB ILE 47 HB ILE 47 -1.378 6.674 6.674 312 1HG1 ILE 47 HG12 ILE 47 -1.956 5.223 5.223 313 2HG1 ILE 47 HG11 ILE 47 -1.605 4.588 4.588 314 1HG2 ILE 47 HG22 ILE 47 -0.269 7.703 7.703 315 2HG2 ILE 47 HG21 ILE 47 0.708 7.097 7.097 316 3HG2 ILE 47 HG23 ILE 47 -0.250 8.553 8.553 317 1HD1 ILE 47 HD11 ILE 47 0.808 5.462 5.462 318 2HD1 ILE 47 HD13 ILE 47 0.335 5.503 5.503 319 3HD1 ILE 47 HD12 ILE 47 0.312 3.978 3.978 320 H GLU 48 HN GLU 48 -1.673 8.958 8.958 321 HA GLU 48 HA GLU 48 -1.164 11.106 11.106 322 1HB GLU 48 HB2 GLU 48 -2.868 12.675 12.675 323 2HB GLU 48 HB1 GLU 48 -3.365 11.795 11.795 324 1HG GLU 48 HG2 GLU 48 -4.192 9.944 9.944 325 2HG GLU 48 HG1 GLU 48 -3.742 10.869 10.869 326 H GLY 49 HN GLY 49 -0.131 12.869 12.869 327 1HA GLY 49 HA2 GLY 49 0.298 12.973 12.973 328 2HA GLY 49 HA1 GLY 49 1.721 12.494 12.494 329 HA PRO 50 HA PRO 50 1.463 17.121 17.121 330 1HB PRO 50 HB2 PRO 50 3.968 17.540 17.540 331 2HB PRO 50 HB1 PRO 50 2.501 17.399 17.399 332 1HG PRO 50 HG2 PRO 50 4.694 15.414 15.414 333 2HG PRO 50 HG1 PRO 50 3.601 15.614 15.614 334 1HD PRO 50 HD2 PRO 50 3.368 13.646 13.646 335 2HD PRO 50 HD1 PRO 50 2.109 14.086 14.086 336 H ALA 51 HN ALA 51 1.669 16.240 16.240 337 HA ALA 51 HA ALA 51 4.161 17.325 17.325 338 1HB ALA 51 HB2 ALA 51 4.093 14.605 14.605 339 2HB ALA 51 HB1 ALA 51 3.656 14.680 14.680 340 3HB ALA 51 HB3 ALA 51 5.173 15.389 15.389 341 HA PRO 52 HA PRO 52 1.615 18.113 18.113 342 1HB PRO 52 HB2 PRO 52 3.201 17.442 17.442 343 2HB PRO 52 HB1 PRO 52 3.449 18.888 18.888 344 1HG PRO 52 HG2 PRO 52 5.003 16.339 16.339 345 2HG PRO 52 HG1 PRO 52 5.533 17.973 17.973 346 1HD PRO 52 HD2 PRO 52 4.897 15.921 15.921 347 2HD PRO 52 HD1 PRO 52 5.055 17.646 17.646 348 H VAL 53 HN VAL 53 3.299 15.007 15.007 349 HA VAL 53 HA VAL 53 0.893 13.974 13.974 350 HB VAL 53 HB VAL 53 2.395 11.891 11.891 351 1HG1 VAL 53 HG12 VAL 53 2.705 14.551 14.551 352 2HG1 VAL 53 HG11 VAL 53 4.067 13.455 13.455 353 3HG1 VAL 53 HG13 VAL 53 2.450 12.977 12.977 354 1HG2 VAL 53 HG22 VAL 53 3.843 13.098 13.098 355 2HG2 VAL 53 HG21 VAL 53 4.521 11.923 11.923 356 3HG2 VAL 53 HG23 VAL 53 4.726 13.648 13.648 357 H ASP 54 HN ASP 54 -0.452 14.061 14.061 358 HA ASP 54 HA ASP 54 0.386 12.166 12.166 359 1HB ASP 54 HB2 ASP 54 -1.661 14.350 14.350 360 2HB ASP 54 HB1 ASP 54 -1.796 13.127 13.127 361 HA PRO 55 HA PRO 55 -3.753 10.095 10.095 362 1HB PRO 55 HB2 PRO 55 -5.349 11.213 11.213 363 2HB PRO 55 HB1 PRO 55 -5.450 11.641 11.641 364 1HG PRO 55 HG2 PRO 55 -4.242 13.189 13.189 365 2HG PRO 55 HG1 PRO 55 -4.992 13.781 13.781 366 1HD PRO 55 HD2 PRO 55 -2.222 13.619 13.619 367 2HD PRO 55 HD1 PRO 55 -3.006 13.782 13.782 368 H VAL 56 HN VAL 56 -2.666 8.374 8.374 369 HA VAL 56 HA VAL 56 -2.702 8.546 8.546 370 HB VAL 56 HB VAL 56 -0.414 7.400 7.400 371 1HG1 VAL 56 HG12 VAL 56 -1.125 7.822 7.822 372 2HG1 VAL 56 HG11 VAL 56 0.549 8.173 8.173 373 3HG1 VAL 56 HG13 VAL 56 -0.122 6.571 6.571 374 1HG2 VAL 56 HG23 VAL 56 -0.671 9.852 9.852 375 2HG2 VAL 56 HG22 VAL 56 0.805 9.483 9.483 376 3HG2 VAL 56 HG21 VAL 56 -0.591 10.156 10.156 377 H MET 57 HN MET 57 -4.389 6.954 6.954 378 HA MET 57 HA MET 57 -3.438 4.239 4.239 379 1HB MET 57 HB2 MET 57 -5.451 3.594 3.594 380 2HB MET 57 HB1 MET 57 -4.957 5.116 5.116 381 1HG MET 57 HG2 MET 57 -7.173 5.617 5.617 382 2HG MET 57 HG1 MET 57 -6.475 6.117 6.117 383 1HE MET 57 HE1 MET 57 -8.955 6.022 6.022 384 2HE MET 57 HE3 MET 57 -7.945 5.579 5.579 385 3HE MET 57 HE2 MET 57 -9.430 4.692 4.692 386 H VAL 58 HN VAL 58 -3.921 2.703 2.703 387 HA VAL 58 HA VAL 58 -5.909 3.403 3.403 388 HB VAL 58 HB VAL 58 -3.546 1.916 1.916 389 1HG1 VAL 58 HG13 VAL 58 -5.678 3.518 3.518 390 2HG1 VAL 58 HG12 VAL 58 -4.162 4.294 4.294 391 3HG1 VAL 58 HG11 VAL 58 -4.467 2.618 2.618 392 1HG2 VAL 58 HG22 VAL 58 -2.563 3.645 3.645 393 2HG2 VAL 58 HG21 VAL 58 -2.067 3.828 3.828 394 3HG2 VAL 58 HG23 VAL 58 -3.303 4.888 4.888 395 H ASP 59 HN ASP 59 -6.725 1.531 1.531 396 HA ASP 59 HA ASP 59 -6.367 -1.057 -1.057 397 1HB ASP 59 HB2 ASP 59 -8.574 -0.099 -0.099 398 2HB ASP 59 HB1 ASP 59 -8.871 0.117 0.117 399 H ASN 60 HN ASN 60 -5.710 -2.718 -2.718 400 HA ASN 60 HA ASN 60 -5.488 -2.159 -2.159 401 1HB ASN 60 HB2 ASN 60 -4.510 -4.461 -4.461 402 2HB ASN 60 HB1 ASN 60 -4.240 -4.344 -4.344 403 1HD2 ASN 60 HD22 ASN 60 -1.213 -2.780 -2.780 404 2HD2 ASN 60 HD21 ASN 60 -1.859 -4.304 -4.304 405 H GLY 61 HN GLY 61 -7.495 -4.135 -4.135 406 1HA GLY 61 HA2 GLY 61 -9.625 -4.965 -4.965 407 2HA GLY 61 HA1 GLY 61 -9.038 -4.874 -4.874 408 H ASP 62 HN ASP 62 -7.317 -6.440 -6.440 409 HA ASP 62 HA ASP 62 -7.987 -9.090 -9.090 410 1HB ASP 62 HB2 ASP 62 -5.485 -9.659 -9.659 411 2HB ASP 62 HB1 ASP 62 -5.919 -8.691 -8.691 412 H GLY 63 HN GLY 63 -8.656 -7.589 -7.589 413 1HA GLY 63 HA2 GLY 63 -9.103 -8.398 -8.398 414 2HA GLY 63 HA1 GLY 63 -8.090 -9.796 -9.796 415 H THR 64 HN THR 64 -6.110 -7.521 -7.521 416 HA THR 64 HA THR 64 -5.026 -6.947 -6.947 417 HB THR 64 HB THR 64 -2.760 -7.108 -7.108 418 HG1 THR 64 HG1 THR 64 -2.715 -7.068 -7.068 419 1HG2 THR 64 HG22 THR 64 -4.587 -9.509 -9.509 420 2HG2 THR 64 HG21 THR 64 -2.828 -9.603 -9.603 421 3HG2 THR 64 HG23 THR 64 -3.599 -9.067 -9.067 422 H TYR 65 HN TYR 65 -4.822 -4.736 -4.736 423 HA TYR 65 HA TYR 65 -4.661 -2.991 -2.991 424 1HB TYR 65 HB2 TYR 65 -5.975 -2.310 -2.310 425 2HB TYR 65 HB1 TYR 65 -6.001 -1.341 -1.341 426 HD1 TYR 65 HD2 TYR 65 -6.220 -3.613 -3.613 427 HD2 TYR 65 HD1 TYR 65 -8.357 -2.811 -2.811 428 HE1 TYR 65 HE2 TYR 65 -8.127 -4.926 -4.926 429 HE2 TYR 65 HE1 TYR 65 -10.271 -4.128 -4.128 430 HH TYR 65 HH TYR 65 -10.134 -6.268 -6.268 431 H ASP 66 HN ASP 66 -3.396 -0.966 -0.966 432 HA ASP 66 HA ASP 66 -1.419 -1.336 -1.336 433 1HB ASP 66 HB2 ASP 66 0.359 -0.711 -0.711 434 2HB ASP 66 HB1 ASP 66 -0.588 -1.931 -1.931 435 H VAL 67 HN VAL 67 -0.450 0.575 0.575 436 HA VAL 67 HA VAL 67 -1.741 3.124 3.124 437 HB VAL 67 HB VAL 67 -2.335 3.644 3.644 438 1HG1 VAL 67 HG12 VAL 67 -2.813 0.694 0.694 439 2HG1 VAL 67 HG11 VAL 67 -3.604 1.585 1.585 440 3HG1 VAL 67 HG13 VAL 67 -3.905 2.026 2.026 441 1HG2 VAL 67 HG21 VAL 67 -0.490 1.390 1.390 442 2HG2 VAL 67 HG23 VAL 67 -0.451 3.059 3.059 443 3HG2 VAL 67 HG22 VAL 67 -1.700 1.958 1.958 444 H GLU 68 HN GLU 68 -0.257 4.984 4.984 445 HA GLU 68 HA GLU 68 2.348 4.340 4.340 446 1HB GLU 68 HB2 GLU 68 2.368 5.345 5.345 447 2HB GLU 68 HB1 GLU 68 3.687 4.609 4.609 448 1HG GLU 68 HG2 GLU 68 2.526 2.441 2.441 449 2HG GLU 68 HG1 GLU 68 1.154 3.171 3.171 450 H PHE 69 HN PHE 69 3.093 6.068 6.068 451 HA PHE 69 HA PHE 69 2.618 8.762 8.762 452 1HB PHE 69 HB2 PHE 69 2.021 9.785 9.785 453 2HB PHE 69 HB1 PHE 69 0.976 8.377 8.377 454 HD1 PHE 69 HD2 PHE 69 2.260 6.118 6.118 455 HD2 PHE 69 HD1 PHE 69 2.957 10.159 10.159 456 HE1 PHE 69 HE2 PHE 69 3.149 5.297 5.297 457 HE2 PHE 69 HE1 PHE 69 3.849 9.333 9.333 458 HZ PHE 69 HZ PHE 69 3.932 6.876 6.876 459 H GLU 70 HN GLU 70 4.356 10.303 10.303 460 HA GLU 70 HA GLU 70 6.610 9.120 9.120 461 1HB GLU 70 HB2 GLU 70 8.210 9.396 9.396 462 2HB GLU 70 HB1 GLU 70 6.895 8.346 8.346 463 1HG GLU 70 HG2 GLU 70 6.586 9.718 9.718 464 2HG GLU 70 HG1 GLU 70 6.063 10.962 10.962 465 HA PRO 71 HA PRO 71 6.410 13.529 13.529 466 1HB PRO 71 HB2 PRO 71 7.651 13.254 13.254 467 2HB PRO 71 HB1 PRO 71 5.925 12.955 12.955 468 1HG PRO 71 HG2 PRO 71 8.127 10.989 10.989 469 2HG PRO 71 HG1 PRO 71 6.398 10.823 10.823 470 1HD PRO 71 HD2 PRO 71 7.769 9.743 9.743 471 2HD PRO 71 HD1 PRO 71 6.007 9.849 9.849 472 H LYS 72 HN LYS 72 8.422 14.691 14.691 473 HA LYS 72 HA LYS 72 11.018 14.147 14.147 474 1HB LYS 72 HB2 LYS 72 11.058 16.836 16.836 475 2HB LYS 72 HB1 LYS 72 10.495 15.848 15.848 476 1HG LYS 72 HG2 LYS 72 8.170 16.053 16.053 477 2HG LYS 72 HG1 LYS 72 8.733 17.053 17.053 478 1HD LYS 72 HD2 LYS 72 9.558 17.902 17.902 479 2HD LYS 72 HD1 LYS 72 7.855 18.104 18.104 480 1HE LYS 72 HE2 LYS 72 10.099 19.070 19.070 481 2HE LYS 72 HE1 LYS 72 9.340 20.089 20.089 482 1HZ LYS 72 HZ1 LYS 72 7.342 18.814 18.814 483 2HZ LYS 72 HZ3 LYS 72 8.434 19.549 19.549 484 3HZ LYS 72 HZ2 LYS 72 7.669 20.475 20.475 485 H GLU 73 HN GLU 73 9.550 16.533 16.533 486 HA GLU 73 HA GLU 73 12.073 16.509 16.509 487 1HB GLU 73 HB2 GLU 73 10.997 18.276 18.276 488 2HB GLU 73 HB1 GLU 73 10.795 18.613 18.613 489 1HG GLU 73 HG2 GLU 73 8.542 18.368 18.368 490 2HG GLU 73 HG1 GLU 73 8.655 16.931 16.931 491 H ALA 74 HN ALA 74 10.386 16.956 16.956 492 HA ALA 74 HA ALA 74 10.236 14.088 14.088 493 1HB ALA 74 HB2 ALA 74 10.010 16.575 16.575 494 2HB ALA 74 HB1 ALA 74 9.970 14.921 14.921 495 3HB ALA 74 HB3 ALA 74 11.429 15.541 15.541 496 H GLY 75 HN GLY 75 8.295 13.045 13.045 497 1HA GLY 75 HA2 GLY 75 5.833 14.578 14.578 498 2HA GLY 75 HA1 GLY 75 5.952 13.818 13.818 499 H ASP 76 HN ASP 76 3.963 13.158 13.158 500 HA ASP 76 HA ASP 76 4.746 10.386 10.386 501 1HB ASP 76 HB2 ASP 76 2.779 10.544 10.544 502 2HB ASP 76 HB1 ASP 76 4.012 11.751 11.751 503 H TYR 77 HN TYR 77 3.126 8.750 8.750 504 HA TYR 77 HA TYR 77 1.476 9.547 9.547 505 1HB TYR 77 HB2 TYR 77 2.388 6.749 6.749 506 2HB TYR 77 HB1 TYR 77 1.739 7.375 7.375 507 HD1 TYR 77 HD1 TYR 77 3.324 10.043 10.043 508 HD2 TYR 77 HD2 TYR 77 4.418 5.906 5.906 509 HE1 TYR 77 HE1 TYR 77 5.584 10.592 10.592 510 HE2 TYR 77 HE2 TYR 77 6.677 6.443 6.443 511 HH TYR 77 HH TYR 77 7.791 8.205 8.205 512 H VAL 78 HN VAL 78 -0.608 9.204 9.204 513 HA VAL 78 HA VAL 78 -1.726 7.559 7.559 514 HB VAL 78 HB VAL 78 -2.594 9.717 9.717 515 1HG1 VAL 78 HG12 VAL 78 -2.625 9.839 9.839 516 2HG1 VAL 78 HG11 VAL 78 -3.614 10.951 10.951 517 3HG1 VAL 78 HG13 VAL 78 -1.861 10.945 10.945 518 1HG2 VAL 78 HG21 VAL 78 -4.343 7.962 7.962 519 2HG2 VAL 78 HG23 VAL 78 -4.955 9.552 9.552 520 3HG2 VAL 78 HG22 VAL 78 -4.569 8.362 8.362 521 H ILE 79 HN ILE 79 -2.716 5.763 5.763 522 HA ILE 79 HA ILE 79 -3.088 5.504 5.504 523 HB ILE 79 HB ILE 79 -3.362 2.981 2.981 524 1HG1 ILE 79 HG12 ILE 79 -1.041 4.631 4.631 525 2HG1 ILE 79 HG11 ILE 79 -2.255 3.776 3.776 526 1HG2 ILE 79 HG21 ILE 79 -2.426 3.610 3.610 527 2HG2 ILE 79 HG23 ILE 79 -0.947 4.099 4.099 528 3HG2 ILE 79 HG22 ILE 79 -1.478 2.417 2.417 529 1HD1 ILE 79 HD11 ILE 79 -1.360 1.678 1.678 530 2HD1 ILE 79 HD13 ILE 79 0.082 2.679 2.679 531 3HD1 ILE 79 HD12 ILE 79 -0.513 2.245 2.245 532 H ASN 80 HN ASN 80 -4.797 4.346 4.346 533 HA ASN 80 HA ASN 80 -7.170 3.909 3.909 534 1HB ASN 80 HB2 ASN 80 -7.456 5.585 5.585 535 2HB ASN 80 HB1 ASN 80 -8.558 5.419 5.419 536 1HD2 ASN 80 HD22 ASN 80 -7.178 8.137 8.137 537 2HD2 ASN 80 HD21 ASN 80 -8.470 7.052 7.052 538 H LEU 81 HN LEU 81 -7.629 1.883 1.883 539 HA LEU 81 HA LEU 81 -7.655 1.168 1.168 540 1HB LEU 81 HB2 LEU 81 -5.569 0.259 0.259 541 2HB LEU 81 HB1 LEU 81 -6.430 -0.416 -0.416 542 HG LEU 81 HG LEU 81 -5.767 -1.862 -1.862 543 1HD1 LEU 81 HD11 LEU 81 -8.093 -2.035 -2.035 544 2HD1 LEU 81 HD13 LEU 81 -7.809 -3.299 -3.299 545 3HD1 LEU 81 HD12 LEU 81 -6.577 -2.934 -2.934 546 1HD2 LEU 81 HD23 LEU 81 -7.615 -0.236 -0.236 547 2HD2 LEU 81 HD22 LEU 81 -7.304 -1.880 -1.880 548 3HD2 LEU 81 HD21 LEU 81 -8.650 -1.544 -1.544 549 H THR 82 HN THR 82 -9.712 0.471 0.471 550 HA THR 82 HA THR 82 -11.137 -0.930 -0.930 551 HB THR 82 HB THR 82 -13.178 0.440 0.440 552 HG1 THR 82 HG1 THR 82 -11.313 1.327 1.327 553 1HG2 THR 82 HG21 THR 82 -11.039 1.031 1.031 554 2HG2 THR 82 HG23 THR 82 -11.842 2.494 2.494 555 3HG2 THR 82 HG22 THR 82 -12.782 1.212 1.212 556 H LEU 83 HN LEU 83 -12.307 -2.671 -2.671 557 HA LEU 83 HA LEU 83 -13.074 -2.980 -2.980 558 1HB LEU 83 HB2 LEU 83 -10.938 -4.263 -4.263 559 2HB LEU 83 HB1 LEU 83 -11.850 -5.250 -5.250 560 HG LEU 83 HG LEU 83 -11.545 -6.050 -6.050 561 1HD1 LEU 83 HD11 LEU 83 -13.015 -6.986 -6.986 562 2HD1 LEU 83 HD13 LEU 83 -14.347 -6.182 -6.182 563 3HD1 LEU 83 HD12 LEU 83 -13.423 -7.430 -7.430 564 1HD2 LEU 83 HD21 LEU 83 -12.580 -3.793 -3.793 565 2HD2 LEU 83 HD23 LEU 83 -13.175 -5.266 -5.266 566 3HD2 LEU 83 HD22 LEU 83 -14.122 -4.488 -4.488 567 H ASP 84 HN ASP 84 -15.118 -2.303 -2.303 568 HA ASP 84 HA ASP 84 -17.215 -3.866 -3.866 569 1HB ASP 84 HB2 ASP 84 -15.612 -4.660 -4.660 570 2HB ASP 84 HB1 ASP 84 -17.372 -4.688 -4.688 571 H GLY 85 HN GLY 85 -15.389 -1.600 -1.600 572 1HA GLY 85 HA2 GLY 85 -16.709 0.614 0.614 573 2HA GLY 85 HA1 GLY 85 -17.881 -0.363 -0.363 574 H ASP 86 HN ASP 86 -14.841 -1.616 -1.616 575 HA ASP 86 HA ASP 86 -14.545 0.203 0.203 576 1HB ASP 86 HB2 ASP 86 -13.744 -1.869 -1.869 577 2HB ASP 86 HB1 ASP 86 -15.463 -1.870 -1.870 578 H ASN 87 HN ASN 87 -12.171 -0.150 -0.150 579 HA ASN 87 HA ASN 87 -10.393 -0.212 -0.212 580 1HB ASN 87 HB2 ASN 87 -9.966 1.016 1.016 581 2HB ASN 87 HB1 ASN 87 -8.796 1.061 1.061 582 1HD2 ASN 87 HD22 ASN 87 -12.276 3.220 3.220 583 2HD2 ASN 87 HD21 ASN 87 -12.313 1.794 1.794 584 H VAL 88 HN VAL 88 -8.392 -1.403 -1.403 585 HA VAL 88 HA VAL 88 -8.638 -3.868 -3.868 586 HB VAL 88 HB VAL 88 -6.541 -2.625 -2.625 587 1HG1 VAL 88 HG11 VAL 88 -5.293 -3.618 -3.618 588 2HG1 VAL 88 HG13 VAL 88 -6.079 -5.160 -5.160 589 3HG1 VAL 88 HG12 VAL 88 -4.983 -4.451 -4.451 590 1HG2 VAL 88 HG23 VAL 88 -7.972 -5.298 -5.298 591 2HG2 VAL 88 HG22 VAL 88 -8.410 -3.921 -3.921 592 3HG2 VAL 88 HG21 VAL 88 -6.880 -4.759 -4.759 593 H ASN 89 HN ASN 89 -6.730 -4.632 -4.632 594 HA ASN 89 HA ASN 89 -6.694 -2.725 -2.725 595 1HB ASN 89 HB2 ASN 89 -5.413 -4.596 -4.596 596 2HB ASN 89 HB1 ASN 89 -7.037 -5.005 -5.005 597 1HD2 ASN 89 HD22 ASN 89 -4.051 -7.254 -7.254 598 2HD2 ASN 89 HD21 ASN 89 -4.028 -6.313 -6.313 599 H GLY 90 HN GLY 90 -5.048 -2.129 -2.129 600 1HA GLY 90 HA2 GLY 90 -2.604 -1.378 -1.378 601 2HA GLY 90 HA1 GLY 90 -2.364 -2.368 -2.368 602 H PHE 91 HN PHE 91 -5.046 -0.204 -0.204 603 HA PHE 91 HA PHE 91 -3.528 1.581 1.581 604 1HB PHE 91 HB2 PHE 91 -6.106 0.208 0.208 605 2HB PHE 91 HB1 PHE 91 -6.057 1.879 1.879 606 HD1 PHE 91 HD1 PHE 91 -4.642 -1.484 -1.484 607 HD2 PHE 91 HD2 PHE 91 -4.531 2.553 2.553 608 HE1 PHE 91 HE1 PHE 91 -3.264 -2.186 -2.186 609 HE2 PHE 91 HE2 PHE 91 -3.165 1.879 1.879 610 HZ PHE 91 HZ PHE 91 -2.526 -0.507 -0.507 611 HA PRO 92 HA PRO 92 -6.472 4.539 4.539 612 1HB PRO 92 HB2 PRO 92 -7.609 3.742 3.742 613 2HB PRO 92 HB1 PRO 92 -8.423 3.635 3.635 614 1HG PRO 92 HG2 PRO 92 -7.210 1.460 1.460 615 2HG PRO 92 HG1 PRO 92 -8.519 1.372 1.372 616 1HD PRO 92 HD2 PRO 92 -5.842 0.609 0.609 617 2HD PRO 92 HD1 PRO 92 -7.056 0.848 0.848 618 H LYS 93 HN LYS 93 -3.833 2.975 2.975 619 HA LYS 93 HA LYS 93 -3.238 4.407 4.407 620 1HB LYS 93 HB2 LYS 93 -2.674 1.966 1.966 621 2HB LYS 93 HB1 LYS 93 -1.596 2.339 2.339 622 1HG LYS 93 HG2 LYS 93 -0.151 3.637 3.637 623 2HG LYS 93 HG1 LYS 93 -1.333 3.694 3.694 624 1HD LYS 93 HD2 LYS 93 0.216 2.051 2.051 625 2HD LYS 93 HD1 LYS 93 -1.124 1.115 1.115 626 1HE LYS 93 HE2 LYS 93 0.131 1.112 1.112 627 2HE LYS 93 HE1 LYS 93 1.514 1.762 1.762 628 1HZ LYS 93 HZ1 LYS 93 0.108 -0.766 -0.766 629 2HZ LYS 93 HZ3 LYS 93 1.575 -0.665 -0.665 630 3HZ LYS 93 HZ2 LYS 93 1.490 -0.150 -0.150 631 H THR 94 HN THR 94 -1.002 5.393 5.393 632 HA THR 94 HA THR 94 -0.489 6.671 6.671 633 HB THR 94 HB THR 94 -0.148 7.939 7.939 634 HG1 THR 94 HG1 THR 94 -2.362 7.431 7.431 635 1HG2 THR 94 HG21 THR 94 1.100 8.590 8.590 636 2HG2 THR 94 HG23 THR 94 -0.405 9.477 9.477 637 3HG2 THR 94 HG22 THR 94 0.593 9.797 9.797 638 H VAL 95 HN VAL 95 1.526 6.443 6.443 639 HA VAL 95 HA VAL 95 3.523 5.375 5.375 640 HB VAL 95 HB VAL 95 3.426 5.324 5.324 641 1HG1 VAL 95 HG12 VAL 95 5.759 5.752 5.752 642 2HG1 VAL 95 HG11 VAL 95 5.635 4.028 4.028 643 3HG1 VAL 95 HG13 VAL 95 5.599 4.588 4.588 644 1HG2 VAL 95 HG21 VAL 95 2.148 3.624 3.624 645 2HG2 VAL 95 HG23 VAL 95 3.418 2.929 2.929 646 3HG2 VAL 95 HG22 VAL 95 3.671 3.117 3.117 647 H THR 96 HN THR 96 5.641 6.471 6.471 648 HA THR 96 HA THR 96 5.385 9.299 9.299 649 HB THR 96 HB THR 96 6.642 8.192 8.192 650 HG1 THR 96 HG1 THR 96 4.901 10.128 10.128 651 1HG2 THR 96 HG23 THR 96 7.201 10.616 10.616 652 2HG2 THR 96 HG22 THR 96 6.531 10.998 10.998 653 3HG2 THR 96 HG21 THR 96 7.980 10.002 10.002 654 H VAL 97 HN VAL 97 6.990 10.275 10.275 655 HA VAL 97 HA VAL 97 9.628 8.903 8.903 656 HB VAL 97 HB VAL 97 7.867 10.233 10.233 657 1HG1 VAL 97 HG13 VAL 97 10.878 10.037 10.037 658 2HG1 VAL 97 HG12 VAL 97 9.867 10.380 10.380 659 3HG1 VAL 97 HG11 VAL 97 9.916 11.515 11.515 660 1HG2 VAL 97 HG21 VAL 97 9.553 7.746 7.746 661 2HG2 VAL 97 HG23 VAL 97 7.837 7.876 7.876 662 3HG2 VAL 97 HG22 VAL 97 9.044 8.382 8.382 663 H LYS 98 HN LYS 98 11.316 10.263 10.263 664 HA LYS 98 HA LYS 98 10.582 13.138 13.138 665 1HB LYS 98 HB2 LYS 98 11.679 11.184 11.184 666 2HB LYS 98 HB1 LYS 98 12.548 12.719 12.719 667 1HG LYS 98 HG2 LYS 98 10.656 13.948 13.948 668 2HG LYS 98 HG1 LYS 98 9.541 12.691 12.691 669 1HD LYS 98 HD2 LYS 98 10.098 11.273 11.273 670 2HD LYS 98 HD1 LYS 98 11.472 12.284 12.284 671 1HE LYS 98 HE2 LYS 98 10.145 13.902 13.902 672 2HE LYS 98 HE1 LYS 98 8.778 13.570 13.570 673 1HZ LYS 98 HZ1 LYS 98 8.999 11.257 11.257 674 2HZ LYS 98 HZ3 LYS 98 9.500 12.344 12.344 675 3HZ LYS 98 HZ2 LYS 98 7.974 12.526 12.526 676 HA PRO 99 HA PRO 99 15.198 13.448 13.448 677 1HB PRO 99 HB2 PRO 99 16.749 11.188 11.188 678 2HB PRO 99 HB1 PRO 99 16.436 12.113 12.113 679 1HG PRO 99 HG2 PRO 99 15.289 9.493 9.493 680 2HG PRO 99 HG1 PRO 99 15.555 10.124 10.124 681 1HD PRO 99 HD2 PRO 99 13.082 10.050 10.050 682 2HD PRO 99 HD1 PRO 99 13.453 10.997 10.997 683 H ALA 100 HN ALA 100 13.807 13.587 13.587 684 HA ALA 100 HA ALA 100 14.134 11.496 11.496 685 1HB ALA 100 HB2 ALA 100 12.517 13.557 13.557 686 2HB ALA 100 HB1 ALA 100 13.883 14.400 14.400 687 3HB ALA 100 HB3 ALA 100 13.192 12.985 12.985 Start of MODEL 16 1 1H ALA 1 HT1 ALA 1 -17.987 -8.248 -8.248 2 2H ALA 1 HT3 ALA 1 -19.174 -8.214 -8.214 3 3H ALA 1 HT2 ALA 1 -18.802 -9.675 -9.675 4 HA ALA 1 HA ALA 1 -17.539 -10.049 -10.049 5 1HB ALA 1 HB1 ALA 1 -18.044 -7.183 -7.183 6 2HB ALA 1 HB3 ALA 1 -16.447 -7.671 -7.671 7 3HB ALA 1 HB2 ALA 1 -17.890 -8.454 -8.454 8 H ASP 2 HN ASP 2 -15.919 -11.005 -11.005 9 HA ASP 2 HA ASP 2 -13.884 -11.209 -11.209 10 1HB ASP 2 HB2 ASP 2 -13.035 -10.633 -10.633 11 2HB ASP 2 HB1 ASP 2 -13.326 -8.916 -8.916 12 HA PRO 3 HA PRO 3 -14.703 -7.500 -7.500 13 1HB PRO 3 HB2 PRO 3 -16.289 -8.733 -8.733 14 2HB PRO 3 HB1 PRO 3 -16.950 -7.903 -7.903 15 1HG PRO 3 HG2 PRO 3 -16.730 -10.828 -10.828 16 2HG PRO 3 HG1 PRO 3 -17.867 -9.961 -9.961 17 1HD PRO 3 HD2 PRO 3 -15.561 -11.386 -11.386 18 2HD PRO 3 HD1 PRO 3 -16.551 -10.288 -10.288 19 H GLU 4 HN GLU 4 -13.298 -10.486 -10.486 20 HA GLU 4 HA GLU 4 -11.833 -10.045 -10.045 21 1HB GLU 4 HB2 GLU 4 -13.940 -11.829 -11.829 22 2HB GLU 4 HB1 GLU 4 -12.501 -12.831 -12.831 23 1HG GLU 4 HG2 GLU 4 -11.571 -11.708 -11.708 24 2HG GLU 4 HG1 GLU 4 -13.177 -11.018 -11.018 25 H LYS 5 HN LYS 5 -11.402 -10.318 -10.318 26 HA LYS 5 HA LYS 5 -8.864 -11.797 -11.797 27 1HB LYS 5 HB2 LYS 5 -10.931 -12.452 -12.452 28 2HB LYS 5 HB1 LYS 5 -9.290 -13.094 -13.094 29 1HG LYS 5 HG2 LYS 5 -10.028 -13.745 -13.745 30 2HG LYS 5 HG1 LYS 5 -11.625 -13.736 -13.736 31 1HD LYS 5 HD2 LYS 5 -10.853 -15.304 -15.304 32 2HD LYS 5 HD1 LYS 5 -9.231 -15.290 -15.290 33 1HE LYS 5 HE2 LYS 5 -10.632 -15.929 -15.929 34 2HE LYS 5 HE1 LYS 5 -11.704 -16.618 -16.618 35 1HZ LYS 5 HZ2 LYS 5 -8.857 -17.140 -17.140 36 2HZ LYS 5 HZ1 LYS 5 -9.630 -17.922 -17.922 37 3HZ LYS 5 HZ3 LYS 5 -10.187 -18.156 -18.156 38 H SER 6 HN SER 6 -9.418 -9.065 -9.065 39 HA SER 6 HA SER 6 -8.465 -8.415 -8.415 40 1HB SER 6 HB2 SER 6 -9.637 -6.383 -6.383 41 2HB SER 6 HB1 SER 6 -9.552 -6.338 -6.338 42 HG SER 6 HG SER 6 -11.475 -7.153 -7.153 43 H TYR 7 HN TYR 7 -6.301 -8.028 -8.028 44 HA TYR 7 HA TYR 7 -5.234 -6.422 -6.422 45 1HB TYR 7 HB2 TYR 7 -3.156 -7.940 -7.940 46 2HB TYR 7 HB1 TYR 7 -4.587 -8.602 -8.602 47 HD1 TYR 7 HD2 TYR 7 -6.245 -9.937 -9.937 48 HD2 TYR 7 HD1 TYR 7 -2.187 -9.075 -9.075 49 HE1 TYR 7 HE2 TYR 7 -6.305 -11.786 -11.786 50 HE2 TYR 7 HE1 TYR 7 -2.247 -10.925 -10.925 51 HH TYR 7 HH TYR 7 -3.617 -13.127 -13.127 52 H ALA 8 HN ALA 8 -3.610 -4.998 -4.998 53 HA ALA 8 HA ALA 8 -2.696 -4.956 -4.956 54 1HB ALA 8 HB3 ALA 8 -4.081 -2.922 -2.922 55 2HB ALA 8 HB2 ALA 8 -2.477 -2.352 -2.352 56 3HB ALA 8 HB1 ALA 8 -3.607 -2.902 -2.902 57 H GLU 9 HN GLU 9 -0.503 -5.303 -5.303 58 HA GLU 9 HA GLU 9 1.125 -4.110 -4.110 59 1HB GLU 9 HB2 GLU 9 2.495 -6.287 -6.287 60 2HB GLU 9 HB1 GLU 9 0.928 -6.349 -6.349 61 1HG GLU 9 HG2 GLU 9 -0.050 -7.175 -7.175 62 2HG GLU 9 HG1 GLU 9 1.605 -7.340 -7.340 63 H GLY 10 HN GLY 10 3.168 -3.463 -3.463 64 1HA GLY 10 HA2 GLY 10 4.273 -4.257 -4.257 65 2HA GLY 10 HA1 GLY 10 3.660 -2.609 -2.609 66 HA PRO 11 HA PRO 11 7.964 -2.617 -2.617 67 1HB PRO 11 HB2 PRO 11 9.239 -1.545 -1.545 68 2HB PRO 11 HB1 PRO 11 9.107 -3.289 -3.289 69 1HG PRO 11 HG2 PRO 11 7.635 -1.593 -1.593 70 2HG PRO 11 HG1 PRO 11 8.016 -3.322 -3.322 71 1HD PRO 11 HD2 PRO 11 5.511 -2.206 -2.206 72 2HD PRO 11 HD1 PRO 11 6.004 -3.895 -3.895 73 H GLY 12 HN GLY 12 5.500 -0.702 -0.702 74 1HA GLY 12 HA2 GLY 12 6.908 1.859 1.859 75 2HA GLY 12 HA1 GLY 12 5.461 1.731 1.731 76 H LEU 13 HN LEU 13 5.686 3.342 3.342 77 HA LEU 13 HA LEU 13 4.024 3.892 3.892 78 1HB LEU 13 HB2 LEU 13 2.125 2.728 2.728 79 2HB LEU 13 HB1 LEU 13 2.790 1.846 1.846 80 HG LEU 13 HG LEU 13 3.740 0.605 0.605 81 1HD1 LEU 13 HD13 LEU 13 1.311 1.890 1.890 82 2HD1 LEU 13 HD12 LEU 13 0.873 0.217 0.217 83 3HD1 LEU 13 HD11 LEU 13 2.004 0.578 0.578 84 1HD2 LEU 13 HD22 LEU 13 2.382 -0.056 -0.056 85 2HD2 LEU 13 HD21 LEU 13 3.443 -1.059 -1.059 86 3HD2 LEU 13 HD23 LEU 13 1.719 -0.973 -0.973 87 H ASP 14 HN ASP 14 6.505 1.727 1.727 88 HA ASP 14 HA ASP 14 6.346 0.891 0.891 89 1HB ASP 14 HB2 ASP 14 8.864 1.427 1.427 90 2HB ASP 14 HB1 ASP 14 8.642 0.284 0.284 91 H GLY 15 HN GLY 15 7.011 3.815 3.815 92 1HA GLY 15 HA2 GLY 15 7.330 5.973 5.973 93 2HA GLY 15 HA1 GLY 15 7.442 5.216 5.216 94 H GLY 16 HN GLY 16 9.279 5.838 5.838 95 1HA GLY 16 HA2 GLY 16 11.591 6.047 6.047 96 2HA GLY 16 HA1 GLY 16 11.797 4.902 4.902 97 H GLU 17 HN GLU 17 11.359 5.987 5.987 98 HA GLU 17 HA GLU 17 12.628 8.693 8.693 99 1HB GLU 17 HB2 GLU 17 13.184 6.377 6.377 100 2HB GLU 17 HB1 GLU 17 13.719 8.007 8.007 101 1HG GLU 17 HG2 GLU 17 15.403 7.883 7.883 102 2HG GLU 17 HG1 GLU 17 14.334 7.214 7.214 103 H CYS 18 HN CYS 18 11.892 10.208 10.208 104 HA CYS 18 HA CYS 18 9.340 9.695 9.695 