NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17823 | 2d7m | 10328 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 18.628 -14.211 -5.186 2 HA2 GLY 1 1HA GLY 1 20.508 -15.697 -6.274 3 HA3 GLY 1 2HA GLY 1 20.510 -14.367 -7.422 4 H SER 2 H SER 2 22.717 -15.169 -5.818 5 HA SER 2 HA SER 2 23.048 -13.629 -3.499 6 HB2 SER 2 1HB SER 2 25.494 -13.967 -3.888 7 HB3 SER 2 2HB SER 2 24.557 -15.458 -3.986 8 HG SER 2 HG SER 2 25.603 -15.624 -5.819 9 H SER 3 H SER 3 23.914 -12.945 -6.872 10 HA SER 3 HA SER 3 25.086 -10.424 -6.380 11 HB2 SER 3 1HB SER 3 23.758 -11.381 -8.926 12 HB3 SER 3 2HB SER 3 24.935 -10.076 -8.782 13 HG SER 3 HG SER 3 25.866 -12.077 -9.466 14 H GLY 4 H GLY 4 24.262 -8.392 -6.298 15 HA2 GLY 4 1HA GLY 4 21.420 -7.990 -6.885 16 HA3 GLY 4 2HA GLY 4 21.978 -7.635 -5.257 17 H SER 5 H SER 5 20.793 -5.797 -7.125 18 HA SER 5 HA SER 5 22.553 -4.190 -8.520 19 HB2 SER 5 1HB SER 5 20.043 -3.473 -6.999 20 HB3 SER 5 2HB SER 5 20.908 -2.323 -8.019 21 HG SER 5 HG SER 5 19.545 -3.173 -9.432 22 H SER 6 H SER 6 21.523 -3.795 -5.132 23 HA SER 6 HA SER 6 22.486 -2.746 -3.358 24 HB2 SER 6 1HB SER 6 24.872 -3.562 -4.981 25 HB3 SER 6 2HB SER 6 25.093 -2.565 -3.544 26 HG SER 6 HG SER 6 25.226 -4.757 -3.007 27 H GLY 7 H GLY 7 21.372 -1.094 -5.322 28 HA2 GLY 7 1HA GLY 7 23.108 1.024 -6.084 29 HA3 GLY 7 2HA GLY 7 21.351 1.076 -6.083 30 H ALA 8 H ALA 8 21.992 3.356 -5.417 31 HA ALA 8 HA ALA 8 22.594 3.546 -2.555 32 HB1 ALA 8 1HB ALA 8 23.482 5.025 -4.698 33 HB2 ALA 8 2HB ALA 8 22.254 6.064 -3.973 34 HB3 ALA 8 3HB ALA 8 23.605 5.484 -2.999 35 H HIS 9 H HIS 9 20.457 2.697 -2.009 36 HA HIS 9 HA HIS 9 18.521 4.869 -1.796 37 HB2 HIS 9 1HB HIS 9 16.655 3.376 -2.461 38 HB3 HIS 9 2HB HIS 9 17.777 3.688 -3.782 39 HD1 HIS 9 1HD HIS 9 19.215 1.701 -4.611 40 HD2 HIS 9 2HD HIS 9 16.543 0.725 -1.583 41 HE1 HIS 9 1HE HIS 9 19.145 -0.812 -4.560 42 HE2 HIS 9 2HE HIS 9 17.458 -1.378 -2.777 43 H ASP 10 H ASP 10 17.061 4.646 -0.058 44 HA ASP 10 HA ASP 10 17.534 2.393 1.760 45 HB2 ASP 10 1HB ASP 10 17.946 5.300 2.330 46 HB3 ASP 10 2HB ASP 10 17.353 4.256 3.618 47 H ALA 11 H ALA 11 15.582 1.459 1.746 48 HA ALA 11 HA ALA 11 13.131 2.782 1.365 49 HB1 ALA 11 1HB ALA 11 13.535 0.134 2.744 50 HB2 ALA 11 2HB ALA 11 12.084 0.703 1.919 51 HB3 ALA 11 3HB ALA 11 13.544 0.352 0.994 52 H SER 12 H SER 12 15.051 2.216 4.203 53 HA SER 12 HA SER 12 13.106 2.473 6.194 54 HB2 SER 12 1HB SER 12 14.941 3.039 7.694 55 HB3 SER 12 2HB SER 12 15.444 1.748 6.604 56 HG SER 12 HG SER 12 15.938 4.383 5.828 57 H LYS 13 H LYS 13 14.375 4.785 4.019 58 HA LYS 13 HA LYS 13 13.632 7.068 5.659 59 HB2 LYS 13 1HB LYS 13 14.640 7.004 2.810 60 HB3 LYS 13 2HB LYS 13 14.511 8.424 3.839 61 HG2 LYS 13 1HG LYS 13 16.234 6.074 4.559 62 HG3 LYS 13 2HG LYS 13 16.815 7.409 3.560 63 HD2 LYS 13 1HD LYS 13 15.923 8.897 5.498 64 HD3 LYS 13 2HD LYS 13 16.005 7.408 6.442 65 HE2 LYS 13 1HE LYS 13 18.098 8.226 6.838 66 HE3 LYS 13 2HE LYS 13 18.421 7.289 5.381 67 HZ1 LYS 13 1HZ LYS 13 18.024 10.219 5.592 68 HZ2 LYS 13 2HZ LYS 13 18.037 9.394 4.115 69 HZ3 LYS 13 3HZ LYS 13 19.417 9.398 5.093 70 H VAL 14 H VAL 14 11.798 4.956 4.240 71 HA VAL 14 HA VAL 14 10.082 6.818 2.764 72 HB VAL 14 HB VAL 14 9.894 3.813 3.020 73 HG11 VAL 14 1HG1 VAL 14 7.796 4.079 2.324 74 HG12 VAL 14 2HG1 VAL 14 8.032 5.807 2.054 75 HG13 VAL 14 3HG1 VAL 14 8.462 4.649 0.794 76 HG21 VAL 14 1HG2 VAL 14 10.898 5.571 0.786 77 HG22 VAL 14 2HG2 VAL 14 11.840 4.430 1.746 78 HG23 VAL 14 3HG2 VAL 14 10.600 3.839 0.639 79 H ARG 15 H ARG 15 8.395 7.719 3.730 80 HA ARG 15 HA ARG 15 7.433 6.581 6.256 81 HB2 ARG 15 1HB ARG 15 7.507 9.314 5.088 82 HB3 ARG 15 2HB ARG 15 6.159 8.929 6.150 83 HG2 ARG 15 1HG ARG 15 8.989 8.412 6.982 84 HG3 ARG 15 2HG ARG 15 8.245 10.001 7.172 85 HD2 ARG 15 1HD ARG 15 7.119 7.432 8.280 86 HD3 ARG 15 2HD ARG 15 8.093 8.578 9.201 87 HE ARG 15 HE ARG 15 6.071 10.101 8.236 88 HH11 ARG 15 1HH1 ARG 15 6.196 7.119 10.028 89 HH12 ARG 15 2HH1 ARG 15 4.694 7.396 10.846 90 HH21 ARG 15 1HH2 ARG 15 4.092 10.478 9.307 91 HH22 ARG 15 2HH2 ARG 15 3.498 9.307 10.434 92 H ALA 16 H ALA 16 5.408 5.817 6.503 93 HA ALA 16 HA ALA 16 3.617 5.970 4.166 94 HB1 ALA 16 1HB ALA 16 4.576 3.716 5.658 95 HB2 ALA 16 2HB ALA 16 2.817 3.809 5.765 96 HB3 ALA 16 3HB ALA 16 3.603 3.751 4.187 97 H SER 17 H SER 17 1.944 7.265 4.510 98 HA SER 17 HA SER 17 0.474 7.076 7.021 99 HB2 SER 17 1HB SER 17 0.381 9.534 7.272 100 HB3 SER 17 2HB SER 17 2.029 8.924 7.412 101 HG SER 17 HG SER 17 1.815 10.797 6.049 102 H GLY 18 H GLY 18 -1.703 7.591 6.851 103 HA2 GLY 18 1HA GLY 18 -3.264 8.943 5.276 104 HA3 GLY 18 2HA GLY 18 -2.675 7.792 4.086 105 HA PRO 19 HA PRO 19 -6.513 6.164 6.259 106 HB2 PRO 19 1HB PRO 19 -8.058 5.975 4.034 107 HB3 PRO 19 2HB PRO 19 -7.981 7.434 5.030 108 HG2 PRO 19 1HG PRO 19 -6.571 6.815 2.462 109 HG3 PRO 19 2HG PRO 19 -7.368 8.317 2.968 110 HD2 PRO 19 1HD PRO 19 -4.683 7.985 3.076 111 HD3 PRO 19 2HD PRO 19 -5.569 8.992 4.239 112 H GLY 20 H GLY 20 -5.213 5.351 3.042 113 HA2 GLY 20 1HA GLY 20 -6.081 2.699 2.930 114 HA3 GLY 20 2HA GLY 20 -4.671 3.333 2.093 115 H LEU 21 H LEU 21 -3.386 4.113 4.641 116 HA LEU 21 HA LEU 21 -2.438 1.436 5.388 117 HB2 LEU 21 1HB LEU 21 -1.119 4.123 5.744 118 HB3 LEU 21 2HB LEU 21 -0.417 2.567 6.182 119 HG LEU 21 HG LEU 21 -1.092 3.449 3.375 120 HD11 LEU 21 1HD1 LEU 21 1.084 4.056 3.060 121 HD12 LEU 21 2HD1 LEU 21 1.685 2.992 4.331 122 HD13 LEU 21 3HD1 LEU 21 0.891 4.508 4.754 123 HD21 LEU 21 1HD2 LEU 21 0.624 1.393 3.117 124 HD22 LEU 21 2HD2 LEU 21 -1.130 1.211 3.090 125 HD23 LEU 21 3HD2 LEU 21 -0.232 0.896 4.576 126 H ASN 22 H ASN 22 -4.853 2.593 6.488 127 HA ASN 22 HA ASN 22 -4.309 3.590 9.109 128 HB2 ASN 22 1HB ASN 22 -6.421 4.019 7.812 129 HB3 ASN 22 2HB ASN 22 -6.876 2.344 8.109 130 HD21 ASN 22 1HD2 ASN 22 -8.344 2.224 9.631 131 HD22 ASN 22 2HD2 ASN 22 -8.393 3.161 11.082 132 H ALA 23 H ALA 23 -3.597 2.447 10.772 133 HA ALA 23 HA ALA 23 -3.572 -0.426 10.724 134 HB1 ALA 23 1HB ALA 23 -2.037 -0.301 12.384 135 HB2 ALA 23 2HB ALA 23 -1.897 1.357 11.797 136 HB3 ALA 23 3HB ALA 23 -2.880 1.005 13.217 137 H SER 24 H SER 24 -5.662 1.999 11.959 138 HA SER 24 HA SER 24 -6.826 0.419 14.051 139 HB2 SER 24 1HB SER 24 -7.414 3.067 12.793 140 HB3 SER 24 2HB SER 24 -8.680 2.283 13.738 141 HG SER 24 HG SER 24 -7.466 2.440 15.529 142 H GLY 25 H GLY 25 -7.172 0.571 10.663 143 HA2 GLY 25 1HA GLY 25 -8.391 -1.332 9.682 144 HA3 GLY 25 2HA GLY 25 -9.662 -1.010 10.852 145 H ILE 26 H ILE 26 -9.214 -0.909 7.737 146 HA ILE 26 HA ILE 26 -10.457 1.726 7.323 147 HB ILE 26 HB ILE 26 -9.812 1.542 4.982 148 HG12 ILE 26 1HG1 ILE 26 -8.230 -0.933 5.595 149 HG13 ILE 26 2HG1 ILE 26 -9.923 -1.065 5.133 150 HG21 ILE 26 1HG2 ILE 26 -8.244 2.512 6.625 151 HG22 ILE 26 2HG2 ILE 26 -7.473 0.935 6.783 152 HG23 ILE 26 3HG2 ILE 26 -7.424 1.789 5.241 153 HD11 ILE 26 1HD1 ILE 26 -8.298 -1.330 3.267 154 HD12 ILE 26 2HD1 ILE 26 -9.497 -0.061 3.020 155 HD13 ILE 26 3HD1 ILE 26 -7.851 0.361 3.490 156 HA PRO 27 HA PRO 27 -14.306 -0.136 6.298 157 HB2 PRO 27 1HB PRO 27 -15.297 1.741 4.604 158 HB3 PRO 27 2HB PRO 27 -15.186 1.986 6.351 159 HG2 PRO 27 1HG PRO 27 -13.355 2.942 4.185 160 HG3 PRO 27 2HG PRO 27 -13.957 3.814 5.607 161 HD2 PRO 27 1HD PRO 27 -11.480 2.725 5.506 162 HD3 PRO 27 2HD PRO 27 -12.411 2.842 7.013 163 H ALA 28 H ALA 28 -14.220 -1.943 5.090 164 HA ALA 28 HA ALA 28 -12.977 -2.179 2.578 165 HB1 ALA 28 1HB ALA 28 -13.778 -4.374 2.525 166 HB2 ALA 28 2HB ALA 28 -13.600 -4.020 4.244 167 HB3 ALA 28 3HB ALA 28 -15.196 -3.977 3.496 168 H SER 29 H SER 29 -14.122 -2.862 0.557 169 HA SER 29 HA SER 29 -15.516 -2.399 -1.180 170 HB2 SER 29 1HB SER 29 -17.567 -1.780 0.959 171 HB3 SER 29 2HB SER 29 -17.894 -2.155 -0.733 172 HG SER 29 HG SER 29 -18.021 -4.129 -0.020 173 H LEU 30 H LEU 30 -13.821 -0.341 -0.157 174 HA LEU 30 HA LEU 30 -15.170 1.952 -1.322 175 HB2 LEU 30 1HB LEU 30 -15.685 2.144 1.056 176 HB3 LEU 30 2HB LEU 30 -13.969 2.033 1.443 177 HG LEU 30 HG LEU 30 -13.868 4.178 -0.121 178 HD11 LEU 30 1HD1 LEU 30 -16.251 5.162 1.098 179 HD12 LEU 30 2HD1 LEU 30 -16.643 3.746 0.124 180 HD13 LEU 30 3HD1 LEU 30 -15.813 5.117 -0.610 181 HD21 LEU 30 1HD2 LEU 30 -14.879 4.499 2.684 182 HD22 LEU 30 2HD2 LEU 30 -13.684 5.465 1.818 183 HD23 LEU 30 3HD2 LEU 30 -13.280 3.833 2.351 184 HA PRO 31 HA PRO 31 -11.146 2.446 -3.062 185 HB2 PRO 31 1HB PRO 31 -11.449 4.967 -4.023 186 HB3 PRO 31 2HB PRO 31 -12.199 3.555 -4.777 187 HG2 PRO 31 1HG PRO 31 -13.399 5.568 -2.914 188 HG3 PRO 31 2HG PRO 31 -14.087 4.855 -4.385 189 HD2 PRO 31 1HD PRO 31 -14.756 4.004 -1.903 190 HD3 PRO 31 2HD PRO 31 -14.709 2.916 -3.305 191 H VAL 32 H VAL 32 -9.614 2.551 -1.487 192 HA VAL 32 HA VAL 32 -9.299 5.114 -0.065 193 HB VAL 32 HB VAL 32 -9.723 3.069 1.347 194 HG11 VAL 32 1HG1 VAL 32 -6.947 2.333 0.425 195 HG12 VAL 32 2HG1 VAL 32 -7.864 1.520 1.695 196 HG13 VAL 32 3HG1 VAL 32 -8.433 1.472 0.025 197 HG21 VAL 32 1HG2 VAL 32 -8.174 3.710 3.038 198 HG22 VAL 32 2HG2 VAL 32 -7.042 4.349 1.846 199 HG23 VAL 32 3HG2 VAL 32 -8.580 5.164 2.127 200 H GLU 33 H GLU 33 -7.285 6.082 0.031 201 HA GLU 33 HA GLU 33 -5.080 4.825 -1.422 202 HB2 GLU 33 1HB GLU 33 -4.648 7.000 -2.606 203 HB3 GLU 33 2HB GLU 33 -6.083 6.138 -3.142 204 HG2 GLU 33 1HG GLU 33 -7.510 7.701 -2.309 205 HG3 GLU 33 2HG GLU 33 -6.410 8.181 -1.019 206 H PHE 34 H PHE 34 -3.130 5.202 -0.535 207 HA PHE 34 HA PHE 34 -3.042 7.032 1.762 208 HB2 PHE 34 1HB PHE 34 -0.940 5.691 2.331 209 HB3 PHE 34 2HB PHE 34 -2.481 4.852 2.479 210 HD1 PHE 34 1HD PHE 34 -3.215 3.382 0.526 211 HD2 PHE 34 2HD PHE 34 0.762 4.818 1.014 212 HE1 PHE 34 1HE PHE 34 -2.395 1.610 -0.972 213 HE2 PHE 34 2HE PHE 34 1.588 3.050 -0.483 214 HZ PHE 34 HZ PHE 34 0.009 1.443 -1.479 215 H THR 35 H THR 35 -0.466 7.546 2.119 216 HA THR 35 HA THR 35 0.598 8.578 -0.413 217 HB THR 35 HB THR 35 0.256 10.231 2.097 218 HG1 THR 35 1HG THR 35 -0.770 10.863 -0.458 219 HG21 THR 35 1HG2 THR 35 1.236 11.357 -0.482 220 HG22 THR 35 2HG2 THR 35 2.375 10.476 0.537 221 HG23 THR 35 3HG2 THR 35 1.538 11.893 1.171 222 H ILE 36 H ILE 36 2.670 8.067 -0.639 223 HA ILE 36 HA ILE 36 4.191 7.271 1.740 224 HB ILE 36 HB ILE 36 4.880 6.777 -1.157 225 HG12 ILE 36 1HG1 ILE 36 2.734 5.689 -0.226 226 HG13 ILE 36 2HG1 ILE 36 3.918 4.642 -1.001 227 HG21 ILE 36 1HG2 ILE 36 6.168 6.151 1.427 228 HG22 ILE 36 2HG2 ILE 36 6.179 4.877 0.209 229 HG23 ILE 36 3HG2 ILE 36 6.884 6.452 -0.156 230 HD11 ILE 36 1HD1 ILE 36 2.857 3.873 1.195 231 HD12 ILE 36 2HD1 ILE 36 4.606 3.728 1.020 232 HD13 ILE 36 3HD1 ILE 36 3.921 5.052 1.962 233 H ASP 37 H ASP 37 4.917 9.228 2.518 234 HA ASP 37 HA ASP 37 6.211 11.136 0.786 235 HB2 ASP 37 1HB ASP 37 6.270 11.142 3.801 236 HB3 ASP 37 2HB ASP 37 6.429 12.513 2.707 237 H ALA 38 H ALA 38 8.050 10.308 -0.088 238 HA ALA 38 HA ALA 38 10.183 9.585 1.810 239 HB1 ALA 38 1HB ALA 38 10.356 7.567 0.910 240 HB2 ALA 38 2HB ALA 38 9.032 7.932 -0.197 241 HB3 ALA 38 3HB ALA 38 10.694 8.298 -0.659 242 H ARG 39 H ARG 39 11.767 11.024 1.720 243 HA ARG 39 HA ARG 39 12.118 12.641 -0.686 244 HB2 ARG 39 1HB ARG 39 13.412 12.914 2.034 245 HB3 ARG 39 2HB ARG 39 13.533 14.066 0.710 246 HG2 ARG 39 1HG ARG 39 11.883 15.087 1.855 247 HG3 ARG 39 2HG ARG 39 10.872 13.962 0.945 248 HD2 ARG 39 1HD ARG 39 10.127 13.738 3.145 249 HD3 ARG 39 2HD ARG 39 11.209 12.364 2.919 250 HE ARG 39 HE ARG 39 12.568 13.231 4.534 251 HH11 ARG 39 1HH1 ARG 39 10.475 15.753 3.359 252 HH12 ARG 39 2HH1 ARG 39 10.992 16.911 4.540 253 HH21 ARG 39 1HH2 ARG 39 13.256 14.747 6.093 254 HH22 ARG 39 2HH2 ARG 39 12.575 16.338 6.094 255 H ASP 40 H ASP 40 14.222 10.895 1.609 256 HA ASP 40 HA ASP 40 16.204 10.599 -0.536 257 HB2 ASP 40 1HB ASP 40 16.384 10.515 2.463 258 HB3 ASP 40 2HB ASP 40 17.651 9.805 1.467 259 H ALA 41 H ALA 41 13.823 8.997 -0.498 260 HA ALA 41 HA ALA 41 14.273 6.436 0.600 261 HB1 ALA 41 1HB ALA 41 12.536 5.713 -1.083 262 HB2 ALA 41 2HB ALA 41 12.052 7.006 0.016 263 HB3 ALA 41 3HB ALA 41 12.510 7.385 -1.644 264 H GLY 42 H GLY 42 15.773 8.023 -1.971 265 HA2 GLY 42 1HA GLY 42 17.762 6.904 -2.868 266 HA3 GLY 42 2HA GLY 42 16.791 5.444 -2.992 267 H GLU 43 H GLU 43 18.194 6.334 -5.165 268 HA GLU 43 HA GLU 43 16.310 7.779 -6.865 269 HB2 GLU 43 1HB GLU 43 18.869 8.190 -6.758 270 HB3 GLU 43 2HB GLU 43 18.987 6.745 -7.752 271 HG2 GLU 43 1HG GLU 43 17.924 7.743 -9.555 272 HG3 GLU 43 2HG GLU 43 17.203 9.004 -8.557 273 H GLY 44 H GLY 44 15.109 5.522 -6.280 274 HA2 GLY 44 1HA GLY 44 15.539 3.810 -8.651 275 HA3 GLY 44 2HA GLY 44 15.108 3.148 -7.081 276 H LEU 45 H LEU 45 13.228 2.179 -7.854 277 HA LEU 45 HA LEU 45 11.056 4.070 -8.468 278 HB2 LEU 45 1HB LEU 45 10.172 2.689 -10.104 279 HB3 LEU 45 2HB LEU 45 11.908 2.605 -10.394 280 HG LEU 45 HG LEU 45 11.671 0.452 -8.852 281 HD11 LEU 45 1HD1 LEU 45 8.981 0.659 -10.197 282 HD12 LEU 45 2HD1 LEU 45 9.275 0.772 -8.462 283 HD13 LEU 45 3HD1 LEU 45 9.603 -0.736 -9.315 284 HD21 LEU 45 1HD2 LEU 45 12.579 0.537 -11.128 285 HD22 LEU 45 2HD2 LEU 45 10.940 0.516 -11.778 286 HD23 LEU 45 3HD2 LEU 45 11.552 -0.876 -10.884 287 H LEU 46 H LEU 46 9.333 3.942 -7.178 288 HA LEU 46 HA LEU 46 9.315 2.052 -5.015 289 HB2 LEU 46 1HB LEU 46 8.613 4.243 -4.489 290 HB3 LEU 46 2HB LEU 46 7.488 4.287 -5.845 291 HG LEU 46 HG LEU 46 6.334 2.326 -4.505 292 HD11 LEU 46 1HD1 LEU 46 8.254 3.470 -2.612 293 HD12 LEU 46 2HD1 LEU 46 7.420 1.917 -2.589 294 HD13 LEU 46 3HD1 LEU 46 6.600 3.365 -2.008 295 HD21 LEU 46 1HD2 LEU 46 4.916 4.055 -4.824 296 HD22 LEU 46 2HD2 LEU 46 6.111 5.266 -4.360 297 HD23 LEU 46 3HD2 LEU 46 5.252 4.353 -3.119 298 H THR 47 H THR 47 7.824 0.436 -4.606 299 HA THR 47 HA THR 47 5.932 -0.223 -6.754 300 HB THR 47 HB THR 47 6.528 -2.579 -6.670 301 HG1 THR 47 1HG THR 47 8.353 -1.692 -4.686 302 HG21 THR 47 1HG2 THR 47 7.712 -1.182 -8.286 303 HG22 THR 47 2HG2 THR 47 8.761 -2.468 -7.689 304 HG23 THR 47 3HG2 THR 47 8.951 -0.822 -7.084 305 H VAL 48 H VAL 48 4.013 -1.072 -6.091 306 HA VAL 48 HA VAL 48 3.710 -1.695 -3.230 307 HB VAL 48 HB VAL 48 1.776 -0.064 -4.882 308 HG11 VAL 48 1HG1 VAL 48 1.367 -0.151 -2.004 309 HG12 VAL 48 2HG1 VAL 48 0.214 -0.383 -3.319 310 HG13 VAL 48 3HG1 VAL 48 1.204 -1.733 -2.765 311 HG21 VAL 48 1HG2 VAL 48 3.357 1.497 -4.350 312 HG22 VAL 48 2HG2 VAL 48 2.376 1.564 -2.886 313 HG23 VAL 48 3HG2 VAL 48 3.877 0.639 -2.899 314 H GLN 49 H GLN 49 2.459 -3.429 -2.755 315 HA GLN 49 HA GLN 49 0.813 -4.617 -4.860 316 HB2 GLN 49 1HB GLN 49 3.034 -5.699 -4.986 317 HB3 GLN 49 2HB GLN 49 2.884 -6.171 -3.299 318 HG2 GLN 49 1HG GLN 49 1.372 -7.811 -3.741 319 HG3 GLN 49 2HG GLN 49 0.724 -6.986 -5.158 320 HE21 GLN 49 1HE2 GLN 49 1.222 -9.642 -5.284 321 HE22 GLN 49 2HE2 GLN 49 2.586 -9.950 -6.298 322 H ILE 50 H ILE 50 -1.050 -5.464 -4.127 323 HA ILE 50 HA ILE 50 -1.349 -5.789 -1.213 324 HB ILE 50 HB ILE 50 -3.555 -4.898 -3.063 325 HG12 ILE 50 1HG1 ILE 50 -1.960 -3.142 -1.191 326 HG13 ILE 50 2HG1 ILE 50 -1.637 -3.257 -2.918 327 HG21 ILE 50 1HG2 ILE 50 -4.774 -4.410 -1.082 328 HG22 ILE 50 2HG2 ILE 50 -4.119 -6.037 -0.898 329 HG23 ILE 50 3HG2 ILE 50 -3.356 -4.680 -0.068 330 HD11 ILE 50 1HD1 ILE 50 -4.421 -2.722 -2.436 331 HD12 ILE 50 2HD1 ILE 50 -3.396 -1.527 -1.641 332 HD13 ILE 50 3HD1 ILE 50 -3.242 -1.807 -3.375 333 H LEU 51 H LEU 51 -2.110 -7.693 -0.536 334 HA LEU 51 HA LEU 51 -3.264 -9.511 -2.548 335 HB2 LEU 51 1HB LEU 51 -1.629 -10.186 -0.107 336 HB3 LEU 51 2HB LEU 51 -2.365 -11.361 -1.195 337 HG LEU 51 HG LEU 51 -0.062 -9.504 -1.749 338 HD11 LEU 51 1HD1 LEU 51 0.885 -11.374 -0.864 339 HD12 LEU 51 2HD1 LEU 51 0.762 -11.891 -2.545 340 HD13 LEU 51 3HD1 LEU 51 -0.440 -12.423 -1.369 341 HD21 LEU 51 1HD2 LEU 51 -0.089 -10.285 -4.043 342 HD22 LEU 51 2HD2 LEU 51 -1.607 -9.473 -3.661 343 HD23 LEU 51 3HD2 LEU 51 -1.542 -11.235 -3.727 344 H ASP 52 H ASP 52 -5.373 -9.741 -2.254 345 HA ASP 52 HA ASP 52 -6.958 -8.931 -0.223 346 HB2 ASP 52 1HB ASP 52 -8.332 -11.146 -0.881 347 HB3 ASP 52 2HB ASP 52 -8.258 -9.723 -1.918 348 HA PRO 53 HA PRO 53 -6.403 -11.378 3.373 349 HB2 PRO 53 1HB PRO 53 -8.945 -11.793 4.230 350 HB3 PRO 53 2HB PRO 53 -8.142 -10.221 4.329 351 HG2 PRO 53 1HG PRO 53 -10.099 -11.224 2.297 352 HG3 PRO 53 2HG PRO 53 -10.021 -9.639 3.089 353 HD2 PRO 53 1HD PRO 53 -9.097 -10.060 0.579 354 HD3 PRO 53 2HD PRO 53 -8.364 -8.876 1.680 355 H GLU 54 H GLU 54 -7.456 -12.721 0.601 356 HA GLU 54 HA GLU 54 -8.031 -15.345 1.794 357 HB2 GLU 54 1HB GLU 54 -8.535 -14.286 -0.991 358 HB3 GLU 54 2HB GLU 54 -8.825 -15.950 -0.502 359 HG2 GLU 54 1HG GLU 54 -10.114 -13.638 0.903 360 HG3 GLU 54 2HG GLU 54 -10.814 -14.367 -0.541 361 H GLY 55 H GLY 55 -5.833 -13.601 -0.286 362 HA2 GLY 55 1HA GLY 55 -3.510 -14.423 -0.251 363 HA3 GLY 55 2HA GLY 55 -4.170 -16.039 -0.454 364 H LYS 56 H LYS 56 -5.194 -13.117 -2.148 365 HA LYS 56 HA LYS 56 -4.036 -14.202 -4.625 366 HB2 LYS 56 1HB LYS 56 -6.741 -12.877 -4.534 367 HB3 LYS 56 2HB LYS 56 -6.022 -13.789 -5.855 368 HG2 LYS 56 1HG LYS 56 -6.699 -15.043 -3.212 369 HG3 LYS 56 2HG LYS 56 -7.854 -14.934 -4.542 370 HD2 LYS 56 1HD LYS 56 -6.288 -16.163 -5.983 371 HD3 LYS 56 2HD LYS 56 -5.159 -16.292 -4.632 372 HE2 LYS 56 1HE LYS 56 -6.840 -17.548 -3.362 373 HE3 LYS 56 2HE LYS 56 -7.954 -17.428 -4.723 374 HZ1 LYS 56 1HZ LYS 56 -5.764 -18.473 -5.877 375 HZ2 LYS 56 2HZ LYS 56 -7.072 -19.382 -5.307 376 HZ3 LYS 56 3HZ LYS 56 -5.696 -19.184 -4.343 377 HA PRO 57 HA PRO 57 -2.477 -10.158 -5.336 378 HB2 PRO 57 1HB PRO 57 -2.468 -10.083 -8.050 379 HB3 PRO 57 2HB PRO 57 -1.324 -11.050 -7.112 380 HG2 PRO 57 1HG PRO 57 -3.841 -11.903 -8.489 381 HG3 PRO 57 2HG PRO 57 -2.264 -12.711 -8.441 382 HD2 PRO 57 1HD PRO 57 -4.338 -13.470 -6.875 383 HD3 PRO 57 2HD PRO 57 -2.647 -13.609 -6.353 384 H LYS 58 H LYS 58 -3.292 -8.149 -5.383 385 HA LYS 58 HA LYS 58 -5.988 -7.786 -6.506 386 HB2 LYS 58 1HB LYS 58 -4.545 -6.298 -4.308 387 HB3 LYS 58 2HB LYS 58 -6.092 -5.794 -4.976 388 HG2 LYS 58 1HG LYS 58 -5.608 -8.471 -3.691 389 HG3 LYS 58 2HG LYS 58 -6.247 -7.062 -2.842 390 HD2 LYS 58 1HD LYS 58 -7.515 -8.257 -5.302 391 HD3 LYS 58 2HD LYS 58 -7.983 -8.677 -3.653 392 HE2 LYS 58 1HE LYS 58 -8.188 -6.055 -3.421 393 HE3 LYS 58 2HE LYS 58 -8.398 -6.149 -5.168 394 HZ1 LYS 58 1HZ LYS 58 -10.137 -7.137 -3.032 395 HZ2 LYS 58 2HZ LYS 58 -10.093 -8.009 -4.480 396 HZ3 LYS 58 3HZ LYS 58 -10.542 -6.378 -4.488 397 H LYS 59 H LYS 59 -6.248 -5.181 -6.830 398 HA LYS 59 HA LYS 59 -4.122 -4.465 -8.740 399 HB2 LYS 59 1HB LYS 59 -6.575 -4.921 -9.504 400 HB3 LYS 59 2HB LYS 59 -6.894 -3.322 -8.845 401 HG2 LYS 59 1HG LYS 59 -6.489 -2.898 -11.081 402 HG3 LYS 59 2HG LYS 59 -4.929 -2.559 -10.327 403 HD2 LYS 59 1HD LYS 59 -4.401 -3.843 -12.215 404 HD3 LYS 59 2HD LYS 59 -4.344 -4.991 -10.875 405 HE2 LYS 59 1HE LYS 59 -5.508 -5.995 -12.729 406 HE3 LYS 59 2HE LYS 59 -6.655 -5.683 -11.427 407 HZ1 LYS 59 1HZ LYS 59 -7.027 -4.969 -13.985 408 HZ2 LYS 59 2HZ LYS 59 -6.395 -3.537 -13.343 409 HZ3 LYS 59 3HZ LYS 59 -7.786 -4.225 -12.669 410 H ALA 60 H ALA 60 -2.883 -2.824 -8.146 411 HA ALA 60 HA ALA 60 -4.055 -0.709 -6.459 412 HB1 ALA 60 1HB ALA 60 -2.337 -0.759 -5.001 413 HB2 ALA 60 2HB ALA 60 -2.171 -2.419 -5.575 414 HB3 ALA 60 3HB ALA 60 -1.150 -1.148 -6.246 415 H ASN 61 H ASN 61 -3.282 1.416 -6.789 416 HA ASN 61 HA ASN 61 -1.908 1.811 -9.366 417 HB2 ASN 61 1HB ASN 61 -3.969 3.644 -8.124 418 HB3 ASN 61 2HB ASN 61 -3.228 3.815 -9.712 419 HD21 ASN 61 1HD2 ASN 61 -5.401 1.879 -7.766 420 HD22 ASN 61 2HD2 ASN 61 -6.253 1.164 -9.088 421 H ILE 62 H ILE 62 -0.294 3.323 -9.481 422 HA ILE 62 HA ILE 62 0.419 4.687 -6.968 423 HB ILE 62 HB ILE 62 2.377 3.537 -8.958 424 HG12 ILE 62 1HG1 ILE 62 2.084 2.522 -6.162 425 HG13 ILE 62 2HG1 ILE 62 0.932 1.982 -7.378 426 HG21 ILE 62 1HG2 ILE 62 2.765 5.612 -7.253 427 HG22 ILE 62 2HG2 ILE 62 3.252 4.247 -6.248 428 HG23 ILE 62 3HG2 ILE 62 4.035 4.521 -7.804 429 HD11 ILE 62 1HD1 ILE 62 3.108 1.467 -8.745 430 HD12 ILE 62 2HD1 ILE 62 3.839 1.433 -7.140 431 HD13 ILE 62 3HD1 ILE 62 2.508 0.344 -7.526 432 H ARG 63 H ARG 63 1.096 6.780 -7.107 433 HA ARG 63 HA ARG 63 1.260 7.962 -9.800 434 HB2 ARG 63 1HB ARG 63 -0.877 8.592 -8.892 435 HB3 ARG 63 2HB ARG 63 -0.145 9.061 -7.364 436 HG2 ARG 63 1HG ARG 63 0.617 11.047 -8.175 437 HG3 ARG 63 2HG ARG 63 0.781 10.437 -9.823 438 HD2 ARG 63 1HD ARG 63 -1.585 10.548 -10.168 439 HD3 ARG 63 2HD ARG 63 -1.865 10.924 -8.468 440 HE ARG 63 HE ARG 63 -0.253 12.938 -9.345 441 HH11 ARG 63 1HH1 ARG 63 -3.310 11.623 -10.369 442 HH12 ARG 63 2HH1 ARG 63 -3.897 13.129 -10.993 443 HH21 ARG 63 1HH2 ARG 63 -1.015 14.927 -10.163 444 HH22 ARG 63 2HH2 ARG 63 -2.591 15.007 -10.876 445 H ASP 64 H ASP 64 2.633 9.775 -10.025 446 HA ASP 64 HA ASP 64 4.719 9.907 -7.960 447 HB2 ASP 64 1HB ASP 64 6.171 10.800 -9.746 448 HB3 ASP 64 2HB ASP 64 5.517 9.217 -10.158 449 H ASN 65 H ASN 65 4.791 11.642 -6.708 450 HA ASN 65 HA ASN 65 3.243 13.998 -7.408 451 HB2 ASN 65 1HB ASN 65 4.499 12.929 -4.929 452 HB3 ASN 65 2HB ASN 65 4.278 14.673 -5.041 453 HD21 ASN 65 1HD2 ASN 65 2.798 11.665 -4.485 454 HD22 ASN 65 2HD2 ASN 65 1.179 12.233 -4.284 455 H GLY 66 H GLY 66 6.611 13.096 -6.822 456 HA2 GLY 66 1HA GLY 66 8.490 14.073 -7.810 457 HA3 GLY 66 2HA GLY 66 7.476 15.389 -8.384 458 H ASP 67 H ASP 67 6.419 15.530 -5.496 459 HA ASP 67 HA ASP 67 8.385 17.477 -4.625 460 HB2 ASP 67 1HB ASP 67 6.060 18.125 -4.497 461 HB3 ASP 67 2HB ASP 67 5.676 16.707 -3.525 462 H GLY 68 H GLY 68 8.935 14.546 -4.533 463 HA2 GLY 68 1HA GLY 68 10.327 13.326 -3.123 464 HA3 GLY 68 2HA GLY 68 10.052 14.521 -1.863 465 H THR 69 H THR 69 7.322 13.134 -3.469 466 HA THR 69 HA THR 69 6.938 11.122 -1.395 467 HB THR 69 HB THR 69 4.736 11.909 -0.758 468 HG1 THR 69 1HG THR 69 5.110 13.567 -2.918 469 HG21 THR 69 1HG2 THR 69 6.382 14.385 -0.511 470 HG22 THR 69 2HG2 THR 69 6.972 12.893 0.220 471 HG23 THR 69 3HG2 THR 69 5.410 13.555 0.702 472 H TYR 70 H TYR 70 4.591 10.127 -1.808 473 HA TYR 70 HA TYR 70 3.944 10.008 -4.638 474 HB2 TYR 70 1HB TYR 70 4.749 7.513 -3.129 475 HB3 TYR 70 2HB TYR 70 4.210 7.595 -4.803 476 HD1 TYR 70 1HD TYR 70 6.900 8.820 -2.534 477 HD2 TYR 70 2HD TYR 70 5.772 7.827 -6.515 478 HE1 TYR 70 1HE TYR 70 9.231 9.117 -3.263 479 HE2 TYR 70 2HE TYR 70 8.099 8.121 -7.254 480 HH TYR 70 HH TYR 70 10.646 9.081 -4.968 481 H THR 71 H THR 71 1.994 8.694 -5.048 482 HA THR 71 HA THR 71 0.292 8.386 -2.669 483 HB THR 71 HB THR 71 -0.575 9.684 -5.260 484 HG1 THR 71 1HG THR 71 -0.654 10.960 -2.757 485 HG21 THR 71 1HG2 THR 71 -2.714 10.011 -4.211 486 HG22 THR 71 2HG2 THR 71 -2.128 9.319 -2.698 487 HG23 THR 71 3HG2 THR 71 -2.311 8.297 -4.123 488 H VAL 72 H VAL 72 -1.057 6.650 -2.676 489 HA VAL 72 HA VAL 72 -1.254 5.063 -5.143 490 HB VAL 72 HB VAL 72 -0.621 3.945 -2.408 491 HG11 VAL 72 1HG1 VAL 72 -0.654 2.311 -4.900 492 HG12 VAL 72 2HG1 VAL 72 -0.902 1.817 -3.224 493 HG13 VAL 72 3HG1 VAL 72 -2.178 2.672 -4.092 494 HG21 VAL 72 1HG2 VAL 72 1.039 3.867 -4.922 495 HG22 VAL 72 2HG2 VAL 72 1.274 5.032 -3.620 496 HG23 VAL 72 3HG2 VAL 72 1.503 3.310 -3.314 497 H SER 73 H SER 73 -3.203 4.125 -5.507 498 HA SER 73 HA SER 73 -5.233 4.345 -3.385 499 HB2 SER 73 1HB SER 73 -6.893 5.003 -5.030 500 HB3 SER 73 2HB SER 73 -5.524 6.111 -5.120 501 HG SER 73 HG SER 73 -5.463 3.869 -6.770 502 H TYR 74 H TYR 74 -6.781 2.721 -3.290 503 HA TYR 74 HA TYR 74 -6.838 0.604 -5.241 504 HB2 TYR 74 1HB TYR 74 -6.062 -1.177 -3.853 505 HB3 TYR 74 2HB TYR 74 -4.834 0.083 -3.798 506 HD1 TYR 74 1HD TYR 74 -4.525 1.430 -1.768 507 HD2 TYR 74 2HD TYR 74 -7.326 -1.770 -1.893 508 HE1 TYR 74 1HE TYR 74 -4.642 1.444 0.689 509 HE2 TYR 74 2HE TYR 74 -7.452 -1.765 0.563 510 HH TYR 74 HH TYR 74 -5.604 0.577 2.492 511 H LEU 75 H LEU 75 -8.483 -1.017 -4.750 512 HA LEU 75 HA LEU 75 -10.485 -0.055 -2.816 513 HB2 LEU 75 1HB LEU 75 -11.237 0.510 -5.029 514 HB3 LEU 75 2HB LEU 75 -10.925 -1.129 -5.596 515 HG LEU 75 HG LEU 75 -12.711 -1.705 -3.711 516 HD11 LEU 75 1HD1 LEU 75 -13.723 0.951 -4.667 517 HD12 LEU 75 2HD1 LEU 75 -12.827 0.786 -3.158 518 HD13 LEU 75 3HD1 LEU 75 -14.351 -0.074 -3.377 519 HD21 LEU 75 1HD2 LEU 75 -13.922 -0.619 -6.181 520 HD22 LEU 75 2HD2 LEU 75 -14.098 -2.206 -5.430 521 HD23 LEU 75 3HD2 LEU 75 -12.659 -1.834 -6.380 522 HA PRO 76 HA PRO 76 -9.600 -4.321 -1.534 523 HB2 PRO 76 1HB PRO 76 -10.475 -3.953 1.009 524 HB3 PRO 76 2HB PRO 76 -8.858 -3.484 0.473 525 HG2 PRO 76 1HG PRO 76 -11.303 -1.793 0.821 526 HG3 PRO 76 2HG PRO 76 -9.626 -1.443 1.279 527 HD2 PRO 76 1HD PRO 76 -10.766 -0.434 -0.960 528 HD3 PRO 76 2HD PRO 76 -9.038 -0.827 -0.863 529 H ASP 77 H ASP 77 -11.388 -4.871 -3.030 530 HA ASP 77 HA ASP 77 -14.080 -4.664 -2.553 531 HB2 ASP 77 1HB ASP 77 -12.746 -5.796 -4.506 532 HB3 ASP 77 2HB ASP 77 -12.988 -7.265 -3.564 533 H MET 78 H MET 78 -12.001 -7.372 -1.515 534 HA MET 78 HA MET 78 -14.082 -8.464 0.146 535 HB2 MET 78 1HB MET 78 -11.216 -9.193 -0.387 536 HB3 MET 78 2HB MET 78 -12.119 -9.971 0.906 537 HG2 MET 78 1HG MET 78 -13.217 -9.888 -1.871 538 HG3 MET 78 2HG MET 78 -12.007 -11.085 -1.417 539 HE1 MET 78 1HE MET 78 -15.327 -10.810 -2.250 540 HE2 MET 78 2HE MET 78 -14.639 -12.422 -2.445 541 HE3 MET 78 3HE MET 78 -16.071 -12.189 -1.440 542 H SER 79 H SER 79 -13.432 -9.083 2.476 543 HA SER 79 HA SER 79 -12.222 -6.726 3.770 544 HB2 SER 79 1HB SER 79 -13.793 -7.215 5.688 545 HB3 SER 79 2HB SER 79 -14.577 -6.656 4.210 546 HG SER 79 HG SER 79 -14.256 -9.410 4.663 547 H GLY 80 H GLY 80 -11.068 -7.080 5.720 548 HA2 GLY 80 1HA GLY 80 -10.506 -8.936 7.382 549 HA3 GLY 80 2HA GLY 80 -10.041 -9.835 5.946 550 H ARG 81 H ARG 81 -7.942 -10.015 6.966 551 HA ARG 81 HA ARG 81 -6.371 -7.606 7.274 552 HB2 ARG 81 1HB ARG 81 -6.236 -9.826 8.649 553 HB3 ARG 81 2HB ARG 81 -5.215 -10.370 7.324 554 HG2 ARG 81 1HG ARG 81 -3.686 -8.523 7.718 555 HG3 ARG 81 2HG ARG 81 -4.724 -7.927 9.015 556 HD2 ARG 81 1HD ARG 81 -3.513 -10.682 9.016 557 HD3 ARG 81 2HD ARG 81 -2.709 -9.282 9.725 558 HE ARG 81 HE ARG 81 -4.875 -10.765 10.845 559 HH11 ARG 81 1HH1 ARG 81 -3.427 -7.604 10.669 560 HH12 ARG 81 2HH1 ARG 81 -4.060 -7.086 12.197 561 HH21 ARG 81 1HH2 ARG 81 -5.714 -10.095 12.858 562 HH22 ARG 81 2HH2 ARG 81 -5.359 -8.504 13.441 563 H TYR 82 H TYR 82 -5.679 -6.614 5.493 564 HA TYR 82 HA TYR 82 -5.029 -8.155 3.109 565 HB2 TYR 82 1HB TYR 82 -5.492 -5.260 3.698 566 HB3 TYR 82 2HB TYR 82 -4.570 -5.700 2.265 567 HD1 TYR 82 2HD TYR 82 -7.840 -6.169 3.953 568 HD2 TYR 82 1HD TYR 82 -5.657 -6.439 0.311 569 HE1 TYR 82 2HE TYR 82 -9.939 -6.557 2.731 570 HE2 TYR 82 1HE TYR 82 -7.750 -6.827 -0.921 571 HH TYR 82 HH TYR 82 -10.165 -6.374 -0.636 572 H THR 83 H THR 83 -3.020 -8.329 2.215 573 HA THR 83 HA THR 83 -0.781 -7.513 3.931 574 HB THR 83 HB THR 83 -0.729 -9.517 1.669 575 HG1 THR 83 1HG THR 83 -0.731 -11.046 3.470 576 HG21 THR 83 1HG2 THR 83 1.290 -10.273 3.154 577 HG22 THR 83 2HG2 THR 83 1.230 -8.610 3.738 578 HG23 THR 83 3HG2 THR 83 1.478 -8.934 2.022 579 H ILE 84 H ILE 84 -0.197 -5.496 3.317 580 HA ILE 84 HA ILE 84 0.113 -4.915 0.463 581 HB ILE 84 HB ILE 84 0.321 -3.035 2.818 582 HG12 ILE 84 1HG1 ILE 84 -1.941 -3.324 0.834 583 HG13 ILE 84 2HG1 ILE 84 -1.950 -4.051 2.437 584 HG21 ILE 84 1HG2 ILE 84 1.565 -2.441 0.701 585 HG22 ILE 84 2HG2 ILE 84 -0.009 -2.332 -0.086 586 HG23 ILE 84 3HG2 ILE 84 0.380 -1.260 1.258 587 HD11 ILE 84 1HD1 ILE 84 -2.373 -1.264 1.618 588 HD12 ILE 84 2HD1 ILE 84 -3.032 -2.166 2.983 589 HD13 ILE 84 3HD1 ILE 84 -1.404 -1.495 3.073 590 H THR 85 H THR 85 2.028 -5.426 -0.363 591 HA THR 85 HA THR 85 4.426 -5.192 1.310 592 HB THR 85 HB THR 85 4.220 -6.487 -1.411 593 HG1 THR 85 1HG THR 85 4.196 -7.812 1.106 594 HG21 THR 85 1HG2 THR 85 6.322 -7.438 -0.958 595 HG22 THR 85 2HG2 THR 85 6.232 -7.031 0.755 596 HG23 THR 85 3HG2 THR 85 6.474 -5.759 -0.441 597 H ILE 86 H ILE 86 5.543 -3.371 1.142 598 HA ILE 86 HA ILE 86 5.573 -1.968 -1.450 599 HB ILE 86 HB ILE 86 6.019 -0.784 1.293 600 HG12 ILE 86 1HG1 ILE 86 3.665 -0.403 -0.566 601 HG13 ILE 86 2HG1 ILE 86 3.665 -1.520 0.795 602 HG21 ILE 86 1HG2 ILE 86 6.175 1.323 0.252 603 HG22 ILE 86 2HG2 ILE 86 7.211 0.253 -0.691 604 HG23 ILE 86 3HG2 ILE 86 5.613 0.689 -1.294 605 HD11 ILE 86 1HD1 ILE 86 2.920 0.145 2.044 606 HD12 ILE 86 2HD1 ILE 86 4.494 0.917 1.854 607 HD13 ILE 86 3HD1 ILE 86 3.180 1.309 0.745 608 H LYS 87 H LYS 87 7.432 -2.061 -2.504 609 HA LYS 87 HA LYS 87 9.929 -2.258 -0.951 610 HB2 LYS 87 1HB LYS 87 9.075 -3.722 -3.431 611 HB3 LYS 87 2HB LYS 87 10.780 -3.474 -3.080 612 HG2 LYS 87 1HG LYS 87 10.423 -4.587 -0.883 613 HG3 LYS 87 2HG LYS 87 8.775 -4.956 -1.396 614 HD2 LYS 87 1HD LYS 87 9.989 -5.968 -3.491 615 HD3 LYS 87 2HD LYS 87 11.368 -6.048 -2.392 616 HE2 LYS 87 1HE LYS 87 8.739 -7.077 -1.450 617 HE3 LYS 87 2HE LYS 87 9.650 -8.043 -2.610 618 HZ1 LYS 87 1HZ LYS 87 10.935 -8.752 -0.974 619 HZ2 LYS 87 2HZ LYS 87 10.035 -7.858 0.145 620 HZ3 LYS 87 3HZ LYS 87 11.393 -7.169 -0.592 621 H TYR 88 H TYR 88 11.695 -1.091 -1.682 622 HA TYR 88 HA TYR 88 11.105 0.879 -3.794 623 HB2 TYR 88 1HB TYR 88 11.406 1.662 -1.349 624 HB3 TYR 88 2HB TYR 88 13.115 1.321 -1.599 625 HD1 TYR 88 1HD TYR 88 10.278 3.388 -2.769 626 HD2 TYR 88 2HD TYR 88 14.493 2.815 -2.820 627 HE1 TYR 88 1HE TYR 88 10.560 5.603 -3.799 628 HE2 TYR 88 2HE TYR 88 14.788 5.029 -3.849 629 HH TYR 88 HH TYR 88 12.331 7.336 -3.983 630 H GLY 89 H GLY 89 12.286 0.692 -5.573 631 HA2 GLY 89 1HA GLY 89 13.886 -0.154 -7.014 632 HA3 GLY 89 2HA GLY 89 14.973 0.627 -5.875 633 H GLY 90 H GLY 90 12.992 -2.048 -4.864 634 HA2 GLY 90 1HA GLY 90 13.569 -4.346 -4.783 635 HA3 GLY 90 2HA GLY 90 15.224 -3.919 -5.193 636 H ASP 91 H ASP 91 13.295 -2.391 -2.678 637 HA ASP 91 HA ASP 91 14.745 -3.838 -0.601 638 HB2 ASP 91 1HB ASP 91 15.116 -0.960 -1.258 639 HB3 ASP 91 2HB ASP 91 15.042 -1.395 0.447 640 H GLU 92 H GLU 92 13.062 -4.643 0.490 641 HA GLU 92 HA GLU 92 10.541 -3.375 0.714 642 HB2 GLU 92 1HB GLU 92 10.817 -5.807 0.888 643 HB3 GLU 92 2HB GLU 92 11.730 -5.603 2.376 644 HG2 GLU 92 1HG GLU 92 9.551 -4.344 3.144 645 HG3 GLU 92 2HG GLU 92 8.815 -5.332 1.884 646 H ILE 93 H ILE 93 9.910 -1.790 2.012 647 HA ILE 93 HA ILE 93 11.593 -0.448 3.779 648 HB ILE 93 HB ILE 93 9.451 0.557 4.703 649 HG12 ILE 93 1HG1 ILE 93 8.141 -0.934 2.432 650 HG13 ILE 93 2HG1 ILE 93 8.108 -1.530 4.087 651 HG21 ILE 93 1HG2 ILE 93 10.673 1.668 2.964 652 HG22 ILE 93 2HG2 ILE 93 9.989 0.601 1.739 653 HG23 ILE 93 3HG2 ILE 93 8.955 1.756 2.580 654 HD11 ILE 93 1HD1 ILE 93 6.547 0.564 2.825 655 HD12 ILE 93 2HD1 ILE 93 6.234 -0.358 4.295 656 HD13 ILE 93 3HD1 ILE 93 7.269 1.069 4.352 657 HA PRO 94 HA PRO 94 11.523 -2.705 7.544 658 HB2 PRO 94 1HB PRO 94 11.667 -0.693 9.361 659 HB3 PRO 94 2HB PRO 94 13.034 -1.174 8.349 660 HG2 PRO 94 1HG PRO 94 11.120 1.100 7.992 661 HG3 PRO 94 2HG PRO 94 12.881 1.076 7.781 662 HD2 PRO 94 1HD PRO 94 11.162 0.934 5.694 663 HD3 PRO 94 2HD PRO 94 12.743 0.128 5.685 664 H TYR 95 H TYR 95 8.928 -0.981 6.490 665 HA TYR 95 HA TYR 95 7.361 -1.395 8.940 666 HB2 TYR 95 1HB TYR 95 6.782 0.254 6.473 667 HB3 TYR 95 2HB TYR 95 5.653 0.039 7.806 668 HD1 TYR 95 1HD TYR 95 9.135 1.196 7.119 669 HD2 TYR 95 2HD TYR 95 5.665 1.565 9.553 670 HE1 TYR 95 1HE TYR 95 10.163 3.102 8.286 671 HE2 TYR 95 2HE TYR 95 6.683 3.472 10.726 672 HH TYR 95 HH TYR 95 9.506 5.031 9.596 673 H SER 96 H SER 96 7.792 -2.488 5.694 674 HA SER 96 HA SER 96 5.243 -3.859 5.577 675 HB2 SER 96 1HB SER 96 5.781 -3.276 3.429 676 HB3 SER 96 2HB SER 96 7.516 -3.400 3.716 677 HG SER 96 HG SER 96 7.417 -5.569 3.433 678 HA PRO 97 HA PRO 97 4.609 -5.703 4.229 679 HB2 PRO 97 1HB PRO 97 2.959 -7.593 5.266 680 HB3 PRO 97 2HB PRO 97 4.237 -7.967 4.104 681 HG2 PRO 97 1HG PRO 97 4.239 -8.264 7.083 682 HG3 PRO 97 2HG PRO 97 4.847 -9.380 5.847 683 HD2 PRO 97 1HD PRO 97 6.476 -7.739 7.256 684 HD3 PRO 97 2HD PRO 97 6.814 -8.210 5.578 685 H PHE 98 H PHE 98 2.793 -4.479 4.484 686 HA PHE 98 HA PHE 98 2.329 -3.361 7.118 687 HB2 PHE 98 1HB PHE 98 1.606 -2.635 4.328 688 HB3 PHE 98 2HB PHE 98 0.521 -2.088 5.602 689 HD1 PHE 98 2HD PHE 98 1.977 -1.168 7.744 690 HD2 PHE 98 1HD PHE 98 3.122 -1.072 3.646 691 HE1 PHE 98 2HE PHE 98 3.479 0.723 8.212 692 HE2 PHE 98 1HE PHE 98 4.627 0.819 4.107 693 HZ PHE 98 HZ PHE 98 4.806 1.720 6.392 694 H ARG 99 H ARG 99 1.109 -4.557 8.440 695 HA ARG 99 HA ARG 99 -1.009 -6.242 7.473 696 HB2 ARG 99 1HB ARG 99 -0.171 -5.504 10.283 697 HB3 ARG 99 2HB ARG 99 -1.394 -6.704 9.889 698 HG2 ARG 99 1HG ARG 99 0.163 -8.191 9.018 699 HG3 ARG 99 2HG ARG 99 1.380 -6.934 8.796 700 HD2 ARG 99 1HD ARG 99 1.568 -6.723 11.246 701 HD3 ARG 99 2HD ARG 99 0.404 -8.035 11.428 702 HE ARG 99 HE ARG 99 3.185 -8.261 10.668 703 HH11 ARG 99 1HH1 ARG 99 0.061 -9.794 10.775 704 HH12 ARG 99 2HH1 ARG 99 0.701 -11.401 10.676 705 HH21 ARG 99 1HH2 ARG 99 4.040 -10.372 10.537 706 HH22 ARG 99 2HH2 ARG 99 2.964 -11.728 10.541 707 H ILE 100 H ILE 100 -2.675 -5.106 6.611 708 HA ILE 100 HA ILE 100 -3.921 -3.034 8.293 709 HB ILE 100 HB ILE 100 -4.353 -3.434 5.335 710 HG12 ILE 100 1HG1 ILE 100 -1.998 -2.868 5.780 711 HG13 ILE 100 2HG1 ILE 100 -2.839 -1.541 4.987 712 HG21 ILE 100 1HG2 ILE 100 -6.169 -2.259 6.292 713 HG22 ILE 100 2HG2 ILE 100 -5.098 -1.266 7.281 714 HG23 ILE 100 3HG2 ILE 100 -5.142 -1.043 5.532 715 HD11 ILE 100 1HD1 ILE 100 -2.357 -0.161 6.647 716 HD12 ILE 100 2HD1 ILE 100 -2.985 -1.288 7.850 717 HD13 ILE 100 3HD1 ILE 100 -1.314 -1.423 7.302 718 H HIS 101 H HIS 101 -6.118 -3.092 8.699 719 HA HIS 101 HA HIS 101 -7.448 -5.638 8.046 720 HB2 HIS 101 1HB HIS 101 -6.896 -4.870 10.519 721 HB3 HIS 101 2HB HIS 101 -8.371 -3.928 10.316 722 HD1 HIS 101 1HD HIS 101 -7.381 -6.976 11.692 723 HD2 HIS 101 2HD HIS 101 -10.486 -5.885 9.156 724 HE1 HIS 101 1HE HIS 101 -9.100 -8.799 11.911 725 HE2 HIS 101 2HE HIS 101 -10.931 -8.161 10.303 726 H ALA 102 H ALA 102 -9.425 -5.619 7.109 727 HA ALA 102 HA ALA 102 -10.565 -2.975 6.476 728 HB1 ALA 102 1HB ALA 102 -11.678 -4.454 4.586 729 HB2 ALA 102 2HB ALA 102 -10.061 -3.773 4.400 730 HB3 ALA 102 3HB ALA 102 -10.258 -5.459 4.877 731 H LEU 103 H LEU 103 -12.359 -2.534 7.561 732 HA LEU 103 HA LEU 103 -13.996 -4.718 8.604 733 HB2 LEU 103 1HB LEU 103 -14.413 -1.794 9.129 734 HB3 LEU 103 2HB LEU 103 -14.930 -3.169 10.102 735 HG LEU 103 HG LEU 103 -12.052 -2.340 9.747 736 HD11 LEU 103 1HD1 LEU 103 -12.146 -1.099 11.679 737 HD12 LEU 103 2HD1 LEU 103 -13.603 -1.907 12.257 738 HD13 LEU 103 3HD1 LEU 103 -13.710 -0.725 10.953 739 HD21 LEU 103 1HD2 LEU 103 -11.554 -4.221 10.810 740 HD22 LEU 103 2HD2 LEU 103 -13.253 -4.690 10.737 741 HD23 LEU 103 3HD2 LEU 103 -12.643 -3.797 12.132 742 HA PRO 104 HA PRO 104 -17.058 -4.228 5.468 743 HB2 PRO 104 1HB PRO 104 -19.124 -5.439 6.747 744 HB3 PRO 104 2HB PRO 104 -17.767 -6.333 6.053 745 HG2 PRO 104 1HG PRO 104 -18.248 -5.524 8.895 746 HG3 PRO 104 2HG PRO 104 -17.653 -7.068 8.257 747 HD2 PRO 104 1HD PRO 104 -16.005 -5.195 9.309 748 HD3 PRO 104 2HD PRO 104 -15.505 -6.275 7.992 749 H THR 105 H THR 105 -17.976 -2.328 5.033 750 HA THR 105 HA THR 105 -19.298 -0.831 7.172 751 HB THR 105 HB THR 105 -19.356 1.028 5.470 752 HG1 THR 105 1HG THR 105 -19.061 -0.527 3.662 753 HG21 THR 105 1HG2 THR 105 -16.584 -0.042 5.987 754 HG22 THR 105 2HG2 THR 105 -17.573 0.744 7.218 755 HG23 THR 105 3HG2 THR 105 -17.068 1.641 5.786 756 H GLY 106 H GLY 106 -20.581 -3.170 6.082 757 HA2 GLY 106 1HA GLY 106 -22.563 -3.861 5.120 758 HA3 GLY 106 2HA GLY 106 -23.190 -2.418 5.902 759 H ASP 107 H ASP 107 -24.028 -0.874 4.653 760 HA ASP 107 HA ASP 107 -24.053 -1.251 1.797 761 HB2 ASP 107 1HB ASP 107 -25.258 0.967 3.467 762 HB3 ASP 107 2HB ASP 107 -25.605 0.644 1.771 763 H ALA 108 H ALA 108 -22.865 -0.222 0.313 764 HA ALA 108 HA ALA 108 -21.403 2.202 1.089 765 HB1 ALA 108 1HB ALA 108 -20.240 -0.374 0.575 766 HB2 ALA 108 2HB ALA 108 -19.677 0.803 -0.612 767 HB3 ALA 108 3HB ALA 108 -19.466 1.118 1.111 768 H SER 109 H SER 109 -21.868 3.768 -0.295 769 HA SER 109 HA SER 109 -22.968 3.130 -2.906 770 HB2 SER 