105 1HB CYS 18 HB2 CYS 18 10.857 12.154 12.154 106 2HB CYS 18 HB1 CYS 18 9.816 12.254 12.254 107 HG CYS 18 HG CYS 18 8.053 11.056 11.056 108 H PHE 19 HN PHE 19 12.691 9.961 9.961 109 HA PHE 19 HA PHE 19 12.199 10.666 10.666 110 1HB PHE 19 HB2 PHE 19 14.693 10.141 10.141 111 2HB PHE 19 HB1 PHE 19 14.737 10.338 10.338 112 HD1 PHE 19 HD2 PHE 19 13.541 12.366 12.366 113 HD2 PHE 19 HD1 PHE 19 14.569 12.037 12.037 114 HE1 PHE 19 HE2 PHE 19 13.250 14.810 14.810 115 HE2 PHE 19 HE1 PHE 19 14.270 14.485 14.485 116 HZ PHE 19 HZ PHE 19 13.595 15.850 15.850 117 H GLN 20 HN GLN 20 11.568 7.981 7.981 118 HA GLN 20 HA GLN 20 12.781 6.170 6.170 119 1HB GLN 20 HB2 GLN 20 11.257 5.625 5.625 120 2HB GLN 20 HB1 GLN 20 11.749 4.363 4.363 121 1HG GLN 20 HG2 GLN 20 13.575 6.260 6.260 122 2HG GLN 20 HG1 GLN 20 13.424 4.521 4.521 123 1HE2 GLN 20 HE21 GLN 20 15.716 6.378 6.378 124 2HE2 GLN 20 HE22 GLN 20 16.236 5.571 5.571 125 HA PRO 21 HA PRO 21 8.970 6.278 6.278 126 1HB PRO 21 HB2 PRO 21 8.981 3.762 3.762 127 2HB PRO 21 HB1 PRO 21 9.969 5.110 5.110 128 1HG PRO 21 HG2 PRO 21 10.801 2.735 2.735 129 2HG PRO 21 HG1 PRO 21 11.740 3.683 3.683 130 1HD PRO 21 HD2 PRO 21 11.944 3.915 3.915 131 2HD PRO 21 HD1 PRO 21 12.494 5.137 5.137 132 H SER 22 HN SER 22 6.874 5.992 5.992 133 HA SER 22 HA SER 22 6.516 3.794 3.794 134 1HB SER 22 HB2 SER 22 5.923 6.473 6.473 135 2HB SER 22 HB1 SER 22 4.373 5.735 5.735 136 HG SER 22 HG SER 22 5.238 4.189 4.189 137 H LYS 23 HN LYS 23 5.688 2.000 2.000 138 HA LYS 23 HA LYS 23 3.241 2.313 2.313 139 1HB LYS 23 HB2 LYS 23 5.469 0.629 0.629 140 2HB LYS 23 HB1 LYS 23 4.077 1.308 1.308 141 1HG LYS 23 HG2 LYS 23 5.020 3.587 3.587 142 2HG LYS 23 HG1 LYS 23 6.449 2.858 2.858 143 1HD LYS 23 HD2 LYS 23 5.460 2.471 2.471 144 2HD LYS 23 HD1 LYS 23 6.929 3.307 3.307 145 1HE LYS 23 HE2 LYS 23 7.310 0.905 0.905 146 2HE LYS 23 HE1 LYS 23 6.389 0.401 0.401 147 1HZ LYS 23 HZ2 LYS 23 8.400 2.330 2.330 148 2HZ LYS 23 HZ1 LYS 23 9.061 0.933 0.933 149 3HZ LYS 23 HZ3 LYS 23 8.106 0.804 0.804 150 H PHE 24 HN PHE 24 1.879 0.607 0.607 151 HA PHE 24 HA PHE 24 2.991 -1.942 -1.942 152 1HB PHE 24 HB2 PHE 24 0.541 -1.499 -1.499 153 2HB PHE 24 HB1 PHE 24 2.150 -1.744 -1.744 154 HD1 PHE 24 HD2 PHE 24 3.736 0.359 0.359 155 HD2 PHE 24 HD1 PHE 24 -0.548 0.485 0.485 156 HE1 PHE 24 HE2 PHE 24 3.841 2.734 2.734 157 HE2 PHE 24 HE1 PHE 24 -0.447 2.867 2.867 158 HZ PHE 24 HZ PHE 24 1.758 3.981 3.981 159 H LYS 25 HN LYS 25 1.439 -3.731 -3.731 160 HA LYS 25 HA LYS 25 -0.560 -3.163 -3.163 161 1HB LYS 25 HB2 LYS 25 1.113 -5.620 -5.620 162 2HB LYS 25 HB1 LYS 25 -0.265 -5.649 -5.649 163 1HG LYS 25 HG2 LYS 25 0.762 -3.976 -3.976 164 2HG LYS 25 HG1 LYS 25 2.088 -3.761 -3.761 165 1HD LYS 25 HD2 LYS 25 3.126 -5.263 -5.263 166 2HD LYS 25 HD1 LYS 25 2.265 -6.427 -6.427 167 1HE LYS 25 HE2 LYS 25 0.406 -6.465 -6.465 168 2HE LYS 25 HE1 LYS 25 1.251 -5.288 -5.288 169 1HZ LYS 25 HZ1 LYS 25 3.097 -6.888 -6.888 170 2HZ LYS 25 HZ3 LYS 25 2.172 -8.028 -8.028 171 3HZ LYS 25 HZ2 LYS 25 1.650 -7.475 -7.475 172 H ILE 26 HN ILE 26 -2.655 -3.918 -3.918 173 HA ILE 26 HA ILE 26 -3.132 -4.995 -4.995 174 HB ILE 26 HB ILE 26 -5.222 -3.729 -3.729 175 1HG1 ILE 26 HG12 ILE 26 -3.092 -2.400 -2.400 176 2HG1 ILE 26 HG11 ILE 26 -3.436 -2.120 -2.120 177 1HG2 ILE 26 HG22 ILE 26 -4.798 -4.267 -4.267 178 2HG2 ILE 26 HG21 ILE 26 -5.925 -3.016 -3.016 179 3HG2 ILE 26 HG23 ILE 26 -6.178 -4.692 -4.692 180 1HD1 ILE 26 HD11 ILE 26 -5.754 -1.690 -1.690 181 2HD1 ILE 26 HD13 ILE 26 -4.408 -0.597 -0.597 182 3HD1 ILE 26 HD12 ILE 26 -5.114 -0.678 -0.678 183 H HIS 27 HN HIS 27 -4.440 -6.779 -6.779 184 HA HIS 27 HA HIS 27 -5.433 -8.107 -8.107 185 1HB HIS 27 HB2 HIS 27 -4.038 -9.667 -9.667 186 2HB HIS 27 HB1 HIS 27 -4.390 -10.164 -10.164 187 HD1 HIS 27 HD1 HIS 27 -2.489 -7.266 -7.266 188 HD2 HIS 27 HD2 HIS 27 -2.100 -9.989 -9.989 189 HE1 HIS 27 HE1 HIS 27 -0.321 -6.716 -6.716 190 H ALA 28 HN ALA 28 -7.559 -8.362 -8.362 191 HA ALA 28 HA ALA 28 -8.549 -8.775 -8.775 192 1HB ALA 28 HB2 ALA 28 -9.668 -7.675 -7.675 193 2HB ALA 28 HB1 ALA 28 -10.790 -8.644 -8.644 194 3HB ALA 28 HB3 ALA 28 -10.012 -7.233 -7.233 195 H VAL 29 HN VAL 29 -10.198 -10.477 -10.477 196 HA VAL 29 HA VAL 29 -10.221 -12.684 -12.684 197 HB VAL 29 HB VAL 29 -8.984 -12.787 -12.787 198 1HG1 VAL 29 HG13 VAL 29 -11.017 -14.193 -14.193 199 2HG1 VAL 29 HG12 VAL 29 -10.584 -15.102 -15.102 200 3HG1 VAL 29 HG11 VAL 29 -9.552 -15.176 -15.176 201 1HG2 VAL 29 HG22 VAL 29 -8.657 -14.143 -14.143 202 2HG2 VAL 29 HG21 VAL 29 -7.535 -13.053 -13.053 203 3HG2 VAL 29 HG23 VAL 29 -7.781 -14.687 -14.687 204 H ASP 30 HN ASP 30 -12.390 -12.836 -12.836 205 HA ASP 30 HA ASP 30 -14.276 -12.217 -12.217 206 1HB ASP 30 HB2 ASP 30 -15.839 -11.901 -11.901 207 2HB ASP 30 HB1 ASP 30 -14.387 -11.673 -11.673 208 HA PRO 31 HA PRO 31 -15.343 -16.363 -16.363 209 1HB PRO 31 HB2 PRO 31 -18.071 -16.525 -16.525 210 2HB PRO 31 HB1 PRO 31 -17.267 -15.662 -15.662 211 1HG PRO 31 HG2 PRO 31 -18.663 -14.553 -14.553 212 2HG PRO 31 HG1 PRO 31 -18.371 -13.804 -13.804 213 1HD PRO 31 HD2 PRO 31 -16.930 -13.307 -13.307 214 2HD PRO 31 HD1 PRO 31 -16.483 -12.758 -12.758 215 H ASP 32 HN ASP 32 -15.009 -15.748 -15.748 216 HA ASP 32 HA ASP 32 -16.278 -18.332 -18.332 217 1HB ASP 32 HB2 ASP 32 -16.409 -15.671 -15.671 218 2HB ASP 32 HB1 ASP 32 -15.761 -16.850 -16.850 219 H GLY 33 HN GLY 33 -13.470 -17.306 -17.306 220 1HA GLY 33 HA2 GLY 33 -11.274 -18.106 -18.106 221 2HA GLY 33 HA1 GLY 33 -11.922 -19.115 -19.115 222 H VAL 34 HN VAL 34 -12.607 -15.738 -15.738 223 HA VAL 34 HA VAL 34 -10.672 -14.980 -14.980 224 HB VAL 34 HB VAL 34 -13.491 -14.181 -14.181 225 1HG1 VAL 34 HG13 VAL 34 -11.578 -13.510 -13.510 226 2HG1 VAL 34 HG12 VAL 34 -11.232 -15.209 -15.209 227 3HG1 VAL 34 HG11 VAL 34 -12.738 -14.493 -14.493 228 1HG2 VAL 34 HG21 VAL 34 -12.473 -17.012 -17.012 229 2HG2 VAL 34 HG23 VAL 34 -13.919 -16.487 -16.487 230 3HG2 VAL 34 HG22 VAL 34 -13.847 -16.363 -16.363 231 H HIS 35 HN HIS 35 -10.129 -12.790 -12.790 232 HA HIS 35 HA HIS 35 -10.475 -11.355 -11.355 233 1HB HIS 35 HB2 HIS 35 -10.775 -9.941 -9.941 234 2HB HIS 35 HB1 HIS 35 -9.997 -9.340 -9.340 235 HD1 HIS 35 HD1 HIS 35 -7.557 -10.024 -10.024 236 HD2 HIS 35 HD2 HIS 35 -9.217 -11.905 -11.905 237 HE1 HIS 35 HE1 HIS 35 -5.643 -11.140 -11.140 238 H ARG 36 HN ARG 36 -12.829 -11.345 -11.345 239 HA ARG 36 HA ARG 36 -15.182 -11.381 -11.381 240 1HB ARG 36 HB2 ARG 36 -14.531 -9.388 -9.388 241 2HB ARG 36 HB1 ARG 36 -14.188 -8.513 -8.513 242 1HG ARG 36 HG2 ARG 36 -16.624 -8.995 -8.995 243 2HG ARG 36 HG1 ARG 36 -16.858 -9.462 -9.462 244 1HD ARG 36 HD2 ARG 36 -15.878 -7.200 -7.200 245 2HD ARG 36 HD1 ARG 36 -16.007 -6.759 -6.759 246 HE ARG 36 HE ARG 36 -18.145 -6.561 -6.561 247 1HH1 ARG 36 HH21 ARG 36 -17.939 -6.344 -6.344 248 2HH1 ARG 36 HH22 ARG 36 -19.336 -7.275 -7.275 249 1HH2 ARG 36 HH11 ARG 36 -19.732 -8.620 -8.620 250 2HH2 ARG 36 HH12 ARG 36 -20.348 -8.567 -8.567 251 H THR 37 HN THR 37 -15.032 -12.435 -12.435 252 HA THR 37 HA THR 37 -15.467 -12.406 -12.406 253 HB THR 37 HB THR 37 -17.423 -11.029 -11.029 254 HG1 THR 37 HG1 THR 37 -17.588 -10.023 -10.023 255 1HG2 THR 37 HG21 THR 37 -17.620 -13.155 -13.155 256 2HG2 THR 37 HG23 THR 37 -17.843 -12.096 -12.096 257 3HG2 THR 37 HG22 THR 37 -19.000 -12.056 -12.056 258 H ASP 38 HN ASP 38 -13.303 -11.592 -11.592 259 HA ASP 38 HA ASP 38 -12.360 -8.998 -8.998 260 1HB ASP 38 HB2 ASP 38 -11.482 -11.282 -11.282 261 2HB ASP 38 HB1 ASP 38 -11.844 -10.267 -10.267 262 H GLY 39 HN GLY 39 -12.022 -7.567 -7.567 263 1HA GLY 39 HA2 GLY 39 -13.069 -6.568 -6.568 264 2HA GLY 39 HA1 GLY 39 -14.592 -7.324 -7.324 265 H GLY 40 HN GLY 40 -14.644 -6.563 -6.563 266 1HA GLY 40 HA2 GLY 40 -14.250 -3.677 -3.677 267 2HA GLY 40 HA1 GLY 40 -15.943 -4.140 -4.140 268 H ASP 41 HN ASP 41 -13.054 -4.658 -4.658 269 HA ASP 41 HA ASP 41 -14.771 -5.783 -5.783 270 1HB ASP 41 HB2 ASP 41 -11.798 -5.336 -5.336 271 2HB ASP 41 HB1 ASP 41 -12.492 -5.682 -5.682 272 H GLY 42 HN GLY 42 -15.391 -4.627 -4.627 273 1HA GLY 42 HA2 GLY 42 -15.351 -1.740 -1.740 274 2HA GLY 42 HA1 GLY 42 -15.943 -2.676 -2.676 275 H PHE 43 HN PHE 43 -12.773 -2.166 -2.166 276 HA PHE 43 HA PHE 43 -11.539 -2.073 -2.073 277 1HB PHE 43 HB2 PHE 43 -10.758 -3.120 -3.120 278 2HB PHE 43 HB1 PHE 43 -9.614 -1.858 -1.858 279 HD1 PHE 43 HD2 PHE 43 -9.905 -2.193 -2.193 280 HD2 PHE 43 HD1 PHE 43 -9.334 -5.004 -5.004 281 HE1 PHE 43 HE2 PHE 43 -8.789 -3.773 -3.773 282 HE2 PHE 43 HE1 PHE 43 -8.215 -6.559 -6.559 283 HZ PHE 43 HZ PHE 43 -7.945 -5.946 -5.946 284 H VAL 44 HN VAL 44 -11.982 0.077 0.077 285 HA VAL 44 HA VAL 44 -10.961 2.202 2.202 286 HB VAL 44 HB VAL 44 -13.006 3.063 3.063 287 1HG1 VAL 44 HG12 VAL 44 -12.785 1.138 1.138 288 2HG1 VAL 44 HG11 VAL 44 -13.380 2.677 2.677 289 3HG1 VAL 44 HG13 VAL 44 -14.223 1.852 1.852 290 1HG2 VAL 44 HG23 VAL 44 -11.147 4.559 4.559 291 2HG2 VAL 44 HG22 VAL 44 -12.682 4.771 4.771 292 3HG2 VAL 44 HG21 VAL 44 -11.380 3.854 3.854 293 H VAL 45 HN VAL 45 -8.876 2.681 2.681 294 HA VAL 45 HA VAL 45 -7.855 2.579 2.579 295 HB VAL 45 HB VAL 45 -6.240 2.119 2.119 296 1HG1 VAL 45 HG13 VAL 45 -5.492 2.715 2.715 297 2HG1 VAL 45 HG12 VAL 45 -5.297 0.968 0.968 298 3HG1 VAL 45 HG11 VAL 45 -4.453 2.030 2.030 299 1HG2 VAL 45 HG23 VAL 45 -8.166 0.416 0.416 300 2HG2 VAL 45 HG22 VAL 45 -6.866 -0.047 -0.047 301 3HG2 VAL 45 HG21 VAL 45 -6.636 -0.176 -0.176 302 H THR 46 HN THR 46 -6.401 4.252 4.252 303 HA THR 46 HA THR 46 -5.679 6.296 6.296 304 HB THR 46 HB THR 46 -7.149 7.613 7.613 305 HG1 THR 46 HG1 THR 46 -9.073 6.802 6.802 306 1HG2 THR 46 HG22 THR 46 -6.952 7.718 7.718 307 2HG2 THR 46 HG21 THR 46 -8.216 8.618 8.618 308 3HG2 THR 46 HG23 THR 46 -6.519 8.951 8.951 309 H ILE 47 HN ILE 47 -3.880 7.285 7.285 310 HA ILE 47 HA ILE 47 -3.072 7.178 7.178 311 HB ILE 47 HB ILE 47 -1.467 6.673 6.673 312 1HG1 ILE 47 HG12 ILE 47 -2.082 5.283 5.283 313 2HG1 ILE 47 HG11 ILE 47 -1.720 4.607 4.607 314 1HG2 ILE 47 HG21 ILE 47 -0.366 7.715 7.715 315 2HG2 ILE 47 HG23 ILE 47 0.607 7.107 7.107 316 3HG2 ILE 47 HG22 ILE 47 -0.343 8.568 8.568 317 1HD1 ILE 47 HD13 ILE 47 0.697 5.466 5.466 318 2HD1 ILE 47 HD12 ILE 47 0.212 5.582 5.582 319 3HD1 ILE 47 HD11 ILE 47 0.181 4.024 4.024 320 H GLU 48 HN GLU 48 -1.741 9.025 9.025 321 HA GLU 48 HA GLU 48 -1.246 11.153 11.153 322 1HB GLU 48 HB2 GLU 48 -2.882 12.793 12.793 323 2HB GLU 48 HB1 GLU 48 -3.550 11.676 11.676 324 1HG GLU 48 HG2 GLU 48 -4.826 10.656 10.656 325 2HG GLU 48 HG1 GLU 48 -3.455 10.471 10.471 326 H GLY 49 HN GLY 49 -0.243 12.965 12.965 327 1HA GLY 49 HA2 GLY 49 0.254 13.101 13.101 328 2HA GLY 49 HA1 GLY 49 1.649 12.501 12.501 329 HA PRO 50 HA PRO 50 1.689 17.132 17.132 330 1HB PRO 50 HB2 PRO 50 4.259 17.390 17.390 331 2HB PRO 50 HB1 PRO 50 2.822 17.384 17.384 332 1HG PRO 50 HG2 PRO 50 4.836 15.219 15.219 333 2HG PRO 50 HG1 PRO 50 3.833 15.551 15.551 334 1HD PRO 50 HD2 PRO 50 3.334 13.542 13.542 335 2HD PRO 50 HD1 PRO 50 2.157 14.159 14.159 336 H ALA 51 HN ALA 51 1.716 16.228 16.228 337 HA ALA 51 HA ALA 51 4.249 17.041 17.041 338 1HB ALA 51 HB3 ALA 51 3.891 14.343 14.343 339 2HB ALA 51 HB2 ALA 51 3.377 14.479 14.479 340 3HB ALA 51 HB1 ALA 51 4.994 15.001 15.001 341 HA PRO 52 HA PRO 52 1.605 18.098 18.098 342 1HB PRO 52 HB2 PRO 52 3.012 17.291 17.291 343 2HB PRO 52 HB1 PRO 52 3.458 18.694 18.694 344 1HG PRO 52 HG2 PRO 52 4.737 16.002 16.002 345 2HG PRO 52 HG1 PRO 52 5.452 17.565 17.565 346 1HD PRO 52 HD2 PRO 52 4.673 15.552 15.552 347 2HD PRO 52 HD1 PRO 52 5.059 17.236 17.236 348 H VAL 53 HN VAL 53 2.994 14.904 14.904 349 HA VAL 53 HA VAL 53 0.383 14.076 14.076 350 HB VAL 53 HB VAL 53 2.883 12.389 12.389 351 1HG1 VAL 53 HG13 VAL 53 0.318 11.888 11.888 352 2HG1 VAL 53 HG12 VAL 53 1.221 12.272 12.272 353 3HG1 VAL 53 HG11 VAL 53 1.763 10.965 10.965 354 1HG2 VAL 53 HG22 VAL 53 3.236 14.735 14.735 355 2HG2 VAL 53 HG21 VAL 53 3.727 13.343 13.343 356 3HG2 VAL 53 HG23 VAL 53 2.208 14.166 14.166 357 H ASP 54 HN ASP 54 -0.629 14.137 14.137 358 HA ASP 54 HA ASP 54 0.345 12.043 12.043 359 1HB ASP 54 HB2 ASP 54 -1.852 14.106 14.106 360 2HB ASP 54 HB1 ASP 54 -1.521 12.891 12.891 361 HA PRO 55 HA PRO 55 -3.920 10.179 10.179 362 1HB PRO 55 HB2 PRO 55 -5.403 11.338 11.338 363 2HB PRO 55 HB1 PRO 55 -5.523 11.817 11.817 364 1HG PRO 55 HG2 PRO 55 -4.230 13.257 13.257 365 2HG PRO 55 HG1 PRO 55 -4.897 13.905 13.905 366 1HD PRO 55 HD2 PRO 55 -2.146 13.475 13.475 367 2HD PRO 55 HD1 PRO 55 -2.851 13.867 13.867 368 H VAL 56 HN VAL 56 -2.607 8.492 8.492 369 HA VAL 56 HA VAL 56 -2.651 8.548 8.548 370 HB VAL 56 HB VAL 56 -0.429 7.414 7.414 371 1HG1 VAL 56 HG12 VAL 56 -1.143 7.413 7.413 372 2HG1 VAL 56 HG11 VAL 56 0.379 8.279 8.279 373 3HG1 VAL 56 HG13 VAL 56 0.223 6.619 6.619 374 1HG2 VAL 56 HG23 VAL 56 -1.059 10.192 10.192 375 2HG2 VAL 56 HG22 VAL 56 0.257 9.532 9.532 376 3HG2 VAL 56 HG21 VAL 56 0.465 9.742 9.742 377 H MET 57 HN MET 57 -4.400 7.012 7.012 378 HA MET 57 HA MET 57 -3.487 4.292 4.292 379 1HB MET 57 HB2 MET 57 -5.507 3.704 3.704 380 2HB MET 57 HB1 MET 57 -4.990 5.235 5.235 381 1HG MET 57 HG2 MET 57 -6.894 5.193 5.193 382 2HG MET 57 HG1 MET 57 -7.488 4.963 4.963 383 1HE MET 57 HE1 MET 57 -8.916 6.500 6.500 384 2HE MET 57 HE3 MET 57 -8.488 7.697 7.697 385 3HE MET 57 HE2 MET 57 -8.774 8.202 8.202 386 H VAL 58 HN VAL 58 -4.045 2.731 2.731 387 HA VAL 58 HA VAL 58 -5.955 3.511 3.511 388 HB VAL 58 HB VAL 58 -3.784 1.879 1.879 389 1HG1 VAL 58 HG12 VAL 58 -5.582 3.457 3.457 390 2HG1 VAL 58 HG11 VAL 58 -4.377 4.712 4.712 391 3HG1 VAL 58 HG13 VAL 58 -3.979 3.326 3.326 392 1HG2 VAL 58 HG22 VAL 58 -2.563 3.197 3.197 393 2HG2 VAL 58 HG21 VAL 58 -1.956 3.425 3.425 394 3HG2 VAL 58 HG23 VAL 58 -2.981 4.655 4.655 395 H ASP 59 HN ASP 59 -6.885 1.665 1.665 396 HA ASP 59 HA ASP 59 -6.748 -0.863 -0.863 397 1HB ASP 59 HB2 ASP 59 -8.952 0.136 0.136 398 2HB ASP 59 HB1 ASP 59 -9.019 0.342 0.342 399 H ASN 60 HN ASN 60 -5.991 -2.633 -2.633 400 HA ASN 60 HA ASN 60 -5.428 -2.335 -2.335 401 1HB ASN 60 HB2 ASN 60 -4.381 -3.937 -3.937 402 2HB ASN 60 HB1 ASN 60 -4.627 -4.886 -4.886 403 1HD2 ASN 60 HD22 ASN 60 -1.253 -3.140 -3.140 404 2HD2 ASN 60 HD21 ASN 60 -2.005 -4.110 -4.110 405 H GLY 61 HN GLY 61 -8.019 -3.500 -3.500 406 1HA GLY 61 HA2 GLY 61 -9.941 -4.616 -4.616 407 2HA GLY 61 HA1 GLY 61 -9.218 -4.656 -4.656 408 H ASP 62 HN ASP 62 -7.166 -5.916 -5.916 409 HA ASP 62 HA ASP 62 -7.928 -8.691 -8.691 410 1HB ASP 62 HB2 ASP 62 -5.530 -9.259 -9.259 411 2HB ASP 62 HB1 ASP 62 -5.723 -8.115 -8.115 412 H GLY 63 HN GLY 63 -9.205 -7.420 -7.420 413 1HA GLY 63 HA2 GLY 63 -9.741 -7.838 -7.838 414 2HA GLY 63 HA1 GLY 63 -8.876 -9.360 -9.360 415 H THR 64 HN THR 64 -6.939 -6.685 -6.685 416 HA THR 64 HA THR 64 -5.886 -6.450 -6.450 417 HB THR 64 HB THR 64 -3.567 -6.612 -6.612 418 HG1 THR 64 HG1 THR 64 -4.518 -8.038 -8.038 419 1HG2 THR 64 HG23 THR 64 -5.413 -9.001 -9.001 420 2HG2 THR 64 HG22 THR 64 -3.655 -9.127 -9.127 421 3HG2 THR 64 HG21 THR 64 -4.446 -8.510 -8.510 422 H TYR 65 HN TYR 65 -4.804 -4.433 -4.433 423 HA TYR 65 HA TYR 65 -5.083 -2.478 -2.478 424 1HB TYR 65 HB2 TYR 65 -5.736 -2.099 -2.099 425 2HB TYR 65 HB1 TYR 65 -5.684 -0.786 -0.786 426 HD1 TYR 65 HD2 TYR 65 -7.094 -4.262 -4.262 427 HD2 TYR 65 HD1 TYR 65 -7.703 -0.195 -0.195 428 HE1 TYR 65 HE2 TYR 65 -9.346 -4.846 -4.846 429 HE2 TYR 65 HE1 TYR 65 -9.964 -0.776 -0.776 430 HH TYR 65 HH TYR 65 -11.645 -2.409 -2.409 431 H ASP 66 HN ASP 66 -3.604 -0.668 -0.668 432 HA ASP 66 HA ASP 66 -1.175 -1.158 -1.158 433 1HB ASP 66 HB2 ASP 66 -1.244 -0.141 -0.141 434 2HB ASP 66 HB1 ASP 66 0.202 -0.425 -0.425 435 H VAL 67 HN VAL 67 -0.772 0.569 0.569 436 HA VAL 67 HA VAL 67 -1.748 3.229 3.229 437 HB VAL 67 HB VAL 67 -2.415 3.754 3.754 438 1HG1 VAL 67 HG13 VAL 67 -3.264 1.300 1.300 439 2HG1 VAL 67 HG12 VAL 67 -3.139 1.034 1.034 440 3HG1 VAL 67 HG11 VAL 67 -4.165 2.326 2.326 441 1HG2 VAL 67 HG23 VAL 67 -0.447 1.671 1.671 442 2HG2 VAL 67 HG22 VAL 67 -0.741 3.254 3.254 443 3HG2 VAL 67 HG21 VAL 67 -1.827 1.909 1.909 444 H GLU 68 HN GLU 68 -0.227 5.003 5.003 445 HA GLU 68 HA GLU 68 2.329 4.387 4.387 446 1HB GLU 68 HB2 GLU 68 2.334 5.223 5.223 447 2HB GLU 68 HB1 GLU 68 3.729 4.796 4.796 448 1HG GLU 68 HG2 GLU 68 3.338 2.834 2.834 449 2HG GLU 68 HG1 GLU 68 2.526 2.493 2.493 450 H PHE 69 HN PHE 69 3.145 6.156 6.156 451 HA PHE 69 HA PHE 69 2.621 8.803 8.803 452 1HB PHE 69 HB2 PHE 69 2.181 9.895 9.895 453 2HB PHE 69 HB1 PHE 69 1.055 8.550 8.550 454 HD1 PHE 69 HD2 PHE 69 2.080 6.230 6.230 455 HD2 PHE 69 HD1 PHE 69 3.284 10.162 10.162 456 HE1 PHE 69 HE2 PHE 69 2.942 5.310 5.310 457 HE2 PHE 69 HE1 PHE 69 4.146 9.235 9.235 458 HZ PHE 69 HZ PHE 69 3.958 6.791 6.791 459 H GLU 70 HN GLU 70 4.397 10.382 10.382 460 HA GLU 70 HA GLU 70 6.763 9.184 9.184 461 1HB GLU 70 HB2 GLU 70 7.033 8.428 8.428 462 2HB GLU 70 HB1 GLU 70 6.737 10.055 10.055 463 1HG GLU 70 HG2 GLU 70 8.758 10.866 10.866 464 2HG GLU 70 HG1 GLU 70 9.055 9.240 9.240 465 HA PRO 71 HA PRO 71 6.567 13.649 13.649 466 1HB PRO 71 HB2 PRO 71 7.447 13.340 13.340 467 2HB PRO 71 HB1 PRO 71 5.750 13.173 13.173 468 1HG PRO 71 HG2 PRO 71 7.706 11.049 11.049 469 2HG PRO 71 HG1 PRO 71 5.940 11.029 11.029 470 1HD PRO 71 HD2 PRO 71 7.514 9.790 9.790 471 2HD PRO 71 HD1 PRO 71 5.753 10.022 10.022 472 H LYS 72 HN LYS 72 8.371 15.068 15.068 473 HA LYS 72 HA LYS 72 11.118 13.978 13.978 474 1HB LYS 72 HB2 LYS 72 10.225 16.703 16.703 475 2HB LYS 72 HB1 LYS 72 11.737 15.874 15.874 476 1HG LYS 72 HG2 LYS 72 9.832 14.054 14.054 477 2HG LYS 72 HG1 LYS 72 9.110 15.603 15.603 478 1HD LYS 72 HD2 LYS 72 10.811 16.133 16.133 479 2HD LYS 72 HD1 LYS 72 12.004 15.163 15.163 480 1HE LYS 72 HE2 LYS 72 10.172 13.263 13.263 481 2HE LYS 72 HE1 LYS 72 10.168 14.382 14.382 482 1HZ LYS 72 HZ3 LYS 72 12.713 13.485 13.485 483 2HZ LYS 72 HZ2 LYS 72 11.899 12.503 12.503 484 3HZ LYS 72 HZ1 LYS 72 12.408 14.062 14.062 485 H GLU 73 HN GLU 73 9.601 14.664 14.664 486 HA GLU 73 HA GLU 73 11.713 16.337 16.337 487 1HB GLU 73 HB2 GLU 73 10.179 17.976 17.976 488 2HB GLU 73 HB1 GLU 73 9.957 17.947 17.947 489 1HG GLU 73 HG2 GLU 73 7.862 17.040 17.040 490 2HG GLU 73 HG1 GLU 73 8.268 16.062 16.062 491 H ALA 74 HN ALA 74 10.350 16.747 16.747 492 HA ALA 74 HA ALA 74 10.341 13.976 13.976 493 1HB ALA 74 HB3 ALA 74 10.240 16.683 16.683 494 2HB ALA 74 HB2 ALA 74 10.165 15.146 15.146 495 3HB ALA 74 HB1 ALA 74 11.610 15.572 15.572 496 H GLY 75 HN GLY 75 8.389 12.934 12.934 497 1HA GLY 75 HA2 GLY 75 5.984 14.413 14.413 498 2HA GLY 75 HA1 GLY 75 5.979 13.866 13.866 499 H ASP 76 HN ASP 76 4.108 12.998 12.998 500 HA ASP 76 HA ASP 76 4.881 10.138 10.138 501 1HB ASP 76 HB2 ASP 76 2.703 10.322 10.322 502 2HB ASP 76 HB1 ASP 76 4.260 10.864 10.864 503 H TYR 77 HN TYR 77 3.181 8.594 8.594 504 HA TYR 77 HA TYR 77 1.473 9.642 9.642 505 1HB TYR 77 HB2 TYR 77 2.165 6.749 6.749 506 2HB TYR 77 HB1 TYR 77 1.695 7.613 7.613 507 HD1 TYR 77 HD2 TYR 77 3.494 10.008 10.008 508 HD2 TYR 77 HD1 TYR 77 4.203 5.803 5.803 509 HE1 TYR 77 HE2 TYR 77 5.848 10.334 10.334 510 HE2 TYR 77 HE1 TYR 77 6.553 6.116 6.116 511 HH TYR 77 HH TYR 77 7.754 8.208 8.208 512 H VAL 78 HN VAL 78 -0.622 9.236 9.236 513 HA VAL 78 HA VAL 78 -1.736 7.514 7.514 514 HB VAL 78 HB VAL 78 -2.681 9.636 9.636 515 1HG1 VAL 78 HG11 VAL 78 -2.456 9.851 9.851 516 2HG1 VAL 78 HG13 VAL 78 -3.734 10.779 10.779 517 3HG1 VAL 78 HG12 VAL 78 -2.050 11.034 11.034 518 1HG2 VAL 78 HG21 VAL 78 -4.325 7.708 7.708 519 2HG2 VAL 78 HG23 VAL 78 -4.987 9.342 9.342 520 3HG2 VAL 78 HG22 VAL 78 -4.646 8.487 8.487 521 H ILE 79 HN ILE 79 -2.692 5.693 5.693 522 HA ILE 79 HA ILE 79 -3.057 5.650 5.650 523 HB ILE 79 HB ILE 79 -1.182 4.348 4.348 524 1HG1 ILE 79 HG12 ILE 79 -2.685 1.943 1.943 525 2HG1 ILE 79 HG11 ILE 79 -3.435 3.112 3.112 526 1HG2 ILE 79 HG22 ILE 79 -2.693 3.883 3.883 527 2HG2 ILE 79 HG21 ILE 79 -2.230 2.328 2.328 528 3HG2 ILE 79 HG23 ILE 79 -0.997 3.527 3.527 529 1HD1 ILE 79 HD12 ILE 79 -0.491 3.036 3.036 530 2HD1 ILE 79 HD11 ILE 79 -1.287 1.566 1.566 531 3HD1 ILE 79 HD13 ILE 79 -1.662 3.113 3.113 532 H ASN 80 HN ASN 80 -4.694 4.298 4.298 533 HA ASN 80 HA ASN 80 -6.868 3.475 3.475 534 1HB ASN 80 HB2 ASN 80 -7.449 5.438 5.438 535 2HB ASN 80 HB1 ASN 80 -8.497 4.941 4.941 536 1HD2 ASN 80 HD22 ASN 80 -5.970 8.019 8.019 537 2HD2 ASN 80 HD21 ASN 80 -6.183 7.295 7.295 538 H LEU 81 HN LEU 81 -7.328 1.517 1.517 539 HA LEU 81 HA LEU 81 -7.755 1.055 1.055 540 1HB LEU 81 HB2 LEU 81 -5.680 -0.033 -0.033 541 2HB LEU 81 HB1 LEU 81 -6.029 -0.538 -0.538 542 HG LEU 81 HG LEU 81 -6.066 -2.302 -2.302 543 1HD1 LEU 81 HD12 LEU 81 -7.204 -2.138 -2.138 544 2HD1 LEU 81 HD11 LEU 81 -8.598 -2.528 -2.528 545 3HD1 LEU 81 HD13 LEU 81 -7.188 -3.586 -3.586 546 1HD2 LEU 81 HD21 LEU 81 -8.060 -0.531 -0.531 547 2HD2 LEU 81 HD23 LEU 81 -7.615 -2.098 -2.098 548 3HD2 LEU 81 HD22 LEU 81 -8.893 -1.979 -1.979 549 H THR 82 HN THR 82 -9.822 0.520 0.520 550 HA THR 82 HA THR 82 -11.132 -0.971 -0.971 551 HB THR 82 HB THR 82 -13.193 0.393 0.393 552 HG1 THR 82 HG1 THR 82 -11.428 1.232 1.232 553 1HG2 THR 82 HG21 THR 82 -10.997 1.009 1.009 554 2HG2 THR 82 HG23 THR 82 -11.835 2.457 2.457 555 3HG2 THR 82 HG22 THR 82 -12.734 1.172 1.172 556 H LEU 83 HN LEU 83 -12.388 -2.695 -2.695 557 HA LEU 83 HA LEU 83 -13.131 -3.023 -3.023 558 1HB LEU 83 HB2 LEU 83 -11.033 -4.337 -4.337 559 2HB LEU 83 HB1 LEU 83 -12.030 -5.309 -5.309 560 HG LEU 83 HG LEU 83 -11.628 -6.141 -6.141 561 1HD1 LEU 83 HD11 LEU 83 -13.338 -6.923 -6.923 562 2HD1 LEU 83 HD13 LEU 83 -14.520 -6.021 -6.021 563 3HD1 LEU 83 HD12 LEU 83 -13.639 -7.361 -7.361 564 1HD2 LEU 83 HD21 LEU 83 -12.304 -3.906 -3.906 565 2HD2 LEU 83 HD23 LEU 83 -13.171 -5.288 -5.288 566 3HD2 LEU 83 HD22 LEU 83 -13.954 -4.247 -4.247 567 H ASP 84 HN ASP 84 -15.185 -2.278 -2.278 568 HA ASP 84 HA ASP 84 -17.323 -3.772 -3.772 569 1HB ASP 84 HB2 ASP 84 -15.811 -4.652 -4.652 570 2HB ASP 84 HB1 ASP 84 -17.574 -4.641 -4.641 571 H GLY 85 HN GLY 85 -15.474 -1.594 -1.594 572 1HA GLY 85 HA2 GLY 85 -16.773 0.650 0.650 573 2HA GLY 85 HA1 GLY 85 -17.934 -0.314 -0.314 574 H ASP 86 HN ASP 86 -14.917 -1.618 -1.618 575 HA ASP 86 HA ASP 86 -14.542 0.236 0.236 576 1HB ASP 86 HB2 ASP 86 -13.712 -1.912 -1.912 577 2HB ASP 86 HB1 ASP 86 -15.455 -1.729 -1.729 578 H ASN 87 HN ASN 87 -12.177 -0.184 -0.184 579 HA ASN 87 HA ASN 87 -10.391 -0.300 -0.300 580 1HB ASN 87 HB2 ASN 87 -8.747 0.760 0.760 581 2HB ASN 87 HB1 ASN 87 -10.030 1.766 1.766 582 1HD2 ASN 87 HD22 ASN 87 -10.893 2.546 2.546 583 2HD2 ASN 87 HD21 ASN 87 -10.321 3.131 3.131 584 H VAL 88 HN VAL 88 -8.402 -1.523 -1.523 585 HA VAL 88 HA VAL 88 -8.723 -4.016 -4.016 586 HB VAL 88 HB VAL 88 -6.557 -2.737 -2.737 587 1HG1 VAL 88 HG11 VAL 88 -5.375 -3.826 -3.826 588 2HG1 VAL 88 HG13 VAL 88 -6.195 -5.335 -5.335 589 3HG1 VAL 88 HG12 VAL 88 -5.058 -4.626 -4.626 590 1HG2 VAL 88 HG23 VAL 88 -8.431 -3.960 -3.960 591 2HG2 VAL 88 HG22 VAL 88 -6.903 -4.796 -4.796 592 3HG2 VAL 88 HG21 VAL 88 -8.024 -5.388 -5.388 593 H ASN 89 HN ASN 89 -6.831 -4.816 -4.816 594 HA ASN 89 HA ASN 89 -6.851 -2.985 -2.985 595 1HB ASN 89 HB2 ASN 89 -7.093 -5.548 -5.548 596 2HB ASN 89 HB1 ASN 89 -5.338 -5.587 -5.587 597 1HD2 ASN 89 HD22 ASN 89 -6.406 -5.408 -5.408 598 2HD2 ASN 89 HD21 ASN 89 -6.949 -6.391 -6.391 599 H GLY 90 HN GLY 90 -5.125 -2.382 -2.382 600 1HA GLY 90 HA2 GLY 90 -2.751 -1.563 -1.563 601 2HA GLY 90 HA1 GLY 90 -2.445 -2.545 -2.545 602 H PHE 91 HN PHE 91 -5.181 -0.508 -0.508 603 HA PHE 91 HA PHE 91 -3.733 1.335 1.335 604 1HB PHE 91 HB2 PHE 91 -6.246 -0.164 -0.164 605 2HB PHE 91 HB1 PHE 91 -6.336 1.507 1.507 606 HD1 PHE 91 HD1 PHE 91 -4.513 -1.708 -1.708 607 HD2 PHE 91 HD2 PHE 91 -5.156 2.206 2.206 608 HE1 PHE 91 HE1 PHE 91 -3.208 -2.275 -2.275 609 HE2 PHE 91 HE2 PHE 91 -3.889 1.674 1.674 610 HZ PHE 91 HZ PHE 91 -2.911 -0.595 -0.595 611 HA PRO 92 HA PRO 92 -6.638 4.235 4.235 612 1HB PRO 92 HB2 PRO 92 -7.619 3.430 3.430 613 2HB PRO 92 HB1 PRO 92 -8.518 3.295 3.295 614 1HG PRO 92 HG2 PRO 92 -7.160 1.158 1.158 615 2HG PRO 92 HG1 PRO 92 -8.539 1.034 1.034 616 1HD PRO 92 HD2 PRO 92 -5.884 0.317 0.317 617 2HD PRO 92 HD1 PRO 92 -7.178 0.542 0.542 618 H LYS 93 HN LYS 93 -3.901 2.851 2.851 619 HA LYS 93 HA LYS 93 -3.184 4.221 4.221 620 1HB LYS 93 HB2 LYS 93 -2.629 1.752 1.752 621 2HB LYS 93 HB1 LYS 93 -1.498 2.303 2.303 622 1HG LYS 93 HG2 LYS 93 -0.146 3.439 3.439 623 2HG LYS 93 HG1 LYS 93 -1.415 3.434 3.434 624 1HD LYS 93 HD2 LYS 93 -0.446 0.793 0.793 625 2HD LYS 93 HD1 LYS 93 0.607 1.694 1.694 626 1HE LYS 93 HE2 LYS 93 -1.179 1.844 1.844 627 2HE LYS 93 HE1 LYS 93 -2.298 1.037 1.037 628 1HZ LYS 93 HZ3 LYS 93 0.233 -0.291 -0.291 629 2HZ LYS 93 HZ2 LYS 93 -0.991 -0.295 -0.295 630 3HZ LYS 93 HZ1 LYS 93 -1.282 -0.966 -0.966 631 H THR 94 HN THR 94 -0.902 5.140 5.140 632 HA THR 94 HA THR 94 -0.509 6.527 6.527 633 HB THR 94 HB THR 94 -0.016 7.728 7.728 634 HG1 THR 94 HG1 THR 94 -2.273 7.232 7.232 635 1HG2 THR 94 HG21 THR 94 1.189 8.515 8.515 636 2HG2 THR 94 HG23 THR 94 -0.388 9.134 9.134 637 3HG2 THR 94 HG22 THR 94 0.376 9.737 9.737 638 H VAL 95 HN VAL 95 1.513 6.357 6.357 639 HA VAL 95 HA VAL 95 3.517 5.132 5.132 640 HB VAL 95 HB VAL 95 3.239 5.212 5.212 641 1HG1 VAL 95 HG12 VAL 95 5.780 4.961 4.961 642 2HG1 VAL 95 HG11 VAL 95 5.569 4.049 4.049 643 3HG1 VAL 95 HG13 VAL 95 5.501 5.808 5.808 644 1HG2 VAL 95 HG22 VAL 95 2.705 3.347 3.347 645 2HG2 VAL 95 HG21 VAL 95 2.943 2.987 2.987 646 3HG2 VAL 95 HG23 VAL 95 4.295 2.853 2.853 647 H THR 96 HN THR 96 5.699 6.128 6.128 648 HA THR 96 HA THR 96 5.497 9.043 9.043 649 HB THR 96 HB THR 96 7.067 7.865 7.865 650 HG1 THR 96 HG1 THR 96 5.025 8.946 8.946 651 1HG2 THR 96 HG22 THR 96 6.014 10.633 10.633 652 2HG2 THR 96 HG21 THR 96 6.823 10.190 10.190 653 3HG2 THR 96 HG23 THR 96 7.703 10.125 10.125 654 H VAL 97 HN VAL 97 7.175 10.109 10.109 655 HA VAL 97 HA VAL 97 9.766 8.720 8.720 656 HB VAL 97 HB VAL 97 7.974 10.033 10.033 657 1HG1 VAL 97 HG13 VAL 97 10.995 9.962 9.962 658 2HG1 VAL 97 HG12 VAL 97 10.005 10.226 10.226 659 3HG1 VAL 97 HG11 VAL 97 9.965 11.390 11.390 660 1HG2 VAL 97 HG21 VAL 97 9.650 7.567 7.567 661 2HG2 VAL 97 HG23 VAL 97 7.997 7.720 7.720 662 3HG2 VAL 97 HG22 VAL 97 9.344 8.206 8.206 663 H LYS 98 HN LYS 98 11.459 10.048 10.048 664 HA LYS 98 HA LYS 98 10.752 12.911 12.911 665 1HB LYS 98 HB2 LYS 98 12.894 12.165 12.165 666 2HB LYS 98 HB1 LYS 98 11.266 12.683 12.683 667 1HG LYS 98 HG2 LYS 98 10.440 10.449 10.449 668 2HG LYS 98 HG1 LYS 98 11.872 9.836 9.836 669 1HD LYS 98 HD2 LYS 98 13.224 10.056 10.056 670 2HD LYS 98 HD1 LYS 98 12.103 11.178 11.178 671 1HE LYS 98 HE2 LYS 98 10.689 8.755 8.755 672 2HE LYS 98 HE1 LYS 98 12.203 8.334 8.334 673 1HZ LYS 98 HZ3 LYS 98 11.031 10.617 10.617 674 2HZ LYS 98 HZ2 LYS 98 9.922 9.329 9.329 675 3HZ LYS 98 HZ1 LYS 98 11.445 9.130 9.130 676 HA PRO 99 HA PRO 99 15.342 13.199 13.199 677 1HB PRO 99 HB2 PRO 99 16.801 10.906 10.906 678 2HB PRO 99 HB1 PRO 99 16.620 11.699 11.699 679 1HG PRO 99 HG2 PRO 99 15.329 9.207 9.207 680 2HG PRO 99 HG1 PRO 99 15.705 9.682 9.682 681 1HD PRO 99 HD2 PRO 99 13.167 9.802 9.802 682 2HD PRO 99 HD1 PRO 99 13.631 10.599 10.599 683 H ALA 100 HN ALA 100 13.833 13.621 13.621 684 HA ALA 100 HA ALA 100 14.224 11.753 11.753 685 1HB ALA 100 HB2 ALA 100 12.215 13.463 13.463 686 2HB ALA 100 HB1 ALA 100 13.230 14.529 14.529 687 3HB ALA 100 HB3 ALA 100 12.670 13.000 13.000 Start of MODEL 17 1 1H ALA 1 HT2 ALA 1 -18.501 -11.295 -11.295 2 2H ALA 1 HT1 ALA 1 -19.549 -11.374 -11.374 3 3H ALA 1 HT3 ALA 1 -18.401 -12.597 -12.597 4 HA ALA 1 HA ALA 1 -17.589 -11.202 -11.202 5 1HB ALA 1 HB3 ALA 1 -19.022 -9.228 -9.228 6 2HB ALA 1 HB2 ALA 1 -17.359 -8.780 -8.780 7 3HB ALA 1 HB1 ALA 1 -17.867 -8.954 -8.954 8 H ASP 2 HN ASP 2 -15.666 -9.187 -9.187 9 HA ASP 2 HA ASP 2 -13.829 -11.047 -11.047 10 1HB ASP 2 HB2 ASP 2 -13.078 -10.672 -10.672 11 2HB ASP 2 HB1 ASP 2 -13.195 -8.927 -8.927 12 HA PRO 3 HA PRO 3 -14.166 -6.968 -6.968 13 1HB PRO 3 HB2 PRO 3 -15.875 -7.737 -7.737 14 2HB PRO 3 HB1 PRO 3 -16.429 -6.944 -6.944 15 1HG PRO 3 HG2 PRO 3 -16.634 -9.822 -9.822 16 2HG PRO 3 HG1 PRO 3 -17.701 -8.862 -8.862 17 1HD PRO 3 HD2 PRO 3 -15.770 -10.688 -10.688 18 2HD PRO 3 HD1 PRO 3 -16.533 -9.402 -9.402 19 H GLU 4 HN GLU 4 -13.321 -10.170 -10.170 20 HA GLU 4 HA GLU 4 -11.787 -9.709 -9.709 21 1HB GLU 4 HB2 GLU 4 -13.979 -11.460 -11.460 22 2HB GLU 4 HB1 GLU 4 -12.527 -12.455 -12.455 23 1HG GLU 4 HG2 GLU 4 -11.939 -11.004 -11.004 24 2HG GLU 4 HG1 GLU 4 -13.624 -10.486 -10.486 25 H LYS 5 HN LYS 5 -11.353 -10.091 -10.091 26 HA LYS 5 HA LYS 5 -8.907 -11.726 -11.726 27 1HB LYS 5 HB2 LYS 5 -11.271 -12.623 -12.623 28 2HB LYS 5 HB1 LYS 5 -9.952 -12.426 -12.426 29 1HG LYS 5 HG2 LYS 5 -9.529 -14.583 -14.583 30 2HG LYS 5 HG1 LYS 5 -8.559 -13.663 -13.663 31 1HD LYS 5 HD2 LYS 5 -9.745 -14.657 -14.657 32 2HD LYS 5 HD1 LYS 5 -11.126 -13.693 -13.693 33 1HE LYS 5 HE2 LYS 5 -12.172 -15.507 -15.507 34 2HE LYS 5 HE1 LYS 5 -10.735 -15.989 -15.989 35 1HZ LYS 5 HZ3 LYS 5 -11.054 -16.445 -16.445 36 2HZ LYS 5 HZ2 LYS 5 -11.488 -17.594 -17.594 37 3HZ LYS 5 HZ1 LYS 5 -9.871 -17.096 -17.096 38 H SER 6 HN SER 6 -9.433 -8.917 -8.917 39 HA SER 6 HA SER 6 -8.277 -8.420 -8.420 40 1HB SER 6 HB2 SER 6 -9.720 -6.448 -6.448 41 2HB SER 6 HB1 SER 6 -9.229 -6.203 -6.203 42 HG SER 6 HG SER 6 -10.949 -7.226 -7.226 43 H TYR 7 HN TYR 7 -6.131 -8.080 -8.080 44 HA TYR 7 HA TYR 7 -5.172 -6.392 -6.392 45 1HB TYR 7 HB2 TYR 7 -3.042 -8.025 -8.025 46 2HB TYR 7 HB1 TYR 7 -4.335 -8.357 -8.357 47 HD1 TYR 7 HD2 TYR 7 -6.177 -9.930 -9.930 48 HD2 TYR 7 HD1 TYR 7 -2.759 -9.355 -9.355 49 HE1 TYR 7 HE2 TYR 7 -6.739 -12.011 -12.011 50 HE2 TYR 7 HE1 TYR 7 -3.320 -11.433 -11.433 51 HH TYR 7 HH TYR 7 -4.575 -13.339 -13.339 52 H ALA 8 HN ALA 8 -3.430 -5.039 -5.039 53 HA ALA 8 HA ALA 8 -2.549 -4.982 -4.982 54 1HB ALA 8 HB3 ALA 8 -4.031 -3.021 -3.021 55 2HB ALA 8 HB2 ALA 8 -2.391 -2.465 -2.465 56 3HB ALA 8 HB1 ALA 8 -2.899 -2.733 -2.733 57 H GLU 9 HN GLU 9 -0.345 -5.092 -5.092 58 HA GLU 9 HA GLU 9 1.386 -4.208 -4.208 59 1HB GLU 9 HB2 GLU 9 1.277 -7.045 -7.045 60 2HB GLU 9 HB1 GLU 9 2.664 -6.409 -6.409 61 1HG GLU 9 HG2 GLU 9 1.025 -5.727 -5.727 62 2HG GLU 9 HG1 GLU 9 -0.180 -6.701 -6.701 63 H GLY 10 HN GLY 10 3.343 -3.453 -3.453 64 1HA GLY 10 HA2 GLY 10 4.451 -4.207 -4.207 65 2HA GLY 10 HA1 GLY 10 3.774 -2.585 -2.585 66 HA PRO 11 HA PRO 11 8.098 -2.441 -2.441 67 1HB PRO 11 HB2 PRO 11 9.318 -1.320 -1.320 68 2HB PRO 11 HB1 PRO 11 9.264 -3.067 -3.067 69 1HG PRO 11 HG2 PRO 11 7.686 -1.440 -1.440 70 2HG PRO 11 HG1 PRO 11 8.183 -3.137 -3.137 71 1HD PRO 11 HD2 PRO 11 5.611 -2.240 -2.240 72 2HD PRO 11 HD1 PRO 11 6.248 -3.868 -3.868 73 H GLY 12 HN GLY 12 5.559 -0.616 -0.616 74 1HA GLY 12 HA2 GLY 12 6.880 1.991 1.991 75 2HA GLY 12 HA1 GLY 12 5.437 1.816 1.816 76 H LEU 13 HN LEU 13 5.595 3.440 3.440 77 HA LEU 13 HA LEU 13 3.924 3.926 3.926 78 1HB LEU 13 HB2 LEU 13 2.052 2.713 2.713 79 2HB LEU 13 HB1 LEU 13 2.780 1.822 1.822 80 HG LEU 13 HG LEU 13 3.685 0.671 0.671 81 1HD1 LEU 13 HD11 LEU 13 0.697 0.981 0.981 82 2HD1 LEU 13 HD13 LEU 13 1.528 -0.042 -0.042 83 3HD1 LEU 13 HD12 LEU 13 1.703 1.711 1.711 84 1HD2 LEU 13 HD23 LEU 13 2.328 -0.116 -0.116 85 2HD2 LEU 13 HD22 LEU 13 3.574 -0.963 -0.963 86 3HD2 LEU 13 HD21 LEU 13 1.883 -1.094 -1.094 87 H ASP 14 HN ASP 14 6.426 1.759 1.759 88 HA ASP 14 HA ASP 14 6.253 0.941 0.941 89 1HB ASP 14 HB2 ASP 14 8.838 1.460 1.460 90 2HB ASP 14 HB1 ASP 14 8.457 0.194 0.194 91 H GLY 15 HN GLY 15 6.955 3.843 3.843 92 1HA GLY 15 HA2 GLY 15 7.321 6.001 6.001 93 2HA GLY 15 HA1 GLY 15 7.379 5.272 5.272 94 H GLY 16 HN GLY 16 9.225 5.818 5.818 95 1HA GLY 16 HA2 GLY 16 11.537 5.966 5.966 96 2HA GLY 16 HA1 GLY 16 11.730 4.814 4.814 97 H GLU 17 HN GLU 17 11.313 5.916 5.916 98 HA GLU 17 HA GLU 17 12.681 8.574 8.574 99 1HB GLU 17 HB2 GLU 17 13.168 6.185 6.185 100 2HB GLU 17 HB1 GLU 17 13.624 7.785 7.785 101 1HG GLU 17 HG2 GLU 17 15.533 7.543 7.543 102 2HG GLU 17 HG1 GLU 17 14.544 7.658 7.658 103 H CYS 18 HN CYS 18 12.018 10.104 10.104 104 HA CYS 18 HA CYS 18 9.433 9.720 9.720 105 1HB CYS 18 HB2 CYS 18 11.102 12.107 12.107 106 2HB CYS 18 HB1 CYS 18 10.036 12.234 12.234 107 HG CYS 18 HG CYS 18 9.050 12.602 12.602 108 H PHE 19 HN PHE 19 12.792 9.818 9.818 109 HA PHE 19 HA PHE 19 12.282 10.461 10.461 110 1HB PHE 19 HB2 PHE 19 14.776 9.992 9.992 111 2HB PHE 19 HB1 PHE 19 14.827 10.065 10.065 112 HD1 PHE 19 HD2 PHE 19 13.014 11.973 11.973 113 HD2 PHE 19 HD1 PHE 19 15.330 12.054 12.054 114 HE1 PHE 19 HE2 PHE 19 12.755 14.432 14.432 115 HE2 PHE 19 HE1 PHE 19 15.058 14.520 14.520 116 HZ PHE 19 HZ PHE 19 13.747 15.688 15.688 117 H GLN 20 HN GLN 20 11.596 7.862 7.862 118 HA GLN 20 HA GLN 20 12.784 5.933 5.933 119 1HB GLN 20 HB2 GLN 20 12.301 5.726 5.726 120 2HB GLN 20 HB1 GLN 20 10.921 4.888 4.888 121 1HG GLN 20 HG2 GLN 20 13.296 4.132 4.132 122 2HG GLN 20 HG1 GLN 20 13.574 3.916 3.916 123 1HE2 GLN 20 HE22 GLN 20 10.577 1.706 1.706 124 2HE2 GLN 20 HE21 GLN 20 11.062 3.153 3.153 125 HA PRO 21 HA PRO 21 9.027 6.186 6.186 126 1HB PRO 21 HB2 PRO 21 9.077 3.700 3.700 127 2HB PRO 21 HB1 PRO 21 10.052 5.080 5.080 128 1HG PRO 21 HG2 PRO 21 10.899 2.676 2.676 129 2HG PRO 21 HG1 PRO 21 11.832 3.650 3.650 130 1HD PRO 21 HD2 PRO 21 12.059 3.845 3.845 131 2HD PRO 21 HD1 PRO 21 12.541 5.118 5.118 132 H SER 22 HN SER 22 6.944 5.896 5.896 133 HA SER 22 HA SER 22 6.595 3.620 3.620 134 1HB SER 22 HB2 SER 22 6.005 6.296 6.296 135 2HB SER 22 HB1 SER 22 4.452 5.572 5.572 136 HG SER 22 HG SER 22 5.588 5.628 5.628 137 H LYS 23 HN LYS 23 5.763 1.864 1.864 138 HA LYS 23 HA LYS 23 3.299 2.224 2.224 139 1HB LYS 23 HB2 LYS 23 5.488 0.499 0.499 140 2HB LYS 23 HB1 LYS 23 4.097 1.194 1.194 141 1HG LYS 23 HG2 LYS 23 5.050 3.422 3.422 142 2HG LYS 23 HG1 LYS 23 6.395 2.821 2.821 143 1HD LYS 23 HD2 LYS 23 5.783 2.200 2.200 144 2HD LYS 23 HD1 LYS 23 7.206 3.018 3.018 145 1HE LYS 23 HE2 LYS 23 6.437 0.112 0.112 146 2HE LYS 23 HE1 LYS 23 7.835 0.737 0.737 147 1HZ LYS 23 HZ3 LYS 23 8.330 1.859 1.859 148 2HZ LYS 23 HZ2 LYS 23 7.353 0.611 0.611 149 3HZ LYS 23 HZ1 LYS 23 8.759 0.240 0.240 150 H PHE 24 HN PHE 24 1.917 0.575 0.575 151 HA PHE 24 HA PHE 24 2.988 -2.008 -2.008 152 1HB PHE 24 HB2 PHE 24 0.662 -1.563 -1.563 153 2HB PHE 24 HB1 PHE 24 2.320 -1.709 -1.709 154 HD1 PHE 24 HD1 PHE 24 3.800 0.427 0.427 155 HD2 PHE 24 HD2 PHE 24 -0.482 0.417 0.417 156 HE1 PHE 24 HE1 PHE 24 3.832 2.836 2.836 157 HE2 PHE 24 HE2 PHE 24 -0.454 2.833 2.833 158 HZ PHE 24 HZ PHE 24 1.710 4.029 4.029 159 H LYS 25 HN LYS 25 1.347 -3.748 -3.748 160 HA LYS 25 HA LYS 25 -0.739 -3.039 -3.039 161 1HB LYS 25 HB2 LYS 25 0.915 -5.538 -5.538 162 2HB LYS 25 HB1 LYS 25 -0.577 -5.554 -5.554 163 1HG LYS 25 HG2 LYS 25 0.443 -4.609 -4.609 164 2HG LYS 25 HG1 LYS 25 1.068 -3.299 -3.299 165 1HD LYS 25 HD2 LYS 25 3.037 -4.326 -4.326 166 2HD LYS 25 HD1 LYS 25 2.779 -5.106 -5.106 167 1HE LYS 25 HE2 LYS 25 1.585 -6.311 -6.311 168 2HE LYS 25 HE1 LYS 25 3.285 -6.591 -6.591 169 1HZ LYS 25 HZ1 LYS 25 1.943 -6.977 -6.977 170 2HZ LYS 25 HZ3 LYS 25 0.960 -7.718 -7.718 171 3HZ LYS 25 HZ2 LYS 25 2.586 -8.184 -8.184 172 H ILE 26 HN ILE 26 -2.841 -3.716 -3.716 173 HA ILE 26 HA ILE 26 -3.235 -4.846 -4.846 174 HB ILE 26 HB ILE 26 -5.188 -3.360 -3.360 175 1HG1 ILE 26 HG12 ILE 26 -4.418 -2.115 -2.115 176 2HG1 ILE 26 HG11 ILE 26 -3.018 -2.377 -2.377 177 1HG2 ILE 26 HG21 ILE 26 -6.072 -5.055 -5.055 178 2HG2 ILE 26 HG23 ILE 26 -5.419 -3.981 -3.981 179 3HG2 ILE 26 HG22 ILE 26 -6.675 -3.405 -3.405 180 1HD1 ILE 26 HD12 ILE 26 -5.494 -1.244 -1.244 181 2HD1 ILE 26 HD11 ILE 26 -4.501 -0.189 -0.189 182 3HD1 ILE 26 HD13 ILE 26 -3.804 -0.963 -0.963 183 H HIS 27 HN HIS 27 -4.273 -6.784 -6.784 184 HA HIS 27 HA HIS 27 -5.267 -8.073 -8.073 185 1HB HIS 27 HB2 HIS 27 -4.357 -9.902 -9.902 186 2HB HIS 27 HB1 HIS 27 -4.004 -9.925 -9.925 187 HD1 HIS 27 HD1 HIS 27 -2.550 -7.305 -7.305 188 HD2 HIS 27 HD2 HIS 27 -1.853 -9.766 -9.766 189 HE1 HIS 27 HE1 HIS 27 -0.278 -6.666 -6.666 190 H ALA 28 HN ALA 28 -7.404 -8.401 -8.401 191 HA ALA 28 HA ALA 28 -8.641 -8.744 -8.744 192 1HB ALA 28 HB1 ALA 28 -9.553 -7.694 -7.694 193 2HB ALA 28 HB3 ALA 28 -10.748 -8.612 -8.612 194 3HB ALA 28 HB2 ALA 28 -9.995 -7.186 -7.186 195 H VAL 29 HN VAL 29 -9.935 -10.594 -10.594 196 HA VAL 29 HA VAL 29 -10.055 -12.695 -12.695 197 HB VAL 29 HB VAL 29 -8.855 -12.943 -12.943 198 1HG1 VAL 29 HG13 VAL 29 -10.816 -14.490 -14.490 199 2HG1 VAL 29 HG12 VAL 29 -10.219 -15.218 -15.218 200 3HG1 VAL 29 HG11 VAL 29 -9.287 -15.369 -15.369 201 1HG2 VAL 29 HG22 VAL 29 -8.238 -13.622 -13.622 202 2HG2 VAL 29 HG21 VAL 29 -7.159 -13.092 -13.092 203 3HG2 VAL 29 HG23 VAL 29 -7.678 -14.775 -14.775 204 H ASP 30 HN ASP 30 -12.077 -13.396 -13.396 205 HA ASP 30 HA ASP 30 -14.012 -12.778 -12.778 206 1HB ASP 30 HB2 ASP 30 -15.562 -12.303 -12.303 207 2HB ASP 30 HB1 ASP 30 -14.111 -11.970 -11.970 208 HA PRO 31 HA PRO 31 -15.002 -17.016 -17.016 209 1HB PRO 31 HB2 PRO 31 -17.724 -17.196 -17.196 210 2HB PRO 31 HB1 PRO 31 -16.948 -16.469 -16.469 211 1HG PRO 31 HG2 PRO 31 -18.338 -15.134 -15.134 212 2HG PRO 31 HG1 PRO 31 -18.089 -14.558 -14.558 213 1HD PRO 31 HD2 PRO 31 -16.628 -13.760 -13.760 214 2HD PRO 31 HD1 PRO 31 -16.204 -13.405 -13.405 215 H ASP 32 HN ASP 32 -14.657 -16.081 -16.081 216 HA ASP 32 HA ASP 32 -15.835 -18.643 -18.643 217 1HB ASP 32 HB2 ASP 32 -16.803 -17.652 -17.652 218 2HB ASP 32 HB1 ASP 32 -16.813 -16.245 -16.245 219 H GLY 33 HN GLY 33 -13.023 -17.426 -17.426 220 1HA GLY 33 HA2 GLY 33 -10.851 -18.211 -18.211 221 2HA GLY 33 HA1 GLY 33 -11.537 -19.060 -19.060 222 H VAL 34 HN VAL 34 -12.150 -15.706 -15.706 223 HA VAL 34 HA VAL 34 -10.258 -14.800 -14.800 224 HB VAL 34 HB VAL 34 -13.165 -14.052 -14.052 225 1HG1 VAL 34 HG11 VAL 34 -10.728 -14.140 -14.140 226 2HG1 VAL 34 HG13 VAL 34 -12.356 -13.932 -13.932 227 3HG1 VAL 34 HG12 VAL 34 -11.689 -12.736 -12.736 228 1HG2 VAL 34 HG22 VAL 34 -13.035 -16.539 -16.539 229 2HG2 VAL 34 HG21 VAL 34 -13.468 -15.919 -15.919 230 3HG2 VAL 34 HG23 VAL 34 -11.824 -16.473 -16.473 231 H HIS 35 HN HIS 35 -10.514 -12.303 -12.303 232 HA HIS 35 HA HIS 35 -10.657 -11.264 -11.264 233 1HB HIS 35 HB2 HIS 35 -10.147 -9.614 -9.614 234 2HB HIS 35 HB1 HIS 35 -9.571 -9.330 -9.330 235 HD1 HIS 35 HD1 HIS 35 -7.244 -10.126 -10.126 236 HD2 HIS 35 HD2 HIS 35 -8.916 -12.112 -12.112 237 HE1 HIS 35 HE1 HIS 35 -5.432 -11.633 -11.633 238 H ARG 36 HN ARG 36 -13.073 -12.125 -12.125 239 HA ARG 36 HA ARG 36 -15.304 -11.482 -11.482 240 1HB ARG 36 HB2 ARG 36 -14.012 -9.360 -9.360 241 2HB ARG 36 HB1 ARG 36 -14.764 -8.592 -8.592 242 1HG ARG 36 HG2 ARG 36 -16.842 -10.067 -10.067 243 2HG ARG 36 HG1 ARG 36 -16.037 -9.907 -9.907 244 1HD ARG 36 HD2 ARG 36 -17.086 -7.901 -7.901 245 2HD ARG 36 HD1 ARG 36 -15.899 -7.339 -7.339 246 HE ARG 36 HE ARG 36 -17.776 -8.327 -8.327 247 1HH1 ARG 36 HH21 ARG 36 -19.594 -8.147 -8.147 248 2HH1 ARG 36 HH22 ARG 36 -20.381 -6.632 -6.632 249 1HH2 ARG 36 HH11 ARG 36 -18.120 -5.637 -5.637 250 2HH2 ARG 36 HH12 ARG 36 -19.547 -5.210 -5.210 251 H THR 37 HN THR 37 -15.001 -12.430 -12.430 252 HA THR 37 HA THR 37 -15.256 -12.254 -12.254 253 HB THR 37 HB THR 37 -17.079 -10.052 -10.052 254 HG1 THR 37 HG1 THR 37 -17.463 -10.105 -10.105 255 1HG2 THR 37 HG23 THR 37 -16.921 -12.810 -12.810 256 2HG2 THR 37 HG22 THR 37 -18.417 -12.570 -12.570 257 3HG2 THR 37 HG21 THR 37 -18.096 -11.611 -11.611 258 H ASP 38 HN ASP 38 -13.140 -11.378 -11.378 259 HA ASP 38 HA ASP 38 -12.118 -8.854 -8.854 260 1HB ASP 38 HB2 ASP 38 -11.521 -11.030 -11.030 261 2HB ASP 38 HB1 ASP 38 -11.885 -9.777 -9.777 262 H GLY 39 HN GLY 39 -12.333 -6.839 -6.839 263 1HA GLY 39 HA2 GLY 39 -13.302 -5.282 -5.282 264 2HA GLY 39 HA1 GLY 39 -14.414 -6.541 -6.541 265 H GLY 40 HN GLY 40 -15.391 -7.314 -7.314 266 1HA GLY 40 HA2 GLY 40 -16.982 -4.864 -4.864 267 2HA GLY 40 HA1 GLY 40 -17.563 -6.515 -6.515 268 H ASP 41 HN ASP 41 -14.343 -5.398 -5.398 269 HA ASP 41 HA ASP 41 -14.904 -6.260 -6.260 270 1HB ASP 41 HB2 ASP 41 -12.308 -5.141 -5.141 271 2HB ASP 41 HB1 ASP 41 -12.525 -6.142 -6.142 272 H GLY 42 HN GLY 42 -15.836 -4.729 -4.729 273 1HA GLY 42 HA2 GLY 42 -15.679 -1.893 -1.893 274 2HA GLY 42 HA1 GLY 42 -16.276 -2.623 -2.623 275 H PHE 43 HN PHE 43 -13.177 -2.300 -2.300 276 HA PHE 43 HA PHE 43 -11.781 -2.138 -2.138 277 1HB PHE 43 HB2 PHE 43 -11.178 -3.281 -3.281 278 2HB PHE 43 HB1 PHE 43 -10.048 -1.946 -1.946 279 HD1 PHE 43 HD1 PHE 43 -10.072 -2.069 -2.069 280 HD2 PHE 43 HD2 PHE 43 -9.581 -5.048 -5.048 281 HE1 PHE 43 HE1 PHE 43 -8.738 -3.461 -3.461 282 HE2 PHE 43 HE2 PHE 43 -8.243 -6.434 -6.434 283 HZ PHE 43 HZ PHE 43 -7.828 -5.643 -5.643 284 H VAL 44 HN VAL 44 -11.544 -0.134 -0.134 285 HA VAL 44 HA VAL 44 -10.810 2.044 2.044 286 HB VAL 44 HB VAL 44 -12.763 3.039 3.039 287 1HG1 VAL 44 HG13 VAL 44 -12.771 0.898 0.898 288 2HG1 VAL 44 HG12 VAL 44 -13.677 2.347 2.347 289 3HG1 VAL 44 HG11 VAL 44 -14.063 1.459 1.459 290 1HG2 VAL 44 HG23 VAL 44 -10.930 4.253 4.253 291 2HG2 VAL 44 HG22 VAL 44 -12.584 4.500 4.500 292 3HG2 VAL 44 HG21 VAL 44 -11.521 3.387 3.387 293 H VAL 45 HN VAL 45 -8.707 2.472 2.472 294 HA VAL 45 HA VAL 45 -7.722 2.445 2.445 295 HB VAL 45 HB VAL 45 -5.947 1.963 1.963 296 1HG1 VAL 45 HG13 VAL 45 -5.469 2.325 2.325 297 2HG1 VAL 45 HG12 VAL 45 -5.496 0.569 0.569 298 3HG1 VAL 45 HG11 VAL 45 -4.373 1.516 1.516 299 1HG2 VAL 45 HG22 VAL 45 -8.070 0.244 0.244 300 2HG2 VAL 45 HG21 VAL 45 -6.940 -0.007 -0.007 301 3HG2 VAL 45 HG23 VAL 45 -6.507 -0.516 -0.516 302 H THR 46 HN THR 46 -6.275 4.132 4.132 303 HA THR 46 HA THR 46 -5.495 6.082 6.082 304 HB THR 46 HB THR 46 -6.886 7.677 7.677 305 HG1 THR 46 HG1 THR 46 -9.022 6.689 6.689 306 1HG2 THR 46 HG21 THR 46 -7.262 6.995 6.995 307 2HG2 THR 46 HG23 THR 46 -8.254 8.200 8.200 308 3HG2 THR 46 HG22 THR 46 -6.510 8.433 8.433 309 H ILE 47 HN ILE 47 -3.715 7.157 7.157 310 HA ILE 47 HA ILE 47 -3.012 7.075 7.075 311 HB ILE 47 HB ILE 47 -1.306 6.599 6.599 312 1HG1 ILE 47 HG12 ILE 47 -2.024 5.191 5.191 313 2HG1 ILE 47 HG11 ILE 47 -1.585 4.527 4.527 314 1HG2 ILE 47 HG22 ILE 47 -0.331 7.652 7.652 315 2HG2 ILE 47 HG21 ILE 47 0.709 7.050 7.050 316 3HG2 ILE 47 HG23 ILE 47 -0.249 8.503 8.503 317 1HD1 ILE 47 HD11 ILE 47 0.803 5.451 5.451 318 2HD1 ILE 47 HD13 ILE 47 0.218 5.431 5.431 319 3HD1 ILE 47 HD12 ILE 47 0.273 3.936 3.936 320 H GLU 48 HN GLU 48 -1.779 8.916 8.916 321 HA GLU 48 HA GLU 48 -1.173 11.083 11.083 322 1HB GLU 48 HB2 GLU 48 -2.938 12.628 12.628 323 2HB GLU 48 HB1 GLU 48 -3.355 11.807 11.807 324 1HG GLU 48 HG2 GLU 48 -4.725 10.298 10.298 325 2HG GLU 48 HG1 GLU 48 -3.716 10.227 10.227 326 H GLY 49 HN GLY 49 -0.174 12.840 12.840 327 1HA GLY 49 HA2 GLY 49 0.116 12.767 12.767 328 2HA GLY 49 HA1 GLY 49 1.582 12.382 12.382 329 HA PRO 50 HA PRO 50 1.270 16.990 16.990 330 1HB PRO 50 HB2 PRO 50 3.731 17.312 17.312 331 2HB PRO 50 HB1 PRO 50 2.226 17.071 17.071 332 1HG PRO 50 HG2 PRO 50 4.445 15.140 15.140 333 2HG PRO 50 HG1 PRO 50 3.300 15.204 15.204 334 1HD PRO 50 HD2 PRO 50 3.153 13.439 13.439 335 2HD PRO 50 HD1 PRO 50 1.846 13.767 13.767 336 H ALA 51 HN ALA 51 1.579 16.291 16.291 337 HA ALA 51 HA ALA 51 4.053 17.554 17.554 338 1HB ALA 51 HB1 ALA 51 4.131 14.812 14.812 339 2HB ALA 51 HB3 ALA 51 3.732 14.957 14.957 340 3HB ALA 51 HB2 ALA 51 5.190 15.720 15.720 341 HA PRO 52 HA PRO 52 1.596 18.400 18.400 342 1HB PRO 52 HB2 PRO 52 3.251 17.874 17.874 343 2HB PRO 52 HB1 PRO 52 3.428 19.283 19.283 344 1HG PRO 52 HG2 PRO 52 5.069 16.794 16.794 345 2HG PRO 52 HG1 PRO 52 5.529 18.421 18.421 346 1HD PRO 52 HD2 PRO 52 4.910 16.250 16.250 347 2HD PRO 52 HD1 PRO 52 5.020 17.952 17.952 348 H VAL 53 HN VAL 53 3.389 15.379 15.379 349 HA VAL 53 HA VAL 53 1.037 14.336 14.336 350 HB VAL 53 HB VAL 53 3.612 12.866 12.866 351 1HG1 VAL 53 HG12 VAL 53 1.710 11.584 11.584 352 2HG1 VAL 53 HG11 VAL 53 1.622 12.723 12.723 353 3HG1 VAL 53 HG13 VAL 53 3.045 11.700 11.700 354 1HG2 VAL 53 HG21 VAL 53 3.039 15.081 15.081 355 2HG2 VAL 53 HG23 VAL 53 4.510 14.751 14.751 356 3HG2 VAL 53 HG22 VAL 53 4.112 13.773 13.773 357 H ASP 54 HN ASP 54 -0.421 14.139 14.139 358 HA ASP 54 HA ASP 54 0.520 12.179 12.179 359 1HB ASP 54 HB2 ASP 54 -1.683 14.235 14.235 360 2HB ASP 54 HB1 ASP 54 -1.518 13.006 13.006 361 HA PRO 55 HA PRO 55 -3.604 10.127 10.127 362 1HB PRO 55 HB2 PRO 55 -5.208 11.284 11.284 363 2HB PRO 55 HB1 PRO 55 -5.322 11.651 11.651 364 1HG PRO 55 HG2 PRO 55 -4.151 13.298 13.298 365 2HG PRO 55 HG1 PRO 55 -4.881 13.820 13.820 366 1HD PRO 55 HD2 PRO 55 -2.116 13.686 13.686 367 2HD PRO 55 HD1 PRO 55 -2.872 13.832 13.832 368 H VAL 56 HN VAL 56 -2.576 8.428 8.428 369 HA VAL 56 HA VAL 56 -2.546 8.692 8.692 370 HB VAL 56 HB VAL 56 -0.320 7.430 7.430 371 1HG1 VAL 56 HG11 VAL 56 -0.861 8.185 8.185 372 2HG1 VAL 56 HG13 VAL 56 0.806 8.121 8.121 373 3HG1 VAL 56 HG12 VAL 56 -0.209 6.681 6.681 374 1HG2 VAL 56 HG23 VAL 56 -0.589 10.289 10.289 375 2HG2 VAL 56 HG22 VAL 56 -0.314 9.759 9.759 376 3HG2 VAL 56 HG21 VAL 56 0.954 9.562 9.562 377 H MET 57 HN MET 57 -4.282 7.144 7.144 378 HA MET 57 HA MET 57 -3.391 4.400 4.400 379 1HB MET 57 HB2 MET 57 -5.419 3.786 3.786 380 2HB MET 57 HB1 MET 57 -4.881 5.284 5.284 381 1HG MET 57 HG2 MET 57 -6.897 6.162 6.162 382 2HG MET 57 HG1 MET 57 -6.443 6.081 6.081 383 1HE MET 57 HE3 MET 57 -8.949 6.349 6.349 384 2HE MET 57 HE2 MET 57 -9.212 5.324 5.324 385 3HE MET 57 HE1 MET 57 -10.102 5.010 5.010 386 H VAL 58 HN VAL 58 -3.928 2.890 2.890 387 HA VAL 58 HA VAL 58 -5.853 3.702 3.702 388 HB VAL 58 HB VAL 58 -3.654 2.027 2.027 389 1HG1 VAL 58 HG13 VAL 58 -5.511 3.397 3.397 390 2HG1 VAL 58 HG12 VAL 58 -4.420 4.764 4.764 391 3HG1 VAL 58 HG11 VAL 58 -3.889 3.359 3.359 392 1HG2 VAL 58 HG23 VAL 58 -3.082 4.760 4.760 393 2HG2 VAL 58 HG22 VAL 58 -2.204 3.254 3.254 394 3HG2 VAL 58 HG21 VAL 58 -2.092 4.071 4.071 395 H ASP 59 HN ASP 59 -6.807 1.867 1.867 396 HA ASP 59 HA ASP 59 -6.717 -0.660 -0.660 397 1HB ASP 59 HB2 ASP 59 -8.910 0.169 0.169 398 2HB ASP 59 HB1 ASP 59 -8.957 0.772 0.772 399 H ASN 60 HN ASN 60 -6.019 -2.445 -2.445 400 HA ASN 60 HA ASN 60 -5.439 -2.203 -2.203 401 1HB ASN 60 HB2 ASN 60 -3.976 -3.304 -3.304 402 2HB ASN 60 HB1 ASN 60 -4.938 -4.725 -4.725 403 1HD2 ASN 60 HD22 ASN 60 -1.934 -3.639 -3.639 404 2HD2 ASN 60 HD21 ASN 60 -2.172 -2.947 -2.947 405 H GLY 61 HN GLY 61 -7.851 -3.705 -3.705 406 1HA GLY 61 HA2 GLY 61 -9.865 -4.669 -4.669 407 2HA GLY 61 HA1 GLY 61 -9.246 -4.575 -4.575 408 H ASP 62 HN ASP 62 -7.053 -6.024 -6.024 409 HA ASP 62 HA ASP 62 -7.856 -8.712 -8.712 410 1HB ASP 62 HB2 ASP 62 -5.524 -9.348 -9.348 411 2HB ASP 62 HB1 ASP 62 -5.636 -7.812 -7.812 412 H GLY 63 HN GLY 63 -8.868 -7.442 -7.442 413 1HA GLY 63 HA2 GLY 63 -9.429 -8.284 -8.284 414 2HA GLY 63 HA1 GLY 63 -8.361 -9.654 -9.654 415 H THR 64 HN THR 64 -6.513 -7.085 -7.085 416 HA THR 64 HA THR 64 -5.618 -6.621 -6.621 417 HB THR 64 HB THR 64 -3.261 -6.567 -6.567 418 HG1 THR 64 HG1 THR 64 -3.412 -6.898 -6.898 419 1HG2 THR 64 HG22 THR 64 -4.494 -8.409 -8.409 420 2HG2 THR 64 HG21 THR 64 -4.358 -9.344 -9.344 421 3HG2 THR 64 HG23 THR 64 -2.908 -8.714 -8.714 422 H TYR 65 HN TYR 65 -4.767 -4.505 -4.505 423 HA TYR 65 HA TYR 65 -5.057 -2.664 -2.664 424 1HB TYR 65 HB2 TYR 65 -5.880 -2.173 -2.173 425 2HB TYR 65 HB1 TYR 65 -5.920 -0.960 -0.960 426 HD1 TYR 65 HD1 TYR 65 -6.984 -4.541 -4.541 427 HD2 TYR 65 HD2 TYR 65 -7.964 -0.644 -0.644 428 HE1 TYR 65 HE1 TYR 65 -9.137 -5.402 -5.402 429 HE2 TYR 65 HE2 TYR 65 -10.129 -1.503 -1.503 430 HH TYR 65 HH TYR 65 -11.582 -3.244 -3.244 431 H ASP 66 HN ASP 66 -3.669 -0.749 -0.749 432 HA ASP 66 HA ASP 66 -1.298 -1.178 -1.178 433 1HB ASP 66 HB2 ASP 66 0.148 -0.517 -0.517 434 2HB ASP 66 HB1 ASP 66 -0.990 -1.656 -1.656 435 H VAL 67 HN VAL 67 -0.492 0.612 0.612 436 HA VAL 67 HA VAL 67 -1.674 3.247 3.247 437 HB VAL 67 HB VAL 67 -2.304 3.684 3.684 438 1HG1 VAL 67 HG11 VAL 67 -3.638 1.853 1.853 439 2HG1 VAL 67 HG13 VAL 67 -2.819 0.715 0.715 440 3HG1 VAL 67 HG12 VAL 67 -3.868 1.960 1.960 441 1HG2 VAL 67 HG21 VAL 67 -0.424 1.466 1.466 442 2HG2 VAL 67 HG23 VAL 67 -0.536 3.076 3.076 443 3HG2 VAL 67 HG22 VAL 67 -1.725 1.843 1.843 444 H GLU 68 HN GLU 68 -0.164 5.046 5.046 445 HA GLU 68 HA GLU 68 2.401 4.336 4.336 446 1HB GLU 68 HB2 GLU 68 2.430 5.300 5.300 447 2HB GLU 68 HB1 GLU 68 3.793 4.720 4.720 448 1HG GLU 68 HG2 GLU 68 2.743 2.465 2.465 449 2HG GLU 68 HG1 GLU 68 1.413 3.061 3.061 450 H PHE 69 HN PHE 69 3.205 6.062 6.062 451 HA PHE 69 HA PHE 69 2.686 8.760 8.760 452 1HB PHE 69 HB2 PHE 69 2.245 9.750 9.750 453 2HB PHE 69 HB1 PHE 69 1.116 8.418 8.418 454 HD1 PHE 69 HD2 PHE 69 2.186 6.040 6.040 455 HD2 PHE 69 HD1 PHE 69 3.285 9.927 9.927 456 HE1 PHE 69 HE2 PHE 69 3.050 5.030 5.030 457 HE2 PHE 69 HE1 PHE 69 4.141 8.902 8.902 458 HZ PHE 69 HZ PHE 69 4.001 6.441 6.441 459 H GLU 70 HN GLU 70 4.423 10.318 10.318 460 HA GLU 70 HA GLU 70 6.823 9.111 9.111 461 1HB GLU 70 HB2 GLU 70 7.155 8.489 8.489 462 2HB GLU 70 HB1 GLU 70 6.698 10.097 10.097 463 1HG GLU 70 HG2 GLU 70 8.664 11.033 11.033 464 2HG GLU 70 HG1 GLU 70 9.152 9.381 9.381 465 HA PRO 71 HA PRO 71 6.493 13.484 13.484 466 1HB PRO 71 HB2 PRO 71 7.694 13.090 13.090 467 2HB PRO 71 HB1 PRO 71 5.968 12.822 12.822 468 1HG PRO 71 HG2 PRO 71 8.148 10.814 10.814 469 2HG PRO 71 HG1 PRO 71 6.419 10.655 10.655 470 1HD PRO 71 HD2 PRO 71 7.759 9.637 9.637 471 2HD PRO 71 HD1 PRO 71 6.000 9.799 9.799 472 H LYS 72 HN LYS 72 8.518 14.630 14.630 473 HA LYS 72 HA LYS 72 11.066 14.022 14.022 474 1HB LYS 72 HB2 LYS 72 11.223 16.712 16.712 475 2HB LYS 72 HB1 LYS 72 10.591 15.852 15.852 476 1HG LYS 72 HG2 LYS 72 8.302 16.104 16.104 477 2HG LYS 72 HG1 LYS 72 8.892 16.883 16.883 478 1HD LYS 72 HD2 LYS 72 10.064 18.299 18.299 479 2HD LYS 72 HD1 LYS 72 8.377 18.055 18.055 480 1HE LYS 72 HE2 LYS 72 8.431 20.087 20.087 481 2HE LYS 72 HE1 LYS 72 7.767 18.860 18.860 482 1HZ LYS 72 HZ2 LYS 72 10.089 18.531 18.531 483 2HZ LYS 72 HZ1 LYS 72 10.534 19.920 19.920 484 3HZ LYS 72 HZ3 LYS 72 9.403 20.035 20.035 485 H GLU 73 HN GLU 73 9.881 16.368 16.368 486 HA GLU 73 HA GLU 73 12.424 16.003 16.003 487 1HB GLU 73 HB2 GLU 73 11.576 17.813 17.813 488 2HB GLU 73 HB1 GLU 73 11.383 18.245 18.245 489 1HG GLU 73 HG2 GLU 73 9.103 18.153 18.153 490 2HG GLU 73 HG1 GLU 73 9.105 16.770 16.770 491 H ALA 74 HN ALA 74 10.829 16.534 16.534 492 HA ALA 74 HA ALA 74 10.470 13.679 13.679 493 1HB ALA 74 HB2 ALA 74 10.376 16.151 16.151 494 2HB ALA 74 HB1 ALA 74 10.274 14.490 14.490 495 3HB ALA 74 HB3 ALA 74 11.751 15.065 15.065 496 H GLY 75 HN GLY 75 8.477 12.749 12.749 497 1HA GLY 75 HA2 GLY 75 6.106 14.394 14.394 498 2HA GLY 75 HA1 GLY 75 6.172 13.703 13.703 499 H ASP 76 HN ASP 76 4.171 13.060 13.060 500 HA ASP 76 HA ASP 76 4.837 10.219 10.219 501 1HB ASP 76 HB2 ASP 76 3.165 10.336 10.336 502 2HB ASP 76 HB1 ASP 76 4.172 11.773 11.773 503 H TYR 77 HN TYR 77 3.147 8.679 8.679 504 HA TYR 77 HA TYR 77 1.450 9.598 9.598 505 1HB TYR 77 HB2 TYR 77 2.220 6.740 6.740 506 2HB TYR 77 HB1 TYR 77 1.682 7.488 7.488 507 HD1 TYR 77 HD1 TYR 77 3.434 10.023 10.023 508 HD2 TYR 77 HD2 TYR 77 4.208 5.810 5.810 509 HE1 TYR 77 HE1 TYR 77 5.767 10.435 10.435 510 HE2 TYR 77 HE2 TYR 77 6.537 6.205 6.205 511 HH TYR 77 HH TYR 77 7.595 9.020 9.020 512 H VAL 78 HN VAL 78 -0.625 9.017 9.017 513 HA VAL 78 HA VAL 78 -1.740 7.445 7.445 514 HB VAL 78 HB VAL 78 -2.575 9.594 9.594 515 1HG1 VAL 78 HG11 VAL 78 -2.642 9.848 9.848 516 2HG1 VAL 78 HG13 VAL 78 -3.611 10.926 10.926 517 3HG1 VAL 78 HG12 VAL 78 -1.856 10.898 10.898 518 1HG2 VAL 78 HG21 VAL 78 -4.295 7.624 7.624 519 2HG2 VAL 78 HG23 VAL 78 -4.801 9.146 9.146 520 3HG2 VAL 78 HG22 VAL 78 -4.811 8.966 8.966 521 H ILE 79 HN ILE 79 -2.753 5.686 5.686 522 HA ILE 79 HA ILE 79 -3.173 5.496 5.496 523 HB ILE 79 HB ILE 79 -3.439 2.975 2.975 524 1HG1 ILE 79 HG12 ILE 79 -0.947 4.623 4.623 525 2HG1 ILE 79 HG11 ILE 79 -1.985 3.848 3.848 526 1HG2 ILE 79 HG22 ILE 79 -2.910 3.402 3.402 527 2HG2 ILE 79 HG21 ILE 79 -1.314 3.960 3.960 528 3HG2 ILE 79 HG23 ILE 79 -1.797 2.287 2.287 529 1HD1 ILE 79 HD11 ILE 79 -1.300 1.726 1.726 530 2HD1 ILE 79 HD13 ILE 79 0.172 2.697 2.697 531 3HD1 ILE 79 HD12 ILE 79 -0.488 2.145 2.145 532 H ASN 80 HN ASN 80 -4.875 4.313 4.313 533 HA ASN 80 HA ASN 80 -7.270 3.918 3.918 534 1HB ASN 80 HB2 ASN 80 -7.519 5.507 5.507 535 2HB ASN 80 HB1 ASN 80 -8.643 5.386 5.386 536 1HD2 ASN 80 HD22 ASN 80 -7.239 8.079 8.079 537 2HD2 ASN 80 HD21 ASN 80 -8.480 6.926 6.926 538 H LEU 81 HN LEU 81 -7.751 1.874 1.874 539 HA LEU 81 HA LEU 81 -7.734 1.073 1.073 540 1HB LEU 81 HB2 LEU 81 -5.656 0.209 0.209 541 2HB LEU 81 HB1 LEU 81 -6.550 -0.460 -0.460 542 HG LEU 81 HG LEU 81 -5.810 -1.922 -1.922 543 1HD1 LEU 81 HD11 LEU 81 -7.913 -2.080 -2.080 544 2HD1 LEU 81 HD13 LEU 81 -8.158 -3.153 -3.153 545 3HD1 LEU 81 HD12 LEU 81 -6.667 -3.245 -3.245 546 1HD2 LEU 81 HD21 LEU 81 -7.598 -0.330 -0.330 547 2HD2 LEU 81 HD23 LEU 81 -7.311 -1.997 -1.997 548 3HD2 LEU 81 HD22 LEU 81 -8.679 -1.598 -1.598 549 H THR 82 HN THR 82 -9.742 0.249 0.249 550 HA THR 82 HA THR 82 -11.252 -1.034 -1.034 551 HB THR 82 HB THR 82 -13.267 0.295 0.295 552 HG1 THR 82 HG1 THR 82 -11.364 1.108 1.108 553 1HG2 THR 82 HG23 THR 82 -11.159 1.008 1.008 554 2HG2 THR 82 HG22 THR 82 -11.992 2.420 2.420 555 3HG2 THR 82 HG21 THR 82 -12.909 1.155 1.155 556 H LEU 83 HN LEU 83 -12.460 -2.774 -2.774 557 HA LEU 83 HA LEU 83 -13.141 -3.169 -3.169 558 1HB LEU 83 HB2 LEU 83 -10.988 -4.412 -4.412 559 2HB LEU 83 HB1 LEU 83 -11.951 -5.419 -5.419 560 HG LEU 83 HG LEU 83 -11.551 -6.273 -6.273 561 1HD1 LEU 83 HD13 LEU 83 -13.276 -7.077 -7.077 562 2HD1 LEU 83 HD12 LEU 83 -14.446 -6.085 -6.085 563 3HD1 LEU 83 HD11 LEU 83 -13.636 -7.416 -7.416 564 1HD2 LEU 83 HD22 LEU 83 -12.382 -3.867 -3.867 565 2HD2 LEU 83 HD21 LEU 83 -12.746 -5.308 -5.308 566 3HD2 LEU 83 HD23 LEU 83 -13.968 -4.627 -4.627 567 H ASP 84 HN ASP 84 -15.242 -2.534 -2.534 568 HA ASP 84 HA ASP 84 -17.283 -4.155 -4.155 569 1HB ASP 84 HB2 ASP 84 -15.709 -4.887 -4.887 570 2HB ASP 84 HB1 ASP 84 -17.471 -4.988 -4.988 571 H GLY 85 HN GLY 85 -15.601 -1.732 -1.732 572 1HA GLY 85 HA2 GLY 85 -17.025 0.385 0.385 573 2HA GLY 85 HA1 GLY 85 -18.171 -0.646 -0.646 574 H ASP 86 HN ASP 86 -15.067 -1.736 -1.736 575 HA ASP 86 HA ASP 86 -14.870 0.049 0.049 576 1HB ASP 86 HB2 ASP 86 -15.748 -2.435 -2.435 577 2HB ASP 86 HB1 ASP 86 -14.039 -2.837 -2.837 578 H ASN 87 HN ASN 87 -12.488 -0.306 -0.306 579 HA ASN 87 HA ASN 87 -10.692 -0.342 -0.342 580 1HB ASN 87 HB2 ASN 87 -10.020 0.904 0.904 581 2HB ASN 87 HB1 ASN 87 -9.296 1.233 1.233 582 1HD2 ASN 87 HD22 ASN 87 -12.768 3.101 3.101 583 2HD2 ASN 87 HD21 ASN 87 -12.125 1.871 1.871 584 H VAL 88 HN VAL 88 -8.623 -1.415 -1.415 585 HA VAL 88 HA VAL 88 -8.776 -3.829 -3.829 586 HB VAL 88 HB VAL 88 -6.706 -2.540 -2.540 587 1HG1 VAL 88 HG12 VAL 88 -6.179 -4.770 -4.770 588 2HG1 VAL 88 HG11 VAL 88 -5.205 -4.537 -4.537 589 3HG1 VAL 88 HG13 VAL 88 -5.261 -3.281 -3.281 590 1HG2 VAL 88 HG21 VAL 88 -8.000 -5.280 -5.280 591 2HG2 VAL 88 HG23 VAL 88 -8.448 -3.979 -3.979 592 3HG2 VAL 88 HG22 VAL 88 -6.874 -4.762 -4.762 593 H ASN 89 HN ASN 89 -7.133 -4.429 -4.429 594 HA ASN 89 HA ASN 89 -7.113 -2.294 -2.294 595 1HB ASN 89 HB2 ASN 89 -6.691 -5.190 -5.190 596 2HB ASN 89 HB1 ASN 89 -5.640 -4.344 -4.344 597 1HD2 ASN 89 HD22 ASN 89 -9.622 -4.617 -4.617 598 2HD2 ASN 89 HD21 ASN 89 -8.951 -5.276 -5.276 599 H GLY 90 HN GLY 90 -5.292 -2.047 -2.047 600 1HA GLY 90 HA2 GLY 90 -2.887 -1.303 -1.303 601 2HA GLY 90 HA1 GLY 90 -2.658 -2.318 -2.318 602 H PHE 91 HN PHE 91 -5.275 -0.160 -0.160 603 HA PHE 91 HA PHE 91 -3.630 1.581 1.581 604 1HB PHE 91 HB2 PHE 91 -6.263 0.323 0.323 605 2HB PHE 91 HB1 PHE 91 -6.125 1.980 1.980 606 HD1 PHE 91 HD2 PHE 91 -4.809 -1.440 -1.440 607 HD2 PHE 91 HD1 PHE 91 -4.582 2.544 2.544 608 HE1 PHE 91 HE2 PHE 91 -3.427 -2.241 -2.241 609 HE2 PHE 91 HE1 PHE 91 -3.192 1.769 1.769 610 HZ PHE 91 HZ PHE 91 -2.612 -0.645 -0.645 611 HA PRO 92 HA PRO 92 -6.475 4.655 4.655 612 1HB PRO 92 HB2 PRO 92 -7.565 3.896 3.896 613 2HB PRO 92 HB1 PRO 92 -8.423 3.776 3.776 614 1HG PRO 92 HG2 PRO 92 -7.190 1.614 1.614 615 2HG PRO 92 HG1 PRO 92 -8.530 1.522 1.522 616 1HD PRO 92 HD2 PRO 92 -5.866 0.729 0.729 617 2HD PRO 92 HD1 PRO 92 -7.118 0.951 0.951 618 H LYS 93 HN LYS 93 -3.875 2.993 2.993 619 HA LYS 93 HA LYS 93 -3.159 4.372 4.372 620 1HB LYS 93 HB2 LYS 93 -2.677 1.932 1.932 621 2HB LYS 93 HB1 LYS 93 -1.676 2.269 2.269 622 1HG LYS 93 HG2 LYS 93 -0.177 3.654 3.654 623 2HG LYS 93 HG1 LYS 93 -1.195 3.397 3.397 624 1HD LYS 93 HD2 LYS 93 0.036 1.565 1.565 625 2HD LYS 93 HD1 LYS 93 -0.657 0.824 0.824 626 1HE LYS 93 HE2 LYS 93 1.223 1.176 1.176 627 2HE LYS 93 HE1 LYS 93 1.571 2.722 2.722 628 1HZ LYS 93 HZ3 LYS 93 2.244 1.441 1.441 629 2HZ LYS 93 HZ2 LYS 93 2.082 0.011 0.011 630 3HZ LYS 93 HZ1 LYS 93 3.238 1.174 1.174 631 H THR 94 HN THR 94 -0.936 5.328 5.328 632 HA THR 94 HA THR 94 -0.449 6.651 6.651 633 HB THR 94 HB THR 94 0.028 7.827 7.827 634 HG1 THR 94 HG1 THR 94 -2.232 7.370 7.370 635 1HG2 THR 94 HG23 THR 94 1.139 8.540 8.540 636 2HG2 THR 94 HG22 THR 94 -0.349 9.484 9.484 637 3HG2 THR 94 HG21 THR 94 0.770 9.692 9.692 638 H VAL 95 HN VAL 95 1.532 6.376 6.376 639 HA VAL 95 HA VAL 95 3.563 5.212 5.212 640 HB VAL 95 HB VAL 95 3.245 5.147 5.147 641 1HG1 VAL 95 HG12 VAL 95 5.799 4.594 4.594 642 2HG1 VAL 95 HG11 VAL 95 5.518 4.176 4.176 643 3HG1 VAL 95 HG13 VAL 95 5.565 5.868 5.868 644 1HG2 VAL 95 HG21 VAL 95 3.424 3.257 3.257 645 2HG2 VAL 95 HG23 VAL 95 2.395 3.194 3.194 646 3HG2 VAL 95 HG22 VAL 95 4.091 2.723 2.723 647 H THR 96 HN THR 96 5.737 6.204 6.204 648 HA THR 96 HA THR 96 5.553 9.082 9.082 649 HB THR 96 HB THR 96 6.782 7.813 7.813 650 HG1 THR 96 HG1 THR 96 5.271 9.399 9.399 651 1HG2 THR 96 HG21 THR 96 7.187 10.481 10.481 652 2HG2 THR 96 HG23 THR 96 7.052 10.422 10.422 653 3HG2 THR 96 HG22 THR 96 8.315 9.503 9.503 654 H VAL 97 HN VAL 97 7.253 10.115 10.115 655 HA VAL 97 HA VAL 97 9.813 8.658 8.658 656 HB VAL 97 HB VAL 97 8.048 10.056 10.056 657 1HG1 VAL 97 HG12 VAL 97 11.064 9.881 9.881 658 2HG1 VAL 97 HG11 VAL 97 10.073 10.173 10.173 659 3HG1 VAL 97 HG13 VAL 97 10.079 11.342 11.342 660 1HG2 VAL 97 HG23 VAL 97 9.648 7.533 7.533 661 2HG2 VAL 97 HG22 VAL 97 7.985 7.744 7.744 662 3HG2 VAL 97 HG21 VAL 97 9.322 8.200 8.200 663 H LYS 98 HN LYS 98 11.572 9.950 9.950 664 HA LYS 98 HA LYS 98 10.971 12.836 12.836 665 1HB LYS 98 HB2 LYS 98 11.782 10.824 10.824 666 2HB LYS 98 HB1 LYS 98 12.981 12.116 12.116 667 1HG LYS 98 HG2 LYS 98 11.222 13.796 13.796 668 2HG LYS 98 HG1 LYS 98 10.001 12.523 12.523 669 1HD LYS 98 HD2 LYS 98 10.669 11.756 11.756 670 2HD LYS 98 HD1 LYS 98 12.327 12.318 12.318 671 1HE LYS 98 HE2 LYS 98 11.427 14.686 14.686 672 2HE LYS 98 HE1 LYS 98 9.878 13.995 13.995 673 1HZ LYS 98 HZ1 LYS 98 12.170 13.008 13.008 674 2HZ LYS 98 HZ3 LYS 98 11.838 14.654 14.654 675 3HZ LYS 98 HZ2 LYS 98 10.643 13.492 13.492 676 HA PRO 99 HA PRO 99 15.599 12.871 12.871 677 1HB PRO 99 HB2 PRO 99 16.977 10.503 10.503 678 2HB PRO 99 HB1 PRO 99 16.772 11.392 11.392 679 1HG PRO 99 HG2 PRO 99 15.407 8.902 8.902 680 2HG PRO 99 HG1 PRO 99 15.758 9.446 9.446 681 1HD PRO 99 HD2 PRO 99 13.259 9.609 9.609 682 2HD PRO 99 HD1 PRO 99 13.732 10.485 10.485 683 H ALA 100 HN ALA 100 14.047 13.139 13.139 684 HA ALA 100 HA ALA 100 14.270 11.152 11.152 685 1HB ALA 100 HB1 ALA 100 12.887 13.562 13.562 686 2HB ALA 100 HB3 ALA 100 14.027 13.880 13.880 687 3HB ALA 100 HB2 ALA 100 12.893 12.538 12.538 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 -17.706 -9.192 -9.192 2 2H ALA 1 HT3 ALA 1 -18.681 -8.422 -8.422 3 3H ALA 1 HT2 ALA 1 -18.865 -10.085 -10.085 4 HA ALA 1 HA ALA 1 -17.331 -10.595 -10.595 5 1HB ALA 1 HB1 ALA 1 -17.945 -7.777 -7.777 6 2HB ALA 1 HB3 ALA 1 -16.323 -8.193 -8.193 7 3HB ALA 1 HB2 ALA 1 -17.721 -9.070 -9.070 8 H ASP 2 HN ASP 2 -15.500 -11.464 -11.464 9 HA ASP 2 HA ASP 2 -13.442 -11.615 -11.615 10 1HB ASP 2 HB2 ASP 2 -12.713 -10.804 -10.804 11 2HB ASP 2 HB1 ASP 2 -13.091 -9.144 -9.144 12 HA PRO 3 HA PRO 3 -14.435 -8.081 -8.081 13 1HB PRO 3 HB2 PRO 3 -16.029 -9.416 -9.416 14 2HB PRO 3 HB1 PRO 3 -16.682 -8.529 -8.529 15 1HG PRO 3 HG2 PRO 3 -16.432 -11.473 -11.473 16 2HG PRO 3 HG1 PRO 3 -17.573 -10.569 -10.569 17 1HD PRO 3 HD2 PRO 3 -15.252 -11.925 -11.925 18 2HD PRO 3 HD1 PRO 3 -16.246 -10.779 -10.779 19 H GLU 4 HN GLU 4 -12.995 -11.040 -11.040 20 HA GLU 4 HA GLU 4 -11.656 -10.743 -10.743 21 1HB GLU 4 HB2 GLU 4 -13.602 -12.647 -12.647 22 2HB GLU 4 HB1 GLU 4 -12.061 -13.503 -13.503 23 1HG GLU 4 HG2 GLU 4 -12.560 -13.710 -13.710 24 2HG GLU 4 HG1 GLU 4 -11.592 -12.235 -12.235 25 H LYS 5 HN LYS 5 -11.135 -10.871 -10.871 26 HA LYS 5 HA LYS 5 -8.469 -12.103 -12.103 27 1HB LYS 5 HB2 LYS 5 -10.003 -12.691 -12.691 28 2HB LYS 5 HB1 LYS 5 -8.628 -13.554 -13.554 29 1HG LYS 5 HG2 LYS 5 -11.210 -13.444 -13.444 30 2HG LYS 5 HG1 LYS 5 -11.033 -14.591 -14.591 31 1HD LYS 5 HD2 LYS 5 -8.645 -14.799 -14.799 32 2HD LYS 5 HD1 LYS 5 -9.918 -14.715 -14.715 33 1HE LYS 5 HE2 LYS 5 -10.323 -16.498 -16.498 34 2HE LYS 5 HE1 LYS 5 -9.248 -17.038 -17.038 35 1HZ LYS 5 HZ2 LYS 5 -11.039 -16.640 -16.640 36 2HZ LYS 5 HZ1 LYS 5 -12.073 -16.184 -16.184 37 3HZ LYS 5 HZ3 LYS 5 -11.495 -17.775 -17.775 38 H SER 6 HN SER 6 -9.183 -9.401 -9.401 39 HA SER 6 HA SER 6 -8.179 -8.579 -8.579 40 1HB SER 6 HB2 SER 6 -9.526 -6.706 -6.706 41 2HB SER 6 HB1 SER 6 -9.385 -6.578 -6.578 42 HG SER 6 HG SER 6 -10.842 -8.590 -8.590 43 H TYR 7 HN TYR 7 -6.046 -8.108 -8.108 44 HA TYR 7 HA TYR 7 -5.143 -6.404 -6.404 45 1HB TYR 7 HB2 TYR 7 -2.947 -7.911 -7.911 46 2HB TYR 7 HB1 TYR 7 -4.268 -8.346 -8.346 47 HD1 TYR 7 HD2 TYR 7 -5.821 -10.152 -10.152 48 HD2 TYR 7 HD1 TYR 7 -2.587 -9.104 -9.104 49 HE1 TYR 7 HE2 TYR 7 -6.139 -12.275 -12.275 50 HE2 TYR 7 HE1 TYR 7 -2.906 -11.228 -11.228 51 HH TYR 7 HH TYR 7 -3.956 -13.200 -13.200 52 H ALA 8 HN ALA 8 -3.584 -4.919 -4.919 53 HA ALA 8 HA ALA 8 -2.621 -4.912 -4.912 54 1HB ALA 8 HB3 ALA 8 -4.061 -2.907 -2.907 55 2HB ALA 8 HB2 ALA 8 -2.432 -2.312 -2.312 56 3HB ALA 8 HB1 ALA 8 -3.454 -2.827 -2.827 57 H GLU 9 HN GLU 9 -0.416 -5.265 -5.265 58 HA GLU 9 HA GLU 9 1.178 -4.041 -4.041 59 1HB GLU 9 HB2 GLU 9 1.809 -6.836 -6.836 60 2HB GLU 9 HB1 GLU 9 2.284 -6.035 -6.035 61 1HG GLU 9 HG2 GLU 9 -0.374 -5.929 -5.929 62 2HG GLU 9 HG1 GLU 9 -0.296 -7.355 -7.355 63 H GLY 10 HN GLY 10 3.221 -3.383 -3.383 64 1HA GLY 10 HA2 GLY 10 4.385 -4.180 -4.180 65 2HA GLY 10 HA1 GLY 10 3.756 -2.539 -2.539 66 HA PRO 11 HA PRO 11 8.014 -2.486 -2.486 67 1HB PRO 11 HB2 PRO 11 9.347 -1.451 -1.451 68 2HB PRO 11 HB1 PRO 11 9.215 -3.191 -3.191 69 1HG PRO 11 HG2 PRO 11 7.788 -1.538 -1.538 70 2HG PRO 11 HG1 PRO 11 8.188 -3.264 -3.264 71 1HD PRO 11 HD2 PRO 11 5.653 -2.165 -2.165 72 2HD PRO 11 HD1 PRO 11 6.156 -3.843 -3.843 73 H GLY 12 HN GLY 12 5.551 -0.639 -0.639 74 1HA GLY 12 HA2 GLY 12 6.907 1.964 1.964 75 2HA GLY 12 HA1 GLY 12 5.442 1.767 1.767 76 H LEU 13 HN LEU 13 5.653 3.462 3.462 77 HA LEU 13 HA LEU 13 4.036 3.989 3.989 78 1HB LEU 13 HB2 LEU 13 2.146 2.799 2.799 79 2HB LEU 13 HB1 LEU 13 2.824 1.909 1.909 80 HG LEU 13 HG LEU 13 3.807 0.703 0.703 81 1HD1 LEU 13 HD11 LEU 13 0.992 1.631 1.631 82 2HD1 LEU 13 HD13 LEU 13 1.321 -0.012 -0.012 83 3HD1 LEU 13 HD12 LEU 13 2.127 1.354 1.354 84 1HD2 LEU 13 HD23 LEU 13 2.447 0.006 0.006 85 2HD2 LEU 13 HD22 LEU 13 3.472 -1.002 -1.002 86 3HD2 LEU 13 HD21 LEU 13 1.745 -0.872 -0.872 87 H ASP 14 HN ASP 14 6.518 1.805 1.805 88 HA ASP 14 HA ASP 14 6.422 0.962 0.962 89 1HB ASP 14 HB2 ASP 14 8.945 1.566 1.566 90 2HB ASP 14 HB1 ASP 14 8.682 0.329 0.329 91 H GLY 15 HN GLY 15 7.105 3.887 3.887 92 1HA GLY 15 HA2 GLY 15 7.333 6.052 6.052 93 2HA GLY 15 HA1 GLY 15 7.530 5.279 5.279 94 H GLY 16 HN GLY 16 9.370 5.978 5.978 95 1HA GLY 16 HA2 GLY 16 11.695 6.195 6.195 96 2HA GLY 16 HA1 GLY 16 11.883 5.157 5.157 97 H GLU 17 HN GLU 17 11.949 6.146 6.146 98 HA GLU 17 HA GLU 17 12.807 8.995 8.995 99 1HB GLU 17 HB2 GLU 17 13.515 6.718 6.718 100 2HB GLU 17 HB1 GLU 17 13.805 8.366 8.366 101 1HG GLU 17 HG2 GLU 17 15.298 8.779 8.779 102 2HG GLU 17 HG1 GLU 17 14.756 7.345 7.345 103 H CYS 18 HN CYS 18 12.065 10.498 10.498 104 HA CYS 18 HA CYS 18 9.461 9.936 9.936 105 1HB CYS 18 HB2 CYS 18 11.011 12.402 12.402 106 2HB CYS 18 HB1 CYS 18 9.969 12.461 12.461 107 HG CYS 18 HG CYS 18 8.944 12.697 12.697 108 H PHE 19 HN PHE 19 12.759 10.090 10.090 109 HA PHE 19 HA PHE 19 12.105 10.670 10.670 110 1HB PHE 19 HB2 PHE 19 14.705 10.268 10.268 111 2HB PHE 19 HB1 PHE 19 14.630 10.379 10.379 112 HD1 PHE 19 HD1 PHE 19 12.953 12.062 12.062 113 HD2 PHE 19 HD2 PHE 19 15.067 12.536 12.536 114 HE1 PHE 19 HE1 PHE 19 12.688 14.500 14.500 115 HE2 PHE 19 HE2 PHE 19 14.809 15.001 15.001 116 HZ PHE 19 HZ PHE 19 13.607 15.964 15.964 117 H GLN 20 HN GLN 20 11.531 8.109 8.109 118 HA GLN 20 HA GLN 20 12.732 6.152 6.152 119 1HB GLN 20 HB2 GLN 20 11.771 6.061 6.061 120 2HB GLN 20 HB1 GLN 20 11.087 4.769 4.769 121 1HG GLN 20 HG2 GLN 20 13.797 4.897 4.897 122 2HG GLN 20 HG1 GLN 20 13.786 5.049 5.049 123 1HE2 GLN 20 HE22 GLN 20 13.769 1.432 1.432 124 2HE2 GLN 20 HE21 GLN 20 14.853 2.737 2.737 125 HA PRO 21 HA PRO 21 8.987 6.285 6.285 126 1HB PRO 21 HB2 PRO 21 9.076 3.759 3.759 127 2HB PRO 21 HB1 PRO 21 10.032 5.133 5.133 128 1HG PRO 21 HG2 PRO 21 10.907 2.801 2.801 129 2HG PRO 21 HG1 PRO 21 11.829 3.738 3.738 130 1HD PRO 21 HD2 PRO 21 12.058 4.049 4.049 131 2HD PRO 21 HD1 PRO 21 12.505 5.291 5.291 132 H SER 22 HN SER 22 6.909 5.999 5.999 133 HA SER 22 HA SER 22 6.538 3.794 3.794 134 1HB SER 22 HB2 SER 22 5.948 6.463 6.463 135 2HB SER 22 HB1 SER 22 4.402 5.743 5.743 136 HG SER 22 HG SER 22 5.052 4.177 4.177 137 H LYS 23 HN LYS 23 5.721 1.995 1.995 138 HA LYS 23 HA LYS 23 3.288 2.301 2.301 139 1HB LYS 23 HB2 LYS 23 5.527 0.615 0.615 140 2HB LYS 23 HB1 LYS 23 4.135 1.280 1.280 141 1HG LYS 23 HG2 LYS 23 5.051 3.547 3.547 142 2HG LYS 23 HG1 LYS 23 6.433 2.908 2.908 143 1HD LYS 23 HD2 LYS 23 6.712 3.373 3.373 144 2HD LYS 23 HD1 LYS 23 7.310 1.842 1.842 145 1HE LYS 23 HE2 LYS 23 5.488 0.627 0.627 146 2HE LYS 23 HE1 LYS 23 4.512 2.079 2.079 147 1HZ LYS 23 HZ1 LYS 23 6.289 2.808 2.808 148 2HZ LYS 23 HZ3 LYS 23 6.853 1.208 1.208 149 3HZ LYS 23 HZ2 LYS 23 5.277 1.539 1.539 150 H PHE 24 HN PHE 24 1.929 0.602 0.602 151 HA PHE 24 HA PHE 24 3.042 -1.946 -1.946 152 1HB PHE 24 HB2 PHE 24 0.591 -1.495 -1.495 153 2HB PHE 24 HB1 PHE 24 2.197 -1.754 -1.754 154 HD1 PHE 24 HD2 PHE 24 3.799 0.362 0.362 155 HD2 PHE 24 HD1 PHE 24 -0.482 0.477 0.477 156 HE1 PHE 24 HE2 PHE 24 3.906 2.728 2.728 157 HE2 PHE 24 HE1 PHE 24 -0.377 2.849 2.849 158 HZ PHE 24 HZ PHE 24 1.833 3.960 3.960 159 H LYS 25 HN LYS 25 1.510 -3.749 -3.749 160 HA LYS 25 HA LYS 25 -0.511 -3.169 -3.169 161 1HB LYS 25 HB2 LYS 25 1.276 -5.561 -5.561 162 2HB LYS 25 HB1 LYS 25 -0.149 -5.666 -5.666 163 1HG LYS 25 HG2 LYS 25 0.702 -4.035 -4.035 164 2HG LYS 25 HG1 LYS 25 1.969 -3.545 -3.545 165 1HD LYS 25 HD2 LYS 25 3.019 -4.932 -4.932 166 2HD LYS 25 HD1 LYS 25 2.894 -5.904 -5.904 167 1HE LYS 25 HE2 LYS 25 2.184 -7.249 -7.249 168 2HE LYS 25 HE1 LYS 25 0.779 -6.895 -6.895 169 1HZ LYS 25 HZ3 LYS 25 1.522 -5.196 -5.196 170 2HZ LYS 25 HZ2 LYS 25 0.531 -6.564 -6.564 171 3HZ LYS 25 HZ1 LYS 25 0.035 -5.277 -5.277 172 H ILE 26 HN ILE 26 -2.593 -4.059 -4.059 173 HA ILE 26 HA ILE 26 -3.029 -5.192 -5.192 174 HB ILE 26 HB ILE 26 -5.157 -3.909 -3.909 175 1HG1 ILE 26 HG12 ILE 26 -2.941 -2.620 -2.620 176 2HG1 ILE 26 HG11 ILE 26 -3.532 -2.198 -2.198 177 1HG2 ILE 26 HG22 ILE 26 -4.690 -4.170 -4.170 178 2HG2 ILE 26 HG21 ILE 26 -6.088 -3.402 -3.402 179 3HG2 ILE 26 HG23 ILE 26 -5.819 -5.132 -5.132 180 1HD1 ILE 26 HD13 ILE 26 -5.773 -1.912 -1.912 181 2HD1 ILE 26 HD12 ILE 26 -4.456 -1.284 -1.284 182 3HD1 ILE 26 HD11 ILE 26 -4.760 -0.603 -0.603 183 H HIS 27 HN HIS 27 -4.541 -6.872 -6.872 184 HA HIS 27 HA HIS 27 -5.503 -8.197 -8.197 185 1HB HIS 27 HB2 HIS 27 -4.207 -9.860 -9.860 186 2HB HIS 27 HB1 HIS 27 -4.494 -10.265 -10.265 187 HD1 HIS 27 HD1 HIS 27 -2.569 -7.522 -7.522 188 HD2 HIS 27 HD2 HIS 27 -2.132 -10.097 -10.097 189 HE1 HIS 27 HE1 HIS 27 -0.306 -7.029 -7.029 190 H ALA 28 HN ALA 28 -7.625 -8.518 -8.518 191 HA ALA 28 HA ALA 28 -8.654 -8.903 -8.903 192 1HB ALA 28 HB2 ALA 28 -9.730 -7.711 -7.711 193 2HB ALA 28 HB1 ALA 28 -10.882 -8.595 -8.595 194 3HB ALA 28 HB3 ALA 28 -9.990 -7.236 -7.236 195 H VAL 29 HN VAL 29 -9.485 -10.896 -10.896 196 HA VAL 29 HA VAL 29 -10.033 -12.829 -12.829 197 HB VAL 29 HB VAL 29 -8.677 -13.175 -13.175 198 1HG1 VAL 29 HG13 VAL 29 -10.439 -15.247 -15.247 199 2HG1 VAL 29 HG12 VAL 29 -9.166 -15.668 -15.668 200 3HG1 VAL 29 HG11 VAL 29 -10.531 -14.683 -14.683 201 1HG2 VAL 29 HG23 VAL 29 -8.377 -14.184 -14.184 202 2HG2 VAL 29 HG22 VAL 29 -7.251 -13.200 -13.200 203 3HG2 VAL 29 HG21 VAL 29 -7.481 -14.903 -14.903 204 H ASP 30 HN ASP 30 -12.097 -13.377 -13.377 205 HA ASP 30 HA ASP 30 -13.973 -12.617 -12.617 206 1HB ASP 30 HB2 ASP 30 -15.556 -12.399 -12.399 207 2HB ASP 30 HB1 ASP 30 -14.115 -12.197 -12.197 208 HA PRO 31 HA PRO 31 -14.930 -16.721 -16.721 209 1HB PRO 31 HB2 PRO 31 -17.655 -16.967 -16.967 210 2HB PRO 31 HB1 PRO 31 -16.862 -16.018 -16.018 211 1HG PRO 31 HG2 PRO 31 -18.291 -15.069 -15.069 212 2HG PRO 31 HG1 PRO 31 -18.028 -14.238 -14.238 213 1HD PRO 31 HD2 PRO 31 -16.598 -13.794 -13.794 214 2HD PRO 31 HD1 PRO 31 -16.151 -13.191 -13.191 215 H ASP 32 HN ASP 32 -14.733 -16.232 -16.232 216 HA ASP 32 HA ASP 32 -15.909 -18.911 -18.911 217 1HB ASP 32 HB2 ASP 32 -16.882 -16.850 -16.850 218 2HB ASP 32 HB1 ASP 32 -15.324 -16.712 -16.712 219 H GLY 33 HN GLY 33 -13.088 -17.623 -17.623 220 1HA GLY 33 HA2 GLY 33 -10.868 -18.341 -18.341 221 2HA GLY 33 HA1 GLY 33 -11.502 -19.601 -19.601 222 H VAL 34 HN VAL 34 -12.138 -16.161 -16.161 223 HA VAL 34 HA VAL 34 -10.449 -15.874 -15.874 224 HB VAL 34 HB VAL 34 -13.315 -15.010 -15.010 225 1HG1 VAL 34 HG11 VAL 34 -10.992 -15.360 -15.360 226 2HG1 VAL 34 HG13 VAL 34 -12.387 -16.229 -16.229 227 3HG1 VAL 34 HG12 VAL 34 -12.498 -14.497 -14.497 228 1HG2 VAL 34 HG21 VAL 34 -12.305 -17.857 -17.857 229 2HG2 VAL 34 HG23 VAL 34 -13.667 -17.260 -17.260 230 3HG2 VAL 34 HG22 VAL 34 -13.773 -17.311 -17.311 231 H HIS 35 HN HIS 35 -10.869 -13.492 -13.492 232 HA HIS 35 HA HIS 35 -10.569 -11.751 -11.751 233 1HB HIS 35 HB2 HIS 35 -10.128 -11.483 -11.483 234 2HB HIS 35 HB1 HIS 35 -10.340 -10.020 -10.020 235 HD1 HIS 35 HD1 HIS 35 -7.931 -12.744 -12.744 236 HD2 HIS 35 HD2 HIS 35 -8.340 -9.670 -9.670 237 HE1 HIS 35 HE1 HIS 35 -5.682 -12.514 -12.514 238 H ARG 36 HN ARG 36 -13.035 -12.688 -12.688 239 HA ARG 36 HA ARG 36 -15.313 -12.186 -12.186 240 1HB ARG 36 HB2 ARG 36 -14.162 -10.105 -10.105 241 2HB ARG 36 HB1 ARG 36 -14.587 -9.300 -9.300 242 1HG ARG 36 HG2 ARG 36 -16.868 -10.759 -10.759 243 2HG ARG 36 HG1 ARG 36 -16.308 -10.087 -10.087 244 1HD ARG 36 HD2 ARG 36 -16.793 -7.947 -7.947 245 2HD ARG 36 HD1 ARG 36 -16.210 -8.199 -8.199 246 HE ARG 36 HE ARG 36 -18.531 -9.612 -9.612 247 1HH1 ARG 36 HH21 ARG 36 -18.544 -7.271 -7.271 248 2HH1 ARG 36 HH22 ARG 36 -19.739 -6.256 -6.256 249 1HH2 ARG 36 HH11 ARG 36 -19.721 -7.976 -7.976 250 2HH2 ARG 36 HH12 ARG 36 -20.407 -6.657 -6.657 251 H THR 37 HN THR 37 -14.948 -13.223 -13.223 252 HA THR 37 HA THR 37 -15.241 -13.116 -13.116 253 HB THR 37 HB THR 37 -17.274 -11.016 -11.016 254 HG1 THR 37 HG1 THR 37 -17.420 -11.650 -11.650 255 1HG2 THR 37 HG22 THR 37 -17.176 -13.957 -13.957 256 2HG2 THR 37 HG21 THR 37 -18.680 -13.037 -13.037 257 3HG2 THR 37 HG23 THR 37 -17.350 -12.592 -12.592 258 H ASP 38 HN ASP 38 -13.122 -11.999 -11.999 259 HA ASP 38 HA ASP 38 -12.509 -9.337 -9.337 260 1HB ASP 38 HB2 ASP 38 -11.402 -11.504 -11.504 261 2HB ASP 38 HB1 ASP 38 -11.707 -10.343 -10.343 262 H GLY 39 HN GLY 39 -12.356 -7.672 -7.672 263 1HA GLY 39 HA2 GLY 39 -13.379 -6.811 -6.811 264 2HA GLY 39 HA1 GLY 39 -14.847 -7.689 -7.689 265 H GLY 40 HN GLY 40 -15.180 -6.965 -6.965 266 1HA GLY 40 HA2 GLY 40 -15.029 -4.018 -4.018 267 2HA GLY 40 HA1 GLY 40 -16.648 -4.719 -4.719 268 H ASP 41 HN ASP 41 -13.559 -4.889 -4.889 269 HA ASP 41 HA ASP 41 -14.993 -6.044 -6.044 270 1HB ASP 41 HB2 ASP 41 -12.100 -5.377 -5.377 271 2HB ASP 41 HB1 ASP 41 -12.630 -5.747 -5.747 272 H GLY 42 HN GLY 42 -15.646 -4.830 -4.830 273 1HA GLY 42 HA2 GLY 42 -15.676 -1.946 -1.946 274 2HA GLY 42 HA1 GLY 42 -16.182 -2.873 -2.873 275 H PHE 43 HN PHE 43 -13.113 -2.306 -2.306 276 HA PHE 43 HA PHE 43 -11.719 -2.203 -2.203 277 1HB PHE 43 HB2 PHE 43 -11.096 -3.278 -3.278 278 2HB PHE 43 HB1 PHE 43 -9.970 -1.955 -1.955 279 HD1 PHE 43 HD2 PHE 43 -9.874 -2.134 -2.134 280 HD2 PHE 43 HD1 PHE 43 -9.647 -5.129 -5.129 281 HE1 PHE 43 HE2 PHE 43 -8.530 -3.595 -3.595 282 HE2 PHE 43 HE1 PHE 43 -8.293 -6.567 -6.567 283 HZ PHE 43 HZ PHE 43 -7.740 -5.802 -5.802 284 H VAL 44 HN VAL 44 -11.574 -0.182 -0.182 285 HA VAL 44 HA VAL 44 -10.884 2.021 2.021 286 HB VAL 44 HB VAL 44 -12.819 2.993 2.993 287 1HG1 VAL 44 HG12 VAL 44 -12.787 0.816 0.816 288 2HG1 VAL 44 HG11 VAL 44 -13.742 2.237 2.237 289 3HG1 VAL 44 HG13 VAL 44 -14.075 1.337 1.337 290 1HG2 VAL 44 HG21 VAL 44 -10.970 4.171 4.171 291 2HG2 VAL 44 HG23 VAL 44 -12.629 4.416 4.416 292 3HG2 VAL 44 HG22 VAL 44 -11.580 3.282 3.282 293 H VAL 45 HN VAL 45 -8.789 2.525 2.525 294 HA VAL 45 HA VAL 45 -7.729 2.437 2.437 295 HB VAL 45 HB VAL 45 -6.072 2.062 2.062 296 1HG1 VAL 45 HG11 VAL 45 -5.509 2.349 2.349 297 2HG1 VAL 45 HG13 VAL 45 -5.184 0.667 0.667 298 3HG1 VAL 45 HG12 VAL 45 -4.375 1.966 1.966 299 1HG2 VAL 45 HG21 VAL 45 -8.073 0.315 0.315 300 2HG2 VAL 45 HG23 VAL 45 -6.714 -0.085 -0.085 301 3HG2 VAL 45 HG22 VAL 45 -6.597 -0.350 -0.350 302 H THR 46 HN THR 46 -6.289 4.141 4.141 303 HA THR 46 HA THR 46 -5.647 6.198 6.198 304 HB THR 46 HB THR 46 -6.988 7.685 7.685 305 HG1 THR 46 HG1 THR 46 -9.142 6.692 6.692 306 1HG2 THR 46 HG21 THR 46 -7.419 7.094 7.094 307 2HG2 THR 46 HG23 THR 46 -8.513 8.157 8.157 308 3HG2 THR 46 HG22 THR 46 -6.804 8.568 8.568 309 H ILE 47 HN ILE 47 -3.865 7.281 7.281 310 HA ILE 47 HA ILE 47 -3.027 7.173 7.173 311 HB ILE 47 HB ILE 47 -1.436 6.649 6.649 312 1HG1 ILE 47 HG12 ILE 47 -2.004 5.301 5.301 313 2HG1 ILE 47 HG11 ILE 47 -1.710 4.599 4.599 314 1HG2 ILE 47 HG23 ILE 47 -0.310 7.730 7.730 315 2HG2 ILE 47 HG22 ILE 47 0.650 7.106 7.106 316 3HG2 ILE 47 HG21 ILE 47 -0.302 8.563 8.563 317 1HD1 ILE 47 HD11 ILE 47 0.721 5.382 5.382 318 2HD1 ILE 47 HD13 ILE 47 0.331 5.633 5.633 319 3HD1 ILE 47 HD12 ILE 47 0.221 4.018 4.018 320 H GLU 48 HN GLU 48 -1.699 8.997 8.997 321 HA GLU 48 HA GLU 48 -1.173 11.118 11.118 322 1HB GLU 48 HB2 GLU 48 -2.788 12.742 12.742 323 2HB GLU 48 HB1 GLU 48 -3.352 11.881 11.881 324 1HG GLU 48 HG2 GLU 48 -4.730 10.536 10.536 325 2HG GLU 48 HG1 GLU 48 -3.539 10.313 10.313 326 H GLY 49 HN GLY 49 -0.068 12.886 12.886 327 1HA GLY 49 HA2 GLY 49 0.495 12.921 12.921 328 2HA GLY 49 HA1 GLY 49 1.862 12.454 12.454 329 HA PRO 50 HA PRO 50 1.676 17.088 17.088 330 1HB PRO 50 HB2 PRO 50 4.247 17.424 17.424 331 2HB PRO 50 HB1 PRO 50 2.837 17.270 17.270 332 1HG PRO 50 HG2 PRO 50 4.958 15.264 15.264 333 2HG PRO 50 HG1 PRO 50 3.960 15.434 15.434 334 1HD PRO 50 HD2 PRO 50 3.557 13.541 13.541 335 2HD PRO 50 HD1 PRO 50 2.377 13.975 13.975 336 H ALA 51 HN ALA 51 1.716 16.284 16.284 337 HA ALA 51 HA ALA 51 4.148 17.358 17.358 338 1HB ALA 51 HB2 ALA 51 3.842 14.546 14.546 339 2HB ALA 51 HB1 ALA 51 3.621 14.885 14.885 340 3HB ALA 51 HB3 ALA 51 5.101 15.389 15.389 341 HA PRO 52 HA PRO 52 1.365 18.311 18.311 342 1HB PRO 52 HB2 PRO 52 2.761 17.672 17.672 343 2HB PRO 52 HB1 PRO 52 3.138 19.070 19.070 344 1HG PRO 52 HG2 PRO 52 4.596 16.481 16.481 345 2HG PRO 52 HG1 PRO 52 5.210 18.074 18.074 346 1HD PRO 52 HD2 PRO 52 4.611 15.941 15.941 347 2HD PRO 52 HD1 PRO 52 4.907 17.629 17.629 348 H VAL 53 HN VAL 53 2.930 15.242 15.242 349 HA VAL 53 HA VAL 53 0.356 14.294 14.294 350 HB VAL 53 HB VAL 53 2.942 12.732 12.732 351 1HG1 VAL 53 HG12 VAL 53 0.891 11.551 11.551 352 2HG1 VAL 53 HG11 VAL 53 0.619 12.767 12.767 353 3HG1 VAL 53 HG13 VAL 53 2.025 11.707 11.707 354 1HG2 VAL 53 HG23 VAL 53 2.881 15.227 15.227 355 2HG2 VAL 53 HG22 VAL 53 3.873 13.920 13.920 356 3HG2 VAL 53 HG21 VAL 53 2.309 14.281 14.281 357 H ASP 54 HN ASP 54 -0.582 14.267 14.267 358 HA ASP 54 HA ASP 54 0.494 12.127 12.127 359 1HB ASP 54 HB2 ASP 54 -1.809 14.052 14.052 360 2HB ASP 54 HB1 ASP 54 -1.260 12.881 12.881 361 HA PRO 55 HA PRO 55 -3.780 10.271 10.271 362 1HB PRO 55 HB2 PRO 55 -5.265 11.445 11.445 363 2HB PRO 55 HB1 PRO 55 -5.371 11.919 11.919 364 1HG PRO 55 HG2 PRO 55 -4.095 13.363 13.363 365 2HG PRO 55 HG1 PRO 55 -4.727 14.004 14.004 366 1HD PRO 55 HD2 PRO 55 -1.990 13.526 13.526 367 2HD PRO 55 HD1 PRO 55 -2.655 13.959 13.959 368 H VAL 56 HN VAL 56 -2.530 8.552 8.552 369 HA VAL 56 HA VAL 56 -2.600 8.614 8.614 370 HB VAL 56 HB VAL 56 -0.354 7.436 7.436 371 1HG1 VAL 56 HG11 VAL 56 -0.888 8.116 8.116 372 2HG1 VAL 56 HG13 VAL 56 0.768 7.954 7.954 373 3HG1 VAL 56 HG12 VAL 56 -0.344 6.589 6.589 374 1HG2 VAL 56 HG23 VAL 56 -0.895 10.269 10.269 375 2HG2 VAL 56 HG22 VAL 56 0.105 9.611 9.611 376 3HG2 VAL 56 HG21 VAL 56 0.734 9.688 9.688 377 H MET 57 HN MET 57 -4.352 7.092 7.092 378 HA MET 57 HA MET 57 -3.446 4.369 4.369 379 1HB MET 57 HB2 MET 57 -5.426 3.791 3.791 380 2HB MET 57 HB1 MET 57 -4.886 5.321 5.321 381 1HG MET 57 HG2 MET 57 -6.931 6.150 6.150 382 2HG MET 57 HG1 MET 57 -6.525 6.032 6.032 383 1HE MET 57 HE1 MET 57 -8.947 5.803 5.803 384 2HE MET 57 HE3 MET 57 -7.828 4.784 4.784 385 3HE MET 57 HE2 MET 57 -9.406 4.160 4.160 386 H VAL 58 HN VAL 58 -3.978 2.862 2.862 387 HA VAL 58 HA VAL 58 -5.957 3.645 3.645 388 HB VAL 58 HB VAL 58 -3.786 1.910 1.910 389 1HG1 VAL 58 HG13 VAL 58 -5.286 4.354 4.354 390 2HG1 VAL 58 HG12 VAL 58 -3.818 3.865 3.865 391 3HG1 VAL 58 HG11 VAL 58 -5.193 2.765 2.765 392 1HG2 VAL 58 HG23 VAL 58 -3.207 4.647 4.647 393 2HG2 VAL 58 HG22 VAL 58 -2.265 3.164 3.164 394 3HG2 VAL 58 HG21 VAL 58 -2.282 4.034 4.034 395 H ASP 59 HN ASP 59 -6.975 1.819 1.819 396 HA ASP 59 HA ASP 59 -6.828 -0.725 -0.725 397 1HB ASP 59 HB2 ASP 59 -8.945 0.207 0.207 398 2HB ASP 59 HB1 ASP 59 -9.196 0.779 0.779 399 H ASN 60 HN ASN 60 -6.266 -2.464 -2.464 400 HA ASN 60 HA ASN 60 -6.112 -2.097 -2.097 401 1HB ASN 60 HB2 ASN 60 -5.212 -4.351 -4.351 402 2HB ASN 60 HB1 ASN 60 -4.957 -4.318 -4.318 403 1HD2 ASN 60 HD22 ASN 60 -2.174 -2.617 -2.617 404 2HD2 ASN 60 HD21 ASN 60 -3.152 -3.930 -3.930 405 H GLY 61 HN GLY 61 -8.413 -3.338 -3.338 406 1HA GLY 61 HA2 GLY 61 -10.445 -4.414 -4.414 407 2HA GLY 61 HA1 GLY 61 -10.028 -4.309 -4.309 408 H ASP 62 HN ASP 62 -7.585 -5.711 -5.711 409 HA ASP 62 HA ASP 62 -8.416 -8.422 -8.422 410 1HB ASP 62 HB2 ASP 62 -6.012 -8.985 -8.985 411 2HB ASP 62 HB1 ASP 62 -6.319 -7.589 -7.589 412 H GLY 63 HN GLY 63 -9.357 -7.252 -7.252 413 1HA GLY 63 HA2 GLY 63 -9.689 -7.940 -7.940 414 2HA GLY 63 HA1 GLY 63 -8.751 -9.376 -9.376 415 H THR 64 HN THR 64 -6.875 -6.760 -6.760 416 HA THR 64 HA THR 64 -5.671 -6.596 -6.596 417 HB THR 64 HB THR 64 -3.442 -6.473 -6.473 418 HG1 THR 64 HG1 THR 64 -3.475 -7.404 -7.404 419 1HG2 THR 64 HG21 THR 64 -4.988 -8.651 -8.651 420 2HG2 THR 64 HG23 THR 64 -4.067 -9.223 -9.223 421 3HG2 THR 64 HG22 THR 64 -3.234 -8.467 -8.467 422 H TYR 65 HN TYR 65 -4.784 -4.549 -4.549 423 HA TYR 65 HA TYR 65 -5.199 -2.456 -2.456 424 1HB TYR 65 HB2 TYR 65 -5.791 -2.341 -2.341 425 2HB TYR 65 HB1 TYR 65 -5.814 -0.929 -0.929 426 HD1 TYR 65 HD1 TYR 65 -7.070 -4.466 -4.466 427 HD2 TYR 65 HD2 TYR 65 -7.879 -0.344 -0.344 428 HE1 TYR 65 HE1 TYR 65 -9.296 -5.089 -5.089 429 HE2 TYR 65 HE2 TYR 65 -10.121 -0.960 -0.960 430 HH TYR 65 HH TYR 65 -11.028 -3.730 -3.730 431 H ASP 66 HN ASP 66 -3.747 -0.634 -0.634 432 HA ASP 66 HA ASP 66 -1.294 -1.143 -1.143 433 1HB ASP 66 HB2 ASP 66 -1.435 -0.210 -0.210 434 2HB ASP 66 HB1 ASP 66 0.043 -0.315 -0.315 435 H VAL 67 HN VAL 67 -0.690 0.609 0.609 436 HA VAL 67 HA VAL 67 -1.747 3.257 3.257 437 HB VAL 67 HB VAL 67 -2.309 3.801 3.801 438 1HG1 VAL 67 HG13 VAL 67 -3.240 1.364 1.364 439 2HG1 VAL 67 HG12 VAL 67 -3.026 1.083 1.083 440 3HG1 VAL 67 HG11 VAL 67 -4.070 2.389 2.389 441 1HG2 VAL 67 HG21 VAL 67 -0.510 1.524 1.524 442 2HG2 VAL 67 HG23 VAL 67 -0.380 3.220 3.220 443 3HG2 VAL 67 HG22 VAL 67 -1.662 2.216 2.216 444 H GLU 68 HN GLU 68 -0.212 5.041 5.041 445 HA GLU 68 HA GLU 68 2.421 4.382 4.382 446 1HB GLU 68 HB2 GLU 68 2.379 5.420 5.420 447 2HB GLU 68 HB1 GLU 68 3.701 4.650 4.650 448 1HG GLU 68 HG2 GLU 68 2.913 2.987 2.987 449 2HG GLU 68 HG1 GLU 68 2.212 2.542 2.542 450 H PHE 69 HN PHE 69 3.202 6.160 6.160 451 HA PHE 69 HA PHE 69 2.685 8.819 8.819 452 1HB PHE 69 HB2 PHE 69 2.194 9.894 9.894 453 2HB PHE 69 HB1 PHE 69 1.087 8.532 8.532 454 HD1 PHE 69 HD1 PHE 69 2.117 6.234 6.234 455 HD2 PHE 69 HD2 PHE 69 3.289 10.186 10.186 456 HE1 PHE 69 HE1 PHE 69 2.963 5.344 5.344 457 HE2 PHE 69 HE2 PHE 69 4.135 9.289 9.289 458 HZ PHE 69 HZ PHE 69 3.953 6.848 6.848 459 H GLU 70 HN GLU 70 4.454 10.374 10.374 460 HA GLU 70 HA GLU 70 6.780 9.218 9.218 461 1HB GLU 70 HB2 GLU 70 8.262 9.507 9.507 462 2HB GLU 70 HB1 GLU 70 6.991 8.323 8.323 463 1HG GLU 70 HG2 GLU 70 6.188 9.533 9.533 464 2HG GLU 70 HG1 GLU 70 6.066 10.971 10.971 465 HA PRO 71 HA PRO 71 6.658 13.731 13.731 466 1HB PRO 71 HB2 PRO 71 7.465 13.581 13.581 467 2HB PRO 71 HB1 PRO 71 5.780 13.398 13.398 468 1HG PRO 71 HG2 PRO 71 7.691 11.312 11.312 469 2HG PRO 71 HG1 PRO 71 5.920 11.313 11.313 470 1HD PRO 71 HD2 PRO 71 7.555 9.939 9.939 471 2HD PRO 71 HD1 PRO 71 5.794 10.159 10.159 472 H LYS 72 HN LYS 72 8.469 15.169 15.169 473 HA LYS 72 HA LYS 72 11.203 14.014 14.014 474 1HB LYS 72 HB2 LYS 72 11.644 16.444 16.444 475 2HB LYS 72 HB1 LYS 72 11.159 15.089 15.089 476 1HG LYS 72 HG2 LYS 72 8.873 15.804 15.804 477 2HG LYS 72 HG1 LYS 72 9.154 16.967 16.967 478 1HD LYS 72 HD2 LYS 72 9.221 18.367 18.367 479 2HD LYS 72 HD1 LYS 72 10.928 17.951 17.951 480 1HE LYS 72 HE2 LYS 72 10.308 15.940 15.940 481 2HE LYS 72 HE1 LYS 72 8.909 16.930 16.930 482 1HZ LYS 72 HZ2 LYS 72 11.646 18.043 18.043 483 2HZ LYS 72 HZ1 LYS 72 11.016 17.204 17.204 484 3HZ LYS 72 HZ3 LYS 72 10.253 18.615 18.615 485 H GLU 73 HN GLU 73 9.674 14.785 14.785 486 HA GLU 73 HA GLU 73 11.751 16.534 16.534 487 1HB GLU 73 HB2 GLU 73 10.128 18.140 18.140 488 2HB GLU 73 HB1 GLU 73 9.999 18.100 18.100 489 1HG GLU 73 HG2 GLU 73 8.130 16.413 16.413 490 2HG GLU 73 HG1 GLU 73 8.172 16.747 16.747 491 H ALA 74 HN ALA 74 10.028 16.958 16.958 492 HA ALA 74 HA ALA 74 10.242 14.209 14.209 493 1HB ALA 74 HB1 ALA 74 11.115 16.567 16.567 494 2HB ALA 74 HB3 ALA 74 9.514 16.467 16.467 495 3HB ALA 74 HB2 ALA 74 10.681 15.171 15.171 496 H GLY 75 HN GLY 75 8.368 13.045 13.045 497 1HA GLY 75 HA2 GLY 75 5.860 14.457 14.457 498 2HA GLY 75 HA1 GLY 75 5.953 13.771 13.771 499 H ASP 76 HN ASP 76 4.047 13.024 13.024 500 HA ASP 76 HA ASP 76 4.844 10.212 10.212 501 1HB ASP 76 HB2 ASP 76 2.848 10.325 10.325 502 2HB ASP 76 HB1 ASP 76 4.208 11.347 11.347 503 H TYR 77 HN TYR 77 3.174 8.626 8.626 504 HA TYR 77 HA TYR 77 1.450 9.600 9.600 505 1HB TYR 77 HB2 TYR 77 2.216 6.727 6.727 506 2HB TYR 77 HB1 TYR 77 1.703 7.556 7.556 507 HD1 TYR 77 HD1 TYR 77 3.430 10.016 10.016 508 HD2 TYR 77 HD2 TYR 77 4.268 5.832 5.832 509 HE1 TYR 77 HE1 TYR 77 5.772 10.424 10.424 510 HE2 TYR 77 HE2 TYR 77 6.609 6.226 6.226 511 HH TYR 77 HH TYR 77 7.690 9.403 9.403 512 H VAL 78 HN VAL 78 -0.643 9.167 9.167 513 HA VAL 78 HA VAL 78 -1.683 7.448 7.448 514 HB VAL 78 HB VAL 78 -2.578 9.578 9.578 515 1HG1 VAL 78 HG11 VAL 78 -2.679 9.809 9.809 516 2HG1 VAL 78 HG13 VAL 78 -3.682 10.856 10.856 517 3HG1 VAL 78 HG12 VAL 78 -1.927 10.895 10.895 518 1HG2 VAL 78 HG23 VAL 78 -4.236 7.533 7.533 519 2HG2 VAL 78 HG22 VAL 78 -4.738 8.938 8.938 520 3HG2 VAL 78 HG21 VAL 78 -4.852 8.966 8.966 521 H ILE 79 HN ILE 79 -2.720 5.667 5.667 522 HA ILE 79 HA ILE 79 -3.148 5.507 5.507 523 HB ILE 79 HB ILE 79 -3.181 2.992 2.992 524 1HG1 ILE 79 HG12 ILE 79 -0.484 3.294 3.294 525 2HG1 ILE 79 HG11 ILE 79 -0.945 4.939 4.939 526 1HG2 ILE 79 HG22 ILE 79 -3.137 3.333 3.333 527 2HG2 ILE 79 HG21 ILE 79 -1.463 3.854 3.854 528 3HG2 ILE 79 HG23 ILE 79 -1.935 2.217 2.217 529 1HD1 ILE 79 HD13 ILE 79 -2.432 3.726 3.726 530 2HD1 ILE 79 HD12 ILE 79 -1.289 2.407 2.407 531 3HD1 ILE 79 HD11 ILE 79 -0.716 3.984 3.984 532 H ASN 80 HN ASN 80 -4.844 4.286 4.286 533 HA ASN 80 HA ASN 80 -7.169 3.769 3.769 534 1HB ASN 80 HB2 ASN 80 -7.544 5.439 5.439 535 2HB ASN 80 HB1 ASN 80 -8.624 5.233 5.233 536 1HD2 ASN 80 HD22 ASN 80 -5.898 8.200 8.200 537 2HD2 ASN 80 HD21 ASN 80 -6.136 7.234 7.234 538 H LEU 81 HN LEU 81 -7.653 1.730 1.730 539 HA LEU 81 HA LEU 81 -7.765 1.053 1.053 540 1HB LEU 81 HB2 LEU 81 -5.669 0.096 0.096 541 2HB LEU 81 HB1 LEU 81 -6.417 -0.539 -0.539 542 HG LEU 81 HG LEU 81 -5.945 -2.058 -2.058 543 1HD1 LEU 81 HD13 LEU 81 -7.596 -2.157 -2.157 544 2HD1 LEU 81 HD12 LEU 81 -8.465 -2.931 -2.931 545 3HD1 LEU 81 HD11 LEU 81 -6.854 -3.493 -3.493 546 1HD2 LEU 81 HD21 LEU 81 -7.826 -0.389 -0.389 547 2HD2 LEU 81 HD23 LEU 81 -7.512 -2.030 -2.030 548 3HD2 LEU 81 HD22 LEU 81 -8.826 -1.715 -1.715 549 H THR 82 HN THR 82 -9.796 0.330 0.330 550 HA THR 82 HA THR 82 -11.196 -1.069 -1.069 551 HB THR 82 HB THR 82 -13.264 0.229 0.229 552 HG1 THR 82 HG1 THR 82 -11.421 1.126 1.126 553 1HG2 THR 82 HG22 THR 82 -11.072 1.013 1.013 554 2HG2 THR 82 HG21 THR 82 -12.084 2.355 2.355 555 3HG2 THR 82 HG23 THR 82 -12.811 0.981 0.981 556 H LEU 83 HN LEU 83 -12.312 -2.848 -2.848 557 HA LEU 83 HA LEU 83 -13.191 -3.219 -3.219 558 1HB LEU 83 HB2 LEU 83 -10.951 -4.375 -4.375 559 2HB LEU 83 HB1 LEU 83 -11.758 -5.442 -5.442 560 HG LEU 83 HG LEU 83 -11.558 -6.259 -6.259 561 1HD1 LEU 83 HD13 LEU 83 -13.116 -7.123 -7.123 562 2HD1 LEU 83 HD12 LEU 83 -14.382 -6.171 -6.171 563 3HD1 LEU 83 HD11 LEU 83 -13.591 -7.474 -7.474 564 1HD2 LEU 83 HD23 LEU 83 -12.413 -3.942 -3.942 565 2HD2 LEU 83 HD22 LEU 83 -13.094 -5.372 -5.372 566 3HD2 LEU 83 HD21 LEU 83 -14.013 -4.518 -4.518 567 H ASP 84 HN ASP 84 -15.215 -2.694 -2.694 568 HA ASP 84 HA ASP 84 -17.174 -4.413 -4.413 569 1HB ASP 84 HB2 ASP 84 -15.397 -5.024 -5.024 570 2HB ASP 84 HB1 ASP 84 -17.143 -5.199 -5.199 571 H GLY 85 HN GLY 85 -15.465 -1.926 -1.926 572 1HA GLY 85 HA2 GLY 85 -16.977 0.151 0.151 573 2HA GLY 85 HA1 GLY 85 -18.015 -0.910 -0.910 574 H ASP 86 HN ASP 86 -14.812 -1.821 -1.821 575 HA ASP 86 HA ASP 86 -14.556 0.096 0.096 576 1HB ASP 86 HB2 ASP 86 -15.059 -2.735 -2.735 577 2HB ASP 86 HB1 ASP 86 -13.450 -2.403 -2.403 578 H ASN 87 HN ASN 87 -12.159 -0.241 -0.241 579 HA ASN 87 HA ASN 87 -10.403 -0.277 -0.277 580 1HB ASN 87 HB2 ASN 87 -9.818 0.808 0.808 581 2HB ASN 87 HB1 ASN 87 -8.825 1.027 1.027 582 1HD2 ASN 87 HD22 ASN 87 -12.211 3.273 3.273 583 2HD2 ASN 87 HD21 ASN 87 -11.921 1.944 1.944 584 H VAL 88 HN VAL 88 -8.410 -1.512 -1.512 585 HA VAL 88 HA VAL 88 -8.671 -3.987 -3.987 586 HB VAL 88 HB VAL 88 -6.575 -2.769 -2.769 587 1HG1 VAL 88 HG13 VAL 88 -5.326 -3.784 -3.784 588 2HG1 VAL 88 HG12 VAL 88 -6.136 -5.314 -5.314 589 3HG1 VAL 88 HG11 VAL 88 -5.038 -4.618 -4.618 590 1HG2 VAL 88 HG22 VAL 88 -8.032 -5.430 -5.430 591 2HG2 VAL 88 HG21 VAL 88 -8.473 -4.049 -4.049 592 3HG2 VAL 88 HG23 VAL 88 -6.954 -4.897 -4.897 593 H ASN 89 HN ASN 89 -6.760 -4.775 -4.775 594 HA ASN 89 HA ASN 89 -6.694 -2.893 -2.893 595 1HB ASN 89 HB2 ASN 89 -6.319 -5.728 -5.728 596 2HB ASN 89 HB1 ASN 89 -5.008 -5.066 -5.066 597 1HD2 ASN 89 HD22 ASN 89 -8.790 -5.205 -5.205 598 2HD2 ASN 89 HD21 ASN 89 -8.488 -5.643 -5.643 599 H GLY 90 HN GLY 90 -5.042 -2.315 -2.315 600 1HA GLY 90 HA2 GLY 90 -2.598 -1.561 -1.561 601 2HA GLY 90 HA1 GLY 90 -2.372 -2.502 -2.502 602 H PHE 91 HN PHE 91 -5.075 -0.417 -0.417 603 HA PHE 91 HA PHE 91 -3.592 1.473 1.473 604 1HB PHE 91 HB2 PHE 91 -6.166 0.084 0.084 605 2HB PHE 91 HB1 PHE 91 -6.136 1.769 1.769 606 HD1 PHE 91 HD2 PHE 91 -4.587 -1.556 -1.556 607 HD2 PHE 91 HD1 PHE 91 -4.782 2.457 2.457 608 HE1 PHE 91 HE2 PHE 91 -3.277 -2.204 -2.204 609 HE2 PHE 91 HE1 PHE 91 -3.474 1.839 1.839 610 HZ PHE 91 HZ PHE 91 -2.726 -0.513 -0.513 611 HA PRO 92 HA PRO 92 -6.510 4.288 4.288 612 1HB PRO 92 HB2 PRO 92 -7.428 3.386 3.386 613 2HB PRO 92 HB1 PRO 92 -8.358 3.274 3.274 614 1HG PRO 92 HG2 PRO 92 -6.928 1.125 1.125 615 2HG PRO 92 HG1 PRO 92 -8.321 1.003 1.003 616 1HD PRO 92 HD2 PRO 92 -5.653 0.370 0.370 617 2HD PRO 92 HD1 PRO 92 -6.977 0.575 0.575 618 H LYS 93 HN LYS 93 -3.776 2.808 2.808 619 HA LYS 93 HA LYS 93 -2.997 4.124 4.124 620 1HB LYS 93 HB2 LYS 93 -2.475 1.635 1.635 621 2HB LYS 93 HB1 LYS 93 -1.258 2.320 2.320 622 1HG LYS 93 HG2 LYS 93 0.121 2.817 2.817 623 2HG LYS 93 HG1 LYS 93 -1.191 3.544 3.544 624 1HD LYS 93 HD2 LYS 93 -1.633 1.609 1.609 625 2HD LYS 93 HD1 LYS 93 -1.270 0.588 0.588 626 1HE LYS 93 HE2 LYS 93 1.094 2.004 2.004 627 2HE LYS 93 HE1 LYS 93 0.379 0.981 0.981 628 1HZ LYS 93 HZ3 LYS 93 0.283 -0.540 -0.540 629 2HZ LYS 93 HZ2 LYS 93 1.790 0.238 0.238 630 3HZ LYS 93 HZ1 LYS 93 1.407 -0.697 -0.697 631 H THR 94 HN THR 94 -0.745 5.083 5.083 632 HA THR 94 HA THR 94 -0.414 6.502 6.502 633 