109 1HB SER 109 -23.951 4.902 -1.405 771 HB3 SER 109 2HB SER 109 -22.505 5.866 -1.702 772 HG SER 109 HG SER 109 -23.451 6.499 -3.455 773 H SER 110 H SER 110 -22.221 4.371 -4.823 774 HA SER 110 HA SER 110 -20.557 4.608 -6.377 775 HB2 SER 110 1HB SER 110 -19.488 6.295 -4.103 776 HB3 SER 110 2HB SER 110 -18.860 6.340 -5.750 777 HG SER 110 HG SER 110 -21.609 6.687 -5.347 778 H GLY 111 H GLY 111 -20.284 2.183 -5.202 779 HA2 GLY 111 1HA GLY 111 -17.374 1.852 -5.236 780 HA3 GLY 111 2HA GLY 111 -18.249 1.235 -3.842 781 HA PRO 112 HA PRO 112 -17.966 -2.214 -6.886 782 HB2 PRO 112 1HB PRO 112 -17.477 -4.117 -5.013 783 HB3 PRO 112 2HB PRO 112 -16.201 -3.127 -5.732 784 HG2 PRO 112 1HG PRO 112 -17.588 -2.808 -3.099 785 HG3 PRO 112 2HG PRO 112 -15.864 -2.650 -3.482 786 HD2 PRO 112 1HD PRO 112 -17.494 -0.508 -3.190 787 HD3 PRO 112 2HD PRO 112 -16.115 -0.513 -4.307 788 H SER 113 H SER 113 -19.921 -2.836 -7.547 789 HA SER 113 HA SER 113 -21.807 -3.888 -5.545 790 HB2 SER 113 1HB SER 113 -23.661 -2.872 -6.699 791 HB3 SER 113 2HB SER 113 -22.466 -1.613 -6.390 792 HG SER 113 HG SER 113 -22.628 -1.274 -8.458 793 H SER 114 H SER 114 -22.240 -5.952 -5.896 794 HA SER 114 HA SER 114 -22.037 -6.989 -8.646 795 HB2 SER 114 1HB SER 114 -20.448 -7.839 -6.769 796 HB3 SER 114 2HB SER 114 -21.861 -8.730 -6.202 797 HG SER 114 HG SER 114 -21.934 -9.820 -8.138 798 H GLY 115 H GLY 115 -23.752 -7.989 -9.537 799 HA2 GLY 115 1HA GLY 115 -25.904 -9.013 -7.880 800 HA3 GLY 115 2HA GLY 115 -26.320 -7.615 -8.861 Start of MODEL 2 1 H1 GLY 1 H GLY 1 14.866 -5.641 -18.146 2 HA2 GLY 1 1HA GLY 1 15.304 -4.302 -16.119 3 HA3 GLY 1 2HA GLY 1 13.979 -5.176 -15.365 4 H SER 2 H SER 2 16.622 -4.973 -14.335 5 HA SER 2 HA SER 2 17.932 -7.501 -14.866 6 HB2 SER 2 1HB SER 2 19.537 -6.706 -13.097 7 HB3 SER 2 2HB SER 2 19.373 -5.615 -14.474 8 HG SER 2 HG SER 2 19.255 -4.746 -12.194 9 H SER 3 H SER 3 18.457 -9.016 -13.142 10 HA SER 3 HA SER 3 16.172 -9.840 -11.718 11 HB2 SER 3 1HB SER 3 17.590 -11.571 -10.773 12 HB3 SER 3 2HB SER 3 17.992 -11.364 -12.478 13 HG SER 3 HG SER 3 19.401 -10.072 -10.387 14 H GLY 4 H GLY 4 18.279 -7.354 -11.055 15 HA2 GLY 4 1HA GLY 4 17.137 -6.532 -8.701 16 HA3 GLY 4 2HA GLY 4 18.445 -7.597 -8.205 17 H SER 5 H SER 5 17.592 -4.486 -9.353 18 HA SER 5 HA SER 5 20.244 -3.693 -10.128 19 HB2 SER 5 1HB SER 5 19.250 -1.411 -10.246 20 HB3 SER 5 2HB SER 5 18.342 -2.605 -11.173 21 HG SER 5 HG SER 5 16.864 -2.722 -9.446 22 H SER 6 H SER 6 21.815 -2.918 -8.876 23 HA SER 6 HA SER 6 21.177 -2.344 -6.061 24 HB2 SER 6 1HB SER 6 23.628 -3.441 -7.412 25 HB3 SER 6 2HB SER 6 23.748 -2.676 -5.827 26 HG SER 6 HG SER 6 21.700 -4.474 -5.991 27 H GLY 7 H GLY 7 20.939 -0.225 -5.746 28 HA2 GLY 7 1HA GLY 7 22.981 1.565 -6.909 29 HA3 GLY 7 2HA GLY 7 21.281 2.006 -6.875 30 H ALA 8 H ALA 8 21.335 3.756 -5.562 31 HA ALA 8 HA ALA 8 22.275 3.297 -2.808 32 HB1 ALA 8 1HB ALA 8 23.649 4.895 -4.348 33 HB2 ALA 8 2HB ALA 8 22.348 6.034 -3.996 34 HB3 ALA 8 3HB ALA 8 23.303 5.352 -2.679 35 H HIS 9 H HIS 9 20.043 2.668 -2.415 36 HA HIS 9 HA HIS 9 18.331 5.021 -1.987 37 HB2 HIS 9 1HB HIS 9 16.355 3.568 -2.487 38 HB3 HIS 9 2HB HIS 9 17.386 3.876 -3.881 39 HD1 HIS 9 1HD HIS 9 18.747 1.872 -4.814 40 HD2 HIS 9 2HD HIS 9 16.226 0.910 -1.655 41 HE1 HIS 9 1HE HIS 9 18.625 -0.640 -4.792 42 HE2 HIS 9 2HE HIS 9 17.027 -1.195 -2.926 43 H ASP 10 H ASP 10 17.041 4.988 -0.138 44 HA ASP 10 HA ASP 10 17.567 2.784 1.744 45 HB2 ASP 10 1HB ASP 10 17.813 5.738 2.139 46 HB3 ASP 10 2HB ASP 10 17.295 4.741 3.496 47 H ALA 11 H ALA 11 15.656 1.738 1.712 48 HA ALA 11 HA ALA 11 13.133 2.964 1.401 49 HB1 ALA 11 1HB ALA 11 14.101 0.365 1.442 50 HB2 ALA 11 2HB ALA 11 13.005 0.446 2.822 51 HB3 ALA 11 3HB ALA 11 12.425 0.863 1.210 52 H SER 12 H SER 12 15.175 2.495 4.144 53 HA SER 12 HA SER 12 13.213 2.590 6.179 54 HB2 SER 12 1HB SER 12 15.117 3.195 7.666 55 HB3 SER 12 2HB SER 12 15.457 1.788 6.659 56 HG SER 12 HG SER 12 16.166 4.278 5.639 57 H LYS 13 H LYS 13 14.198 4.915 3.986 58 HA LYS 13 HA LYS 13 13.601 7.162 5.768 59 HB2 LYS 13 1HB LYS 13 14.636 7.142 2.927 60 HB3 LYS 13 2HB LYS 13 14.410 8.577 3.919 61 HG2 LYS 13 1HG LYS 13 16.147 6.388 4.941 62 HG3 LYS 13 2HG LYS 13 16.763 7.455 3.676 63 HD2 LYS 13 1HD LYS 13 16.245 9.400 5.093 64 HD3 LYS 13 2HD LYS 13 15.682 8.310 6.362 65 HE2 LYS 13 1HE LYS 13 18.014 7.245 6.196 66 HE3 LYS 13 2HE LYS 13 18.467 8.704 5.316 67 HZ1 LYS 13 1HZ LYS 13 17.555 8.468 8.119 68 HZ2 LYS 13 2HZ LYS 13 17.531 9.947 7.298 69 HZ3 LYS 13 3HZ LYS 13 18.996 9.135 7.535 70 H VAL 14 H VAL 14 11.751 5.104 4.288 71 HA VAL 14 HA VAL 14 10.025 7.013 2.889 72 HB VAL 14 HB VAL 14 9.817 4.004 3.085 73 HG11 VAL 14 1HG1 VAL 14 8.381 5.036 0.884 74 HG12 VAL 14 2HG1 VAL 14 7.746 4.220 2.314 75 HG13 VAL 14 3HG1 VAL 14 7.909 5.976 2.299 76 HG21 VAL 14 1HG2 VAL 14 10.399 4.217 0.603 77 HG22 VAL 14 2HG2 VAL 14 10.950 5.844 0.999 78 HG23 VAL 14 3HG2 VAL 14 11.704 4.447 1.767 79 H ARG 15 H ARG 15 8.349 7.900 3.887 80 HA ARG 15 HA ARG 15 7.418 6.725 6.407 81 HB2 ARG 15 1HB ARG 15 7.470 9.475 5.273 82 HB3 ARG 15 2HB ARG 15 6.144 9.072 6.356 83 HG2 ARG 15 1HG ARG 15 8.903 8.404 7.222 84 HG3 ARG 15 2HG ARG 15 8.407 10.097 7.240 85 HD2 ARG 15 1HD ARG 15 6.397 9.397 8.563 86 HD3 ARG 15 2HD ARG 15 7.111 7.789 8.679 87 HE ARG 15 HE ARG 15 9.063 9.451 9.594 88 HH11 ARG 15 1HH1 ARG 15 5.724 8.915 10.421 89 HH12 ARG 15 2HH1 ARG 15 5.933 9.341 12.088 90 HH21 ARG 15 1HH2 ARG 15 9.351 10.013 11.786 91 HH22 ARG 15 2HH2 ARG 15 7.997 9.966 12.863 92 H ALA 16 H ALA 16 5.539 5.693 6.506 93 HA ALA 16 HA ALA 16 3.666 5.979 4.256 94 HB1 ALA 16 1HB ALA 16 2.886 3.761 5.742 95 HB2 ALA 16 2HB ALA 16 3.761 3.758 4.210 96 HB3 ALA 16 3HB ALA 16 4.649 3.701 5.733 97 H SER 17 H SER 17 1.903 7.137 4.625 98 HA SER 17 HA SER 17 0.487 6.878 7.151 99 HB2 SER 17 1HB SER 17 0.403 9.248 7.607 100 HB3 SER 17 2HB SER 17 2.095 8.778 7.453 101 HG SER 17 HG SER 17 2.114 9.644 5.384 102 H GLY 18 H GLY 18 -1.691 7.702 7.069 103 HA2 GLY 18 1HA GLY 18 -3.281 8.947 5.524 104 HA3 GLY 18 2HA GLY 18 -2.698 7.832 4.297 105 HA PRO 19 HA PRO 19 -6.514 6.116 6.421 106 HB2 PRO 19 1HB PRO 19 -8.022 5.904 4.174 107 HB3 PRO 19 2HB PRO 19 -7.983 7.363 5.170 108 HG2 PRO 19 1HG PRO 19 -6.525 6.769 2.624 109 HG3 PRO 19 2HG PRO 19 -7.354 8.257 3.118 110 HD2 PRO 19 1HD PRO 19 -4.665 7.968 3.267 111 HD3 PRO 19 2HD PRO 19 -5.584 8.960 4.417 112 H GLY 20 H GLY 20 -5.183 5.324 3.210 113 HA2 GLY 20 1HA GLY 20 -5.995 2.653 3.110 114 HA3 GLY 20 2HA GLY 20 -4.605 3.315 2.264 115 H LEU 21 H LEU 21 -3.381 4.136 4.862 116 HA LEU 21 HA LEU 21 -2.327 1.489 5.576 117 HB2 LEU 21 1HB LEU 21 -1.105 4.200 6.061 118 HB3 LEU 21 2HB LEU 21 -0.343 2.637 6.348 119 HG LEU 21 HG LEU 21 -1.140 3.669 3.628 120 HD11 LEU 21 1HD1 LEU 21 1.691 3.425 4.100 121 HD12 LEU 21 2HD1 LEU 21 0.957 4.556 5.235 122 HD13 LEU 21 3HD1 LEU 21 0.765 4.800 3.499 123 HD21 LEU 21 1HD2 LEU 21 0.056 1.829 2.750 124 HD22 LEU 21 2HD2 LEU 21 -0.993 1.175 4.009 125 HD23 LEU 21 3HD2 LEU 21 0.726 1.415 4.329 126 H ASN 22 H ASN 22 -4.797 2.477 6.669 127 HA ASN 22 HA ASN 22 -4.308 3.457 9.318 128 HB2 ASN 22 1HB ASN 22 -6.422 3.806 7.920 129 HB3 ASN 22 2HB ASN 22 -6.853 2.155 8.358 130 HD21 ASN 22 1HD2 ASN 22 -8.240 2.083 9.954 131 HD22 ASN 22 2HD2 ASN 22 -8.304 3.157 11.306 132 H ALA 23 H ALA 23 -3.637 2.294 10.984 133 HA ALA 23 HA ALA 23 -3.543 -0.581 10.853 134 HB1 ALA 23 1HB ALA 23 -2.101 -0.492 12.631 135 HB2 ALA 23 2HB ALA 23 -1.856 1.112 11.939 136 HB3 ALA 23 3HB ALA 23 -2.896 0.909 13.349 137 H SER 24 H SER 24 -5.619 1.811 12.242 138 HA SER 24 HA SER 24 -6.805 0.132 14.227 139 HB2 SER 24 1HB SER 24 -7.554 2.784 13.013 140 HB3 SER 24 2HB SER 24 -8.627 1.958 14.143 141 HG SER 24 HG SER 24 -6.422 1.860 15.378 142 H GLY 25 H GLY 25 -7.260 0.605 10.837 143 HA2 GLY 25 1HA GLY 25 -8.442 -1.364 9.812 144 HA3 GLY 25 2HA GLY 25 -9.732 -1.010 10.951 145 H ILE 26 H ILE 26 -9.320 -0.950 7.873 146 HA ILE 26 HA ILE 26 -10.432 1.745 7.450 147 HB ILE 26 HB ILE 26 -9.721 1.588 5.132 148 HG12 ILE 26 1HG1 ILE 26 -8.221 -0.941 5.717 149 HG13 ILE 26 2HG1 ILE 26 -9.914 -1.026 5.243 150 HG21 ILE 26 1HG2 ILE 26 -8.168 2.445 6.876 151 HG22 ILE 26 2HG2 ILE 26 -7.429 0.846 6.941 152 HG23 ILE 26 3HG2 ILE 26 -7.353 1.792 5.455 153 HD11 ILE 26 1HD1 ILE 26 -8.198 -1.271 3.407 154 HD12 ILE 26 2HD1 ILE 26 -9.475 -0.085 3.138 155 HD13 ILE 26 3HD1 ILE 26 -7.866 0.447 3.622 156 HA PRO 27 HA PRO 27 -14.291 -0.019 6.296 157 HB2 PRO 27 1HB PRO 27 -15.197 1.905 4.609 158 HB3 PRO 27 2HB PRO 27 -15.128 2.120 6.362 159 HG2 PRO 27 1HG PRO 27 -13.220 3.071 4.260 160 HG3 PRO 27 2HG PRO 27 -13.841 3.933 5.680 161 HD2 PRO 27 1HD PRO 27 -11.385 2.793 5.626 162 HD3 PRO 27 2HD PRO 27 -12.354 2.906 7.110 163 H ALA 28 H ALA 28 -14.270 -1.794 5.050 164 HA ALA 28 HA ALA 28 -12.950 -2.014 2.564 165 HB1 ALA 28 1HB ALA 28 -14.350 -3.736 4.338 166 HB2 ALA 28 2HB ALA 28 -14.997 -3.968 2.713 167 HB3 ALA 28 3HB ALA 28 -13.269 -4.161 3.011 168 H SER 29 H SER 29 -14.211 -2.830 0.569 169 HA SER 29 HA SER 29 -15.537 -2.283 -1.197 170 HB2 SER 29 1HB SER 29 -17.863 -2.194 -0.818 171 HB3 SER 29 2HB SER 29 -17.244 -3.156 0.524 172 HG SER 29 HG SER 29 -18.770 -1.192 0.836 173 H LEU 30 H LEU 30 -13.790 -0.267 -0.210 174 HA LEU 30 HA LEU 30 -15.062 2.048 -1.402 175 HB2 LEU 30 1HB LEU 30 -15.632 2.266 0.965 176 HB3 LEU 30 2HB LEU 30 -13.926 2.141 1.390 177 HG LEU 30 HG LEU 30 -13.783 4.265 -0.214 178 HD11 LEU 30 1HD1 LEU 30 -16.569 4.380 0.933 179 HD12 LEU 30 2HD1 LEU 30 -16.143 4.286 -0.775 180 HD13 LEU 30 3HD1 LEU 30 -15.722 5.720 0.160 181 HD21 LEU 30 1HD2 LEU 30 -14.210 3.893 2.677 182 HD22 LEU 30 2HD2 LEU 30 -14.455 5.531 2.070 183 HD23 LEU 30 3HD2 LEU 30 -12.911 4.717 1.815 184 HA PRO 31 HA PRO 31 -10.980 2.417 -3.038 185 HB2 PRO 31 1HB PRO 31 -11.210 4.918 -4.068 186 HB3 PRO 31 2HB PRO 31 -11.961 3.501 -4.810 187 HG2 PRO 31 1HG PRO 31 -13.181 5.579 -3.034 188 HG3 PRO 31 2HG PRO 31 -13.837 4.841 -4.507 189 HD2 PRO 31 1HD PRO 31 -14.594 4.063 -2.026 190 HD3 PRO 31 2HD PRO 31 -14.525 2.941 -3.400 191 H VAL 32 H VAL 32 -9.517 2.524 -1.391 192 HA VAL 32 HA VAL 32 -9.201 5.112 -0.019 193 HB VAL 32 HB VAL 32 -9.667 3.048 1.385 194 HG11 VAL 32 1HG1 VAL 32 -8.076 1.639 -0.035 195 HG12 VAL 32 2HG1 VAL 32 -6.780 2.383 0.902 196 HG13 VAL 32 3HG1 VAL 32 -8.015 1.421 1.714 197 HG21 VAL 32 1HG2 VAL 32 -7.858 3.639 3.045 198 HG22 VAL 32 2HG2 VAL 32 -7.212 4.735 1.824 199 HG23 VAL 32 3HG2 VAL 32 -8.836 4.987 2.465 200 H GLU 33 H GLU 33 -7.203 6.091 0.075 201 HA GLU 33 HA GLU 33 -4.957 4.794 -1.279 202 HB2 GLU 33 1HB GLU 33 -4.494 6.853 -2.575 203 HB3 GLU 33 2HB GLU 33 -6.006 6.083 -3.034 204 HG2 GLU 33 1HG GLU 33 -7.285 7.778 -2.219 205 HG3 GLU 33 2HG GLU 33 -6.111 8.218 -0.981 206 H PHE 34 H PHE 34 -3.006 5.258 -0.409 207 HA PHE 34 HA PHE 34 -2.988 7.135 1.855 208 HB2 PHE 34 1HB PHE 34 -0.901 5.832 2.521 209 HB3 PHE 34 2HB PHE 34 -2.431 4.967 2.631 210 HD1 PHE 34 1HD PHE 34 -3.065 3.431 0.703 211 HD2 PHE 34 2HD PHE 34 0.859 4.981 1.263 212 HE1 PHE 34 1HE PHE 34 -2.160 1.646 -0.729 213 HE2 PHE 34 2HE PHE 34 1.771 3.200 -0.169 214 HZ PHE 34 HZ PHE 34 0.261 1.530 -1.167 215 H THR 35 H THR 35 -0.425 7.680 2.249 216 HA THR 35 HA THR 35 0.665 8.669 -0.292 217 HB THR 35 HB THR 35 0.346 10.351 2.202 218 HG1 THR 35 1HG THR 35 -1.561 10.570 1.242 219 HG21 THR 35 1HG2 THR 35 1.323 11.328 -0.461 220 HG22 THR 35 2HG2 THR 35 2.443 10.637 0.714 221 HG23 THR 35 3HG2 THR 35 1.501 12.069 1.129 222 H ILE 36 H ILE 36 2.741 8.166 -0.504 223 HA ILE 36 HA ILE 36 4.247 7.373 1.885 224 HB ILE 36 HB ILE 36 4.964 6.891 -1.007 225 HG12 ILE 36 1HG1 ILE 36 2.811 5.796 -0.109 226 HG13 ILE 36 2HG1 ILE 36 4.007 4.751 -0.867 227 HG21 ILE 36 1HG2 ILE 36 6.849 6.881 0.577 228 HG22 ILE 36 2HG2 ILE 36 6.030 5.636 1.518 229 HG23 ILE 36 3HG2 ILE 36 6.557 5.292 -0.129 230 HD11 ILE 36 1HD1 ILE 36 3.922 5.160 2.099 231 HD12 ILE 36 2HD1 ILE 36 2.935 3.944 1.288 232 HD13 ILE 36 3HD1 ILE 36 4.693 3.866 1.182 233 H ASP 37 H ASP 37 4.849 9.418 2.630 234 HA ASP 37 HA ASP 37 6.244 11.258 0.901 235 HB2 ASP 37 1HB ASP 37 5.893 11.317 3.906 236 HB3 ASP 37 2HB ASP 37 6.470 12.646 2.904 237 H ALA 38 H ALA 38 8.097 10.250 0.187 238 HA ALA 38 HA ALA 38 10.140 9.769 2.253 239 HB1 ALA 38 1HB ALA 38 10.123 8.201 -0.295 240 HB2 ALA 38 2HB ALA 38 10.893 7.823 1.247 241 HB3 ALA 38 3HB ALA 38 9.143 7.690 1.079 242 H ARG 39 H ARG 39 11.745 11.173 2.053 243 HA ARG 39 HA ARG 39 12.203 12.491 -0.512 244 HB2 ARG 39 1HB ARG 39 13.418 13.070 2.196 245 HB3 ARG 39 2HB ARG 39 13.577 14.062 0.753 246 HG2 ARG 39 1HG ARG 39 11.902 15.210 1.727 247 HG3 ARG 39 2HG ARG 39 10.909 13.986 0.932 248 HD2 ARG 39 1HD ARG 39 10.156 14.125 3.176 249 HD3 ARG 39 2HD ARG 39 11.082 12.631 3.044 250 HE ARG 39 HE ARG 39 12.590 13.479 4.540 251 HH11 ARG 39 1HH1 ARG 39 10.635 16.079 3.301 252 HH12 ARG 39 2HH1 ARG 39 11.270 17.255 4.403 253 HH21 ARG 39 1HH2 ARG 39 13.433 15.018 5.997 254 HH22 ARG 39 2HH2 ARG 39 12.862 16.651 5.936 255 H ASP 40 H ASP 40 14.199 10.997 2.042 256 HA ASP 40 HA ASP 40 16.374 10.623 0.151 257 HB2 ASP 40 1HB ASP 40 16.486 11.286 2.714 258 HB3 ASP 40 2HB ASP 40 16.471 9.538 2.931 259 H ALA 41 H ALA 41 13.821 9.140 -0.111 260 HA ALA 41 HA ALA 41 14.109 6.464 0.689 261 HB1 ALA 41 1HB ALA 41 12.706 7.100 -1.856 262 HB2 ALA 41 2HB ALA 41 12.224 6.038 -0.532 263 HB3 ALA 41 3HB ALA 41 12.085 7.787 -0.355 264 H GLY 42 H GLY 42 15.493 8.258 -1.950 265 HA2 GLY 42 1HA GLY 42 17.613 7.272 -2.791 266 HA3 GLY 42 2HA GLY 42 16.730 5.760 -2.935 267 H GLU 43 H GLU 43 17.878 6.294 -5.154 268 HA GLU 43 HA GLU 43 16.040 7.856 -6.830 269 HB2 GLU 43 1HB GLU 43 18.926 7.161 -7.013 270 HB3 GLU 43 2HB GLU 43 18.037 7.317 -8.521 271 HG2 GLU 43 1HG GLU 43 17.512 9.570 -8.103 272 HG3 GLU 43 2HG GLU 43 17.995 9.449 -6.412 273 H GLY 44 H GLY 44 14.445 6.150 -6.788 274 HA2 GLY 44 1HA GLY 44 14.883 4.256 -8.949 275 HA3 GLY 44 2HA GLY 44 14.571 3.542 -7.374 276 H LEU 45 H LEU 45 12.684 2.591 -8.375 277 HA LEU 45 HA LEU 45 10.462 4.506 -8.653 278 HB2 LEU 45 1HB LEU 45 9.420 3.062 -10.201 279 HB3 LEU 45 2HB LEU 45 11.105 3.201 -10.699 280 HG LEU 45 HG LEU 45 11.322 0.966 -9.290 281 HD11 LEU 45 1HD1 LEU 45 9.431 -0.376 -9.216 282 HD12 LEU 45 2HD1 LEU 45 8.554 0.622 -10.375 283 HD13 LEU 45 3HD1 LEU 45 8.817 1.204 -8.731 284 HD21 LEU 45 1HD2 LEU 45 12.018 0.719 -11.434 285 HD22 LEU 45 2HD2 LEU 45 10.593 1.511 -12.107 286 HD23 LEU 45 3HD2 LEU 45 10.496 -0.164 -11.561 287 H LEU 46 H LEU 46 8.699 4.256 -7.396 288 HA LEU 46 HA LEU 46 8.848 2.385 -5.212 289 HB2 LEU 46 1HB LEU 46 8.073 4.575 -4.707 290 HB3 LEU 46 2HB LEU 46 6.859 4.506 -5.983 291 HG LEU 46 HG LEU 46 5.921 2.521 -4.527 292 HD11 LEU 46 1HD1 LEU 46 7.525 2.334 -2.840 293 HD12 LEU 46 2HD1 LEU 46 6.203 3.223 -2.084 294 HD13 LEU 46 3HD1 LEU 46 7.643 4.082 -2.631 295 HD21 LEU 46 1HD2 LEU 46 4.861 4.547 -3.086 296 HD22 LEU 46 2HD2 LEU 46 4.366 4.135 -4.728 297 HD23 LEU 46 3HD2 LEU 46 5.527 5.435 -4.456 298 H THR 47 H THR 47 7.546 0.643 -4.816 299 HA THR 47 HA THR 47 5.600 -0.088 -6.900 300 HB THR 47 HB THR 47 6.295 -2.436 -6.736 301 HG1 THR 47 1HG THR 47 7.446 -2.963 -5.047 302 HG21 THR 47 1HG2 THR 47 8.440 -2.247 -7.907 303 HG22 THR 47 2HG2 THR 47 8.589 -0.574 -7.368 304 HG23 THR 47 3HG2 THR 47 7.295 -1.034 -8.474 305 H VAL 48 H VAL 48 3.735 -1.041 -6.207 306 HA VAL 48 HA VAL 48 3.491 -1.637 -3.337 307 HB VAL 48 HB VAL 48 1.530 -0.039 -4.986 308 HG11 VAL 48 1HG1 VAL 48 0.073 -1.197 -3.666 309 HG12 VAL 48 2HG1 VAL 48 1.263 -1.458 -2.389 310 HG13 VAL 48 3HG1 VAL 48 0.483 0.115 -2.562 311 HG21 VAL 48 1HG2 VAL 48 3.753 0.776 -3.520 312 HG22 VAL 48 2HG2 VAL 48 2.436 1.793 -4.102 313 HG23 VAL 48 3HG2 VAL 48 2.372 1.113 -2.476 314 H GLN 49 H GLN 49 2.248 -3.380 -2.819 315 HA GLN 49 HA GLN 49 0.669 -4.665 -4.918 316 HB2 GLN 49 1HB GLN 49 2.851 -5.733 -5.059 317 HB3 GLN 49 2HB GLN 49 2.834 -6.052 -3.330 318 HG2 GLN 49 1HG GLN 49 2.263 -8.086 -4.297 319 HG3 GLN 49 2HG GLN 49 0.722 -7.408 -3.775 320 HE21 GLN 49 1HE2 GLN 49 -0.857 -7.313 -5.211 321 HE22 GLN 49 2HE2 GLN 49 -0.680 -7.487 -6.921 322 H ILE 50 H ILE 50 -1.143 -5.658 -4.191 323 HA ILE 50 HA ILE 50 -1.481 -5.907 -1.276 324 HB ILE 50 HB ILE 50 -3.681 -5.061 -3.157 325 HG12 ILE 50 1HG1 ILE 50 -2.152 -3.281 -1.254 326 HG13 ILE 50 2HG1 ILE 50 -1.797 -3.385 -2.975 327 HG21 ILE 50 1HG2 ILE 50 -4.912 -5.687 -1.399 328 HG22 ILE 50 2HG2 ILE 50 -3.511 -5.763 -0.331 329 HG23 ILE 50 3HG2 ILE 50 -4.311 -4.220 -0.627 330 HD11 ILE 50 1HD1 ILE 50 -3.149 -1.522 -2.827 331 HD12 ILE 50 2HD1 ILE 50 -4.287 -2.790 -3.282 332 HD13 ILE 50 3HD1 ILE 50 -4.193 -2.249 -1.606 333 H LEU 51 H LEU 51 -2.213 -7.820 -0.593 334 HA LEU 51 HA LEU 51 -3.301 -9.678 -2.605 335 HB2 LEU 51 1HB LEU 51 -1.697 -10.285 -0.126 336 HB3 LEU 51 2HB LEU 51 -2.403 -11.494 -1.196 337 HG LEU 51 HG LEU 51 -0.110 -9.628 -1.749 338 HD11 LEU 51 1HD1 LEU 51 -0.486 -12.565 -1.426 339 HD12 LEU 51 2HD1 LEU 51 0.782 -11.513 -0.799 340 HD13 LEU 51 3HD1 LEU 51 0.781 -11.974 -2.501 341 HD21 LEU 51 1HD2 LEU 51 -0.107 -10.443 -4.041 342 HD22 LEU 51 2HD2 LEU 51 -1.614 -9.598 -3.684 343 HD23 LEU 51 3HD2 LEU 51 -1.581 -11.361 -3.732 344 H ASP 52 H ASP 52 -5.418 -9.907 -2.355 345 HA ASP 52 HA ASP 52 -7.049 -9.115 -0.354 346 HB2 ASP 52 1HB ASP 52 -8.391 -11.339 -1.043 347 HB3 ASP 52 2HB ASP 52 -8.308 -9.915 -2.075 348 HA PRO 53 HA PRO 53 -6.544 -11.563 3.248 349 HB2 PRO 53 1HB PRO 53 -9.100 -12.001 4.054 350 HB3 PRO 53 2HB PRO 53 -8.312 -10.423 4.171 351 HG2 PRO 53 1HG PRO 53 -10.219 -11.439 2.099 352 HG3 PRO 53 2HG PRO 53 -10.171 -9.855 2.895 353 HD2 PRO 53 1HD PRO 53 -9.193 -10.264 0.403 354 HD3 PRO 53 2HD PRO 53 -8.493 -9.075 1.521 355 H GLU 54 H GLU 54 -7.530 -12.911 0.454 356 HA GLU 54 HA GLU 54 -8.114 -15.540 1.629 357 HB2 GLU 54 1HB GLU 54 -8.559 -14.467 -1.159 358 HB3 GLU 54 2HB GLU 54 -8.826 -16.143 -0.702 359 HG2 GLU 54 1HG GLU 54 -10.525 -15.454 0.895 360 HG3 GLU 54 2HG GLU 54 -10.243 -13.765 0.479 361 H GLY 55 H GLY 55 -5.873 -13.781 -0.393 362 HA2 GLY 55 1HA GLY 55 -3.546 -14.585 -0.297 363 HA3 GLY 55 2HA GLY 55 -4.188 -16.206 -0.513 364 H LYS 56 H LYS 56 -5.195 -13.299 -2.240 365 HA LYS 56 HA LYS 56 -3.948 -14.365 -4.681 366 HB2 LYS 56 1HB LYS 56 -6.701 -13.133 -4.645 367 HB3 LYS 56 2HB LYS 56 -5.914 -13.976 -5.972 368 HG2 LYS 56 1HG LYS 56 -6.557 -15.354 -3.388 369 HG3 LYS 56 2HG LYS 56 -7.735 -15.215 -4.695 370 HD2 LYS 56 1HD LYS 56 -6.462 -16.530 -6.143 371 HD3 LYS 56 2HD LYS 56 -4.984 -16.296 -5.206 372 HE2 LYS 56 1HE LYS 56 -5.516 -18.420 -4.560 373 HE3 LYS 56 2HE LYS 56 -6.401 -17.510 -3.336 374 HZ1 LYS 56 1HZ LYS 56 -7.460 -19.397 -4.961 375 HZ2 LYS 56 2HZ LYS 56 -7.913 -17.963 -5.736 376 HZ3 LYS 56 3HZ LYS 56 -8.345 -18.224 -4.122 377 HA PRO 57 HA PRO 57 -2.482 -10.281 -5.358 378 HB2 PRO 57 1HB PRO 57 -2.390 -10.214 -8.071 379 HB3 PRO 57 2HB PRO 57 -1.249 -11.145 -7.094 380 HG2 PRO 57 1HG PRO 57 -3.697 -12.073 -8.544 381 HG3 PRO 57 2HG PRO 57 -2.100 -12.836 -8.444 382 HD2 PRO 57 1HD PRO 57 -4.200 -13.649 -6.940 383 HD3 PRO 57 2HD PRO 57 -2.522 -13.738 -6.366 384 H LYS 58 H LYS 58 -3.332 -8.284 -5.473 385 HA LYS 58 HA LYS 58 -6.013 -8.007 -6.654 386 HB2 LYS 58 1HB LYS 58 -4.654 -6.447 -4.453 387 HB3 LYS 58 2HB LYS 58 -6.201 -5.997 -5.159 388 HG2 LYS 58 1HG LYS 58 -5.680 -8.648 -3.836 389 HG3 LYS 58 2HG LYS 58 -6.345 -7.242 -3.001 390 HD2 LYS 58 1HD LYS 58 -7.581 -8.449 -5.470 391 HD3 LYS 58 2HD LYS 58 -8.042 -8.905 -3.829 392 HE2 LYS 58 1HE LYS 58 -8.305 -6.291 -3.558 393 HE3 LYS 58 2HE LYS 58 -8.512 -6.365 -5.307 394 HZ1 LYS 58 1HZ LYS 58 -10.367 -7.005 -3.285 395 HZ2 LYS 58 2HZ LYS 58 -10.076 -8.384 -4.220 396 HZ3 LYS 58 3HZ LYS 58 -10.602 -6.957 -4.960 397 H LYS 59 H LYS 59 -6.337 -5.423 -7.037 398 HA LYS 59 HA LYS 59 -4.200 -4.693 -8.928 399 HB2 LYS 59 1HB LYS 59 -6.407 -5.164 -9.946 400 HB3 LYS 59 2HB LYS 59 -7.115 -3.886 -8.966 401 HG2 LYS 59 1HG LYS 59 -5.535 -2.288 -10.073 402 HG3 LYS 59 2HG LYS 59 -5.085 -3.599 -11.166 403 HD2 LYS 59 1HD LYS 59 -7.567 -3.805 -11.688 404 HD3 LYS 59 2HD LYS 59 -7.762 -2.260 -10.856 405 HE2 LYS 59 1HE LYS 59 -5.921 -1.413 -12.436 406 HE3 LYS 59 2HE LYS 59 -6.253 -2.865 -13.379 407 HZ1 LYS 59 1HZ LYS 59 -8.279 -2.105 -14.015 408 HZ2 LYS 59 2HZ LYS 59 -7.506 -0.613 -13.825 409 HZ3 LYS 59 3HZ LYS 59 -8.526 -1.196 -12.609 410 H ALA 60 H ALA 60 -2.953 -3.080 -8.273 411 HA ALA 60 HA ALA 60 -4.172 -0.904 -6.705 412 HB1 ALA 60 1HB ALA 60 -1.307 -1.676 -6.329 413 HB2 ALA 60 2HB ALA 60 -2.384 -0.804 -5.237 414 HB3 ALA 60 3HB ALA 60 -2.585 -2.541 -5.474 415 H ASN 61 H ASN 61 -3.124 1.180 -6.921 416 HA ASN 61 HA ASN 61 -1.658 1.469 -9.462 417 HB2 ASN 61 1HB ASN 61 -3.697 3.392 -8.317 418 HB3 ASN 61 2HB ASN 61 -2.820 3.589 -9.832 419 HD21 ASN 61 1HD2 ASN 61 -4.908 1.254 -8.172 420 HD22 ASN 61 2HD2 ASN 61 -5.799 0.793 -9.579 421 H ILE 62 H ILE 62 -0.114 3.146 -9.579 422 HA ILE 62 HA ILE 62 0.627 4.380 -7.015 423 HB ILE 62 HB ILE 62 2.578 3.097 -8.932 424 HG12 ILE 62 1HG1 ILE 62 2.192 2.240 -6.091 425 HG13 ILE 62 2HG1 ILE 62 1.061 1.673 -7.314 426 HG21 ILE 62 1HG2 ILE 62 2.889 4.832 -6.534 427 HG22 ILE 62 2HG2 ILE 62 4.074 3.558 -6.818 428 HG23 ILE 62 3HG2 ILE 62 3.811 4.806 -8.037 429 HD11 ILE 62 1HD1 ILE 62 3.756 0.809 -6.740 430 HD12 ILE 62 2HD1 ILE 62 2.492 0.024 -7.688 431 HD13 ILE 62 3HD1 ILE 62 3.543 1.223 -8.441 432 H ARG 63 H ARG 63 1.419 6.438 -7.129 433 HA ARG 63 HA ARG 63 1.608 7.629 -9.818 434 HB2 ARG 63 1HB ARG 63 -0.414 8.394 -8.695 435 HB3 ARG 63 2HB ARG 63 0.522 8.873 -7.286 436 HG2 ARG 63 1HG ARG 63 0.053 10.848 -8.480 437 HG3 ARG 63 2HG ARG 63 1.751 10.477 -8.789 438 HD2 ARG 63 1HD ARG 63 0.683 11.142 -10.849 439 HD3 ARG 63 2HD ARG 63 1.098 9.431 -10.927 440 HE ARG 63 HE ARG 63 -1.552 9.745 -10.003 441 HH11 ARG 63 1HH1 ARG 63 0.379 10.008 -12.888 442 HH12 ARG 63 2HH1 ARG 63 -0.938 9.659 -13.958 443 HH21 ARG 63 1HH2 ARG 63 -3.293 9.284 -11.402 444 HH22 ARG 63 2HH2 ARG 63 -3.027 9.248 -13.112 445 H ASP 64 H ASP 64 3.164 9.244 -10.141 446 HA ASP 64 HA ASP 64 5.302 9.272 -8.116 447 HB2 ASP 64 1HB ASP 64 6.770 9.932 -10.088 448 HB3 ASP 64 2HB ASP 64 6.151 8.283 -10.097 449 H ASN 65 H ASN 65 5.231 11.076 -6.949 450 HA ASN 65 HA ASN 65 4.123 13.521 -7.988 451 HB2 ASN 65 1HB ASN 65 5.149 12.578 -5.354 452 HB3 ASN 65 2HB ASN 65 5.134 14.314 -5.648 453 HD21 ASN 65 1HD2 ASN 65 3.228 11.468 -5.177 454 HD22 ASN 65 2HD2 ASN 65 1.705 12.265 -4.998 455 H GLY 66 H GLY 66 7.337 12.489 -6.843 456 HA2 GLY 66 1HA GLY 66 9.370 13.082 -7.898 457 HA3 GLY 66 2HA GLY 66 8.541 14.413 -8.692 458 H ASP 67 H ASP 67 7.324 15.015 -5.933 459 HA ASP 67 HA ASP 67 9.432 16.842 -5.141 460 HB2 ASP 67 1HB ASP 67 7.207 17.755 -5.259 461 HB3 ASP 67 2HB ASP 67 6.581 16.494 -4.200 462 H GLY 68 H GLY 68 9.450 13.828 -4.640 463 HA2 GLY 68 1HA GLY 68 10.675 12.682 -3.002 464 HA3 GLY 68 2HA GLY 68 10.442 14.039 -1.909 465 H THR 69 H THR 69 7.737 12.682 -3.612 466 HA THR 69 HA THR 69 6.964 11.019 -1.352 467 HB THR 69 HB THR 69 4.795 12.080 -1.054 468 HG1 THR 69 1HG THR 69 5.110 13.067 -3.373 469 HG21 THR 69 1HG2 THR 69 6.713 14.367 -0.885 470 HG22 THR 69 2HG2 THR 69 6.996 12.922 0.085 471 HG23 THR 69 3HG2 THR 69 5.498 13.833 0.276 472 H TYR 70 H TYR 70 4.691 10.052 -1.834 473 HA TYR 70 HA TYR 70 4.140 9.728 -4.666 474 HB2 TYR 70 1HB TYR 70 4.868 7.344 -2.952 475 HB3 TYR 70 2HB TYR 70 4.354 7.298 -4.635 476 HD1 TYR 70 1HD TYR 70 7.044 8.580 -2.409 477 HD2 TYR 70 2HD TYR 70 5.930 7.454 -6.358 478 HE1 TYR 70 1HE TYR 70 9.389 8.785 -3.122 479 HE2 TYR 70 2HE TYR 70 8.272 7.654 -7.082 480 HH TYR 70 HH TYR 70 10.394 9.157 -6.050 481 H THR 71 H THR 71 2.169 8.464 -5.054 482 HA THR 71 HA THR 71 0.394 8.324 -2.713 483 HB THR 71 HB THR 71 -0.357 9.505 -5.394 484 HG1 THR 71 1HG THR 71 -0.120 11.413 -4.448 485 HG21 THR 71 1HG2 THR 71 -2.524 9.426 -4.794 486 HG22 THR 71 2HG2 THR 71 -2.171 9.830 -3.114 487 HG23 THR 71 3HG2 THR 71 -2.007 8.166 -3.675 488 H VAL 72 H VAL 72 -0.883 6.562 -2.618 489 HA VAL 72 HA VAL 72 -1.107 4.873 -5.017 490 HB VAL 72 HB VAL 72 -0.465 3.920 -2.224 491 HG11 VAL 72 1HG1 VAL 72 -1.683 2.130 -2.826 492 HG12 VAL 72 2HG1 VAL 72 -1.651 2.556 -4.538 493 HG13 VAL 72 3HG1 VAL 72 -0.276 1.725 -3.808 494 HG21 VAL 72 1HG2 VAL 72 1.353 4.868 -3.801 495 HG22 VAL 72 2HG2 VAL 72 1.639 3.321 -3.004 496 HG23 VAL 72 3HG2 VAL 72 1.134 3.362 -4.693 497 H SER 73 H SER 73 -3.084 4.048 -5.400 498 HA SER 73 HA SER 73 -5.118 4.310 -3.286 499 HB2 SER 73 1HB SER 73 -6.726 5.119 -4.843 500 HB3 SER 73 2HB SER 73 -5.264 6.063 -5.129 501 HG SER 73 HG SER 73 -5.028 5.149 -7.031 502 H TYR 74 H TYR 74 -6.700 2.721 -3.196 503 HA TYR 74 HA TYR 74 -6.806 0.612 -5.154 504 HB2 TYR 74 1HB TYR 74 -6.069 -1.190 -3.777 505 HB3 TYR 74 2HB TYR 74 -4.816 0.043 -3.705 506 HD1 TYR 74 1HD TYR 74 -4.565 1.433 -1.666 507 HD2 TYR 74 2HD TYR 74 -7.283 -1.837 -1.825 508 HE1 TYR 74 1HE TYR 74 -4.696 1.430 0.790 509 HE2 TYR 74 2HE TYR 74 -7.422 -1.848 0.630 510 HH TYR 74 HH TYR 74 -5.833 0.629 2.572 511 H LEU 75 H LEU 75 -8.441 -1.044 -4.571 512 HA LEU 75 HA LEU 75 -10.435 -0.020 -2.664 513 HB2 LEU 75 1HB LEU 75 -11.244 0.592 -4.813 514 HB3 LEU 75 2HB LEU 75 -10.868 -0.997 -5.476 515 HG LEU 75 HG LEU 75 -12.638 -1.787 -3.687 516 HD11 LEU 75 1HD1 LEU 75 -12.975 1.132 -3.813 517 HD12 LEU 75 2HD1 LEU 75 -13.430 -0.014 -2.553 518 HD13 LEU 75 3HD1 LEU 75 -14.454 0.186 -3.974 519 HD21 LEU 75 1HD2 LEU 75 -13.836 -0.440 -6.050 520 HD22 LEU 75 2HD2 LEU 75 -14.088 -2.071 -5.427 521 HD23 LEU 75 3HD2 LEU 75 -12.620 -1.687 -6.326 522 HA PRO 76 HA PRO 76 -9.636 -4.315 -1.422 523 HB2 PRO 76 1HB PRO 76 -10.489 -3.950 1.129 524 HB3 PRO 76 2HB PRO 76 -8.864 -3.512 0.587 525 HG2 PRO 76 1HG PRO 76 -11.269 -1.769 0.964 526 HG3 PRO 76 2HG PRO 76 -9.582 -1.460 1.415 527 HD2 PRO 76 1HD PRO 76 -10.712 -0.408 -0.810 528 HD3 PRO 76 2HD PRO 76 -8.992 -0.840 -0.725 529 H ASP 77 H ASP 77 -11.412 -4.896 -2.876 530 HA ASP 77 HA ASP 77 -14.113 -4.609 -2.372 531 HB2 ASP 77 1HB ASP 77 -12.809 -5.724 -4.368 532 HB3 ASP 77 2HB ASP 77 -13.100 -7.206 -3.463 533 H MET 78 H MET 78 -12.078 -7.396 -1.460 534 HA MET 78 HA MET 78 -14.147 -8.476 0.225 535 HB2 MET 78 1HB MET 78 -11.260 -9.287 -0.150 536 HB3 MET 78 2HB MET 78 -12.437 -10.186 0.798 537 HG2 MET 78 1HG MET 78 -12.503 -11.328 -1.178 538 HG3 MET 78 2HG MET 78 -13.808 -10.169 -1.418 539 HE1 MET 78 1HE MET 78 -11.786 -11.846 -3.763 540 HE2 MET 78 2HE MET 78 -13.420 -11.189 -3.863 541 HE3 MET 78 3HE MET 78 -12.169 -10.614 -4.966 542 H SER 79 H SER 79 -13.652 -9.066 2.522 543 HA SER 79 HA SER 79 -12.296 -6.812 3.849 544 HB2 SER 79 1HB SER 79 -13.809 -7.269 5.773 545 HB3 SER 79 2HB SER 79 -14.683 -6.827 4.306 546 HG SER 79 HG SER 79 -15.740 -8.591 4.925 547 H GLY 80 H GLY 80 -11.049 -7.217 5.717 548 HA2 GLY 80 1HA GLY 80 -10.458 -9.150 7.305 549 HA3 GLY 80 2HA GLY 80 -10.003 -9.969 5.819 550 H ARG 81 H ARG 81 -7.900 -10.139 6.906 551 HA ARG 81 HA ARG 81 -6.365 -7.712 7.229 552 HB2 ARG 81 1HB ARG 81 -6.189 -9.914 8.602 553 HB3 ARG 81 2HB ARG 81 -5.198 -10.477 7.262 554 HG2 ARG 81 1HG ARG 81 -3.754 -8.453 7.611 555 HG3 ARG 81 2HG ARG 81 -4.666 -8.153 9.091 556 HD2 ARG 81 1HD ARG 81 -2.723 -9.341 9.733 557 HD3 ARG 81 2HD ARG 81 -4.056 -10.493 9.802 558 HE ARG 81 HE ARG 81 -2.777 -10.590 7.276 559 HH11 ARG 81 1HH1 ARG 81 -2.379 -11.540 10.601 560 HH12 ARG 81 2HH1 ARG 81 -1.367 -12.896 10.228 561 HH21 ARG 81 1HH2 ARG 81 -1.446 -12.373 6.772 562 HH22 ARG 81 2HH2 ARG 81 -0.836 -13.368 8.050 563 H TYR 82 H TYR 82 -5.654 -6.692 5.476 564 HA TYR 82 HA TYR 82 -4.990 -8.196 3.069 565 HB2 TYR 82 1HB TYR 82 -5.503 -5.319 3.695 566 HB3 TYR 82 2HB TYR 82 -4.548 -5.715 2.271 567 HD1 TYR 82 2HD TYR 82 -7.851 -6.137 3.871 568 HD2 TYR 82 1HD TYR 82 -5.572 -6.578 0.305 569 HE1 TYR 82 2HE TYR 82 -9.921 -6.541 2.605 570 HE2 TYR 82 1HE TYR 82 -7.636 -6.982 -0.971 571 HH TYR 82 HH TYR 82 -9.960 -7.806 -0.500 572 H THR 83 H THR 83 -2.977 -8.294 2.151 573 HA THR 83 HA THR 83 -0.751 -7.479 3.889 574 HB THR 83 HB THR 83 -0.720 -9.503 1.642 575 HG1 THR 83 1HG THR 83 -0.493 -10.194 4.357 576 HG21 THR 83 1HG2 THR 83 1.485 -8.771 1.908 577 HG22 THR 83 2HG2 THR 83 1.397 -10.201 2.937 578 HG23 THR 83 3HG2 THR 83 1.313 -8.592 3.654 579 H ILE 84 H ILE 84 -0.194 -5.453 3.278 580 HA ILE 84 HA ILE 84 0.089 -4.846 0.431 581 HB ILE 84 HB ILE 84 0.375 -2.987 2.793 582 HG12 ILE 84 1HG1 ILE 84 -1.974 -3.326 0.918 583 HG13 ILE 84 2HG1 ILE 84 -1.905 -3.974 2.553 584 HG21 ILE 84 1HG2 ILE 84 0.142 -2.460 -0.166 585 HG22 ILE 84 2HG2 ILE 84 0.096 -1.221 1.087 586 HG23 ILE 84 3HG2 ILE 84 1.556 -2.180 0.850 587 HD11 ILE 84 1HD1 ILE 84 -1.791 -1.063 1.802 588 HD12 ILE 84 2HD1 ILE 84 -3.181 -1.914 2.476 589 HD13 ILE 84 3HD1 ILE 84 -1.719 -1.710 3.440 590 H THR 85 H THR 85 1.988 -5.255 -0.472 591 HA THR 85 HA THR 85 4.419 -5.094 1.169 592 HB THR 85 HB THR 85 4.026 -6.405 -1.528 593 HG1 THR 85 1HG THR 85 3.281 -7.984 -0.341 594 HG21 THR 85 1HG2 THR 85 6.292 -7.432 -0.268 595 HG22 THR 85 2HG2 THR 85 6.393 -5.687 -0.029 596 HG23 THR 85 3HG2 THR 85 6.254 -6.347 -1.658 597 H ILE 86 H ILE 86 5.515 -3.257 1.020 598 HA ILE 86 HA ILE 86 5.496 -1.807 -1.545 599 HB ILE 86 HB ILE 86 5.946 -0.718 1.236 600 HG12 ILE 86 1HG1 ILE 86 3.690 -0.157 -0.695 601 HG13 ILE 86 2HG1 ILE 86 3.585 -1.336 0.607 602 HG21 ILE 86 1HG2 ILE 86 5.926 1.492 0.103 603 HG22 ILE 86 2HG2 ILE 86 7.312 0.491 -0.324 604 HG23 ILE 86 3HG2 ILE 86 5.962 0.653 -1.447 605 HD11 ILE 86 1HD1 ILE 86 3.060 1.429 0.701 606 HD12 ILE 86 2HD1 ILE 86 2.999 0.257 2.017 607 HD13 ILE 86 3HD1 ILE 86 4.492 1.133 1.686 608 H LYS 87 H LYS 87 7.342 -1.721 -2.630 609 HA LYS 87 HA LYS 87 9.872 -1.983 -1.151 610 HB2 LYS 87 1HB LYS 87 9.026 -3.408 -3.669 611 HB3 LYS 87 2HB LYS 87 10.717 -3.232 -3.217 612 HG2 LYS 87 1HG LYS 87 9.881 -4.259 -0.948 613 HG3 LYS 87 2HG LYS 87 8.578 -4.875 -1.967 614 HD2 LYS 87 1HD LYS 87 10.407 -5.734 -3.514 615 HD3 LYS 87 2HD LYS 87 11.533 -5.388 -2.200 616 HE2 LYS 87 1HE LYS 87 10.080 -6.824 -0.729 617 HE3 LYS 87 2HE LYS 87 9.209 -7.303 -2.185 618 HZ1 LYS 87 1HZ LYS 87 10.741 -8.858 -2.469 619 HZ2 LYS 87 2HZ LYS 87 11.676 -8.270 -1.189 620 HZ3 LYS 87 3HZ LYS 87 11.890 -7.648 -2.748 621 H TYR 88 H TYR 88 11.376 -0.504 -1.638 622 HA TYR 88 HA TYR 88 10.791 1.352 -3.835 623 HB2 TYR 88 1HB TYR 88 11.078 2.166 -1.429 624 HB3 TYR 88 2HB TYR 88 12.787 1.790 -1.618 625 HD1 TYR 88 1HD TYR 88 10.034 3.837 -3.045 626 HD2 TYR 88 2HD TYR 88 14.238 3.318 -2.650 627 HE1 TYR 88 1HE TYR 88 10.396 6.040 -4.077 628 HE2 TYR 88 2HE TYR 88 14.612 5.520 -3.680 629 HH TYR 88 HH TYR 88 13.483 7.096 -5.115 630 H GLY 89 H GLY 89 11.989 1.319 -5.617 631 HA2 GLY 89 1HA GLY 89 13.561 0.446 -7.096 632 HA3 GLY 89 2HA GLY 89 14.629 1.328 -6.014 633 H GLY 90 H GLY 90 12.797 -1.548 -5.138 634 HA2 GLY 90 1HA GLY 90 13.542 -3.760 -4.931 635 HA3 GLY 90 2HA GLY 90 15.157 -3.234 -5.382 636 H ASP 91 H ASP 91 13.047 -2.011 -2.810 637 HA ASP 91 HA ASP 91 14.680 -3.256 -0.765 638 HB2 ASP 91 1HB ASP 91 15.770 -1.029 -1.513 639 HB3 ASP 91 2HB ASP 91 14.427 -0.261 -0.670 640 H GLU 92 H GLU 92 13.079 -4.173 0.359 641 HA GLU 92 HA GLU 92 10.475 -3.092 0.612 642 HB2 GLU 92 1HB GLU 92 11.299 -5.542 0.877 643 HB3 GLU 92 2HB GLU 92 11.619 -5.085 2.544 644 HG2 GLU 92 1HG GLU 92 9.218 -4.341 2.679 645 HG3 GLU 92 2HG GLU 92 8.978 -5.117 1.115 646 H ILE 93 H ILE 93 9.610 -1.738 2.063 647 HA ILE 93 HA ILE 93 11.268 -0.208 3.768 648 HB ILE 93 HB ILE 93 9.137 0.745 4.641 649 HG12 ILE 93 1HG1 ILE 93 7.793 -1.061 2.626 650 HG13 ILE 93 2HG1 ILE 93 7.852 -1.417 4.349 651 HG21 ILE 93 1HG2 ILE 93 8.737 0.760 1.721 652 HG22 ILE 93 2HG2 ILE 93 8.957 2.100 2.846 653 HG23 ILE 93 3HG2 ILE 93 10.355 1.184 2.281 654 HD11 ILE 93 1HD1 ILE 93 5.803 -0.418 4.154 655 HD12 ILE 93 2HD1 ILE 93 6.815 0.964 4.576 656 HD13 ILE 93 3HD1 ILE 93 6.344 0.696 2.898 657 HA PRO 94 HA PRO 94 11.341 -2.531 7.496 658 HB2 PRO 94 1HB PRO 94 11.492 -0.528 9.323 659 HB3 PRO 94 2HB PRO 94 12.844 -0.980 8.278 660 HG2 PRO 94 1HG PRO 94 10.886 1.264 7.977 661 HG3 PRO 94 2HG PRO 94 12.641 1.271 7.728 662 HD2 PRO 94 1HD PRO 94 10.880 1.113 5.678 663 HD3 PRO 94 2HD PRO 94 12.474 0.333 5.630 664 H TYR 95 H TYR 95 8.696 -0.845 6.509 665 HA TYR 95 HA TYR 95 7.187 -1.349 8.983 666 HB2 TYR 95 1HB TYR 95 6.461 0.378 6.607 667 HB3 TYR 95 2HB TYR 95 5.487 0.174 8.059 668 HD1 TYR 95 1HD TYR 95 8.885 1.278 6.979 669 HD2 TYR 95 2HD TYR 95 5.734 1.676 9.810 670 HE1 TYR 95 1HE TYR 95 10.077 3.153 8.032 671 HE2 TYR 95 2HE TYR 95 6.918 3.553 10.871 672 HH TYR 95 HH TYR 95 8.867 4.675 10.981 673 H SER 96 H SER 96 7.748 -2.540 5.877 674 HA SER 96 HA SER 96 5.127 -3.809 5.650 675 HB2 SER 96 1HB SER 96 5.651 -3.186 3.515 676 HB3 SER 96 2HB SER 96 7.389 -3.284 3.801 677 HG SER 96 HG SER 96 7.355 -5.413 3.400 678 HA PRO 97 HA PRO 97 4.513 -5.620 4.228 679 HB2 PRO 97 1HB PRO 97 2.861 -7.547 5.190 680 HB3 PRO 97 2HB PRO 97 4.153 -7.880 4.031 681 HG2 PRO 97 1HG PRO 97 4.125 -8.267 6.999 682 HG3 PRO 97 2HG PRO 97 4.751 -9.343 5.737 683 HD2 PRO 97 1HD PRO 97 6.357 -7.738 7.213 684 HD3 PRO 97 2HD PRO 97 6.716 -8.157 5.525 685 H PHE 98 H PHE 98 2.703 -4.396 4.502 686 HA PHE 98 HA PHE 98 2.202 -3.367 7.163 687 HB2 PHE 98 1HB PHE 98 1.530 -2.551 4.390 688 HB3 PHE 98 2HB PHE 98 0.398 -2.067 5.648 689 HD1 PHE 98 2HD PHE 98 1.847 -1.265 7.882 690 HD2 PHE 98 1HD PHE 98 2.966 -0.880 3.794 691 HE1 PHE 98 2HE PHE 98 3.304 0.630 8.464 692 HE2 PHE 98 1HE PHE 98 4.426 1.016 4.369 693 HZ PHE 98 HZ PHE 98 4.595 1.774 6.706 694 H ARG 99 H ARG 99 0.960 -4.588 8.439 695 HA ARG 99 HA ARG 99 -1.150 -6.241 7.388 696 HB2 ARG 99 1HB ARG 99 -1.571 -6.624 9.901 697 HB3 ARG 99 2HB ARG 99 -0.062 -7.212 9.214 698 HG2 ARG 99 1HG ARG 99 1.174 -5.440 10.171 699 HG3 ARG 99 2HG ARG 99 -0.292 -4.555 10.597 700 HD2 ARG 99 1HD ARG 99 -0.883 -6.514 12.083 701 HD3 ARG 99 2HD ARG 99 0.754 -7.105 11.804 702 HE ARG 99 HE ARG 99 -0.021 -5.031 13.578 703 HH11 ARG 99 1HH1 ARG 99 2.517 -6.004 11.403 704 HH12 ARG 99 2HH1 ARG 99 3.752 -5.125 12.243 705 HH21 ARG 99 1HH2 ARG 99 1.595 -3.869 14.692 706 HH22 ARG 99 2HH2 ARG 99 3.226 -3.911 14.114 707 H ILE 100 H ILE 100 -2.872 -5.150 6.626 708 HA ILE 100 HA ILE 100 -4.082 -3.106 8.370 709 HB ILE 100 HB ILE 100 -4.558 -3.428 5.409 710 HG12 ILE 100 1HG1 ILE 100 -2.186 -2.862 5.901 711 HG13 ILE 100 2HG1 ILE 100 -3.035 -1.574 5.054 712 HG21 ILE 100 1HG2 ILE 100 -6.363 -2.288 6.433 713 HG22 ILE 100 2HG2 ILE 100 -5.277 -1.310 7.419 714 HG23 ILE 100 3HG2 ILE 100 -5.359 -1.052 5.677 715 HD11 ILE 100 1HD1 ILE 100 -2.662 -0.133 6.697 716 HD12 ILE 100 2HD1 ILE 100 -3.190 -1.278 7.930 717 HD13 ILE 100 3HD1 ILE 100 -1.528 -1.319 7.342 718 H HIS 101 H HIS 101 -6.272 -3.181 8.810 719 HA HIS 101 HA HIS 101 -7.613 -5.705 8.094 720 HB2 HIS 101 1HB HIS 101 -7.006 -5.122 10.571 721 HB3 HIS 101 2HB HIS 101 -8.407 -4.060 10.472 722 HD1 HIS 101 1HD HIS 101 -7.624 -7.242 11.653 723 HD2 HIS 101 2HD HIS 101 -10.700 -5.784 9.272 724 HE1 HIS 101 1HE HIS 101 -9.472 -8.939 11.828 725 HE2 HIS 101 2HE HIS 101 -11.289 -8.078 10.312 726 H ALA 102 H ALA 102 -9.397 -5.573 6.906 727 HA ALA 102 HA ALA 102 -10.601 -2.932 6.483 728 HB1 ALA 102 1HB ALA 102 -11.558 -5.113 4.794 729 HB2 ALA 102 2HB ALA 102 -10.943 -3.519 4.353 730 HB3 ALA 102 3HB ALA 102 -9.819 -4.838 4.681 731 H LEU 103 H LEU 103 -12.377 -2.465 7.586 732 HA LEU 103 HA LEU 103 -14.002 -4.610 8.706 733 HB2 LEU 103 1HB LEU 103 -14.350 -1.646 9.085 734 HB3 LEU 103 2HB LEU 103 -15.009 -2.943 10.078 735 HG LEU 103 HG LEU 103 -12.048 -2.521 9.852 736 HD11 LEU 103 1HD1 LEU 103 -13.760 -0.560 10.778 737 HD12 LEU 103 2HD1 LEU 103 -12.044 -0.716 11.152 738 HD13 LEU 103 3HD1 LEU 103 -13.250 -1.403 12.241 739 HD21 LEU 103 1HD2 LEU 103 -13.925 -4.014 11.613 740 HD22 LEU 103 2HD2 LEU 103 -12.423 -3.402 12.307 741 HD23 LEU 