HB THR 94 HB THR 94 -0.009 7.676 7.676 634 HG1 THR 94 HG1 THR 94 -2.236 7.180 7.180 635 1HG2 THR 94 HG21 THR 94 1.055 8.412 8.412 636 2HG2 THR 94 HG23 THR 94 -0.369 9.442 9.442 637 3HG2 THR 94 HG22 THR 94 0.865 9.471 9.471 638 H VAL 95 HN VAL 95 1.579 6.354 6.354 639 HA VAL 95 HA VAL 95 3.652 5.216 5.216 640 HB VAL 95 HB VAL 95 3.305 5.235 5.235 641 1HG1 VAL 95 HG12 VAL 95 5.649 6.060 6.060 642 2HG1 VAL 95 HG11 VAL 95 5.899 4.488 4.488 643 3HG1 VAL 95 HG13 VAL 95 5.563 4.589 4.589 644 1HG2 VAL 95 HG23 VAL 95 2.959 3.389 3.389 645 2HG2 VAL 95 HG22 VAL 95 2.990 3.033 3.033 646 3HG2 VAL 95 HG21 VAL 95 4.470 2.912 2.912 647 H THR 96 HN THR 96 5.819 6.268 6.268 648 HA THR 96 HA THR 96 5.534 9.166 9.166 649 HB THR 96 HB THR 96 6.917 7.905 7.905 650 HG1 THR 96 HG1 THR 96 4.864 7.988 7.988 651 1HG2 THR 96 HG22 THR 96 7.244 10.476 10.476 652 2HG2 THR 96 HG21 THR 96 6.616 10.678 10.678 653 3HG2 THR 96 HG23 THR 96 8.124 9.801 9.801 654 H VAL 97 HN VAL 97 7.172 10.249 10.249 655 HA VAL 97 HA VAL 97 9.787 8.894 8.894 656 HB VAL 97 HB VAL 97 7.993 10.216 10.216 657 1HG1 VAL 97 HG12 VAL 97 11.018 10.170 10.170 658 2HG1 VAL 97 HG11 VAL 97 10.030 10.412 10.412 659 3HG1 VAL 97 HG13 VAL 97 9.974 11.588 11.588 660 1HG2 VAL 97 HG23 VAL 97 9.571 7.727 7.727 661 2HG2 VAL 97 HG22 VAL 97 8.022 7.961 7.961 662 3HG2 VAL 97 HG21 VAL 97 9.515 8.390 8.390 663 H LYS 98 HN LYS 98 11.547 10.292 10.292 664 HA LYS 98 HA LYS 98 10.878 12.852 12.852 665 1HB LYS 98 HB2 LYS 98 13.710 11.989 11.989 666 2HB LYS 98 HB1 LYS 98 12.819 12.570 12.570 667 1HG LYS 98 HG2 LYS 98 12.941 10.396 10.396 668 2HG LYS 98 HG1 LYS 98 11.573 10.183 10.183 669 1HD LYS 98 HD2 LYS 98 13.147 8.506 8.506 670 2HD LYS 98 HD1 LYS 98 13.309 9.772 9.772 671 1HE LYS 98 HE2 LYS 98 15.536 9.159 9.159 672 2HE LYS 98 HE1 LYS 98 15.192 10.736 10.736 673 1HZ LYS 98 HZ1 LYS 98 14.791 8.162 8.162 674 2HZ LYS 98 HZ3 LYS 98 16.198 9.102 9.102 675 3HZ LYS 98 HZ2 LYS 98 14.708 9.727 9.727 676 HA PRO 99 HA PRO 99 12.488 15.496 15.496 677 1HB PRO 99 HB2 PRO 99 14.756 16.749 16.749 678 2HB PRO 99 HB1 PRO 99 13.107 17.161 17.161 679 1HG PRO 99 HG2 PRO 99 15.192 15.637 15.637 680 2HG PRO 99 HG1 PRO 99 13.854 16.616 16.616 681 1HD PRO 99 HD2 PRO 99 13.904 13.821 13.821 682 2HD PRO 99 HD1 PRO 99 12.441 14.805 14.805 683 H ALA 100 HN ALA 100 12.975 13.848 13.848 684 HA ALA 100 HA ALA 100 15.100 12.201 12.201 685 1HB ALA 100 HB2 ALA 100 13.195 13.518 13.518 686 2HB ALA 100 HB1 ALA 100 14.760 13.500 13.500 687 3HB ALA 100 HB3 ALA 100 14.029 11.989 11.989 Start of MODEL 19 1 1H ALA 1 HT2 ALA 1 -17.533 -11.261 -11.261 2 2H ALA 1 HT1 ALA 1 -18.187 -9.799 -9.799 3 3H ALA 1 HT3 ALA 1 -18.966 -10.652 -10.652 4 HA ALA 1 HA ALA 1 -17.247 -10.195 -10.195 5 1HB ALA 1 HB1 ALA 1 -17.844 -7.726 -7.726 6 2HB ALA 1 HB3 ALA 1 -17.267 -7.730 -7.730 7 3HB ALA 1 HB2 ALA 1 -18.865 -8.372 -8.372 8 H ASP 2 HN ASP 2 -15.614 -11.457 -11.457 9 HA ASP 2 HA ASP 2 -13.447 -11.522 -11.522 10 1HB ASP 2 HB2 ASP 2 -12.906 -10.819 -10.819 11 2HB ASP 2 HB1 ASP 2 -13.244 -9.145 -9.145 12 HA PRO 3 HA PRO 3 -14.276 -7.757 -7.757 13 1HB PRO 3 HB2 PRO 3 -15.841 -8.892 -8.892 14 2HB PRO 3 HB1 PRO 3 -16.518 -8.089 -8.089 15 1HG PRO 3 HG2 PRO 3 -16.343 -11.004 -11.004 16 2HG PRO 3 HG1 PRO 3 -17.506 -10.137 -10.137 17 1HD PRO 3 HD2 PRO 3 -15.288 -11.636 -11.636 18 2HD PRO 3 HD1 PRO 3 -16.272 -10.507 -10.507 19 H GLU 4 HN GLU 4 -12.953 -10.779 -10.779 20 HA GLU 4 HA GLU 4 -11.524 -10.342 -10.342 21 1HB GLU 4 HB2 GLU 4 -13.486 -12.297 -12.297 22 2HB GLU 4 HB1 GLU 4 -11.929 -13.126 -13.126 23 1HG GLU 4 HG2 GLU 4 -11.640 -12.675 -12.675 24 2HG GLU 4 HG1 GLU 4 -12.431 -11.102 -11.102 25 H LYS 5 HN LYS 5 -11.095 -10.695 -10.695 26 HA LYS 5 HA LYS 5 -8.422 -11.893 -11.893 27 1HB LYS 5 HB2 LYS 5 -10.401 -12.788 -12.788 28 2HB LYS 5 HB1 LYS 5 -8.688 -13.214 -13.214 29 1HG LYS 5 HG2 LYS 5 -9.766 -13.738 -13.738 30 2HG LYS 5 HG1 LYS 5 -10.791 -14.512 -14.512 31 1HD LYS 5 HD2 LYS 5 -8.898 -15.968 -15.968 32 2HD LYS 5 HD1 LYS 5 -8.871 -15.643 -15.643 33 1HE LYS 5 HE2 LYS 5 -6.731 -14.977 -14.977 34 2HE LYS 5 HE1 LYS 5 -7.419 -13.530 -13.530 35 1HZ LYS 5 HZ3 LYS 5 -6.737 -16.035 -16.035 36 2HZ LYS 5 HZ2 LYS 5 -5.806 -14.614 -14.614 37 3HZ LYS 5 HZ1 LYS 5 -7.357 -14.620 -14.620 38 H SER 6 HN SER 6 -9.126 -9.209 -9.209 39 HA SER 6 HA SER 6 -8.174 -8.618 -8.618 40 1HB SER 6 HB2 SER 6 -9.430 -6.574 -6.574 41 2HB SER 6 HB1 SER 6 -9.347 -6.589 -6.589 42 HG SER 6 HG SER 6 -11.347 -7.342 -7.342 43 H TYR 7 HN TYR 7 -6.002 -8.209 -8.209 44 HA TYR 7 HA TYR 7 -5.041 -6.474 -6.474 45 1HB TYR 7 HB2 TYR 7 -2.854 -7.979 -7.979 46 2HB TYR 7 HB1 TYR 7 -4.142 -8.438 -8.438 47 HD1 TYR 7 HD2 TYR 7 -2.660 -9.060 -9.060 48 HD2 TYR 7 HD1 TYR 7 -5.635 -10.281 -10.281 49 HE1 TYR 7 HE2 TYR 7 -3.042 -11.142 -11.142 50 HE2 TYR 7 HE1 TYR 7 -6.018 -12.363 -12.363 51 HH TYR 7 HH TYR 7 -4.024 -13.629 -13.629 52 H ALA 8 HN ALA 8 -3.474 -4.993 -4.993 53 HA ALA 8 HA ALA 8 -2.606 -4.896 -4.896 54 1HB ALA 8 HB1 ALA 8 -3.980 -2.935 -2.935 55 2HB ALA 8 HB3 ALA 8 -2.356 -2.337 -2.337 56 3HB ALA 8 HB2 ALA 8 -3.423 -2.797 -2.797 57 H GLU 9 HN GLU 9 -0.421 -5.328 -5.328 58 HA GLU 9 HA GLU 9 1.282 -4.183 -4.183 59 1HB GLU 9 HB2 GLU 9 1.640 -7.000 -7.000 60 2HB GLU 9 HB1 GLU 9 2.481 -6.244 -6.244 61 1HG GLU 9 HG2 GLU 9 -0.522 -6.616 -6.616 62 2HG GLU 9 HG1 GLU 9 0.575 -7.824 -7.824 63 H GLY 10 HN GLY 10 3.291 -3.503 -3.503 64 1HA GLY 10 HA2 GLY 10 4.357 -4.278 -4.278 65 2HA GLY 10 HA1 GLY 10 3.731 -2.635 -2.635 66 HA PRO 11 HA PRO 11 8.047 -2.619 -2.619 67 1HB PRO 11 HB2 PRO 11 9.315 -1.541 -1.541 68 2HB PRO 11 HB1 PRO 11 9.179 -3.286 -3.286 69 1HG PRO 11 HG2 PRO 11 7.711 -1.581 -1.581 70 2HG PRO 11 HG1 PRO 11 8.080 -3.312 -3.312 71 1HD PRO 11 HD2 PRO 11 5.585 -2.165 -2.165 72 2HD PRO 11 HD1 PRO 11 6.057 -3.865 -3.865 73 H GLY 12 HN GLY 12 5.579 -0.707 -0.707 74 1HA GLY 12 HA2 GLY 12 6.976 1.855 1.855 75 2HA GLY 12 HA1 GLY 12 5.549 1.730 1.730 76 H LEU 13 HN LEU 13 5.715 3.343 3.343 77 HA LEU 13 HA LEU 13 4.010 3.889 3.889 78 1HB LEU 13 HB2 LEU 13 2.130 2.690 2.690 79 2HB LEU 13 HB1 LEU 13 2.829 1.782 1.782 80 HG LEU 13 HG LEU 13 3.770 0.642 0.642 81 1HD1 LEU 13 HD13 LEU 13 1.758 1.785 1.785 82 2HD1 LEU 13 HD12 LEU 13 0.770 0.858 0.858 83 3HD1 LEU 13 HD11 LEU 13 1.702 0.026 0.026 84 1HD2 LEU 13 HD23 LEU 13 2.462 -0.136 -0.136 85 2HD2 LEU 13 HD22 LEU 13 3.569 -1.060 -1.060 86 3HD2 LEU 13 HD21 LEU 13 1.843 -1.045 -1.045 87 H ASP 14 HN ASP 14 6.501 1.716 1.716 88 HA ASP 14 HA ASP 14 6.313 0.974 0.974 89 1HB ASP 14 HB2 ASP 14 8.913 1.492 1.492 90 2HB ASP 14 HB1 ASP 14 8.532 0.249 0.249 91 H GLY 15 HN GLY 15 7.039 3.826 3.826 92 1HA GLY 15 HA2 GLY 15 7.294 6.021 6.021 93 2HA GLY 15 HA1 GLY 15 7.415 5.325 5.325 94 H GLY 16 HN GLY 16 9.283 5.820 5.820 95 1HA GLY 16 HA2 GLY 16 11.598 6.055 6.055 96 2HA GLY 16 HA1 GLY 16 11.778 4.916 4.916 97 H GLU 17 HN GLU 17 11.110 6.116 6.116 98 HA GLU 17 HA GLU 17 12.460 8.777 8.777 99 1HB GLU 17 HB2 GLU 17 12.997 6.446 6.446 100 2HB GLU 17 HB1 GLU 17 13.418 8.077 8.077 101 1HG GLU 17 HG2 GLU 17 14.853 8.353 8.353 102 2HG GLU 17 HG1 GLU 17 14.298 6.830 6.830 103 H CYS 18 HN CYS 18 11.671 10.304 10.304 104 HA CYS 18 HA CYS 18 9.107 9.819 9.819 105 1HB CYS 18 HB2 CYS 18 10.619 12.271 12.271 106 2HB CYS 18 HB1 CYS 18 9.507 12.401 12.401 107 HG CYS 18 HG CYS 18 7.899 11.070 11.070 108 H PHE 19 HN PHE 19 12.452 10.185 10.185 109 HA PHE 19 HA PHE 19 11.932 10.981 10.981 110 1HB PHE 19 HB2 PHE 19 14.435 10.491 10.491 111 2HB PHE 19 HB1 PHE 19 14.485 10.728 10.728 112 HD1 PHE 19 HD1 PHE 19 13.323 12.761 12.761 113 HD2 PHE 19 HD2 PHE 19 14.175 12.339 12.339 114 HE1 PHE 19 HE1 PHE 19 12.973 15.193 15.193 115 HE2 PHE 19 HE2 PHE 19 13.833 14.776 14.776 116 HZ PHE 19 HZ PHE 19 13.222 16.175 16.175 117 H GLN 20 HN GLN 20 11.475 8.181 8.181 118 HA GLN 20 HA GLN 20 12.743 6.552 6.552 119 1HB GLN 20 HB2 GLN 20 11.886 6.032 6.032 120 2HB GLN 20 HB1 GLN 20 11.385 4.784 4.784 121 1HG GLN 20 HG2 GLN 20 13.998 5.335 5.335 122 2HG GLN 20 HG1 GLN 20 14.062 5.416 5.416 123 1HE2 GLN 20 HE22 GLN 20 14.570 1.849 1.849 124 2HE2 GLN 20 HE21 GLN 20 15.428 3.301 3.301 125 HA PRO 21 HA PRO 21 8.921 6.307 6.307 126 1HB PRO 21 HB2 PRO 21 9.047 3.741 3.741 127 2HB PRO 21 HB1 PRO 21 9.961 5.105 5.105 128 1HG PRO 21 HG2 PRO 21 10.917 2.850 2.850 129 2HG PRO 21 HG1 PRO 21 11.801 3.788 3.788 130 1HD PRO 21 HD2 PRO 21 12.013 4.154 4.154 131 2HD PRO 21 HD1 PRO 21 12.497 5.346 5.346 132 H SER 22 HN SER 22 6.879 6.036 6.036 133 HA SER 22 HA SER 22 6.588 3.831 3.831 134 1HB SER 22 HB2 SER 22 6.003 6.506 6.506 135 2HB SER 22 HB1 SER 22 4.445 5.782 5.782 136 HG SER 22 HG SER 22 4.886 4.316 4.316 137 H LYS 23 HN LYS 23 5.770 2.032 2.032 138 HA LYS 23 HA LYS 23 3.235 2.340 2.340 139 1HB LYS 23 HB2 LYS 23 5.475 0.703 0.703 140 2HB LYS 23 HB1 LYS 23 3.964 1.179 1.179 141 1HG LYS 23 HG2 LYS 23 5.318 2.757 2.757 142 2HG LYS 23 HG1 LYS 23 4.951 3.621 3.621 143 1HD LYS 23 HD2 LYS 23 7.218 3.747 3.747 144 2HD LYS 23 HD1 LYS 23 7.046 2.124 2.124 145 1HE LYS 23 HE2 LYS 23 7.044 1.928 1.928 146 2HE LYS 23 HE1 LYS 23 8.432 2.901 2.901 147 1HZ LYS 23 HZ1 LYS 23 8.194 0.747 0.747 148 2HZ LYS 23 HZ3 LYS 23 8.105 0.128 0.128 149 3HZ LYS 23 HZ2 LYS 23 9.443 1.065 1.065 150 H PHE 24 HN PHE 24 1.906 0.602 0.602 151 HA PHE 24 HA PHE 24 3.066 -1.925 -1.925 152 1HB PHE 24 HB2 PHE 24 0.631 -1.525 -1.525 153 2HB PHE 24 HB1 PHE 24 2.256 -1.722 -1.722 154 HD1 PHE 24 HD1 PHE 24 3.783 0.422 0.422 155 HD2 PHE 24 HD2 PHE 24 -0.500 0.438 0.438 156 HE1 PHE 24 HE1 PHE 24 3.835 2.802 2.802 157 HE2 PHE 24 HE2 PHE 24 -0.451 2.829 2.829 158 HZ PHE 24 HZ PHE 24 1.728 3.998 3.998 159 H LYS 25 HN LYS 25 1.578 -3.742 -3.742 160 HA LYS 25 HA LYS 25 -0.494 -3.226 -3.226 161 1HB LYS 25 HB2 LYS 25 0.943 -5.846 -5.846 162 2HB LYS 25 HB1 LYS 25 -0.038 -5.410 -5.410 163 1HG LYS 25 HG2 LYS 25 2.015 -4.969 -4.969 164 2HG LYS 25 HG1 LYS 25 1.781 -3.420 -3.420 165 1HD LYS 25 HD2 LYS 25 3.260 -3.935 -3.935 166 2HD LYS 25 HD1 LYS 25 3.001 -5.673 -5.673 167 1HE LYS 25 HE2 LYS 25 4.087 -5.279 -5.279 168 2HE LYS 25 HE1 LYS 25 4.785 -3.868 -3.868 169 1HZ LYS 25 HZ2 LYS 25 4.906 -6.373 -6.373 170 2HZ LYS 25 HZ1 LYS 25 5.887 -6.275 -6.275 171 3HZ LYS 25 HZ3 LYS 25 6.061 -5.136 -5.136 172 H ILE 26 HN ILE 26 -2.544 -4.081 -4.081 173 HA ILE 26 HA ILE 26 -2.889 -5.267 -5.267 174 HB ILE 26 HB ILE 26 -5.088 -3.968 -3.968 175 1HG1 ILE 26 HG12 ILE 26 -2.880 -2.660 -2.660 176 2HG1 ILE 26 HG11 ILE 26 -3.413 -2.273 -2.273 177 1HG2 ILE 26 HG21 ILE 26 -4.503 -4.274 -4.274 178 2HG2 ILE 26 HG23 ILE 26 -5.944 -3.525 -3.525 179 3HG2 ILE 26 HG22 ILE 26 -5.642 -5.246 -5.246 180 1HD1 ILE 26 HD12 ILE 26 -5.152 -1.951 -1.951 181 2HD1 ILE 26 HD11 ILE 26 -4.223 -0.641 -0.641 182 3HD1 ILE 26 HD13 ILE 26 -5.520 -1.417 -1.417 183 H HIS 27 HN HIS 27 -4.486 -6.898 -6.898 184 HA HIS 27 HA HIS 27 -5.467 -8.208 -8.208 185 1HB HIS 27 HB2 HIS 27 -4.169 -9.892 -9.892 186 2HB HIS 27 HB1 HIS 27 -4.490 -10.292 -10.292 187 HD1 HIS 27 HD1 HIS 27 -2.377 -7.802 -7.802 188 HD2 HIS 27 HD2 HIS 27 -2.276 -9.929 -9.929 189 HE1 HIS 27 HE1 HIS 27 -0.143 -7.301 -7.301 190 H ALA 28 HN ALA 28 -7.592 -8.381 -8.381 191 HA ALA 28 HA ALA 28 -8.646 -8.754 -8.754 192 1HB ALA 28 HB2 ALA 28 -9.449 -7.158 -7.158 193 2HB ALA 28 HB1 ALA 28 -10.576 -8.511 -8.511 194 3HB ALA 28 HB3 ALA 28 -10.440 -7.566 -7.566 195 H VAL 29 HN VAL 29 -9.614 -10.719 -10.719 196 HA VAL 29 HA VAL 29 -10.047 -12.721 -12.721 197 HB VAL 29 HB VAL 29 -8.833 -13.033 -13.033 198 1HG1 VAL 29 HG13 VAL 29 -10.734 -14.898 -14.898 199 2HG1 VAL 29 HG12 VAL 29 -9.247 -15.623 -15.623 200 3HG1 VAL 29 HG11 VAL 29 -10.317 -14.748 -14.748 201 1HG2 VAL 29 HG23 VAL 29 -7.629 -12.903 -12.903 202 2HG2 VAL 29 HG22 VAL 29 -7.150 -14.175 -14.175 203 3HG2 VAL 29 HG21 VAL 29 -8.225 -14.548 -14.548 204 H ASP 30 HN ASP 30 -12.118 -13.121 -13.121 205 HA ASP 30 HA ASP 30 -14.055 -12.442 -12.442 206 1HB ASP 30 HB2 ASP 30 -15.598 -12.225 -12.225 207 2HB ASP 30 HB1 ASP 30 -14.126 -11.944 -11.944 208 HA PRO 31 HA PRO 31 -15.074 -16.594 -16.594 209 1HB PRO 31 HB2 PRO 31 -17.790 -16.808 -16.808 210 2HB PRO 31 HB1 PRO 31 -17.033 -15.894 -15.894 211 1HG PRO 31 HG2 PRO 31 -18.398 -14.879 -14.879 212 2HG PRO 31 HG1 PRO 31 -18.143 -14.076 -14.076 213 1HD PRO 31 HD2 PRO 31 -16.663 -13.649 -13.649 214 2HD PRO 31 HD1 PRO 31 -16.268 -13.015 -13.015 215 H ASP 32 HN ASP 32 -14.722 -16.025 -16.025 216 HA ASP 32 HA ASP 32 -15.993 -18.619 -18.619 217 1HB ASP 32 HB2 ASP 32 -15.771 -15.992 -15.992 218 2HB ASP 32 HB1 ASP 32 -15.394 -17.379 -17.379 219 H GLY 33 HN GLY 33 -13.140 -17.454 -17.454 220 1HA GLY 33 HA2 GLY 33 -10.958 -18.341 -18.341 221 2HA GLY 33 HA1 GLY 33 -11.596 -19.505 -19.505 222 H VAL 34 HN VAL 34 -12.070 -16.042 -16.042 223 HA VAL 34 HA VAL 34 -10.171 -15.731 -15.731 224 HB VAL 34 HB VAL 34 -12.963 -14.736 -14.736 225 1HG1 VAL 34 HG11 VAL 34 -10.543 -15.013 -15.013 226 2HG1 VAL 34 HG13 VAL 34 -11.749 -16.055 -16.055 227 3HG1 VAL 34 HG12 VAL 34 -12.078 -14.336 -14.336 228 1HG2 VAL 34 HG22 VAL 34 -13.262 -17.086 -17.086 229 2HG2 VAL 34 HG21 VAL 34 -13.661 -16.889 -16.889 230 3HG2 VAL 34 HG23 VAL 34 -12.123 -17.615 -17.615 231 H HIS 35 HN HIS 35 -10.999 -13.245 -13.245 232 HA HIS 35 HA HIS 35 -10.602 -11.623 -11.623 233 1HB HIS 35 HB2 HIS 35 -10.065 -11.144 -11.144 234 2HB HIS 35 HB1 HIS 35 -10.101 -9.811 -9.811 235 HD1 HIS 35 HD1 HIS 35 -8.184 -12.952 -12.952 236 HD2 HIS 35 HD2 HIS 35 -7.905 -9.704 -9.704 237 HE1 HIS 35 HE1 HIS 35 -5.855 -13.034 -13.034 238 H ARG 36 HN ARG 36 -13.120 -12.446 -12.446 239 HA ARG 36 HA ARG 36 -15.352 -11.777 -11.777 240 1HB ARG 36 HB2 ARG 36 -13.737 -9.338 -9.338 241 2HB ARG 36 HB1 ARG 36 -15.329 -9.054 -9.054 242 1HG ARG 36 HG2 ARG 36 -16.104 -10.709 -10.709 243 2HG ARG 36 HG1 ARG 36 -14.623 -10.142 -10.142 244 1HD ARG 36 HD2 ARG 36 -15.818 -8.350 -8.350 245 2HD ARG 36 HD1 ARG 36 -15.779 -7.810 -7.810 246 HE ARG 36 HE ARG 36 -18.008 -9.462 -9.462 247 1HH1 ARG 36 HH11 ARG 36 -19.206 -9.596 -9.596 248 2HH1 ARG 36 HH12 ARG 36 -19.634 -8.034 -8.034 249 1HH2 ARG 36 HH21 ARG 36 -17.475 -6.323 -6.323 250 2HH2 ARG 36 HH22 ARG 36 -18.655 -6.181 -6.181 251 H THR 37 HN THR 37 -14.694 -12.882 -12.882 252 HA THR 37 HA THR 37 -14.966 -12.821 -12.821 253 HB THR 37 HB THR 37 -17.080 -10.739 -10.739 254 HG1 THR 37 HG1 THR 37 -17.167 -12.564 -12.564 255 1HG2 THR 37 HG22 THR 37 -16.328 -11.739 -11.739 256 2HG2 THR 37 HG21 THR 37 -17.423 -13.030 -13.030 257 3HG2 THR 37 HG23 THR 37 -18.014 -11.372 -11.372 258 H ASP 38 HN ASP 38 -12.940 -11.763 -11.763 259 HA ASP 38 HA ASP 38 -12.108 -9.190 -9.190 260 1HB ASP 38 HB2 ASP 38 -11.433 -11.280 -11.280 261 2HB ASP 38 HB1 ASP 38 -11.748 -9.907 -9.907 262 H GLY 39 HN GLY 39 -12.324 -7.192 -7.192 263 1HA GLY 39 HA2 GLY 39 -13.413 -5.656 -5.656 264 2HA GLY 39 HA1 GLY 39 -14.479 -6.953 -6.953 265 H GLY 40 HN GLY 40 -15.188 -7.675 -7.675 266 1HA GLY 40 HA2 GLY 40 -16.935 -5.305 -5.305 267 2HA GLY 40 HA1 GLY 40 -17.486 -6.965 -6.965 268 H ASP 41 HN ASP 41 -14.600 -5.119 -5.119 269 HA ASP 41 HA ASP 41 -15.228 -6.181 -6.181 270 1HB ASP 41 HB2 ASP 41 -12.577 -5.505 -5.505 271 2HB ASP 41 HB1 ASP 41 -12.746 -5.634 -5.634 272 H GLY 42 HN GLY 42 -15.942 -4.623 -4.623 273 1HA GLY 42 HA2 GLY 42 -15.956 -1.826 -1.826 274 2HA GLY 42 HA1 GLY 42 -16.398 -2.468 -2.468 275 H PHE 43 HN PHE 43 -13.469 -2.148 -2.148 276 HA PHE 43 HA PHE 43 -11.852 -1.857 -1.857 277 1HB PHE 43 HB2 PHE 43 -11.426 -2.977 -2.977 278 2HB PHE 43 HB1 PHE 43 -10.397 -1.545 -1.545 279 HD1 PHE 43 HD1 PHE 43 -11.364 -4.533 -4.533 280 HD2 PHE 43 HD2 PHE 43 -8.344 -1.623 -1.623 281 HE1 PHE 43 HE1 PHE 43 -9.752 -5.754 -5.754 282 HE2 PHE 43 HE2 PHE 43 -6.733 -2.843 -2.843 283 HZ PHE 43 HZ PHE 43 -7.438 -4.908 -4.908 284 H VAL 44 HN VAL 44 -11.488 0.103 0.103 285 HA VAL 44 HA VAL 44 -10.970 2.348 2.348 286 HB VAL 44 HB VAL 44 -12.986 3.221 3.221 287 1HG1 VAL 44 HG11 VAL 44 -12.851 1.087 1.087 288 2HG1 VAL 44 HG13 VAL 44 -13.555 2.553 2.553 289 3HG1 VAL 44 HG12 VAL 44 -14.258 1.818 1.818 290 1HG2 VAL 44 HG23 VAL 44 -11.248 4.667 4.667 291 2HG2 VAL 44 HG22 VAL 44 -12.791 4.706 4.706 292 3HG2 VAL 44 HG21 VAL 44 -11.454 3.751 3.751 293 H VAL 45 HN VAL 45 -8.871 2.817 2.817 294 HA VAL 45 HA VAL 45 -7.857 2.641 2.641 295 HB VAL 45 HB VAL 45 -6.165 2.432 2.432 296 1HG1 VAL 45 HG11 VAL 45 -5.214 2.947 2.947 297 2HG1 VAL 45 HG13 VAL 45 -5.666 1.292 1.292 298 3HG1 VAL 45 HG12 VAL 45 -4.497 1.591 1.591 299 1HG2 VAL 45 HG23 VAL 45 -8.110 0.558 0.558 300 2HG2 VAL 45 HG22 VAL 45 -6.886 0.341 0.341 301 3HG2 VAL 45 HG21 VAL 45 -6.527 -0.096 -0.096 302 H THR 46 HN THR 46 -6.341 4.278 4.278 303 HA THR 46 HA THR 46 -5.794 6.477 6.477 304 HB THR 46 HB THR 46 -7.008 7.952 7.952 305 HG1 THR 46 HG1 THR 46 -9.176 6.890 6.890 306 1HG2 THR 46 HG21 THR 46 -7.318 7.392 7.392 307 2HG2 THR 46 HG23 THR 46 -8.914 7.546 7.546 308 3HG2 THR 46 HG22 THR 46 -7.743 8.859 8.859 309 H ILE 47 HN ILE 47 -3.922 7.345 7.345 310 HA ILE 47 HA ILE 47 -3.033 7.141 7.141 311 HB ILE 47 HB ILE 47 -1.525 6.686 6.686 312 1HG1 ILE 47 HG12 ILE 47 -2.135 5.233 5.233 313 2HG1 ILE 47 HG11 ILE 47 -1.667 4.603 4.603 314 1HG2 ILE 47 HG21 ILE 47 -0.328 7.713 7.713 315 2HG2 ILE 47 HG23 ILE 47 0.605 7.080 7.080 316 3HG2 ILE 47 HG22 ILE 47 -0.331 8.552 8.552 317 1HD1 ILE 47 HD13 ILE 47 0.699 5.477 5.477 318 2HD1 ILE 47 HD12 ILE 47 0.130 5.606 5.606 319 3HD1 ILE 47 HD11 ILE 47 0.160 4.036 4.036 320 H GLU 48 HN GLU 48 -1.681 8.932 8.932 321 HA GLU 48 HA GLU 48 -1.183 11.120 11.120 322 1HB GLU 48 HB2 GLU 48 -2.797 12.650 12.650 323 2HB GLU 48 HB1 GLU 48 -3.310 11.968 11.968 324 1HG GLU 48 HG2 GLU 48 -4.691 10.439 10.439 325 2HG GLU 48 HG1 GLU 48 -3.598 10.174 10.174 326 H GLY 49 HN GLY 49 -0.082 12.832 12.832 327 1HA GLY 49 HA2 GLY 49 0.517 12.830 12.830 328 2HA GLY 49 HA1 GLY 49 1.876 12.375 12.375 329 HA PRO 50 HA PRO 50 1.651 17.004 17.004 330 1HB PRO 50 HB2 PRO 50 4.214 17.378 17.378 331 2HB PRO 50 HB1 PRO 50 2.809 17.195 17.195 332 1HG PRO 50 HG2 PRO 50 4.967 15.227 15.227 333 2HG PRO 50 HG1 PRO 50 3.962 15.376 15.376 334 1HD PRO 50 HD2 PRO 50 3.596 13.489 13.489 335 2HD PRO 50 HD1 PRO 50 2.418 13.881 13.881 336 H ALA 51 HN ALA 51 1.711 16.222 16.222 337 HA ALA 51 HA ALA 51 4.110 17.379 17.379 338 1HB ALA 51 HB2 ALA 51 4.206 14.663 14.663 339 2HB ALA 51 HB1 ALA 51 3.634 14.723 14.723 340 3HB ALA 51 HB3 ALA 51 5.155 15.501 15.501 341 HA PRO 52 HA PRO 52 1.360 18.104 18.104 342 1HB PRO 52 HB2 PRO 52 2.903 17.592 17.592 343 2HB PRO 52 HB1 PRO 52 3.116 19.017 19.017 344 1HG PRO 52 HG2 PRO 52 4.796 16.559 16.559 345 2HG PRO 52 HG1 PRO 52 5.256 18.199 18.199 346 1HD PRO 52 HD2 PRO 52 4.773 16.031 16.031 347 2HD PRO 52 HD1 PRO 52 4.897 17.741 17.741 348 H VAL 53 HN VAL 53 3.198 15.104 15.104 349 HA VAL 53 HA VAL 53 0.864 13.950 13.950 350 HB VAL 53 HB VAL 53 2.490 11.913 11.913 351 1HG1 VAL 53 HG11 VAL 53 2.637 14.519 14.519 352 2HG1 VAL 53 HG13 VAL 53 3.969 13.393 13.393 353 3HG1 VAL 53 HG12 VAL 53 2.313 12.905 12.905 354 1HG2 VAL 53 HG21 VAL 53 3.937 12.962 12.962 355 2HG2 VAL 53 HG23 VAL 53 4.798 12.353 12.353 356 3HG2 VAL 53 HG22 VAL 53 4.509 14.084 14.084 357 H ASP 54 HN ASP 54 -0.422 14.105 14.105 358 HA ASP 54 HA ASP 54 0.420 12.191 12.191 359 1HB ASP 54 HB2 ASP 54 -1.587 14.401 14.401 360 2HB ASP 54 HB1 ASP 54 -1.783 13.166 13.166 361 HA PRO 55 HA PRO 55 -3.754 10.139 10.139 362 1HB PRO 55 HB2 PRO 55 -5.399 11.288 11.288 363 2HB PRO 55 HB1 PRO 55 -5.467 11.675 11.675 364 1HG PRO 55 HG2 PRO 55 -4.280 13.268 13.268 365 2HG PRO 55 HG1 PRO 55 -5.045 13.832 13.832 366 1HD PRO 55 HD2 PRO 55 -2.286 13.746 13.746 367 2HD PRO 55 HD1 PRO 55 -3.082 13.776 13.776 368 H VAL 56 HN VAL 56 -2.597 8.484 8.484 369 HA VAL 56 HA VAL 56 -2.696 8.650 8.650 370 HB VAL 56 HB VAL 56 -0.425 7.458 7.458 371 1HG1 VAL 56 HG11 VAL 56 -0.948 8.197 8.197 372 2HG1 VAL 56 HG13 VAL 56 0.692 7.946 7.946 373 3HG1 VAL 56 HG12 VAL 56 -0.481 6.630 6.630 374 1HG2 VAL 56 HG22 VAL 56 -0.829 10.026 10.026 375 2HG2 VAL 56 HG21 VAL 56 0.787 9.480 9.480 376 3HG2 VAL 56 HG23 VAL 56 -0.288 10.148 10.148 377 H MET 57 HN MET 57 -4.410 7.093 7.093 378 HA MET 57 HA MET 57 -3.497 4.371 4.371 379 1HB MET 57 HB2 MET 57 -5.541 3.803 3.803 380 2HB MET 57 HB1 MET 57 -4.944 5.295 5.295 381 1HG MET 57 HG2 MET 57 -7.054 6.060 6.060 382 2HG MET 57 HG1 MET 57 -6.461 6.284 6.284 383 1HE MET 57 HE1 MET 57 -8.797 6.485 6.485 384 2HE MET 57 HE3 MET 57 -9.781 5.162 5.162 385 3HE MET 57 HE2 MET 57 -9.850 5.565 5.565 386 H VAL 58 HN VAL 58 -4.063 2.811 2.811 387 HA VAL 58 HA VAL 58 -6.056 3.525 3.525 388 HB VAL 58 HB VAL 58 -3.805 1.903 1.903 389 1HG1 VAL 58 HG13 VAL 58 -5.246 4.396 4.396 390 2HG1 VAL 58 HG12 VAL 58 -3.971 3.600 3.600 391 3HG1 VAL 58 HG11 VAL 58 -5.477 2.748 2.748 392 1HG2 VAL 58 HG22 VAL 58 -3.345 4.800 4.800 393 2HG2 VAL 58 HG21 VAL 58 -2.530 3.397 3.397 394 3HG2 VAL 58 HG23 VAL 58 -2.253 3.836 3.836 395 H ASP 59 HN ASP 59 -6.984 1.622 1.622 396 HA ASP 59 HA ASP 59 -6.777 -0.836 -0.836 397 1HB ASP 59 HB2 ASP 59 -9.005 0.033 0.033 398 2HB ASP 59 HB1 ASP 59 -9.063 0.321 0.321 399 H ASN 60 HN ASN 60 -6.184 -2.731 -2.731 400 HA ASN 60 HA ASN 60 -5.389 -2.530 -2.530 401 1HB ASN 60 HB2 ASN 60 -5.030 -4.721 -4.721 402 2HB ASN 60 HB1 ASN 60 -4.430 -4.816 -4.816 403 1HD2 ASN 60 HD22 ASN 60 -2.159 -1.938 -1.938 404 2HD2 ASN 60 HD21 ASN 60 -3.401 -2.271 -2.271 405 H GLY 61 HN GLY 61 -8.075 -3.759 -3.759 406 1HA GLY 61 HA2 GLY 61 -10.033 -4.732 -4.732 407 2HA GLY 61 HA1 GLY 61 -9.335 -4.606 -4.606 408 H ASP 62 HN ASP 62 -7.265 -6.114 -6.114 409 HA ASP 62 HA ASP 62 -8.098 -8.805 -8.805 410 1HB ASP 62 HB2 ASP 62 -5.766 -9.450 -9.450 411 2HB ASP 62 HB1 ASP 62 -5.928 -7.933 -7.933 412 H GLY 63 HN GLY 63 -9.005 -7.544 -7.544 413 1HA GLY 63 HA2 GLY 63 -9.424 -8.311 -8.311 414 2HA GLY 63 HA1 GLY 63 -8.367 -9.678 -9.678 415 H THR 64 HN THR 64 -6.514 -7.143 -7.143 416 HA THR 64 HA THR 64 -5.512 -6.723 -6.723 417 HB THR 64 HB THR 64 -3.240 -6.873 -6.873 418 HG1 THR 64 HG1 THR 64 -3.564 -7.760 -7.760 419 1HG2 THR 64 HG22 THR 64 -4.724 -8.987 -8.987 420 2HG2 THR 64 HG21 THR 64 -4.609 -9.197 -9.197 421 3HG2 THR 64 HG23 THR 64 -3.146 -9.187 -9.187 422 H TYR 65 HN TYR 65 -4.708 -4.620 -4.620 423 HA TYR 65 HA TYR 65 -5.079 -2.652 -2.652 424 1HB TYR 65 HB2 TYR 65 -5.705 -2.259 -2.259 425 2HB TYR 65 HB1 TYR 65 -5.911 -1.048 -1.048 426 HD1 TYR 65 HD2 TYR 65 -6.816 -4.606 -4.606 427 HD2 TYR 65 HD1 TYR 65 -7.983 -0.896 -0.896 428 HE1 TYR 65 HE2 TYR 65 -9.004 -5.591 -5.591 429 HE2 TYR 65 HE1 TYR 65 -10.169 -1.881 -1.881 430 HH TYR 65 HH TYR 65 -10.801 -5.252 -5.252 431 H ASP 66 HN ASP 66 -3.687 -0.754 -0.754 432 HA ASP 66 HA ASP 66 -1.278 -1.182 -1.182 433 1HB ASP 66 HB2 ASP 66 0.035 -0.214 -0.214 434 2HB ASP 66 HB1 ASP 66 -0.620 -1.833 -1.833 435 H VAL 67 HN VAL 67 -0.675 0.601 0.601 436 HA VAL 67 HA VAL 67 -1.762 3.227 3.227 437 HB VAL 67 HB VAL 67 -2.330 3.800 3.800 438 1HG1 VAL 67 HG13 VAL 67 -3.323 1.407 1.407 439 2HG1 VAL 67 HG12 VAL 67 -3.141 1.094 1.094 440 3HG1 VAL 67 HG11 VAL 67 -4.139 2.440 2.440 441 1HG2 VAL 67 HG22 VAL 67 -0.579 1.488 1.488 442 2HG2 VAL 67 HG21 VAL 67 -0.499 3.158 3.158 443 3HG2 VAL 67 HG23 VAL 67 -1.786 2.095 2.095 444 H GLU 68 HN GLU 68 -0.231 5.023 5.023 445 HA GLU 68 HA GLU 68 2.329 4.403 4.403 446 1HB GLU 68 HB2 GLU 68 2.321 5.203 5.203 447 2HB GLU 68 HB1 GLU 68 3.728 4.818 4.818 448 1HG GLU 68 HG2 GLU 68 3.371 2.829 2.829 449 2HG GLU 68 HG1 GLU 68 2.565 2.502 2.502 450 H PHE 69 HN PHE 69 3.171 6.171 6.171 451 HA PHE 69 HA PHE 69 2.627 8.824 8.824 452 1HB PHE 69 HB2 PHE 69 2.168 9.886 9.886 453 2HB PHE 69 HB1 PHE 69 1.044 8.545 8.545 454 HD1 PHE 69 HD1 PHE 69 2.174 6.190 6.190 455 HD2 PHE 69 HD2 PHE 69 3.130 10.129 10.129 456 HE1 PHE 69 HE1 PHE 69 3.019 5.237 5.237 457 HE2 PHE 69 HE2 PHE 69 3.969 9.170 9.170 458 HZ PHE 69 HZ PHE 69 3.896 6.706 6.706 459 H GLU 70 HN GLU 70 4.371 10.414 10.414 460 HA GLU 70 HA GLU 70 6.752 9.240 9.240 461 1HB GLU 70 HB2 GLU 70 7.039 8.550 8.550 462 2HB GLU 70 HB1 GLU 70 6.722 10.188 10.188 463 1HG GLU 70 HG2 GLU 70 8.776 10.442 10.442 464 2HG GLU 70 HG1 GLU 70 9.210 9.041 9.041 465 HA PRO 71 HA PRO 71 6.398 13.672 13.672 466 1HB PRO 71 HB2 PRO 71 7.301 13.329 13.329 467 2HB PRO 71 HB1 PRO 71 5.611 13.111 13.111 468 1HG PRO 71 HG2 PRO 71 7.653 11.041 11.041 469 2HG PRO 71 HG1 PRO 71 5.889 10.956 10.956 470 1HD PRO 71 HD2 PRO 71 7.471 9.818 9.818 471 2HD PRO 71 HD1 PRO 71 5.706 10.014 10.014 472 H LYS 72 HN LYS 72 8.153 15.106 15.106 473 HA LYS 72 HA LYS 72 10.931 14.162 14.162 474 1HB LYS 72 HB2 LYS 72 11.047 16.797 16.797 475 2HB LYS 72 HB1 LYS 72 10.939 15.438 15.438 476 1HG LYS 72 HG2 LYS 72 8.694 15.795 15.795 477 2HG LYS 72 HG1 LYS 72 8.391 16.506 16.506 478 1HD LYS 72 HD2 LYS 72 8.280 18.212 18.212 479 2HD LYS 72 HD1 LYS 72 9.597 18.543 18.543 480 1HE LYS 72 HE2 LYS 72 10.964 18.614 18.614 481 2HE LYS 72 HE1 LYS 72 10.742 16.868 16.868 482 1HZ LYS 72 HZ3 LYS 72 8.560 18.376 18.376 483 2HZ LYS 72 HZ2 LYS 72 10.037 18.686 18.686 484 3HZ LYS 72 HZ1 LYS 72 9.443 17.097 17.097 485 H GLU 73 HN GLU 73 9.454 14.664 14.664 486 HA GLU 73 HA GLU 73 11.511 16.389 16.389 487 1HB GLU 73 HB2 GLU 73 9.938 17.932 17.932 488 2HB GLU 73 HB1 GLU 73 9.681 17.957 17.957 489 1HG GLU 73 HG2 GLU 73 7.634 16.931 16.931 490 2HG GLU 73 HG1 GLU 73 8.093 15.975 15.975 491 H ALA 74 HN ALA 74 10.307 16.658 16.658 492 HA ALA 74 HA ALA 74 10.308 13.846 13.846 493 1HB ALA 74 HB1 ALA 74 11.667 15.615 15.615 494 2HB ALA 74 HB3 ALA 74 10.153 16.396 16.396 495 3HB ALA 74 HB2 ALA 74 10.521 14.776 14.776 496 H GLY 75 HN GLY 75 8.336 12.858 12.858 497 1HA GLY 75 HA2 GLY 75 6.009 14.322 14.322 498 2HA GLY 75 HA1 GLY 75 5.912 13.902 13.902 499 H ASP 76 HN ASP 76 4.086 12.910 12.910 500 HA ASP 76 HA ASP 76 4.878 10.035 10.035 501 1HB ASP 76 HB2 ASP 76 3.029 9.906 9.906 502 2HB ASP 76 HB1 ASP 76 4.266 11.067 11.067 503 H TYR 77 HN TYR 77 3.198 8.499 8.499 504 HA TYR 77 HA TYR 77 1.484 9.578 9.578 505 1HB TYR 77 HB2 TYR 77 2.241 6.692 6.692 506 2HB TYR 77 HB1 TYR 77 1.655 7.485 7.485 507 HD1 TYR 77 HD2 TYR 77 3.397 9.991 9.991 508 HD2 TYR 77 HD1 TYR 77 4.232 5.793 5.793 509 HE1 TYR 77 HE2 TYR 77 5.704 10.411 10.411 510 HE2 TYR 77 HE1 TYR 77 6.535 6.199 6.199 511 HH TYR 77 HH TYR 77 7.587 8.413 8.413 512 H VAL 78 HN VAL 78 -0.621 9.105 9.105 513 HA VAL 78 HA VAL 78 -1.721 7.417 7.417 514 HB VAL 78 HB VAL 78 -2.582 9.560 9.560 515 1HG1 VAL 78 HG13 VAL 78 -2.624 9.804 9.804 516 2HG1 VAL 78 HG12 VAL 78 -3.639 10.860 10.860 517 3HG1 VAL 78 HG11 VAL 78 -1.888 10.878 10.878 518 1HG2 VAL 78 HG23 VAL 78 -4.532 8.143 8.143 519 2HG2 VAL 78 HG22 VAL 78 -4.372 7.922 7.922 520 3HG2 VAL 78 HG21 VAL 78 -4.970 9.451 9.451 521 H ILE 79 HN ILE 79 -2.790 5.672 5.672 522 HA ILE 79 HA ILE 79 -3.155 5.500 5.500 523 HB ILE 79 HB ILE 79 -3.434 2.944 2.944 524 1HG1 ILE 79 HG12 ILE 79 -2.096 3.958 3.958 525 2HG1 ILE 79 HG11 ILE 79 -1.187 2.719 2.719 526 1HG2 ILE 79 HG23 ILE 79 -2.754 3.402 3.402 527 2HG2 ILE 79 HG22 ILE 79 -1.243 4.094 4.094 528 3HG2 ILE 79 HG21 ILE 79 -1.585 2.382 2.382 529 1HD1 ILE 79 HD13 ILE 79 -0.647 5.047 5.047 530 2HD1 ILE 79 HD12 ILE 79 -0.642 5.578 5.578 531 3HD1 ILE 79 HD11 ILE 79 0.429 4.276 4.276 532 H ASN 80 HN ASN 80 -4.839 4.345 4.345 533 HA ASN 80 HA ASN 80 -7.225 3.835 3.835 534 1HB ASN 80 HB2 ASN 80 -7.510 5.592 5.592 535 2HB ASN 80 HB1 ASN 80 -8.633 5.353 5.353 536 1HD2 ASN 80 HD22 ASN 80 -6.894 7.613 7.613 537 2HD2 ASN 80 HD21 ASN 80 -7.834 6.200 6.200 538 H LEU 81 HN LEU 81 -7.631 1.812 1.812 539 HA LEU 81 HA LEU 81 -7.708 1.224 1.224 540 1HB LEU 81 HB2 LEU 81 -5.604 0.266 0.266 541 2HB LEU 81 HB1 LEU 81 -6.274 -0.362 -0.362 542 HG LEU 81 HG LEU 81 -5.878 -1.978 -1.978 543 1HD1 LEU 81 HD11 LEU 81 -7.273 -2.162 -2.162 544 2HD1 LEU 81 HD13 LEU 81 -8.629 -2.213 -2.213 545 3HD1 LEU 81 HD12 LEU 81 -7.348 -3.421 -3.421 546 1HD2 LEU 81 HD21 LEU 81 -7.656 -0.198 -0.198 547 2HD2 LEU 81 HD23 LEU 81 -7.207 -1.789 -1.789 548 3HD2 LEU 81 HD22 LEU 81 -8.646 -1.596 -1.596 549 H THR 82 HN THR 82 -9.789 0.724 0.724 550 HA THR 82 HA THR 82 -11.175 -0.791 -0.791 551 HB THR 82 HB THR 82 -13.229 0.510 0.510 552 HG1 THR 82 HG1 THR 82 -11.451 1.343 1.343 553 1HG2 THR 82 HG22 THR 82 -11.204 1.138 1.138 554 2HG2 THR 82 HG21 THR 82 -11.885 2.617 2.617 555 3HG2 THR 82 HG23 THR 82 -12.942 1.420 1.420 556 H LEU 83 HN LEU 83 -12.296 -2.564 -2.564 557 HA LEU 83 HA LEU 83 -13.101 -2.943 -2.943 558 1HB LEU 83 HB2 LEU 83 -10.927 -4.119 -4.119 559 2HB LEU 83 HB1 LEU 83 -11.590 -5.064 -5.064 560 HG LEU 83 HG LEU 83 -11.603 -5.931 -5.931 561 1HD1 LEU 83 HD13 LEU 83 -12.688 -6.720 -6.720 562 2HD1 LEU 83 HD12 LEU 83 -14.061 -6.753 -6.753 563 3HD1 LEU 83 HD11 LEU 83 -12.606 -7.680 -7.680 564 1HD2 LEU 83 HD21 LEU 83 -13.194 -3.977 -3.977 565 2HD2 LEU 83 HD23 LEU 83 -13.731 -5.584 -5.584 566 3HD2 LEU 83 HD22 LEU 83 -14.406 -4.831 -4.831 567 H ASP 84 HN ASP 84 -15.145 -2.396 -2.396 568 HA ASP 84 HA ASP 84 -17.122 -4.116 -4.116 569 1HB ASP 84 HB2 ASP 84 -15.419 -4.657 -4.657 570 2HB ASP 84 HB1 ASP 84 -17.170 -4.816 -4.816 571 H GLY 85 HN GLY 85 -15.443 -1.634 -1.634 572 1HA GLY 85 HA2 GLY 85 -16.985 0.461 0.461 573 2HA GLY 85 HA1 GLY 85 -18.007 -0.561 -0.561 574 H ASP 86 HN ASP 86 -14.849 -1.470 -1.470 575 HA ASP 86 HA ASP 86 -14.559 0.647 0.647 576 1HB ASP 86 HB2 ASP 86 -13.869 -1.134 -1.134 577 2HB ASP 86 HB1 ASP 86 -15.551 -1.304 -1.304 578 H ASN 87 HN ASN 87 -12.204 0.266 0.266 579 HA ASN 87 HA ASN 87 -10.395 -0.055 -0.055 580 1HB ASN 87 HB2 ASN 87 -8.816 0.997 0.997 581 2HB ASN 87 HB1 ASN 87 -9.669 1.956 1.956 582 1HD2 ASN 87 HD22 ASN 87 -12.189 3.074 3.074 583 2HD2 ASN 87 HD21 ASN 87 -11.874 2.792 2.792 584 H VAL 88 HN VAL 88 -8.411 -1.272 -1.272 585 HA VAL 88 HA VAL 88 -8.790 -3.696 -3.696 586 HB VAL 88 HB VAL 88 -6.462 -2.506 -2.506 587 1HG1 VAL 88 HG13 VAL 88 -6.480 -5.134 -5.134 588 2HG1 VAL 88 HG12 VAL 88 -5.220 -4.607 -4.607 589 3HG1 VAL 88 HG11 VAL 88 -5.487 -3.732 -3.732 590 1HG2 VAL 88 HG23 VAL 88 -8.479 -3.610 -3.610 591 2HG2 VAL 88 HG22 VAL 88 -6.908 -4.290 -4.290 592 3HG2 VAL 88 HG21 VAL 88 -7.942 -5.121 -5.121 593 H ASN 89 HN ASN 89 -7.019 -4.459 -4.459 594 HA ASN 89 HA ASN 89 -7.069 -2.525 -2.525 595 1HB ASN 89 HB2 ASN 89 -5.550 -5.119 -5.119 596 2HB ASN 89 HB1 ASN 89 -6.352 -4.282 -4.282 597 1HD2 ASN 89 HD22 ASN 89 -8.436 -6.922 -6.922 598 2HD2 ASN 89 HD21 ASN 89 -6.767 -6.688 -6.688 599 H GLY 90 HN GLY 90 -5.202 -2.202 -2.202 600 1HA GLY 90 HA2 GLY 90 -2.870 -1.354 -1.354 601 2HA GLY 90 HA1 GLY 90 -2.581 -2.303 -2.303 602 H PHE 91 HN PHE 91 -5.278 -0.317 -0.317 603 HA PHE 91 HA PHE 91 -3.669 1.579 1.579 604 1HB PHE 91 HB2 PHE 91 -6.270 0.261 0.261 605 2HB PHE 91 HB1 PHE 91 -6.161 1.937 1.937 606 HD1 PHE 91 HD1 PHE 91 -4.599 -1.404 -1.404 607 HD2 PHE 91 HD2 PHE 91 -4.797 2.529 2.529 608 HE1 PHE 91 HE1 PHE 91 -3.191 -2.123 -2.123 609 HE2 PHE 91 HE2 PHE 91 -3.405 1.838 1.838 610 HZ PHE 91 HZ PHE 91 -2.606 -0.514 -0.514 611 HA PRO 92 HA PRO 92 -6.646 4.449 4.449 612 1HB PRO 92 HB2 PRO 92 -7.646 3.552 3.552 613 2HB PRO 92 HB1 PRO 92 -8.530 3.442 3.442 614 1HG PRO 92 HG2 PRO 92 -7.148 1.290 1.290 615 2HG PRO 92 HG1 PRO 92 -8.516 1.171 1.171 616 1HD PRO 92 HD2 PRO 92 -5.841 0.518 0.518 617 2HD PRO 92 HD1 PRO 92 -7.133 0.749 0.749 618 H LYS 93 HN LYS 93 -3.963 2.872 2.872 619 HA LYS 93 HA LYS 93 -3.241 4.243 4.243 620 1HB LYS 93 HB2 LYS 93 -2.790 1.736 1.736 621 2HB LYS 93 HB1 LYS 93 -1.563 2.287 2.287 622 1HG LYS 93 HG2 LYS 93 -0.167 3.039 3.039 623 2HG LYS 93 HG1 LYS 93 -1.503 3.566 3.566 624 1HD LYS 93 HD2 LYS 93 -1.817 0.812 0.812 625 2HD LYS 93 HD1 LYS 93 -0.065 1.015 1.015 626 1HE LYS 93 HE2 LYS 93 -2.017 2.364 2.364 627 2HE LYS 93 HE1 LYS 93 -1.093 0.913 0.913 628 1HZ LYS 93 HZ2 LYS 93 0.099 3.511 3.511 629 2HZ LYS 93 HZ1 LYS 93 -0.034 2.966 2.966 630 3HZ LYS 93 HZ3 LYS 93 0.942 2.124 2.124 631 H THR 94 HN THR 94 -0.895 5.066 5.066 632 HA THR 94 HA THR 94 -0.468 6.421 6.421 633 HB THR 94 HB THR 94 -0.147 7.647 7.647 634 HG1 THR 94 HG1 THR 94 -2.334 7.261 7.261 635 1HG2 THR 94 HG21 THR 94 1.378 8.391 8.391 636 2HG2 THR 94 HG23 THR 94 -0.076 9.000 9.000 637 3HG2 THR 94 HG22 THR 94 0.420 9.653 9.653 638 H VAL 95 HN VAL 95 1.546 6.259 6.259 639 HA VAL 95 HA VAL 95 3.555 5.085 5.085 640 HB VAL 95 HB VAL 95 3.317 5.115 5.115 641 1HG1 VAL 95 HG13 VAL 95 5.652 5.884 5.884 642 2HG1 VAL 95 HG12 VAL 95 5.834 4.313 4.313 643 3HG1 VAL 95 HG11 VAL 95 5.579 4.410 4.410 644 1HG2 VAL 95 HG23 VAL 95 3.314 3.190 3.190 645 2HG2 VAL 95 HG22 VAL 95 2.556 3.073 3.073 646 3HG2 VAL 95 HG21 VAL 95 4.268 2.689 2.689 647 H THR 96 HN THR 96 5.747 6.096 6.096 648 HA THR 96 HA THR 96 5.512 9.011 9.011 649 HB THR 96 HB THR 96 7.045 7.734 7.734 650 HG1 THR 96 HG1 THR 96 5.223 7.767 7.767 651 1HG2 THR 96 HG21 THR 96 7.678 10.059 10.059 652 2HG2 THR 96 HG23 THR 96 6.218 10.614 10.614 653 3HG2 THR 96 HG22 THR 96 7.536 9.901 9.901 654 H VAL 97 HN VAL 97 7.114 10.064 10.064 655 HA VAL 97 HA VAL 97 9.716 8.695 8.695 656 HB VAL 97 HB VAL 97 7.887 10.086 10.086 657 1HG1 VAL 97 HG11 VAL 97 10.905 10.042 10.042 658 2HG1 VAL 97 HG13 VAL 97 9.906 10.309 10.309 659 3HG1 VAL 97 HG12 VAL 97 9.853 11.457 11.457 660 1HG2 VAL 97 HG21 VAL 97 9.619 7.639 7.639 661 2HG2 VAL 97 HG23 VAL 97 7.919 7.763 7.763 662 3HG2 VAL 97 HG22 VAL 97 9.162 8.322 8.322 663 H LYS 98 HN LYS 98 11.462 10.006 10.006 664 HA LYS 98 HA LYS 98 10.805 12.848 12.848 665 1HB LYS 98 HB2 LYS 98 11.951 10.750 10.750 666 2HB LYS 98 HB1 LYS 98 12.927 12.219 12.219 667 1HG LYS 98 HG2 LYS 98 10.704 13.478 13.478 668 2HG LYS 98 HG1 LYS 98 10.034 11.903 11.903 669 1HD LYS 98 HD2 LYS 98 12.526 12.187 12.187 670 2HD LYS 98 HD1 LYS 98 11.590 13.658 13.658 671 1HE LYS 98 HE2 LYS 98 10.232 10.994 10.994 672 2HE LYS 98 HE1 LYS 98 11.237 11.573 11.573 673 1HZ LYS 98 HZ2 LYS 98 9.012 13.100 13.100 674 2HZ LYS 98 HZ1 LYS 98 8.906 12.243 12.243 675 3HZ LYS 98 HZ3 LYS 98 9.940 13.582 13.582 676 HA PRO 99 HA PRO 99 15.361 13.116 13.116 677 1HB PRO 99 HB2 PRO 99 16.769 10.822 10.822 678 2HB PRO 99 HB1 PRO 99 16.655 11.551 11.551 679 1HG PRO 99 HG2 PRO 99 15.282 9.127 9.127 680 2HG PRO 99 HG1 PRO 99 15.736 9.516 9.516 681 1HD PRO 99 HD2 PRO 99 13.155 9.733 9.733 682 2HD PRO 99 HD1 PRO 99 13.698 10.467 10.467 683 H ALA 100 HN ALA 100 14.064 13.807 13.807 684 HA ALA 100 HA ALA 100 14.369 12.007 12.007 685 1HB ALA 100 HB3 ALA 100 12.143 13.271 13.271 686 2HB ALA 100 HB2 ALA 100 12.910 14.624 14.624 687 3HB ALA 100 HB1 ALA 100 12.588 13.124 13.124 Start of MODEL 20 1 1H ALA 1 HT2 ALA 1 -18.132 -8.019 -8.019 2 2H ALA 1 HT1 ALA 1 -19.390 -8.674 -8.674 3 3H ALA 1 HT3 ALA 1 -18.534 -9.663 -9.663 4 HA ALA 1 HA ALA 1 -17.647 -10.209 -10.209 5 1HB ALA 1 HB3 ALA 1 -18.721 -8.119 -8.119 6 2HB ALA 1 HB2 ALA 1 -17.249 -7.268 -7.268 7 3HB ALA 1 HB1 ALA 1 -17.164 -8.623 -8.623 8 H ASP 2 HN ASP 2 -15.922 -11.023 -11.023 9 HA ASP 2 HA ASP 2 -13.788 -11.131 -11.131 10 1HB ASP 2 HB2 ASP 2 -13.128 -10.413 -10.413 11 2HB ASP 2 HB1 ASP 2 -13.442 -8.736 -8.736 12 HA PRO 3 HA PRO 3 -14.616 -7.432 -7.432 13 1HB PRO 3 HB2 PRO 3 -16.247 -8.613 -8.613 14 2HB PRO 3 HB1 PRO 3 -16.875 -7.741 -7.741 15 1HG PRO 3 HG2 PRO 3 -16.764 -10.683 -10.683 16 2HG PRO 3 HG1 PRO 3 -17.891 -9.755 -9.755 17 1HD PRO 3 HD2 PRO 3 -15.686 -11.254 -11.254 18 2HD PRO 3 HD1 PRO 3 -16.618 -10.052 -10.052 19 H GLU 4 HN GLU 4 -13.358 -10.485 -10.485 20 HA GLU 4 HA GLU 4 -11.911 -10.152 -10.152 21 1HB GLU 4 HB2 GLU 4 -13.948 -12.050 -12.050 22 2HB GLU 4 HB1 GLU 4 -12.415 -12.906 -12.906 23 1HG GLU 4 HG2 GLU 4 -12.521 -12.709 -12.709 24 2HG GLU 4 HG1 GLU 4 -12.550 -10.952 -10.952 25 H LYS 5 HN LYS 5 -11.482 -10.380 -10.380 26 HA LYS 5 HA LYS 5 -8.913 -11.826 -11.826 27 1HB LYS 5 HB2 LYS 5 -10.835 -12.331 -12.331 28 2HB LYS 5 HB1 LYS 5 -9.247 -13.070 -13.070 29 1HG LYS 5 HG2 LYS 5 -10.618 -14.723 -14.723 30 2HG LYS 5 HG1 LYS 5 -10.221 -13.796 -13.796 31 1HD LYS 5 HD2 LYS 5 -12.412 -13.411 -13.411 32 2HD LYS 5 HD1 LYS 5 -12.464 -12.534 -12.534 33 1HE LYS 5 HE2 LYS 5 -13.954 -14.176 -14.176 34 2HE LYS 5 HE1 LYS 5 -12.482 -15.075 -15.075 35 1HZ LYS 5 HZ2 LYS 5 -12.728 -15.510 -15.510 36 2HZ LYS 5 HZ1 LYS 5 -14.364 -15.412 -15.412 37 3HZ LYS 5 HZ3 LYS 5 -13.348 -16.548 -16.548 38 H SER 6 HN SER 6 -9.448 -9.075 -9.075 39 HA SER 6 HA SER 6 -8.409 -8.345 -8.345 40 1HB SER 6 HB2 SER 6 -9.628 -6.386 -6.386 41 2HB SER 6 HB1 SER 6 -9.474 -6.257 -6.257 42 HG SER 6 HG SER 6 -11.353 -7.154 -7.154 43 H TYR 7 HN TYR 7 -6.262 -7.897 -7.897 44 HA TYR 7 HA TYR 7 -5.194 -6.391 -6.391 45 1HB TYR 7 HB2 TYR 7 -3.163 -7.932 -7.932 46 2HB TYR 7 HB1 TYR 7 -4.644 -8.645 -8.645 47 HD1 TYR 7 HD1 TYR 7 -6.080 -10.086 -10.086 48 HD2 TYR 7 HD2 TYR 7 -2.156 -8.766 -8.766 49 HE1 TYR 7 HE1 TYR 7 -6.008 -11.831 -11.831 50 HE2 TYR 7 HE2 TYR 7 -2.086 -10.512 -10.512 51 HH TYR 7 HH TYR 7 -3.811 -13.095 -13.095 52 H ALA 8 HN ALA 8 -3.424 -5.060 -5.060 53 HA ALA 8 HA ALA 8 -2.544 -4.959 -4.959 54 1HB ALA 8 HB1 ALA 8 -3.826 -2.903 -2.903 55 2HB ALA 8 HB3 ALA 8 -2.217 -2.390 -2.390 56 3HB ALA 8 HB2 ALA 8 -3.407 -2.875 -2.875 57 H GLU 9 HN GLU 9 -0.324 -5.067 -5.067 58 HA GLU 9 HA GLU 9 1.335 -4.065 -4.065 59 1HB GLU 9 HB2 GLU 9 2.635 -6.398 -6.398 60 2HB GLU 9 HB1 GLU 9 1.363 -6.191 -6.191 61 1HG GLU 9 HG2 GLU 9 -0.241 -7.289 -7.289 62 2HG GLU 9 HG1 GLU 9 0.684 -7.052 -7.052 63 H GLY 10 HN GLY 10 3.338 -3.389 -3.389 64 1HA GLY 10 HA2 GLY 10 4.490 -4.232 -4.232 65 2HA GLY 10 HA1 GLY 10 3.848 -2.594 -2.594 66 HA PRO 11 HA PRO 11 8.100 -2.462 -2.462 67 1HB PRO 11 HB2 PRO 11 9.431 -1.444 -1.444 68 2HB PRO 11 HB1 PRO 11 9.316 -3.180 -3.180 69 1HG PRO 11 HG2 PRO 11 7.896 -1.579 -1.579 70 2HG PRO 11 HG1 PRO 11 8.287 -3.307 -3.307 71 1HD PRO 11 HD2 PRO 11 5.755 -2.161 -2.161 72 2HD PRO 11 HD1 PRO 11 6.235 -3.847 -3.847 73 H GLY 12 HN GLY 12 5.634 -0.629 -0.629 74 1HA GLY 12 HA2 GLY 12 6.972 1.978 1.978 75 2HA GLY 12 HA1 GLY 12 5.570 1.783 1.783 76 H LEU 13 HN LEU 13 5.691 3.493 3.493 77 HA LEU 13 HA LEU 13 3.961 4.114 4.114 78 1HB LEU 13 HB2 LEU 13 2.061 2.969 2.969 79 2HB LEU 13 HB1 LEU 13 2.862 1.784 1.784 80 HG LEU 13 HG LEU 13 3.048 1.626 1.626 81 1HD1 LEU 13 HD12 LEU 13 0.644 1.761 1.761 82 2HD1 LEU 13 HD11 LEU 13 0.983 0.047 0.047 83 3HD1 LEU 13 HD13 LEU 13 0.978 0.727 0.727 84 1HD2 LEU 13 HD22 LEU 13 3.081 -0.458 -0.458 85 2HD2 LEU 13 HD21 LEU 13 4.493 0.118 0.118 86 3HD2 LEU 13 HD23 LEU 13 3.243 -0.803 -0.803 87 H ASP 14 HN ASP 14 6.085 1.458 1.458 88 HA ASP 14 HA ASP 14 5.935 1.034 1.034 89 1HB ASP 14 HB2 ASP 14 8.594 1.377 1.377 90 2HB ASP 14 HB1 ASP 14 8.126 0.207 0.207 91 H GLY 15 HN GLY 15 6.918 3.791 3.791 92 1HA GLY 15 HA2 GLY 15 7.307 5.996 5.996 93 2HA GLY 15 HA1 GLY 15 7.191 5.391 5.391 94 H GLY 16 HN GLY 16 8.993 5.944 5.944 95 1HA GLY 16 HA2 GLY 16 11.276 5.997 5.997 96 2HA GLY 16 HA1 GLY 16 11.529 4.804 4.804 97 H GLU 17 HN GLU 17 11.172 5.924 5.924 98 HA GLU 17 HA GLU 17 12.706 8.489 8.489 99 1HB GLU 17 HB2 GLU 17 13.068 6.099 6.099 100 2HB GLU 17 HB1 GLU 17 13.736 7.666 7.666 101 1HG GLU 17 HG2 GLU 17 15.234 7.641 7.641 102 2HG GLU 17 HG1 GLU 17 14.233 6.547 6.547 103 H CYS 18 HN CYS 18 12.182 10.050 10.050 104 HA CYS 18 HA CYS 18 9.593 9.750 9.750 105 1HB CYS 18 HB2 CYS 18 11.328 12.076 12.076 106 2HB CYS 18 HB1 CYS 18 10.351 12.218 12.218 107 HG CYS 18 HG CYS 18 8.491 11.225 11.225 108 H PHE 19 HN PHE 19 12.974 9.696 9.696 109 HA PHE 19 HA PHE 19 12.404 10.251 10.251 110 1HB PHE 19 HB2 PHE 19 14.964 9.827 9.827 111 2HB PHE 19 HB1 PHE 19 14.936 9.814 9.814 112 HD1 PHE 19 HD1 PHE 19 12.894 11.708 11.708 113 HD2 PHE 19 HD2 PHE 19 15.797 11.936 11.936 114 HE1 PHE 19 HE1 PHE 19 12.652 14.166 14.166 115 HE2 PHE 19 HE2 PHE 19 15.559 14.406 14.406 116 HZ PHE 19 HZ PHE 19 13.953 15.500 15.500 117 H GLN 20 HN GLN 20 11.630 7.782 7.782 118 HA GLN 20 HA GLN 20 12.742 5.735 5.735 119 1HB GLN 20 HB2 GLN 20 12.177 5.648 5.648 120 2HB GLN 20 HB1 GLN 20 10.828 4.790 4.790 121 1HG GLN 20 HG2 GLN 20 12.253 3.209 3.209 122 2HG GLN 20 HG1 GLN 20 13.681 4.212 4.212 123 1HE2 GLN 20 HE22 GLN 20 12.442 3.029 3.029 124 2HE2 GLN 20 HE21 GLN 20 11.551 4.134 4.134 125 HA PRO 21 HA PRO 21 9.033 6.222 6.222 126 1HB PRO 21 HB2 PRO 21 9.030 3.771 3.771 127 2HB PRO 21 HB1 PRO 21 10.047 5.137 5.137 128 1HG PRO 21 HG2 PRO 21 10.807 2.670 2.670 129 2HG PRO 21 HG1 PRO 21 11.779 3.640 3.640 130 1HD PRO 21 HD2 PRO 21 11.998 3.770 3.770 131 2HD PRO 21 HD1 PRO 21 12.506 5.063 5.063 132 H SER 22 HN SER 22 6.900 5.931 5.931 133 HA SER 22 HA SER 22 6.490 3.659 3.659 134 1HB SER 22 HB2 SER 22 5.886 6.344 6.344 135 2HB SER 22 HB1 SER 22 4.348 5.576 5.576 136 HG SER 22 HG SER 22 5.803 5.527 5.527 137 H LYS 23 HN LYS 23 5.747 1.924 1.924 138 HA LYS 23 HA LYS 23 3.278 2.240 2.240 139 1HB LYS 23 HB2 LYS 23 5.642 0.697 0.697 140 2HB LYS 23 HB1 LYS 23 4.120 1.011 1.011 141 1HG LYS 23 HG2 LYS 23 5.323 2.696 2.696 142 2HG LYS 23 HG1 LYS 23 4.875 3.548 3.548 143 1HD LYS 23 HD2 LYS 23 7.188 3.881 3.881 144 2HD LYS 23 HD1 LYS 23 7.044 2.474 2.474 145 1HE LYS 23 HE2 LYS 23 7.105 1.426 1.426 146 2HE LYS 23 HE1 LYS 23 8.334 2.690 2.690 147 1HZ LYS 23 HZ3 LYS 23 9.039 1.644 1.644 148 2HZ LYS 23 HZ2 LYS 23 8.126 0.297 0.297 149 3HZ LYS 23 HZ1 LYS 23 9.442 0.821 0.821 150 H PHE 24 HN PHE 24 1.949 0.541 0.541 151 HA PHE 24 HA PHE 24 3.102 -1.982 -1.982 152 1HB PHE 24 HB2 PHE 24 0.686 -1.547 -1.547 153 2HB PHE 24 HB1 PHE 24 2.318 -1.728 -1.728 154 HD1 PHE 24 HD2 PHE 24 3.838 0.424 0.424 155 HD2 PHE 24 HD1 PHE 24 -0.443 0.420 0.420 156 HE1 PHE 24 HE2 PHE 24 3.887 2.817 2.817 157 HE2 PHE 24 HE1 PHE 24 -0.396 2.818 2.818 158 HZ PHE 24 HZ PHE 24 1.775 4.003 4.003 159 H LYS 25 HN LYS 25 1.558 -3.790 -3.790 160 HA LYS 25 HA LYS 25 -0.460 -3.271 -3.271 161 1HB LYS 25 HB2 LYS 25 1.064 -5.816 -5.816 162 2HB LYS 25 HB1 LYS 25 -0.148 -5.658 -5.658 163 1HG LYS 25 HG2 LYS 25 1.452 -4.928 -4.928 164 2HG LYS 25 HG1 LYS 25 1.694 -3.528 -3.528 165 1HD LYS 25 HD2 LYS 25 3.567 -4.403 -4.403 166 2HD LYS 25 HD1 LYS 25 2.919 -6.044 -6.044 167 1HE LYS 25 HE2 LYS 25 3.214 -5.872 -5.872 168 2HE LYS 25 HE1 LYS 25 4.342 -4.575 -4.575 169 1HZ LYS 25 HZ2 LYS 25 4.736 -6.850 -6.850 170 2HZ LYS 25 HZ1 LYS 25 4.868 -7.267 -7.267 171 3HZ LYS 25 HZ3 LYS 25 5.847 -6.041 -6.041 172 H ILE 26 HN ILE 26 -2.545 -3.968 -3.968 173 HA ILE 26 HA ILE 26 -3.078 -4.985 -4.985 174 HB ILE 26 HB ILE 26 -5.112 -3.805 -3.805 175 1HG1 ILE 26 HG12 ILE 26 -3.210 -2.366 -2.366 176 2HG1 ILE 26 HG11 ILE 26 -3.318 -2.169 -2.169 177 1HG2 ILE 26 HG23 ILE 26 -5.755 -5.023 -5.023 178 2HG2 ILE 26 HG22 ILE 26 -4.934 -3.736 -3.736 179 3HG2 ILE 26 HG21 ILE 26 -6.333 -3.363 -3.363 180 1HD1 ILE 26 HD11 ILE 26 -5.928 -1.746 -1.746 181 2HD1 ILE 26 HD13 ILE 26 -4.903 -0.916 -0.916 182 3HD1 ILE 26 HD12 ILE 26 -4.795 -0.509 -0.509 183 H HIS 27 HN HIS 27 -4.612 -6.659 -6.659 184 HA HIS 27 HA HIS 27 -5.428 -8.143 -8.143 185 1HB HIS 27 HB2 HIS 27 -4.205 -9.598 -9.598 186 2HB HIS 27 HB1 HIS 27 -4.502 -10.201 -10.201 187 HD1 HIS 27 HD1 HIS 27 -2.549 -7.283 -7.283 188 HD2 HIS 27 HD2 HIS 27 -2.162 -10.207 -10.207 189 HE1 HIS 27 HE1 HIS 27 -0.300 -6.918 -6.918 190 H ALA 28 HN ALA 28 -7.585 -8.265 -8.265 191 HA ALA 28 HA ALA 28 -8.749 -8.609 -8.609 192 1HB ALA 28 HB2 ALA 28 -9.679 -7.419 -7.419 193 2HB ALA 28 HB1 ALA 28 -10.899 -8.199 -8.199 194 3HB ALA 28 HB3 ALA 28 -9.944 -6.867 -6.867 195 H VAL 29 HN VAL 29 -10.028 -10.439 -10.439 196 HA VAL 29 HA VAL 29 -10.372 -12.425 -12.425 197 HB VAL 29 HB VAL 29 -9.129 -12.802 -12.802 198 1HG1 VAL 29 HG13 VAL 29 -11.136 -14.595 -14.595 199 2HG1 VAL 29 HG12 VAL 29 -9.649 -15.378 -15.378 200 3HG1 VAL 29 HG11 VAL 29 -10.635 -14.477 -14.477 201 1HG2 VAL 29 HG23 VAL 29 -7.888 -12.699 -12.699 202 2HG2 VAL 29 HG22 VAL 29 -7.579 -14.137 -14.137 203 3HG2 VAL 29 HG21 VAL 29 -8.672 -14.224 -14.224 204 H ASP 30 HN ASP 30 -12.436 -12.994 -12.994 205 HA ASP 30 HA ASP 30 -14.343 -12.374 -12.374 206 1HB ASP 30 HB2 ASP 30 -15.914 -11.897 -11.897 207 2HB ASP 30 HB1 ASP 30 -14.456 -11.524 -11.524 208 HA PRO 31 HA PRO 31 -15.434 -16.616 -16.616 209 1HB PRO 31 HB2 PRO 31 -18.156 -16.750 -16.750 210 2HB PRO 31 HB1 PRO 31 -17.382 -16.044 -16.044 211 1HG PRO 31 HG2 PRO 31 -18.741 -14.672 -14.672 212 2HG PRO 31 HG1 PRO 31 -18.480 -14.107 -14.107 213 1HD PRO 31 HD2 PRO 31 -16.999 -13.342 -13.342 214 2HD PRO 31 HD1 PRO 31 -16.588 -12.969 -12.969 215 H