103 3HD2 LEU 103 -12.374 -4.509 10.934 742 HA PRO 104 HA PRO 104 -17.159 -4.320 5.652 743 HB2 PRO 104 1HB PRO 104 -19.246 -5.283 7.096 744 HB3 PRO 104 2HB PRO 104 -17.942 -6.311 6.489 745 HG2 PRO 104 1HG PRO 104 -18.328 -5.160 9.225 746 HG3 PRO 104 2HG PRO 104 -17.812 -6.792 8.760 747 HD2 PRO 104 1HD PRO 104 -16.065 -4.884 9.561 748 HD3 PRO 104 2HD PRO 104 -15.639 -6.129 8.370 749 H THR 105 H THR 105 -17.477 -2.141 5.284 750 HA THR 105 HA THR 105 -18.340 -0.135 6.857 751 HB THR 105 HB THR 105 -19.659 0.723 4.816 752 HG1 THR 105 1HG THR 105 -18.821 -1.808 3.970 753 HG21 THR 105 1HG2 THR 105 -17.531 1.083 3.525 754 HG22 THR 105 2HG2 THR 105 -16.732 0.007 4.671 755 HG23 THR 105 3HG2 THR 105 -17.445 1.520 5.231 756 H GLY 106 H GLY 106 -20.237 -2.857 5.832 757 HA2 GLY 106 1HA GLY 106 -22.130 -2.873 7.734 758 HA3 GLY 106 2HA GLY 106 -22.755 -1.655 6.632 759 H ASP 107 H ASP 107 -24.072 -2.343 5.087 760 HA ASP 107 HA ASP 107 -24.951 -4.937 4.811 761 HB2 ASP 107 1HB ASP 107 -25.889 -4.233 2.628 762 HB3 ASP 107 2HB ASP 107 -26.193 -3.056 3.903 763 H ALA 108 H ALA 108 -24.859 -6.104 2.545 764 HA ALA 108 HA ALA 108 -22.006 -6.426 1.870 765 HB1 ALA 108 1HB ALA 108 -24.138 -8.554 1.742 766 HB2 ALA 108 2HB ALA 108 -22.405 -8.763 1.484 767 HB3 ALA 108 3HB ALA 108 -23.013 -8.343 3.085 768 H SER 109 H SER 109 -21.924 -5.096 0.091 769 HA SER 109 HA SER 109 -22.918 -6.173 -2.360 770 HB2 SER 109 1HB SER 109 -24.299 -4.257 -3.032 771 HB3 SER 109 2HB SER 109 -24.959 -5.030 -1.591 772 HG SER 109 HG SER 109 -23.307 -2.720 -1.594 773 H SER 110 H SER 110 -22.380 -4.639 -4.229 774 HA SER 110 HA SER 110 -19.656 -4.038 -4.160 775 HB2 SER 110 1HB SER 110 -21.855 -3.191 -6.045 776 HB3 SER 110 2HB SER 110 -20.170 -2.737 -6.302 777 HG SER 110 HG SER 110 -21.255 -4.908 -7.118 778 H GLY 111 H GLY 111 -18.486 -2.164 -3.924 779 HA2 GLY 111 1HA GLY 111 -19.736 -0.100 -2.335 780 HA3 GLY 111 2HA GLY 111 -18.033 -0.209 -2.755 781 HA PRO 112 HA PRO 112 -18.644 3.142 -5.529 782 HB2 PRO 112 1HB PRO 112 -16.504 2.761 -7.155 783 HB3 PRO 112 2HB PRO 112 -16.359 3.383 -5.507 784 HG2 PRO 112 1HG PRO 112 -15.924 0.603 -6.527 785 HG3 PRO 112 2HG PRO 112 -14.958 1.532 -5.366 786 HD2 PRO 112 1HD PRO 112 -16.733 -0.363 -4.598 787 HD3 PRO 112 2HD PRO 112 -16.392 1.079 -3.619 788 H SER 113 H SER 113 -18.647 3.575 -7.965 789 HA SER 113 HA SER 113 -20.550 1.893 -9.185 790 HB2 SER 113 1HB SER 113 -18.848 4.156 -10.218 791 HB3 SER 113 2HB SER 113 -19.964 3.283 -11.268 792 HG SER 113 HG SER 113 -21.097 4.984 -10.456 793 H SER 114 H SER 114 -20.395 0.464 -10.911 794 HA SER 114 HA SER 114 -17.728 -0.710 -11.273 795 HB2 SER 114 1HB SER 114 -19.676 -2.117 -10.426 796 HB3 SER 114 2HB SER 114 -20.365 -1.967 -12.042 797 HG SER 114 HG SER 114 -18.684 -3.105 -12.872 798 H GLY 115 H GLY 115 -17.138 -1.505 -13.411 799 HA2 GLY 115 1HA GLY 115 -18.135 -1.346 -15.822 800 HA3 GLY 115 2HA GLY 115 -18.030 0.374 -15.479 Start of MODEL 3 1 H1 GLY 1 H GLY 1 10.421 -3.430 -13.013 2 HA2 GLY 1 1HA GLY 1 12.178 -5.241 -12.189 3 HA3 GLY 1 2HA GLY 1 11.466 -6.100 -13.547 4 H SER 2 H SER 2 14.024 -4.278 -12.671 5 HA SER 2 HA SER 2 14.838 -3.838 -15.376 6 HB2 SER 2 1HB SER 2 13.312 -1.842 -14.750 7 HB3 SER 2 2HB SER 2 14.655 -1.324 -13.730 8 HG SER 2 HG SER 2 14.588 -0.503 -15.971 9 H SER 3 H SER 3 16.954 -4.184 -15.442 10 HA SER 3 HA SER 3 18.539 -4.818 -13.301 11 HB2 SER 3 1HB SER 3 20.461 -4.549 -14.772 12 HB3 SER 3 2HB SER 3 19.120 -5.253 -15.677 13 HG SER 3 HG SER 3 20.217 -2.674 -15.824 14 H GLY 4 H GLY 4 20.582 -3.642 -12.600 15 HA2 GLY 4 1HA GLY 4 20.812 -0.851 -12.695 16 HA3 GLY 4 2HA GLY 4 19.864 -1.265 -11.274 17 H SER 5 H SER 5 22.634 -0.126 -11.689 18 HA SER 5 HA SER 5 24.191 -2.166 -10.255 19 HB2 SER 5 1HB SER 5 24.990 0.218 -11.915 20 HB3 SER 5 2HB SER 5 26.129 -0.561 -10.817 21 HG SER 5 HG SER 5 25.227 -2.554 -12.063 22 H SER 6 H SER 6 23.818 1.384 -10.261 23 HA SER 6 HA SER 6 24.857 1.728 -7.657 24 HB2 SER 6 1HB SER 6 23.006 3.573 -9.184 25 HB3 SER 6 2HB SER 6 24.035 4.018 -7.823 26 HG SER 6 HG SER 6 24.680 3.614 -10.476 27 H GLY 7 H GLY 7 23.962 1.003 -5.847 28 HA2 GLY 7 1HA GLY 7 21.015 1.083 -5.626 29 HA3 GLY 7 2HA GLY 7 22.002 -0.177 -4.900 30 H ALA 8 H ALA 8 21.760 3.381 -4.904 31 HA ALA 8 HA ALA 8 22.517 3.371 -2.069 32 HB1 ALA 8 1HB ALA 8 23.645 5.236 -2.495 33 HB2 ALA 8 2HB ALA 8 23.271 5.006 -4.203 34 HB3 ALA 8 3HB ALA 8 22.221 6.004 -3.197 35 H HIS 9 H HIS 9 19.949 2.454 -2.643 36 HA HIS 9 HA HIS 9 18.191 4.700 -1.948 37 HB2 HIS 9 1HB HIS 9 16.339 3.137 -2.509 38 HB3 HIS 9 2HB HIS 9 17.436 3.418 -3.859 39 HD1 HIS 9 1HD HIS 9 18.610 1.412 -4.837 40 HD2 HIS 9 2HD HIS 9 16.598 0.543 -1.307 41 HE1 HIS 9 1HE HIS 9 18.674 -1.093 -4.625 42 HE2 HIS 9 2HE HIS 9 17.377 -1.600 -2.527 43 H ASP 10 H ASP 10 17.046 4.760 -0.068 44 HA ASP 10 HA ASP 10 17.509 2.564 1.842 45 HB2 ASP 10 1HB ASP 10 17.800 5.513 2.169 46 HB3 ASP 10 2HB ASP 10 17.196 4.587 3.540 47 H ALA 11 H ALA 11 15.581 1.527 1.712 48 HA ALA 11 HA ALA 11 13.072 2.734 1.373 49 HB1 ALA 11 1HB ALA 11 12.272 0.636 1.384 50 HB2 ALA 11 2HB ALA 11 13.975 0.176 1.375 51 HB3 ALA 11 3HB ALA 11 13.083 0.225 2.896 52 H SER 12 H SER 12 15.019 2.200 4.210 53 HA SER 12 HA SER 12 13.024 2.437 6.177 54 HB2 SER 12 1HB SER 12 14.836 2.878 7.730 55 HB3 SER 12 2HB SER 12 15.343 1.625 6.598 56 HG SER 12 HG SER 12 16.316 3.434 5.382 57 H LYS 13 H LYS 13 14.294 4.721 4.020 58 HA LYS 13 HA LYS 13 13.670 7.012 5.709 59 HB2 LYS 13 1HB LYS 13 14.727 6.861 2.880 60 HB3 LYS 13 2HB LYS 13 14.502 8.347 3.793 61 HG2 LYS 13 1HG LYS 13 16.197 6.194 4.954 62 HG3 LYS 13 2HG LYS 13 16.845 7.189 3.648 63 HD2 LYS 13 1HD LYS 13 16.321 9.209 4.958 64 HD3 LYS 13 2HD LYS 13 15.733 8.187 6.271 65 HE2 LYS 13 1HE LYS 13 17.871 8.549 6.988 66 HE3 LYS 13 2HE LYS 13 18.121 7.094 6.024 67 HZ1 LYS 13 1HZ LYS 13 19.666 9.122 5.701 68 HZ2 LYS 13 2HZ LYS 13 18.397 9.741 4.769 69 HZ3 LYS 13 3HZ LYS 13 19.123 8.273 4.342 70 H VAL 14 H VAL 14 11.744 4.982 4.313 71 HA VAL 14 HA VAL 14 10.079 6.907 2.858 72 HB VAL 14 HB VAL 14 9.761 3.914 3.125 73 HG11 VAL 14 1HG1 VAL 14 8.406 4.972 0.875 74 HG12 VAL 14 2HG1 VAL 14 7.720 4.181 2.296 75 HG13 VAL 14 3HG1 VAL 14 7.941 5.931 2.280 76 HG21 VAL 14 1HG2 VAL 14 10.440 3.940 0.708 77 HG22 VAL 14 2HG2 VAL 14 10.911 5.626 0.928 78 HG23 VAL 14 3HG2 VAL 14 11.722 4.357 1.845 79 H ARG 15 H ARG 15 8.312 7.770 3.733 80 HA ARG 15 HA ARG 15 7.396 6.721 6.321 81 HB2 ARG 15 1HB ARG 15 7.500 9.433 5.106 82 HB3 ARG 15 2HB ARG 15 6.158 9.086 6.189 83 HG2 ARG 15 1HG ARG 15 8.901 8.401 7.097 84 HG3 ARG 15 2HG ARG 15 8.426 10.100 7.065 85 HD2 ARG 15 1HD ARG 15 6.698 8.015 8.355 86 HD3 ARG 15 2HD ARG 15 8.036 8.762 9.226 87 HE ARG 15 HE ARG 15 5.505 9.947 8.611 88 HH11 ARG 15 1HH1 ARG 15 8.871 10.609 9.204 89 HH12 ARG 15 2HH1 ARG 15 8.591 12.230 9.748 90 HH21 ARG 15 1HH2 ARG 15 5.123 12.079 9.326 91 HH22 ARG 15 2HH2 ARG 15 6.458 13.065 9.818 92 H ALA 16 H ALA 16 5.500 5.722 6.443 93 HA ALA 16 HA ALA 16 3.627 5.996 4.188 94 HB1 ALA 16 1HB ALA 16 3.685 3.776 4.145 95 HB2 ALA 16 2HB ALA 16 4.615 3.714 5.643 96 HB3 ALA 16 3HB ALA 16 2.854 3.785 5.701 97 H SER 17 H SER 17 1.884 7.180 4.569 98 HA SER 17 HA SER 17 0.457 6.917 7.085 99 HB2 SER 17 1HB SER 17 0.538 9.170 7.736 100 HB3 SER 17 2HB SER 17 2.197 8.829 7.244 101 HG SER 17 HG SER 17 1.122 10.819 6.405 102 H GLY 18 H GLY 18 -1.717 7.607 6.980 103 HA2 GLY 18 1HA GLY 18 -3.273 8.977 5.461 104 HA3 GLY 18 2HA GLY 18 -2.696 7.881 4.215 105 HA PRO 19 HA PRO 19 -6.539 6.177 6.320 106 HB2 PRO 19 1HB PRO 19 -8.096 6.114 4.097 107 HB3 PRO 19 2HB PRO 19 -8.003 7.519 5.165 108 HG2 PRO 19 1HG PRO 19 -6.609 7.022 2.562 109 HG3 PRO 19 2HG PRO 19 -7.392 8.502 3.147 110 HD2 PRO 19 1HD PRO 19 -4.709 8.144 3.225 111 HD3 PRO 19 2HD PRO 19 -5.581 9.097 4.443 112 H GLY 20 H GLY 20 -5.230 5.519 3.075 113 HA2 GLY 20 1HA GLY 20 -6.132 2.893 2.802 114 HA3 GLY 20 2HA GLY 20 -4.696 3.547 2.029 115 H LEU 21 H LEU 21 -3.372 4.156 4.559 116 HA LEU 21 HA LEU 21 -2.531 1.423 5.217 117 HB2 LEU 21 1HB LEU 21 -1.139 4.069 5.600 118 HB3 LEU 21 2HB LEU 21 -0.493 2.513 6.116 119 HG LEU 21 HG LEU 21 -1.088 3.242 3.251 120 HD11 LEU 21 1HD1 LEU 21 1.677 2.960 4.302 121 HD12 LEU 21 2HD1 LEU 21 0.815 4.468 4.603 122 HD13 LEU 21 3HD1 LEU 21 1.071 3.914 2.949 123 HD21 LEU 21 1HD2 LEU 21 0.323 1.264 2.785 124 HD22 LEU 21 2HD2 LEU 21 -1.169 0.864 3.635 125 HD23 LEU 21 3HD2 LEU 21 0.359 0.917 4.514 126 H ASN 22 H ASN 22 -4.911 2.546 6.364 127 HA ASN 22 HA ASN 22 -4.375 3.477 9.006 128 HB2 ASN 22 1HB ASN 22 -6.514 3.804 7.617 129 HB3 ASN 22 2HB ASN 22 -6.944 2.174 8.124 130 HD21 ASN 22 1HD2 ASN 22 -7.979 1.948 9.978 131 HD22 ASN 22 2HD2 ASN 22 -8.126 3.156 11.204 132 H ALA 23 H ALA 23 -3.645 2.310 10.645 133 HA ALA 23 HA ALA 23 -3.593 -0.565 10.530 134 HB1 ALA 23 1HB ALA 23 -1.874 1.148 11.573 135 HB2 ALA 23 2HB ALA 23 -2.860 0.892 13.013 136 HB3 ALA 23 3HB ALA 23 -2.073 -0.478 12.229 137 H SER 24 H SER 24 -5.438 1.896 12.208 138 HA SER 24 HA SER 24 -6.629 0.221 14.148 139 HB2 SER 24 1HB SER 24 -7.446 2.870 12.955 140 HB3 SER 24 2HB SER 24 -8.397 2.066 14.205 141 HG SER 24 HG SER 24 -5.648 2.732 14.450 142 H GLY 25 H GLY 25 -7.139 0.570 10.782 143 HA2 GLY 25 1HA GLY 25 -8.463 -1.422 9.934 144 HA3 GLY 25 2HA GLY 25 -9.735 -0.821 10.988 145 H ILE 26 H ILE 26 -9.082 -1.077 7.904 146 HA ILE 26 HA ILE 26 -9.899 1.646 7.161 147 HB ILE 26 HB ILE 26 -9.246 1.083 4.882 148 HG12 ILE 26 1HG1 ILE 26 -8.137 -1.535 5.853 149 HG13 ILE 26 2HG1 ILE 26 -9.803 -1.427 5.297 150 HG21 ILE 26 1HG2 ILE 26 -6.795 0.721 5.297 151 HG22 ILE 26 2HG2 ILE 26 -7.527 2.035 6.216 152 HG23 ILE 26 3HG2 ILE 26 -7.191 0.492 7.000 153 HD11 ILE 26 1HD1 ILE 26 -8.688 -2.091 3.401 154 HD12 ILE 26 2HD1 ILE 26 -8.754 -0.341 3.191 155 HD13 ILE 26 3HD1 ILE 26 -7.270 -1.105 3.760 156 HA PRO 27 HA PRO 27 -13.992 0.328 6.229 157 HB2 PRO 27 1HB PRO 27 -14.654 2.202 4.379 158 HB3 PRO 27 2HB PRO 27 -14.525 2.559 6.105 159 HG2 PRO 27 1HG PRO 27 -12.542 3.047 3.917 160 HG3 PRO 27 2HG PRO 27 -13.013 4.109 5.256 161 HD2 PRO 27 1HD PRO 27 -10.739 2.639 5.293 162 HD3 PRO 27 2HD PRO 27 -11.656 3.016 6.766 163 H ALA 28 H ALA 28 -14.288 -1.517 5.136 164 HA ALA 28 HA ALA 28 -13.059 -2.082 2.628 165 HB1 ALA 28 1HB ALA 28 -13.557 -4.169 3.191 166 HB2 ALA 28 2HB ALA 28 -14.367 -3.552 4.631 167 HB3 ALA 28 3HB ALA 28 -15.284 -3.811 3.147 168 H SER 29 H SER 29 -14.245 -2.678 0.662 169 HA SER 29 HA SER 29 -15.638 -2.185 -1.068 170 HB2 SER 29 1HB SER 29 -17.506 -1.814 1.265 171 HB3 SER 29 2HB SER 29 -18.040 -1.527 -0.391 172 HG SER 29 HG SER 29 -18.202 -3.598 -0.628 173 H LEU 30 H LEU 30 -13.860 -0.183 -0.173 174 HA LEU 30 HA LEU 30 -15.139 2.134 -1.339 175 HB2 LEU 30 1HB LEU 30 -15.674 2.349 1.047 176 HB3 LEU 30 2HB LEU 30 -13.956 2.263 1.432 177 HG LEU 30 HG LEU 30 -13.878 4.370 -0.183 178 HD11 LEU 30 1HD1 LEU 30 -16.223 4.355 -0.756 179 HD12 LEU 30 2HD1 LEU 30 -15.855 5.789 0.202 180 HD13 LEU 30 3HD1 LEU 30 -16.671 4.415 0.949 181 HD21 LEU 30 1HD2 LEU 30 -13.308 5.435 1.694 182 HD22 LEU 30 2HD2 LEU 30 -13.677 3.923 2.524 183 HD23 LEU 30 3HD2 LEU 30 -14.898 5.191 2.417 184 HA PRO 31 HA PRO 31 -11.071 2.470 -3.018 185 HB2 PRO 31 1HB PRO 31 -11.306 4.958 -4.078 186 HB3 PRO 31 2HB PRO 31 -12.066 3.532 -4.795 187 HG2 PRO 31 1HG PRO 31 -13.266 5.635 -3.035 188 HG3 PRO 31 2HG PRO 31 -13.937 4.880 -4.493 189 HD2 PRO 31 1HD PRO 31 -14.673 4.135 -1.996 190 HD3 PRO 31 2HD PRO 31 -14.618 2.995 -3.355 191 H VAL 32 H VAL 32 -9.575 2.603 -1.409 192 HA VAL 32 HA VAL 32 -9.247 5.207 -0.069 193 HB VAL 32 HB VAL 32 -9.711 3.168 1.372 194 HG11 VAL 32 1HG1 VAL 32 -8.118 1.743 -0.048 195 HG12 VAL 32 2HG1 VAL 32 -6.829 2.482 0.904 196 HG13 VAL 32 3HG1 VAL 32 -8.081 1.530 1.702 197 HG21 VAL 32 1HG2 VAL 32 -7.098 4.563 1.926 198 HG22 VAL 32 2HG2 VAL 32 -8.681 5.305 2.160 199 HG23 VAL 32 3HG2 VAL 32 -8.224 3.886 3.102 200 H GLU 33 H GLU 33 -7.225 6.159 0.028 201 HA GLU 33 HA GLU 33 -5.013 4.836 -1.357 202 HB2 GLU 33 1HB GLU 33 -4.533 6.898 -2.643 203 HB3 GLU 33 2HB GLU 33 -6.062 6.156 -3.090 204 HG2 GLU 33 1HG GLU 33 -6.627 8.375 -2.992 205 HG3 GLU 33 2HG GLU 33 -7.077 7.820 -1.380 206 H PHE 34 H PHE 34 -3.049 5.256 -0.498 207 HA PHE 34 HA PHE 34 -2.979 7.107 1.785 208 HB2 PHE 34 1HB PHE 34 -0.876 5.774 2.379 209 HB3 PHE 34 2HB PHE 34 -2.418 4.940 2.536 210 HD1 PHE 34 1HD PHE 34 -3.140 3.397 0.663 211 HD2 PHE 34 2HD PHE 34 0.817 4.923 1.020 212 HE1 PHE 34 1HE PHE 34 -2.319 1.602 -0.806 213 HE2 PHE 34 2HE PHE 34 1.644 3.131 -0.450 214 HZ PHE 34 HZ PHE 34 0.075 1.468 -1.365 215 H THR 35 H THR 35 -0.490 7.746 2.175 216 HA THR 35 HA THR 35 0.595 8.732 -0.376 217 HB THR 35 HB THR 35 0.294 10.359 2.156 218 HG1 THR 35 1HG THR 35 -1.494 9.966 0.421 219 HG21 THR 35 1HG2 THR 35 1.254 11.478 -0.440 220 HG22 THR 35 2HG2 THR 35 2.395 10.627 0.602 221 HG23 THR 35 3HG2 THR 35 1.539 12.047 1.203 222 H ILE 36 H ILE 36 2.632 8.119 -0.635 223 HA ILE 36 HA ILE 36 4.184 7.301 1.707 224 HB ILE 36 HB ILE 36 4.801 6.891 -1.221 225 HG12 ILE 36 1HG1 ILE 36 2.759 5.700 -0.430 226 HG13 ILE 36 2HG1 ILE 36 4.053 4.611 -0.918 227 HG21 ILE 36 1HG2 ILE 36 6.285 6.394 1.248 228 HG22 ILE 36 2HG2 ILE 36 6.173 4.993 0.183 229 HG23 ILE 36 3HG2 ILE 36 6.855 6.504 -0.417 230 HD11 ILE 36 1HD1 ILE 36 2.948 3.849 1.110 231 HD12 ILE 36 2HD1 ILE 36 4.638 4.250 1.414 232 HD13 ILE 36 3HD1 ILE 36 3.364 5.363 1.913 233 H ASP 37 H ASP 37 4.861 9.274 2.529 234 HA ASP 37 HA ASP 37 6.180 11.211 0.854 235 HB2 ASP 37 1HB ASP 37 6.237 11.170 3.865 236 HB3 ASP 37 2HB ASP 37 6.351 12.559 2.788 237 H ALA 38 H ALA 38 7.990 10.277 -0.034 238 HA ALA 38 HA ALA 38 10.139 9.624 1.872 239 HB1 ALA 38 1HB ALA 38 10.511 8.251 -0.623 240 HB2 ALA 38 2HB ALA 38 10.414 7.596 1.012 241 HB3 ALA 38 3HB ALA 38 8.942 7.842 0.073 242 H ARG 39 H ARG 39 11.732 11.045 1.703 243 HA ARG 39 HA ARG 39 12.065 12.557 -0.773 244 HB2 ARG 39 1HB ARG 39 13.397 12.937 1.915 245 HB3 ARG 39 2HB ARG 39 13.500 14.033 0.543 246 HG2 ARG 39 1HG ARG 39 11.873 15.105 1.674 247 HG3 ARG 39 2HG ARG 39 10.845 13.952 0.821 248 HD2 ARG 39 1HD ARG 39 10.171 13.907 3.092 249 HD3 ARG 39 2HD ARG 39 11.091 12.430 2.810 250 HE ARG 39 HE ARG 39 12.673 13.168 4.294 251 HH11 ARG 39 1HH1 ARG 39 10.597 15.820 3.411 252 HH12 ARG 39 2HH1 ARG 39 11.251 16.898 4.599 253 HH21 ARG 39 1HH2 ARG 39 13.542 14.578 5.862 254 HH22 ARG 39 2HH2 ARG 39 12.926 16.191 5.992 255 H ASP 40 H ASP 40 14.182 10.892 1.568 256 HA ASP 40 HA ASP 40 16.151 10.512 -0.573 257 HB2 ASP 40 1HB ASP 40 16.335 10.463 2.430 258 HB3 ASP 40 2HB ASP 40 17.602 9.757 1.429 259 H ALA 41 H ALA 41 13.776 8.938 -0.557 260 HA ALA 41 HA ALA 41 14.139 6.404 0.620 261 HB1 ALA 41 1HB ALA 41 12.504 7.312 -1.736 262 HB2 ALA 41 2HB ALA 41 12.474 5.658 -1.125 263 HB3 ALA 41 3HB ALA 41 11.959 6.990 -0.090 264 H GLY 42 H GLY 42 15.489 7.865 -2.209 265 HA2 GLY 42 1HA GLY 42 17.618 6.649 -2.854 266 HA3 GLY 42 2HA GLY 42 16.573 5.249 -3.048 267 H GLU 43 H GLU 43 18.040 5.871 -5.168 268 HA GLU 43 HA GLU 43 16.429 7.552 -6.938 269 HB2 GLU 43 1HB GLU 43 19.054 7.550 -6.713 270 HB3 GLU 43 2HB GLU 43 18.940 6.187 -7.817 271 HG2 GLU 43 1HG GLU 43 17.887 7.526 -9.482 272 HG3 GLU 43 2HG GLU 43 17.713 8.876 -8.362 273 H GLY 44 H GLY 44 14.936 5.468 -6.378 274 HA2 GLY 44 1HA GLY 44 15.150 3.774 -8.784 275 HA3 GLY 44 2HA GLY 44 14.778 3.070 -7.218 276 H LEU 45 H LEU 45 12.809 2.253 -8.043 277 HA LEU 45 HA LEU 45 10.726 4.313 -8.350 278 HB2 LEU 45 1HB LEU 45 9.656 3.104 -10.018 279 HB3 LEU 45 2HB LEU 45 11.364 2.965 -10.429 280 HG LEU 45 HG LEU 45 11.116 0.710 -9.041 281 HD11 LEU 45 1HD1 LEU 45 8.993 -0.338 -9.343 282 HD12 LEU 45 2HD1 LEU 45 8.380 1.040 -10.255 283 HD13 LEU 45 3HD1 LEU 45 8.724 1.206 -8.534 284 HD21 LEU 45 1HD2 LEU 45 10.134 -0.073 -11.502 285 HD22 LEU 45 2HD2 LEU 45 11.832 0.139 -11.073 286 HD23 LEU 45 3HD2 LEU 45 10.945 1.457 -11.841 287 H LEU 46 H LEU 46 9.100 4.202 -6.943 288 HA LEU 46 HA LEU 46 9.089 2.243 -4.879 289 HB2 LEU 46 1HB LEU 46 8.359 4.389 -4.273 290 HB3 LEU 46 2HB LEU 46 7.248 4.487 -5.638 291 HG LEU 46 HG LEU 46 6.085 2.474 -4.370 292 HD11 LEU 46 1HD1 LEU 46 6.238 2.619 -1.998 293 HD12 LEU 46 2HD1 LEU 46 7.300 4.023 -2.092 294 HD13 LEU 46 3HD1 LEU 46 7.877 2.444 -2.626 295 HD21 LEU 46 1HD2 LEU 46 5.041 4.540 -2.932 296 HD22 LEU 46 2HD2 LEU 46 4.607 4.143 -4.595 297 HD23 LEU 46 3HD2 LEU 46 5.815 5.388 -4.271 298 H THR 47 H THR 47 7.788 0.502 -4.552 299 HA THR 47 HA THR 47 5.812 -0.129 -6.642 300 HB THR 47 HB THR 47 6.458 -2.484 -6.565 301 HG1 THR 47 1HG THR 47 8.583 -2.868 -5.461 302 HG21 THR 47 1HG2 THR 47 7.539 -1.358 -8.310 303 HG22 THR 47 2HG2 THR 47 8.850 -2.193 -7.476 304 HG23 THR 47 3HG2 THR 47 8.590 -0.470 -7.208 305 H VAL 48 H VAL 48 3.906 -0.962 -5.955 306 HA VAL 48 HA VAL 48 3.663 -1.683 -3.112 307 HB VAL 48 HB VAL 48 1.728 0.035 -4.671 308 HG11 VAL 48 1HG1 VAL 48 0.269 -0.009 -2.860 309 HG12 VAL 48 2HG1 VAL 48 0.808 -1.685 -2.982 310 HG13 VAL 48 3HG1 VAL 48 1.501 -0.621 -1.757 311 HG21 VAL 48 1HG2 VAL 48 3.464 1.450 -4.032 312 HG22 VAL 48 2HG2 VAL 48 2.293 1.629 -2.726 313 HG23 VAL 48 3HG2 VAL 48 3.715 0.610 -2.502 314 H GLN 49 H GLN 49 2.538 -3.495 -2.710 315 HA GLN 49 HA GLN 49 0.826 -4.595 -4.825 316 HB2 GLN 49 1HB GLN 49 2.956 -5.734 -5.045 317 HB3 GLN 49 2HB GLN 49 2.973 -6.102 -3.325 318 HG2 GLN 49 1HG GLN 49 0.922 -7.465 -3.661 319 HG3 GLN 49 2HG GLN 49 1.083 -7.192 -5.395 320 HE21 GLN 49 1HE2 GLN 49 2.502 -8.703 -2.586 321 HE22 GLN 49 2HE2 GLN 49 3.504 -9.816 -3.447 322 H ILE 50 H ILE 50 -1.017 -5.544 -4.125 323 HA ILE 50 HA ILE 50 -1.353 -5.857 -1.214 324 HB ILE 50 HB ILE 50 -3.541 -5.012 -3.109 325 HG12 ILE 50 1HG1 ILE 50 -2.055 -3.238 -1.168 326 HG13 ILE 50 2HG1 ILE 50 -1.661 -3.330 -2.881 327 HG21 ILE 50 1HG2 ILE 50 -4.387 -4.214 -0.727 328 HG22 ILE 50 2HG2 ILE 50 -4.665 -5.852 -1.317 329 HG23 ILE 50 3HG2 ILE 50 -3.343 -5.532 -0.195 330 HD11 ILE 50 1HD1 ILE 50 -3.115 -1.680 -3.158 331 HD12 ILE 50 2HD1 ILE 50 -4.379 -2.873 -2.861 332 HD13 ILE 50 3HD1 ILE 50 -3.772 -1.883 -1.535 333 H LEU 51 H LEU 51 -2.104 -7.768 -0.535 334 HA LEU 51 HA LEU 51 -3.160 -9.628 -2.562 335 HB2 LEU 51 1HB LEU 51 -1.565 -10.232 -0.077 336 HB3 LEU 51 2HB LEU 51 -2.266 -11.444 -1.147 337 HG LEU 51 HG LEU 51 0.031 -9.581 -1.685 338 HD11 LEU 51 1HD1 LEU 51 -0.363 -12.512 -1.371 339 HD12 LEU 51 2HD1 LEU 51 0.929 -11.473 -0.771 340 HD13 LEU 51 3HD1 LEU 51 0.891 -11.939 -2.472 341 HD21 LEU 51 1HD2 LEU 51 0.035 -10.366 -3.986 342 HD22 LEU 51 2HD2 LEU 51 -1.469 -9.520 -3.622 343 HD23 LEU 51 3HD2 LEU 51 -1.443 -11.283 -3.692 344 H ASP 52 H ASP 52 -5.279 -9.861 -2.327 345 HA ASP 52 HA ASP 52 -6.923 -9.084 -0.330 346 HB2 ASP 52 1HB ASP 52 -8.258 -11.305 -1.042 347 HB3 ASP 52 2HB ASP 52 -8.170 -9.874 -2.065 348 HA PRO 53 HA PRO 53 -6.435 -11.558 3.258 349 HB2 PRO 53 1HB PRO 53 -8.994 -12.004 4.046 350 HB3 PRO 53 2HB PRO 53 -8.210 -10.426 4.179 351 HG2 PRO 53 1HG PRO 53 -10.104 -11.429 2.089 352 HG3 PRO 53 2HG PRO 53 -10.062 -9.851 2.896 353 HD2 PRO 53 1HD PRO 53 -9.070 -10.241 0.407 354 HD3 PRO 53 2HD PRO 53 -8.377 -9.060 1.537 355 H GLU 54 H GLU 54 -7.401 -12.886 0.448 356 HA GLU 54 HA GLU 54 -7.989 -15.525 1.601 357 HB2 GLU 54 1HB GLU 54 -8.434 -14.413 -1.171 358 HB3 GLU 54 2HB GLU 54 -8.669 -16.106 -0.757 359 HG2 GLU 54 1HG GLU 54 -10.218 -13.719 0.177 360 HG3 GLU 54 2HG GLU 54 -10.799 -15.153 -0.669 361 H GLY 55 H GLY 55 -5.753 -13.756 -0.426 362 HA2 GLY 55 1HA GLY 55 -3.419 -14.556 -0.311 363 HA3 GLY 55 2HA GLY 55 -4.059 -16.176 -0.544 364 H LYS 56 H LYS 56 -5.064 -13.258 -2.253 365 HA LYS 56 HA LYS 56 -3.811 -14.310 -4.698 366 HB2 LYS 56 1HB LYS 56 -6.555 -13.056 -4.652 367 HB3 LYS 56 2HB LYS 56 -5.771 -13.884 -5.991 368 HG2 LYS 56 1HG LYS 56 -6.422 -15.300 -3.430 369 HG3 LYS 56 2HG LYS 56 -7.603 -15.129 -4.731 370 HD2 LYS 56 1HD LYS 56 -6.360 -16.441 -6.198 371 HD3 LYS 56 2HD LYS 56 -4.865 -16.212 -5.288 372 HE2 LYS 56 1HE LYS 56 -7.176 -17.613 -4.015 373 HE3 LYS 56 2HE LYS 56 -6.154 -18.481 -5.160 374 HZ1 LYS 56 1HZ LYS 56 -4.349 -18.366 -3.778 375 HZ2 LYS 56 2HZ LYS 56 -5.593 -18.492 -2.639 376 HZ3 LYS 56 3HZ LYS 56 -4.896 -16.986 -2.967 377 HA PRO 57 HA PRO 57 -2.304 -10.235 -5.337 378 HB2 PRO 57 1HB PRO 57 -2.202 -10.148 -8.048 379 HB3 PRO 57 2HB PRO 57 -1.073 -11.098 -7.074 380 HG2 PRO 57 1HG PRO 57 -3.525 -11.991 -8.541 381 HG3 PRO 57 2HG PRO 57 -1.935 -12.770 -8.441 382 HD2 PRO 57 1HD PRO 57 -4.048 -13.575 -6.951 383 HD3 PRO 57 2HD PRO 57 -2.373 -13.684 -6.372 384 H LYS 58 H LYS 58 -3.120 -8.222 -5.464 385 HA LYS 58 HA LYS 58 -5.800 -7.913 -6.643 386 HB2 LYS 58 1HB LYS 58 -4.433 -6.375 -4.430 387 HB3 LYS 58 2HB LYS 58 -5.977 -5.914 -5.135 388 HG2 LYS 58 1HG LYS 58 -5.452 -8.556 -3.794 389 HG3 LYS 58 2HG LYS 58 -6.165 -7.153 -2.995 390 HD2 LYS 58 1HD LYS 58 -7.307 -8.474 -5.455 391 HD3 LYS 58 2HD LYS 58 -7.833 -8.819 -3.805 392 HE2 LYS 58 1HE LYS 58 -8.239 -6.295 -3.616 393 HE3 LYS 58 2HE LYS 58 -8.105 -6.272 -5.374 394 HZ1 LYS 58 1HZ LYS 58 -9.986 -8.054 -3.938 395 HZ2 LYS 58 2HZ LYS 58 -9.971 -7.670 -5.585 396 HZ3 LYS 58 3HZ LYS 58 -10.413 -6.498 -4.448 397 H LYS 59 H LYS 59 -6.096 -5.324 -7.011 398 HA LYS 59 HA LYS 59 -3.918 -4.580 -8.851 399 HB2 LYS 59 1HB LYS 59 -6.326 -5.125 -9.707 400 HB3 LYS 59 2HB LYS 59 -6.712 -3.519 -9.101 401 HG2 LYS 59 1HG LYS 59 -4.917 -2.596 -10.534 402 HG3 LYS 59 2HG LYS 59 -4.669 -4.211 -11.201 403 HD2 LYS 59 1HD LYS 59 -7.365 -2.891 -11.244 404 HD3 LYS 59 2HD LYS 59 -6.169 -2.587 -12.506 405 HE2 LYS 59 1HE LYS 59 -6.914 -5.386 -11.742 406 HE3 LYS 59 2HE LYS 59 -7.921 -4.460 -12.854 407 HZ1 LYS 59 1HZ LYS 59 -5.017 -4.929 -13.246 408 HZ2 LYS 59 2HZ LYS 59 -6.092 -4.226 -14.346 409 HZ3 LYS 59 3HZ LYS 59 -6.232 -5.867 -13.958 410 H ALA 60 H ALA 60 -2.777 -2.856 -8.292 411 HA ALA 60 HA ALA 60 -4.086 -0.752 -6.699 412 HB1 ALA 60 1HB ALA 60 -2.016 -0.424 -5.457 413 HB2 ALA 60 2HB ALA 60 -2.612 -2.073 -5.263 414 HB3 ALA 60 3HB ALA 60 -1.261 -1.746 -6.347 415 H ASN 61 H ASN 61 -3.214 1.384 -6.962 416 HA ASN 61 HA ASN 61 -1.791 1.742 -9.518 417 HB2 ASN 61 1HB ASN 61 -3.640 3.817 -8.376 418 HB3 ASN 61 2HB ASN 61 -3.120 3.596 -10.044 419 HD21 ASN 61 1HD2 ASN 61 -5.057 2.156 -7.478 420 HD22 ASN 61 2HD2 ASN 61 -6.196 1.385 -8.524 421 H ILE 62 H ILE 62 -0.268 3.415 -9.661 422 HA ILE 62 HA ILE 62 0.500 4.677 -7.118 423 HB ILE 62 HB ILE 62 2.454 3.497 -9.094 424 HG12 ILE 62 1HG1 ILE 62 2.151 2.488 -6.301 425 HG13 ILE 62 2HG1 ILE 62 0.968 1.979 -7.501 426 HG21 ILE 62 1HG2 ILE 62 4.098 4.518 -7.976 427 HG22 ILE 62 2HG2 ILE 62 2.831 5.554 -7.322 428 HG23 ILE 62 3HG2 ILE 62 3.382 4.150 -6.408 429 HD11 ILE 62 1HD1 ILE 62 3.033 1.346 -8.915 430 HD12 ILE 62 2HD1 ILE 62 3.894 1.414 -7.377 431 HD13 ILE 62 3HD1 ILE 62 2.543 0.300 -7.583 432 H ARG 63 H ARG 63 1.054 6.782 -7.242 433 HA ARG 63 HA ARG 63 1.309 7.963 -9.931 434 HB2 ARG 63 1HB ARG 63 -0.821 8.623 -9.053 435 HB3 ARG 63 2HB ARG 63 -0.114 9.044 -7.499 436 HG2 ARG 63 1HG ARG 63 0.993 10.938 -8.431 437 HG3 ARG 63 2HG ARG 63 0.555 10.453 -10.071 438 HD2 ARG 63 1HD ARG 63 -1.880 10.618 -9.203 439 HD3 ARG 63 2HD ARG 63 -1.176 11.578 -7.902 440 HE ARG 63 HE ARG 63 -0.396 12.458 -10.521 441 HH11 ARG 63 1HH1 ARG 63 -2.839 12.669 -8.050 442 HH12 ARG 63 2HH1 ARG 63 -3.417 14.217 -8.571 443 HH21 ARG 63 1HH2 ARG 63 -1.148 14.496 -11.216 444 HH22 ARG 63 2HH2 ARG 63 -2.455 15.255 -10.372 445 H ASP 64 H ASP 64 2.731 9.719 -10.164 446 HA ASP 64 HA ASP 64 4.815 9.817 -8.101 447 HB2 ASP 64 1HB ASP 64 6.346 10.413 -9.774 448 HB3 ASP 64 2HB ASP 64 5.298 9.242 -10.569 449 H ASN 65 H ASN 65 4.930 11.516 -6.805 450 HA ASN 65 HA ASN 65 3.369 13.892 -7.393 451 HB2 ASN 65 1HB ASN 65 4.689 12.746 -4.985 452 HB3 ASN 65 2HB ASN 65 4.488 14.495 -5.038 453 HD21 ASN 65 1HD2 ASN 65 3.016 11.527 -4.411 454 HD22 ASN 65 2HD2 ASN 65 1.399 12.095 -4.189 455 H GLY 66 H GLY 66 6.753 12.978 -6.928 456 HA2 GLY 66 1HA GLY 66 8.600 13.984 -7.952 457 HA3 GLY 66 2HA GLY 66 7.569 15.319 -8.448 458 H ASP 67 H ASP 67 6.555 15.530 -5.620 459 HA ASP 67 HA ASP 67 8.624 17.340 -4.709 460 HB2 ASP 67 1HB ASP 67 6.336 18.116 -4.599 461 HB3 ASP 67 2HB ASP 67 5.867 16.718 -3.635 462 H GLY 68 H GLY 68 9.130 14.450 -4.641 463 HA2 GLY 68 1HA GLY 68 10.380 13.110 -3.228 464 HA3 GLY 68 2HA GLY 68 10.194 14.325 -1.972 465 H THR 69 H THR 69 7.441 12.969 -3.626 466 HA THR 69 HA THR 69 6.911 11.092 -1.464 467 HB THR 69 HB THR 69 4.710 11.982 -0.955 468 HG1 THR 69 1HG THR 69 5.399 14.067 -2.776 469 HG21 THR 69 1HG2 THR 69 5.382 13.691 0.448 470 HG22 THR 69 2HG2 THR 69 6.474 14.386 -0.750 471 HG23 THR 69 3HG2 THR 69 6.921 12.906 0.097 472 H TYR 70 H TYR 70 4.570 10.128 -1.906 473 HA TYR 70 HA TYR 70 3.975 9.912 -4.739 474 HB2 TYR 70 1HB TYR 70 4.748 7.466 -3.136 475 HB3 TYR 70 2HB TYR 70 4.214 7.487 -4.813 476 HD1 TYR 70 1HD TYR 70 6.908 8.765 -2.581 477 HD2 TYR 70 2HD TYR 70 5.780 7.660 -6.531 478 HE1 TYR 70 1HE TYR 70 9.243 9.021 -3.312 479 HE2 TYR 70 2HE TYR 70 8.111 7.911 -7.274 480 HH TYR 70 HH TYR 70 10.286 9.540 -5.985 481 H THR 71 H THR 71 2.019 8.605 -5.138 482 HA THR 71 HA THR 71 0.279 8.389 -2.777 483 HB THR 71 HB THR 71 -0.559 9.585 -5.426 484 HG1 THR 71 1HG THR 71 0.111 10.715 -2.916 485 HG21 THR 71 1HG2 THR 71 -2.706 9.638 -4.677 486 HG22 THR 71 2HG2 THR 71 -2.228 9.805 -2.988 487 HG23 THR 71 3HG2 THR 71 -2.167 8.226 -3.769 488 H VAL 72 H VAL 72 -0.938 6.589 -2.691 489 HA VAL 72 HA VAL 72 -1.193 4.958 -5.126 490 HB VAL 72 HB VAL 72 -0.508 3.909 -2.377 491 HG11 VAL 72 1HG1 VAL 72 -0.701 1.748 -3.185 492 HG12 VAL 72 2HG1 VAL 72 -2.070 2.559 -3.950 493 HG13 VAL 72 3HG1 VAL 72 -0.595 2.258 -4.870 494 HG21 VAL 72 1HG2 VAL 72 1.640 3.486 -3.126 495 HG22 VAL 72 2HG2 VAL 72 1.175 3.561 -4.826 496 HG23 VAL 72 3HG2 VAL 72 1.287 5.043 -3.877 497 H SER 73 H SER 73 -3.189 4.226 -5.514 498 HA SER 73 HA SER 73 -5.166 4.384 -3.333 499 HB2 SER 73 1HB SER 73 -6.852 5.017 -4.970 500 HB3 SER 73 2HB SER 73 -5.492 6.135 -5.067 501 HG SER 73 HG SER 73 -6.072 5.508 -7.139 502 H TYR 74 H TYR 74 -6.753 2.781 -3.233 503 HA TYR 74 HA TYR 74 -6.809 0.633 -5.149 504 HB2 TYR 74 1HB TYR 74 -6.097 -1.135 -3.680 505 HB3 TYR 74 2HB TYR 74 -4.828 0.083 -3.724 506 HD1 TYR 74 1HD TYR 74 -4.528 1.619 -1.785 507 HD2 TYR 74 2HD TYR 74 -7.215 -1.677 -1.651 508 HE1 TYR 74 1HE TYR 74 -4.576 1.765 0.670 509 HE2 TYR 74 2HE TYR 74 -7.271 -1.540 0.804 510 HH TYR 74 HH TYR 74 -5.077 0.031 2.607 511 H LEU 75 H LEU 75 -8.460 -0.984 -4.625 512 HA LEU 75 HA LEU 75 -10.476 0.031 -2.734 513 HB2 LEU 75 1HB LEU 75 -11.199 0.565 -4.967 514 HB3 LEU 75 2HB LEU 75 -10.905 -1.090 -5.497 515 HG LEU 75 HG LEU 75 -12.711 -1.601 -3.611 516 HD11 LEU 75 1HD1 LEU 75 -13.684 1.044 -4.639 517 HD12 LEU 75 2HD1 LEU 75 -12.800 0.905 -3.120 518 HD13 LEU 75 3HD1 LEU 75 -14.333 0.058 -3.328 519 HD21 LEU 75 1HD2 LEU 75 -14.094 -2.121 -5.328 520 HD22 LEU 75 2HD2 LEU 75 -12.640 -1.800 -6.273 521 HD23 LEU 75 3HD2 LEU 75 -13.885 -0.559 -6.119 522 HA PRO 76 HA PRO 76 -9.631 -4.221 -1.379 523 HB2 PRO 76 1HB PRO 76 -10.519 -3.807 1.153 524 HB3 PRO 76 2HB PRO 76 -8.895 -3.359 0.619 525 HG2 PRO 76 1HG PRO 76 -11.328 -1.643 0.926 526 HG3 PRO 76 2HG PRO 76 -9.651 -1.299 1.389 527 HD2 PRO 76 1HD PRO 76 -10.769 -0.317 -0.873 528 HD3 PRO 76 2HD PRO 76 -9.045 -0.722 -0.759 529 H ASP 77 H ASP 77 -11.408 -4.794 -2.872 530 HA ASP 77 HA ASP 77 -14.109 -4.555 -2.374 531 HB2 ASP 77 1HB ASP 77 -14.430 -6.143 -4.014 532 HB3 ASP 77 2HB ASP 77 -12.768 -5.669 -4.354 533 H MET 78 H MET 78 -11.994 -7.248 -1.381 534 HA MET 78 HA MET 78 -14.063 -8.404 0.256 535 HB2 MET 78 1HB MET 78 -11.148 -9.080 -0.135 536 HB3 MET 78 2HB MET 78 -12.208 -9.975 0.946 537 HG2 MET 78 1HG MET 78 -12.743 -9.617 -1.989 538 HG3 MET 78 2HG MET 78 -11.873 -10.990 -1.310 539 HE1 MET 78 1HE MET 78 -14.993 -13.032 -1.880 540 HE2 MET 78 2HE MET 78 -13.821 -12.164 -2.871 541 HE3 MET 78 3HE MET 78 -13.272 -13.144 -1.510 542 H SER 79 H SER 79 -13.354 -9.075 2.574 543 HA SER 79 HA SER 79 -12.154 -6.737 3.907 544 HB2 SER 79 1HB SER 79 -13.763 -7.127 5.779 545 HB3 SER 79 2HB SER 79 -14.547 -6.655 4.271 546 HG SER 79 HG SER 79 -15.120 -8.796 3.934 547 H GLY 80 H GLY 80 -10.836 -7.122 5.664 548 HA2 GLY 80 1HA GLY 80 -10.421 -9.039 7.384 549 HA3 GLY 80 2HA GLY 80 -9.939 -9.903 5.932 550 H ARG 81 H ARG 81 -7.841 -10.153 6.853 551 HA ARG 81 HA ARG 81 -6.255 -7.759 7.292 552 HB2 ARG 81 1HB ARG 81 -6.158 -9.987 8.638 553 HB3 ARG 81 2HB ARG 81 -5.156 -10.550 7.307 554 HG2 ARG 81 1HG ARG 81 -4.463 -7.963 8.594 555 HG3 ARG 81 2HG ARG 81 -4.109 -9.460 9.460 556 HD2 ARG 81 1HD ARG 81 -3.209 -8.804 6.657 557 HD3 ARG 81 2HD ARG 81 -2.207 -8.687 8.103 558 HE ARG 81 HE ARG 81 -2.956 -11.089 6.691 559 HH11 ARG 81 1HH1 ARG 81 -1.796 -9.730 9.679 560 HH12 ARG 81 2HH1 ARG 81 -1.064 -11.205 10.217 561 HH21 ARG 81 1HH2 ARG 81 -1.996 -13.037 7.389 562 HH22 ARG 81 2HH2 ARG 81 -1.177 -13.085 8.913 563 H TYR 82 H TYR 82 -5.733 -6.750 5.436 564 HA TYR 82 HA TYR 82 -4.984 -8.259 3.078 565 HB2 TYR 82 1HB TYR 82 -5.471 -5.370 3.687 566 HB3 TYR 82 2HB TYR 82 -4.551 -5.799 2.250 567 HD1 TYR 82 2HD TYR 82 -7.813 -6.301 3.946 568 HD2 TYR 82 1HD TYR 82 -5.640 -6.529 0.295 569 HE1 TYR 82 2HE TYR 82 -9.912 -6.696 2.728 570 HE2 TYR 82 1HE TYR 82 -7.734 -6.923 -0.934 571 HH TYR 82 HH TYR 82 -10.800 -6.454 0.463 572 H THR 83 H THR 83 -2.969 -8.257 2.102 573 HA THR 83 HA THR 83 -0.746 -7.488 3.869 574 HB THR 83 HB THR 83 -0.678 -9.461 1.580 575 HG1 THR 83 1HG THR 83 -1.596 -10.762 2.966 576 HG21 THR 83 1HG2 THR 83 1.382 -8.174 2.989 577 HG22 THR 83 2HG2 THR 83 1.526 -9.553 1.898 578 HG23 THR 83 3HG2 THR 83 1.310 -9.815 3.628 579 H ILE 84 H ILE 84 -0.192 -5.452 3.292 580 HA ILE 84 HA ILE 84 0.077 -4.793 0.455 581 HB ILE 84 HB ILE 84 0.326 -3.000 2.873 582 HG12 ILE 84 1HG1 ILE 84 -1.937 -3.178 0.877 583 HG13 ILE 84 2HG1 ILE 84 -1.955 -3.981 2.443 584 HG21 ILE 84 1HG2 ILE 84 1.595 -2.068 1.093 585 HG22 ILE 84 2HG2 ILE 84 0.328 -2.424 -0.080 586 HG23 ILE 84 3HG2 ILE 84 0.067 -1.189 1.151 587 HD11 ILE 84 1HD1 ILE 84 -2.297 -1.134 1.765 588 HD12 ILE 84 2HD1 ILE 84 -3.046 -2.103 3.034 589 HD13 ILE 84 3HD1 ILE 84 -1.405 -1.494 3.242 590 H THR 85 H THR 85 1.966 -5.525 -0.331 591 HA THR 85 HA THR 85 4.402 -5.256 1.259 592 HB THR 85 HB THR 85 4.095 -6.530 -1.464 593 HG1 THR 85 1HG THR 85 2.911 -7.838 -0.197 594 HG21 THR 85 1HG2 THR 85 6.183 -7.695 -0.821 595 HG22 THR 85 2HG2 THR 85 6.248 -6.716 0.645 596 HG23 THR 85 3HG2 THR 85 6.386 -5.947 -0.936 597 H ILE 86 H ILE 86 5.530 -3.440 1.093 598 HA ILE 86 HA ILE 86 5.545 -2.021 -1.490 599 HB ILE 86 HB ILE 86 5.973 -0.871 1.270 600 HG12 ILE 86 1HG1 ILE 86 3.698 -0.356 -0.648 601 HG13 ILE 86 2HG1 ILE 86 3.614 -1.548 0.645 602 HG21 ILE 86 1HG2 ILE 86 6.691 1.032 0.344 603 HG22 ILE 86 2HG2 ILE 86 6.992 0.060 -1.096 604 HG23 ILE 86 3HG2 ILE 86 5.487 0.965 -0.943 605 HD11 ILE 86 1HD1 ILE 86 3.338 1.344 0.742 606 HD12 ILE 86 2HD1 ILE 86 2.783 0.109 1.872 607 HD13 ILE 86 3HD1 ILE 86 4.440 0.705 1.961 608 H LYS 87 H LYS 87 7.416 -1.909 -2.532 609 HA LYS 87 HA LYS 87 9.913 -2.201 -1.001 610 HB2 LYS 87 1HB LYS 87 9.103 -3.592 -3.547 611 HB3 LYS 87 2HB LYS 87 10.790 -3.415 -3.083 612 HG2 LYS 87 1HG LYS 87 10.250 -4.577 -0.945 613 HG3 LYS 87 2HG LYS 87 8.633 -4.882 -1.583 614 HD2 LYS 87 1HD LYS 87 9.417 -6.332 -3.220 615 HD3 LYS 87 2HD LYS 87 11.056 -5.680 -3.152 616 HE2 LYS 87 1HE LYS 87 11.158 -6.614 -0.788 617 HE3 LYS 87 2HE LYS 87 9.684 -7.494 -1.185 618 HZ1 LYS 87 1HZ LYS 87 12.093 -8.495 -1.573 619 HZ2 LYS 87 2HZ LYS 87 11.896 -7.726 -3.066 620 HZ3 LYS 87 3HZ LYS 87 10.778 -8.891 -2.561 621 H TYR 88 H TYR 88 11.485 -0.777 -1.480 622 HA TYR 88 HA TYR 88 10.936 1.146 -3.631 623 HB2 TYR 88 1HB TYR 88 11.259 1.847 -1.160 624 HB3 TYR 88 2HB TYR 88 12.969 1.546 -1.451 625 HD1 TYR 88 1HD TYR 88 10.086 3.641 -2.399 626 HD2 TYR 88 2HD TYR 88 14.287 3.064 -2.745 627 HE1 TYR 88 1HE TYR 88 10.311 5.895 -3.357 628 HE2 TYR 88 2HE TYR 88 14.524 5.317 -3.703 629 HH TYR 88 HH TYR 88 13.434 7.097 -4.511 630 H GLY 89 H GLY 89 12.069 0.959 -5.440 631 HA2 GLY 89 1HA GLY 89 13.655 0.125 -6.910 632 HA3 GLY 89 2HA GLY 89 14.734 0.993 -5.827 633 H GLY 90 H GLY 90 12.868 -1.859 -4.949 634 HA2 GLY 90 1HA GLY 90 13.588 -4.082 -4.749 635 HA3 GLY 90 2HA GLY 90 15.209 -3.574 -5.198 636 H ASP 91 H ASP 91 13.146 -2.272 -2.634 637 HA ASP 91 HA ASP 91 14.736 -3.566 -0.582 638 HB2 ASP 91 1HB ASP 91 15.812 -1.301 -1.390 639 HB3 ASP 91 2HB ASP 91 14.553 -0.586 -0.387 640 H GLU 92 H GLU 92 13.106 -4.438 0.538 641 HA GLU 92 HA GLU 92 10.532 -3.292 0.787 642 HB2 GLU 92 1HB GLU 92 11.166 -5.743 1.031 643 HB3 GLU 92 2HB GLU 92 11.727 -5.342 2.648 644 HG2 GLU 92 1HG GLU 92 9.355 -4.364 2.966 645 HG3 GLU 92 2HG GLU 92 8.945 -5.351 1.564 646 H ILE 93 H ILE 93 9.678 -1.936 2.249 647 HA ILE 93 HA ILE 93 11.375 -0.415 3.932 648 HB ILE 93 HB ILE 93 9.268 0.594 4.793 649 HG12 ILE 93 1HG1 ILE 93 7.897 -1.241 2.821 650 HG13 ILE 93 2HG1 ILE 93 7.919 -1.517 4.559 651 HG21 ILE 93 1HG2 ILE 93 10.499 1.085 2.513 652 HG22 ILE 93 2HG2 ILE 93 8.976 0.510 1.836 653 HG23 ILE 93 3HG2 ILE 93 8.987 1.891 2.932 654 HD11 ILE 93 1HD1 ILE 93 6.186 -0.175 4.824 655 HD12 ILE 93 2HD1 ILE 93 7.040 1.148 4.029 656 HD13 ILE 93 3HD1 ILE 93 6.097 0.005 3.073 657 HA PRO 94 HA PRO 94 11.388 -2.685 7.692 658 HB2 PRO 94 1HB PRO 94 11.516 -0.666 9.503 659 HB3 PRO 94 2HB PRO 94 12.882 -1.127 8.480 660 HG2 PRO 94 1HG PRO 94 10.927 1.114 8.133 661 HG3 PRO 94 2HG PRO 94 12.686 1.118 7.907 662 HD2 PRO 94 1HD PRO 94 10.951 0.942 5.836 663 HD3 PRO 94 2HD PRO 94 12.546 0.162 5.815 664 H TYR 95 H TYR 95 8.756 -1.010 6.655 665 HA TYR 95 HA TYR 95 7.212 -1.535 9.106 666 HB2 TYR 95 1HB TYR 95 6.373 0.198 6.780 667 HB3 TYR 95 2HB TYR 95 5.622 0.101 8.369 668 HD1 TYR 95 2HD TYR 95 7.950 0.265 10.154 669 HD2 TYR 95 1HD TYR 95 7.096 2.400 6.575 670 HE1 TYR 95 2HE TYR 95 9.356 2.126 10.936 671 HE2 TYR 95 1HE TYR 95 8.500 4.267 7.345 672 HH TYR 95 HH TYR 95 9.938 4.969 8.900 673 H SER 96 H SER 96 7.838 -2.707 6.031 674 HA SER 96 HA SER 96 5.190 -3.920 5.726 675 HB2 SER 96 1HB SER 96 5.723 -3.213 3.616 676 HB3 SER 96 2HB SER 96 7.459 -3.345 3.895 677 HG SER 96 HG SER 96 7.340 -5.531 3.551 678 HA PRO 97 HA PRO 97 4.562 -5.677 4.252 679 HB2 PRO 97 1HB PRO 97 2.907 -7.629 5.158 680 HB3 PRO 97 2HB PRO 97 4.192 -7.928 3.981 681 HG2 PRO 97 1HG PRO 97 4.178 -8.415 6.934 682 HG3 PRO 97 2HG PRO 97 4.793 -9.451 5.633 683 HD2 PRO 97 1HD PRO 97 6.414 -7.903 7.153 684 HD3 PRO 97 2HD PRO 97 6.761 -8.265 5.450 685 H PHE 98 H PHE 98 2.773 -4.442 4.579 686 HA PHE 98 HA PHE 98 2.282 -3.515 7.280 687 HB2 PHE 98 1HB PHE 98 1.613 -2.583 4.542 688 HB3 PHE 98 2HB PHE 98 0.495 -2.132 5.826 689 HD1 PHE 98 2HD PHE 98 1.979 -1.447 8.081 690 HD2 PHE 98 1HD PHE 98 3.059 -0.901 4.000 691 HE1 PHE 98 2HE PHE 98 3.467 0.403 8.725 692 HE2 PHE 98 1HE PHE 98 4.549 0.950 4.638 693 HZ PHE 98 HZ PHE 98 4.753 1.605 7.003 694 H ARG 99 H ARG 99 0.936 -4.606 8.544 695 HA ARG 99 HA ARG 99 -1.133 -6.293 7.443 696 HB2 ARG 99 1HB ARG 99 -1.622 -6.718 9.902 697 HB3 ARG 99 2HB ARG 99 -0.033 -7.200 9.326 698 HG2 ARG 99 1HG ARG 99 1.023 -5.398 10.394 699 HG3 ARG 99 2HG ARG 99 -0.505 -4.554 10.656 700 HD2 ARG 99 1HD ARG 99 -0.161 -5.418 12.746 701 HD3 ARG 99 2HD ARG 99 -1.088 -6.729 12.017 702 HE ARG 99 HE ARG 99 1.786 -6.961 11.774 703 HH11 ARG 99 1HH1 ARG 99 -1.058 -7.753 13.620 704 HH12 ARG 99 2HH1 ARG 99 -0.332 -9.119 14.399 705 HH21 ARG 99 1HH2 ARG 99 2.753 -8.758 12.793 706 HH22 ARG 99 2HH2 ARG 99 1.836 -9.690 13.928 707 H ILE 100 H ILE 100 -2.784 -5.144 6.584 708 HA ILE 100 HA ILE 100 -4.050 -3.094 8.277 709 HB ILE 100 HB ILE 100 -4.380 -3.466 5.299 710 HG12 ILE 100 1HG1 ILE 100 -2.070 -2.789 5.966 711 HG13 ILE 100 2HG1 ILE 100 -2.908 -1.575 5.007 712 HG21 ILE 100 1HG2 ILE 100 -5.281 -1.107 5.503 713 HG22 ILE 100 2HG2 ILE 100 -6.295 -2.392 6.157 714 HG23 ILE 100 3HG2 ILE 100 -5.339 -1.384 7.243 715 HD11 ILE 100 1HD1 ILE 100 -3.199 -1.279 7.909 716 HD12 ILE 100 2HD1 ILE 100 -1.563 -1.062 7.285 717 HD13 ILE 100 3HD1 ILE 100 -2.883 -0.071 6.664 718 H HIS 101 H HIS 101 -6.111 -3.333 8.929 719 HA HIS 101 HA HIS 101 -7.510 -5.777 8.081 720 HB2 HIS 101 1HB HIS 101 -6.874 -5.177 10.580 721 HB3 HIS 101 2HB HIS 101 -8.352 -4.224 10.489 722 HD1 HIS 101 1HD HIS 101 -7.309 -7.376 11.591 723 HD2 HIS 101 2HD HIS 101 -10.527 -6.079 9.305 724 HE1 HIS 101 1HE HIS 101 -9.028 -9.205 11.751 725 HE2 HIS 101 2HE HIS 101 -10.931 -8.436 10.291 726 H ALA 102 H ALA 102 -9.226 -5.568 6.817 727 HA ALA 102 HA ALA 102 -10.448 -2.928 6.503 728 HB1 ALA 102 1HB ALA 102 -11.649 -4.320 4.592 729 HB2 ALA 102 2HB ALA 102 -10.032 -3.647 4.384 730 HB3 ALA 102 3HB ALA 102 -10.231 -5.348 4.801 731 H LEU 103 H LEU 103 -12.323 -2.453 7.431 732 HA LEU 103 HA LEU 103 -13.949 -4.637 8.521 733 HB2 LEU 103 1HB LEU 103 -14.197 -1.697 9.111 734 HB3 LEU 103 2HB LEU 103 -14.904 -3.038 10.009 735 HG LEU 103 HG LEU 103 -11.943 -2.494 9.830 736 HD11 LEU 103 1HD1 LEU 103 -13.571 -0.806 11.046 737 HD12 LEU 103 2HD1 LEU 103 -12.020 -1.265 11.746 738 HD13 LEU 103 3HD1 LEU 103 -13.504 -2.031 12.313 739 HD21 LEU 103 1HD2 LEU 103 -12.505 -3.944 12.108 740 HD22 LEU 103 2HD2 LEU 103 -11.827 -4.580 10.609 741 HD23 LEU 103 3HD2 LEU 103 -13.567 -4.656 10.894 742 HA PRO 104 HA PRO 104 -17.018 -4.012 5.412 743 HB2 PRO 104 1HB PRO 104 -19.084 -5.256 6.659 744 HB3 PRO 104 2HB PRO 104 -17.738 -6.134 5.923 745 HG2 PRO 104 1HG PRO 104 -18.193 -5.428 8.797 746 HG3 PRO 104 2HG PRO 104 -17.614 -6.951 8.097 747 HD2 PRO 104 1HD PRO 104 -15.945 -5.130 9.207 748 HD3 PRO 104 2HD PRO 104 -15.463 -6.164 7.846 749 H THR 105 H THR 105 -17.354 -1.790 5.424 750 HA THR 105 HA THR 105 -19.747 -0.923 6.835 751 HB THR 105 HB THR 105 -17.913 -0.307 8.367 752 HG1 THR 105 1HG THR 105 -18.400 2.128 8.103 753 HG21 THR 105 1HG2 THR 105 -16.070 0.898 7.771 754 HG22 THR 105 2HG2 THR 105 -16.913 1.756 6.481 755 HG23 THR 105 3HG2 THR 105 -16.372 0.097 6.229 756 H GLY 106 H GLY 106 -20.594 1.125 6.013 757 HA2 GLY 106 1HA GLY 106 -20.845 2.785 4.387 758 HA3 GLY 106 2HA GLY 106 -19.448 2.136 3.541 759 H ASP 107 H ASP 107 -22.377 2.837 2.847 760 HA ASP 107 HA ASP 107 -23.602 0.413 2.025 761 HB2 ASP 107 1HB ASP 107 -24.851 2.522 2.376 762 HB3 ASP 107 2HB ASP 107 -24.048 3.213 0.969 763 H ALA 108 H ALA 108 -22.621 -0.910 0.632 764 HA ALA 108 HA ALA 108 -20.702 -0.237 -1.262 765 HB1 ALA 108 1HB ALA 108 -22.505 -2.529 -1.835 766 HB2 ALA 108 2HB ALA 108 -20.745 -2.430 -1.894 767 HB3 ALA 108 3HB ALA 108 -21.570 -2.557 -0.340 768 H SER 109 H SER 109 -21.155 1.430 -2.624 769 HA SER 109 HA SER 109 -23.276 0.952 -4.598 770 HB2 SER 109 1HB SER 109 -24.259 2.599 -3.192 771 HB3 SER 109 2HB SER 109 -22.752 3.508 -3.079 772 HG SER 109 HG SER 109 -23.502 4.597 -4.704 773 H SER 110 H SER 110 -20.494 3.042 -3.829 774 HA SER 110 HA SER 110 -19.713 2.883 -6.667 775 HB2 SER 110 1HB SER 110 -20.356 5.170 -5.740 776 HB3 SER 110 2HB SER 110 -18.895 5.075 -4.758 777 HG SER 110 HG SER 110 -19.129 5.170 -7.571 778 H GLY 111 H GLY 111 -18.292 1.216 -6.690 779 HA2 GLY 111 1HA GLY 111 -15.658 1.536 -5.970 780 HA3 GLY 111 2HA GLY 111 -16.406 0.741 -4.593 781 HA PRO 112 HA PRO 112 -15.626 -3.104 -6.569 782 HB2 PRO 112 1HB PRO 112 -17.446 -4.642 -5.267 783 HB3 PRO 112 2HB PRO 112 -15.959 -4.063 -4.507 784 HG2 PRO 112 1HG PRO 112 -18.739 -2.972 -4.303 785 HG3 PRO 112 2HG PRO 112 -17.532 -3.204 -3.025 786 HD2 PRO 112 1HD PRO 112 -18.004 -0.792 -4.161 787 HD3 PRO 112 2HD PRO 112 -16.401 -1.270 -3.567 788 H SER 113 H SER 113 -16.845 -4.928 -7.663 789 HA SER 113 HA SER 113 -19.456 -4.269 -8.716 790 HB2 SER 113 1HB SER 113 -16.968 -4.163 -10.406 791 HB3 SER 113 2HB SER 113 -18.532 -4.561 -11.117 792 HG SER 113 HG SER 113 -19.125 -2.498 -9.812 793 H SER 114 H SER 114 -20.520 -6.028 -9.616 794 HA SER 114 HA SER 114 -19.057 -8.577 -9.653 795 HB2 SER 114 1HB SER 114 -21.773 -8.123 -8.392 796 HB3 SER 114 2HB SER 114 -20.979 -9.687 -8.571 797 HG SER 114 HG SER 114 -19.855 -7.499 -7.160 798 H GLY 115 H GLY 115 -22.285 -7.213 -10.349 799 HA2 GLY 115 1HA GLY 115 -22.328 -8.829 -12.814 800 HA3 GLY 115 2HA GLY 115 -23.750 -8.216 -11.982 Start of MODEL 4 1 H1 GLY 1 H GLY 1 18.634 -9.957 -15.800 2 HA2 GLY 1 1HA GLY 1 17.036 -7.760 -16.302 3 HA3 GLY 1 2HA GLY 1 17.254 -7.794 -14.558 4 H SER 2 H SER 2 18.146 -5.631 -15.904 5 HA SER 2 HA SER 2 21.060 -6.023 -16.089 6 HB2 SER 2 1HB SER 2 21.120 -4.000 -17.469 7 HB3 SER 2 2HB SER 2 20.011 -5.183 -18.161 8 HG SER 2 HG SER 2 18.691 -3.535 -18.138 9 H SER 3 H SER 3 21.446 -5.833 -13.867 10 HA SER 3 HA SER 3 21.422 -3.078 -12.903 11 HB2 SER 3 1HB SER 3 20.428 -3.615 -10.785 12 HB3 SER 3 2HB SER 3 19.353 -4.234 -12.038 13 HG SER 3 HG SER 3 19.796 -6.227 -11.452 14 H GLY 4 H GLY 4 23.322 -2.558 -12.034 15 HA2 GLY 4 1HA GLY 4 24.836 -4.303 -10.376 16 HA3 GLY 4 2HA GLY 4 25.520 -4.245 -11.994 17 H SER 5 H SER 5 23.959 -1.628 -10.195 18 HA SER 5 HA SER 5 26.557 -0.249 -10.077 19 HB2 SER 5 1HB SER 5 23.937 0.745 -11.148 20 HB3 SER 5 2HB SER 5 25.073 1.883 -10.424 21 HG SER 5 HG SER 5 25.192 0.572 -12.829 22 H SER 6 H SER 6 26.949 0.981 -8.271 23 HA SER 6 HA SER 6 26.012 0.278 -5.839 24 HB2 SER 6 1HB SER 6 27.889 1.709 -5.878 25 HB3 SER 6 2HB SER 6 27.033 2.947 -6.797 26 HG SER 6 HG SER 6 27.042 2.441 -4.082 27 H GLY 7 H GLY 7 23.965 0.092 -5.195 28 HA2 GLY 7 1HA GLY 7 21.950 1.984 -6.103 29 HA3 GLY 7 2HA GLY 7 21.665 0.523 -5.168 30 H ALA 8 H ALA 8 22.098 3.909 -5.074 31 HA ALA 8 HA ALA 8 22.442 3.963 -2.176 32 HB1 ALA 8 1HB ALA 8 23.804 5.556 -3.206 33 HB2 ALA 8 2HB ALA 8 22.527 6.069 -4.310 34 HB3 ALA 8 3HB ALA 8 22.436 6.490 -2.599 35 H HIS 9 H HIS 9 20.340 2.987 -1.769 36 HA HIS 9 HA HIS 9 18.260 5.031 -1.613 37 HB2 HIS 9 1HB HIS 9 16.532 3.446 -2.399 38 HB3 HIS 9 2HB HIS 9 17.713 3.818 -3.652 39 HD1 HIS 9 1HD HIS 9 19.226 1.907 -4.460 40 HD2 HIS 9 2HD HIS 9 16.581 0.796 -1.455 41 HE1 HIS 9 1HE HIS 9 19.304 -0.606 -4.390 42 HE2 HIS 9 2HE HIS 9 17.633 -1.258 -2.623 43 H ASP 10 H ASP 10 16.969 4.873 0.177 44 HA ASP 10 HA ASP 10 17.418 2.566 1.949 45 HB2 ASP 10 1HB ASP 10 17.666 5.483 2.532 46 HB3 ASP 10 2HB ASP 10 17.041 4.428 3.797 47 H ALA 11 H ALA 11 15.522 1.519 1.835 48 HA ALA 11 HA ALA 11 13.014 2.699 1.384 49 HB1 ALA 11 1HB ALA 11 13.743 0.244 1.131 50 HB2 ALA 11 2HB ALA 11 13.337 0.101 2.842 51 HB3 ALA 11 3HB ALA 11 12.100 0.579 1.679 52 H SER 12 H SER 12 14.849 2.183 4.295 53 HA SER 12 HA SER 12 12.773 2.375 6.182 54 HB2 SER 12 1HB SER 12 15.244 1.694 6.525 55 HB3 SER 12 2HB SER 12 15.551 3.423 6.684 56 HG SER 12 HG SER 12 13.645 3.195 8.266 57 H LYS 13 H LYS 13 14.168 4.710 4.125 58 HA LYS 13 HA LYS 13 13.424 6.977 5.781 59 HB2 LYS 13 1HB LYS 13 14.532 6.865 2.970 60 HB3 LYS 13 2HB LYS 13 14.294 8.333 3.908 61 HG2 LYS 13 1HG LYS 13 15.983 6.151 5.031 62 HG3 LYS 13 2HG LYS 13 16.642 7.200 3.773 63 HD2 LYS 13 1HD LYS 13 15.934 9.157 5.198 64 HD3 LYS 13 2HD LYS 13 15.588 7.996 6.482 65 HE2 LYS 13 1HE LYS 13 17.968 7.192 6.221 66 HE3 LYS 13 2HE LYS 13 18.240 8.593 5.187 67 HZ1 LYS 13 1HZ LYS 13 17.158 8.868 7.925 68 HZ2 LYS 13 2HZ LYS 13 17.874 10.054 6.955 69 HZ3 LYS 13 3HZ LYS 13 18.823 8.826 7.627 70 H VAL 14 H VAL 14 11.589 4.911 4.267 71 HA VAL 14 HA VAL 14 9.911 6.841 2.834 72 HB VAL 14 HB VAL 14 9.672 3.832 2.976 73 HG11 VAL 14 1HG1 VAL 14 7.891 5.897 2.018 74 HG12 VAL 14 2HG1 VAL 14 8.346 4.784 0.726 75 HG13 VAL 14 3HG1 VAL 14 7.611 4.166 2.206 76 HG21 VAL 14 1HG2 VAL 14 10.816 5.644 0.857 77 HG22 VAL 14 2HG2 VAL 14 11.674 4.421 1.793 78 HG23 VAL 14 3HG2 VAL 14 10.458 3.935 0.612 79 H ARG 15 H ARG 15 8.269 7.754 3.862 80 HA ARG 15 HA ARG 15 7.247 6.518 6.310 81 HB2 ARG 15 1HB ARG 15 7.343 9.287 5.232 82 HB3 ARG 15 2HB ARG 15 5.980 8.873 6.264 83 HG2 ARG 15 1HG ARG 15 8.705 8.171 7.207 84 HG3 ARG 15 2HG ARG 15 8.218 9.867 7.240 85 HD2 ARG 15 1HD ARG 15 6.076 8.959 8.393 86 HD3 ARG 15 2HD ARG 15 7.062 7.533 8.712 87 HE ARG 15 HE ARG 15 8.309 10.003 9.491 88 HH11 ARG 15 1HH1 ARG 15 6.152 7.449 10.463 89 HH12 ARG 15 2HH1 ARG 15 6.407 7.702 12.158 90 HH21 ARG 15 1HH2 ARG 15 8.653 10.345 11.720 91 HH22 ARG 15 2HH2 ARG 15 7.829 9.350 12.871 92 H ALA 16 H ALA 16 5.376 5.470 6.328 93 HA ALA 16 HA ALA 16 3.533 5.855 4.064 94 HB1 ALA 16 1HB ALA 16 4.567 3.503 5.342 95 HB2 ALA 16 2HB ALA 16 2.806 3.527 5.443 96 HB3 ALA 16 3HB ALA 16 3.601 3.645 3.873 97 H SER 17 H SER 17 1.749 6.959 4.491 98 HA SER 17 HA SER 17 0.329 6.522 6.994 99 HB2 SER 17 1HB SER 17 1.901 8.455 7.368 100 HB3 SER 17 2HB SER 17 1.030 9.329 6.108 101 HG SER 17 HG SER 17 0.297 8.769 8.706 102 H GLY 18 H GLY 18 -1.818 7.709 6.968 103 HA2 GLY 18 1HA GLY 18 -3.403 8.876 5.428 104 HA3 GLY 18 2HA GLY 18 -2.859 7.741 4.202 105 HA PRO 19 HA PRO 19 -6.709 6.129 6.330 106 HB2 PRO 19 1HB PRO 19 -8.198 5.891 4.073 107 HB3 PRO 19 2HB PRO 19 -8.142 7.373 5.034 108 HG2 PRO 19 1HG PRO 19 -6.668 6.690 2.519 109 HG3 PRO 19 2HG PRO 19 -7.473 8.205 2.968 110 HD2 PRO 19 1HD PRO 19 -4.793 7.869 3.153 111 HD3 PRO 19 2HD PRO 19 -5.705 8.906 4.269 112 H GLY 20 H GLY 20 -5.312 5.237 3.178 113 HA2 GLY 20 1HA GLY 20 -6.188 2.572 3.139 114 HA3 GLY 20 2HA GLY 20 -4.792 3.194 2.272 115 H LEU 21 H LEU 21 -3.556 4.073 4.847 116 HA LEU 21 HA LEU 21 -2.549 1.429 5.647 117 HB2 LEU 21 1HB LEU 21 -1.238 4.111 6.044 118 HB3 LEU 21 2HB LEU 21 -0.518 2.526 6.313 119 HG LEU 21 HG LEU 21 -1.328 3.643 3.628 120 HD11 LEU 21 1HD1 LEU 21 1.478 3.104 4.004 121 HD12 LEU 21 2HD1 LEU 21 0.894 4.274 5.187 122 HD13 LEU 21 3HD1 LEU 21 0.677 4.580 3.464 123 HD21 LEU 21 1HD2 LEU 21 -0.058 1.058 4.488 124 HD22 LEU 21 2HD2 LEU 21 0.103 1.690 2.849 125 HD23 LEU 21 3HD2 LEU 21 -1.493 1.301 3.492 126 H ASN 22 H ASN 22 -4.969 2.394 6.744 127 HA ASN 22 HA ASN 22 -4.431 3.523 9.337 128 HB2 ASN 22 1HB ASN 22 -6.549 3.899 8.000 129 HB3 ASN 22 2HB ASN 22 -7.003 2.245 8.399 130 HD21 ASN 22 1HD2 ASN 22 -8.333 2.096 10.038 131 HD22 ASN 22 2HD2 ASN 22 -8.410 3.161 11.396 132 H ALA 23 H ALA 23 -3.761 2.416 11.042 133 HA ALA 23 HA ALA 23 -3.641 -0.445 11.030 134 HB1 ALA 23 1HB ALA 23 -2.206 1.521 12.270 135 HB2 ALA 23 2HB ALA 23 -3.168 0.870 13.598 136 HB3 ALA 23 3HB ALA 23 -2.125 -0.198 12.659 137 H SER 24 H SER 24 -5.774 1.957 12.376 138 HA SER 24 HA SER 24 -7.031 0.280 14.298 139 HB2 SER 24 1HB SER 24 -7.584 2.952 13.101 140 HB3 SER 24 2HB SER 24 -8.923 2.118 13.890 141 HG SER 24 HG SER 24 -6.622 3.216 14.976 142 H GLY 25 H GLY 25 -7.356 0.679 10.885 143 HA2 GLY 25 1HA GLY 25 -8.453 -1.316 9.835 144 HA3 GLY 25 2HA GLY 25 -9.788 -1.000 10.933 145 H ILE 26 H ILE 26 -9.353 -0.971 7.882 146 HA ILE 26 HA ILE 26 -10.477 1.708 7.395 147 HB ILE 26 HB ILE 26 -9.757 1.500 5.083 148 HG12 ILE 26 1HG1 ILE 26 -8.340 -1.059 5.803 149 HG13 ILE 26 2HG1 ILE 26 -9.972 -1.065 5.142 150 HG21 ILE 26 1HG2 ILE 26 -7.478 0.816 6.933 151 HG22 ILE 26 2HG2 ILE 26 -7.383 1.700 5.411 152 HG23 ILE 26 3HG2 ILE 26 -8.212 2.414 6.794 153 HD11 ILE 26 1HD1 ILE 26 -7.504 0.034 3.821 154 HD12 ILE 26 2HD1 ILE 26 -8.378 -1.435 3.384 155 HD13 ILE 26 3HD1 ILE 26 -9.137 0.142 3.164 156 HA PRO 27 HA PRO 27 -14.327 -0.125 6.310 157 HB2 PRO 27 1HB PRO 27 -15.291 1.808 4.665 158 HB3 PRO 27 2HB PRO 27 -15.201 1.997 6.420 159 HG2 PRO 27 1HG PRO 27 -13.340 3.014 4.307 160 HG3 PRO 27 2HG PRO 27 -13.956 3.843 5.749 161 HD2 PRO 27 1HD PRO 27 -11.482 2.748 5.643 162 HD3 PRO 27 2HD PRO 27 -12.430 2.821 7.142 163 H ALA 28 H ALA 28 -14.150 -1.908 5.060 164 HA ALA 28 HA ALA 28 -12.911 -2.049 2.546 165 HB1 ALA 28 1HB ALA 28 -14.276 -4.199 2.334 166 HB2 ALA 28 2HB ALA 28 -13.155 -4.077 3.690 167 HB3 ALA 28 3HB ALA 28 -14.881 -3.826 3.948 168 H SER 29 H SER 29 -14.155 -2.850 0.547 169 HA SER 29 HA SER 29 -15.521 -2.320 -1.194 170 HB2 SER 29 1HB SER 29 -17.588 -1.681 0.920 171 HB3 SER 29 2HB SER 29 -17.882 -2.151 -0.754 172 HG SER 29 HG SER 29 -17.445 -4.190 -0.280 173 H LEU 30 H LEU 30 -13.795 -0.317 -0.496 174 HA LEU 30 HA LEU 30 -15.154 1.985 -1.538 175 HB2 LEU 30 1HB LEU 30 -15.705 2.204 0.824 176 HB3 LEU 30 2HB LEU 30 -13.998 2.087 1.245 177 HG LEU 30 HG LEU 30 -13.873 4.221 -0.348 178 HD11 LEU 30 1HD1 LEU 30 -16.636 4.374 0.848 179 HD12 LEU 30 2HD1 LEU 30 -16.271 4.175 -0.865 180 HD13 LEU 30 3HD1 LEU 30 -15.802 5.656 -0.030 181 HD21 LEU 30 1HD2 LEU 30 -14.896 4.857 2.345 182 HD22 LEU 30 2HD2 LEU 30 -13.405 5.356 1.546 183 HD23 LEU 30 3HD2 LEU 30 -13.522 3.753 2.275 184 HA PRO 31 HA PRO 31 -11.106 2.466 -3.229 185 HB2 PRO 31 1HB PRO 31 -11.414 4.964 -4.247 186 HB3 PRO 31 2HB PRO 31 -12.139 3.530 -4.984 187 HG2 PRO 31 1HG PRO 31 -13.386 5.570 -3.183 188 HG3 PRO 31 2HG PRO 31 -14.044 4.821 -4.649 189 HD2 PRO 31 1HD PRO 31 -14.747 4.016 -2.161 190 HD3 PRO 31 2HD PRO 31 -14.668 2.900 -3.539 191 H VAL 32 H VAL 32 -9.656 2.589 -1.560 192 HA VAL 32 HA VAL 32 -9.361 5.197 -0.221 193 HB VAL 32 HB VAL 32 -9.820 3.159 1.215 194 HG11 VAL 32 1HG1 VAL 32 -8.187 1.523 1.552 195 HG12 VAL 32 2HG1 VAL 32 -8.217 1.739 -0.199 196 HG13 VAL 32 3HG1 VAL 32 -6.934 2.479 0.760 197 HG21 VAL 32 1HG2 VAL 32 -8.896 4.339 2.862 198 HG22 VAL 32 2HG2 VAL 32 -7.267 4.014 2.268 199 HG23 VAL 32 3HG2 VAL 32 -8.186 5.374 1.623 200 H GLU 33 H GLU 33 -7.318 6.130 -0.033 201 HA GLU 33 HA GLU 33 -5.094 4.849 -1.432 202 HB2 GLU 33 1HB GLU 33 -4.609 6.961 -2.661 203 HB3 GLU 33 2HB GLU 33 -6.097 6.176 -3.170 204 HG2 GLU 33 1HG GLU 33 -6.842 8.308 -3.035 205 HG3 GLU 33 2HG GLU 33 -7.147 7.803 -1.374 206 H PHE 34 H PHE 34 -3.144 5.260 -0.540 207 HA PHE 34 HA PHE 34 -3.108 7.071 1.773 208 HB2 PHE 34 1HB PHE 34 -0.974 5.744 2.326 209 HB3 PHE 34 2HB PHE 34 -2.518 4.919 2.510 210 HD1 PHE 34 1HD PHE 34 -3.264 3.318 0.745 211 HD2 PHE 34 2HD PHE 34 0.662 4.959 0.831 212 HE1 PHE 34 1HE PHE 34 -2.485 1.523 -0.747 213 HE2 PHE 34 2HE PHE 34 1.448 3.167 -0.661 214 HZ PHE 34 HZ PHE 34 -0.126 1.447 -1.453 215 H THR 35 H THR 35 -0.551 7.622 2.171 216 HA THR 35 HA THR 35 0.502 8.724 -0.342 217 HB THR 35 HB THR 35 0.219 10.263 2.247 218 HG1 THR 35 1HG THR 35 -1.096 10.363 -0.261 219 HG21 THR 35 1HG2 THR 35 1.205 11.408 -0.340 220 HG22 THR 35 2HG2 THR 35 2.323 10.604 0.762 221 HG23 THR 35 3HG2 THR 35 1.415 12.016 1.301 222 H ILE 36 H ILE 36 2.562 8.200 -0.630 223 HA ILE 36 HA ILE 36 4.120 7.281 1.678 224 HB ILE 36 HB ILE 36 4.586 6.894 -1.280 225 HG12 ILE 36 1HG1 ILE 36 2.797 5.493 -0.556 226 HG13 ILE 36 2HG1 ILE 36 4.228 4.471 -0.631 227 HG21 ILE 36 1HG2 ILE 36 6.677 7.114 0.061 228 HG22 ILE 36 2HG2 ILE 36 6.157 5.718 1.005 229 HG23 ILE 36 3HG2 ILE 36 6.480 5.545 -0.720 230 HD11 ILE 36 1HD1 ILE 36 3.486 3.805 1.383 231 HD12 ILE 36 2HD1 ILE 36 4.355 5.238 1.932 232 HD13 ILE 36 3HD1 ILE 36 2.611 5.306 1.680 233 H ASP 37 H ASP 37 4.765 9.271 2.521 234 HA ASP 37 HA ASP 37 6.105 11.214 0.870 235 HB2 ASP 37 1HB ASP 37 4.718 11.530 3.101 236 HB3 ASP 37 2HB ASP 37 6.289 11.265 3.851 237 H ALA 38 H ALA 38 7.936 10.323 0.002 238 HA ALA 38 HA ALA 38 10.053 9.625 1.928 239 HB1 ALA 38 1HB ALA 38 8.894 7.904 0.030 240 HB2 ALA 38 2HB ALA 38 10.500 8.312 -0.575 241 HB3 ALA 38 3HB ALA 38 10.315 7.613 1.033 242 H ARG 39 H ARG 39 11.638 11.063 1.828 243 HA ARG 39 HA ARG 39 12.017 12.630 -0.607 244 HB2 ARG 39 1HB ARG 39 13.278 12.960 2.122 245 HB3 ARG 39 2HB ARG 39 13.417 14.083 0.776 246 HG2 ARG 39 1HG ARG 39 11.755 15.128 1.883 247 HG3 ARG 39 2HG ARG 39 10.755 13.992 0.976 248 HD2 ARG 39 1HD ARG 39 10.002 13.871 3.207 249 HD3 ARG 39 2HD ARG 39 10.981 12.427 2.951 250 HE ARG 39 HE ARG 39 12.488 13.208 4.495 251 HH11 ARG 39 1HH1 ARG 39 10.313 15.773 3.596 252 HH12 ARG 39 2HH1 ARG 39 10.869 16.854 4.831 253 HH21 ARG 39 1HH2 ARG 39 13.228 14.621 6.125 254 HH22 ARG 39 2HH2 ARG 39 12.528 16.198 6.269 255 H ASP 40 H ASP 40 14.090 10.929 1.749 256 HA ASP 40 HA ASP 40 16.119 10.618 -0.344 257 HB2 ASP 40 1HB ASP 40 16.206 10.476 2.658 258 HB3 ASP 40 2HB ASP 40 17.503 9.790 1.682 259 H ALA 41 H ALA 41 13.744 9.037 -0.444 260 HA ALA 41 HA ALA 41 14.140 6.453 0.640 261 HB1 ALA 41 1HB ALA 41 11.938 7.063 0.011 262 HB2 ALA 41 2HB ALA 41 12.440 7.446 -1.636 263 HB3 ALA 41 3HB ALA 41 12.434 5.771 -1.083 264 H GLY 42 H GLY 42 15.571 8.079 -2.001 265 HA2 GLY 42 1HA GLY 42 17.628 6.935 -2.815 266 HA3 GLY 42 2HA GLY 42 16.621 5.511 -3.022 267 H GLU 43 H GLU 43 18.087 6.395 -5.130 268 HA GLU 43 HA GLU 43 16.301 7.977 -6.819 269 HB2 GLU 43 1HB GLU 43 18.909 8.227 -6.610 270 HB3 GLU 43 2HB GLU 43 18.928 6.894 -7.756 271 HG2 GLU 43 1HG GLU 43 17.681 8.183 -9.356 272 HG3 GLU 43 2HG GLU 43 17.482 9.495 -8.197 273 H GLY 44 H GLY 44 15.011 5.744 -6.350 274 HA2 GLY 44 1HA GLY 44 15.399 4.152 -8.807 275 HA3 GLY 44 2HA GLY 44 15.030 3.385 -7.270 276 H LEU 45 H LEU 45 13.113 2.465 -7.957 277 HA LEU 45 HA LEU 45 10.924 4.378 -8.428 278 HB2 LEU 45 1HB LEU 45 9.955 3.024 -10.049 279 HB3 LEU 45 2HB LEU 45 11.675 2.980 -10.432 280 HG LEU 45 HG LEU 45 11.567 0.777 -8.957 281 HD11 LEU 45 1HD1 LEU 45 8.847 0.735 -10.221 282 HD12 LEU 45 2HD1 LEU 45 9.089 1.240 -8.550 283 HD13 LEU 45 3HD1 LEU 45 9.543 -0.389 -9.053 284 HD21 LEU 45 1HD2 LEU 45 12.402 0.605 -11.117 285 HD22 LEU 45 2HD2 LEU 45 10.911 1.197 -11.850 286 HD23 LEU 45 3HD2 LEU 45 10.972 -0.427 -11.162 287 H LEU 46 H LEU 46 9.178 4.165 -7.158 288 HA LEU 46 HA LEU 46 9.268 2.249 -5.007 289 HB2 LEU 46 1HB LEU 46 8.562 4.411 -4.400 290 HB3 LEU 46 2HB LEU 46 7.412 4.494 -5.732 291 HG LEU 46 HG LEU 46 6.321 2.464 -4.399 292 HD11 LEU 46 1HD1 LEU 46 6.448 3.013 -1.957 293 HD12 LEU 46 2HD1 LEU 46 7.837 4.035 -2.326 294 HD13 LEU 46 3HD1 LEU 46 7.911 2.301 -2.639 295 HD21 LEU 46 1HD2 LEU 46 4.970 4.246 -3.166 296 HD22 LEU 46 2HD2 LEU 46 5.023 4.341 -4.926 297 HD23 LEU 46 3HD2 LEU 46 6.025 5.419 -3.954 298 H THR 47 H THR 47 7.876 0.564 -4.627 299 HA THR 47 HA THR 47 5.956 -0.083 -6.765 300 HB THR 47 HB THR 47 6.530 -2.430 -6.628 301 HG1 THR 47 1HG THR 47 7.316 -2.978 -4.726 302 HG21 THR 47 1HG2 THR 47 8.530 -0.397 -7.322 303 HG22 THR 47 2HG2 THR 47 7.928 -1.762 -8.262 304 HG23 THR 47 3HG2 THR 47 9.192 -2.010 -7.057 305 H VAL 48 H VAL 48 4.058 -1.097 -6.144 306 HA VAL 48 HA VAL 48 3.655 -1.577 -3.277 307 HB VAL 48 HB VAL 48 1.828 0.086 -5.017 308 HG11 VAL 48 1HG1 VAL 48 0.514 -1.358 -3.585 309 HG12 VAL 48 2HG1 VAL 48 1.465 -0.873 -2.180 310 HG13 VAL 48 3HG1 VAL 48 0.434 0.302 -2.997 311 HG21 VAL 48 1HG2 VAL 48 3.487 1.538 -4.314 312 HG22 VAL 48 2HG2 VAL 48 2.279 1.712 -3.041 313 HG23 VAL 48 3HG2 VAL 48 3.705 0.709 -2.773 314 H GLN 49 H GLN 49 2.307 -3.252 -2.793 315 HA GLN 49 HA GLN 49 0.703 -4.460 -4.907 316 HB2 GLN 49 1HB GLN 49 2.893 -5.570 -5.064 317 HB3 GLN 49 2HB GLN 49 2.796 -6.002 -3.362 318 HG2 GLN 49 1HG GLN 49 2.110 -7.948 -4.326 319 HG3 GLN 49 2HG GLN 49 0.559 -7.144 -4.096 320 HE21 GLN 49 1HE2 GLN 49 -0.270 -5.917 -5.957 321 HE22 GLN 49 2HE2 GLN 49 0.026 -6.536 -7.543 322 H ILE 50 H ILE 50 -1.108 -5.474 -4.175 323 HA ILE 50 HA ILE 50 -1.424 -5.724 -1.258 324 HB ILE 50 HB ILE 50 -3.624 -4.857 -3.130 325 HG12 ILE 50 1HG1 ILE 50 -2.086 -3.108 -1.205 326 HG13 ILE 50 2HG1 ILE 50 -1.736 -3.191 -2.929 327 HG21 ILE 50 1HG2 ILE 50 -4.913 -5.385 -1.396 328 HG22 ILE 50 2HG2 ILE 50 -3.513 -5.686 -0.369 329 HG23 ILE 50 3HG2 ILE 50 -4.160 -4.053 -0.520 330 HD11 ILE 50 1HD1 ILE 50 -4.434 -2.701 -2.875 331 HD12 ILE 50 2HD1 ILE 50 -3.825 -1.757 -1.515 332 HD13 ILE 50 3HD1 ILE 50 -3.164 -1.504 -3.130 333 H LEU 51 H LEU 51 -2.191 -7.622 -0.561 334 HA LEU 51 HA LEU 51 -3.275 -9.485 -2.570 335 HB2 LEU 51 1HB LEU 51 -1.715 -10.094 -0.063 336 HB3 LEU 51 2HB LEU 51 -2.404 -11.298 -1.150 337 HG LEU 51 HG LEU 51 -0.100 -9.434 -1.664 338 HD11 LEU 51 1HD1 LEU 51 -0.471 -12.368 -1.314 339 HD12 LEU 51 2HD1 LEU 51 0.781 -11.304 -0.674 340 HD13 LEU 51 3HD1 LEU 51 0.816 -11.785 -2.370 341 HD21 LEU 51 1HD2 LEU 51 -0.048 -10.249 -3.945 342 HD22 LEU 51 2HD2 LEU 51 -1.586 -9.447 -3.625 343 HD23 LEU 51 3HD2 LEU 51 -1.500 -11.209 -3.661 344 H ASP 52 H ASP 52 -5.394 -9.715 -2.341 345 HA ASP 52 HA ASP 52 -7.046 -8.886 -0.372 346 HB2 ASP 52 1HB ASP 52 -8.385 -11.120 -1.047 347 HB3 ASP 52 2HB ASP 52 -8.292 -9.705 -2.092 348 HA PRO 53 HA PRO 53 -6.600 -11.288 3.269 349 HB2 PRO 53 1HB PRO 53 -9.167 -11.713 4.043 350 HB3 PRO 53 2HB PRO 53 -8.380 -10.134 4.151 351 HG2 PRO 53 1HG PRO 53 -10.258 -11.176 2.066 352 HG3 PRO 53 2HG PRO 53 -10.220 -9.582 2.840 353 HD2 PRO 53 1HD PRO 53 -9.206 -10.025 0.369 354 HD3 PRO 53 2HD PRO 53 -8.521 -8.822 1.481 355 H GLU 54 H GLU 54 -7.539 -12.673 0.479 356 HA GLU 54 HA GLU 54 -8.147 -15.286 1.680 357 HB2 GLU 54 1HB GLU 54 -8.590 -14.188 -1.094 358 HB3 GLU 54 2HB GLU 54 -8.759 -15.896 -0.713 359 HG2 GLU 54 1HG GLU 54 -10.608 -15.531 0.661 360 HG3 GLU 54 2HG GLU 54 -10.273 -13.806 0.803 361 H GLY 55 H GLY 55 -5.884 -13.566 -0.360 362 HA2 GLY 55 1HA GLY 55 -3.553 -14.364 -0.206 363 HA3 GLY 55 2HA GLY 55 -4.192 -15.990 -0.398 364 H LYS 56 H LYS 56 -5.195 -13.130 -2.201 365 HA LYS 56 HA LYS 56 -3.914 -14.248 -4.602 366 HB2 LYS 56 1HB LYS 56 -6.659 -12.996 -4.613 367 HB3 LYS 56 2HB LYS 56 -5.863 -13.855 -5.925 368 HG2 LYS 56 1HG LYS 56 -6.549 -15.199 -3.332 369 HG3 LYS 56 2HG LYS 56 -7.699 -15.080 -4.667 370 HD2 LYS 56 1HD LYS 56 -6.065 -16.204 -6.135 371 HD3 LYS 56 2HD LYS 56 -4.972 -16.372 -4.759 372 HE2 LYS 56 1HE LYS 56 -6.891 -17.590 -3.602 373 HE3 LYS 56 2HE LYS 56 -7.652 -17.664 -5.191 374 HZ1 LYS 56 1HZ LYS 56 -6.517 -19.613 -5.212 375 HZ2 LYS 56 2HZ LYS 56 -5.283 -19.057 -4.197 376 HZ3 LYS 56 3HZ LYS 56 -5.299 -18.615 -5.830 377 HA PRO 57 HA PRO 57 -2.391 -10.190 -5.319 378 HB2 PRO 57 1HB PRO 57 -2.206 -10.199 -8.028 379 HB3 PRO 57 2HB PRO 57 -1.104 -11.108 -6.987 380 HG2 PRO 57 1HG PRO 57 -3.507 -12.064 -8.495 381 HG3 PRO 57 2HG PRO 57 -1.918 -12.832 -8.319 382 HD2 PRO 57 1HD PRO 57 -4.072 -13.593 -6.866 383 HD3 PRO 57 2HD PRO 57 -2.416 -13.674 -6.232 384 H LYS 58 H LYS 58 -3.331 -8.249 -5.355 385 HA LYS 58 HA LYS 58 -5.918 -7.972 -6.722 386 HB2 LYS 58 1HB LYS 58 -4.697 -6.378 -4.462 387 HB3 LYS 58 2HB LYS 58 -6.232 -5.993 -5.229 388 HG2 LYS 58 1HG LYS 58 -5.757 -8.686 -4.012 389 HG3 LYS 58 2HG LYS 58 -6.246 -7.308 -3.022 390 HD2 LYS 58 1HD LYS 58 -7.750 -8.175 -5.482 391 HD3 LYS 58 2HD LYS 58 -8.114 -8.790 -3.868 392 HE2 LYS 58 1HE LYS 58 -7.936 -5.849 -4.203 393 HE3 LYS 58 2HE LYS 58 -9.334 -6.659 -4.907 394 HZ1 LYS 58 1HZ LYS 58 -9.157 -5.850 -2.350 395 HZ2 LYS 58 2HZ LYS 58 -8.720 -7.478 -2.210 396 HZ3 LYS 58 3HZ LYS 58 -10.205 -7.058 -2.902 397 H LYS 59 H LYS 59 -6.243 -5.392 -7.116 398 HA LYS 59 HA LYS 59 -4.006 -4.631 -8.875 399 HB2 LYS 59 1HB LYS 59 -6.288 -5.157 -9.891 400 HB3 LYS 59 2HB LYS 59 -6.854 -3.676 -9.130 401 HG2 LYS 59 1HG LYS 59 -6.332 -3.078 -11.330 402 HG3 LYS 59 2HG LYS 59 -4.971 -2.501 -10.365 403 HD2 LYS 59 1HD LYS 59 -3.893 -3.519 -12.134 404 HD3 LYS 59 2HD LYS 59 -3.935 -4.823 -10.945 405 HE2 LYS 59 1HE LYS 59 -4.587 -5.745 -13.042 406 HE3 LYS 59 2HE LYS 59 -6.033 -5.636 -12.040 407 HZ1 LYS 59 1HZ LYS 59 -6.749 -3.725 -13.224 408 HZ2 LYS 59 2HZ LYS 59 -6.325 -4.885 -14.379 409 HZ3 LYS 59 3HZ LYS 59 -5.282 -3.593 -14.055 410 H ALA 60 H ALA 60 -2.853 -2.941 -8.243 411 HA ALA 60 HA ALA 60 -4.183 -0.832 -6.672 412 HB1 ALA 60 1HB ALA 60 -2.512 -0.745 -5.120 413 HB2 ALA 60 2HB ALA 60 -2.464 -2.465 -5.509 414 HB3 ALA 60 3HB ALA 60 -1.292 -1.364 -6.233 415 H ASN 61 H ASN 61 -3.344 1.298 -6.929 416 HA ASN 61 HA ASN 61 -1.879 1.669 -9.459 417 HB2 ASN 61 1HB ASN 61 -3.750 3.675 -8.199 418 HB3 ASN 61 2HB ASN 61 -3.101 3.683 -9.836 419 HD21 ASN 61 1HD2 ASN 61 -5.438 2.303 -7.682 420 HD22 ASN 61 2HD2 ASN 61 -6.389 1.513 -8.889 421 H ILE 62 H ILE 62 -0.281 3.259 -9.572 422 HA ILE 62 HA ILE 62 0.533 4.470 -7.018 423 HB ILE 62 HB ILE 62 2.426 3.194 -8.995 424 HG12 ILE 62 1HG1 ILE 62 2.014 2.269 -6.172 425 HG13 ILE 62 2HG1 ILE 62 0.923 1.721 -7.440 426 HG21 ILE 62 1HG2 ILE 62 2.917 5.266 -7.274 427 HG22 ILE 62 2HG2 ILE 62 3.402 3.860 -6.327 428 HG23 ILE 62 3HG2 ILE 62 4.129 4.152 -7.906 429 HD11 ILE 62 1HD1 ILE 62 3.477 0.724 -6.747 430 HD12 ILE 62 2HD1 ILE 62 2.374 0.158 -8.001 431 HD13 ILE 62 3HD1 ILE 62 3.574 1.394 -8.375 432 H ARG 63 H ARG 63 1.279 6.531 -7.128 433 HA ARG 63 HA ARG 63 1.580 7.719 -9.806 434 HB2 ARG 63 1HB ARG 63 -0.552 8.436 -8.934 435 HB3 ARG 63 2HB ARG 63 0.178 8.886 -7.399 436 HG2 ARG 63 1HG ARG 63 1.364 10.699 -8.425 437 HG3 ARG 63 2HG ARG 63 0.834 10.191 -10.029 438 HD2 ARG 63 1HD ARG 63 -0.500 12.063 -9.281 439 HD3 ARG 63 2HD ARG 63 -1.500 10.613 -9.362 440 HE ARG 63 HE ARG 63 -0.417 11.009 -6.757 441 HH11 ARG 63 1HH1 ARG 63 -2.925 12.059 -8.932 442 HH12 ARG 63 2HH1 ARG 63 -4.003 12.541 -7.664 443 HH21 ARG 63 1HH2 ARG 63 -1.827 11.641 -5.079 444 HH22 ARG 63 2HH2 ARG 63 -3.377 12.304 -5.473 445 H ASP 64 H ASP 64 3.031 9.486 -9.971 446 HA ASP 64 HA ASP 64 5.006 9.582 -7.787 447 HB2 ASP 64 1HB ASP 64 6.280 8.787 -9.516 448 HB3 ASP 64 2HB ASP 64 5.269 9.537 -10.748 449 H ASN 65 H ASN 65 5.007 11.408 -6.671 450 HA ASN 65 HA ASN 65 3.717 13.778 -7.696 451 HB2 ASN 65 1HB ASN 65 4.836 12.915 -5.070 452 HB3 ASN 65 2HB ASN 65 4.682 14.643 -5.373 453 HD21 ASN 65 1HD2 ASN 65 2.935 11.611 -5.188 454 HD22 ASN 65 2HD2 ASN 65 1.386 12.306 -4.867 455 H GLY 66 H GLY 66 7.001 12.778 -6.827 456 HA2 GLY 66 1HA GLY 66 8.961 13.529 -7.883 457 HA3 GLY 66 2HA GLY 66 8.052 14.867 -8.571 458 H ASP 67 H ASP 67 6.935 15.330 -5.762 459 HA ASP 67 HA ASP 67 9.047 17.148 -4.954 460 HB2 ASP 67 1HB ASP 67 6.148 16.841 -4.357 461 HB3 ASP 67 2HB ASP 67 7.149 17.613 -3.130 462 H GLY 68 H GLY 68 9.210 14.163 -4.586 463 HA2 GLY 68 1HA GLY 68 10.452 12.967 -3.007 464 HA3 GLY 68 2HA GLY 68 10.196 14.268 -1.854 465 H THR 69 H THR 69 7.515 12.902 -3.592 466 HA THR 69 HA THR 69 6.811 11.117 -1.407 467 HB THR 69 HB THR 69 4.630 12.110 -1.009 468 HG1 THR 69 1HG THR 69 4.475 14.390 -1.964 469 HG21 THR 69 1HG2 THR 69 6.803 12.940 0.151 470 HG22 THR 69 2HG2 THR 69 5.311 13.856 0.365 471 HG23 THR 69 3HG2 THR 69 6.531 14.413 -0.779 472 H TYR 70 H TYR 70 4.547 10.130 -1.904 473 HA TYR 70 HA TYR 70 3.951 9.948 -4.738 474 HB2 TYR 70 1HB TYR 70 4.788 7.498 -3.172 475 HB3 TYR 70 2HB TYR 70 4.216 7.518 -4.836 476 HD1 TYR 70 1HD TYR 70 6.916 8.922 -2.679 477 HD2 TYR 70 2HD TYR 70 5.756 7.646 -6.568 478 HE1 TYR 70 1HE TYR 70 9.228 9.228 -3.462 479 HE2 TYR 70 2HE TYR 70 8.065 7.947 -7.362 480 HH TYR 70 HH TYR 70 10.069 9.225 -6.750 481 H THR 71 H THR 71 2.013 8.623 -5.154 482 HA THR 71 HA THR 71 0.278 8.368 -2.791 483 HB THR 71 HB THR 71 -0.489 9.599 -5.444 484 HG1 THR 71 1HG THR 71 0.637 10.873 -3.724 485 HG21 THR 71 1HG2 THR 71 -2.358 8.311 -4.749 486 HG22 THR 71 2HG2 THR 71 -2.699 9.971 -4.261 487 HG23 THR 71 3HG2 THR 71 -2.155 8.795 -3.066 488 H VAL 72 H VAL 72 -1.161 6.673 -2.800 489 HA VAL 72 HA VAL 72 -1.273 4.966 -5.180 490 HB VAL 72 HB VAL 72 -0.595 3.965 -2.411 491 HG11 VAL 72 1HG1 VAL 72 -1.440 2.002 -3.007 492 HG12 VAL 72 2HG1 VAL 72 -1.934 2.670 -4.564 493 HG13 VAL 72 3HG1 VAL 72 -0.335 1.949 -4.380 494 HG21 VAL 72 1HG2 VAL 72 1.553 3.816 -3.043 495 HG22 VAL 72 2HG2 VAL 72 1.139 3.280 -4.672 496 HG23 VAL 72 3HG2 VAL 72 1.108 4.998 -4.275 497 H SER 73 H SER 73 -3.266 4.253 -5.598 498 HA SER 73 HA SER 73 -5.266 4.379 -3.436 499 HB2 SER 73 1HB SER 73 -6.935 5.050 -5.075 500 HB3 SER 73 2HB SER 73 -5.572 6.167 -5.138 501 HG SER 73 HG SER 73 -4.964 5.352 -7.046 502 H TYR 74 H TYR 74 -6.852 2.776 -3.382 503 HA TYR 74 HA TYR 74 -6.896 0.669 -5.344 504 HB2 TYR 74 1HB TYR 74 -6.215 -1.133 -3.883 505 HB3 TYR 74 2HB TYR 74 -4.929 0.067 -3.943 506 HD1 TYR 74 1HD TYR 74 -4.705 1.692 -2.011 507 HD2 TYR 74 2HD TYR 74 -7.186 -1.760 -1.834 508 HE1 TYR 74 1HE TYR 74 -4.716 1.834 0.444 509 HE2 TYR 74 2HE TYR 74 -7.206 -1.627 0.622 510 HH TYR 74 HH TYR 74 -5.265 0.770 2.347 511 H LEU 75 H LEU 75 -8.426 -1.127 -4.596 512 HA LEU 75 HA LEU 75 -10.508 -0.066 -2.815 513 HB2 LEU 75 1HB LEU 75 -11.304 0.416 -5.002 514 HB3 LEU 75 2HB LEU 75 -10.861 -1.188 -5.583 515 HG LEU 75 HG LEU 75 -12.635 -1.909 -3.728 516 HD11 LEU 75 1HD1 LEU 75 -14.527 -0.355 -3.735 517 HD12 LEU 75 2HD1 LEU 75 -13.557 0.819 -4.623 518 HD13 LEU 75 3HD1 LEU 75 -13.099 0.358 -2.984 519 HD21 LEU 75 1HD2 LEU 75 -12.511 -2.054 -6.386 520 HD22 LEU 75 2HD2 LEU 75 -13.850 -0.916 -6.240 521 HD23 LEU 75 3HD2 LEU 75 -13.954 -2.503 -5.477 522 HA PRO 76 HA PRO 76 -9.569 -4.267 -1.364 523 HB2 PRO 76 1HB PRO 76 -10.471 -3.817 1.156 524 HB3 PRO 76 2HB PRO 76 -8.856 -3.344 0.615 525 HG2 PRO 76 1HG PRO 76 -11.328 -1.677 0.880 526 HG3 PRO 76 2HG PRO 76 -9.660 -1.285 1.338 527 HD2 PRO 76 1HD PRO 76 -10.796 -0.378 -0.947 528 HD3 PRO 76 2HD PRO 76 -9.063 -0.743 -0.821 529 H ASP 77 H ASP 77 -11.339 -4.893 -2.855 530 HA ASP 77 HA ASP 77 -14.036 -4.710 -2.409 531 HB2 ASP 77 1HB ASP 77 -13.202 -5.727 -4.423 532 HB3 ASP 77 2HB ASP 77 -12.454 -7.036 -3.513 533 H MET 78 H MET 78 -11.980 -7.413 -1.307 534 HA MET 78 HA MET 78 -14.059 -8.378 0.443 535 HB2 MET 78 1HB MET 78 -11.227 -9.255 -0.096 536 HB3 MET 78 2HB MET 78 -12.218 -10.003 1.149 537 HG2 MET 78 1HG MET 78 -13.193 -9.802 -1.670 538 HG3 MET 78 2HG MET 78 -12.097 -11.091 -1.177 539 HE1 MET 78 1HE MET 78 -14.093 -12.953 1.548 540 HE2 MET 78 2HE MET 78 -13.046 -13.355 0.187 541 HE3 MET 78 3HE MET 78 -12.574 -12.086 1.319 542 H SER 79 H SER 79 -13.584 -8.825 2.763 543 HA SER 79 HA SER 79 -12.141 -6.549 3.951 544 HB2 SER 79 1HB SER 79 -13.671 -6.858 5.908 545 HB3 SER 79 2HB SER 79 -14.508 -6.411 4.421 546 HG SER 79 HG SER 79 -15.094 -8.415 5.918 547 H GLY 80 H GLY 80 -10.875 -6.887 5.804 548 HA2 GLY 80 1HA GLY 80 -10.394 -8.775 7.514 549 HA3 GLY 80 2HA GLY 80 -9.926 -9.657 6.068 550 H ARG 81 H ARG 81 -7.802 -9.892 6.860 551 HA ARG 81 HA ARG 81 -6.228 -7.485 7.299 552 HB2 ARG 81 1HB ARG 81 -6.105 -9.807 8.565 553 HB3 ARG 81 2HB ARG 81 -5.014 -10.211 7.246 554 HG2 ARG 81 1HG ARG 81 -4.575 -7.670 8.727 555 HG3 ARG 81 2HG ARG 81 -4.121 -9.194 9.492 556 HD2 ARG 81 1HD ARG 81 -3.193 -8.228 6.789 557 HD3 ARG 81 2HD ARG 81 -2.245 -8.194 8.276 558 HE ARG 81 HE ARG 81 -3.173 -10.819 7.680 559 HH11 ARG 81 1HH1 ARG 81 -0.761 -8.454 6.838 560 HH12 ARG 81 2HH1 ARG 81 0.395 -9.630 6.307 561 HH21 ARG 81 1HH2 ARG 81 -1.660 -12.377 6.983 562 HH22 ARG 81 2HH2 ARG 81 -0.118 -11.862 6.389 563 H TYR 82 H TYR 82 -5.588 -6.450 5.519 564 HA TYR 82 HA TYR 82 -4.979 -7.919 3.087 565 HB2 TYR 82 1HB TYR 82 -5.408 -5.051 3.791 566 HB3 TYR 82 2HB TYR 82 -4.455 -5.421 2.358 567 HD1 TYR 82 1HD TYR 82 -5.482 -6.491 0.422 568 HD2 TYR 82 2HD TYR 82 -7.781 -5.530 3.870 569 HE1 TYR 82 1HE TYR 82 -7.547 -6.810 -0.874 570 HE2 TYR 82 2HE TYR 82 -9.853 -5.848 2.584 571 HH TYR 82 HH TYR 82 -10.336 -7.401 0.226 572 H THR 83 H THR 83 -2.989 -8.136 2.174 573 HA THR 83 HA THR 83 -0.706 -7.424 3.876 574 HB THR 83 HB THR 83 -0.721 -9.342 1.541 575 HG1 THR 83 1HG THR 83 -0.960 -10.965 3.099 576 HG21 THR 83 1HG2 THR 83 1.442 -8.250 2.523 577 HG22 THR 83 2HG2 THR 83 1.404 -9.983 2.194 578 HG23 THR 83 3HG2 THR 83 1.189 -9.393 3.842 579 H ILE 84 H ILE 84 -0.101 -5.393 3.319 580 HA ILE 84 HA ILE 84 0.150 -4.694 0.494 581 HB ILE 84 HB ILE 84 0.620 -2.937 2.904 582 HG12 ILE 84 1HG1 ILE 84 -1.841 -3.063 1.152 583 HG13 ILE 84 2HG1 ILE 84 -1.717 -3.860 2.717 584 HG21 ILE 84 1HG2 ILE 84 1.212 -2.575 0.183 585 HG22 ILE 84 2HG2 ILE 84 -0.202 -1.578 0.519 586 HG23 ILE 84 3HG2 ILE 84 1.268 -1.371 1.471 587 HD11 ILE 84 1HD1 ILE 84 -1.095 -1.469 3.554 588 HD12 ILE 84 2HD1 ILE 84 -1.912 -0.964 2.075 589 HD13 ILE 84 3HD1 ILE 84 -2.778 -1.916 3.279 590 H THR 85 H THR 85 1.991 -5.293 -0.441 591 HA THR 85 HA THR 85 4.478 -5.240 1.114 592 HB THR 85 HB THR 85 4.016 -6.462 -1.612 593 HG1 THR 85 1HG THR 85 3.613 -7.423 0.984 594 HG21 THR 85 1HG2 THR 85 6.305 -6.484 0.333 595 HG22 THR 85 2HG2 THR 85 6.320 -6.110 -1.390 596 HG23 THR 85 3HG2 THR 85 6.095 -7.773 -0.851 597 H ILE 86 H ILE 86 5.499 -3.345 1.001 598 HA ILE 86 HA ILE 86 5.580 -1.947 -1.590 599 HB ILE 86 HB ILE 86 6.003 -0.816 1.179 600 HG12 ILE 86 1HG1 ILE 86 3.770 -0.189 -0.748 601 HG13 ILE 86 2HG1 ILE 86 3.637 -1.466 0.456 602 HG21 ILE 86 1HG2 ILE 86 6.132 0.435 -1.552 603 HG22 ILE 86 2HG2 ILE 86 5.902 1.378 -0.080 604 HG23 ILE 86 3HG2 ILE 86 7.369 0.423 -0.295 605 HD11 ILE 86 1HD1 ILE 86 2.661 0.810 1.029 606 HD12 ILE 86 2HD1 ILE 86 3.706 0.051 2.230 607 HD13 ILE 86 3HD1 ILE 86 4.330 1.348 1.212 608 H LYS 87 H LYS 87 7.446 -1.940 -2.640 609 HA LYS 87 HA LYS 87 9.939 -2.234 -1.100 610 HB2 LYS 87 1HB LYS 87 9.183 -3.563 -3.704 611 HB3 LYS 87 2HB LYS 87 10.831 -3.503 -3.093 612 HG2 LYS 87 1HG LYS 87 9.947 -4.626 -1.001 613 HG3 LYS 87 2HG LYS 87 8.461 -4.915 -1.909 614 HD2 LYS 87 1HD LYS 87 9.947 -5.984 -3.683 615 HD3 LYS 87 2HD LYS 87 11.227 -5.958 -2.467 616 HE2 LYS 87 1HE LYS 87 10.050 -7.417 -1.047 617 HE3 LYS 87 2HE LYS 87 8.537 -7.178 -1.919 618 HZ1 LYS 87 1HZ LYS 87 9.933 -8.183 -3.873 619 HZ2 LYS 87 2HZ LYS 87 9.181 -9.188 -2.739 620 HZ3 LYS 87 3HZ LYS 87 10.835 -8.858 -2.611 621 H TYR 88 H TYR 88 11.575 -0.882 -1.621 622 HA TYR 88 HA TYR 88 11.067 1.029 -3.801 623 HB2 TYR 88 1HB TYR 88 11.243 1.828 -1.362 624 HB3 TYR 88 2HB TYR 88 12.964 1.489 -1.507 625 HD1 TYR 88 1HD TYR 88 10.203 3.568 -2.811 626 HD2 TYR 88 2HD TYR 88 14.412 2.961 -2.690 627 HE1 TYR 88 1HE TYR 88 10.545 5.782 -3.827 628 HE2 TYR 88 2HE TYR 88 14.766 5.173 -3.705 629 HH TYR 88 HH TYR 88 12.225 6.986 -5.093 630 H GLY 89 H GLY 89 12.400 1.052 -5.492 631 HA2 GLY 89 1HA GLY 89 14.065 0.259 -6.893 632 HA3 GLY 89 2HA GLY 89 15.090 0.950 -5.644 633 H GLY 90 H GLY 90 12.990 -1.829 -5.169 634 HA2 GLY 90 1HA GLY 90 13.525 -4.099 -5.068 635 HA3 GLY 90 2HA GLY 90 15.193 -3.699 -5.452 636 H ASP 91 H ASP 91 13.319 -2.242 -2.858 637 HA ASP 91 HA ASP 91 14.708 -3.855 -0.864 638 HB2 ASP 91 1HB ASP 91 15.181 -0.958 -1.357 639 HB3 ASP 91 2HB ASP 91 15.099 -1.492 0.320 640 H GLU 92 H GLU 92 12.998 -4.654 0.189 641 HA GLU 92 HA GLU 92 10.517 -3.331 0.471 642 HB2 GLU 92 1HB GLU 92 11.141 -5.867 0.665 643 HB3 GLU 92 2HB GLU 92 11.397 -5.482 2.362 644 HG2 GLU 92 1HG GLU 92 9.134 -4.825 2.642 645 HG3 GLU 92 2HG GLU 92 8.839 -4.881 0.905 646 H ILE 93 H ILE 93 9.886 -1.814 1.851 647 HA ILE 93 HA ILE 93 11.589 -0.519 3.626 648 HB ILE 93 HB ILE 93 9.512 0.473 4.618 649 HG12 ILE 93 1HG1 ILE 93 8.131 -1.270 2.566 650 HG13 ILE 93 2HG1 ILE 93 8.067 -1.515 4.308 651 HG21 ILE 93 1HG2 ILE 93 9.723 0.457 1.610 652 HG22 ILE 93 2HG2 ILE 93 8.857 1.659 2.566 653 HG23 ILE 93 3HG2 ILE 93 10.608 1.506 2.718 654 HD11 ILE 93 1HD1 ILE 93 6.055 -0.442 3.590 655 HD12 ILE 93 2HD1 ILE 93 7.008 0.711 4.526 656 HD13 ILE 93 3HD1 ILE 93 6.969 0.821 2.766 657 HA PRO 94 HA PRO 94 11.676 -2.951 7.284 658 HB2 PRO 94 1HB PRO 94 11.941 -1.014 9.167 659 HB3 PRO 94 2HB PRO 94 13.250 -1.475 8.073 660 HG2 PRO 94 1HG PRO 94 11.359 0.840 7.895 661 HG3 PRO 94 2HG PRO 94 13.107 0.798 7.599 662 HD2 PRO 94 1HD PRO 94 11.289 0.763 5.593 663 HD3 PRO 94 2HD PRO 94 12.854 -0.066 5.477 664 H TYR 95 H TYR 95 9.073 -1.097 6.444 665 HA TYR 95 HA TYR 95 7.609 -1.666 8.930 666 HB2 TYR 95 1HB TYR 95 6.738 0.134 6.666 667 HB3 TYR 95 2HB TYR 95 6.026 0.017 8.271 668 HD1 TYR 95 2HD TYR 95 8.401 0.084 9.999 669 HD2 TYR 95 1HD TYR 95 7.509 2.322 6.493 670 HE1 TYR 95 2HE TYR 95 9.871 1.892 10.787 671 HE2 TYR 95 1HE TYR 95 8.977 4.136 7.270 672 HH TYR 95 HH TYR 95 10.178 4.925 8.989 673 H SER 96 H SER 96 8.041 -2.735 5.762 674 HA SER 96 HA SER 96 5.364 -3.894 5.563 675 HB2 SER 96 1HB SER 96 5.828 -3.164 3.447 676 HB3 SER 96 2HB SER 96 7.570 -3.341 3.654 677 HG SER 96 HG SER 96 7.359 -5.543 3.322 678 HA PRO 97 HA PRO 97 4.627 -5.601 4.082 679 HB2 PRO 97 1HB PRO 97 2.953 -7.525 5.015 680 HB3 PRO 97 2HB PRO 97 4.180 -7.835 3.781 681 HG2 PRO 97 1HG PRO 97 4.270 -8.383 6.723 682 HG3 PRO 97 2HG PRO 97 4.802 -9.408 5.377 683 HD2 PRO 97 1HD PRO 97 6.527 -7.939 6.860 684 HD3 PRO 97 2HD PRO 97 6.795 -8.276 5.138 685 H PHE 98 H PHE 98 2.891 -4.321 4.505 686 HA PHE 98 HA PHE 98 2.533 -3.442 7.243 687 HB2 PHE 98 1HB PHE 98 1.780 -2.428 4.554 688 HB3 PHE 98 2HB PHE 98 0.742 -1.965 5.898 689 HD1 PHE 98 2HD PHE 98 2.297 -1.330 8.087 690 HD2 PHE 98 1HD PHE 98 3.318 -0.841 3.984 691 HE1 PHE 98 2HE PHE 98 3.881 0.451 8.697 692 HE2 PHE 98 1HE PHE 98 4.904 0.940 4.587 693 HZ PHE 98 HZ PHE 98 5.186 1.590 6.946 694 H ARG 99 H ARG 99 1.236 -4.591 8.516 695 HA ARG 99 HA ARG 99 -0.927 -6.171 7.466 696 HB2 ARG 99 1HB ARG 99 -1.314 -6.786 9.824 697 HB3 ARG 99 2HB ARG 99 0.362 -7.013 9.343 698 HG2 ARG 99 1HG ARG 99 0.801 -4.726 10.363 699 HG3 ARG 99 2HG ARG 99 -0.802 -4.868 11.086 700 HD2 ARG 99 1HD ARG 99 -0.099 -7.004 12.119 701 HD3 ARG 99 2HD ARG 99 1.519 -6.755 11.465 702 HE ARG 99 HE ARG 99 0.377 -5.496 13.770 703 HH11 ARG 99 1HH1 ARG 99 2.702 -5.140 11.202 704 HH12 ARG 99 2HH1 ARG 99 3.698 -4.028 12.082 705 HH21 ARG 99 1HH2 ARG 99 1.681 -4.033 14.938 706 HH22 ARG 99 2HH2 ARG 99 3.117 -3.400 14.207 707 H ILE 100 H ILE 100 -2.673 -5.104 6.761 708 HA ILE 100 HA ILE 100 -3.815 -3.023 8.510 709 HB ILE 100 HB ILE 100 -4.242 -3.274 5.533 710 HG12 ILE 100 1HG1 ILE 100 -1.894 -2.723 6.045 711 HG13 ILE 100 2HG1 ILE 100 -2.729 -1.368 5.295 712 HG21 ILE 100 1HG2 ILE 100 -6.075 -2.153 6.510 713 HG22 ILE 100 2HG2 ILE 100 -5.031 -1.223 7.583 714 HG23 ILE 100 3HG2 ILE 100 -5.034 -0.890 5.851 715 HD11 ILE 100 1HD1 ILE 100 -2.262 -0.059 7.014 716 HD12 ILE 100 2HD1 ILE 100 -2.937 -1.222 8.156 717 HD13 ILE 100 3HD1 ILE 100 -1.252 -1.355 7.652 718 H HIS 101 H HIS 101 -5.985 -3.088 8.984 719 HA HIS 101 HA HIS 101 -7.360 -5.586 8.263 720 HB2 HIS 101 1HB HIS 101 -6.858 -4.823 10.734 721 HB3 HIS 101 2HB HIS 101 -8.286 -3.820 10.494 722 HD1 HIS 101 1HD HIS 101 -7.367 -7.016 11.729 723 HD2 HIS 101 2HD HIS 101 -10.553 -5.573 9.487 724 HE1 HIS 101 1HE HIS 101 -9.190 -8.731 11.970 725 HE2 HIS 101 2HE HIS 101 -11.077 -7.878 10.536 726 H ALA 102 H ALA 102 -9.366 -5.562 7.353 727 HA ALA 102 HA ALA 102 -10.452 -2.913 6.647 728 HB1 ALA 102 1HB ALA 102 -10.042 -3.628 4.557 729 HB2 ALA 102 2HB ALA 102 -9.962 -5.322 5.041 730 HB3 ALA 102 3HB ALA 102 -11.527 -4.554 4.777 731 H LEU 103 H LEU 103 -12.260 -2.469 7.711 732 HA LEU 103 HA LEU 103 -13.904 -4.622 8.774 733 HB2 LEU 103 1HB LEU 103 -14.372 -1.670 9.082 734 HB3 LEU 103 2HB LEU 103 -14.973 -2.978 10.098 735 HG LEU 103 HG LEU 103 -12.044 -2.328 9.894 736 HD11 LEU 103 1HD1 LEU 103 -13.763 -0.463 10.733 737 HD12 LEU 103 2HD1 LEU 103 -12.170 -0.695 11.454 738 HD13 LEU 103 3HD1 LEU 103 -13.597 -1.387 12.227 739 HD21 LEU 103 1HD2 LEU 103 -11.773 -3.709 11.709 740 HD22 LEU 103 2HD2 LEU 103 -13.090 -4.524 10.865 741 HD23 LEU 103 3HD2 LEU 103 -13.436 -3.498 12.258 742 HA PRO 104 HA PRO 104 -16.916 -4.448 5.567 743 HB2 PRO 104 1HB PRO 104 -19.038 -5.463 6.923 744 HB3 PRO 104 2HB PRO 104 -17.679 -6.455 6.383 745 HG2 PRO 104 1HG PRO 104 -18.222 -5.299 9.090 746 HG3 PRO 104 2HG PRO 104 -17.639 -6.918 8.661 747 HD2 PRO 104 1HD PRO 104 -15.986 -4.955 9.526 748 HD3 PRO 104 2HD PRO 104 -15.470 -6.195 8.365 749 H THR 105 H THR 105 -17.608 -2.485 4.954 750 HA THR 105 HA THR 105 -19.314 -0.957 6.807 751 HB THR 105 HB THR 105 -17.255 0.217 6.133 752 HG1 THR 105 1HG THR 105 -19.581 1.364 4.947 753 HG21 THR 105 1HG2 THR 105 -17.700 -0.917 3.656 754 HG22 THR 105 2HG2 THR 105 -16.517 0.340 4.021 755 HG23 THR 105 3HG2 THR 105 -18.110 0.779 3.405 756 H GLY 106 H GLY 106 -21.360 -0.465 6.246 757 HA2 GLY 106 1HA GLY 106 -22.757 0.194 4.218 758 HA3 GLY 106 2HA GLY 106 -22.260 -1.369 3.586 759 H ASP 107 H ASP 107 -24.859 -1.044 3.644 760 HA ASP 107 HA ASP 107 -25.728 -2.634 5.962 761 HB2 ASP 107 1HB ASP 107 -27.127 -0.271 4.710 762 HB3 ASP 107 2HB ASP 107 -27.956 -1.429 5.747 763 H ALA 108 H ALA 108 -26.676 -1.562 2.699 764 HA ALA 108 HA ALA 108 -27.866 -4.223 2.267 765 HB1 ALA 108 1HB ALA 108 -29.190 -1.926 2.077 766 HB2 ALA 108 2HB ALA 108 -28.527 -1.982 0.443 767 HB3 ALA 108 3HB ALA 108 -29.537 -3.303 1.031 768 H SER 109 H SER 109 -25.104 -3.898 2.006 769 HA SER 109 HA SER 109 -23.371 -4.300 0.587 770 HB2 SER 109 1HB SER 109 -25.157 -6.112 -0.061 771 HB3 SER 109 2HB SER 109 -25.293 -5.167 -1.544 772 HG SER 109 HG SER 109 -23.253 -6.795 -0.665 773 H SER 110 H SER 110 -24.435 -1.676 0.586 774 HA SER 110 HA SER 110 -24.866 -0.609 -1.971 775 HB2 SER 110 1HB SER 110 -24.080 0.491 0.682 776 HB3 SER 110 2HB SER 110 -23.804 1.510 -0.730 777 HG SER 110 HG SER 110 -25.837 1.995 -0.320 778 H GLY 111 H GLY 111 -21.872 -0.753 -0.039 779 HA2 GLY 111 1HA GLY 111 -19.668 -0.764 -0.680 780 HA3 GLY 111 2HA GLY 111 -20.221 -1.309 -2.256 781 HA PRO 112 HA PRO 112 -18.319 2.836 -2.882 782 HB2 PRO 112 1HB PRO 112 -17.139 2.178 -5.237 783 HB3 PRO 112 2HB PRO 112 -16.393 1.859 -3.667 784 HG2 PRO 112 1HG PRO 112 -17.911 -0.001 -5.456 785 HG3 PRO 112 2HG PRO 112 -16.414 -0.292 -4.550 786 HD2 PRO 112 1HD PRO 112 -18.832 -1.150 -3.684 787 HD3 PRO 112 2HD PRO 112 -17.535 -0.665 -2.572 788 H SER 113 H SER 113 -20.138 0.717 -5.029 789 HA SER 113 HA SER 113 -21.464 1.162 -6.854 790 HB2 SER 113 1HB SER 113 -23.266 2.822 -6.301 791 HB3 SER 113 2HB SER 113 -23.010 1.598 -5.058 792 HG SER 113 HG SER 113 -23.184 3.823 -4.298 793 H SER 114 H SER 114 -18.996 2.248 -7.323 794 HA SER 114 HA SER 114 -19.612 4.863 -8.534 795 HB2 SER 114 1HB SER 114 -17.315 5.477 -8.307 796 HB3 SER 114 2HB SER 114 -17.802 4.797 -6.755 797 HG SER 114 HG SER 114 -15.746 4.033 -7.647 798 H GLY 115 H GLY 115 -18.430 5.328 -10.569 799 HA2 GLY 115 1HA GLY 115 -17.159 3.411 -12.138 800 HA3 GLY 115 2HA GLY 115 -18.880 3.272 -12.464 Start of MODEL 5 1 H1 GLY 1 H GLY 1 23.878 3.899 -22.341 2 HA2 GLY 1 1HA GLY 1 23.012 5.481 -20.916 3 HA3 GLY 1 2HA GLY 1 21.439 4.736 -21.156 4 H SER 2 H SER 2 21.807 2.224 -20.145 5 HA SER 2 HA SER 2 21.282 2.432 -17.491 6 HB2 SER 2 1HB SER 2 22.746 0.168 -18.868 7 HB3 SER 2 2HB SER 2 22.012 0.061 -17.268 8 HG SER 2 HG SER 2 20.422 -0.640 -18.536 9 H SER 3 H SER 3 22.358 3.089 -15.761 10 HA SER 3 HA SER 3 25.058 3.885 -15.842 11 HB2 SER 3 1HB SER 3 23.192 3.414 -13.510 12 HB3 SER 3 2HB SER 3 24.802 4.114 -13.346 13 HG SER 3 HG SER 3 23.815 5.923 -13.749 14 H GLY 4 H GLY 4 26.926 2.928 -15.188 15 HA2 GLY 4 1HA GLY 4 27.390 0.271 -15.404 16 HA3 GLY 4 2HA GLY 4 28.346 1.305 -14.352 17 H SER 5 H SER 5 27.370 1.699 -12.147 18 HA SER 5 HA SER 5 25.905 -0.670 -11.201 19 HB2 SER 5 1HB SER 5 27.344 -0.767 -9.217 20 HB3 SER 5 2HB SER 5 28.302 -0.948 -10.687 21 HG SER 5 HG SER 5 29.426 0.628 -9.868 22 H SER 6 H SER 6 24.023 0.033 -10.454 23 HA SER 6 HA SER 6 23.988 2.508 -8.854 24 HB2 SER 6 1HB SER 6 21.667 2.863 -9.652 25 HB3 SER 6 2HB SER 6 22.835 2.871 -10.974 26 HG SER 6 HG SER 6 21.143 0.724 -10.208 27 H GLY 7 H GLY 7 23.119 2.397 -6.866 28 HA2 GLY 7 1HA GLY 7 21.069 0.698 -6.025 29 HA3 GLY 7 2HA GLY 7 22.589 -0.115 -5.685 30 H ALA 8 H ALA 8 21.506 3.272 -5.439 31 HA ALA 8 HA ALA 8 22.374 3.226 -2.621 32 HB1 ALA 8 1HB ALA 8 23.486 5.171 -2.849 33 HB2 ALA 8 2HB ALA 8 23.546 4.703 -4.549 34 HB3 ALA 8 3HB ALA 8 22.313 5.833 -3.989 35 H HIS 9 H HIS 9 20.225 2.636 -2.001 36 HA HIS 9 HA HIS 9 18.463 4.955 -1.804 37 HB2 HIS 9 1HB HIS 9 16.480 3.541 -2.361 38 HB3 HIS 9 2HB HIS 9 17.564 3.806 -3.723 39 HD1 HIS 9 1HD HIS 9 18.870 1.761 -4.615 40 HD2 HIS 9 2HD HIS 9 16.301 0.896 -1.468 41 HE1 HIS 9 1HE HIS 9 18.699 -0.747 -4.557 42 HE2 HIS 9 2HE HIS 9 17.072 -1.244 -2.700 43 H ASP 10 H ASP 10 17.125 4.954 0.009 44 HA ASP 10 HA ASP 10 17.560 2.751 1.915 45 HB2 ASP 10 1HB ASP 10 17.893 5.690 2.280 46 HB3 ASP 10 2HB ASP 10 17.238 4.764 3.628 47 H ALA 11 H ALA 11 15.620 1.743 1.733 48 HA ALA 11 HA ALA 11 13.136 3.004 1.376 49 HB1 ALA 11 1HB ALA 11 12.401 0.915 1.170 50 HB2 ALA 11 2HB ALA 11 14.059 0.389 1.464 51 HB3 ALA 11 3HB ALA 11 12.917 0.498 2.804 52 H SER 12 H SER 12 15.037 2.386 4.218 53 HA SER 12 HA SER 12 13.032 2.554 6.176 54 HB2 SER 12 1HB SER 12 14.816 2.961 7.751 55 HB3 SER 12 2HB SER 12 15.389 1.790 6.563 56 HG SER 12 HG SER 12 16.441 3.530 5.494 57 H LYS 13 H LYS 13 14.325 4.923 4.103 58 HA LYS 13 HA LYS 13 13.613 7.155 5.833 59 HB2 LYS 13 1HB LYS 13 14.732 7.094 3.024 60 HB3 LYS 13 2HB LYS 13 14.456 8.554 3.966 61 HG2 LYS 13 1HG LYS 13 16.224 6.357 4.979 62 HG3 LYS 13 2HG LYS 13 16.827 7.599 3.878 63 HD2 LYS 13 1HD LYS 13 16.386 9.325 5.431 64 HD3 LYS 13 2HD LYS 13 15.400 8.266 6.442 65 HE2 LYS 13 1HE LYS 13 17.332 8.243 7.652 66 HE3 LYS 13 2HE LYS 13 17.658 6.892 6.567 67 HZ1 LYS 13 1HZ LYS 13 19.493 7.969 5.990 68 HZ2 LYS 13 2HZ LYS 13 19.031 9.372 6.814 69 HZ3 LYS 13 3HZ LYS 13 18.523 9.121 5.220 70 H VAL 14 H VAL 14 11.760 5.126 4.327 71 HA VAL 14 HA VAL 14 10.094 7.050 2.878 72 HB VAL 14 HB VAL 14 9.865 4.045 3.099 73 HG11 VAL 14 1HG1 VAL 14 8.390 5.018 0.915 74 HG12 VAL 14 2HG1 VAL 14 7.773 4.268 2.389 75 HG13 VAL 14 3HG1 VAL 14 7.950 6.021 2.297 76 HG21 VAL 14 1HG2 VAL 14 10.642 3.981 0.828 77 HG22 VAL 14 2HG2 VAL 14 10.661 5.742 0.737 78 HG23 VAL 14 3HG2 VAL 14 11.799 4.902 1.789 79 H ARG 15 H ARG 15 8.401 7.970 3.818 80 HA ARG 15 HA ARG 15 7.441 6.900 6.367 81 HB2 ARG 15 1HB ARG 15 7.451 9.579 5.079 82 HB3 ARG 15 2HB ARG 15 6.112 9.211 6.157 83 HG2 ARG 15 1HG ARG 15 8.880 8.674 7.098 84 HG3 ARG 15 2HG ARG 15 8.307 10.343 7.041 85 HD2 ARG 15 1HD ARG 15 6.654 8.206 8.330 86 HD3 ARG 15 2HD ARG 15 7.984 8.960 9.209 87 HE ARG 15 HE ARG 15 6.595 11.086 8.319 88 HH11 ARG 15 1HH1 ARG 15 5.645 8.191 10.004 89 HH12 ARG 15 2HH1 ARG 15 4.321 8.947 10.827 90 HH21 ARG 15 1HH2 ARG 15 4.855 12.093 9.396 91 HH22 ARG 15 2HH2 ARG 15 3.872 11.167 10.479 92 H ALA 16 H ALA 16 5.574 5.850 6.520 93 HA ALA 16 HA ALA 16 3.690 6.020 4.261 94 HB1 ALA 16 1HB ALA 16 4.854 3.776 5.581 95 HB2 ALA 16 2HB ALA 16 3.108 3.747 5.831 96 HB3 ALA 16 3HB ALA 16 3.763 3.805 4.195 97 H SER 17 H SER 17 1.898 7.116 4.678 98 HA SER 17 HA SER 17 0.476 6.715 7.170 99 HB2 SER 17 1HB SER 17 0.381 9.041 7.802 100 HB3 SER 17 2HB SER 17 2.078 8.591 7.630 101 HG SER 17 HG SER 17 2.146 10.251 6.343 102 H GLY 18 H GLY 18 -1.710 7.428 7.094 103 HA2 GLY 18 1HA GLY 18 -3.264 8.831 5.602 104 HA3 GLY 18 2HA GLY 18 -2.677 7.767 4.332 105 HA PRO 19 HA PRO 19 -6.532 5.997 6.346 106 HB2 PRO 19 1HB PRO 19 -8.036 5.929 4.088 107 HB3 PRO 19 2HB PRO 19 -7.981 7.331 5.164 108 HG2 PRO 19 1HG PRO 19 -6.524 6.859 2.592 109 HG3 PRO 19 2HG PRO 19 -7.334 8.328 3.165 110 HD2 PRO 19 1HD PRO 19 -4.650 7.996 3.303 111 HD3 PRO 19 2HD PRO 19 -5.559 8.935 4.505 112 H GLY 20 H GLY 20 -5.193 5.366 3.103 113 HA2 GLY 20 1HA GLY 20 -6.044 2.718 2.845 114 HA3 GLY 20 2HA GLY 20 -4.636 3.405 2.050 115 H LEU 21 H LEU 21 -3.369 4.058 4.645 116 HA LEU 21 HA LEU 21 -2.413 1.349 5.259 117 HB2 LEU 21 1HB LEU 21 -1.094 4.017 5.740 118 HB3 LEU 21 2HB LEU 21 -0.391 2.442 6.101 119 HG LEU 21 HG LEU 21 -1.121 3.350 3.321 120 HD11 LEU 21 1HD1 LEU 21 1.171 3.897 2.966 121 HD12 LEU 21 2HD1 LEU 21 1.617 3.324 4.573 122 HD13 LEU 21 3HD1 LEU 21 0.629 4.774 4.397 123 HD21 LEU 21 1HD2 LEU 21 -0.040 1.448 2.554 124 HD22 LEU 21 2HD2 LEU 21 -0.897 0.860 3.979 125 HD23 LEU 21 3HD2 LEU 21 0.830 1.207 4.069 126 H ASN 22 H ASN 22 -4.826 2.510 6.410 127 HA ASN 22 HA ASN 22 -4.310 3.396 9.058 128 HB2 ASN 22 1HB ASN 22 -6.459 3.665 7.656 129 HB3 ASN 22 2HB ASN 22 -6.852 2.035 8.195 130 HD21 ASN 22 1HD2 ASN 22 -8.158 2.003 9.860 131 HD22 ASN 22 2HD2 ASN 22 -8.212 3.160 11.143 132 H ALA 23 H ALA 23 -3.697 2.264 10.773 133 HA ALA 23 HA ALA 23 -3.561 -0.627 10.621 134 HB1 ALA 23 1HB ALA 23 -1.999 1.322 11.822 135 HB2 ALA 23 2HB ALA 23 -2.790 0.506 13.171 136 HB3 ALA 23 3HB ALA 23 -1.837 -0.424 12.014 137 H SER 24 H SER 24 -5.546 1.798 12.084 138 HA SER 24 HA SER 24 -6.652 0.149 14.139 139 HB2 SER 24 1HB SER 24 -7.905 2.620 12.929 140 HB3 SER 24 2HB SER 24 -8.183 1.950 14.537 141 HG SER 24 HG SER 24 -6.742 3.516 14.911 142 H GLY 25 H GLY 25 -7.266 0.597 10.770 143 HA2 GLY 25 1HA GLY 25 -8.541 -1.452 9.923 144 HA3 GLY 25 2HA GLY 25 -9.805 -0.884 11.003 145 H ILE 26 H ILE 26 -9.288 -1.130 7.923 146 HA ILE 26 HA ILE 26 -10.203 1.583 7.235 147 HB ILE 26 HB ILE 26 -9.517 1.069 4.919 148 HG12 ILE 26 1HG1 ILE 26 -8.023 -1.324 5.928 149 HG13 ILE 26 2HG1 ILE 26 -9.707 -1.497 5.448 150 HG21 ILE 26 1HG2 ILE 26 -7.250 0.617 6.849 151 HG22 ILE 26 2HG2 ILE 26 -7.175 1.367 5.255 152 HG23 ILE 26 3HG2 ILE 26 -8.009 2.185 6.576 153 HD11 ILE 26 1HD1 ILE 26 -9.212 -1.399 3.278 154 HD12 ILE 26 2HD1 ILE 26 -8.066 -0.076 3.499 155 HD13 ILE 26 3HD1 ILE 26 -7.561 -1.739 3.796 156 HA PRO 27 HA PRO 27 -14.177 -0.038 6.247 157 HB2 PRO 27 1HB PRO 27 -15.016 1.911 4.554 158 HB3 PRO 27 2HB PRO 27 -14.909 2.139 6.303 159 HG2 PRO 27 1HG PRO 27 -12.991 2.978 4.164 160 HG3 PRO 27 2HG PRO 27 -13.548 3.882 5.584 161 HD2 PRO 27 1HD PRO 27 -11.151 2.625 5.505 162 HD3 PRO 27 2HD PRO 27 -12.089 2.798 7.002 163 H ALA 28 H ALA 28 -14.228 -1.833 5.024 164 HA ALA 28 HA ALA 28 -12.982 -2.103 2.499 165 HB1 ALA 28 1HB ALA 28 -14.890 -4.085 2.575 166 HB2 ALA 28 2HB ALA 28 -13.246 -4.203 3.203 167 HB3 ALA 28 3HB ALA 28 -14.572 -3.764 4.280 168 H SER 29 H SER 29 -14.230 -2.808 0.515 169 HA SER 29 HA SER 29 -15.625 -2.279 -1.202 170 HB2 SER 29 1HB SER 29 -17.924 -2.253 -0.773 171 HB3 SER 29 2HB SER 29 -17.282 -3.133 0.614 172 HG SER 29 HG SER 29 -17.913 -1.575 1.877 173 H LEU 30 H LEU 30 -13.854 -0.269 -0.214 174 HA LEU 30 HA LEU 30 -15.131 2.051 -1.385 175 HB2 LEU 30 1HB LEU 30 -15.697 2.244 0.991 176 HB3 LEU 30 2HB LEU 30 -13.987 2.142 1.404 177 HG LEU 30 HG LEU 30 -13.805 4.271 -0.113 178 HD11 LEU 30 1HD1 LEU 30 -15.673 5.494 -0.507 179 HD12 LEU 30 2HD1 LEU 30 -16.515 4.878 0.915 180 HD13 LEU 30 3HD1 LEU 30 -16.403 3.889 -0.541 181 HD21 LEU 30 1HD2 LEU 30 -13.641 5.489 1.805 182 HD22 LEU 30 2HD2 LEU 30 -13.647 3.869 2.501 183 HD23 LEU 30 3HD2 LEU 30 -15.127 4.829 2.486 184 HA PRO 31 HA PRO 31 -11.055 2.478 -3.013 185 HB2 PRO 31 1HB PRO 31 -11.267 5.020 -3.944 186 HB3 PRO 31 2HB PRO 31 -12.036 3.639 -4.736 187 HG2 PRO 31 1HG PRO 31 -13.225 5.658 -2.873 188 HG3 PRO 31 2HG PRO 31 -13.897 4.985 -4.370 189 HD2 PRO 31 1HD PRO 31 -14.648 4.118 -1.917 190 HD3 PRO 31 2HD PRO 31 -14.597 3.049 -3.333 191 H VAL 32 H VAL 32 -9.515 2.543 -1.460 192 HA VAL 32 HA VAL 32 -9.191 5.058 0.043 193 HB VAL 32 HB VAL 32 -9.652 2.958 1.380 194 HG11 VAL 32 1HG1 VAL 32 -6.818 2.275 0.613 195 HG12 VAL 32 2HG1 VAL 32 -7.877 1.366 1.693 196 HG13 VAL 32 3HG1 VAL 32 -8.250 1.471 -0.028 197 HG21 VAL 32 1HG2 VAL 32 -7.992 3.497 3.090 198 HG22 VAL 32 2HG2 VAL 32 -7.051 4.398 1.901 199 HG23 VAL 32 3HG2 VAL 32 -8.656 4.962 2.366 200 H GLU 33 H GLU 33 -7.204 6.044 0.112 201 HA GLU 33 HA GLU 33 -4.964 4.779 -1.278 202 HB2 GLU 33 1HB GLU 33 -4.527 6.838 -2.572 203 HB3 GLU 33 2HB GLU 33 -6.052 6.081 -3.009 204 HG2 GLU 33 1HG GLU 33 -7.311 7.764 -2.105 205 HG3 GLU 33 2HG GLU 33 -6.060 8.230 -0.954 206 H PHE 34 H PHE 34 -3.005 5.262 -0.431 207 HA PHE 34 HA PHE 34 -2.984 7.114 1.853 208 HB2 PHE 34 1HB PHE 34 -0.847 5.817 2.445 209 HB3 PHE 34 2HB PHE 34 -2.384 4.980 2.640 210 HD1 PHE 34 1HD PHE 34 -3.141 3.460 0.722 211 HD2 PHE 34 2HD PHE 34 0.845 4.886 1.163 212 HE1 PHE 34 1HE PHE 34 -2.335 1.641 -0.725 213 HE2 PHE 34 2HE PHE 34 1.658 3.069 -0.284 214 HZ PHE 34 HZ PHE 34 0.067 1.445 -1.231 215 H THR 35 H THR 35 -0.421 7.679 2.227 216 HA THR 35 HA THR 35 0.632 8.705 -0.315 217 HB THR 35 HB THR 35 0.321 10.353 2.203 218 HG1 THR 35 1HG THR 35 -1.572 10.008 0.774 219 HG21 THR 35 1HG2 THR 35 2.385 10.615 0.560 220 HG22 THR 35 2HG2 THR 35 1.568 12.019 1.247 221 HG23 THR 35 3HG2 THR 35 1.200 11.502 -0.398 222 H ILE 36 H ILE 36 2.691 8.163 -0.559 223 HA ILE 36 HA ILE 36 4.243 7.400 1.811 224 HB ILE 36 HB ILE 36 4.842 6.858 -1.099 225 HG12 ILE 36 1HG1 ILE 36 2.795 5.718 -0.140 226 HG13 ILE 36 2HG1 ILE 36 4.041 4.638 -0.754 227 HG21 ILE 36 1HG2 ILE 36 6.094 5.613 1.339 228 HG22 ILE 36 2HG2 ILE 36 6.588 5.429 -0.343 229 HG23 ILE 36 3HG2 ILE 36 6.794 6.979 0.472 230 HD11 ILE 36 1HD1 ILE 36 4.493 3.789 1.282 231 HD12 ILE 36 2HD1 ILE 36 4.188 5.316 2.111 232 HD13 ILE 36 3HD1 ILE 36 2.837 4.304 1.601 233 H ASP 37 H ASP 37 4.900 9.427 2.529 234 HA ASP 37 HA ASP 37 6.221 11.274 0.757 235 HB2 ASP 37 1HB ASP 37 6.243 11.384 3.770 236 HB3 ASP 37 2HB ASP 37 6.399 12.717 2.630 237 H ALA 38 H ALA 38 8.069 10.405 -0.065 238 HA ALA 38 HA ALA 38 10.183 9.772 1.886 239 HB1 ALA 38 1HB ALA 38 10.460 7.739 1.046 240 HB2 ALA 38 2HB ALA 38 9.046 7.997 0.022 241 HB3 ALA 38 3HB ALA 38 10.655 8.400 -0.578 242 H ARG 39 H ARG 39 11.761 11.215 1.756 243 HA ARG 39 HA ARG 39 12.139 12.724 -0.716 244 HB2 ARG 39 1HB ARG 39 13.408 13.138 1.997 245 HB3 ARG 39 2HB ARG 39 13.497 14.236 0.626 246 HG2 ARG 39 1HG ARG 39 11.834 15.259 1.761 247 HG3 ARG 39 2HG ARG 39 10.850 14.103 0.861 248 HD2 ARG 39 1HD ARG 39 10.195 14.113 3.193 249 HD3 ARG 39 2HD ARG 39 10.934 12.567 2.779 250 HE ARG 39 HE ARG 39 13.011 13.985 3.758 251 HH11 ARG 39 1HH1 ARG 39 9.812 13.319 4.958 252 HH12 ARG 39 2HH1 ARG 39 10.283 13.381 6.625 253 HH21 ARG 39 1HH2 ARG 39 13.644 14.069 5.947 254 HH22 ARG 39 2HH2 ARG 39 12.463 13.808 7.186 255 H ASP 40 H ASP 40 14.214 11.103 1.693 256 HA ASP 40 HA ASP 40 16.270 10.775 -0.368 257 HB2 ASP 40 1HB ASP 40 16.288 10.712 2.629 258 HB3 ASP 40 2HB ASP 40 17.576 9.911 1.733 259 H ALA 41 H ALA 41 13.837 9.184 -0.377 260 HA ALA 41 HA ALA 41 14.239 6.610 0.677 261 HB1 ALA 41 1HB ALA 41 12.600 5.940 -1.172 262 HB2 ALA 41 2HB ALA 41 12.051 7.114 0.025 263 HB3 ALA 41 3HB ALA 41 12.555 7.657 -1.575 264 H GLY 42 H GLY 42 15.645 8.206 -2.023 265 HA2 GLY 42 1HA GLY 42 17.711 7.199 -2.878 266 HA3 GLY 42 2HA GLY 42 16.878 5.652 -2.850 267 H GLU 43 H GLU 43 18.008 6.096 -5.140 268 HA GLU 43 HA GLU 43 16.097 7.426 -6.917 269 HB2 GLU 43 1HB GLU 43 18.435 8.039 -7.215 270 HB3 GLU 43 2HB GLU 43 18.874 6.352 -7.439 271 HG2 GLU 43 1HG GLU 43 18.788 6.993 -9.607 272 HG3 GLU 43 2HG GLU 43 17.103 6.524 -9.391 273 H GLY 44 H GLY 44 14.452 6.119 -7.445 274 HA2 GLY 44 1HA GLY 44 14.851 3.888 -9.122 275 HA3 GLY 44 2HA GLY 44 14.504 3.322 -7.495 276 H LEU 45 H LEU 45 12.568 2.361 -8.263 277 HA LEU 45 HA LEU 45 10.404 4.314 -8.680 278 HB2 LEU 45 1HB LEU 45 9.408 3.028 -10.324 279 HB3 LEU 45 2HB LEU 45 11.124 2.904 -10.705 280 HG LEU 45 HG LEU 45 10.888 0.701 -9.227 281 HD11 LEU 45 1HD1 LEU 45 8.440 1.249 -8.857 282 HD12 LEU 45 2HD1 LEU 45 8.807 -0.377 -9.431 283 HD13 LEU 45 3HD1 LEU 45 8.195 0.837 -10.554 284 HD21 LEU 45 1HD2 LEU 45 9.919 0.686 -12.070 285 HD22 LEU 45 2HD2 LEU 45 10.888 -0.524 -11.229 286 HD23 LEU 45 3HD2 LEU 45 11.596 1.036 -11.653 287 H LEU 46 H LEU 46 8.862 4.219 -7.192 288 HA LEU 46 HA LEU 46 8.907 2.326 -5.090 289 HB2 LEU 46 1HB LEU 46 8.081 4.521 -4.666 290 HB3 LEU 46 2HB LEU 46 6.864 4.370 -5.932 291 HG LEU 46 HG LEU 46 5.841 2.523 -4.500 292 HD11 LEU 46 1HD1 LEU 46 8.139 2.924 -2.995 293 HD12 LEU 46 2HD1 LEU 46 6.723 1.981 -2.535 294 HD13 LEU 46 3HD1 LEU 46 6.852 3.671 -2.049 295 HD21 LEU 46 1HD2 LEU 46 4.954 4.351 -2.845 296 HD22 LEU 46 2HD2 LEU 46 4.566 4.430 -4.563 297 HD23 LEU 46 3HD2 LEU 46 5.849 5.443 -3.901 298 H THR 47 H THR 47 7.678 0.544 -4.685 299 HA THR 47 HA THR 47 5.758 -0.276 -6.762 300 HB THR 47 HB THR 47 6.505 -2.606 -6.516 301 HG1 THR 47 1HG THR 47 8.775 -1.672 -5.109 302 HG21 THR 47 1HG2 THR 47 7.508 -1.605 -8.361 303 HG22 THR 47 2HG2 THR 47 8.893 -2.221 -7.460 304 HG23 THR 47 3HG2 THR 47 8.471 -0.511 -7.369 305 H VAL 48 H VAL 48 3.883 -1.168 -6.059 306 HA VAL 48 HA VAL 48 3.632 -1.808 -3.202 307 HB VAL 48 HB VAL 48 1.672 -0.129 -4.772 308 HG11 VAL 48 1HG1 VAL 48 0.823 -1.827 -3.004 309 HG12 VAL 48 2HG1 VAL 48 1.490 -0.682 -1.838 310 HG13 VAL 48 3HG1 VAL 48 0.231 -0.167 -2.961 311 HG21 VAL 48 1HG2 VAL 48 2.462 1.221 -2.472 312 HG22 VAL 48 2HG2 VAL 48 3.952 0.539 -3.125 313 HG23 VAL 48 3HG2 VAL 48 2.945 1.582 -4.129 314 H GLN 49 H GLN 49 2.293 -3.498 -2.717 315 HA GLN 49 HA GLN 49 0.654 -4.659 -4.838 316 HB2 GLN 49 1HB GLN 49 2.752 -5.829 -5.085 317 HB3 GLN 49 2HB GLN 49 2.827 -6.146 -3.357 318 HG2 GLN 49 1HG GLN 49 0.706 -7.476 -3.626 319 HG3 GLN 49 2HG GLN 49 0.933 -7.324 -5.368 320 HE21 GLN 49 1HE2 GLN 49 2.751 -8.311 -6.331 321 HE22 GLN 49 2HE2 GLN 49 3.564 -9.626 -5.562 322 H ILE 50 H ILE 50 -1.185 -5.603 -4.116 323 HA ILE 50 HA ILE 50 -1.502 -5.879 -1.199 324 HB ILE 50 HB ILE 50 -3.734 -5.090 -3.061 325 HG12 ILE 50 1HG1 ILE 50 -2.178 -3.213 -1.280 326 HG13 ILE 50 2HG1 ILE 50 -1.831 -3.409 -2.994 327 HG21 ILE 50 1HG2 ILE 50 -5.031 -5.281 -1.271 328 HG22 ILE 50 2HG2 ILE 50 -3.656 -5.946 -0.391 329 HG23 ILE 50 3HG2 ILE 50 -3.978 -4.213 -0.343 330 HD11 ILE 50 1HD1 ILE 50 -3.207 -1.465 -2.635 331 HD12 ILE 50 2HD1 ILE 50 -4.122 -2.691 -3.511 332 HD13 ILE 50 3HD1 ILE 50 -4.411 -2.437 -1.790 333 H LEU 51 H LEU 51 -2.183 -7.804 -0.509 334 HA LEU 51 HA LEU 51 -3.257 -9.686 -2.504 335 HB2 LEU 51 1HB LEU 51 -1.680 -10.224 0.007 336 HB3 LEU 51 2HB LEU 51 -2.395 -11.471 -1.013 337 HG LEU 51 HG LEU 51 -0.058 -9.679 -1.589 338 HD11 LEU 51 1HD1 LEU 51 -0.563 -12.610 -1.354 339 HD12 LEU 51 2HD1 LEU 51 0.723 -11.629 -0.651 340 HD13 LEU 51 3HD1 LEU 51 0.757 -12.028 -2.369 341 HD21 LEU 51 1HD2 LEU 51 -0.089 -10.465 -3.895 342 HD22 LEU 51 2HD2 LEU 51 -1.546 -9.542 -3.526 343 HD23 LEU 51 3HD2 LEU 51 -1.612 -11.303 -3.601 344 H ASP 52 H ASP 52 -5.383 -9.893 -2.297 345 HA ASP 52 HA ASP 52 -7.029 -9.091 -0.295 346 HB2 ASP 52 1HB ASP 52 -8.413 -11.260 -1.076 347 HB3 ASP 52 2HB ASP 52 -8.283 -9.803 -2.057 348 HA PRO 53 HA PRO 53 -6.638 -11.667 3.231 349 HB2 PRO 53 1HB PRO 53 -9.215 -12.070 3.985 350 HB3 PRO 53 2HB PRO 53 -8.392 -10.516 4.166 351 HG2 PRO 53 1HG PRO 53 -10.291 -11.417 2.035 352 HG3 PRO 53 2HG PRO 53 -10.218 -9.861 2.883 353 HD2 PRO 53 1HD PRO 53 -9.212 -10.212 0.393 354 HD3 PRO 53 2HD PRO 53 -8.501 -9.078 1.559 355 H GLU 54 H GLU 54 -7.602 -12.900 0.380 356 HA GLU 54 HA GLU 54 -8.276 -15.550 1.457 357 HB2 GLU 54 1HB GLU 54 -8.634 -14.376 -1.303 358 HB3 GLU 54 2HB GLU 54 -8.951 -16.059 -0.908 359 HG2 GLU 54 1HG GLU 54 -10.334 -13.690 0.329 360 HG3 GLU 54 2HG GLU 54 -10.990 -14.707 -0.952 361 H GLY 55 H GLY 55 -5.932 -13.778 -0.421 362 HA2 GLY 55 1HA GLY 55 -3.635 -14.643 -0.318 363 HA3 GLY 55 2HA GLY 55 -4.310 -16.242 -0.594 364 H LYS 56 H LYS 56 -5.209 -13.264 -2.259 365 HA LYS 56 HA LYS 56 -3.909 -14.268 -4.694 366 HB2 LYS 56 1HB LYS 56 -6.672 -13.060 -4.711 367 HB3 LYS 56 2HB LYS 56 -5.840 -13.873 -6.030 368 HG2 LYS 56 1HG LYS 56 -6.603 -15.276 -3.486 369 HG3 LYS 56 2HG LYS 56 -7.676 -15.170 -4.884 370 HD2 LYS 56 1HD LYS 56 -5.768 -16.158 -6.237 371 HD3 LYS 56 2HD LYS 56 -4.988 -16.511 -4.694 372 HE2 LYS 56 1HE LYS 56 -7.032 -17.774 -4.032 373 HE3 LYS 56 2HE LYS 56 -7.657 -17.526 -5.662 374 HZ1 LYS 56 1HZ LYS 56 -5.514 -19.277 -4.740 375 HZ2 LYS 56 2HZ LYS 56 -5.312 -18.556 -6.256 376 HZ3 LYS 56 3HZ LYS 56 -6.666 -19.524 -5.954 377 HA PRO 57 HA PRO 57 -2.461 -10.153 -5.206 378 HB2 PRO 57 1HB PRO 57 -2.251 -10.027 -7.909 379 HB3 PRO 57 2HB PRO 57 -1.141 -10.965 -6.902 380 HG2 PRO 57 1HG PRO 57 -3.511 -11.891 -8.479 381 HG3 PRO 57 2HG PRO 57 -1.910 -12.636 -8.324 382 HD2 PRO 57 1HD PRO 57 -4.063 -13.507 -6.932 383 HD3 PRO 57 2HD PRO 57 -2.411 -13.588 -6.286 384 H LYS 58 H LYS 58 -3.320 -8.158 -5.335 385 HA LYS 58 HA LYS 58 -5.969 -7.897 -6.587 386 HB2 LYS 58 1HB LYS 58 -4.660 -6.325 -4.364 387 HB3 LYS 58 2HB LYS 58 -6.189 -5.874 -5.107 388 HG2 LYS 58 1HG LYS 58 -5.704 -8.522 -3.764 389 HG3 LYS 58 2HG LYS 58 -6.386 -7.112 -2.949 390 HD2 LYS 58 1HD LYS 58 -7.566 -8.324 -5.443 391 HD3 LYS 58 2HD LYS 58 -8.066 -8.775 -3.812 392 HE2 LYS 58 1HE LYS 58 -8.320 -6.150 -3.564 393 HE3 LYS 58 2HE LYS 58 -8.510 -6.247 -5.314 394 HZ1 LYS 58 1HZ LYS 58 -10.368 -7.664 -5.077 395 HZ2 LYS 58 2HZ LYS 58 -10.613 -6.386 -3.997 396 HZ3 LYS 58 3HZ LYS 58 -10.095 -7.890 -3.423 397 H LYS 59 H LYS 59 -6.289 -5.304 -6.971 398 HA LYS 59 HA LYS 59 -4.092 -4.545 -8.782 399 HB2 LYS 59 1HB LYS 59 -6.305 -5.162 -9.838 400 HB3 LYS 59 2HB LYS 59 -6.990 -3.743 -9.056 401 HG2 LYS 59 1HG LYS 59 -5.069 -2.474 -10.252 402 HG3 LYS 59 2HG LYS 59 -5.011 -3.904 -11.285 403 HD2 LYS 59 1HD LYS 59 -7.589 -2.466 -10.740 404 HD3 LYS 59 2HD LYS 59 -6.495 -1.943 -12.023 405 HE2 LYS 59 1HE LYS 59 -6.594 -4.509 -12.655 406 HE3 LYS 59 2HE LYS 59 -8.134 -4.417 -11.802 407 HZ1 LYS 59 1HZ LYS 59 -7.777 -2.252 -13.633 408 HZ2 LYS 59 2HZ LYS 59 -9.061 -3.344 -13.495 409 HZ3 LYS 59 3HZ LYS 59 -7.698 -3.752 -14.410 410 H ALA 60 H ALA 60 -2.988 -2.819 -8.159 411 HA ALA 60 HA ALA 60 -4.399 -0.697 -6.682 412 HB1 ALA 60 1HB ALA 60 -2.609 -0.410 -5.189 413 HB2 ALA 60 2HB ALA 60 -2.864 -2.154 -5.271 414 HB3 ALA 60 3HB ALA 60 -1.530 -1.415 -6.157 415 H ASN 61 H ASN 61 -3.319 1.429 -6.813 416 HA ASN 61 HA ASN 61 -1.897 1.759 -9.373 417 HB2 ASN 61 1HB ASN 61 -3.768 3.784 -8.137 418 HB3 ASN 61 2HB ASN 61 -3.060 3.823 -9.749 419 HD21 ASN 61 1HD2 ASN 61 -5.184 1.900 -7.679 420 HD22 ASN 61 2HD2 ASN 61 -6.214 1.348 -8.950 421 H ILE 62 H ILE 62 -0.169 3.145 -9.440 422 HA ILE 62 HA ILE 62 0.617 4.400 -6.892 423 HB ILE 62 HB ILE 62 2.456 3.037 -8.863 424 HG12 ILE 62 1HG1 ILE 62 2.170 2.227 -6.001 425 HG13 ILE 62 2HG1 ILE 62 0.931 1.720 -7.144 426 HG21 ILE 62 1HG2 ILE 62 3.673 4.835 -7.991 427 HG22 ILE 62 2HG2 ILE 62 2.969 4.649 -6.386 428 HG23 ILE 62 3HG2 ILE 62 4.133 3.465 -6.981 429 HD11 ILE 62 1HD1 ILE 62 3.875 1.132 -7.329 430 HD12 ILE 62 2HD1 ILE 62 2.598 -0.002 -6.890 431 HD13 ILE 62 3HD1 ILE 62 2.664 0.663 -8.521 432 H ARG 63 H ARG 63 1.514 6.419 -6.991 433 HA ARG 63 HA ARG 63 1.948 7.603 -9.641 434 HB2 ARG 63 1HB ARG 63 -0.304 8.249 -8.960 435 HB3 ARG 63 2HB ARG 63 0.309 8.834 -7.419 436 HG2 ARG 63 1HG ARG 63 1.569 10.572 -8.554 437 HG3 ARG 63 2HG ARG 63 1.017 9.967 -10.117 438 HD2 ARG 63 1HD ARG 63 -0.950 10.766 -8.006 439 HD3 ARG 63 2HD ARG 63 -0.198 11.983 -9.036 440 HE ARG 63 HE ARG 63 -2.267 10.165 -9.767 441 HH11 ARG 63 1HH1 ARG 63 0.505 11.884 -10.985 442 HH12 ARG 63 2HH1 ARG 63 -0.069 11.913 -12.619 443 HH21 ARG 63 1HH2 ARG 63 -3.033 10.197 -11.915 444 HH22 ARG 63 2HH2 ARG 63 -2.081 10.954 -13.147 445 H ASP 64 H ASP 64 3.537 9.159 -9.744 446 HA ASP 64 HA ASP 64 5.124 9.505 -7.288 447 HB2 ASP 64 1HB ASP 64 7.030 9.966 -8.881 448 HB3 ASP 64 2HB ASP 64 6.414 8.316 -8.906 449 H ASN 65 H ASN 65 5.161 11.469 -6.435 450 HA ASN 65 HA ASN 65 3.959 13.696 -7.766 451 HB2 ASN 65 1HB ASN 65 5.202 13.217 -5.094 452 HB3 ASN 65 2HB ASN 65 5.014 14.881 -5.640 453 HD21 ASN 65 1HD2 ASN 65 3.140 11.869 -5.507 454 HD22 ASN 65 2HD2 ASN 65 1.667 12.611 -4.993 455 H GLY 66 H GLY 66 7.275 12.871 -6.792 456 HA2 GLY 66 1HA GLY 66 9.159 13.395 -8.159 457 HA3 GLY 66 2HA GLY 66 8.247 14.729 -8.850 458 H ASP 67 H ASP 67 7.377 15.412 -6.008 459 HA ASP 67 HA ASP 67 9.582 17.211 -5.489 460 HB2 ASP 67 1HB ASP 67 7.556 18.308 -5.206 461 HB3 ASP 67 2HB ASP 67 6.790 16.914 -4.449 462 H GLY 68 H GLY 68 8.609 14.135 -4.444 463 HA2 GLY 68 1HA GLY 68 10.494 13.081 -3.110 464 HA3 GLY 68 2HA GLY 68 10.207 14.392 -1.975 465 H THR 69 H THR 69 7.519 12.961 -3.621 466 HA THR 69 HA THR 69 6.927 11.164 -1.407 467 HB THR 69 HB THR 69 4.714 12.094 -0.994 468 HG1 THR 69 1HG THR 69 4.503 13.063 -3.133 469 HG21 THR 69 1HG2 THR 69 5.384 13.790 0.411 470 HG22 THR 69 2HG2 THR 69 6.486 14.485 -0.777 471 HG23 THR 69 3HG2 THR 69 6.932 13.013 0.085 472 H TYR 70 H TYR 70 4.638 10.150 -1.853 473 HA TYR 70 HA TYR 70 4.076 9.859 -4.691 474 HB2 TYR 70 1HB TYR 70 4.762 7.445 -3.006 475 HB3 TYR 70 2HB TYR 70 4.340 7.455 -4.714 476 HD1 TYR 70 1HD TYR 70 6.900 8.701 -2.316 477 HD2 TYR 70 2HD TYR 70 6.013 7.620 -6.334 478 HE1 TYR 70 1HE TYR 70 9.280 8.924 -2.895 479 HE2 TYR 70 2HE TYR 70 8.391 7.839 -6.924 480 HH TYR 70 HH TYR 70 10.706 9.215 -4.742 481 H THR 71 H THR 71 2.125 8.536 -5.079 482 HA THR 71 HA THR 71 0.336 8.430 -2.746 483 HB THR 71 HB THR 71 -0.427 9.497 -5.471 484 HG1 THR 71 1HG THR 71 0.697 11.073 -4.361 485 HG21 THR 71 1HG2 THR 71 -2.028 8.266 -3.552 486 HG22 THR 71 2HG2 THR 71 -2.572 9.280 -4.889 487 HG23 THR 71 3HG2 THR 71 -2.278 9.993 -3.303 488 H VAL 72 H VAL 72 -0.916 6.651 -2.605 489 HA VAL 72 HA VAL 72 -1.080 4.878 -4.948 490 HB VAL 72 HB VAL 72 -0.484 4.024 -2.113 491 HG11 VAL 72 1HG1 VAL 72 -1.783 2.275 -2.801 492 HG12 VAL 72 2HG1 VAL 72 -1.408 2.523 -4.508 493 HG13 VAL 72 3HG1 VAL 72 -0.225 1.759 -3.446 494 HG21 VAL 72 1HG2 VAL 72 1.569 3.068 -3.193 495 HG22 VAL 72 2HG2 VAL 72 1.139 3.964 -4.651 496 HG23 VAL 72 3HG2 VAL 72 1.501 4.830 -3.158 497 H SER 73 H SER 73 -3.058 4.111 -5.372 498 HA SER 73 HA SER 73 -5.116 4.338 -3.276 499 HB2 SER 73 1HB SER 73 -6.717 5.127 -4.869 500 HB3 SER 73 2HB SER 73 -5.272 6.116 -5.074 501 HG SER 73 HG SER 73 -6.492 4.868 -6.951 502 H TYR 74 H TYR 74 -6.676 2.734 -3.203 503 HA TYR 74 HA TYR 74 -6.771 0.651 -5.188 504 HB2 TYR 74 1HB TYR 74 -6.062 -1.172 -3.784 505 HB3 TYR 74 2HB TYR 74 -4.781 0.035 -3.804 506 HD1 TYR 74 1HD TYR 74 -4.368 1.440 -1.818 507 HD2 TYR 74 2HD TYR 74 -7.236 -1.703 -1.763 508 HE1 TYR 74 1HE TYR 74 -4.385 1.507 0.640 509 HE2 TYR 74 2HE TYR 74 -7.262 -1.643 0.696 510 HH TYR 74 HH TYR 74 -5.078 -0.510 2.531 511 H LEU 75 H LEU 75 -8.443 -0.950 -4.721 512 HA LEU 75 HA LEU 75 -10.433 0.028 -2.781 513 HB2 LEU 75 1HB LEU 75 -11.174 0.600 -4.995 514 HB3 LEU 75 2HB LEU 75 -10.878 -1.043 -5.562 515 HG LEU 75 HG LEU 75 -12.673 -1.647 -3.733 516 HD11 LEU 75 1HD1 LEU 75 -13.706 0.059 -2.770 517 HD12 LEU 75 2HD1 LEU 75 -14.223 0.644 -4.352 518 HD13 LEU 75 3HD1 LEU 75 -12.693 1.192 -3.666 519 HD21 LEU 75 1HD2 LEU 75 -13.921 -0.381 -6.089 520 HD22 LEU 75 2HD2 LEU 75 -14.070 -2.025 -5.467 521 HD23 LEU 75 3HD2 LEU 75 -12.657 -1.567 -6.419 522 HA PRO 76 HA PRO 76 -9.602 -4.245 -1.490 523 HB2 PRO 76 1HB PRO 76 -10.486 -3.866 1.048 524 HB3 PRO 76 2HB PRO 76 -8.861 -3.414 0.520 525 HG2 PRO 76 1HG PRO 76 -11.291 -1.697 0.854 526 HG3 PRO 76 2HG PRO 76 -9.613 -1.364 1.320 527 HD2 PRO 76 1HD PRO 76 -10.730 -0.346 -0.927 528 HD3 PRO 76 2HD PRO 76 -9.007 -0.757 -0.820 529 H ASP 77 H ASP 77 -11.348 -4.876 -2.951 530 HA ASP 77 HA ASP 77 -14.063 -4.613 -2.461 531 HB2 ASP 77 1HB ASP 77 -12.743 -5.689 -4.465 532 HB3 ASP 77 2HB ASP 77 -13.002 -7.184 -3.570 533 H MET 78 H MET 78 -11.982 -7.367 -1.556 534 HA MET 78 HA MET 78 -14.027 -8.551 0.066 535 HB2 MET 78 1HB MET 78 -11.107 -9.149 -0.364 536 HB3 MET 78 2HB MET 78 -12.071 -10.033 0.811 537 HG2 MET 78 1HG MET 78 -12.722 -9.834 -2.119 538 HG3 MET 78 2HG MET 78 -11.846 -11.170 -1.374 539 HE1 MET 78 1HE MET 78 -14.767 -9.381 -2.209 540 HE2 MET 78 2HE MET 78 -15.875 -10.742 -2.385 541 HE3 MET 78 3HE MET 78 -15.987 -9.690 -0.973 542 H SER 79 H SER 79 -13.616 -9.096 2.387 543 HA SER 79 HA SER 79 -12.425 -6.781 3.769 544 HB2 SER 79 1HB SER 79 -14.718 -8.514 4.720 545 HB3 SER 79 2HB SER 79 -14.082 -7.083 5.530 546 HG SER 79 HG SER 79 -15.954 -6.619 4.292 547 H GLY 80 H GLY 80 -11.050 -7.124 5.457 548 HA2 GLY 80 1HA GLY 80 -10.617 -8.995 7.233 549 HA3 GLY 80 2HA GLY 80 -10.129 -9.887 5.800 550 H ARG 81 H ARG 81 -8.091 -9.997 7.092 551 HA ARG 81 HA ARG 81 -6.524 -7.595 7.316 552 HB2 ARG 81 1HB ARG 81 -6.449 -9.840 8.715 553 HB3 ARG 81 2HB ARG 81 -5.297 -10.312 7.472 554 HG2 ARG 81 1HG ARG 81 -3.973 -9.439 9.170 555 HG3 ARG 81 2HG ARG 81 -4.101 -8.114 8.011 556 HD2 ARG 81 1HD ARG 81 -4.541 -6.997 9.960 557 HD3 ARG 81 2HD ARG 81 -6.175 -7.459 9.487 558 HE ARG 81 HE ARG 81 -6.280 -8.828 11.318 559 HH11 ARG 81 1HH1 ARG 81 -2.962 -7.949 10.738 560 HH12 ARG 81 2HH1 ARG 81 -2.382 -8.650 12.212 561 HH21 ARG 81 1HH2 ARG 81 -5.528 -9.754 13.263 562 HH22 ARG 81 2HH2 ARG 81 -3.842 -9.677 13.647 563 H TYR 82 H TYR 82 -5.803 -6.653 5.516 564 HA TYR 82 HA TYR 82 -5.061 -8.253 3.204 565 HB2 TYR 82 1HB TYR 82 -5.538 -5.346 3.711 566 HB3 TYR 82 2HB TYR 82 -4.551 -5.813 2.330 567 HD1 TYR 82 2HD TYR 82 -7.887 -6.323 3.886 568 HD2 TYR 82 1HD TYR 82 -5.556 -6.518 0.332 569 HE1 TYR 82 2HE TYR 82 -9.928 -6.737 2.577 570 HE2 TYR 82 1HE TYR 82 -7.590 -6.932 -0.987 571 HH TYR 82 HH TYR 82 -10.726 -6.516 0.293 572 H THR 83 H THR 83 -3.016 -8.098 2.172 573 HA THR 83 HA THR 83 -0.830 -7.380 4.014 574 HB THR 83 HB THR 83 -0.682 -9.406 1.778 575 HG1 THR 83 1HG THR 83 -2.121 -9.851 3.717 576 HG21 THR 83 1HG2 THR 83 1.358 -10.126 2.933 577 HG22 THR 83 2HG2 THR 83 1.136 -8.846 4.126 578 HG23 THR 83 3HG2 THR 83 1.464 -8.436 2.442 579 H ILE 84 H ILE 84 -0.243 -5.369 3.387 580 HA ILE 84 HA ILE 84 0.068 -4.782 0.542 581 HB ILE 84 HB ILE 84 0.365 -2.950 2.926 582 HG12 ILE 84 1HG1 ILE 84 -1.902 -3.130 0.933 583 HG13 ILE 84 2HG1 ILE 84 -1.941 -3.861 2.533 584 HG21 ILE 84 1HG2 ILE 84 0.372 -2.422 -0.038 585 HG22 ILE 84 2HG2 ILE 84 0.167 -1.163 1.179 586 HG23 ILE 84 3HG2 ILE 84 1.661 -2.097 1.120 587 HD11 ILE 84 1HD1 ILE 84 -3.114 -1.823 2.681 588 HD12 ILE 84 2HD1 ILE 84 -1.557 -1.558 3.466 589 HD13 ILE 84 3HD1 ILE 84 -1.840 -0.944 1.837 590 H THR 85 H THR 85 1.954 -5.178 -0.387 591 HA THR 85 HA THR 85 4.395 -5.114 1.250 592 HB THR 85 HB THR 85 3.987 -6.359 -1.477 593 HG1 THR 85 1HG THR 85 4.437 -7.830 0.880 594 HG21 THR 85 1HG2 THR 85 6.308 -6.355 0.446 595 HG22 THR 85 2HG2 THR 85 6.284 -5.795 -1.226 596 HG23 THR 85 3HG2 THR 85 6.149 -7.516 -0.870 597 H ILE 86 H ILE 86 5.277 -3.137 1.190 598 HA ILE 86 HA ILE 86 5.370 -1.708 -1.376 599 HB ILE 86 HB ILE 86 5.823 -0.675 1.426 600 HG12 ILE 86 1HG1 ILE 86 3.588 -0.038 -0.505 601 HG13 ILE 86 2HG1 ILE 86 3.459 -1.255 0.760 602 HG21 ILE 86 1HG2 ILE 86 7.205 0.476 -0.255 603 HG22 ILE 86 2HG2 ILE 86 5.749 0.844 -1.177 604 HG23 ILE 86 3HG2 ILE 86 5.969 1.530 0.432 605 HD11 ILE 86 1HD1 ILE 86 4.093 1.634 1.288 606 HD12 ILE 86 2HD1 ILE 86 2.464 0.958 1.318 607 HD13 ILE 86 3HD1 ILE 86 3.677 0.387 2.463 608 H LYS 87 H LYS 87 7.201 -1.765 -2.480 609 HA LYS 87 HA LYS 87 9.739 -2.003 -1.004 610 HB2 LYS 87 1HB LYS 87 8.796 -3.491 -3.435 611 HB3 LYS 87 2HB LYS 87 10.515 -3.228 -3.166 612 HG2 LYS 87 1HG LYS 87 10.381 -4.386 -1.036 613 HG3 LYS 87 2HG LYS 87 8.643 -4.610 -1.252 614 HD2 LYS 87 1HD LYS 87 8.990 -6.040 -3.134 615 HD3 LYS 87 2HD LYS 87 10.714 -5.661 -3.174 616 HE2 LYS 87 1HE LYS 87 10.838 -6.656 -0.845 617 HE3 LYS 87 2HE LYS 87 9.207 -7.263 -1.121 618 HZ1 LYS 87 1HZ LYS 87 9.928 -8.672 -2.795 619 HZ2 LYS 87 2HZ LYS 87 11.174 -8.784 -1.656 620 HZ3 LYS 87 3HZ LYS 87 11.376 -7.831 -3.040 621 H TYR 88 H TYR 88 11.361 -0.665 -1.615 622 HA TYR 88 HA TYR 88 10.759 1.220 -3.793 623 HB2 TYR 88 1HB TYR 88 11.043 2.075 -1.405 624 HB3 TYR 88 2HB TYR 88 12.747 1.664 -1.568 625 HD1 TYR 88 1HD TYR 88 10.047 3.776 -2.978 626 HD2 TYR 88 2HD TYR 88 14.238 3.103 -2.697 627 HE1 TYR 88 1HE TYR 88 10.461 5.953 -4.045 628 HE2 TYR 88 2HE TYR 88 14.665 5.279 -3.762 629 HH TYR 88 HH TYR 88 12.970 7.630 -3.889 630 H GLY 89 H GLY 89 11.955 1.127 -5.572 631 HA2 GLY 89 1HA GLY 89 13.528 0.237 -7.033 632 HA3 GLY 89 2HA GLY 89 14.609 1.090 -5.941 633 H GLY 90 H GLY 90 12.706 -1.709 -5.011 634 HA2 GLY 90 1HA GLY 90 13.383 -3.948 -4.809 635 HA3 GLY 90 2HA GLY 90 15.011 -3.474 -5.270 636 H ASP 91 H ASP 91 13.019 -2.061 -2.718 637 HA ASP 91 HA ASP 91 14.642 -3.353 -0.671 638 HB2 ASP 91 1HB ASP 91 15.632 -1.062 -1.474 639 HB3 ASP 91 2HB ASP 91 14.333 -0.377 -0.501 640 H GLU 92 H GLU 92 13.049 -4.303 0.445 641 HA GLU 92 HA GLU 92 10.439 -3.249 0.730 642 HB2 GLU 92 1HB GLU 92 11.006 -5.663 0.901 643 HB3 GLU 92 2HB GLU 92 11.807 -5.339 2.432 644 HG2 GLU 92 1HG GLU 92 9.469 -4.315 3.060 645 HG3 GLU 92 2HG GLU 92 8.910 -5.385 1.776 646 H ILE 93 H ILE 93 9.724 -1.700 2.026 647 HA ILE 93 HA ILE 93 11.332 -0.242 3.772 648 HB ILE 93 HB ILE 93 9.185 0.677 4.685 649 HG12 ILE 93 1HG1 ILE 93 7.948 -1.214 2.672 650 HG13 ILE 93 2HG1 ILE 93 7.844 -1.383 4.421 651 HG21 ILE 93 1HG2 ILE 93 8.986 2.068 2.911 652 HG22 