ASP 32 HN ASP 32 -15.017 -15.652 -15.652 216 HA ASP 32 HA ASP 32 -16.301 -18.086 -18.086 217 1HB ASP 32 HB2 ASP 32 -17.271 -15.998 -15.998 218 2HB ASP 32 HB1 ASP 32 -15.657 -15.452 -15.452 219 H GLY 33 HN GLY 33 -13.493 -17.206 -17.206 220 1HA GLY 33 HA2 GLY 33 -11.298 -17.976 -17.976 221 2HA GLY 33 HA1 GLY 33 -11.932 -18.898 -18.898 222 H VAL 34 HN VAL 34 -12.486 -15.503 -15.503 223 HA VAL 34 HA VAL 34 -10.547 -14.729 -14.729 224 HB VAL 34 HB VAL 34 -13.330 -13.709 -13.709 225 1HG1 VAL 34 HG13 VAL 34 -10.891 -13.698 -13.698 226 2HG1 VAL 34 HG12 VAL 34 -11.939 -14.778 -14.778 227 3HG1 VAL 34 HG11 VAL 34 -12.449 -13.121 -13.121 228 1HG2 VAL 34 HG22 VAL 34 -12.486 -16.559 -16.559 229 2HG2 VAL 34 HG21 VAL 34 -13.892 -16.020 -16.020 230 3HG2 VAL 34 HG23 VAL 34 -13.826 -15.768 -15.768 231 H HIS 35 HN HIS 35 -10.986 -12.188 -12.188 232 HA HIS 35 HA HIS 35 -11.042 -11.047 -11.047 233 1HB HIS 35 HB2 HIS 35 -10.338 -9.582 -9.582 234 2HB HIS 35 HB1 HIS 35 -9.880 -9.165 -9.165 235 HD1 HIS 35 HD1 HIS 35 -7.453 -9.652 -9.652 236 HD2 HIS 35 HD2 HIS 35 -9.228 -12.507 -12.507 237 HE1 HIS 35 HE1 HIS 35 -5.648 -11.331 -11.331 238 H ARG 36 HN ARG 36 -13.452 -11.793 -11.793 239 HA ARG 36 HA ARG 36 -15.661 -11.113 -11.113 240 1HB ARG 36 HB2 ARG 36 -14.831 -9.123 -9.123 241 2HB ARG 36 HB1 ARG 36 -14.538 -8.309 -8.309 242 1HG ARG 36 HG2 ARG 36 -16.947 -8.780 -8.780 243 2HG ARG 36 HG1 ARG 36 -17.182 -9.318 -9.318 244 1HD ARG 36 HD2 ARG 36 -16.272 -7.053 -7.053 245 2HD ARG 36 HD1 ARG 36 -16.401 -6.552 -6.552 246 HE ARG 36 HE ARG 36 -18.629 -6.925 -6.925 247 1HH1 ARG 36 HH21 ARG 36 -20.264 -8.219 -8.219 248 2HH1 ARG 36 HH22 ARG 36 -20.642 -7.282 -7.282 249 1HH2 ARG 36 HH11 ARG 36 -17.947 -5.133 -5.133 250 2HH2 ARG 36 HH12 ARG 36 -19.329 -5.536 -5.536 251 H THR 37 HN THR 37 -15.107 -12.220 -12.220 252 HA THR 37 HA THR 37 -15.266 -12.197 -12.197 253 HB THR 37 HB THR 37 -17.220 -11.105 -11.105 254 HG1 THR 37 HG1 THR 37 -18.082 -9.446 -9.446 255 1HG2 THR 37 HG23 THR 37 -17.310 -12.652 -12.652 256 2HG2 THR 37 HG22 THR 37 -18.143 -11.204 -11.204 257 3HG2 THR 37 HG21 THR 37 -18.743 -12.069 -12.069 258 H ASP 38 HN ASP 38 -13.108 -11.395 -11.395 259 HA ASP 38 HA ASP 38 -12.045 -8.877 -8.877 260 1HB ASP 38 HB2 ASP 38 -11.442 -11.155 -11.155 261 2HB ASP 38 HB1 ASP 38 -11.626 -9.894 -9.894 262 H GLY 39 HN GLY 39 -11.975 -7.003 -7.003 263 1HA GLY 39 HA2 GLY 39 -12.873 -5.551 -5.551 264 2HA GLY 39 HA1 GLY 39 -14.079 -6.779 -6.779 265 H GLY 40 HN GLY 40 -15.051 -7.161 -7.161 266 1HA GLY 40 HA2 GLY 40 -16.299 -4.481 -4.481 267 2HA GLY 40 HA1 GLY 40 -17.224 -5.979 -5.979 268 H ASP 41 HN ASP 41 -14.139 -4.761 -4.761 269 HA ASP 41 HA ASP 41 -14.857 -6.135 -6.135 270 1HB ASP 41 HB2 ASP 41 -12.287 -4.655 -4.655 271 2HB ASP 41 HB1 ASP 41 -12.572 -6.035 -6.035 272 H GLY 42 HN GLY 42 -15.752 -4.898 -4.898 273 1HA GLY 42 HA2 GLY 42 -15.982 -2.018 -2.018 274 2HA GLY 42 HA1 GLY 42 -16.426 -2.956 -2.956 275 H PHE 43 HN PHE 43 -13.447 -2.118 -2.118 276 HA PHE 43 HA PHE 43 -12.037 -1.958 -1.958 277 1HB PHE 43 HB2 PHE 43 -11.366 -3.149 -3.149 278 2HB PHE 43 HB1 PHE 43 -10.343 -1.717 -1.717 279 HD1 PHE 43 HD2 PHE 43 -10.266 -1.628 -1.628 280 HD2 PHE 43 HD1 PHE 43 -9.641 -4.778 -4.778 281 HE1 PHE 43 HE2 PHE 43 -8.793 -2.804 -2.804 282 HE2 PHE 43 HE1 PHE 43 -8.168 -5.953 -5.953 283 HZ PHE 43 HZ PHE 43 -7.746 -4.966 -4.966 284 H VAL 44 HN VAL 44 -11.421 -0.048 -0.048 285 HA VAL 44 HA VAL 44 -10.944 2.210 2.210 286 HB VAL 44 HB VAL 44 -13.002 3.010 3.010 287 1HG1 VAL 44 HG11 VAL 44 -12.665 0.990 0.990 288 2HG1 VAL 44 HG13 VAL 44 -13.507 2.434 2.434 289 3HG1 VAL 44 HG12 VAL 44 -14.129 1.527 1.527 290 1HG2 VAL 44 HG22 VAL 44 -10.962 4.279 4.279 291 2HG2 VAL 44 HG21 VAL 44 -12.641 4.764 4.764 292 3HG2 VAL 44 HG23 VAL 44 -11.842 3.745 3.745 293 H VAL 45 HN VAL 45 -8.830 2.679 2.679 294 HA VAL 45 HA VAL 45 -7.901 2.631 2.631 295 HB VAL 45 HB VAL 45 -6.265 1.976 1.976 296 1HG1 VAL 45 HG12 VAL 45 -5.658 1.966 1.966 297 2HG1 VAL 45 HG11 VAL 45 -4.629 1.192 1.192 298 3HG1 VAL 45 HG13 VAL 45 -4.874 2.938 2.938 299 1HG2 VAL 45 HG22 VAL 45 -8.122 0.396 0.396 300 2HG2 VAL 45 HG21 VAL 45 -6.968 -0.152 -0.152 301 3HG2 VAL 45 HG23 VAL 45 -6.519 -0.149 -0.149 302 H THR 46 HN THR 46 -6.394 4.258 4.258 303 HA THR 46 HA THR 46 -5.709 6.321 6.321 304 HB THR 46 HB THR 46 -6.975 7.871 7.871 305 HG1 THR 46 HG1 THR 46 -9.110 6.453 6.453 306 1HG2 THR 46 HG23 THR 46 -6.834 8.211 8.211 307 2HG2 THR 46 HG22 THR 46 -8.098 6.996 6.996 308 3HG2 THR 46 HG21 THR 46 -8.445 8.501 8.501 309 H ILE 47 HN ILE 47 -3.832 7.197 7.197 310 HA ILE 47 HA ILE 47 -3.037 7.089 7.089 311 HB ILE 47 HB ILE 47 -1.443 6.623 6.623 312 1HG1 ILE 47 HG12 ILE 47 -2.055 5.208 5.208 313 2HG1 ILE 47 HG11 ILE 47 -1.698 4.549 4.549 314 1HG2 ILE 47 HG23 ILE 47 -0.328 7.637 7.637 315 2HG2 ILE 47 HG22 ILE 47 0.640 7.048 7.048 316 3HG2 ILE 47 HG21 ILE 47 -0.315 8.511 8.511 317 1HD1 ILE 47 HD13 ILE 47 0.722 5.398 5.398 318 2HD1 ILE 47 HD12 ILE 47 0.235 5.479 5.479 319 3HD1 ILE 47 HD11 ILE 47 0.203 3.936 3.936 320 H GLU 48 HN GLU 48 -1.743 8.913 8.913 321 HA GLU 48 HA GLU 48 -1.174 11.067 11.067 322 1HB GLU 48 HB2 GLU 48 -2.945 12.568 12.568 323 2HB GLU 48 HB1 GLU 48 -3.244 11.993 11.993 324 1HG GLU 48 HG2 GLU 48 -4.644 10.293 10.293 325 2HG GLU 48 HG1 GLU 48 -3.841 10.135 10.135 326 H GLY 49 HN GLY 49 -0.203 12.880 12.880 327 1HA GLY 49 HA2 GLY 49 0.161 12.886 12.886 328 2HA GLY 49 HA1 GLY 49 1.604 12.389 12.389 329 HA PRO 50 HA PRO 50 1.492 17.020 17.020 330 1HB PRO 50 HB2 PRO 50 3.960 17.312 17.312 331 2HB PRO 50 HB1 PRO 50 2.444 17.189 17.189 332 1HG PRO 50 HG2 PRO 50 4.584 15.142 15.142 333 2HG PRO 50 HG1 PRO 50 3.428 15.331 15.331 334 1HD PRO 50 HD2 PRO 50 3.235 13.449 13.449 335 2HD PRO 50 HD1 PRO 50 1.936 13.885 13.885 336 H ALA 51 HN ALA 51 1.772 16.183 16.183 337 HA ALA 51 HA ALA 51 4.324 17.244 17.244 338 1HB ALA 51 HB3 ALA 51 4.175 14.514 14.514 339 2HB ALA 51 HB2 ALA 51 3.790 14.647 14.647 340 3HB ALA 51 HB1 ALA 51 5.306 15.304 15.304 341 HA PRO 52 HA PRO 52 1.921 18.162 18.162 342 1HB PRO 52 HB2 PRO 52 3.440 17.343 17.343 343 2HB PRO 52 HB1 PRO 52 3.813 18.766 18.766 344 1HG PRO 52 HG2 PRO 52 5.150 16.103 16.103 345 2HG PRO 52 HG1 PRO 52 5.804 17.681 17.681 346 1HD PRO 52 HD2 PRO 52 4.950 15.639 15.639 347 2HD PRO 52 HD1 PRO 52 5.311 17.320 17.320 348 H VAL 53 HN VAL 53 3.363 15.022 15.022 349 HA VAL 53 HA VAL 53 0.758 14.224 14.224 350 HB VAL 53 HB VAL 53 3.394 12.722 12.722 351 1HG1 VAL 53 HG12 VAL 53 0.999 11.603 11.603 352 2HG1 VAL 53 HG11 VAL 53 1.280 12.229 12.229 353 3HG1 VAL 53 HG13 VAL 53 2.428 11.102 11.102 354 1HG2 VAL 53 HG22 VAL 53 2.330 14.848 14.848 355 2HG2 VAL 53 HG21 VAL 53 4.000 14.374 14.374 356 3HG2 VAL 53 HG23 VAL 53 3.020 13.459 13.459 357 H ASP 54 HN ASP 54 -0.360 14.109 14.109 358 HA ASP 54 HA ASP 54 0.625 11.978 11.978 359 1HB ASP 54 HB2 ASP 54 -1.569 14.037 14.037 360 2HB ASP 54 HB1 ASP 54 -1.219 12.805 12.805 361 HA PRO 55 HA PRO 55 -3.657 10.214 10.214 362 1HB PRO 55 HB2 PRO 55 -5.100 11.459 11.459 363 2HB PRO 55 HB1 PRO 55 -5.207 11.903 11.903 364 1HG PRO 55 HG2 PRO 55 -3.901 13.368 13.368 365 2HG PRO 55 HG1 PRO 55 -4.504 13.987 13.987 366 1HD PRO 55 HD2 PRO 55 -1.782 13.432 13.432 367 2HD PRO 55 HD1 PRO 55 -2.417 13.887 13.887 368 H VAL 56 HN VAL 56 -2.684 8.397 8.397 369 HA VAL 56 HA VAL 56 -2.686 8.540 8.540 370 HB VAL 56 HB VAL 56 -0.433 7.363 7.363 371 1HG1 VAL 56 HG13 VAL 56 -1.105 7.767 7.767 372 2HG1 VAL 56 HG12 VAL 56 0.589 7.918 7.918 373 3HG1 VAL 56 HG11 VAL 56 -0.282 6.416 6.416 374 1HG2 VAL 56 HG23 VAL 56 -0.683 10.115 10.115 375 2HG2 VAL 56 HG22 VAL 56 -0.416 9.755 9.755 376 3HG2 VAL 56 HG21 VAL 56 0.848 9.412 9.412 377 H MET 57 HN MET 57 -4.394 6.987 6.987 378 HA MET 57 HA MET 57 -3.515 4.270 4.270 379 1HB MET 57 HB2 MET 57 -5.561 3.690 3.690 380 2HB MET 57 HB1 MET 57 -5.018 5.200 5.200 381 1HG MET 57 HG2 MET 57 -6.920 5.192 5.192 382 2HG MET 57 HG1 MET 57 -7.507 5.028 5.028 383 1HE MET 57 HE2 MET 57 -8.911 6.976 6.976 384 2HE MET 57 HE1 MET 57 -8.401 8.662 8.662 385 3HE MET 57 HE3 MET 57 -8.031 7.587 7.587 386 H VAL 58 HN VAL 58 -4.017 2.721 2.721 387 HA VAL 58 HA VAL 58 -5.971 3.416 3.416 388 HB VAL 58 HB VAL 58 -3.583 1.930 1.930 389 1HG1 VAL 58 HG13 VAL 58 -5.593 2.827 2.827 390 2HG1 VAL 58 HG12 VAL 58 -4.834 4.410 4.410 391 3HG1 VAL 58 HG11 VAL 58 -3.981 3.109 3.109 392 1HG2 VAL 58 HG23 VAL 58 -2.530 3.607 3.607 393 2HG2 VAL 58 HG22 VAL 58 -2.205 3.976 3.976 394 3HG2 VAL 58 HG21 VAL 58 -3.430 4.889 4.889 395 H ASP 59 HN ASP 59 -6.770 1.517 1.517 396 HA ASP 59 HA ASP 59 -6.608 -0.971 -0.971 397 1HB ASP 59 HB2 ASP 59 -8.867 -0.297 -0.297 398 2HB ASP 59 HB1 ASP 59 -8.775 0.234 0.234 399 H ASN 60 HN ASN 60 -5.915 -2.851 -2.851 400 HA ASN 60 HA ASN 60 -4.827 -2.620 -2.620 401 1HB ASN 60 HB2 ASN 60 -4.579 -4.666 -4.666 402 2HB ASN 60 HB1 ASN 60 -4.012 -5.008 -5.008 403 1HD2 ASN 60 HD22 ASN 60 -1.242 -2.766 -2.766 404 2HD2 ASN 60 HD21 ASN 60 -2.241 -3.636 -3.636 405 H GLY 61 HN GLY 61 -7.598 -4.049 -4.049 406 1HA GLY 61 HA2 GLY 61 -9.479 -4.934 -4.934 407 2HA GLY 61 HA1 GLY 61 -8.558 -4.899 -4.899 408 H ASP 62 HN ASP 62 -6.761 -6.354 -6.354 409 HA ASP 62 HA ASP 62 -7.606 -9.061 -9.061 410 1HB ASP 62 HB2 ASP 62 -5.291 -9.783 -9.783 411 2HB ASP 62 HB1 ASP 62 -5.342 -8.359 -8.359 412 H GLY 63 HN GLY 63 -8.609 -7.580 -7.580 413 1HA GLY 63 HA2 GLY 63 -9.286 -8.324 -8.324 414 2HA GLY 63 HA1 GLY 63 -8.231 -9.723 -9.723 415 H THR 64 HN THR 64 -6.249 -7.296 -7.296 416 HA THR 64 HA THR 64 -5.469 -6.744 -6.744 417 HB THR 64 HB THR 64 -3.082 -6.743 -6.743 418 HG1 THR 64 HG1 THR 64 -3.209 -6.768 -6.768 419 1HG2 THR 64 HG23 THR 64 -4.468 -8.679 -8.679 420 2HG2 THR 64 HG22 THR 64 -4.241 -9.471 -9.471 421 3HG2 THR 64 HG21 THR 64 -2.840 -8.967 -8.967 422 H TYR 65 HN TYR 65 -4.654 -4.633 -4.633 423 HA TYR 65 HA TYR 65 -4.853 -2.766 -2.766 424 1HB TYR 65 HB2 TYR 65 -5.749 -2.292 -2.292 425 2HB TYR 65 HB1 TYR 65 -5.800 -1.094 -1.094 426 HD1 TYR 65 HD1 TYR 65 -6.818 -4.657 -4.657 427 HD2 TYR 65 HD2 TYR 65 -7.770 -0.902 -0.902 428 HE1 TYR 65 HE1 TYR 65 -8.923 -5.611 -5.611 429 HE2 TYR 65 HE2 TYR 65 -9.882 -1.851 -1.851 430 HH TYR 65 HH TYR 65 -10.515 -4.983 -4.983 431 H ASP 66 HN ASP 66 -3.485 -0.847 -0.847 432 HA ASP 66 HA ASP 66 -1.196 -1.234 -1.234 433 1HB ASP 66 HB2 ASP 66 -1.108 -0.361 -0.361 434 2HB ASP 66 HB1 ASP 66 0.278 -0.365 -0.365 435 H VAL 67 HN VAL 67 -0.702 0.540 0.540 436 HA VAL 67 HA VAL 67 -1.783 3.152 3.152 437 HB VAL 67 HB VAL 67 -2.443 3.698 3.698 438 1HG1 VAL 67 HG11 VAL 67 -3.703 1.759 1.759 439 2HG1 VAL 67 HG13 VAL 67 -2.941 0.727 0.727 440 3HG1 VAL 67 HG12 VAL 67 -4.030 2.021 2.021 441 1HG2 VAL 67 HG21 VAL 67 -0.539 1.542 1.542 442 2HG2 VAL 67 HG23 VAL 67 -0.706 3.166 3.166 443 3HG2 VAL 67 HG22 VAL 67 -1.875 1.915 1.915 444 H GLU 68 HN GLU 68 -0.265 4.951 4.951 445 HA GLU 68 HA GLU 68 2.319 4.328 4.328 446 1HB GLU 68 HB2 GLU 68 2.261 5.243 5.243 447 2HB GLU 68 HB1 GLU 68 3.673 4.779 4.779 448 1HG GLU 68 HG2 GLU 68 3.302 2.825 2.825 449 2HG GLU 68 HG1 GLU 68 2.352 2.489 2.489 450 H PHE 69 HN PHE 69 3.128 6.078 6.078 451 HA PHE 69 HA PHE 69 2.602 8.751 8.751 452 1HB PHE 69 HB2 PHE 69 2.117 9.796 9.796 453 2HB PHE 69 HB1 PHE 69 1.014 8.435 8.435 454 HD1 PHE 69 HD2 PHE 69 2.184 6.111 6.111 455 HD2 PHE 69 HD1 PHE 69 3.094 10.069 10.069 456 HE1 PHE 69 HE2 PHE 69 3.067 5.180 5.180 457 HE2 PHE 69 HE1 PHE 69 3.968 9.129 9.129 458 HZ PHE 69 HZ PHE 69 3.940 6.663 6.663 459 H GLU 70 HN GLU 70 4.352 10.320 10.320 460 HA GLU 70 HA GLU 70 6.734 9.100 9.100 461 1HB GLU 70 HB2 GLU 70 7.030 8.487 8.487 462 2HB GLU 70 HB1 GLU 70 6.661 10.127 10.127 463 1HG GLU 70 HG2 GLU 70 8.718 10.535 10.535 464 2HG GLU 70 HG1 GLU 70 9.180 9.018 9.018 465 HA PRO 71 HA PRO 71 6.504 13.445 13.445 466 1HB PRO 71 HB2 PRO 71 7.839 13.030 13.030 467 2HB PRO 71 HB1 PRO 71 6.107 12.731 12.731 468 1HG PRO 71 HG2 PRO 71 8.335 10.769 10.769 469 2HG PRO 71 HG1 PRO 71 6.619 10.561 10.561 470 1HD PRO 71 HD2 PRO 71 7.943 9.653 9.653 471 2HD PRO 71 HD1 PRO 71 6.188 9.693 9.693 472 H LYS 72 HN LYS 72 8.628 14.486 14.486 473 HA LYS 72 HA LYS 72 11.121 13.989 13.989 474 1HB LYS 72 HB2 LYS 72 11.218 16.680 16.680 475 2HB LYS 72 HB1 LYS 72 10.563 15.771 15.771 476 1HG LYS 72 HG2 LYS 72 8.325 16.130 16.130 477 2HG LYS 72 HG1 LYS 72 8.814 16.627 16.627 478 1HD LYS 72 HD2 LYS 72 9.433 18.743 18.743 479 2HD LYS 72 HD1 LYS 72 9.851 18.209 18.209 480 1HE LYS 72 HE2 LYS 72 7.188 17.683 17.683 481 2HE LYS 72 HE1 LYS 72 7.233 19.067 19.067 482 1HZ LYS 72 HZ1 LYS 72 8.722 20.101 20.101 483 2HZ LYS 72 HZ3 LYS 72 8.089 18.907 18.907 484 3HZ LYS 72 HZ2 LYS 72 7.050 20.030 20.030 485 H GLU 73 HN GLU 73 9.850 16.272 16.272 486 HA GLU 73 HA GLU 73 12.419 16.033 16.033 487 1HB GLU 73 HB2 GLU 73 11.469 17.893 17.893 488 2HB GLU 73 HB1 GLU 73 11.501 18.265 18.265 489 1HG GLU 73 HG2 GLU 73 9.167 17.849 17.849 490 2HG GLU 73 HG1 GLU 73 9.061 17.066 17.066 491 H ALA 74 HN ALA 74 10.493 16.752 16.752 492 HA ALA 74 HA ALA 74 10.340 13.942 13.942 493 1HB ALA 74 HB3 ALA 74 10.860 16.454 16.454 494 2HB ALA 74 HB2 ALA 74 9.411 15.761 15.761 495 3HB ALA 74 HB1 ALA 74 10.919 14.844 14.844 496 H GLY 75 HN GLY 75 8.424 12.865 12.865 497 1HA GLY 75 HA2 GLY 75 5.916 14.363 14.363 498 2HA GLY 75 HA1 GLY 75 6.143 13.515 13.515 499 H ASP 76 HN ASP 76 4.079 12.981 12.981 500 HA ASP 76 HA ASP 76 4.808 10.220 10.220 501 1HB ASP 76 HB2 ASP 76 3.143 10.395 10.395 502 2HB ASP 76 HB1 ASP 76 4.074 11.889 11.889 503 H TYR 77 HN TYR 77 3.146 8.622 8.622 504 HA TYR 77 HA TYR 77 1.495 9.462 9.462 505 1HB TYR 77 HB2 TYR 77 2.354 6.646 6.646 506 2HB TYR 77 HB1 TYR 77 1.712 7.285 7.285 507 HD1 TYR 77 HD1 TYR 77 3.409 9.932 9.932 508 HD2 TYR 77 HD2 TYR 77 4.304 5.739 5.739 509 HE1 TYR 77 HE1 TYR 77 5.686 10.410 10.410 510 HE2 TYR 77 HE2 TYR 77 6.574 6.207 6.207 511 HH TYR 77 HH TYR 77 7.487 8.883 8.883 512 H VAL 78 HN VAL 78 -0.589 9.033 9.033 513 HA VAL 78 HA VAL 78 -1.720 7.407 7.407 514 HB VAL 78 HB VAL 78 -2.548 9.560 9.560 515 1HG1 VAL 78 HG13 VAL 78 -2.537 9.807 9.807 516 2HG1 VAL 78 HG12 VAL 78 -3.576 10.866 10.866 517 3HG1 VAL 78 HG11 VAL 78 -1.831 10.884 10.884 518 1HG2 VAL 78 HG23 VAL 78 -4.283 7.654 7.654 519 2HG2 VAL 78 HG22 VAL 78 -4.844 9.299 9.299 520 3HG2 VAL 78 HG21 VAL 78 -4.692 8.707 8.707 521 H ILE 79 HN ILE 79 -2.650 5.623 5.623 522 HA ILE 79 HA ILE 79 -3.139 5.515 5.515 523 HB ILE 79 HB ILE 79 -3.336 2.943 2.943 524 1HG1 ILE 79 HG12 ILE 79 -0.714 4.442 4.442 525 2HG1 ILE 79 HG11 ILE 79 -1.794 3.991 3.991 526 1HG2 ILE 79 HG21 ILE 79 -2.823 3.688 3.688 527 2HG2 ILE 79 HG23 ILE 79 -1.160 3.815 3.815 528 3HG2 ILE 79 HG22 ILE 79 -2.005 2.270 2.270 529 1HD1 ILE 79 HD12 ILE 79 -1.063 1.772 1.772 530 2HD1 ILE 79 HD11 ILE 79 0.275 2.440 2.440 531 3HD1 ILE 79 HD13 ILE 79 -1.148 1.811 1.811 532 H ASN 80 HN ASN 80 -4.867 4.378 4.378 533 HA ASN 80 HA ASN 80 -7.193 3.887 3.887 534 1HB ASN 80 HB2 ASN 80 -7.528 5.643 5.643 535 2HB ASN 80 HB1 ASN 80 -8.625 5.411 5.411 536 1HD2 ASN 80 HD22 ASN 80 -6.740 7.586 7.586 537 2HD2 ASN 80 HD21 ASN 80 -7.626 6.139 6.139 538 H LEU 81 HN LEU 81 -7.693 1.887 1.887 539 HA LEU 81 HA LEU 81 -8.004 1.332 1.332 540 1HB LEU 81 HB2 LEU 81 -5.903 0.300 0.300 541 2HB LEU 81 HB1 LEU 81 -6.254 -0.167 -0.167 542 HG LEU 81 HG LEU 81 -7.990 -1.284 -1.284 543 1HD1 LEU 81 HD12 LEU 81 -5.093 -1.742 -1.742 544 2HD1 LEU 81 HD11 LEU 81 -6.076 -3.207 -3.207 545 3HD1 LEU 81 HD13 LEU 81 -6.149 -2.071 -2.071 546 1HD2 LEU 81 HD22 LEU 81 -7.223 -1.762 -1.762 547 2HD2 LEU 81 HD21 LEU 81 -8.709 -2.196 -2.196 548 3HD2 LEU 81 HD23 LEU 81 -7.285 -3.225 -3.225 549 H THR 82 HN THR 82 -9.978 0.496 0.496 550 HA THR 82 HA THR 82 -11.174 -0.997 -0.997 551 HB THR 82 HB THR 82 -13.329 0.271 0.271 552 HG1 THR 82 HG1 THR 82 -11.592 1.319 1.319 553 1HG2 THR 82 HG23 THR 82 -11.482 0.724 0.724 554 2HG2 THR 82 HG22 THR 82 -11.307 2.222 2.222 555 3HG2 THR 82 HG21 THR 82 -12.869 1.788 1.788 556 H LEU 83 HN LEU 83 -12.408 -2.726 -2.726 557 HA LEU 83 HA LEU 83 -13.258 -3.068 -3.068 558 1HB LEU 83 HB2 LEU 83 -11.059 -4.305 -4.305 559 2HB LEU 83 HB1 LEU 83 -11.992 -5.347 -5.347 560 HG LEU 83 HG LEU 83 -11.675 -6.166 -6.166 561 1HD1 LEU 83 HD11 LEU 83 -13.421 -6.961 -6.961 562 2HD1 LEU 83 HD13 LEU 83 -14.550 -5.850 -5.850 563 3HD1 LEU 83 HD12 LEU 83 -13.848 -7.175 -7.175 564 1HD2 LEU 83 HD21 LEU 83 -12.442 -3.681 -3.681 565 2HD2 LEU 83 HD23 LEU 83 -12.748 -5.080 -5.080 566 3HD2 LEU 83 HD22 LEU 83 -14.026 -4.455 -4.455 567 H ASP 84 HN ASP 84 -15.284 -2.433 -2.433 568 HA ASP 84 HA ASP 84 -17.329 -4.056 -4.056 569 1HB ASP 84 HB2 ASP 84 -15.615 -4.828 -4.828 570 2HB ASP 84 HB1 ASP 84 -17.371 -4.913 -4.913 571 H GLY 85 HN GLY 85 -15.515 -1.716 -1.716 572 1HA GLY 85 HA2 GLY 85 -16.984 0.412 0.412 573 2HA GLY 85 HA1 GLY 85 -17.991 -0.640 -0.640 574 H ASP 86 HN ASP 86 -14.922 -1.775 -1.775 575 HA ASP 86 HA ASP 86 -14.389 0.175 0.175 576 1HB ASP 86 HB2 ASP 86 -15.209 -2.493 -2.493 577 2HB ASP 86 HB1 ASP 86 -13.464 -2.530 -2.530 578 H ASN 87 HN ASN 87 -11.951 -0.251 -0.251 579 HA ASN 87 HA ASN 87 -10.388 -0.585 -0.585 580 1HB ASN 87 HB2 ASN 87 -8.614 0.646 0.646 581 2HB ASN 87 HB1 ASN 87 -9.878 1.569 1.569 582 1HD2 ASN 87 HD22 ASN 87 -10.951 2.835 2.835 583 2HD2 ASN 87 HD21 ASN 87 -10.573 3.140 3.140 584 H VAL 88 HN VAL 88 -8.286 -1.602 -1.602 585 HA VAL 88 HA VAL 88 -8.484 -4.040 -4.040 586 HB VAL 88 HB VAL 88 -6.390 -2.750 -2.750 587 1HG1 VAL 88 HG13 VAL 88 -5.144 -3.688 -3.688 588 2HG1 VAL 88 HG12 VAL 88 -5.899 -5.251 -5.251 589 3HG1 VAL 88 HG11 VAL 88 -4.803 -4.551 -4.551 590 1HG2 VAL 88 HG21 VAL 88 -7.796 -5.429 -5.429 591 2HG2 VAL 88 HG23 VAL 88 -8.185 -4.085 -4.085 592 3HG2 VAL 88 HG22 VAL 88 -6.650 -4.936 -4.936 593 H ASN 89 HN ASN 89 -6.589 -4.713 -4.713 594 HA ASN 89 HA ASN 89 -6.629 -2.760 -2.760 595 1HB ASN 89 HB2 ASN 89 -5.534 -5.558 -5.558 596 2HB ASN 89 HB1 ASN 89 -5.287 -4.591 -4.591 597 1HD2 ASN 89 HD22 ASN 89 -8.371 -5.898 -5.898 598 2HD2 ASN 89 HD21 ASN 89 -6.693 -5.812 -5.812 599 H GLY 90 HN GLY 90 -4.983 -2.167 -2.167 600 1HA GLY 90 HA2 GLY 90 -2.563 -1.351 -1.351 601 2HA GLY 90 HA1 GLY 90 -2.300 -2.358 -2.358 602 H PHE 91 HN PHE 91 -5.005 -0.195 -0.195 603 HA PHE 91 HA PHE 91 -3.523 1.539 1.539 604 1HB PHE 91 HB2 PHE 91 -6.127 0.206 0.206 605 2HB PHE 91 HB1 PHE 91 -6.078 1.873 1.873 606 HD1 PHE 91 HD1 PHE 91 -4.273 -1.369 -1.369 607 HD2 PHE 91 HD2 PHE 91 -5.036 2.388 2.388 608 HE1 PHE 91 HE1 PHE 91 -2.958 -2.097 -2.097 609 HE2 PHE 91 HE2 PHE 91 -3.730 1.673 1.673 610 HZ PHE 91 HZ PHE 91 -2.694 -0.591 -0.591 611 HA PRO 92 HA PRO 92 -6.355 4.584 4.584 612 1HB PRO 92 HB2 PRO 92 -7.552 3.800 3.800 613 2HB PRO 92 HB1 PRO 92 -8.348 3.750 3.750 614 1HG PRO 92 HG2 PRO 92 -7.235 1.504 1.504 615 2HG PRO 92 HG1 PRO 92 -8.541 1.488 1.488 616 1HD PRO 92 HD2 PRO 92 -5.909 0.613 0.613 617 2HD PRO 92 HD1 PRO 92 -7.095 0.952 0.952 618 H LYS 93 HN LYS 93 -3.782 2.926 2.926 619 HA LYS 93 HA LYS 93 -3.156 4.297 4.297 620 1HB LYS 93 HB2 LYS 93 -2.685 1.770 1.770 621 2HB LYS 93 HB1 LYS 93 -1.356 2.367 2.367 622 1HG LYS 93 HG2 LYS 93 -0.597 3.703 3.703 623 2HG LYS 93 HG1 LYS 93 -1.782 2.796 2.796 624 1HD LYS 93 HD2 LYS 93 -0.591 0.726 0.726 625 2HD LYS 93 HD1 LYS 93 0.758 1.862 1.862 626 1HE LYS 93 HE2 LYS 93 1.127 1.736 1.736 627 2HE LYS 93 HE1 LYS 93 -0.594 1.840 1.840 628 1HZ LYS 93 HZ3 LYS 93 0.399 -0.628 -0.628 629 2HZ LYS 93 HZ2 LYS 93 0.771 -0.348 -0.348 630 3HZ LYS 93 HZ1 LYS 93 -0.850 -0.403 -0.403 631 H THR 94 HN THR 94 -1.068 5.399 5.399 632 HA THR 94 HA THR 94 -0.444 6.663 6.663 633 HB THR 94 HB THR 94 -0.087 7.849 7.849 634 HG1 THR 94 HG1 THR 94 -2.310 7.383 7.383 635 1HG2 THR 94 HG22 THR 94 0.036 8.993 8.993 636 2HG2 THR 94 HG21 THR 94 0.102 9.954 9.954 637 3HG2 THR 94 HG23 THR 94 1.385 8.799 8.799 638 H VAL 95 HN VAL 95 1.542 6.349 6.349 639 HA VAL 95 HA VAL 95 3.542 5.272 5.272 640 HB VAL 95 HB VAL 95 3.316 5.134 5.134 641 1HG1 VAL 95 HG12 VAL 95 5.707 5.759 5.759 642 2HG1 VAL 95 HG11 VAL 95 5.730 4.080 4.080 643 3HG1 VAL 95 HG13 VAL 95 5.523 4.464 4.464 644 1HG2 VAL 95 HG22 VAL 95 2.269 3.427 3.427 645 2HG2 VAL 95 HG21 VAL 95 3.424 2.768 2.768 646 3HG2 VAL 95 HG23 VAL 95 3.901 3.007 3.007 647 H THR 96 HN THR 96 5.736 6.312 6.312 648 HA THR 96 HA THR 96 5.485 9.141 9.141 649 HB THR 96 HB THR 96 6.865 8.124 8.124 650 HG1 THR 96 HG1 THR 96 5.020 8.444 8.444 651 1HG2 THR 96 HG23 THR 96 7.750 10.232 10.232 652 2HG2 THR 96 HG22 THR 96 6.243 10.987 10.987 653 3HG2 THR 96 HG21 THR 96 7.379 10.369 10.369 654 H VAL 97 HN VAL 97 7.112 10.090 10.090 655 HA VAL 97 HA VAL 97 9.706 8.636 8.636 656 HB VAL 97 HB VAL 97 8.013 10.101 10.101 657 1HG1 VAL 97 HG11 VAL 97 11.028 9.857 9.857 658 2HG1 VAL 97 HG13 VAL 97 10.078 10.161 10.161 659 3HG1 VAL 97 HG12 VAL 97 10.075 11.338 11.338 660 1HG2 VAL 97 HG22 VAL 97 9.594 7.544 7.544 661 2HG2 VAL 97 HG21 VAL 97 7.916 7.771 7.771 662 3HG2 VAL 97 HG23 VAL 97 9.223 8.249 8.249 663 H LYS 98 HN LYS 98 11.558 9.982 9.982 664 HA LYS 98 HA LYS 98 10.986 12.514 12.514 665 1HB LYS 98 HB2 LYS 98 13.775 11.514 11.514 666 2HB LYS 98 HB1 LYS 98 12.980 12.178 12.178 667 1HG LYS 98 HG2 LYS 98 11.542 9.931 9.931 668 2HG LYS 98 HG1 LYS 98 13.031 9.372 9.372 669 1HD LYS 98 HD2 LYS 98 14.095 10.607 10.607 670 2HD LYS 98 HD1 LYS 98 12.529 10.166 10.166 671 1HE LYS 98 HE2 LYS 98 14.612 8.328 8.328 672 2HE LYS 98 HE1 LYS 98 13.978 8.319 8.319 673 1HZ LYS 98 HZ1 LYS 98 11.728 7.990 7.990 674 2HZ LYS 98 HZ3 LYS 98 12.751 7.348 7.348 675 3HZ LYS 98 HZ2 LYS 98 12.734 6.670 6.670 676 HA PRO 99 HA PRO 99 12.539 15.268 15.268 677 1HB PRO 99 HB2 PRO 99 14.863 16.437 16.437 678 2HB PRO 99 HB1 PRO 99 13.235 16.855 16.855 679 1HG PRO 99 HG2 PRO 99 15.333 15.223 15.223 680 2HG PRO 99 HG1 PRO 99 14.038 16.203 16.203 681 1HD PRO 99 HD2 PRO 99 14.019 13.420 13.420 682 2HD PRO 99 HD1 PRO 99 12.580 14.420 14.420 683 H ALA 100 HN ALA 100 12.957 13.907 13.907 684 HA ALA 100 HA ALA 100 15.084 12.214 12.214 685 1HB ALA 100 HB2 ALA 100 12.937 12.945 12.945 686 2HB ALA 100 HB1 ALA 100 14.101 13.972 13.972 687 3HB ALA 100 HB3 ALA 100 14.327 12.223 12.223
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