ILE 93 2HG2 ILE 93 10.431 1.211 2.377 653 HG23 ILE 93 3HG2 ILE 93 8.849 0.747 1.751 654 HD11 ILE 93 1HD1 ILE 93 6.591 0.695 2.665 655 HD12 ILE 93 2HD1 ILE 93 5.813 -0.434 3.774 656 HD13 ILE 93 3HD1 ILE 93 6.754 0.915 4.407 657 HA PRO 94 HA PRO 94 11.462 -2.530 7.520 658 HB2 PRO 94 1HB PRO 94 11.596 -0.514 9.332 659 HB3 PRO 94 2HB PRO 94 12.948 -0.952 8.281 660 HG2 PRO 94 1HG PRO 94 10.954 1.261 7.980 661 HG3 PRO 94 2HG PRO 94 12.707 1.292 7.718 662 HD2 PRO 94 1HD PRO 94 10.933 1.094 5.682 663 HD3 PRO 94 2HD PRO 94 12.539 0.338 5.627 664 H TYR 95 H TYR 95 8.784 -0.892 6.541 665 HA TYR 95 HA TYR 95 7.299 -1.448 9.021 666 HB2 TYR 95 1HB TYR 95 6.562 0.368 6.716 667 HB3 TYR 95 2HB TYR 95 5.592 0.108 8.161 668 HD1 TYR 95 1HD TYR 95 8.958 1.293 7.081 669 HD2 TYR 95 2HD TYR 95 5.872 1.500 10.004 670 HE1 TYR 95 1HE TYR 95 10.153 3.126 8.205 671 HE2 TYR 95 2HE TYR 95 7.058 3.334 11.135 672 HH TYR 95 HH TYR 95 10.067 4.667 9.814 673 H SER 96 H SER 96 7.859 -2.564 5.902 674 HA SER 96 HA SER 96 5.227 -3.810 5.637 675 HB2 SER 96 1HB SER 96 5.749 -3.099 3.524 676 HB3 SER 96 2HB SER 96 7.486 -3.241 3.790 677 HG SER 96 HG SER 96 7.419 -5.326 3.262 678 HA PRO 97 HA PRO 97 4.585 -5.571 4.182 679 HB2 PRO 97 1HB PRO 97 2.942 -7.521 5.113 680 HB3 PRO 97 2HB PRO 97 4.214 -7.823 3.923 681 HG2 PRO 97 1HG PRO 97 4.233 -8.299 6.879 682 HG3 PRO 97 2HG PRO 97 4.835 -9.339 5.574 683 HD2 PRO 97 1HD PRO 97 6.471 -7.784 7.070 684 HD3 PRO 97 2HD PRO 97 6.800 -8.153 5.365 685 H PHE 98 H PHE 98 2.781 -4.354 4.522 686 HA PHE 98 HA PHE 98 2.332 -3.396 7.218 687 HB2 PHE 98 1HB PHE 98 1.595 -2.513 4.481 688 HB3 PHE 98 2HB PHE 98 0.499 -2.056 5.781 689 HD1 PHE 98 2HD PHE 98 1.925 -1.239 7.977 690 HD2 PHE 98 1HD PHE 98 3.104 -0.904 3.901 691 HE1 PHE 98 2HE PHE 98 3.403 0.638 8.563 692 HE2 PHE 98 1HE PHE 98 4.585 0.974 4.481 693 HZ PHE 98 HZ PHE 98 4.735 1.748 6.814 694 H ARG 99 H ARG 99 1.011 -4.458 8.530 695 HA ARG 99 HA ARG 99 -1.047 -6.203 7.504 696 HB2 ARG 99 1HB ARG 99 -0.093 -5.516 10.278 697 HB3 ARG 99 2HB ARG 99 -1.502 -6.532 10.001 698 HG2 ARG 99 1HG ARG 99 0.122 -8.117 10.233 699 HG3 ARG 99 2HG ARG 99 0.156 -7.880 8.484 700 HD2 ARG 99 1HD ARG 99 2.408 -7.848 9.146 701 HD3 ARG 99 2HD ARG 99 1.975 -6.154 8.915 702 HE ARG 99 HE ARG 99 1.536 -6.761 11.591 703 HH11 ARG 99 1HH1 ARG 99 4.207 -6.600 9.364 704 HH12 ARG 99 2HH1 ARG 99 5.368 -6.190 10.582 705 HH21 ARG 99 1HH2 ARG 99 3.055 -6.221 13.204 706 HH22 ARG 99 2HH2 ARG 99 4.712 -5.975 12.767 707 H ILE 100 H ILE 100 -2.784 -5.185 6.689 708 HA ILE 100 HA ILE 100 -4.045 -3.089 8.332 709 HB ILE 100 HB ILE 100 -4.427 -3.514 5.369 710 HG12 ILE 100 1HG1 ILE 100 -2.090 -2.839 5.993 711 HG13 ILE 100 2HG1 ILE 100 -2.936 -1.669 4.986 712 HG21 ILE 100 1HG2 ILE 100 -5.403 -1.249 5.465 713 HG22 ILE 100 2HG2 ILE 100 -6.301 -2.421 6.427 714 HG23 ILE 100 3HG2 ILE 100 -5.223 -1.271 7.219 715 HD11 ILE 100 1HD1 ILE 100 -3.059 -1.320 7.928 716 HD12 ILE 100 2HD1 ILE 100 -1.548 -0.942 7.100 717 HD13 ILE 100 3HD1 ILE 100 -3.036 -0.115 6.641 718 H HIS 101 H HIS 101 -6.162 -3.273 8.891 719 HA HIS 101 HA HIS 101 -7.495 -5.791 8.146 720 HB2 HIS 101 1HB HIS 101 -6.880 -5.141 10.626 721 HB3 HIS 101 2HB HIS 101 -8.346 -4.171 10.513 722 HD1 HIS 101 1HD HIS 101 -7.363 -7.287 11.726 723 HD2 HIS 101 2HD HIS 101 -10.525 -6.048 9.333 724 HE1 HIS 101 1HE HIS 101 -9.100 -9.095 11.919 725 HE2 HIS 101 2HE HIS 101 -10.969 -8.364 10.396 726 H ALA 102 H ALA 102 -9.224 -5.653 6.888 727 HA ALA 102 HA ALA 102 -10.497 -3.040 6.514 728 HB1 ALA 102 1HB ALA 102 -11.454 -5.126 4.755 729 HB2 ALA 102 2HB ALA 102 -10.692 -3.583 4.366 730 HB3 ALA 102 3HB ALA 102 -9.695 -4.996 4.713 731 H LEU 103 H LEU 103 -12.288 -2.636 7.619 732 HA LEU 103 HA LEU 103 -13.864 -4.825 8.707 733 HB2 LEU 103 1HB LEU 103 -14.326 -1.872 9.049 734 HB3 LEU 103 2HB LEU 103 -14.957 -3.183 10.044 735 HG LEU 103 HG LEU 103 -12.033 -2.473 9.863 736 HD11 LEU 103 1HD1 LEU 103 -13.700 -0.725 10.845 737 HD12 LEU 103 2HD1 LEU 103 -12.215 -1.117 11.711 738 HD13 LEU 103 3HD1 LEU 103 -13.746 -1.830 12.219 739 HD21 LEU 103 1HD2 LEU 103 -12.979 -4.807 10.619 740 HD22 LEU 103 2HD2 LEU 103 -13.315 -3.939 12.117 741 HD23 LEU 103 3HD2 LEU 103 -11.664 -4.031 11.501 742 HA PRO 104 HA PRO 104 -16.942 -4.680 5.557 743 HB2 PRO 104 1HB PRO 104 -18.982 -5.833 6.928 744 HB3 PRO 104 2HB PRO 104 -17.597 -6.746 6.318 745 HG2 PRO 104 1HG PRO 104 -18.116 -5.709 9.079 746 HG3 PRO 104 2HG PRO 104 -17.476 -7.285 8.577 747 HD2 PRO 104 1HD PRO 104 -15.885 -5.284 9.470 748 HD3 PRO 104 2HD PRO 104 -15.349 -6.459 8.252 749 H THR 105 H THR 105 -17.339 -2.476 5.305 750 HA THR 105 HA THR 105 -18.911 -0.993 7.194 751 HB THR 105 HB THR 105 -17.235 0.159 5.846 752 HG1 THR 105 1HG THR 105 -18.754 1.798 4.947 753 HG21 THR 105 1HG2 THR 105 -17.528 -1.294 3.819 754 HG22 THR 105 2HG2 THR 105 -17.425 0.433 3.478 755 HG23 THR 105 3HG2 THR 105 -18.990 -0.379 3.453 756 H GLY 106 H GLY 106 -19.478 -2.297 3.931 757 HA2 GLY 106 1HA GLY 106 -21.426 -2.863 2.855 758 HA3 GLY 106 2HA GLY 106 -22.173 -2.948 4.444 759 H ASP 107 H ASP 107 -23.380 -1.240 5.196 760 HA ASP 107 HA ASP 107 -24.842 0.284 3.486 761 HB2 ASP 107 1HB ASP 107 -25.476 0.117 5.798 762 HB3 ASP 107 2HB ASP 107 -24.006 0.939 6.314 763 H ALA 108 H ALA 108 -24.564 2.048 2.271 764 HA ALA 108 HA ALA 108 -23.648 3.925 1.356 765 HB1 ALA 108 1HB ALA 108 -23.351 5.343 3.047 766 HB2 ALA 108 2HB ALA 108 -22.840 4.054 4.138 767 HB3 ALA 108 3HB ALA 108 -21.667 4.819 3.066 768 H SER 109 H SER 109 -22.592 1.313 0.814 769 HA SER 109 HA SER 109 -19.774 1.271 0.799 770 HB2 SER 109 1HB SER 109 -20.945 -0.795 0.499 771 HB3 SER 109 2HB SER 109 -21.817 -0.169 -0.900 772 HG SER 109 HG SER 109 -19.776 -1.572 -1.126 773 H SER 110 H SER 110 -22.024 1.871 -1.906 774 HA SER 110 HA SER 110 -21.694 2.878 -3.933 775 HB2 SER 110 1HB SER 110 -20.391 4.796 -2.000 776 HB3 SER 110 2HB SER 110 -20.602 5.175 -3.710 777 HG SER 110 HG SER 110 -22.683 4.484 -1.904 778 H GLY 111 H GLY 111 -19.891 0.822 -3.582 779 HA2 GLY 111 1HA GLY 111 -17.572 1.877 -5.056 780 HA3 GLY 111 2HA GLY 111 -17.313 0.813 -3.681 781 HA PRO 112 HA PRO 112 -17.413 -2.579 -6.472 782 HB2 PRO 112 1HB PRO 112 -17.986 -4.570 -4.717 783 HB3 PRO 112 2HB PRO 112 -16.402 -3.791 -4.802 784 HG2 PRO 112 1HG PRO 112 -18.657 -3.295 -2.897 785 HG3 PRO 112 2HG PRO 112 -16.919 -3.416 -2.566 786 HD2 PRO 112 1HD PRO 112 -18.203 -1.040 -2.756 787 HD3 PRO 112 2HD PRO 112 -16.511 -1.252 -3.247 788 H SER 113 H SER 113 -20.120 -1.347 -4.928 789 HA SER 113 HA SER 113 -22.089 -3.275 -5.308 790 HB2 SER 113 1HB SER 113 -23.669 -1.544 -5.037 791 HB3 SER 113 2HB SER 113 -22.258 -0.990 -4.136 792 HG SER 113 HG SER 113 -23.375 0.498 -5.721 793 H SER 114 H SER 114 -23.522 -3.731 -6.974 794 HA SER 114 HA SER 114 -22.468 -3.590 -9.595 795 HB2 SER 114 1HB SER 114 -24.517 -4.696 -10.291 796 HB3 SER 114 2HB SER 114 -23.954 -5.414 -8.782 797 HG SER 114 HG SER 114 -25.626 -4.591 -7.743 798 H GLY 115 H GLY 115 -23.253 -2.492 -11.431 799 HA2 GLY 115 1HA GLY 115 -23.762 -0.483 -12.460 800 HA3 GLY 115 2HA GLY 115 -25.340 -0.805 -11.757 Start of MODEL 6 1 H1 GLY 1 H GLY 1 15.353 -2.201 -18.885 2 HA2 GLY 1 1HA GLY 1 17.413 -4.103 -18.842 3 HA3 GLY 1 2HA GLY 1 18.002 -2.686 -19.699 4 H SER 2 H SER 2 19.548 -2.780 -17.831 5 HA SER 2 HA SER 2 18.521 -1.062 -15.688 6 HB2 SER 2 1HB SER 2 19.799 -3.738 -15.385 7 HB3 SER 2 2HB SER 2 20.233 -2.489 -14.218 8 HG SER 2 HG SER 2 18.310 -3.905 -13.791 9 H SER 3 H SER 3 20.048 0.334 -14.768 10 HA SER 3 HA SER 3 21.930 1.448 -16.438 11 HB2 SER 3 1HB SER 3 20.988 2.469 -14.335 12 HB3 SER 3 2HB SER 3 22.121 1.476 -13.419 13 HG SER 3 HG SER 3 23.304 3.226 -13.714 14 H GLY 4 H GLY 4 22.482 -0.907 -13.829 15 HA2 GLY 4 1HA GLY 4 24.156 -2.671 -14.642 16 HA3 GLY 4 2HA GLY 4 25.220 -1.288 -14.851 17 H SER 5 H SER 5 25.948 -0.148 -12.992 18 HA SER 5 HA SER 5 25.787 -1.752 -10.524 19 HB2 SER 5 1HB SER 5 28.062 -0.169 -11.711 20 HB3 SER 5 2HB SER 5 28.040 -0.628 -10.008 21 HG SER 5 HG SER 5 27.642 -2.842 -10.910 22 H SER 6 H SER 6 23.986 -0.619 -9.730 23 HA SER 6 HA SER 6 24.653 1.802 -8.328 24 HB2 SER 6 1HB SER 6 22.394 1.912 -10.339 25 HB3 SER 6 2HB SER 6 22.935 3.217 -9.283 26 HG SER 6 HG SER 6 24.539 3.621 -10.598 27 H GLY 7 H GLY 7 23.683 1.757 -6.406 28 HA2 GLY 7 1HA GLY 7 20.991 0.769 -6.086 29 HA3 GLY 7 2HA GLY 7 22.213 -0.282 -5.386 30 H ALA 8 H ALA 8 21.803 3.256 -5.512 31 HA ALA 8 HA ALA 8 22.359 3.343 -2.635 32 HB1 ALA 8 1HB ALA 8 22.269 5.953 -3.485 33 HB2 ALA 8 2HB ALA 8 23.725 4.971 -3.321 34 HB3 ALA 8 3HB ALA 8 22.923 5.104 -4.886 35 H HIS 9 H HIS 9 20.203 2.573 -2.114 36 HA HIS 9 HA HIS 9 18.326 4.793 -1.906 37 HB2 HIS 9 1HB HIS 9 16.427 3.366 -2.627 38 HB3 HIS 9 2HB HIS 9 17.580 3.669 -3.923 39 HD1 HIS 9 1HD HIS 9 18.844 1.662 -4.874 40 HD2 HIS 9 2HD HIS 9 16.355 0.700 -1.690 41 HE1 HIS 9 1HE HIS 9 18.735 -0.850 -4.841 42 HE2 HIS 9 2HE HIS 9 17.155 -1.407 -2.960 43 H ASP 10 H ASP 10 17.152 4.781 -0.047 44 HA ASP 10 HA ASP 10 17.474 2.440 1.715 45 HB2 ASP 10 1HB ASP 10 18.746 4.661 2.265 46 HB3 ASP 10 2HB ASP 10 17.165 5.214 2.811 47 H ALA 11 H ALA 11 15.494 1.520 1.306 48 HA ALA 11 HA ALA 11 13.052 2.827 1.039 49 HB1 ALA 11 1HB ALA 11 12.711 0.288 2.352 50 HB2 ALA 11 2HB ALA 11 12.316 0.760 0.698 51 HB3 ALA 11 3HB ALA 11 13.935 0.178 1.086 52 H SER 12 H SER 12 14.889 2.050 3.886 53 HA SER 12 HA SER 12 12.853 2.185 5.814 54 HB2 SER 12 1HB SER 12 15.593 3.206 6.445 55 HB3 SER 12 2HB SER 12 14.542 2.155 7.395 56 HG SER 12 HG SER 12 16.192 0.911 6.562 57 H LYS 13 H LYS 13 14.396 4.632 3.952 58 HA LYS 13 HA LYS 13 13.661 6.795 5.731 59 HB2 LYS 13 1HB LYS 13 14.769 6.867 2.918 60 HB3 LYS 13 2HB LYS 13 14.598 8.252 3.987 61 HG2 LYS 13 1HG LYS 13 16.189 5.920 4.923 62 HG3 LYS 13 2HG LYS 13 16.892 7.008 3.724 63 HD2 LYS 13 1HD LYS 13 17.577 8.089 5.603 64 HD3 LYS 13 2HD LYS 13 15.985 8.833 5.443 65 HE2 LYS 13 1HE LYS 13 15.284 6.708 6.879 66 HE3 LYS 13 2HE LYS 13 16.966 6.823 7.396 67 HZ1 LYS 13 1HZ LYS 13 14.880 8.231 8.427 68 HZ2 LYS 13 2HZ LYS 13 15.629 9.355 7.410 69 HZ3 LYS 13 3HZ LYS 13 16.518 8.599 8.634 70 H VAL 14 H VAL 14 11.680 4.933 4.322 71 HA VAL 14 HA VAL 14 10.113 6.958 2.879 72 HB VAL 14 HB VAL 14 9.812 3.953 2.953 73 HG11 VAL 14 1HG1 VAL 14 7.698 4.281 2.345 74 HG12 VAL 14 2HG1 VAL 14 7.938 6.026 2.238 75 HG13 VAL 14 3HG1 VAL 14 8.306 4.998 0.853 76 HG21 VAL 14 1HG2 VAL 14 10.256 5.289 0.393 77 HG22 VAL 14 2HG2 VAL 14 11.599 5.459 1.523 78 HG23 VAL 14 3HG2 VAL 14 11.024 3.854 1.071 79 H ARG 15 H ARG 15 8.325 7.794 3.746 80 HA ARG 15 HA ARG 15 7.378 6.682 6.291 81 HB2 ARG 15 1HB ARG 15 7.434 9.404 5.096 82 HB3 ARG 15 2HB ARG 15 6.082 9.019 6.152 83 HG2 ARG 15 1HG ARG 15 8.901 8.515 7.020 84 HG3 ARG 15 2HG ARG 15 8.170 10.115 7.166 85 HD2 ARG 15 1HD ARG 15 6.226 8.797 8.312 86 HD3 ARG 15 2HD ARG 15 7.465 7.567 8.557 87 HE ARG 15 HE ARG 15 8.364 10.130 9.398 88 HH11 ARG 15 1HH1 ARG 15 6.348 7.448 10.327 89 HH12 ARG 15 2HH1 ARG 15 6.506 7.749 12.026 90 HH21 ARG 15 1HH2 ARG 15 8.580 10.536 11.633 91 HH22 ARG 15 2HH2 ARG 15 7.775 9.506 12.767 92 H ALA 16 H ALA 16 5.391 5.839 6.509 93 HA ALA 16 HA ALA 16 3.580 6.005 4.188 94 HB1 ALA 16 1HB ALA 16 3.432 3.792 4.186 95 HB2 ALA 16 2HB ALA 16 4.667 3.740 5.444 96 HB3 ALA 16 3HB ALA 16 2.961 3.784 5.886 97 H SER 17 H SER 17 1.858 7.222 4.562 98 HA SER 17 HA SER 17 0.404 6.940 7.068 99 HB2 SER 17 1HB SER 17 1.573 9.551 6.102 100 HB3 SER 17 2HB SER 17 0.229 9.476 7.241 101 HG SER 17 HG SER 17 2.489 7.942 7.801 102 H GLY 18 H GLY 18 -1.766 7.784 6.971 103 HA2 GLY 18 1HA GLY 18 -3.306 9.071 5.388 104 HA3 GLY 18 2HA GLY 18 -2.752 7.907 4.194 105 HA PRO 19 HA PRO 19 -6.636 6.357 6.305 106 HB2 PRO 19 1HB PRO 19 -8.089 6.062 4.030 107 HB3 PRO 19 2HB PRO 19 -8.044 7.569 4.953 108 HG2 PRO 19 1HG PRO 19 -6.533 6.816 2.481 109 HG3 PRO 19 2HG PRO 19 -7.341 8.344 2.877 110 HD2 PRO 19 1HD PRO 19 -4.664 8.007 3.113 111 HD3 PRO 19 2HD PRO 19 -5.591 9.076 4.187 112 H GLY 20 H GLY 20 -5.223 5.376 3.182 113 HA2 GLY 20 1HA GLY 20 -6.095 2.716 3.206 114 HA3 GLY 20 2HA GLY 20 -4.683 3.309 2.345 115 H LEU 21 H LEU 21 -3.597 4.254 5.025 116 HA LEU 21 HA LEU 21 -2.505 1.644 5.818 117 HB2 LEU 21 1HB LEU 21 -1.371 4.385 6.344 118 HB3 LEU 21 2HB LEU 21 -0.584 2.838 6.652 119 HG LEU 21 HG LEU 21 -1.340 3.745 3.884 120 HD11 LEU 21 1HD1 LEU 21 1.301 4.112 3.914 121 HD12 LEU 21 2HD1 LEU 21 0.945 4.534 5.588 122 HD13 LEU 21 3HD1 LEU 21 0.153 5.402 4.273 123 HD21 LEU 21 1HD2 LEU 21 0.845 2.157 3.680 124 HD22 LEU 21 2HD2 LEU 21 -0.818 1.584 3.548 125 HD23 LEU 21 3HD2 LEU 21 0.044 1.446 5.081 126 H ASN 22 H ASN 22 -5.054 2.679 6.767 127 HA ASN 22 HA ASN 22 -4.718 3.680 9.420 128 HB2 ASN 22 1HB ASN 22 -6.770 3.957 7.931 129 HB3 ASN 22 2HB ASN 22 -7.174 2.294 8.346 130 HD21 ASN 22 1HD2 ASN 22 -8.699 2.237 9.815 131 HD22 ASN 22 2HD2 ASN 22 -8.843 3.285 11.181 132 H ALA 23 H ALA 23 -4.047 2.559 11.115 133 HA ALA 23 HA ALA 23 -3.887 -0.309 11.056 134 HB1 ALA 23 1HB ALA 23 -2.424 -0.110 12.760 135 HB2 ALA 23 2HB ALA 23 -2.392 1.581 12.259 136 HB3 ALA 23 3HB ALA 23 -3.410 1.081 13.609 137 H SER 24 H SER 24 -6.098 2.043 12.287 138 HA SER 24 HA SER 24 -7.323 0.375 14.258 139 HB2 SER 24 1HB SER 24 -7.373 3.000 13.939 140 HB3 SER 24 2HB SER 24 -8.805 2.635 12.976 141 HG SER 24 HG SER 24 -9.826 2.450 14.790 142 H GLY 25 H GLY 25 -7.627 0.741 10.840 143 HA2 GLY 25 1HA GLY 25 -8.682 -1.258 9.777 144 HA3 GLY 25 2HA GLY 25 -10.020 -0.994 10.886 145 H ILE 26 H ILE 26 -9.455 -0.847 7.804 146 HA ILE 26 HA ILE 26 -10.704 1.778 7.356 147 HB ILE 26 HB ILE 26 -10.079 1.371 4.940 148 HG12 ILE 26 1HG1 ILE 26 -8.116 -0.641 5.992 149 HG13 ILE 26 2HG1 ILE 26 -9.720 -1.157 5.481 150 HG21 ILE 26 1HG2 ILE 26 -8.256 2.614 5.302 151 HG22 ILE 26 2HG2 ILE 26 -8.667 2.471 7.010 152 HG23 ILE 26 3HG2 ILE 26 -7.492 1.370 6.291 153 HD11 ILE 26 1HD1 ILE 26 -7.411 -0.595 3.901 154 HD12 ILE 26 2HD1 ILE 26 -8.966 -1.269 3.410 155 HD13 ILE 26 3HD1 ILE 26 -8.729 0.478 3.430 156 HA PRO 27 HA PRO 27 -14.526 -0.121 6.283 157 HB2 PRO 27 1HB PRO 27 -15.538 1.807 4.661 158 HB3 PRO 27 2HB PRO 27 -15.439 1.984 6.417 159 HG2 PRO 27 1HG PRO 27 -13.613 3.053 4.300 160 HG3 PRO 27 2HG PRO 27 -14.235 3.858 5.753 161 HD2 PRO 27 1HD PRO 27 -11.741 2.812 5.621 162 HD3 PRO 27 2HD PRO 27 -12.680 2.855 7.127 163 H ALA 28 H ALA 28 -14.267 -1.897 5.025 164 HA ALA 28 HA ALA 28 -13.042 -2.033 2.528 165 HB1 ALA 28 1HB ALA 28 -13.512 -3.997 3.906 166 HB2 ALA 28 2HB ALA 28 -15.239 -3.800 3.600 167 HB3 ALA 28 3HB ALA 28 -14.147 -4.191 2.271 168 H SER 29 H SER 29 -14.236 -2.754 0.484 169 HA SER 29 HA SER 29 -15.561 -2.190 -1.277 170 HB2 SER 29 1HB SER 29 -17.499 -1.863 1.009 171 HB3 SER 29 2HB SER 29 -17.981 -1.569 -0.661 172 HG SER 29 HG SER 29 -17.805 -3.890 0.603 173 H LEU 30 H LEU 30 -13.797 -0.229 -0.417 174 HA LEU 30 HA LEU 30 -15.064 2.120 -1.505 175 HB2 LEU 30 1HB LEU 30 -15.655 2.338 0.842 176 HB3 LEU 30 2HB LEU 30 -13.965 2.142 1.303 177 HG LEU 30 HG LEU 30 -13.690 4.290 -0.233 178 HD11 LEU 30 1HD1 LEU 30 -15.531 5.445 -0.707 179 HD12 LEU 30 2HD1 LEU 30 -16.164 5.253 0.928 180 HD13 LEU 30 3HD1 LEU 30 -16.439 3.995 -0.276 181 HD21 LEU 30 1HD2 LEU 30 -14.836 4.782 2.473 182 HD22 LEU 30 2HD2 LEU 30 -13.411 5.485 1.706 183 HD23 LEU 30 3HD2 LEU 30 -13.355 3.834 2.328 184 HA PRO 31 HA PRO 31 -10.975 2.510 -3.117 185 HB2 PRO 31 1HB PRO 31 -11.182 5.039 -4.081 186 HB3 PRO 31 2HB PRO 31 -11.944 3.649 -4.862 187 HG2 PRO 31 1HG PRO 31 -13.149 5.689 -3.033 188 HG3 PRO 31 2HG PRO 31 -13.809 4.997 -4.526 189 HD2 PRO 31 1HD PRO 31 -14.578 4.160 -2.069 190 HD3 PRO 31 2HD PRO 31 -14.515 3.073 -3.471 191 H VAL 32 H VAL 32 -9.508 2.564 -1.474 192 HA VAL 32 HA VAL 32 -9.181 5.106 -0.022 193 HB VAL 32 HB VAL 32 -9.649 3.019 1.328 194 HG11 VAL 32 1HG1 VAL 32 -8.216 1.537 -0.076 195 HG12 VAL 32 2HG1 VAL 32 -6.801 2.326 0.624 196 HG13 VAL 32 3HG1 VAL 32 -7.905 1.414 1.655 197 HG21 VAL 32 1HG2 VAL 32 -8.565 5.102 2.198 198 HG22 VAL 32 2HG2 VAL 32 -8.149 3.634 3.081 199 HG23 VAL 32 3HG2 VAL 32 -7.003 4.327 1.934 200 H GLU 33 H GLU 33 -7.199 6.100 0.060 201 HA GLU 33 HA GLU 33 -4.953 4.836 -1.330 202 HB2 GLU 33 1HB GLU 33 -4.498 7.010 -2.505 203 HB3 GLU 33 2HB GLU 33 -5.926 6.152 -3.067 204 HG2 GLU 33 1HG GLU 33 -7.365 7.716 -2.250 205 HG3 GLU 33 2HG GLU 33 -6.278 8.199 -0.949 206 H PHE 34 H PHE 34 -2.989 5.292 -0.474 207 HA PHE 34 HA PHE 34 -2.961 7.089 1.855 208 HB2 PHE 34 1HB PHE 34 -0.853 5.760 2.446 209 HB3 PHE 34 2HB PHE 34 -2.393 4.917 2.582 210 HD1 PHE 34 1HD PHE 34 -3.100 3.411 0.665 211 HD2 PHE 34 2HD PHE 34 0.856 4.918 1.107 212 HE1 PHE 34 1HE PHE 34 -2.262 1.638 -0.822 213 HE2 PHE 34 2HE PHE 34 1.700 3.149 -0.379 214 HZ PHE 34 HZ PHE 34 0.141 1.507 -1.347 215 H THR 35 H THR 35 -0.396 7.621 2.252 216 HA THR 35 HA THR 35 0.663 8.707 -0.265 217 HB THR 35 HB THR 35 0.391 10.260 2.316 218 HG1 THR 35 1HG THR 35 -1.543 10.205 1.131 219 HG21 THR 35 1HG2 THR 35 2.461 10.533 0.657 220 HG22 THR 35 2HG2 THR 35 1.709 11.913 1.458 221 HG23 THR 35 3HG2 THR 35 1.293 11.527 -0.212 222 H ILE 36 H ILE 36 2.725 8.183 -0.549 223 HA ILE 36 HA ILE 36 4.293 7.340 1.791 224 HB ILE 36 HB ILE 36 4.739 6.724 -1.132 225 HG12 ILE 36 1HG1 ILE 36 2.805 5.545 -0.227 226 HG13 ILE 36 2HG1 ILE 36 4.132 4.418 -0.484 227 HG21 ILE 36 1HG2 ILE 36 6.152 5.098 0.820 228 HG22 ILE 36 2HG2 ILE 36 6.750 5.899 -0.632 229 HG23 ILE 36 3HG2 ILE 36 6.619 6.797 0.879 230 HD11 ILE 36 1HD1 ILE 36 4.462 5.264 2.128 231 HD12 ILE 36 2HD1 ILE 36 2.717 5.087 1.939 232 HD13 ILE 36 3HD1 ILE 36 3.785 3.728 1.590 233 H ASP 37 H ASP 37 4.957 9.414 2.433 234 HA ASP 37 HA ASP 37 6.343 11.146 0.595 235 HB2 ASP 37 1HB ASP 37 5.045 12.131 2.400 236 HB3 ASP 37 2HB ASP 37 6.010 11.275 3.599 237 H ALA 38 H ALA 38 8.205 10.277 -0.158 238 HA ALA 38 HA ALA 38 10.258 9.617 1.847 239 HB1 ALA 38 1HB ALA 38 9.132 7.851 -0.034 240 HB2 ALA 38 2HB ALA 38 10.765 8.216 -0.593 241 HB3 ALA 38 3HB ALA 38 10.511 7.571 1.029 242 H ARG 39 H ARG 39 11.862 11.033 1.745 243 HA ARG 39 HA ARG 39 12.328 12.515 -0.728 244 HB2 ARG 39 1HB ARG 39 13.547 12.922 2.008 245 HB3 ARG 39 2HB ARG 39 13.683 14.010 0.634 246 HG2 ARG 39 1HG ARG 39 12.017 15.068 1.734 247 HG3 ARG 39 2HG ARG 39 11.031 13.929 0.814 248 HD2 ARG 39 1HD ARG 39 10.345 13.981 3.150 249 HD3 ARG 39 2HD ARG 39 11.011 12.405 2.726 250 HE ARG 39 HE ARG 39 13.138 13.756 3.739 251 HH11 ARG 39 1HH1 ARG 39 9.929 13.064 4.898 252 HH12 ARG 39 2HH1 ARG 39 10.395 13.046 6.567 253 HH21 ARG 39 1HH2 ARG 39 13.764 13.735 5.932 254 HH22 ARG 39 2HH2 ARG 39 12.576 13.428 7.154 255 H ASP 40 H ASP 40 14.316 10.868 1.736 256 HA ASP 40 HA ASP 40 16.418 10.498 -0.268 257 HB2 ASP 40 1HB ASP 40 16.358 10.335 2.735 258 HB3 ASP 40 2HB ASP 40 17.686 9.631 1.817 259 H ALA 41 H ALA 41 13.988 8.963 -0.433 260 HA ALA 41 HA ALA 41 14.383 6.349 0.614 261 HB1 ALA 41 1HB ALA 41 12.615 5.735 -1.099 262 HB2 ALA 41 2HB ALA 41 12.163 6.944 0.104 263 HB3 ALA 41 3HB ALA 41 12.588 7.445 -1.533 264 H GLY 42 H GLY 42 15.655 8.027 -2.097 265 HA2 GLY 42 1HA GLY 42 17.689 6.892 -3.010 266 HA3 GLY 42 2HA GLY 42 16.663 5.478 -3.203 267 H GLU 43 H GLU 43 17.989 6.303 -5.376 268 HA GLU 43 HA GLU 43 16.168 7.980 -6.939 269 HB2 GLU 43 1HB GLU 43 17.943 8.045 -8.612 270 HB3 GLU 43 2HB GLU 43 18.559 8.519 -7.036 271 HG2 GLU 43 1HG GLU 43 19.265 6.044 -6.828 272 HG3 GLU 43 2HG GLU 43 19.057 6.010 -8.578 273 H GLY 44 H GLY 44 14.856 5.766 -6.433 274 HA2 GLY 44 1HA GLY 44 15.081 4.202 -8.928 275 HA3 GLY 44 2HA GLY 44 14.765 3.425 -7.384 276 H LEU 45 H LEU 45 12.814 2.553 -8.163 277 HA LEU 45 HA LEU 45 10.647 4.531 -8.425 278 HB2 LEU 45 1HB LEU 45 9.584 3.258 -10.055 279 HB3 LEU 45 2HB LEU 45 11.286 3.204 -10.510 280 HG LEU 45 HG LEU 45 11.184 0.945 -9.105 281 HD11 LEU 45 1HD1 LEU 45 8.415 1.116 -10.273 282 HD12 LEU 45 2HD1 LEU 45 8.775 1.333 -8.560 283 HD13 LEU 45 3HD1 LEU 45 9.115 -0.210 -9.344 284 HD21 LEU 45 1HD2 LEU 45 11.698 0.120 -11.101 285 HD22 LEU 45 2HD2 LEU 45 11.252 1.674 -11.807 286 HD23 LEU 45 3HD2 LEU 45 10.056 0.383 -11.689 287 H LEU 46 H LEU 46 8.854 4.237 -7.200 288 HA LEU 46 HA LEU 46 9.013 2.286 -5.075 289 HB2 LEU 46 1HB LEU 46 8.305 4.418 -4.390 290 HB3 LEU 46 2HB LEU 46 7.147 4.548 -5.712 291 HG LEU 46 HG LEU 46 6.026 2.506 -4.464 292 HD11 LEU 46 1HD1 LEU 46 7.251 2.006 -2.634 293 HD12 LEU 46 2HD1 LEU 46 6.303 3.312 -1.924 294 HD13 LEU 46 3HD1 LEU 46 7.935 3.627 -2.512 295 HD21 LEU 46 1HD2 LEU 46 5.773 5.414 -4.261 296 HD22 LEU 46 2HD2 LEU 46 5.056 4.532 -2.913 297 HD23 LEU 46 3HD2 LEU 46 4.546 4.184 -4.565 298 H THR 47 H THR 47 7.604 0.606 -4.689 299 HA THR 47 HA THR 47 5.617 0.016 -6.776 300 HB THR 47 HB THR 47 6.240 -2.326 -6.810 301 HG1 THR 47 1HG THR 47 8.392 -2.740 -5.673 302 HG21 THR 47 1HG2 THR 47 8.100 -2.139 -8.162 303 HG22 THR 47 2HG2 THR 47 8.874 -0.950 -7.115 304 HG23 THR 47 3HG2 THR 47 7.526 -0.472 -8.146 305 H VAL 48 H VAL 48 3.787 -1.097 -6.104 306 HA VAL 48 HA VAL 48 3.564 -1.677 -3.231 307 HB VAL 48 HB VAL 48 1.536 -0.150 -4.868 308 HG11 VAL 48 1HG1 VAL 48 1.415 -1.213 -2.052 309 HG12 VAL 48 2HG1 VAL 48 0.305 0.000 -2.694 310 HG13 VAL 48 3HG1 VAL 48 0.353 -1.615 -3.401 311 HG21 VAL 48 1HG2 VAL 48 3.689 0.642 -3.069 312 HG22 VAL 48 2HG2 VAL 48 2.776 1.602 -4.233 313 HG23 VAL 48 3HG2 VAL 48 2.122 1.317 -2.620 314 H GLN 49 H GLN 49 2.308 -3.419 -2.694 315 HA GLN 49 HA GLN 49 0.777 -4.755 -4.793 316 HB2 GLN 49 1HB GLN 49 2.997 -5.767 -4.914 317 HB3 GLN 49 2HB GLN 49 2.954 -6.107 -3.189 318 HG2 GLN 49 1HG GLN 49 1.134 -7.659 -3.500 319 HG3 GLN 49 2HG GLN 49 1.049 -7.259 -5.214 320 HE21 GLN 49 1HE2 GLN 49 2.629 -8.027 -6.608 321 HE22 GLN 49 2HE2 GLN 49 3.710 -9.301 -6.166 322 H ILE 50 H ILE 50 -1.084 -5.575 -4.058 323 HA ILE 50 HA ILE 50 -1.397 -5.880 -1.142 324 HB ILE 50 HB ILE 50 -3.614 -5.113 -3.035 325 HG12 ILE 50 1HG1 ILE 50 -2.024 -3.283 -1.225 326 HG13 ILE 50 2HG1 ILE 50 -1.823 -3.377 -2.971 327 HG21 ILE 50 1HG2 ILE 50 -4.728 -5.856 -1.209 328 HG22 ILE 50 2HG2 ILE 50 -3.365 -5.575 -0.126 329 HG23 ILE 50 3HG2 ILE 50 -4.381 -4.226 -0.632 330 HD11 ILE 50 1HD1 ILE 50 -3.729 -1.890 -1.428 331 HD12 ILE 50 2HD1 ILE 50 -3.361 -1.801 -3.151 332 HD13 ILE 50 3HD1 ILE 50 -4.550 -2.963 -2.561 333 H LEU 51 H LEU 51 -2.092 -7.797 -0.434 334 HA LEU 51 HA LEU 51 -3.103 -9.716 -2.427 335 HB2 LEU 51 1HB LEU 51 -1.572 -10.208 0.121 336 HB3 LEU 51 2HB LEU 51 -2.249 -11.474 -0.902 337 HG LEU 51 HG LEU 51 0.075 -9.656 -1.450 338 HD11 LEU 51 1HD1 LEU 51 -0.392 -12.583 -1.151 339 HD12 LEU 51 2HD1 LEU 51 0.889 -11.570 -0.486 340 HD13 LEU 51 3HD1 LEU 51 0.918 -12.022 -2.190 341 HD21 LEU 51 1HD2 LEU 51 -1.299 -9.533 -3.433 342 HD22 LEU 51 2HD2 LEU 51 -1.482 -11.287 -3.454 343 HD23 LEU 51 3HD2 LEU 51 0.099 -10.561 -3.747 344 H ASP 52 H ASP 52 -5.227 -9.963 -2.258 345 HA ASP 52 HA ASP 52 -6.929 -9.148 -0.310 346 HB2 ASP 52 1HB ASP 52 -8.258 -11.357 -1.067 347 HB3 ASP 52 2HB ASP 52 -8.130 -9.923 -2.082 348 HA PRO 53 HA PRO 53 -6.564 -11.634 3.284 349 HB2 PRO 53 1HB PRO 53 -9.149 -12.062 3.996 350 HB3 PRO 53 2HB PRO 53 -8.356 -10.491 4.156 351 HG2 PRO 53 1HG PRO 53 -10.196 -11.473 2.010 352 HG3 PRO 53 2HG PRO 53 -10.165 -9.897 2.822 353 HD2 PRO 53 1HD PRO 53 -9.104 -10.289 0.362 354 HD3 PRO 53 2HD PRO 53 -8.436 -9.116 1.515 355 H GLU 54 H GLU 54 -7.461 -12.947 0.443 356 HA GLU 54 HA GLU 54 -8.104 -15.584 1.571 357 HB2 GLU 54 1HB GLU 54 -8.423 -14.506 -1.234 358 HB3 GLU 54 2HB GLU 54 -8.760 -16.167 -0.769 359 HG2 GLU 54 1HG GLU 54 -10.159 -13.709 0.259 360 HG3 GLU 54 2HG GLU 54 -10.804 -14.882 -0.888 361 H GLY 55 H GLY 55 -5.771 -13.817 -0.331 362 HA2 GLY 55 1HA GLY 55 -3.458 -14.641 -0.165 363 HA3 GLY 55 2HA GLY 55 -4.103 -16.255 -0.422 364 H LYS 56 H LYS 56 -5.015 -13.317 -2.153 365 HA LYS 56 HA LYS 56 -3.677 -14.358 -4.554 366 HB2 LYS 56 1HB LYS 56 -6.432 -13.136 -4.636 367 HB3 LYS 56 2HB LYS 56 -5.589 -13.995 -5.919 368 HG2 LYS 56 1HG LYS 56 -6.315 -15.364 -3.356 369 HG3 LYS 56 2HG LYS 56 -7.476 -15.201 -4.676 370 HD2 LYS 56 1HD LYS 56 -6.165 -16.495 -6.133 371 HD3 LYS 56 2HD LYS 56 -4.730 -16.338 -5.117 372 HE2 LYS 56 1HE LYS 56 -7.181 -17.675 -4.048 373 HE3 LYS 56 2HE LYS 56 -6.095 -18.560 -5.119 374 HZ1 LYS 56 1HZ LYS 56 -5.800 -18.016 -2.371 375 HZ2 LYS 56 2HZ LYS 56 -4.517 -17.301 -3.210 376 HZ3 LYS 56 3HZ LYS 56 -4.815 -18.958 -3.374 377 HA PRO 57 HA PRO 57 -2.218 -10.256 -5.131 378 HB2 PRO 57 1HB PRO 57 -2.016 -10.162 -7.837 379 HB3 PRO 57 2HB PRO 57 -0.908 -11.094 -6.822 380 HG2 PRO 57 1HG PRO 57 -3.287 -12.026 -8.381 381 HG3 PRO 57 2HG PRO 57 -1.689 -12.778 -8.223 382 HD2 PRO 57 1HD PRO 57 -3.842 -13.622 -6.814 383 HD3 PRO 57 2HD PRO 57 -2.189 -13.704 -6.172 384 H LYS 58 H LYS 58 -3.042 -8.245 -5.325 385 HA LYS 58 HA LYS 58 -5.698 -7.988 -6.568 386 HB2 LYS 58 1HB LYS 58 -4.398 -6.395 -4.354 387 HB3 LYS 58 2HB LYS 58 -5.931 -5.966 -5.099 388 HG2 LYS 58 1HG LYS 58 -5.381 -8.555 -3.663 389 HG3 LYS 58 2HG LYS 58 -6.194 -7.154 -2.960 390 HD2 LYS 58 1HD LYS 58 -7.140 -8.689 -5.380 391 HD3 LYS 58 2HD LYS 58 -7.782 -8.866 -3.745 392 HE2 LYS 58 1HE LYS 58 -8.385 -6.456 -3.785 393 HE3 LYS 58 2HE LYS 58 -7.863 -6.392 -5.468 394 HZ1 LYS 58 1HZ LYS 58 -10.243 -6.683 -5.323 395 HZ2 LYS 58 2HZ LYS 58 -10.055 -8.079 -4.387 396 HZ3 LYS 58 3HZ LYS 58 -9.539 -8.066 -5.998 397 H LYS 59 H LYS 59 -6.023 -5.418 -7.001 398 HA LYS 59 HA LYS 59 -3.800 -4.665 -8.783 399 HB2 LYS 59 1HB LYS 59 -6.048 -5.305 -9.816 400 HB3 LYS 59 2HB LYS 59 -6.672 -3.814 -9.122 401 HG2 LYS 59 1HG LYS 59 -4.227 -3.709 -10.820 402 HG3 LYS 59 2HG LYS 59 -5.808 -3.885 -11.586 403 HD2 LYS 59 1HD LYS 59 -5.332 -1.759 -9.528 404 HD3 LYS 59 2HD LYS 59 -4.851 -1.510 -11.208 405 HE2 LYS 59 1HE LYS 59 -7.619 -2.428 -10.519 406 HE3 LYS 59 2HE LYS 59 -7.190 -0.720 -10.442 407 HZ1 LYS 59 1HZ LYS 59 -7.120 -2.494 -12.815 408 HZ2 LYS 59 2HZ LYS 59 -6.406 -0.961 -12.791 409 HZ3 LYS 59 3HZ LYS 59 -8.077 -1.120 -12.579 410 H ALA 60 H ALA 60 -2.693 -2.966 -8.095 411 HA ALA 60 HA ALA 60 -4.134 -0.833 -6.659 412 HB1 ALA 60 1HB ALA 60 -2.246 -0.475 -5.242 413 HB2 ALA 60 2HB ALA 60 -2.639 -2.194 -5.192 414 HB3 ALA 60 3HB ALA 60 -1.274 -1.630 -6.154 415 H ASN 61 H ASN 61 -3.196 1.313 -6.864 416 HA ASN 61 HA ASN 61 -1.746 1.652 -9.408 417 HB2 ASN 61 1HB ASN 61 -3.736 3.570 -8.175 418 HB3 ASN 61 2HB ASN 61 -2.942 3.742 -9.738 419 HD21 ASN 61 1HD2 ASN 61 -5.089 1.620 -7.905 420 HD22 ASN 61 2HD2 ASN 61 -6.003 1.077 -9.266 421 H ILE 62 H ILE 62 -0.198 3.312 -9.539 422 HA ILE 62 HA ILE 62 0.582 4.564 -6.999 423 HB ILE 62 HB ILE 62 2.559 3.295 -8.893 424 HG12 ILE 62 1HG1 ILE 62 2.075 2.268 -6.131 425 HG13 ILE 62 2HG1 ILE 62 0.945 1.812 -7.402 426 HG21 ILE 62 1HG2 ILE 62 3.195 5.321 -7.458 427 HG22 ILE 62 2HG2 ILE 62 3.070 4.220 -6.087 428 HG23 ILE 62 3HG2 ILE 62 4.230 3.896 -7.375 429 HD11 ILE 62 1HD1 ILE 62 3.293 1.285 -8.617 430 HD12 ILE 62 2HD1 ILE 62 3.711 0.961 -6.934 431 HD13 ILE 62 3HD1 ILE 62 2.366 0.107 -7.689 432 H ARG 63 H ARG 63 1.225 6.641 -7.158 433 HA ARG 63 HA ARG 63 1.625 7.741 -9.862 434 HB2 ARG 63 1HB ARG 63 -0.550 8.437 -9.029 435 HB3 ARG 63 2HB ARG 63 0.176 9.007 -7.532 436 HG2 ARG 63 1HG ARG 63 1.214 10.821 -8.598 437 HG3 ARG 63 2HG ARG 63 0.944 10.137 -10.202 438 HD2 ARG 63 1HD ARG 63 -0.628 11.899 -9.911 439 HD3 ARG 63 2HD ARG 63 -1.515 10.380 -9.791 440 HE ARG 63 HE ARG 63 -0.925 10.950 -7.216 441 HH11 ARG 63 1HH1 ARG 63 -2.406 12.771 -9.787 442 HH12 ARG 63 2HH1 ARG 63 -3.400 13.712 -8.725 443 HH21 ARG 63 1HH2 ARG 63 -2.229 12.183 -5.807 444 HH22 ARG 63 2HH2 ARG 63 -3.298 13.377 -6.461 445 H ASP 64 H ASP 64 3.007 9.596 -10.007 446 HA ASP 64 HA ASP 64 4.990 9.688 -7.833 447 HB2 ASP 64 1HB ASP 64 6.562 10.520 -9.594 448 HB3 ASP 64 2HB ASP 64 5.976 8.884 -9.876 449 H ASN 65 H ASN 65 5.090 11.484 -6.670 450 HA ASN 65 HA ASN 65 3.641 13.844 -7.532 451 HB2 ASN 65 1HB ASN 65 4.809 12.867 -4.975 452 HB3 ASN 65 2HB ASN 65 4.657 14.610 -5.179 453 HD21 ASN 65 1HD2 ASN 65 3.044 11.678 -4.543 454 HD22 ASN 65 2HD2 ASN 65 1.447 12.320 -4.393 455 H GLY 66 H GLY 66 6.973 12.931 -6.736 456 HA2 GLY 66 1HA GLY 66 8.871 13.796 -7.848 457 HA3 GLY 66 2HA GLY 66 7.909 15.169 -8.374 458 H ASP 67 H ASP 67 6.878 15.428 -5.540 459 HA ASP 67 HA ASP 67 9.007 17.173 -4.633 460 HB2 ASP 67 1HB ASP 67 6.129 16.790 -3.973 461 HB3 ASP 67 2HB ASP 67 7.164 17.480 -2.727 462 H GLY 68 H GLY 68 9.326 14.228 -4.531 463 HA2 GLY 68 1HA GLY 68 10.554 12.880 -3.093 464 HA3 GLY 68 2HA GLY 68 10.369 14.098 -1.840 465 H THR 69 H THR 69 7.589 12.884 -3.532 466 HA THR 69 HA THR 69 6.970 10.981 -1.413 467 HB THR 69 HB THR 69 4.858 11.940 -0.829 468 HG1 THR 69 1HG THR 69 4.178 12.847 -2.750 469 HG21 THR 69 1HG2 THR 69 6.627 14.357 -0.842 470 HG22 THR 69 2HG2 THR 69 7.079 12.933 0.096 471 HG23 THR 69 3HG2 THR 69 5.558 13.761 0.427 472 H TYR 70 H TYR 70 4.693 10.005 -1.887 473 HA TYR 70 HA TYR 70 4.084 9.893 -4.732 474 HB2 TYR 70 1HB TYR 70 4.771 7.393 -3.175 475 HB3 TYR 70 2HB TYR 70 4.277 7.473 -4.862 476 HD1 TYR 70 1HD TYR 70 6.955 8.585 -2.529 477 HD2 TYR 70 2HD TYR 70 5.882 7.685 -6.546 478 HE1 TYR 70 1HE TYR 70 9.312 8.798 -3.200 479 HE2 TYR 70 2HE TYR 70 8.236 7.894 -7.228 480 HH TYR 70 HH TYR 70 10.527 9.381 -5.494 481 H THR 71 H THR 71 2.104 8.628 -5.167 482 HA THR 71 HA THR 71 0.324 8.498 -2.824 483 HB THR 71 HB THR 71 -0.473 9.510 -5.560 484 HG1 THR 71 1HG THR 71 -0.688 11.527 -4.366 485 HG21 THR 71 1HG2 THR 71 -2.609 9.461 -4.878 486 HG22 THR 71 2HG2 THR 71 -2.201 10.082 -3.279 487 HG23 THR 71 3HG2 THR 71 -2.050 8.359 -3.620 488 H VAL 72 H VAL 72 -0.903 6.710 -2.656 489 HA VAL 72 HA VAL 72 -1.078 4.920 -4.988 490 HB VAL 72 HB VAL 72 -0.471 4.118 -2.140 491 HG11 VAL 72 1HG1 VAL 72 -0.296 1.805 -3.379 492 HG12 VAL 72 2HG1 VAL 72 -1.844 2.391 -2.767 493 HG13 VAL 72 3HG1 VAL 72 -1.452 2.555 -4.479 494 HG21 VAL 72 1HG2 VAL 72 1.410 4.964 -3.576 495 HG22 VAL 72 2HG2 VAL 72 1.611 3.320 -2.972 496 HG23 VAL 72 3HG2 VAL 72 1.119 3.591 -4.644 497 H SER 73 H SER 73 -3.037 4.054 -5.374 498 HA SER 73 HA SER 73 -5.112 4.337 -3.306 499 HB2 SER 73 1HB SER 73 -6.714 5.095 -4.931 500 HB3 SER 73 2HB SER 73 -5.286 6.118 -5.076 501 HG SER 73 HG SER 73 -5.838 5.525 -7.126 502 H TYR 74 H TYR 74 -6.644 2.720 -3.208 503 HA TYR 74 HA TYR 74 -6.721 0.629 -5.198 504 HB2 TYR 74 1HB TYR 74 -6.078 -1.183 -3.725 505 HB3 TYR 74 2HB TYR 74 -4.772 -0.004 -3.791 506 HD1 TYR 74 1HD TYR 74 -4.358 1.490 -1.859 507 HD2 TYR 74 2HD TYR 74 -7.227 -1.646 -1.683 508 HE1 TYR 74 1HE TYR 74 -4.368 1.646 0.596 509 HE2 TYR 74 2HE TYR 74 -7.246 -1.499 0.772 510 HH TYR 74 HH TYR 74 -5.297 0.925 2.483 511 H LEU 75 H LEU 75 -8.348 -1.057 -4.626 512 HA LEU 75 HA LEU 75 -10.398 -0.029 -2.783 513 HB2 LEU 75 1HB LEU 75 -11.133 0.541 -4.984 514 HB3 LEU 75 2HB LEU 75 -10.773 -1.078 -5.580 515 HG LEU 75 HG LEU 75 -12.593 -1.732 -3.752 516 HD11 LEU 75 1HD1 LEU 75 -14.229 -0.148 -3.352 517 HD12 LEU 75 2HD1 LEU 75 -13.708 0.880 -4.686 518 HD13 LEU 75 3HD1 LEU 75 -12.745 0.795 -3.212 519 HD21 LEU 75 1HD2 LEU 75 -13.978 -2.170 -5.510 520 HD22 LEU 75 2HD2 LEU 75 -12.481 -1.867 -6.391 521 HD23 LEU 75 3HD2 LEU 75 -13.703 -0.601 -6.265 522 HA PRO 76 HA PRO 76 -9.588 -4.297 -1.462 523 HB2 PRO 76 1HB PRO 76 -10.518 -3.909 1.059 524 HB3 PRO 76 2HB PRO 76 -8.884 -3.458 0.557 525 HG2 PRO 76 1HG PRO 76 -11.320 -1.741 0.842 526 HG3 PRO 76 2HG PRO 76 -9.650 -1.405 1.336 527 HD2 PRO 76 1HD PRO 76 -10.729 -0.396 -0.933 528 HD3 PRO 76 2HD PRO 76 -9.007 -0.806 -0.795 529 H ASP 77 H ASP 77 -11.278 -5.016 -2.907 530 HA ASP 77 HA ASP 77 -14.009 -4.727 -2.517 531 HB2 ASP 77 1HB ASP 77 -14.252 -6.801 -3.839 532 HB3 ASP 77 2HB ASP 77 -13.083 -5.693 -4.553 533 H MET 78 H MET 78 -11.974 -7.464 -1.466 534 HA MET 78 HA MET 78 -14.085 -8.501 0.202 535 HB2 MET 78 1HB MET 78 -11.251 -9.331 -0.360 536 HB3 MET 78 2HB MET 78 -12.178 -10.087 0.929 537 HG2 MET 78 1HG MET 78 -13.950 -10.376 -1.010 538 HG3 MET 78 2HG MET 78 -12.503 -10.275 -2.011 539 HE1 MET 78 1HE MET 78 -12.200 -12.202 -3.038 540 HE2 MET 78 2HE MET 78 -10.698 -12.549 -2.181 541 HE3 MET 78 3HE MET 78 -11.917 -13.810 -2.372 542 H SER 79 H SER 79 -13.585 -9.067 2.522 543 HA SER 79 HA SER 79 -12.256 -6.776 3.815 544 HB2 SER 79 1HB SER 79 -14.494 -8.477 4.938 545 HB3 SER 79 2HB SER 79 -13.811 -7.021 5.662 546 HG SER 79 HG SER 79 -15.471 -7.284 3.411 547 H GLY 80 H GLY 80 -10.988 -7.136 5.657 548 HA2 GLY 80 1HA GLY 80 -10.434 -9.025 7.320 549 HA3 GLY 80 2HA GLY 80 -9.983 -9.896 5.862 550 H ARG 81 H ARG 81 -7.907 -10.016 7.088 551 HA ARG 81 HA ARG 81 -6.343 -7.621 7.332 552 HB2 ARG 81 1HB ARG 81 -6.177 -9.831 8.696 553 HB3 ARG 81 2HB ARG 81 -5.190 -10.392 7.353 554 HG2 ARG 81 1HG ARG 81 -3.882 -8.169 7.766 555 HG3 ARG 81 2HG ARG 81 -4.626 -8.269 9.364 556 HD2 ARG 81 1HD ARG 81 -2.997 -10.453 8.071 557 HD3 ARG 81 2HD ARG 81 -2.386 -9.312 9.268 558 HE ARG 81 HE ARG 81 -4.460 -10.381 10.565 559 HH11 ARG 81 1HH1 ARG 81 -1.892 -11.856 8.734 560 HH12 ARG 81 2HH1 ARG 81 -1.890 -13.316 9.666 561 HH21 ARG 81 1HH2 ARG 81 -4.467 -12.299 11.799 562 HH22 ARG 81 2HH2 ARG 81 -3.356 -13.567 11.409 563 H TYR 82 H TYR 82 -5.690 -6.601 5.549 564 HA TYR 82 HA TYR 82 -4.989 -8.121 3.163 565 HB2 TYR 82 1HB TYR 82 -5.600 -5.257 3.747 566 HB3 TYR 82 2HB TYR 82 -4.618 -5.633 2.336 567 HD1 TYR 82 2HD TYR 82 -7.936 -5.981 3.869 568 HD2 TYR 82 1HD TYR 82 -5.573 -6.729 0.410 569 HE1 TYR 82 2HE TYR 82 -9.977 -6.474 2.588 570 HE2 TYR 82 1HE TYR 82 -7.608 -7.222 -0.881 571 HH TYR 82 HH TYR 82 -10.482 -6.329 -0.194 572 H THR 83 H THR 83 -2.973 -8.229 2.282 573 HA THR 83 HA THR 83 -0.772 -7.328 4.000 574 HB THR 83 HB THR 83 -0.717 -9.344 1.746 575 HG1 THR 83 1HG THR 83 -1.820 -9.719 3.982 576 HG21 THR 83 1HG2 THR 83 1.503 -9.766 2.258 577 HG22 THR 83 2HG2 THR 83 1.371 -9.069 3.872 578 HG23 THR 83 3HG2 THR 83 1.414 -8.017 2.458 579 H ILE 84 H ILE 84 -0.105 -5.348 3.431 580 HA ILE 84 HA ILE 84 0.083 -4.664 0.586 581 HB ILE 84 HB ILE 84 0.373 -2.865 2.995 582 HG12 ILE 84 1HG1 ILE 84 -1.950 -3.197 1.084 583 HG13 ILE 84 2HG1 ILE 84 -1.906 -3.788 2.742 584 HG21 ILE 84 1HG2 ILE 84 -0.109 -1.133 1.109 585 HG22 ILE 84 2HG2 ILE 84 1.523 -1.761 1.332 586 HG23 ILE 84 3HG2 ILE 84 0.499 -2.404 0.049 587 HD11 ILE 84 1HD1 ILE 84 -2.097 -0.984 1.741 588 HD12 ILE 84 2HD1 ILE 84 -3.101 -1.826 2.922 589 HD13 ILE 84 3HD1 ILE 84 -1.468 -1.318 3.354 590 H THR 85 H THR 85 1.964 -5.389 -0.223 591 HA THR 85 HA THR 85 4.418 -5.115 1.339 592 HB THR 85 HB THR 85 3.945 -6.466 -1.326 593 HG1 THR 85 1HG THR 85 4.664 -7.860 0.990 594 HG21 THR 85 1HG2 THR 85 6.279 -5.541 -0.859 595 HG22 THR 85 2HG2 THR 85 6.164 -7.259 -1.240 596 HG23 THR 85 3HG2 THR 85 6.372 -6.738 0.432 597 H ILE 86 H ILE 86 5.507 -3.276 1.168 598 HA ILE 86 HA ILE 86 5.460 -1.836 -1.400 599 HB ILE 86 HB ILE 86 6.091 -0.739 1.342 600 HG12 ILE 86 1HG1 ILE 86 3.651 -0.284 -0.387 601 HG13 ILE 86 2HG1 ILE 86 3.700 -1.376 0.993 602 HG21 ILE 86 1HG2 ILE 86 5.602 0.811 -1.186 603 HG22 ILE 86 2HG2 ILE 86 6.247 1.394 0.348 604 HG23 ILE 86 3HG2 ILE 86 7.214 0.322 -0.665 605 HD11 ILE 86 1HD1 ILE 86 4.641 1.022 1.997 606 HD12 ILE 86 2HD1 ILE 86 3.330 1.483 0.911 607 HD13 ILE 86 3HD1 ILE 86 3.031 0.340 2.219 608 H LYS 87 H LYS 87 7.260 -1.849 -2.558 609 HA LYS 87 HA LYS 87 9.835 -2.189 -1.166 610 HB2 LYS 87 1HB LYS 87 8.879 -3.479 -3.719 611 HB3 LYS 87 2HB LYS 87 10.581 -3.394 -3.283 612 HG2 LYS 87 1HG LYS 87 9.851 -4.519 -1.086 613 HG3 LYS 87 2HG LYS 87 8.372 -4.920 -1.963 614 HD2 LYS 87 1HD LYS 87 10.018 -5.801 -3.782 615 HD3 LYS 87 2HD LYS 87 11.179 -5.835 -2.452 616 HE2 LYS 87 1HE LYS 87 10.325 -7.941 -2.259 617 HE3 LYS 87 2HE LYS 87 9.190 -7.074 -1.227 618 HZ1 LYS 87 1HZ LYS 87 8.333 -7.017 -3.929 619 HZ2 LYS 87 2HZ LYS 87 7.529 -7.616 -2.567 620 HZ3 LYS 87 3HZ LYS 87 8.587 -8.614 -3.431 621 H TYR 88 H TYR 88 11.385 -0.758 -1.666 622 HA TYR 88 HA TYR 88 10.802 1.171 -3.808 623 HB2 TYR 88 1HB TYR 88 11.065 1.960 -1.398 624 HB3 TYR 88 2HB TYR 88 12.770 1.552 -1.552 625 HD1 TYR 88 1HD TYR 88 10.090 3.733 -2.875 626 HD2 TYR 88 2HD TYR 88 14.275 2.994 -2.679 627 HE1 TYR 88 1HE TYR 88 10.520 5.939 -3.874 628 HE2 TYR 88 2HE TYR 88 14.717 5.199 -3.676 629 HH TYR 88 HH TYR 88 12.412 7.609 -3.904 630 H GLY 89 H GLY 89 12.067 1.257 -5.550 631 HA2 GLY 89 1HA GLY 89 13.646 0.427 -7.044 632 HA3 GLY 89 2HA GLY 89 14.719 1.184 -5.876 633 H GLY 90 H GLY 90 12.758 -1.628 -5.140 634 HA2 GLY 90 1HA GLY 90 13.381 -3.887 -5.060 635 HA3 GLY 90 2HA GLY 90 15.015 -3.430 -5.517 636 H ASP 91 H ASP 91 13.089 -2.117 -2.861 637 HA ASP 91 HA ASP 91 14.694 -3.567 -0.910 638 HB2 ASP 91 1HB ASP 91 15.826 -1.338 -1.563 639 HB3 ASP 91 2HB ASP 91 14.512 -0.573 -0.673 640 H GLU 92 H GLU 92 13.158 -4.472 0.293 641 HA GLU 92 HA GLU 92 10.557 -3.386 0.623 642 HB2 GLU 92 1HB GLU 92 11.243 -5.836 0.762 643 HB3 GLU 92 2HB GLU 92 11.824 -5.481 2.383 644 HG2 GLU 92 1HG GLU 92 9.483 -4.613 2.860 645 HG3 GLU 92 2HG GLU 92 9.011 -5.395 1.353 646 H ILE 93 H ILE 93 9.845 -1.911 2.010 647 HA ILE 93 HA ILE 93 11.538 -0.513 3.756 648 HB ILE 93 HB ILE 93 9.441 0.480 4.681 649 HG12 ILE 93 1HG1 ILE 93 8.137 -1.431 2.732 650 HG13 ILE 93 2HG1 ILE 93 7.978 -1.461 4.485 651 HG21 ILE 93 1HG2 ILE 93 9.690 0.368 1.679 652 HG22 ILE 93 2HG2 ILE 93 8.771 1.576 2.576 653 HG23 ILE 93 3HG2 ILE 93 10.522 1.481 2.764 654 HD11 ILE 93 1HD1 ILE 93 6.008 -0.499 3.535 655 HD12 ILE 93 2HD1 ILE 93 6.907 0.769 4.368 656 HD13 ILE 93 3HD1 ILE 93 6.963 0.658 2.609 657 HA PRO 94 HA PRO 94 11.589 -2.899 7.445 658 HB2 PRO 94 1HB PRO 94 11.822 -0.933 9.302 659 HB3 PRO 94 2HB PRO 94 13.147 -1.406 8.233 660 HG2 PRO 94 1HG PRO 94 11.251 0.898 7.996 661 HG3 PRO 94 2HG PRO 94 13.003 0.859 7.724 662 HD2 PRO 94 1HD PRO 94 11.212 0.787 5.694 663 HD3 PRO 94 2HD PRO 94 12.782 -0.037 5.612 664 H TYR 95 H TYR 95 8.989 -1.081 6.537 665 HA TYR 95 HA TYR 95 7.491 -1.641 9.007 666 HB2 TYR 95 1HB TYR 95 6.717 0.209 6.744 667 HB3 TYR 95 2HB TYR 95 5.899 0.040 8.293 668 HD1 TYR 95 1HD TYR 95 8.893 1.344 6.602 669 HD2 TYR 95 2HD TYR 95 6.753 1.107 10.272 670 HE1 TYR 95 1HE TYR 95 10.306 3.128 7.534 671 HE2 TYR 95 2HE TYR 95 8.160 2.891 11.213 672 HH TYR 95 HH TYR 95 10.166 4.839 9.328 673 H SER 96 H SER 96 7.998 -2.745 5.884 674 HA SER 96 HA SER 96 5.305 -3.857 5.606 675 HB2 SER 96 1HB SER 96 5.836 -3.132 3.502 676 HB3 SER 96 2HB SER 96 7.570 -3.339 3.752 677 HG SER 96 HG SER 96 7.414 -5.210 2.832 678 HA PRO 97 HA PRO 97 4.582 -5.559 4.115 679 HB2 PRO 97 1HB PRO 97 2.864 -7.458 5.014 680 HB3 PRO 97 2HB PRO 97 4.115 -7.788 3.810 681 HG2 PRO 97 1HG PRO 97 4.130 -8.328 6.755 682 HG3 PRO 97 2HG PRO 97 4.681 -9.363 5.425 683 HD2 PRO 97 1HD PRO 97 6.388 -7.911 6.944 684 HD3 PRO 97 2HD PRO 97 6.693 -8.256 5.229 685 H PHE 98 H PHE 98 2.848 -4.261 4.494 686 HA PHE 98 HA PHE 98 2.443 -3.360 7.217 687 HB2 PHE 98 1HB PHE 98 1.748 -2.363 4.506 688 HB3 PHE 98 2HB PHE 98 0.686 -1.883 5.826 689 HD1 PHE 98 2HD PHE 98 2.164 -1.203 8.032 690 HD2 PHE 98 1HD PHE 98 3.344 -0.827 3.960 691 HE1 PHE 98 2HE PHE 98 3.746 0.574 8.659 692 HE2 PHE 98 1HE PHE 98 4.929 0.950 4.580 693 HZ PHE 98 HZ PHE 98 5.131 1.654 6.932 694 H ARG 99 H ARG 99 1.063 -4.384 8.497 695 HA ARG 99 HA ARG 99 -1.067 -6.009 7.426 696 HB2 ARG 99 1HB ARG 99 -1.522 -6.560 9.785 697 HB3 ARG 99 2HB ARG 99 0.169 -6.799 9.364 698 HG2 ARG 99 1HG ARG 99 0.609 -4.517 10.347 699 HG3 ARG 99 2HG ARG 99 -1.038 -4.574 10.979 700 HD2 ARG 99 1HD ARG 99 -0.549 -6.224 12.486 701 HD3 ARG 99 2HD ARG 99 0.743 -6.897 11.492 702 HE ARG 99 HE ARG 99 1.574 -4.383 12.330 703 HH11 ARG 99 1HH1 ARG 99 0.761 -7.457 13.747 704 HH12 ARG 99 2HH1 ARG 99 1.828 -7.264 15.098 705 HH21 ARG 99 1HH2 ARG 99 2.982 -4.116 14.104 706 HH22 ARG 99 2HH2 ARG 99 3.090 -5.363 15.301 707 H ILE 100 H ILE 100 -2.887 -5.091 6.753 708 HA ILE 100 HA ILE 100 -4.048 -2.932 8.390 709 HB ILE 100 HB ILE 100 -4.491 -3.156 5.424 710 HG12 ILE 100 1HG1 ILE 100 -2.061 -2.877 5.888 711 HG13 ILE 100 2HG1 ILE 100 -2.769 -1.493 5.062 712 HG21 ILE 100 1HG2 ILE 100 -4.981 -0.691 5.763 713 HG22 ILE 100 2HG2 ILE 100 -6.135 -1.826 6.462 714 HG23 ILE 100 3HG2 ILE 100 -4.949 -1.026 7.494 715 HD11 ILE 100 1HD1 ILE 100 -1.156 -1.300 7.193 716 HD12 ILE 100 2HD1 ILE 100 -2.392 -0.108 6.791 717 HD13 ILE 100 3HD1 ILE 100 -2.723 -1.348 8.000 718 H HIS 101 H HIS 101 -6.067 -3.253 9.083 719 HA HIS 101 HA HIS 101 -7.480 -5.639 8.139 720 HB2 HIS 101 1HB HIS 101 -6.971 -5.059 10.642 721 HB3 HIS 101 2HB HIS 101 -8.369 -3.999 10.487 722 HD1 HIS 101 1HD HIS 101 -7.677 -7.128 11.776 723 HD2 HIS 101 2HD HIS 101 -10.559 -5.781 9.104 724 HE1 HIS 101 1HE HIS 101 -9.515 -8.843 11.849 725 HE2 HIS 101 2HE HIS 101 -11.209 -8.050 10.161 726 H ALA 102 H ALA 102 -9.456 -5.568 7.191 727 HA ALA 102 HA ALA 102 -10.579 -2.892 6.674 728 HB1 ALA 102 1HB ALA 102 -9.887 -3.663 4.594 729 HB2 ALA 102 2HB ALA 102 -10.379 -5.322 4.935 730 HB3 ALA 102 3HB ALA 102 -11.599 -4.086 4.631 731 H LEU 103 H LEU 103 -12.424 -2.523 7.698 732 HA LEU 103 HA LEU 103 -14.012 -4.734 8.709 733 HB2 LEU 103 1HB LEU 103 -14.630 -1.810 9.000 734 HB3 LEU 103 2HB LEU 103 -15.156 -3.145 10.023 735 HG LEU 103 HG LEU 103 -12.264 -2.355 9.824 736 HD11 LEU 103 1HD1 LEU 103 -13.668 -1.417 12.190 737 HD12 LEU 103 2HD1 LEU 103 -14.222 -0.635 10.711 738 HD13 LEU 103 3HD1 LEU 103 -12.515 -0.582 11.149 739 HD21 LEU 103 1HD2 LEU 103 -12.812 -4.544 10.788 740 HD22 LEU 103 2HD2 LEU 103 -13.864 -3.756 11.964 741 HD23 LEU 103 3HD2 LEU 103 -12.127 -3.448 11.989 742 HA PRO 104 HA PRO 104 -16.902 -4.679 5.376 743 HB2 PRO 104 1HB PRO 104 -18.936 -5.986 6.611 744 HB3 PRO 104 2HB PRO 104 -17.473 -6.801 6.047 745 HG2 PRO 104 1HG PRO 104 -18.184 -5.880 8.805 746 HG3 PRO 104 2HG PRO 104 -17.431 -7.401 8.293 747 HD2 PRO 104 1HD PRO 104 -16.003 -5.342 9.320 748 HD3 PRO 104 2HD PRO 104 -15.342 -6.447 8.098 749 H THR 105 H THR 105 -17.781 -2.763 4.865 750 HA THR 105 HA THR 105 -19.048 -1.016 6.678 751 HB THR 105 HB THR 105 -19.869 0.172 4.631 752 HG1 THR 105 1HG THR 105 -20.108 -1.393 3.113 753 HG21 THR 105 1HG2 THR 105 -17.458 0.254 5.702 754 HG22 THR 105 2HG2 THR 105 -17.816 1.109 4.202 755 HG23 THR 105 3HG2 THR 105 -16.993 -0.450 4.154 756 H GLY 106 H GLY 106 -21.000 -1.131 7.563 757 HA2 GLY 106 1HA GLY 106 -22.909 -3.097 6.667 758 HA3 GLY 106 2HA GLY 106 -23.093 -2.009 8.034 759 H ASP 107 H ASP 107 -23.079 0.441 7.099 760 HA ASP 107 HA ASP 107 -25.572 0.700 5.788 761 HB2 ASP 107 1HB ASP 107 -25.094 3.114 5.788 762 HB3 ASP 107 2HB ASP 107 -24.751 2.390 7.356 763 H ALA 108 H ALA 108 -22.257 1.414 4.695 764 HA ALA 108 HA ALA 108 -23.203 1.753 1.963 765 HB1 ALA 108 1HB ALA 108 -21.606 3.323 2.169 766 HB2 ALA 108 2HB ALA 108 -20.772 2.457 3.459 767 HB3 ALA 108 3HB ALA 108 -20.516 1.992 1.777 768 H SER 109 H SER 109 -23.600 -0.827 2.900 769 HA SER 109 HA SER 109 -21.832 -2.807 2.688 770 HB2 SER 109 1HB SER 109 -23.553 -4.195 1.569 771 HB3 SER 109 2HB SER 109 -24.229 -3.232 2.883 772 HG SER 109 HG SER 109 -25.584 -2.594 1.408 773 H SER 110 H SER 110 -23.316 -1.344 -0.207 774 HA SER 110 HA SER 110 -21.526 -2.692 -1.987 775 HB2 SER 110 1HB SER 110 -22.579 -1.305 -3.736 776 HB3 SER 110 2HB SER 110 -23.787 -2.070 -2.704 777 HG SER 110 HG SER 110 -24.163 -0.143 -1.711 778 H GLY 111 H GLY 111 -20.008 -1.644 -3.424 779 HA2 GLY 111 1HA GLY 111 -18.589 0.533 -2.050 780 HA3 GLY 111 2HA GLY 111 -17.877 -0.583 -3.206 781 HA PRO 112 HA PRO 112 -19.687 3.456 -5.154 782 HB2 PRO 112 1HB PRO 112 -17.698 5.254 -4.729 783 HB3 PRO 112 2HB PRO 112 -19.073 5.067 -3.635 784 HG2 PRO 112 1HG PRO 112 -16.299 3.969 -3.394 785 HG3 PRO 112 2HG PRO 112 -17.321 4.708 -2.148 786 HD2 PRO 112 1HD PRO 112 -17.022 2.028 -2.387 787 HD3 PRO 112 2HD PRO 112 -18.528 2.773 -1.813 788 H SER 113 H SER 113 -18.633 4.683 -6.985 789 HA SER 113 HA SER 113 -16.134 3.893 -8.032 790 HB2 SER 113 1HB SER 113 -17.214 1.742 -8.408 791 HB3 SER 113 2HB SER 113 -18.554 2.531 -9.239 792 HG SER 113 HG SER 113 -15.981 3.013 -10.195 793 H SER 114 H SER 114 -15.626 5.792 -8.894 794 HA SER 114 HA SER 114 -17.385 6.923 -10.936 795 HB2 SER 114 1HB SER 114 -18.001 8.146 -8.928 796 HB3 SER 114 2HB SER 114 -16.306 8.489 -8.580 797 HG SER 114 HG SER 114 -17.297 10.261 -9.594 798 H GLY 115 H GLY 115 -16.325 8.235 -12.470 799 HA2 GLY 115 1HA GLY 115 -13.440 8.575 -12.239 800 HA3 GLY 115 2HA GLY 115 -13.993 7.508 -13.521 Start of MODEL 7 1 H1 GLY 1 H GLY 1 16.089 -4.425 -21.245 2 HA2 GLY 1 1HA GLY 1 17.871 -2.636 -21.180 3 HA3 GLY 1 2HA GLY 1 16.243 -2.011 -21.400 4 H SER 2 H SER 2 17.940 -3.263 -18.534 5 HA SER 2 HA SER 2 18.039 -0.638 -17.335 6 HB2 SER 2 1HB SER 2 16.001 -2.665 -16.550 7 HB3 SER 2 2HB SER 2 16.778 -1.748 -15.260 8 HG SER 2 HG SER 2 15.520 -0.593 -17.527 9 H SER 3 H SER 3 19.756 -0.491 -16.037 10 HA SER 3 HA SER 3 20.932 -2.987 -15.000 11 HB2 SER 3 1HB SER 3 22.120 -1.662 -16.953 12 HB3 SER 3 2HB SER 3 22.669 -0.634 -15.630 13 HG SER 3 HG SER 3 23.117 -3.406 -15.991 14 H GLY 4 H GLY 4 21.034 -3.056 -12.860 15 HA2 GLY 4 1HA GLY 4 20.532 -0.666 -11.304 16 HA3 GLY 4 2HA GLY 4 20.681 -2.304 -10.685 17 H SER 5 H SER 5 22.707 0.169 -12.267 18 HA SER 5 HA SER 5 25.065 -0.818 -10.920 19 HB2 SER 5 1HB SER 5 25.003 0.144 -13.286 20 HB3 SER 5 2HB SER 5 24.858 1.729 -12.526 21 HG SER 5 HG SER 5 27.035 0.044 -12.709 22 H SER 6 H SER 6 23.366 2.318 -11.004 23 HA SER 6 HA SER 6 24.647 3.045 -8.478 24 HB2 SER 6 1HB SER 6 23.277 4.570 -10.657 25 HB3 SER 6 2HB SER 6 23.331 5.267 -9.038 26 HG SER 6 HG SER 6 25.169 5.541 -10.745 27 H GLY 7 H GLY 7 23.630 2.632 -6.638 28 HA2 GLY 7 1HA GLY 7 20.677 2.538 -6.666 29 HA3 GLY 7 2HA GLY 7 21.682 1.559 -5.608 30 H ALA 8 H ALA 8 22.663 2.513 -3.797 31 HA ALA 8 HA ALA 8 22.659 3.840 -1.944 32 HB1 ALA 8 1HB ALA 8 22.296 6.271 -3.619 33 HB2 ALA 8 2HB ALA 8 23.404 5.976 -2.279 34 HB3 ALA 8 3HB ALA 8 23.735 5.282 -3.867 35 H HIS 9 H HIS 9 20.155 2.782 -2.581 36 HA HIS 9 HA HIS 9 18.309 4.983 -1.940 37 HB2 HIS 9 1HB HIS 9 16.513 3.494 -2.741 38 HB3 HIS 9 2HB HIS 9 17.724 3.788 -3.986 39 HD1 HIS 9 1HD HIS 9 19.072 1.786 -4.819 40 HD2 HIS 9 2HD HIS 9 16.466 0.855 -1.720 41 HE1 HIS 9 1HE HIS 9 19.023 -0.726 -4.714 42 HE2 HIS 9 2HE HIS 9 17.374 -1.267 -2.888 43 H ASP 10 H ASP 10 17.034 4.897 -0.141 44 HA ASP 10 HA ASP 10 17.418 2.586 1.647 45 HB2 ASP 10 1HB ASP 10 18.551 4.889 2.222 46 HB3 ASP 10 2HB ASP 10 16.928 5.327 2.748 47 H ALA 11 H ALA 11 15.526 1.528 1.431 48 HA ALA 11 HA ALA 11 13.020 2.725 0.979 49 HB1 ALA 11 1HB ALA 11 12.457 0.615 0.603 50 HB2 ALA 11 2HB ALA 11 14.044 0.105 1.179 51 HB3 ALA 11 3HB ALA 11 12.692 0.220 2.306 52 H SER 12 H SER 12 14.832 2.141 3.877 53 HA SER 12 HA SER 12 12.713 2.224 5.741 54 HB2 SER 12 1HB SER 12 15.649 2.891 6.024 55 HB3 SER 12 2HB SER 12 14.526 2.830 7.382 56 HG SER 12 HG SER 12 15.786 0.809 6.142 57 H LYS 13 H LYS 13 14.294 4.664 3.904 58 HA LYS 13 HA LYS 13 13.552 6.854 5.625 59 HB2 LYS 13 1HB LYS 13 14.610 6.797 2.794 60 HB3 LYS 13 2HB LYS 13 14.347 8.265 3.727 61 HG2 LYS 13 1HG LYS 13 16.120 6.079 4.750 62 HG3 LYS 13 2HG LYS 13 16.716 7.292 3.614 63 HD2 LYS 13 1HD LYS 13 15.986 9.061 5.188 64 HD3 LYS 13 2HD LYS 13 15.514 7.805 6.335 65 HE2 LYS 13 1HE LYS 13 17.869 6.979 6.280 66 HE3 LYS 13 2HE LYS 13 18.284 8.380 5.294 67 HZ1 LYS 13 1HZ LYS 13 17.531 8.263 8.129 68 HZ2 LYS 13 2HZ LYS 13 17.177 9.663 7.249 69 HZ3 LYS 13 3HZ LYS 13 18.777 9.132 7.383 70 H VAL 14 H VAL 14 11.603 4.896 4.160 71 HA VAL 14 HA VAL 14 9.945 6.868 2.771 72 HB VAL 14 HB VAL 14 9.703 3.866 2.990 73 HG11 VAL 14 1HG1 VAL 14 8.010 4.701 0.977 74 HG12 VAL 14 2HG1 VAL 14 7.528 4.158 2.586 75 HG13 VAL 14 3HG1 VAL 14 7.738 5.880 2.260 76 HG21 VAL 14 1HG2 VAL 14 10.805 3.734 1.049 77 HG22 VAL 14 2HG2 VAL 14 9.913 5.085 0.350 78 HG23 VAL 14 3HG2 VAL 14 11.318 5.391 1.370 79 H ARG 15 H ARG 15 8.076 7.640 3.567 80 HA ARG 15 HA ARG 15 7.229 6.655 6.208 81 HB2 ARG 15 1HB ARG 15 7.335 9.355 4.974 82 HB3 ARG 15 2HB ARG 15 5.986 9.023 6.052 83 HG2 ARG 15 1HG ARG 15 8.712 8.325 6.990 84 HG3 ARG 15 2HG ARG 15 8.264 10.031 6.925 85 HD2 ARG 15 1HD ARG 15 6.509 7.983 8.244 86 HD3 ARG 15 2HD ARG 15 7.836 8.759 9.108 87 HE ARG 15 HE ARG 15 6.412 10.828 8.039 88 HH11 ARG 15 1HH1 ARG 15 5.665 8.132 10.112 89 HH12 ARG 15 2HH1 ARG 15 4.399 8.963 10.954 90 HH21 ARG 15 1HH2 ARG 15 4.747 11.932 9.141 91 HH22 ARG 15 2HH2 ARG 15 3.877 11.124 10.401 92 H ALA 16 H ALA 16 5.407 5.534 6.265 93 HA ALA 16 HA ALA 16 3.486 5.836 4.061 94 HB1 ALA 16 1HB ALA 16 2.699 3.617 5.490 95 HB2 ALA 16 2HB ALA 16 3.668 3.613 4.016 96 HB3 ALA 16 3HB ALA 16 4.459 3.562 5.591 97 H SER 17 H SER 17 1.692 6.940 4.446 98 HA SER 17 HA SER 17 0.312 6.681 6.984 99 HB2 SER 17 1HB SER 17 1.229 9.389 5.984 100 HB3 SER 17 2HB SER 17 0.183 9.105 7.375 101 HG SER 17 HG SER 17 2.880 8.276 7.070 102 H GLY 18 H GLY 18 -1.804 7.913 6.930 103 HA2 GLY 18 1HA GLY 18 -3.375 9.068 5.371 104 HA3 GLY 18 2HA GLY 18 -2.861 7.893 4.170 105 HA PRO 19 HA PRO 19 -6.732 6.411 6.351 106 HB2 PRO 19 1HB PRO 19 -8.231 6.140 4.104 107 HB3 PRO 19 2HB PRO 19 -8.144 7.647 5.024 108 HG2 PRO 19 1HG PRO 19 -6.691 6.867 2.526 109 HG3 PRO 19 2HG PRO 19 -7.465 8.409 2.935 110 HD2 PRO 19 1HD PRO 19 -4.791 8.027 3.123 111 HD3 PRO 19 2HD PRO 19 -5.680 9.111 4.212 112 H GLY 20 H GLY 20 -5.370 5.406 3.216 113 HA2 GLY 20 1HA GLY 20 -6.293 2.756 3.266 114 HA3 GLY 20 2HA GLY 20 -4.900 3.329 2.361 115 H LEU 21 H LEU 21 -3.610 4.265 4.888 116 HA LEU 21 HA LEU 21 -2.567 1.646 5.696 117 HB2 LEU 21 1HB LEU 21 -1.388 4.388 6.115 118 HB3 LEU 21 2HB LEU 21 -0.611 2.850 6.487 119 HG LEU 21 HG LEU 21 -1.369 3.734 3.705 120 HD11 LEU 21 1HD1 LEU 21 0.880 4.464 5.387 121 HD12 LEU 21 2HD1 LEU 21 0.363 5.126 3.837 122 HD13 LEU 21 3HD1 LEU 21 1.383 3.688 3.885 123 HD21 LEU 21 1HD2 LEU 21 0.301 1.459 4.763 124 HD22 LEU 21 2HD2 LEU 21 0.215 1.930 3.065 125 HD23 LEU 21 3HD2 LEU 21 -1.229 1.345 3.893 126 H ASN 22 H ASN 22 -5.062 2.736 6.738 127 HA ASN 22 HA ASN 22 -4.625 3.752 9.363 128 HB2 ASN 22 1HB ASN 22 -6.736 3.998 7.957 129 HB3 ASN 22 2HB ASN 22 -7.113 2.337 8.407 130 HD21 ASN 22 1HD2 ASN 22 -8.364 2.112 10.103 131 HD22 ASN 22 2HD2 ASN 22 -8.543 3.242 11.398 132 H ALA 23 H ALA 23 -3.863 2.658 11.036 133 HA ALA 23 HA ALA 23 -3.661 -0.200 11.018 134 HB1 ALA 23 1HB ALA 23 -2.174 0.053 12.692 135 HB2 ALA 23 2HB ALA 23 -2.198 1.741 12.180 136 HB3 ALA 23 3HB ALA 23 -3.178 1.221 13.551 137 H SER 24 H SER 24 -5.907 2.109 12.271 138 HA SER 24 HA SER 24 -7.063 0.399 14.256 139 HB2 SER 24 1HB SER 24 -7.696 3.072 13.097 140 HB3 SER 24 2HB SER 24 -8.998 2.200 13.907 141 HG SER 24 HG SER 24 -6.498 2.430 15.163 142 H GLY 25 H GLY 25 -7.405 0.779 10.855 143 HA2 GLY 25 1HA GLY 25 -8.510 -1.266 9.866 144 HA3 GLY 25 2HA GLY 25 -9.866 -0.852 10.905 145 H ILE 26 H ILE 26 -9.268 -0.956 7.859 146 HA ILE 26 HA ILE 26 -10.278 1.732 7.209 147 HB ILE 26 HB ILE 26 -9.578 1.251 4.883 148 HG12 ILE 26 1HG1 ILE 26 -7.979 -1.075 5.878 149 HG13 ILE 26 2HG1 ILE 26 -9.663 -1.326 5.428 150 HG21 ILE 26 1HG2 ILE 26 -8.113 2.474 6.418 151 HG22 ILE 26 2HG2 ILE 26 -7.375 0.954 6.920 152 HG23 ILE 26 3HG2 ILE 26 -7.189 1.519 5.260 153 HD11 ILE 26 1HD1 ILE 26 -7.348 -1.102 3.761 154 HD12 ILE 26 2HD1 ILE 26 -8.998 -1.559 3.335 155 HD13 ILE 26 3HD1 ILE 26 -8.525 0.140 3.337 156 HA PRO 27 HA PRO 27 -14.205 0.026 6.179 157 HB2 PRO 27 1HB PRO 27 -15.081 1.968 4.497 158 HB3 PRO 27 2HB PRO 27 -14.990 2.184 6.249 159 HG2 PRO 27 1HG PRO 27 -13.080 3.086 4.127 160 HG3 PRO 27 2HG PRO 27 -13.667 3.965 5.552 161 HD2 PRO 27 1HD PRO 27 -11.240 2.766 5.476 162 HD3 PRO 27 2HD PRO 27 -12.191 2.905 6.969 163 H ALA 28 H ALA 28 -14.044 -1.795 4.969 164 HA ALA 28 HA ALA 28 -12.834 -1.988 2.438 165 HB1 ALA 28 1HB ALA 28 -15.005 -3.806 3.453 166 HB2 ALA 28 2HB ALA 28 -13.693 -4.190 2.338 167 HB3 ALA 28 3HB ALA 28 -13.342 -3.873 4.038 168 H SER 29 H SER 29 -14.132 -2.847 0.486 169 HA SER 29 HA SER 29 -15.528 -2.351 -1.240 170 HB2 SER 29 1HB SER 29 -17.839 -2.322 -0.789 171 HB3 SER 29 2HB SER 29 -17.157 -3.242 0.551 172 HG SER 29 HG SER 29 -18.723 -1.492 1.053 173 H LEU 30 H LEU 30 -13.800 -0.284 -0.310 174 HA LEU 30 HA LEU 30 -15.144 1.985 -1.505 175 HB2 LEU 30 1HB LEU 30 -15.715 2.233 0.850 176 HB3 LEU 30 2HB LEU 30 -14.011 2.123 1.286 177 HG LEU 30 HG LEU 30 -13.828 4.237 -0.287 178 HD11 LEU 30 1HD1 LEU 30 -16.322 3.992 -0.811 179 HD12 LEU 30 2HD1 LEU 30 -15.721 5.597 -0.396 180 HD13 LEU 30 3HD1 LEU 30 -16.591 4.643 0.806 181 HD21 LEU 30 1HD2 LEU 30 -13.623 3.831 2.343 182 HD22 LEU 30 2HD2 LEU 30 -15.049 4.869 2.335 183 HD23 LEU 30 3HD2 LEU 30 -13.541 5.435 1.616 184 HA PRO 31 HA PRO 31 -11.091 2.490 -3.167 185 HB2 PRO 31 1HB PRO 31 -11.371 5.012 -4.132 186 HB3 PRO 31 2HB PRO 31 -12.111 3.603 -4.899 187 HG2 PRO 31 1HG PRO 31 -13.337 5.618 -3.056 188 HG3 PRO 31 2HG PRO 31 -14.002 4.908 -4.539 189 HD2 PRO 31 1HD PRO 31 -14.715 4.058 -2.069 190 HD3 PRO 31 2HD PRO 31 -14.648 2.970 -3.470 191 H VAL 32 H VAL 32 -9.667 2.551 -1.462 192 HA VAL 32 HA VAL 32 -9.339 5.128 -0.075 193 HB VAL 32 HB VAL 32 -9.816 3.094 1.332 194 HG11 VAL 32 1HG1 VAL 32 -8.448 1.291 1.411 195 HG12 VAL 32 2HG1 VAL 32 -8.083 1.791 -0.241 196 HG13 VAL 32 3HG1 VAL 32 -6.999 2.238 1.076 197 HG21 VAL 32 1HG2 VAL 32 -8.428 3.799 3.070 198 HG22 VAL 32 2HG2 VAL 32 -7.109 4.215 1.976 199 HG23 VAL 32 3HG2 VAL 32 -8.556 5.221 2.035 200 H GLU 33 H GLU 33 -7.329 6.090 0.058 201 HA GLU 33 HA GLU 33 -5.092 4.811 -1.330 202 HB2 GLU 33 1HB GLU 33 -4.614 6.959 -2.524 203 HB3 GLU 33 2HB GLU 33 -6.068 6.135 -3.069 204 HG2 GLU 33 1HG GLU 33 -6.795 8.300 -2.950 205 HG3 GLU 33 2HG GLU 33 -7.260 7.694 -1.361 206 H PHE 34 H PHE 34 -3.119 5.277 -0.487 207 HA PHE 34 HA PHE 34 -3.093 7.069 1.847 208 HB2 PHE 34 1HB PHE 34 -1.007 5.741 2.464 209 HB3 PHE 34 2HB PHE 34 -2.537 4.876 2.551 210 HD1 PHE 34 1HD PHE 34 -3.156 3.307 0.704 211 HD2 PHE 34 2HD PHE 34 0.724 5.024 1.047 212 HE1 PHE 34 1HE PHE 34 -2.258 1.568 -0.787 213 HE2 PHE 34 2HE PHE 34 1.628 3.288 -0.444 214 HZ PHE 34 HZ PHE 34 0.137 1.558 -1.364 215 H THR 35 H THR 35 -0.524 7.593 2.246 216 HA THR 35 HA THR 35 0.509 8.714 -0.270 217 HB THR 35 HB THR 35 0.321 10.188 2.365 218 HG1 THR 35 1HG THR 35 -0.991 11.611 1.013 219 HG21 THR 35 1HG2 THR 35 2.350 10.470 0.630 220 HG22 THR 35 2HG2 THR 35 1.682 11.816 1.554 221 HG23 THR 35 3HG2 THR 35 1.178 11.556 -0.116 222 H ILE 36 H ILE 36 2.551 8.157 -0.622 223 HA ILE 36 HA ILE 36 4.158 7.201 1.644 224 HB ILE 36 HB ILE 36 4.618 6.744 -1.306 225 HG12 ILE 36 1HG1 ILE 36 2.568 5.638 -0.498 226 HG13 ILE 36 2HG1 ILE 36 3.820 4.467 -0.900 227 HG21 ILE 36 1HG2 ILE 36 6.061 5.923 1.170 228 HG22 ILE 36 2HG2 ILE 36 6.054 4.844 -0.223 229 HG23 ILE 36 3HG2 ILE 36 6.703 6.476 -0.376 230 HD11 ILE 36 1HD1 ILE 36 3.080 3.618 1.076 231 HD12 ILE 36 2HD1 ILE 36 4.362 4.677 1.664 232 HD13 ILE 36 3HD1 ILE 36 2.680 5.203 1.737 233 H ASP 37 H ASP 37 4.808 9.278 2.349 234 HA ASP 37 HA ASP 37 6.247 11.021 0.554 235 HB2 ASP 37 1HB ASP 37 4.930 12.056 2.285 236 HB3 ASP 37 2HB ASP 37 5.757 11.130 3.534 237 H ALA 38 H ALA 38 8.127 10.147 -0.142 238 HA ALA 38 HA ALA 38 10.109 9.459 1.925 239 HB1 ALA 38 1HB ALA 38 9.067 7.533 0.471 240 HB2 ALA 38 2HB ALA 38 10.231 8.106 -0.724 241 HB3 ALA 38 3HB ALA 38 10.788 7.552 0.855 242 H ARG 39 H ARG 39 11.731 10.857 1.881 243 HA ARG 39 HA ARG 39 12.284 12.355 -0.564 244 HB2 ARG 39 1HB ARG 39 13.419 12.721 2.215 245 HB3 ARG 39 2HB ARG 39 13.627 13.815 0.855 246 HG2 ARG 39 1HG ARG 39 11.937 14.901 1.883 247 HG3 ARG 39 2HG ARG 39 10.962 13.769 0.942 248 HD2 ARG 39 1HD ARG 39 10.170 13.796 3.215 249 HD3 ARG 39 2HD ARG 39 10.934 12.242 2.887 250 HE ARG 39 HE ARG 39 12.580 12.752 4.414 251 HH11 ARG 39 1HH1 ARG 39 10.654 15.577 3.758 252 HH12 ARG 39 2HH1 ARG 39 11.334 16.502 5.057 253 HH21 ARG 39 1HH2 ARG 39 13.482 13.959 6.127 254 HH22 ARG 39 2HH2 ARG 39 12.943 15.581 6.402 255 H ASP 40 H ASP 40 14.183 10.662 1.939 256 HA ASP 40 HA ASP 40 16.392 10.366 0.062 257 HB2 ASP 40 1HB ASP 40 16.063 9.919 3.013 258 HB3 ASP 40 2HB ASP 40 17.432 9.216 2.155 259 H ALA 41 H ALA 41 13.826 8.904 -0.251 260 HA ALA 41 HA ALA 41 14.113 6.200 0.461 261 HB1 ALA 41 1HB ALA 41 12.351 7.781 -1.228 262 HB2 ALA 41 2HB ALA 41 12.637 6.161 -1.866 263 HB3 ALA 41 3HB ALA 41 12.000 6.366 -0.234 264 H GLY 42 H GLY 42 15.594 8.088 -2.019 265 HA2 GLY 42 1HA GLY 42 17.671 7.100 -2.922 266 HA3 GLY 42 2HA GLY 42 16.754 5.619 -3.158 267 H GLU 43 H GLU 43 18.008 6.373 -5.314 268 HA GLU 43 HA GLU 43 16.191 8.021 -6.920 269 HB2 GLU 43 1HB GLU 43 18.604 8.586 -6.941 270 HB3 GLU 43 2HB GLU 43 18.952 6.994 -7.600 271 HG2 GLU 43 1HG GLU 43 18.027 7.497 -9.658 272 HG3 GLU 43 2HG GLU 43 17.061 8.823 -9.013 273 H GLY 44 H GLY 44 14.921 5.789 -6.429 274 HA2 GLY 44 1HA GLY 44 15.238 4.210 -8.903 275 HA3 GLY 44 2HA GLY 44 14.928 3.430 -7.359 276 H LEU 45 H LEU 45 13.025 2.490 -8.204 277 HA LEU 45 HA LEU 45 10.796 4.396 -8.505 278 HB2 LEU 45 1HB LEU 45 9.777 3.017 -10.097 279 HB3 LEU 45 2HB LEU 45 11.476 3.080 -10.562 280 HG LEU 45 HG LEU 45 11.548 0.836 -9.136 281 HD11 LEU 45 1HD1 LEU 45 8.775 0.743 -10.294 282 HD12 LEU 45 2HD1 LEU 45 9.097 1.098 -8.597 283 HD13 LEU 45 3HD1 LEU 45 9.576 -0.456 -9.278 284 HD21 LEU 45 1HD2 LEU 45 10.590 -0.101 -11.554 285 HD22 LEU 45 2HD2 LEU 45 12.263 0.317 -11.182 286 HD23 LEU 45 3HD2 LEU 45 11.203 1.508 -11.938 287 H LEU 46 H LEU 46 9.063 4.131 -7.219 288 HA LEU 46 HA LEU 46 9.229 2.188 -5.093 289 HB2 LEU 46 1HB LEU 46 8.509 4.316 -4.417 290 HB3 LEU 46 2HB LEU 46 7.354 4.438 -5.743 291 HG LEU 46 HG LEU 46 6.259 2.377 -4.470 292 HD11 LEU 46 1HD1 LEU 46 6.654 3.572 -1.962 293 HD12 LEU 46 2HD1 LEU 46 8.259 3.313 -2.646 294 HD13 LEU 46 3HD1 LEU 46 7.142 1.959 -2.481 295 HD21 LEU 46 1HD2 LEU 46 5.137 4.343 -3.024 296 HD22 LEU 46 2HD2 LEU 46 4.788 4.072 -4.731 297 HD23 LEU 46 3HD2 LEU 46 5.956 5.305 -4.255 298 H THR 47 H THR 47 7.811 0.515 -4.676 299 HA THR 47 HA THR 47 5.814 -0.102 -6.741 300 HB THR 47 HB THR 47 6.460 -2.490 -6.663 301 HG1 THR 47 1HG THR 47 7.598 -2.194 -4.557 302 HG21 THR 47 1HG2 THR 47 7.310 -1.123 -8.476 303 HG22 THR 47 2HG2 THR 47 8.550 -2.272 -7.973 304 HG23 THR 47 3HG2 THR 47 8.658 -0.584 -7.475 305 H VAL 48 H VAL 48 3.949 -1.017 -6.012 306 HA VAL 48 HA VAL 48 3.810 -1.759 -3.168 307 HB VAL 48 HB VAL 48 1.835 -0.023 -4.653 308 HG11 VAL 48 1HG1 VAL 48 0.289 -0.923 -3.322 309 HG12 VAL 48 2HG1 VAL 48 1.501 -1.762 -2.351 310 HG13 VAL 48 3HG1 VAL 48 1.092 -0.084 -1.995 311 HG21 VAL 48 1HG2 VAL 48 2.842 0.922 -2.099 312 HG22 VAL 48 2HG2 VAL 48 4.131 0.674 -3.278 313 HG23 VAL 48 3HG2 VAL 48 2.779 1.740 -3.661 314 H GLN 49 H GLN 49 2.456 -3.444 -2.661 315 HA GLN 49 HA GLN 49 0.824 -4.612 -4.789 316 HB2 GLN 49 1HB GLN 49 2.944 -5.778 -4.969 317 HB3 GLN 49 2HB GLN 49 2.945 -6.110 -3.242 318 HG2 GLN 49 1HG GLN 49 2.309 -8.100 -4.365 319 HG3 GLN 49 2HG GLN 49 0.876 -7.453 -3.569 320 HE21 GLN 49 1HE2 GLN 49 0.896 -9.295 -5.725 321 HE22 GLN 49 2HE2 GLN 49 0.120 -8.537 -7.069 322 H ILE 50 H ILE 50 -1.019 -5.575 -4.085 323 HA ILE 50 HA ILE 50 -1.387 -5.800 -1.170 324 HB ILE 50 HB ILE 50 -3.584 -5.033 -3.083 325 HG12 ILE 50 1HG1 ILE 50 -1.934 -3.191 -1.340 326 HG13 ILE 50 2HG1 ILE 50 -1.795 -3.313 -3.090 327 HG21 ILE 50 1HG2 ILE 50 -3.784 -4.190 -0.311 328 HG22 ILE 50 2HG2 ILE 50 -4.936 -5.074 -1.311 329 HG23 ILE 50 3HG2 ILE 50 -3.646 -5.940 -0.478 330 HD11 ILE 50 1HD1 ILE 50 -3.621 -1.773 -1.505 331 HD12 ILE 50 2HD1 ILE 50 -3.317 -1.719 -3.242 332 HD13 ILE 50 3HD1 ILE 50 -4.500 -2.851 -2.588 333 H LEU 51 H LEU 51 -2.083 -7.714 -0.464 334 HA LEU 51 HA LEU 51 -3.118 -9.626 -2.451 335 HB2 LEU 51 1HB LEU 51 -1.617 -10.143 0.111 336 HB3 LEU 51 2HB LEU 51 -2.277 -11.391 -0.943 337 HG LEU 51 HG LEU 51 0.039 -9.545 -1.457 338 HD11 LEU 51 1HD1 LEU 51 -0.366 -12.458 -1.035 339 HD12 LEU 51 2HD1 LEU 51 0.919 -11.396 -0.458 340 HD13 LEU 51 3HD1 LEU 51 0.913 -11.941 -2.135 341 HD21 LEU 51 1HD2 LEU 51 -0.985 -9.417 -3.523 342 HD22 LEU 51 2HD2 LEU 51 -1.678 -11.035 -3.400 343 HD23 LEU 51 3HD2 LEU 51 0.047 -10.834 -3.713 344 H ASP 52 H ASP 52 -5.247 -9.830 -2.286 345 HA ASP 52 HA ASP 52 -6.951 -8.992 -0.361 346 HB2 ASP 52 1HB ASP 52 -8.273 -11.228 -1.080 347 HB3 ASP 52 2HB ASP 52 -8.160 -9.802 -2.109 348 HA PRO 53 HA PRO 53 -6.622 -11.406 3.284 349 HB2 PRO 53 1HB PRO 53 -9.211 -11.831 3.979 350 HB3 PRO 53 2HB PRO 53 -8.427 -10.253 4.115 351 HG2 PRO 53 1HG PRO 53 -10.241 -11.288 1.971 352 HG3 PRO 53 2HG PRO 53 -10.225 -9.695 2.751 353 HD2 PRO 53 1HD PRO 53 -9.138 -10.132 0.310 354 HD3 PRO 53 2HD PRO 53 -8.485 -8.933 1.445 355 H GLU 54 H GLU 54 -7.482 -12.781 0.463 356 HA GLU 54 HA GLU 54 -8.126 -15.398 1.637 357 HB2 GLU 54 1HB GLU 54 -8.461 -14.325 -1.165 358 HB3 GLU 54 2HB GLU 54 -8.704 -16.014 -0.743 359 HG2 GLU 54 1HG GLU 54 -10.182 -13.893 0.743 360 HG3 GLU 54 2HG GLU 54 -10.725 -14.387 -0.859 361 H GLY 55 H GLY 55 -5.798 -13.669 -0.318 362 HA2 GLY 55 1HA GLY 55 -3.476 -14.483 -0.091 363 HA3 GLY 55 2HA GLY 55 -4.117 -16.101 -0.338 364 H LYS 56 H LYS 56 -5.040 -13.200 -2.117 365 HA LYS 56 HA LYS 56 -3.658 -14.253 -4.487 366 HB2 LYS 56 1HB LYS 56 -6.427 -13.067 -4.610 367 HB3 LYS 56 2HB LYS 56 -5.558 -13.919 -5.880 368 HG2 LYS 56 1HG LYS 56 -6.346 -15.256 -3.312 369 HG3 LYS 56 2HG LYS 56 -7.424 -15.174 -4.708 370 HD2 LYS 56 1HD LYS 56 -5.933 -16.432 -6.050 371 HD3 LYS 56 2HD LYS 56 -4.622 -16.260 -4.880 372 HE2 LYS 56 1HE LYS 56 -5.878 -17.620 -3.279 373 HE3 LYS 56 2HE LYS 56 -7.187 -17.789 -4.447 374 HZ1 LYS 56 1HZ LYS 56 -4.536 -18.572 -5.354 375 HZ2 LYS 56 2HZ LYS 56 -6.038 -19.286 -5.657 376 HZ3 LYS 56 3HZ LYS 56 -5.249 -19.569 -4.187 377 HA PRO 57 HA PRO 57 -2.235 -10.143 -5.097 378 HB2 PRO 57 1HB PRO 57 -1.995 -10.083 -7.801 379 HB3 PRO 57 2HB PRO 57 -0.891 -10.988 -6.758 380 HG2 PRO 57 1HG PRO 57 -3.238 -11.969 -8.338 381 HG3 PRO 57 2HG PRO 57 -1.634 -12.700 -8.147 382 HD2 PRO 57 1HD PRO 57 -3.797 -13.549 -6.757 383 HD3 PRO 57 2HD PRO 57 -2.152 -13.604 -6.091 384 H LYS 58 H LYS 58 -3.103 -8.157 -5.289 385 HA LYS 58 HA LYS 58 -5.729 -7.940 -6.599 386 HB2 LYS 58 1HB LYS 58 -4.504 -6.328 -4.357 387 HB3 LYS 58 2HB LYS 58 -6.024 -5.917 -5.141 388 HG2 LYS 58 1HG LYS 58 -5.491 -8.514 -3.715 389 HG3 LYS 58 2HG LYS 58 -6.294 -7.118 -2.994 390 HD2 LYS 58 1HD LYS 58 -7.248 -8.570 -5.462 391 HD3 LYS 58 2HD LYS 58 -7.875 -8.834 -3.833 392 HE2 LYS 58 1HE LYS 58 -8.422 -6.374 -3.772 393 HE3 LYS 58 2HE LYS 58 -8.034 -6.325 -5.491 394 HZ1 LYS 58 1HZ LYS 58 -10.447 -6.634 -4.896 395 HZ2 LYS 58 2HZ LYS 58 -10.043 -8.191 -4.373 396 HZ3 LYS 58 3HZ LYS 58 -9.809 -7.756 -5.991 397 H LYS 59 H LYS 59 -6.075 -5.365 -7.028 398 HA LYS 59 HA LYS 59 -3.832 -4.590 -8.776 399 HB2 LYS 59 1HB LYS 59 -5.951 -5.232 -9.937 400 HB3 LYS 59 2HB LYS 59 -6.753 -3.894 -9.124 401 HG2 LYS 59 1HG LYS 59 -5.738 -2.315 -10.414 402 HG3 LYS 59 2HG LYS 59 -4.301 -3.302 -10.688 403 HD2 LYS 59 1HD LYS 59 -5.436 -3.204 -12.762 404 HD3 LYS 59 2HD LYS 59 -5.764 -4.808 -12.101 405 HE2 LYS 59 1HE LYS 59 -7.966 -4.340 -11.696 406 HE3 LYS 59 2HE LYS 59 -7.670 -2.617 -11.468 407 HZ1 LYS 59 1HZ LYS 59 -7.040 -3.262 -14.112 408 HZ2 LYS 59 2HZ LYS 59 -8.298 -2.281 -13.548 409 HZ3 LYS 59 3HZ LYS 59 -8.554 -3.937 -13.775 410 H ALA 60 H ALA 60 -2.775 -2.831 -8.165 411 HA ALA 60 HA ALA 60 -4.246 -0.733 -6.711 412 HB1 ALA 60 1HB ALA 60 -1.402 -1.577 -6.171 413 HB2 ALA 60 2HB ALA 60 -2.310 -0.326 -5.322 414 HB3 ALA 60 3HB ALA 60 -2.796 -2.015 -5.183 415 H ASN 61 H ASN 61 -3.272 1.422 -6.878 416 HA ASN 61 HA ASN 61 -1.832 1.773 -9.426 417 HB2 ASN 61 1HB ASN 61 -3.705 3.810 -8.228 418 HB3 ASN 61 2HB ASN 61 -3.073 3.746 -9.871 419 HD21 ASN 61 1HD2 ASN 61 -5.270 2.247 -7.593 420 HD22 ASN 61 2HD2 ASN 61 -6.286 1.501 -8.774 421 H ILE 62 H ILE 62 -0.313 3.477 -9.554 422 HA ILE 62 HA ILE 62 0.493 4.665 -6.990 423 HB ILE 62 HB ILE 62 2.391 3.403 -8.972 424 HG12 ILE 62 1HG1 ILE 62 2.155 2.545 -6.122 425 HG13 ILE 62 2HG1 ILE 62 0.926 2.002 -7.259 426 HG21 ILE 62 1HG2 ILE 62 3.320 5.408 -7.946 427 HG22 ILE 62 2HG2 ILE 62 2.934 4.779 -6.345 428 HG23 ILE 62 3HG2 ILE 62 4.133 3.962 -7.347 429 HD11 ILE 62 1HD1 ILE 62 3.104 1.378 -8.664 430 HD12 ILE 62 2HD1 ILE 62 3.768 1.254 -7.034 431 HD13 ILE 62 3HD1 ILE 62 2.366 0.287 -7.492 432 H ARG 63 H ARG 63 1.235 6.736 -7.090 433 HA ARG 63 HA ARG 63 1.511 7.945 -9.760 434 HB2 ARG 63 1HB ARG 63 -0.672 8.548 -8.823 435 HB3 ARG 63 2HB ARG 63 0.110 9.152 -7.368 436 HG2 ARG 63 1HG ARG 63 -0.179 11.113 -8.470 437 HG3 ARG 63 2HG ARG 63 1.396 10.656 -9.123 438 HD2 ARG 63 1HD ARG 63 0.323 9.710 -11.092 439 HD3 ARG 63 2HD ARG 63 -1.264 10.101 -10.431 440 HE ARG 63 HE ARG 63 0.453 12.385 -10.682 441 HH11 ARG 63 1HH1 ARG 63 -1.792 10.312 -12.350 442 HH12 ARG 63 2HH1 ARG 63 -2.231 11.511 -13.521 443 HH21 ARG 63 1HH2 ARG 63 -0.116 13.972 -12.218 444 HH22 ARG 63 2HH2 ARG 63 -1.276 13.592 -13.446 445 H ASP 64 H ASP 64 3.089 9.490 -9.996 446 HA ASP 64 HA ASP 64 4.992 9.686 -7.774 447 HB2 ASP 64 1HB ASP 64 5.278 10.076 -10.750 448 HB3 ASP 64 2HB ASP 64 6.531 10.568 -9.614 449 H ASN 65 H ASN 65 5.048 11.482 -6.612 450 HA ASN 65 HA ASN 65 3.655 13.853 -7.509 451 HB2 ASN 65 1HB ASN 65 4.862 12.920 -4.947 452 HB3 ASN 65 2HB ASN 65 4.671 14.655 -5.182 453 HD21 ASN 65 1HD2 ASN 65 3.178 11.797 -4.256 454 HD22 ASN 65 2HD2 ASN 65 1.550 12.371 -4.181 455 H GLY 66 H GLY 66 6.985 12.981 -6.615 456 HA2 GLY 66 1HA GLY 66 8.881 13.791 -7.806 457 HA3 GLY 66 2HA GLY 66 7.928 15.174 -8.323 458 H ASP 67 H ASP 67 6.966 15.322 -5.405 459 HA ASP 67 HA ASP 67 9.130 17.069 -4.539 460 HB2 ASP 67 1HB ASP 67 6.240 16.779 -3.878 461 HB3 ASP 67 2HB ASP 67 7.298 17.446 -2.638 462 H GLY 68 H GLY 68 9.350 14.115 -4.430 463 HA2 GLY 68 1HA GLY 68 10.544 12.741 -2.984 464 HA3 GLY 68 2HA GLY 68 10.369 13.958 -1.728 465 H THR 69 H THR 69 7.570 12.844 -3.443 466 HA THR 69 HA THR 69 6.887 10.939 -1.341 467 HB THR 69 HB THR 69 4.748 11.947 -0.846 468 HG1 THR 69 1HG THR 69 5.529 14.022 -2.642 469 HG21 THR 69 1HG2 THR 69 6.547 14.311 -0.634 470 HG22 THR 69 2HG2 THR 69 7.034 12.816 0.165 471 HG23 THR 69 3HG2 THR 69 5.498 13.578 0.579 472 H TYR 70 H TYR 70 4.603 10.006 -1.848 473 HA TYR 70 HA TYR 70 3.984 9.932 -4.684 474 HB2 TYR 70 1HB TYR 70 4.694 7.385 -3.218 475 HB3 TYR 70 2HB TYR 70 4.235 7.538 -4.911 476 HD1 TYR 70 1HD TYR 70 6.860 8.533 -2.470 477 HD2 TYR 70 2HD TYR 70 5.868 7.865 -6.553 478 HE1 TYR 70 1HE TYR 70 9.228 8.792 -3.081 479 HE2 TYR 70 2HE TYR 70 8.234 8.120 -7.175 480 HH TYR 70 HH TYR 70 10.414 8.000 -6.214 481 H THR 71 H THR 71 2.017 8.651 -5.128 482 HA THR 71 HA THR 71 0.275 8.414 -2.766 483 HB THR 71 HB THR 71 -0.608 9.505 -5.443 484 HG1 THR 71 1HG THR 71 0.010 11.385 -4.714 485 HG21 THR 71 1HG2 THR 71 -2.710 9.423 -4.676 486 HG22 THR 71 2HG2 THR 71 -2.243 10.055 -3.097 487 HG23 THR 71 3HG2 THR 71 -2.096 8.331 -3.436 488 H VAL 72 H VAL 72 -1.119 6.702 -2.732 489 HA VAL 72 HA VAL 72 -1.268 4.988 -5.110 490 HB VAL 72 HB VAL 72 -0.665 3.971 -2.329 491 HG11 VAL 72 1HG1 VAL 72 -0.543 2.252 -4.748 492 HG12 VAL 72 2HG1 VAL 72 -0.931 1.832 -3.078 493 HG13 VAL 72 3HG1 VAL 72 -2.130 2.642 -4.087 494 HG21 VAL 72 1HG2 VAL 72 1.492 3.322 -3.198 495 HG22 VAL 72 2HG2 VAL 72 1.067 3.927 -4.799 496 HG23 VAL 72 3HG2 VAL 72 1.258 5.051 -3.453 497 H SER 73 H SER 73 -3.224 4.081 -5.459 498 HA SER 73 HA SER 73 -5.247 4.325 -3.332 499 HB2 SER 73 1HB SER 73 -6.895 5.054 -4.909 500 HB3 SER 73 2HB SER 73 -5.474 6.071 -5.150 501 HG SER 73 HG SER 73 -6.221 3.814 -6.704 502 H TYR 74 H TYR 74 -6.814 2.714 -3.238 503 HA TYR 74 HA TYR 74 -6.858 0.578 -5.172 504 HB2 TYR 74 1HB TYR 74 -6.163 -1.197 -3.699 505 HB3 TYR 74 2HB TYR 74 -4.890 0.018 -3.737 506 HD1 TYR 74 1HD TYR 74 -4.565 1.526 -1.793 507 HD2 TYR 74 2HD TYR 74 -7.323 -1.712 -1.679 508 HE1 TYR 74 1HE TYR 74 -4.624 1.670 0.662 509 HE2 TYR 74 2HE TYR 74 -7.390 -1.576 0.776 510 HH TYR 74 HH TYR 74 -5.506 -0.567 2.614 511 H LEU 75 H LEU 75 -8.488 -1.080 -4.618 512 HA LEU 75 HA LEU 75 -10.528 -0.066 -2.754 513 HB2 LEU 75 1HB LEU 75 -11.293 0.497 -4.938 514 HB3 LEU 75 2HB LEU 75 -10.902 -1.108 -5.552 515 HG LEU 75 HG LEU 75 -12.698 -1.858 -3.774 516 HD11 LEU 75 1HD1 LEU 75 -13.989 -0.287 -2.882 517 HD12 LEU 75 2HD1 LEU 75 -14.243 0.487 -4.445 518 HD13 LEU 75 3HD1 LEU 75 -12.830 0.902 -3.475 519 HD21 LEU 75 1HD2 LEU 75 -14.058 -2.245 -5.542 520 HD22 LEU 75 2HD2 LEU 75 -12.631 -1.739 -6.446 521 HD23 LEU 75 3HD2 LEU 75 -13.935 -0.591 -6.142 522 HA PRO 76 HA PRO 76 -9.685 -4.328 -1.429 523 HB2 PRO 76 1HB PRO 76 -10.592 -3.937 1.100 524 HB3 PRO 76 2HB PRO 76 -8.965 -3.481 0.582 525 HG2 PRO 76 1HG PRO 76 -11.405 -1.773 0.885 526 HG3 PRO 76 2HG PRO 76 -9.732 -1.429 1.363 527 HD2 PRO 76 1HD PRO 76 -10.835 -0.430 -0.899 528 HD3 PRO 76 2HD PRO 76 -9.111 -0.833 -0.775 529 H ASP 77 H ASP 77 -11.370 -5.092 -2.835 530 HA ASP 77 HA ASP 77 -14.099 -4.803 -2.471 531 HB2 ASP 77 1HB ASP 77 -14.325 -6.946 -3.696 532 HB3 ASP 77 2HB ASP 77 -13.180 -5.848 -4.461 533 H MET 78 H MET 78 -12.079 -7.503 -1.300 534 HA MET 78 HA MET 78 -14.211 -8.409 0.436 535 HB2 MET 78 1HB MET 78 -11.377 -9.419 0.135 536 HB3 MET 78 2HB MET 78 -12.660 -10.216 1.036 537 HG2 MET 78 1HG MET 78 -12.634 -9.713 -1.931 538 HG3 MET 78 2HG MET 78 -12.315 -11.252 -1.135 539 HE1 MET 78 1HE MET 78 -15.064 -12.864 -1.990 540 HE2 MET 78 2HE MET 78 -13.572 -12.831 -1.050 541 HE3 MET 78 3HE MET 78 -15.133 -12.859 -0.227 542 H SER 79 H SER 79 -13.709 -8.901 2.753 543 HA SER 79 HA SER 79 -12.228 -6.647 3.933 544 HB2 SER 79 1HB SER 79 -14.424 -8.273 5.231 545 HB3 SER 79 2HB SER 79 -13.708 -6.778 5.833 546 HG SER 79 HG SER 79 -14.824 -6.718 3.284 547 H GLY 80 H GLY 80 -10.869 -6.995 5.705 548 HA2 GLY 80 1HA GLY 80 -10.322 -8.923 7.370 549 HA3 GLY 80 2HA GLY 80 -9.866 -9.748 5.887 550 H ARG 81 H ARG 81 -7.790 -9.852 7.144 551 HA ARG 81 HA ARG 81 -6.264 -7.425 7.376 552 HB2 ARG 81 1HB ARG 81 -6.104 -9.653 8.759 553 HB3 ARG 81 2HB ARG 81 -5.023 -10.147 7.462 554 HG2 ARG 81 1HG ARG 81 -3.615 -8.188 7.904 555 HG3 ARG 81 2HG ARG 81 -4.689 -7.730 9.227 556 HD2 ARG 81 1HD ARG 81 -3.239 -10.367 9.070 557 HD3 ARG 81 2HD ARG 81 -2.620 -8.954 9.925 558 HE ARG 81 HE ARG 81 -5.135 -9.354 10.935 559 HH11 ARG 81 1HH1 ARG 81 -2.227 -11.248 10.664 560 HH12 ARG 81 2HH1 ARG 81 -2.537 -12.169 12.099 561 HH21 ARG 81 1HH2 ARG 81 -5.554 -10.559 12.826 562 HH22 ARG 81 2HH2 ARG 81 -4.431 -11.776 13.327 563 H TYR 82 H TYR 82 -5.740 -6.451 5.508 564 HA TYR 82 HA TYR 82 -4.983 -7.992 3.176 565 HB2 TYR 82 1HB TYR 82 -5.535 -5.117 3.750 566 HB3 TYR 82 2HB TYR 82 -4.535 -5.506 2.354 567 HD1 TYR 82 2HD TYR 82 -7.886 -5.775 3.822 568 HD2 TYR 82 1HD TYR 82 -5.476 -6.602 0.415 569 HE1 TYR 82 2HE TYR 82 -9.914 -6.226 2.505 570 HE2 TYR 82 1HE TYR 82 -7.497 -7.054 -0.912 571 HH TYR 82 HH TYR 82 -10.506 -7.561 0.436 572 H THR 83 H THR 83 -2.969 -8.169 2.305 573 HA THR 83 HA THR 83 -0.747 -7.294 4.013 574 HB THR 83 HB THR 83 -0.715 -9.362 1.807 575 HG1 THR 83 1HG THR 83 -1.096 -9.550 4.609 576 HG21 THR 83 1HG2 THR 83 1.402 -10.033 3.124 577 HG22 THR 83 2HG2 THR 83 1.320 -8.403 3.794 578 HG23 THR 83 3HG2 THR 83 1.490 -8.634 2.054 579 H ILE 84 H ILE 84 -0.178 -5.284 3.366 580 HA ILE 84 HA ILE 84 0.106 -4.730 0.507 581 HB ILE 84 HB ILE 84 0.386 -2.833 2.840 582 HG12 ILE 84 1HG1 ILE 84 -1.937 -3.011 0.927 583 HG13 ILE 84 2HG1 ILE 84 -1.907 -3.909 2.441 584 HG21 ILE 84 1HG2 ILE 84 -0.240 -1.325 0.670 585 HG22 ILE 84 2HG2 ILE 84 1.397 -1.595 1.265 586 HG23 ILE 84 3HG2 ILE 84 0.767 -2.578 -0.056 587 HD11 ILE 84 1HD1 ILE 84 -3.010 -2.065 3.142 588 HD12 ILE 84 2HD1 ILE 84 -1.360 -1.497 3.403 589 HD13 ILE 84 3HD1 ILE 84 -2.241 -1.014 1.953 590 H THR 85 H THR 85 1.999 -5.365 -0.307 591 HA THR 85 HA THR 85 4.430 -5.093 1.306 592 HB THR 85 HB THR 85 4.081 -6.481 -1.358 593 HG1 THR 85 1HG THR 85 3.493 -8.192 -0.248 594 HG21 THR 85 1HG2 THR 85 6.230 -7.618 -0.139 595 HG22 THR 85 2HG2 THR 85 6.380 -5.944 0.397 596 HG23 THR 85 3HG2 THR 85 6.330 -6.318 -1.326 597 H ILE 86 H ILE 86 5.591 -3.308 1.072 598 HA ILE 86 HA ILE 86 5.584 -1.955 -1.547 599 HB ILE 86 HB ILE 86 6.044 -0.742 1.181 600 HG12 ILE 86 1HG1 ILE 86 3.773 -0.244 -0.748 601 HG13 ILE 86 2HG1 ILE 86 3.675 -1.397 0.578 602 HG21 ILE 86 1HG2 ILE 86 5.699 1.366 -0.432 603 HG22 ILE 86 2HG2 ILE 86 7.283 0.679 -0.071 604 HG23 ILE 86 3HG2 ILE 86 6.458 0.253 -1.570 605 HD11 ILE 86 1HD1 ILE 86 4.416 1.448 1.099 606 HD12 ILE 86 2HD1 ILE 86 2.728 0.973 0.901 607 HD13 ILE 86 3HD1 ILE 86 3.700 0.260 2.188 608 H LYS 87 H LYS 87 7.443 -1.898 -2.616 609 HA LYS 87 HA LYS 87 9.957 -2.145 -1.107 610 HB2 LYS 87 1HB LYS 87 9.143 -3.625 -3.608 611 HB3 LYS 87 2HB LYS 87 10.818 -3.484 -3.090 612 HG2 LYS 87 1HG LYS 87 10.239 -4.593 -0.975 613 HG3 LYS 87 2HG LYS 87 8.578 -4.773 -1.543 614 HD2 LYS 87 1HD LYS 87 9.659 -5.954 -3.578 615 HD3 LYS 87 2HD LYS 87 11.072 -6.109 -2.531 616 HE2 LYS 87 1HE LYS 87 8.355 -6.963 -1.597 617 HE3 LYS 87 2HE LYS 87 9.346 -8.029 -2.591 618 HZ1 LYS 87 1HZ LYS 87 11.103 -7.294 -0.729 619 HZ2 LYS 87 2HZ LYS 87 10.132 -8.673 -0.603 620 HZ3 LYS 87 3HZ LYS 87 9.677 -7.245 0.181 621 H TYR 88 H TYR 88 11.517 -0.740 -1.663 622 HA TYR 88 HA TYR 88 10.968 1.049 -3.929 623 HB2 TYR 88 1HB TYR 88 11.189 1.977 -1.565 624 HB3 TYR 88 2HB TYR 88 12.899 1.572 -1.671 625 HD1 TYR 88 1HD TYR 88 10.251 3.793 -2.882 626 HD2 TYR 88 2HD TYR 88 14.386 2.820 -3.132 627 HE1 TYR 88 1HE TYR 88 10.682 5.941 -4.000 628 HE2 TYR 88 2HE TYR 88 14.829 4.966 -4.250 629 HH TYR 88 HH TYR 88 13.041 7.488 -4.166 630 H GLY 89 H GLY 89 12.300 1.118 -5.631 631 HA2 GLY 89 1HA GLY 89 13.905 0.225 -7.062 632 HA3 GLY 89 2HA GLY 89 14.957 0.994 -5.883 633 H GLY 90 H GLY 90 12.932 -1.772 -5.142 634 HA2 GLY 90 1HA GLY 90 13.516 -4.036 -4.986 635 HA3 GLY 90 2HA GLY 90 15.169 -3.616 -5.410 636 H ASP 91 H ASP 91 13.230 -2.162 -2.848 637 HA ASP 91 HA ASP 91 14.754 -3.600 -0.817 638 HB2 ASP 91 1HB ASP 91 15.892 -1.367 -1.518 639 HB3 ASP 91 2HB ASP 91 14.584 -0.609 -0.613 640 H GLU 92 H GLU 92 13.130 -4.494 0.289 641 HA GLU 92 HA GLU 92 10.555 -3.344 0.559 642 HB2 GLU 92 1HB GLU 92 11.248 -5.818 0.739 643 HB3 GLU 92 2HB GLU 92 11.676 -5.441 2.402 644 HG2 GLU 92 1HG GLU 92 9.297 -4.546 2.627 645 HG3 GLU 92 2HG GLU 92 8.975 -5.383 1.109 646 H ILE 93 H ILE 93 9.803 -1.894 1.959 647 HA ILE 93 HA ILE 93 11.468 -0.487 3.719 648 HB ILE 93 HB ILE 93 9.341 0.461 4.650 649 HG12 ILE 93 1HG1 ILE 93 8.002 -1.238 2.540 650 HG13 ILE 93 2HG1 ILE 93 8.017 -1.652 4.251 651 HG21 ILE 93 1HG2 ILE 93 9.063 1.861 2.859 652 HG22 ILE 93 2HG2 ILE 93 10.604 1.114 2.441 653 HG23 ILE 93 3HG2 ILE 93 9.116 0.547 1.683 654 HD11 ILE 93 1HD1 ILE 93 6.529 -0.028 4.796 655 HD12 ILE 93 2HD1 ILE 93 7.044 1.041 3.491 656 HD13 ILE 93 3HD1 ILE 93 6.015 -0.347 3.140 657 HA PRO 94 HA PRO 94 11.546 -2.907 7.387 658 HB2 PRO 94 1HB PRO 94 11.814 -0.950 9.249 659 HB3 PRO 94 2HB PRO 94 13.125 -1.430 8.165 660 HG2 PRO 94 1HG PRO 94 11.247 0.892 7.955 661 HG3 PRO 94 2HG PRO 94 12.996 0.837 7.665 662 HD2 PRO 94 1HD PRO 94 11.184 0.790 5.653 663 HD3 PRO 94 2HD PRO 94 12.746 -0.049 5.553 664 H TYR 95 H TYR 95 8.946 -1.101 6.496 665 HA TYR 95 HA TYR 95 7.477 -1.569 8.998 666 HB2 TYR 95 1HB TYR 95 7.079 0.327 6.707 667 HB3 TYR 95 2HB TYR 95 5.722 -0.106 7.741 668 HD1 TYR 95 1HD TYR 95 9.314 0.632 8.470 669 HD2 TYR 95 2HD TYR 95 5.242 1.664 9.144 670 HE1 TYR 95 1HE TYR 95 10.021 2.333 10.099 671 HE2 TYR 95 2HE TYR 95 5.938 3.369 10.774 672 HH TYR 95 HH TYR 95 8.982 3.503 12.107 673 H SER 96 H SER 96 7.876 -2.710 5.820 674 HA SER 96 HA SER 96 5.233 -3.915 5.662 675 HB2 SER 96 1HB SER 96 5.786 -3.350 3.516 676 HB3 SER 96 2HB SER 96 7.517 -3.533 3.801 677 HG SER 96 HG SER 96 7.381 -5.474 3.033 678 HA PRO 97 HA PRO 97 4.528 -5.719 4.279 679 HB2 PRO 97 1HB PRO 97 2.791 -7.548 5.283 680 HB3 PRO 97 2HB PRO 97 4.061 -7.963 4.125 681 HG2 PRO 97 1HG PRO 97 4.028 -8.294 7.100 682 HG3 PRO 97 2HG PRO 97 4.597 -9.421 5.856 683 HD2 PRO 97 1HD PRO 97 6.284 -7.868 7.295 684 HD3 PRO 97 2HD PRO 97 6.614 -8.334 5.614 685 H PHE 98 H PHE 98 2.748 -4.437 4.535 686 HA PHE 98 HA PHE 98 2.329 -3.304 7.167 687 HB2 PHE 98 1HB PHE 98 1.635 -2.561 4.381 688 HB3 PHE 98 2HB PHE 98 0.537 -2.002 5.638 689 HD1 PHE 98 2HD PHE 98 2.036 -1.164 7.821 690 HD2 PHE 98 1HD PHE 98 3.117 -0.959 3.710 691 HE1 PHE 98 2HE PHE 98 3.557 0.705 8.318 692 HE2 PHE 98 1HE PHE 98 4.640 0.910 4.200 693 HZ PHE 98 HZ PHE 98 4.861 1.745 6.506 694 H ARG 99 H ARG 99 1.076 -4.443 8.507 695 HA ARG 99 HA ARG 99 -1.092 -6.079 7.565 696 HB2 ARG 99 1HB ARG 99 -0.169 -5.347 10.347 697 HB3 ARG 99 2HB ARG 99 -1.491 -6.458 10.014 698 HG2 ARG 99 1HG ARG 99 0.078 -7.904 8.777 699 HG3 ARG 99 2HG ARG 99 1.391 -6.811 9.219 700 HD2 ARG 99 1HD ARG 99 0.588 -7.217 11.645 701 HD3 ARG 99 2HD ARG 99 -0.235 -8.621 10.966 702 HE ARG 99 HE ARG 99 2.324 -8.843 10.059 703 HH11 ARG 99 1HH1 ARG 99 0.862 -8.505 13.200 704 HH12 ARG 99 2HH1 ARG 99 2.105 -9.392 14.019 705 HH21 ARG 99 1HH2 ARG 99 3.967 -10.012 11.125 706 HH22 ARG 99 2HH2 ARG 99 3.872 -10.247 12.837 707 H ILE 100 H ILE 100 -2.779 -4.972 6.741 708 HA ILE 100 HA ILE 100 -3.985 -2.883 8.436 709 HB ILE 100 HB ILE 100 -4.375 -3.097 5.459 710 HG12 ILE 100 1HG1 ILE 100 -1.961 -2.755 6.038 711 HG13 ILE 100 2HG1 ILE 100 -2.676 -1.422 5.138 712 HG21 ILE 100 1HG2 ILE 100 -4.951 -0.995 7.527 713 HG22 ILE 100 2HG2 ILE 100 -4.938 -0.648 5.799 714 HG23 ILE 100 3HG2 ILE 100 -6.084 -1.817 6.455 715 HD11 ILE 100 1HD1 ILE 100 -2.723 -1.224 8.085 716 HD12 ILE 100 2HD1 ILE 100 -1.159 -1.062 7.286 717 HD13 ILE 100 3HD1 ILE 100 -2.482 0.024 6.863 718 H HIS 101 H HIS 101 -5.912 -3.350 9.250 719 HA HIS 101 HA HIS 101 -7.342 -5.695 8.299 720 HB2 HIS 101 1HB HIS 101 -6.906 -4.911 10.790 721 HB3 HIS 101 2HB HIS 101 -8.373 -3.977 10.514 722 HD1 HIS 101 1HD HIS 101 -7.397 -7.055 11.889 723 HD2 HIS 101 2HD HIS 101 -10.466 -5.906 9.335 724 HE1 HIS 101 1HE HIS 101 -9.126 -8.873 12.056 725 HE2 HIS 101 2HE HIS 101 -10.935 -8.198 10.438 726 H ALA 102 H ALA 102 -9.209 -5.680 7.187 727 HA ALA 102 HA ALA 102 -10.363 -3.050 6.532 728 HB1 ALA 102 1HB ALA 102 -9.820 -3.767 4.462 729 HB2 ALA 102 2HB ALA 102 -9.833 -5.468 4.928 730 HB3 ALA 102 3HB ALA 102 -11.351 -4.632 4.598 731 H LEU 103 H LEU 103 -12.282 -2.626 7.385 732 HA LEU 103 HA LEU 103 -13.912 -4.827 8.409 733 HB2 LEU 103 1HB LEU 103 -14.373 -1.877 8.778 734 HB3 LEU 103 2HB LEU 103 -15.065 -3.203 9.711 735 HG LEU 103 HG LEU 103 -12.119 -2.593 9.712 736 HD11 LEU 103 1HD1 LEU 103 -12.656 -0.674 10.735 737 HD12 LEU 103 2HD1 LEU 103 -13.034 -1.705 12.114 738 HD13 LEU 103 3HD1 LEU 103 -14.320 -1.179 11.029 739 HD21 LEU 103 1HD2 LEU 103 -11.973 -4.364 11.040 740 HD22 LEU 103 2HD2 LEU 103 -13.678 -4.696 10.737 741 HD23 LEU 103 3HD2 LEU 103 -13.204 -3.705 12.117 742 HA PRO 104 HA PRO 104 -16.707 -4.567 5.001 743 HB2 PRO 104 1HB PRO 104 -18.783 -5.910 6.122 744 HB3 PRO 104 2HB PRO 104 -17.318 -6.714 5.547 745 HG2 PRO 104 1HG PRO 104 -18.077 -5.929 8.334 746 HG3 PRO 104 2HG PRO 104 -17.331 -7.431 7.758 747 HD2 PRO 104 1HD PRO 104 -15.902 -5.447 8.922 748 HD3 PRO 104 2HD PRO 104 -15.227 -6.496 7.658 749 H THR 105 H THR 105 -17.478 -2.562 4.625 750 HA THR 105 HA THR 105 -19.773 -1.677 6.222 751 HB THR 105 HB THR 105 -17.778 -0.449 7.035 752 HG1 THR 105 1HG THR 105 -19.959 0.512 6.865 753 HG21 THR 105 1HG2 THR 105 -17.041 -0.389 4.374 754 HG22 THR 105 2HG2 THR 105 -16.287 0.527 5.679 755 HG23 THR 105 3HG2 THR 105 -17.549 1.269 4.695 756 H GLY 106 H GLY 106 -21.229 -0.279 5.119 757 HA2 GLY 106 1HA GLY 106 -21.051 0.873 2.665 758 HA3 GLY 106 2HA GLY 106 -21.361 -0.816 2.289 759 H ASP 107 H ASP 107 -22.783 2.124 2.815 760 HA ASP 107 HA ASP 107 -25.167 1.298 4.160 761 HB2 ASP 107 1HB ASP 107 -24.893 3.561 4.416 762 HB3 ASP 107 2HB ASP 107 -24.215 3.770 2.804 763 H ALA 108 H ALA 108 -24.429 2.113 0.772 764 HA ALA 108 HA ALA 108 -27.009 1.222 -0.137 765 HB1 ALA 108 1HB ALA 108 -26.443 2.691 -1.711 766 HB2 ALA 108 2HB ALA 108 -24.739 2.633 -1.259 767 HB3 ALA 108 3HB ALA 108 -25.396 1.435 -2.373 768 H SER 109 H SER 109 -27.024 -0.332 -2.092 769 HA SER 109 HA SER 109 -26.474 -2.890 -1.255 770 HB2 SER 109 1HB SER 109 -27.987 -2.532 -3.086 771 HB3 SER 109 2HB SER 109 -26.714 -1.809 -4.069 772 HG SER 109 HG SER 109 -27.212 -4.487 -3.478 773 H SER 110 H SER 110 -24.573 -1.056 -3.654 774 HA SER 110 HA SER 110 -22.239 -2.692 -2.901 775 HB2 SER 110 1HB SER 110 -23.033 -1.639 -5.622 776 HB3 SER 110 2HB SER 110 -21.437 -2.298 -5.264 777 HG SER 110 HG SER 110 -22.239 -4.237 -5.350 778 H GLY 111 H GLY 111 -20.282 -1.663 -2.634 779 HA2 GLY 111 1HA GLY 111 -20.358 1.058 -1.848 780 HA3 GLY 111 2HA GLY 111 -18.912 0.073 -2.009 781 HA PRO 112 HA PRO 112 -17.692 2.339 -5.552 782 HB2 PRO 112 1HB PRO 112 -16.515 0.426 -7.077 783 HB3 PRO 112 2HB PRO 112 -15.787 1.055 -5.594 784 HG2 PRO 112 1HG PRO 112 -17.340 -1.469 -6.020 785 HG3 PRO 112 2HG PRO 112 -15.857 -1.212 -5.082 786 HD2 PRO 112 1HD PRO 112 -18.301 -1.374 -3.928 787 HD3 PRO 112 2HD PRO 112 -17.000 -0.361 -3.271 788 H SER 113 H SER 113 -17.778 2.322 -8.012 789 HA SER 113 HA SER 113 -20.284 1.070 -8.928 790 HB2 SER 113 1HB SER 113 -20.677 3.076 -10.317 791 HB3 SER 113 2HB SER 113 -20.619 3.472 -8.600 792 HG SER 113 HG SER 113 -19.283 4.938 -9.405 793 H SER 114 H SER 114 -18.794 -0.643 -9.646 794 HA SER 114 HA SER 114 -17.860 -1.782 -11.388 795 HB2 SER 114 1HB SER 114 -19.406 -0.086 -12.706 796 HB3 SER 114 2HB SER 114 -17.858 0.625 -13.163 797 HG SER 114 HG SER 114 -17.633 -0.943 -14.526 798 H GLY 115 H GLY 115 -16.308 -0.350 -9.438 799 HA2 GLY 115 1HA GLY 115 -13.845 0.022 -11.019 800 HA3 GLY 115 2HA GLY 115 -14.265 1.140 -9.730 Start of MODEL 8 1 H1 GLY 1 H GLY 1 10.378 -7.568 -13.728 2 HA2 GLY 1 1HA GLY 1 10.264 -10.009 -13.631 3 HA3 GLY 1 2HA GLY 1 10.897 -10.033 -15.270 4 H SER 2 H SER 2 11.956 -8.213 -12.408 5 HA SER 2 HA SER 2 14.562 -9.572 -12.633 6 HB2 SER 2 1HB SER 2 13.902 -6.671 -12.275 7 HB3 SER 2 2HB SER 2 15.398 -7.308 -11.593 8 HG SER 2 HG SER 2 14.883 -6.638 -14.119 9 H SER 3 H SER 3 15.425 -10.395 -10.813 10 HA SER 3 HA SER 3 14.002 -9.869 -8.285 11 HB2 SER 3 1HB SER 3 14.506 -12.164 -7.611 12 HB3 SER 3 2HB SER 3 13.628 -12.161 -9.141 13 HG SER 3 HG SER 3 15.890 -13.339 -8.666 14 H GLY 4 H GLY 4 15.506 -8.135 -7.889 15 HA2 GLY 4 1HA GLY 4 17.285 -8.120 -6.075 16 HA3 GLY 4 2HA GLY 4 18.229 -9.058 -7.223 17 H SER 5 H SER 5 17.694 -6.017 -6.037 18 HA SER 5 HA SER 5 19.159 -4.825 -8.265 19 HB2 SER 5 1HB SER 5 16.616 -3.632 -7.133 20 HB3 SER 5 2HB SER 5 17.674 -2.857 -8.313 21 HG SER 5 HG SER 5 16.344 -5.336 -8.700 22 H SER 6 H SER 6 20.661 -3.373 -7.635 23 HA SER 6 HA SER 6 20.596 -2.449 -4.841 24 HB2 SER 6 1HB SER 6 22.987 -3.517 -6.358 25 HB3 SER 6 2HB SER 6 23.081 -2.714 -4.790 26 HG SER 6 HG SER 6 21.741 -4.377 -3.956 27 H GLY 7 H GLY 7 21.928 -0.520 -4.442 28 HA2 GLY 7 1HA GLY 7 23.163 1.070 -6.312 29 HA3 GLY 7 2HA GLY 7 21.454 1.455 -6.458 30 H ALA 8 H ALA 8 21.192 3.387 -5.541 31 HA ALA 8 HA ALA 8 22.221 3.749 -2.803 32 HB1 ALA 8 1HB ALA 8 23.217 5.123 -4.867 33 HB2 ALA 8 2HB ALA 8 21.846 6.161 -4.474 34 HB3 ALA 8 3HB ALA 8 23.062 5.805 -3.248 35 H HIS 9 H HIS 9 20.093 2.903 -2.203 36 HA HIS 9 HA HIS 9 18.159 5.079 -1.998 37 HB2 HIS 9 1HB HIS 9 16.287 3.509 -2.552 38 HB3 HIS 9 2HB HIS 9 17.332 3.890 -3.917 39 HD1 HIS 9 1HD HIS 9 18.753 1.980 -4.894 40 HD2 HIS 9 2HD HIS 9 16.389 0.844 -1.671 41 HE1 HIS 9 1HE HIS 9 18.808 -0.534 -4.872 42 HE2 HIS 9 2HE HIS 9 17.303 -1.200 -2.966 43 H ASP 10 H ASP 10 16.955 5.051 -0.132 44 HA ASP 10 HA ASP 10 17.490 2.834 1.735 45 HB2 ASP 10 1HB ASP 10 18.576 5.218 2.118 46 HB3 ASP 10 2HB ASP 10 16.981 5.591 2.766 47 H ALA 11 H ALA 11 15.604 1.733 1.606 48 HA ALA 11 HA ALA 11 13.054 2.846 1.263 49 HB1 ALA 11 1HB ALA 11 13.703 0.230 2.613 50 HB2 ALA 11 2HB ALA 11 12.187 0.680 1.831 51 HB3 ALA 11 3HB ALA 11 13.648 0.467 0.866 52 H SER 12 H SER 12 15.035 2.478 4.080 53 HA SER 12 HA SER 12 13.008 2.613 6.048 54 HB2 SER 12 1HB SER 12 14.746 2.891 7.618 55 HB3 SER 12 2HB SER 12 15.477 1.935 6.328 56 HG SER 12 HG SER 12 16.642 3.887 7.184 57 H LYS 13 H LYS 13 14.232 4.929 3.897 58 HA LYS 13 HA LYS 13 13.536 7.203 5.582 59 HB2 LYS 13 1HB LYS 13 14.644 7.063 2.773 60 HB3 LYS 13 2HB LYS 13 14.340 8.554 3.654 61 HG2 LYS 13 1HG LYS 13 16.063 6.529 4.959 62 HG3 LYS 13 2HG LYS 13 16.727 7.403 3.576 63 HD2 LYS 13 1HD LYS 13 17.340 8.812 5.274 64 HD3 LYS 13 2HD LYS 13 15.762 9.491 4.867 65 HE2 LYS 13 1HE LYS 13 15.852 7.322 6.891 66 HE3 LYS 13 2HE LYS 13 16.465 8.905 7.366 67 HZ1 LYS 13 1HZ LYS 13 13.985 9.130 5.994 68 HZ2 LYS 13 2HZ LYS 13 14.409 9.681 7.536 69 HZ3 LYS 13 3HZ LYS 13 13.838 8.102 7.330 70 H VAL 14 H VAL 14 11.680 5.124 4.159 71 HA VAL 14 HA VAL 14 9.986 6.998 2.676 72 HB VAL 14 HB VAL 14 9.764 3.999 2.972 73 HG11 VAL 14 1HG1 VAL 14 7.715 5.690 2.435 74 HG12 VAL 14 2HG1 VAL 14 8.320 5.366 0.809 75 HG13 VAL 14 3HG1 VAL 14 7.818 4.031 1.847 76 HG21 VAL 14 1HG2 VAL 14 10.426 3.996 0.578 77 HG22 VAL 14 2HG2 VAL 14 10.742 5.727 0.700 78 HG23 VAL 14 3HG2 VAL 14 11.691 4.587 1.655 79 H ARG 15 H ARG 15 8.218 7.859 3.544 80 HA ARG 15 HA ARG 15 7.349 6.915 6.173 81 HB2 ARG 15 1HB ARG 15 7.819 9.276 6.056 82 HB3 ARG 15 2HB ARG 15 6.777 9.460 4.651 83 HG2 ARG 15 1HG ARG 15 5.445 10.267 6.337 84 HG3 ARG 15 2HG ARG 15 4.921 8.585 6.246 85 HD2 ARG 15 1HD ARG 15 6.315 8.004 8.127 86 HD3 ARG 15 2HD ARG 15 6.992 9.631 8.170 87 HE ARG 15 HE ARG 15 4.120 9.475 8.490 88 HH11 ARG 15 1HH1 ARG 15 7.229 9.578 10.055 89 HH12 ARG 15 2HH1 ARG 15 6.595 10.142 11.565 90 HH21 ARG 15 1HH2 ARG 15 3.274 10.218 10.474 91 HH22 ARG 15 2HH2 ARG 15 4.345 10.505 11.803 92 H ALA 16 H ALA 16 5.166 6.481 6.644 93 HA ALA 16 HA ALA 16 3.366 6.171 4.347 94 HB1 ALA 16 1HB ALA 16 4.541 4.031 5.929 95 HB2 ALA 16 2HB ALA 16 2.779 3.964 5.883 96 HB3 ALA 16 3HB ALA 16 3.701 3.965 4.380 97 H SER 17 H SER 17 1.689 7.431 4.812 98 HA SER 17 HA SER 17 0.254 7.032 7.301 99 HB2 SER 17 1HB SER 17 1.645 9.592 6.594 100 HB3 SER 17 2HB SER 17 0.128 9.646 7.493 101 HG SER 17 HG SER 17 2.048 7.856 8.400 102 H GLY 18 H GLY 18 -1.873 7.048 6.937 103 HA2 GLY 18 1HA GLY 18 -3.404 8.792 5.518 104 HA3 GLY 18 2HA GLY 18 -2.850 7.657 4.297 105 HA PRO 19 HA PRO 19 -6.761 6.084 6.345 106 HB2 PRO 19 1HB PRO 19 -8.214 5.887 4.060 107 HB3 PRO 19 2HB PRO 19 -8.154 7.360 5.037 108 HG2 PRO 19 1HG PRO 19 -6.648 6.679 2.540 109 HG3 PRO 19 2HG PRO 19 -7.439 8.201 2.990 110 HD2 PRO 19 1HD PRO 19 -4.767 7.826 3.216 111 HD3 PRO 19 2HD PRO 19 -5.683 8.865 4.326 112 H GLY 20 H GLY 20 -5.264 5.202 3.240 113 HA2 GLY 20 1HA GLY 20 -6.196 2.547 3.152 114 HA3 GLY 20 2HA GLY 20 -4.779 3.160 2.312 115 H LEU 21 H LEU 21 -3.535 4.002 4.873 116 HA LEU 21 HA LEU 21 -2.590 1.341 5.686 117 HB2 LEU 21 1HB LEU 21 -1.251 4.014 6.061 118 HB3 LEU 21 2HB LEU 21 -0.557 2.433 6.411 119 HG LEU 21 HG LEU 21 -1.313 3.388 3.652 120 HD11 LEU 21 1HD1 LEU 21 1.494 3.088 4.626 121 HD12 LEU 21 2HD1 LEU 21 0.609 4.582 4.929 122 HD13 LEU 21 3HD1 LEU 21 0.869 4.032 3.274 123 HD21 LEU 21 1HD2 LEU 21 0.649 1.243 4.012 124 HD22 LEU 21 2HD2 LEU 21 -0.695 1.377 2.878 125 HD23 LEU 21 3HD2 LEU 21 -0.986 0.832 4.531 126 H ASN 22 H ASN 22 -5.009 2.391 6.754 127 HA ASN 22 HA ASN 22 -4.487 3.496 9.352 128 HB2 ASN 22 1HB ASN 22 -6.595 3.862 7.984 129 HB3 ASN 22 2HB ASN 22 -7.057 2.218 8.412 130 HD21 ASN 22 1HD2 ASN 22 -8.260 1.999 10.148 131 HD22 ASN 22 2HD2 ASN 22 -8.392 3.133 11.445 132 H ALA 23 H ALA 23 -3.795 2.386 11.045 133 HA ALA 23 HA ALA 23 -3.730 -0.479 11.051 134 HB1 ALA 23 1HB ALA 23 -3.180 0.966 13.564 135 HB2 ALA 23 2HB ALA 23 -2.248 -0.288 12.745 136 HB3 ALA 23 3HB ALA 23 -2.161 1.382 12.186 137 H SER 24 H SER 24 -5.844 1.956 12.313 138 HA SER 24 HA SER 24 -7.088 0.312 14.298 139 HB2 SER 24 1HB SER 24 -7.559 3.017 13.147 140 HB3 SER 24 2HB SER 24 -8.929 2.219 13.921 141 HG SER 24 HG SER 24 -7.306 3.584 15.207 142 H GLY 25 H GLY 25 -7.348 0.590 10.907 143 HA2 GLY 25 1HA GLY 25 -8.600 -1.391 9.970 144 HA3 GLY 25 2HA GLY 25 -9.942 -0.823 10.953 145 H ILE 26 H ILE 26 -9.236 -1.091 7.925 146 HA ILE 26 HA ILE 26 -9.997 1.638 7.137 147 HB ILE 26 HB ILE 26 -9.282 1.032 4.870 148 HG12 ILE 26 1HG1 ILE 26 -8.025 -1.482 5.876 149 HG13 ILE 26 2HG1 ILE 26 -9.738 -1.513 5.473 150 HG21 ILE 26 1HG2 ILE 26 -7.701 2.004 6.530 151 HG22 ILE 26 2HG2 ILE 26 -7.138 0.371 6.880 152 HG23 ILE 26 3HG2 ILE 26 -6.920 1.052 5.268 153 HD11 ILE 26 1HD1 ILE 26 -9.276 -1.668 3.318 154 HD12 ILE 26 2HD1 ILE 26 -8.254 -0.231 3.382 155 HD13 ILE 26 3HD1 ILE 26 -7.571 -1.817 3.744 156 HA PRO 27 HA PRO 27 -14.054 0.301 6.079 157 HB2 PRO 27 1HB PRO 27 -14.672 2.195 4.234 158 HB3 PRO 27 2HB PRO 27 -14.599 2.530 5.968 159 HG2 PRO 27 1HG PRO 27 -12.552 3.060 3.849 160 HG3 PRO 27 2HG PRO 27 -13.072 4.101 5.187 161 HD2 PRO 27 1HD PRO 27 -10.790 2.645 5.275 162 HD3 PRO 27 2HD PRO 27 -11.755 2.997 6.724 163 H ALA 28 H ALA 28 -14.152 -1.586 4.991 164 HA ALA 28 HA ALA 28 -12.901 -2.060 2.487 165 HB1 ALA 28 1HB ALA 28 -13.299 -4.164 3.062 166 HB2 ALA 28 2HB ALA 28 -14.226 -3.596 4.451 167 HB3 ALA 28 3HB ALA 28 -15.037 -3.899 2.915 168 H SER 29 H SER 29 -14.116 -2.792 0.533 169 HA SER 29 HA SER 29 -15.485 -2.312 -1.220 170 HB2 SER 29 1HB SER 29 -17.798 -2.330 -0.827 171 HB3 SER 29 2HB SER 29 -17.147 -3.208 0.556 172 HG SER 29 HG SER 29 -18.194 -1.783 1.686 173 H LEU 30 H LEU 30 -13.768 -0.276 -0.474 174 HA LEU 30 HA LEU 30 -15.110 1.993 -1.616 175 HB2 LEU 30 1HB LEU 30 -15.748 2.309 0.688 176 HB3 LEU 30 2HB LEU 30 -14.078 2.111 1.213 177 HG LEU 30 HG LEU 30 -13.736 4.221 -0.368 178 HD11 LEU 30 1HD1 LEU 30 -16.364 4.004 -0.723 179 HD12 LEU 30 2HD1 LEU 30 -15.534 5.559 -0.709 180 HD13 LEU 30 3HD1 LEU 30 -16.372 4.994 0.737 181 HD21 LEU 30 1HD2 LEU 30 -13.580 5.503 1.558 182 HD22 LEU 30 2HD2 LEU 30 -13.400 3.859 2.171 183 HD23 LEU 30 3HD2 LEU 30 -14.946 4.695 2.329 184 HA PRO 31 HA PRO 31 -11.025 2.488 -3.204 185 HB2 PRO 31 1HB PRO 31 -11.308 4.985 -4.233 186 HB3 PRO 31 2HB PRO 31 -12.016 3.550 -4.984 187 HG2 PRO 31 1HG PRO 31 -13.304 5.594 -3.216 188 HG3 PRO 31 2HG PRO 31 -13.928 4.843 -4.696 189 HD2 PRO 31 1HD PRO 31 -14.688 4.042 -2.224 190 HD3 PRO 31 2HD PRO 31 -14.578 2.923 -3.598 191 H VAL 32 H VAL 32 -9.546 2.646 -1.586 192 HA VAL 32 HA VAL 32 -9.296 5.251 -0.227 193 HB VAL 32 HB VAL 32 -9.805 3.220 1.214 194 HG11 VAL 32 1HG1 VAL 32 -8.175 1.777 -0.122 195 HG12 VAL 32 2HG1 VAL 32 -6.904 2.550 0.828 196 HG13 VAL 32 3HG1 VAL 32 -8.159 1.606 1.633 197 HG21 VAL 32 1HG2 VAL 32 -9.091 4.832 2.606 198 HG22 VAL 32 2HG2 VAL 32 -7.609 3.879 2.677 199 HG23 VAL 32 3HG2 VAL 32 -7.722 5.254 1.578 200 H GLU 33 H GLU 33 -7.260 6.181 -0.021 201 HA GLU 33 HA GLU 33 -5.014 4.863 -1.353 202 HB2 GLU 33 1HB GLU 33 -4.483 7.013 -2.541 203 HB3 GLU 33 2HB GLU 33 -5.912 6.176 -3.131 204 HG2 GLU 33 1HG GLU 33 -7.356 7.753 -2.285 205 HG3 GLU 33 2HG GLU 33 -6.206 8.308 -1.070 206 H PHE 34 H PHE 34 -3.046 5.330 -0.488 207 HA PHE 34 HA PHE 34 -3.053 7.105 1.856 208 HB2 PHE 34 1HB PHE 34 -0.925 5.791 2.433 209 HB3 PHE 34 2HB PHE 34 -2.460 4.940 2.569 210 HD1 PHE 34 1HD PHE 34 -3.183 3.522 0.545 211 HD2 PHE 34 2HD PHE 34 0.797 4.889 1.181 212 HE1 PHE 34 1HE PHE 34 -2.343 1.764 -0.957 213 HE2 PHE 34 2HE PHE 34 1.644 3.134 -0.321 214 HZ PHE 34 HZ PHE 34 0.073 1.569 -1.393 215 H THR 35 H THR 35 -0.503 7.669 2.284 216 HA THR 35 HA THR 35 0.544 8.826 -0.210 217 HB THR 35 HB THR 35 0.295 10.281 2.430 218 HG1 THR 35 1HG THR 35 -1.481 10.012 0.591 219 HG21 THR 35 1HG2 THR 35 1.609 11.961 1.626 220 HG22 THR 35 2HG2 THR 35 1.168 11.651 -0.053 221 HG23 THR 35 3HG2 THR 35 2.346 10.617 0.755 222 H ILE 36 H ILE 36 2.594 8.291 -0.537 223 HA ILE 36 HA ILE 36 4.193 7.375 1.753 224 HB ILE 36 HB ILE 36 4.629 6.872 -1.193 225 HG12 ILE 36 1HG1 ILE 36 2.654 5.708 -0.256 226 HG13 ILE 36 2HG1 ILE 36 3.930 4.588 -0.722 227 HG21 ILE 36 1HG2 ILE 36 6.202 5.086 -0.155 228 HG22 ILE 36 2HG2 ILE 36 6.752 6.755 -0.290 229 HG23 ILE 36 3HG2 ILE 36 6.173 6.141 1.258 230 HD11 ILE 36 1HD1 ILE 36 2.731 5.078 1.875 231 HD12 ILE 36 2HD1 ILE 36 3.642 3.687 1.287 232 HD13 ILE 36 3HD1 ILE 36 4.494 5.098 1.914 233 H ASP 37 H ASP 37 4.898 9.397 2.476 234 HA ASP 37 HA ASP 37 6.286 11.176 0.666 235 HB2 ASP 37 1HB ASP 37 6.063 11.337 3.677 236 HB3 ASP 37 2HB ASP 37 6.551 12.630 2.585 237 H ALA 38 H ALA 38 8.142 10.243 -0.056 238 HA ALA 38 HA ALA 38 10.166 9.621 1.991 239 HB1 ALA 38 1HB ALA 38 10.865 7.703 0.921 240 HB2 ALA 38 2HB ALA 38 9.120 7.635 0.669 241 HB3 ALA 38 3HB ALA 38 10.178 8.189 -0.629 242 H ARG 39 H ARG 39 11.784 11.020 1.873 243 HA ARG 39 HA ARG 39 12.289 12.440 -0.628 244 HB2 ARG 39 1HB ARG 39 13.470 12.902 2.117 245 HB3 ARG 39 2HB ARG 39 13.648 13.952 0.718 246 HG2 ARG 39 1HG ARG 39 11.973 15.062 1.745 247 HG3 ARG 39 2HG ARG 39 10.988 13.901 0.853 248 HD2 ARG 39 1HD ARG 39 10.236 13.999 3.142 249 HD3 ARG 39 2HD ARG 39 10.986 12.432 2.838 250 HE ARG 39 HE ARG 39 12.905 14.212 3.875 251 HH11 ARG 39 1HH1 ARG 39 10.082 12.416 4.838 252 HH12 ARG 39 2HH1 ARG 39 10.578 12.272 6.492 253 HH21 ARG 39 1HH2 ARG 39 13.568 14.030 6.050 254 HH22 ARG 39 2HH2 ARG 39 12.560 13.191 7.181 255 H ASP 40 H ASP 40 14.236 10.839 1.899 256 HA ASP 40 HA ASP 40 16.429 10.508 0.018 257 HB2 ASP 40 1HB ASP 40 16.106 10.046 2.971 258 HB3 ASP 40 2HB ASP 40 17.489 9.387 2.102 259 H ALA 41 H ALA 41 13.831 9.035 -0.218 260 HA ALA 41 HA ALA 41 14.116 6.344 0.489 261 HB1 ALA 41 1HB ALA 41 12.137 7.773 -0.618 262 HB2 ALA 41 2HB ALA 41 12.726 6.927 -2.050 263 HB3 ALA 41 3HB ALA 41 12.188 6.010 -0.643 264 H GLY 42 H GLY 42 15.472 8.184 -2.145 265 HA2 GLY 42 1HA GLY 42 17.610 7.178 -2.974 266 HA3 GLY 42 2HA GLY 42 16.684 5.701 -3.196 267 H GLU 43 H GLU 43 17.770 6.156 -5.396 268 HA GLU 43 HA GLU 43 16.016 7.882 -7.012 269 HB2 GLU 43 1HB GLU 43 17.816 7.945 -8.666 270 HB3 GLU 43 2HB GLU 43 18.383 8.507 -7.099 271 HG2 GLU 43 1HG GLU 43 19.243 6.142 -6.739 272 HG3 GLU 43 2HG GLU 43 18.956 5.898 -8.461 273 H GLY 44 H GLY 44 14.776 5.637 -6.453 274 HA2 GLY 44 1HA GLY 44 15.120 3.982 -8.877 275 HA3 GLY 44 2HA GLY 44 14.739 3.275 -7.313 276 H LEU 45 H LEU 45 12.836 2.339 -8.117 277 HA LEU 45 HA LEU 45 10.659 4.268 -8.586 278 HB2 LEU 45 1HB LEU 45 9.680 2.882 -10.188 279 HB3 LEU 45 2HB LEU 45 11.398 2.873 -10.579 280 HG LEU 45 HG LEU 45 11.323 0.672 -9.080 281 HD11 LEU 45 1HD1 LEU 45 8.891 0.976 -8.633 282 HD12 LEU 45 2HD1 LEU 45 9.303 -0.571 -9.371 283 HD13 LEU 45 3HD1 LEU 45 8.592 0.711 -10.351 284 HD21 LEU 45 1HD2 LEU 45 11.637 -0.467 -11.026 285 HD22 LEU 45 2HD2 LEU 45 11.814 1.178 -11.638 286 HD23 LEU 45 3HD2 LEU 45 10.285 0.321 -11.838 287 H LEU 46 H LEU 46 8.948 4.116 -7.275 288 HA LEU 46 HA LEU 46 8.992 2.231 -5.113 289 HB2 LEU 46 1HB LEU 46 8.253 4.403 -4.577 290 HB3 LEU 46 2HB LEU 46 7.118 4.432 -5.925 291 HG LEU 46 HG LEU 46 5.992 2.461 -4.587 292 HD11 LEU 46 1HD1 LEU 46 6.624 3.863 -2.139 293 HD12 LEU 46 2HD1 LEU 46 8.053 3.110 -2.847 294 HD13 LEU 46 3HD1 LEU 46 6.631 2.133 -2.484 295 HD21 LEU 46 1HD2 LEU 46 4.663 4.297 -4.994 296 HD22 LEU 46 2HD2 LEU 46 5.781 5.416 -4.215 297 HD23 LEU 46 3HD2 LEU 46 4.786 4.338 -3.235 298 H THR 47 H THR 47 7.708 0.482 -4.768 299 HA THR 47 HA THR 47 5.751 -0.198 -6.862 300 HB THR 47 HB THR 47 6.400 -2.575 -6.640 301 HG1 THR 47 1HG THR 47 8.593 -2.828 -5.624 302 HG21 THR 47 1HG2 THR 47 8.529 -0.612 -7.471 303 HG22 THR 47 2HG2 THR 47 7.351 -1.437 -8.492 304 HG23 THR 47 3HG2 THR 47 8.665 -2.348 -7.749 305 H VAL 48 H VAL 48 3.884 -1.205 -6.200 306 HA VAL 48 HA VAL 48 3.580 -1.710 -3.317 307 HB VAL 48 HB VAL 48 1.643 -0.207 -5.080 308 HG11 VAL 48 1HG1 VAL 48 0.083 -1.213 -3.810 309 HG12 VAL 48 2HG1 VAL 48 1.251 -1.698 -2.579 310 HG13 VAL 48 3HG1 VAL 48 0.601 -0.058 -2.582 311 HG21 VAL 48 1HG2 VAL 48 2.435 0.955 -2.527 312 HG22 VAL 48 2HG2 VAL 48 3.786 0.731 -3.638 313 HG23 VAL 48 3HG2 VAL 48 2.384 1.680 -4.134 314 H GLN 49 H GLN 49 2.378 -3.468 -2.767 315 HA GLN 49 HA GLN 49 0.874 -4.865 -4.849 316 HB2 GLN 49 1HB GLN 49 3.054 -5.902 -4.949 317 HB3 GLN 49 2HB GLN 49 3.081 -6.107 -3.203 318 HG2 GLN 49 1HG GLN 49 1.229 -7.678 -3.345 319 HG3 GLN 49 2HG GLN 49 1.166 -7.456 -5.093 320 HE21 GLN 49 1HE2 GLN 49 1.769 -9.783 -3.252 321 HE22 GLN 49 2HE2 GLN 49 3.239 -10.442 -3.878 322 H ILE 50 H ILE 50 -1.015 -5.602 -4.119 323 HA ILE 50 HA ILE 50 -1.353 -5.913 -1.207 324 HB ILE 50 HB ILE 50 -3.548 -5.052 -3.082 325 HG12 ILE 50 1HG1 ILE 50 -1.942 -3.243 -1.272 326 HG13 ILE 50 2HG1 ILE 50 -1.624 -3.412 -2.995 327 HG21 ILE 50 1HG2 ILE 50 -3.804 -4.197 -0.360 328 HG22 ILE 50 2HG2 ILE 50 -4.868 -5.234 -1.308 329 HG23 ILE 50 3HG2 ILE 50 -3.517 -5.936 -0.418 330 HD11 ILE 50 1HD1 ILE 50 -4.062 -2.745 -3.326 331 HD12 ILE 50 2HD1 ILE 50 -4.015 -2.229 -1.640 332 HD13 ILE 50 3HD1 ILE 50 -2.928 -1.494 -2.818 333 H LEU 51 H LEU 51 -2.093 -7.822 -0.534 334 HA LEU 51 HA LEU 51 -3.237 -9.649 -2.544 335 HB2 LEU 51 1HB LEU 51 -1.583 -10.269 -0.103 336 HB3 LEU 51 2HB LEU 51 -2.371 -11.484 -1.107 337 HG LEU 51 HG LEU 51 -0.017 -9.742 -1.762 338 HD11 LEU 51 1HD1 LEU 51 0.623 -12.163 -2.627 339 HD12 LEU 51 2HD1 LEU 51 -0.571 -12.635 -1.418 340 HD13 LEU 51 3HD1 LEU 51 0.836 -11.684 -0.943 341 HD21 LEU 51 1HD2 LEU 51 -1.397 -9.482 -3.678 342 HD22 LEU 51 2HD2 LEU 51 -1.843 -11.189 -3.670 343 HD23 LEU 51 3HD2 LEU 51 -0.194 -10.709 -4.076 344 H ASP 52 H ASP 52 -5.349 -9.883 -2.272 345 HA ASP 52 HA ASP 52 -6.926 -9.066 -0.212 346 HB2 ASP 52 1HB ASP 52 -8.362 -11.206 -0.970 347 HB3 ASP 52 2HB ASP 52 -8.239 -9.744 -1.945 348 HA PRO 53 HA PRO 53 -6.454 -11.684 3.274 349 HB2 PRO 53 1HB PRO 53 -9.010 -12.056 4.109 350 HB3 PRO 53 2HB PRO 53 -8.159 -10.516 4.278 351 HG2 PRO 53 1HG PRO 53 -10.140 -11.367 2.202 352 HG3 PRO 53 2HG PRO 53 -10.016 -9.822 3.062 353 HD2 PRO 53 1HD PRO 53 -9.098 -10.161 0.538 354 HD3 PRO 53 2HD PRO 53 -8.332 -9.050 1.691 355 H GLU 54 H GLU 54 -7.540 -12.871 0.445 356 HA GLU 54 HA GLU 54 -8.218 -15.521 1.516 357 HB2 GLU 54 1HB GLU 54 -8.661 -14.279 -1.199 358 HB3 GLU 54 2HB GLU 54 -8.935 -15.983 -0.867 359 HG2 GLU 54 1HG GLU 54 -10.719 -15.536 0.575 360 HG3 GLU 54 2HG GLU 54 -10.276 -13.837 0.736 361 H GLY 55 H GLY 55 -5.907 -13.773 -0.429 362 HA2 GLY 55 1HA GLY 55 -3.620 -14.671 -0.399 363 HA3 GLY 55 2HA GLY 55 -4.326 -16.259 -0.658 364 H LYS 56 H LYS 56 -5.246 -13.269 -2.287 365 HA LYS 56 HA LYS 56 -4.041 -14.287 -4.767 366 HB2 LYS 56 1HB LYS 56 -6.777 -13.021 -4.680 367 HB3 LYS 56 2HB LYS 56 -6.008 -13.837 -6.035 368 HG2 LYS 56 1HG LYS 56 -6.713 -15.248 -3.479 369 HG3 LYS 56 2HG LYS 56 -7.825 -15.113 -4.843 370 HD2 LYS 56 1HD LYS 56 -6.196 -16.233 -6.284 371 HD3 LYS 56 2HD LYS 56 -5.075 -16.356 -4.926 372 HE2 LYS 56 1HE LYS 56 -6.859 -17.656 -3.717 373 HE3 LYS 56 2HE LYS 56 -7.756 -17.693 -5.234 374 HZ1 LYS 56 1HZ LYS 56 -5.356 -19.141 -4.462 375 HZ2 LYS 56 2HZ LYS 56 -5.398 -18.578 -6.056 376 HZ3 LYS 56 3HZ LYS 56 -6.618 -19.604 -5.491 377 HA PRO 57 HA PRO 57 -2.526 -10.204 -5.332 378 HB2 PRO 57 1HB PRO 57 -2.446 -10.059 -8.042 379 HB3 PRO 57 2HB PRO 57 -1.312 -11.033 -7.098 380 HG2 PRO 57 1HG PRO 57 -3.779 -11.887 -8.563 381 HG3 PRO 57 2HG PRO 57 -2.191 -12.673 -8.493 382 HD2 PRO 57 1HD PRO 57 -4.293 -13.503 -7.003 383 HD3 PRO 57 2HD PRO 57 -2.615 -13.630 -6.439 384 H LYS 58 H LYS 58 -3.361 -8.200 -5.367 385 HA LYS 58 HA LYS 58 -6.047 -7.856 -6.517 386 HB2 LYS 58 1HB LYS 58 -4.629 -6.367 -4.304 387 HB3 LYS 58 2HB LYS 58 -6.173 -5.867 -4.982 388 HG2 LYS 58 1HG LYS 58 -5.691 -8.551 -3.712 389 HG3 LYS 58 2HG LYS 58 -6.335 -7.149 -2.854 390 HD2 LYS 58 1HD LYS 58 -7.592 -8.315 -5.333 391 HD3 LYS 58 2HD LYS 58 -8.062 -8.766 -3.693 392 HE2 LYS 58 1HE LYS 58 -8.288 -6.157 -3.406 393 HE3 LYS 58 2HE LYS 58 -8.472 -6.205 -5.159 394 HZ1 LYS 58 1HZ LYS 58 -10.387 -7.496 -4.995 395 HZ2 LYS 58 2HZ LYS 58 -10.566 -6.363 -3.752 396 HZ3 LYS 58 3HZ LYS 58 -10.081 -7.943 -3.392 397 H LYS 59 H LYS 59 -6.361 -5.288 -6.886 398 HA LYS 59 HA LYS 59 -4.240 -4.545 -8.786 399 HB2 LYS 59 1HB LYS 59 -6.633 -4.986 -9.597 400 HB3 LYS 59 2HB LYS 59 -7.056 -3.477 -8.799 401 HG2 LYS 59 1HG LYS 59 -6.693 -2.853 -11.003 402 HG3 LYS 59 2HG LYS 59 -5.176 -2.438 -10.202 403 HD2 LYS 59 1HD LYS 59 -4.404 -3.522 -12.079 404 HD3 LYS 59 2HD LYS 59 -4.482 -4.857 -10.927 405 HE2 LYS 59 1HE LYS 59 -6.809 -5.306 -11.826 406 HE3 LYS 59 2HE LYS 59 -6.424 -4.175 -13.122 407 HZ1 LYS 59 1HZ LYS 59 -4.719 -6.516 -12.511 408 HZ2 LYS 59 2HZ LYS 59 -4.724 -5.563 -13.909 409 HZ3 LYS 59 3HZ LYS 59 -6.019 -6.604 -13.591 410 H ALA 60 H ALA 60 -2.976 -2.922 -8.195 411 HA ALA 60 HA ALA 60 -4.119 -0.776 -6.531 412 HB1 ALA 60 1HB ALA 60 -1.268 -1.150 -6.134 413 HB2 ALA 60 2HB ALA 60 -2.568 -1.015 -4.949 414 HB3 ALA 60 3HB ALA 60 -2.203 -2.577 -5.684 415 H ASN 61 H ASN 61 -3.188 1.313 -6.811 416 HA ASN 61 HA ASN 61 -1.745 1.632 -9.361 417 HB2 ASN 61 1HB ASN 61 -3.699 3.609 -8.171 418 HB3 ASN 61 2HB ASN 61 -2.954 3.676 -9.765 419 HD21 ASN 61 1HD2 ASN 61 -5.238 1.945 -7.751 420 HD22 ASN 61 2HD2 ASN 61 -6.147 1.254 -9.048 421 H ILE 62 H ILE 62 -0.148 3.218 -9.481 422 HA ILE 62 HA ILE 62 0.626 4.464 -6.928 423 HB ILE 62 HB ILE 62 2.526 3.218 -8.920 424 HG12 ILE 62 1HG1 ILE 62 2.271 2.318 -6.083 425 HG13 ILE 62 2HG1 ILE 62 1.055 1.788 -7.240 426 HG21 ILE 62 1HG2 ILE 62 3.385 5.248 -7.801 427 HG22 ILE 62 2HG2 ILE 62 3.101 4.476 -6.242 428 HG23 ILE 62 3HG2 ILE 62 4.278 3.792 -7.363 429 HD11 ILE 62 1HD1 ILE 62 3.309 1.233 -8.608 430 HD12 ILE 62 2HD1 ILE 62 3.862 0.996 -6.950 431 HD13 ILE 62 3HD1 ILE 62 2.477 0.089 -7.556 432 H ARG 63 H ARG 63 1.451 6.518 -7.033 433 HA ARG 63 HA ARG 63 1.604 7.747 -9.706 434 HB2 ARG 63 1HB ARG 63 -0.468 8.444 -8.630 435 HB3 ARG 63 2HB ARG 63 0.419 8.942 -7.195 436 HG2 ARG 63 1HG ARG 63 1.480 10.723 -8.389 437 HG3 ARG 63 2HG ARG 63 0.805 10.159 -9.919 438 HD2 ARG 63 1HD ARG 63 -1.405 10.727 -9.245 439 HD3 ARG 63 2HD ARG 63 -0.889 11.021 -7.585 440 HE ARG 63 HE ARG 63 0.471 12.730 -9.401 441 HH11 ARG 63 1HH1 ARG 63 -2.584 12.258 -7.798 442 HH12 ARG 63 2HH1 ARG 63 -3.008 13.938 -7.830 443 HH21 ARG 63 1HH2 ARG 63 -0.076 14.944 -9.448 444 HH22 ARG 63 2HH2 ARG 63 -1.581 15.465 -8.769 445 H ASP 64 H ASP 64 3.067 9.496 -9.935 446 HA ASP 64 HA ASP 64 5.178 9.529 -7.880 447 HB2 ASP 64 1HB ASP 64 6.645 10.311 -9.822 448 HB3 ASP 64 2HB ASP 64 6.123 8.629 -9.850 449 H ASN 65 H ASN 65 5.241 11.331 -6.727 450 HA ASN 65 HA ASN 65 3.999 13.758 -7.720 451 HB2 ASN 65 1HB ASN 65 5.009 12.810 -5.073 452 HB3 ASN 65 2HB ASN 65 4.872 14.544 -5.346 453 HD21 ASN 65 1HD2 ASN 65 3.109 11.517 -5.277 454 HD22 ASN 65 2HD2 ASN 65 1.552 12.213 -4.999 455 H GLY 66 H GLY 66 7.212 12.641 -6.725 456 HA2 GLY 66 1HA GLY 66 9.240 13.349 -7.676 457 HA3 GLY 66 2HA GLY 66 8.403 14.720 -8.388 458 H ASP 67 H ASP 67 7.170 15.163 -5.617 459 HA ASP 67 HA ASP 67 9.269 16.941 -4.700 460 HB2 ASP 67 1HB ASP 67 7.023 17.833 -4.796 461 HB3 ASP 67 2HB ASP 67 6.421 16.532 -3.773 462 H GLY 68 H GLY 68 9.452 13.965 -4.397 463 HA2 GLY 68 1HA GLY 68 10.613 12.710 -2.813 464 HA3 GLY 68 2HA GLY 68 10.366 14.000 -1.646 465 H THR 69 H THR 69 7.620 12.848 -3.381 466 HA THR 69 HA THR 69 6.870 10.997 -1.253 467 HB THR 69 HB THR 69 4.765 12.041 -0.780 468 HG1 THR 69 1HG THR 69 4.206 12.947 -2.737 469 HG21 THR 69 1HG2 THR 69 7.037 12.985 0.170 470 HG22 THR 69 2HG2 THR 69 5.504 13.780 0.529 471 HG23 THR 69 3HG2 THR 69 6.557 14.423 -0.730 472 H TYR 70 H TYR 70 4.578 10.089 -1.787 473 HA TYR 70 HA TYR 70 4.005 9.964 -4.627 474 HB2 TYR 70 1HB TYR 70 4.749 7.460 -3.101 475 HB3 TYR 70 2HB TYR 70 4.217 7.538 -4.777 476 HD1 TYR 70 1HD TYR 70 6.899 8.846 -2.533 477 HD2 TYR 70 2HD TYR 70 5.807 7.626 -6.461 478 HE1 TYR 70 1HE TYR 70 9.236 9.103 -3.256 479 HE2 TYR 70 2HE TYR 70 8.141 7.879 -7.194 480 HH TYR 70 HH TYR 70 10.184 8.565 -6.632 481 H THR 71 H THR 71 2.040 8.680 -5.076 482 HA THR 71 HA THR 71 0.283 8.419 -2.732 483 HB THR 71 HB THR 71 -0.507 9.694 -5.359 484 HG1 THR 71 1HG THR 71 -0.401 11.588 -4.294 485 HG21 THR 71 1HG2 THR 71 -2.152 9.519 -2.844 486 HG22 THR 71 2HG2 THR 71 -2.248 8.305 -4.119 487 HG23 THR 71 3HG2 THR 71 -2.672 9.981 -4.464 488 H VAL 72 H VAL 72 -0.961 6.633 -2.699 489 HA VAL 72 HA VAL 72 -1.209 5.056 -5.170 490 HB VAL 72 HB VAL 72 -0.548 3.929 -2.445 491 HG11 VAL 72 1HG1 VAL 72 -1.049 1.877 -3.192 492 HG12 VAL 72 2HG1 VAL 72 -2.005 2.719 -4.413 493 HG13 VAL 72 3HG1 VAL 72 -0.366 2.187 -4.787 494 HG21 VAL 72 1HG2 VAL 72 1.609 3.513 -3.190 495 HG22 VAL 72 2HG2 VAL 72 1.163 3.678 -4.889 496 HG23 VAL 72 3HG2 VAL 72 1.271 5.108 -3.863 497 H SER 73 H SER 73 -3.164 4.135 -5.516 498 HA SER 73 HA SER 73 -5.163 4.337 -3.361 499 HB2 SER 73 1HB SER 73 -6.818 5.103 -4.880 500 HB3 SER 73 2HB SER 73 -5.385 6.070 -5.226 501 HG SER 73 HG SER 73 -6.149 3.735 -6.648 502 H TYR 74 H TYR 74 -6.744 2.725 -3.281 503 HA TYR 74 HA TYR 74 -6.772 0.585 -5.208 504 HB2 TYR 74 1HB TYR 74 -6.059 -1.185 -3.740 505 HB3 TYR 74 2HB TYR 74 -4.797 0.042 -3.772 506 HD1 TYR 74 1HD TYR 74 -4.474 1.535 -1.821 507 HD2 TYR 74 2HD TYR 74 -7.231 -1.705 -1.724 508 HE1 TYR 74 1HE TYR 74 -4.538 1.670 0.634 509 HE2 TYR 74 2HE TYR 74 -7.303 -1.577 0.731 510 HH TYR 74 HH TYR 74 -6.138 -0.744 2.566 511 H LEU 75 H LEU 75 -8.388 -1.085 -4.646 512 HA LEU 75 HA LEU 75 -10.443 -0.061 -2.802 513 HB2 LEU 75 1HB LEU 75 -11.219 0.425 -4.996 514 HB3 LEU 75 2HB LEU 75 -10.778 -1.181 -5.574 515 HG LEU 75 HG LEU 75 -12.571 -1.896 -3.735 516 HD11 LEU 75 1HD1 LEU 75 -13.468 0.840 -4.627 517 HD12 LEU 75 2HD1 LEU 75 -13.034 0.366 -2.985 518 HD13 LEU 75 3HD1 LEU 75 -14.457 -0.333 -3.757 519 HD21 LEU 75 1HD2 LEU 75 -13.728 -0.882 -6.274 520 HD22 LEU 75 2HD2 LEU 75 -13.912 -2.452 -5.491 521 HD23 LEU 75 3HD2 LEU 75 -12.432 -2.074 -6.374 522 HA PRO 76 HA PRO 76 -9.537 -4.266 -1.344 523 HB2 PRO 76 1HB PRO 76 -10.459 -3.812 1.169 524 HB3 PRO 76 2HB PRO 76 -8.838 -3.346 0.642 525 HG2 PRO 76 1HG PRO 76 -11.305 -1.669 0.885 526 HG3 PRO 76 2HG PRO 76 -9.639 -1.284 1.357 527 HD2 PRO 76 1HD PRO 76 -10.750 -0.372 -0.938 528 HD3 PRO 76 2HD PRO 76 -9.020 -0.744 -0.796 529 H ASP 77 H ASP 77 -11.295 -4.886 -2.850 530 HA ASP 77 HA ASP 77 -14.003 -4.692 -2.369 531 HB2 ASP 77 1HB ASP 77 -12.808 -5.699 -4.391 532 HB3 ASP 77 2HB ASP 77 -12.725 -7.194 -3.463 533 H MET 78 H MET 78 -11.858 -7.355 -1.358 534 HA MET 78 HA MET 78 -13.915 -8.503 0.304 535 HB2 MET 78 1HB MET 78 -11.028 -9.191 -0.205 536 HB3 MET 78 2HB MET 78 -11.986 -10.034 1.004 537 HG2 MET 78 1HG MET 78 -12.556 -9.891 -1.947 538 HG3 MET 78 2HG MET 78 -11.938 -11.283 -1.060 539 HE1 MET 78 1HE MET 78 -14.599 -12.653 -2.290 540 HE2 MET 78 2HE MET 78 -13.191 -12.982 -1.280 541 HE3 MET 78 3HE MET 78 -14.815 -13.261 -0.648 542 H SER 79 H SER 79 -13.342 -9.083 2.621 543 HA SER 79 HA SER 79 -12.091 -6.754 3.925 544 HB2 SER 79 1HB SER 79 -13.660 -7.104 5.797 545 HB3 SER 79 2HB SER 79 -14.515 -6.801 4.285 546 HG SER 79 HG SER 79 -14.349 -9.320 4.261 547 H GLY 80 H GLY 80 -10.864 -7.108 5.803 548 HA2 GLY 80 1HA GLY 80 -10.323 -8.993 7.470 549 HA3 GLY 80 2HA GLY 80 -9.844 -9.862 6.020 550 H ARG 81 H ARG 81 -7.734 -10.051 6.960 551 HA ARG 81 HA ARG 81 -6.193 -7.619 7.327 552 HB2 ARG 81 1HB ARG 81 -6.050 -9.869 8.678 553 HB3 ARG 81 2HB ARG 81 -4.984 -10.355 7.367 554 HG2 ARG 81 1HG ARG 81 -3.536 -8.446 7.828 555 HG3 ARG 81 2HG ARG 81 -4.609 -7.950 9.139 556 HD2 ARG 81 1HD ARG 81 -2.909 -9.109 10.230 557 HD3 ARG 81 2HD ARG 81 -4.199 -10.303 10.087 558 HE ARG 81 HE ARG 81 -2.474 -10.495 7.867 559 HH11 ARG 81 1HH1 ARG 81 -2.582 -11.166 11.281 560 HH12 ARG 81 2HH1 ARG 81 -1.446 -12.471 11.193 561 HH21 ARG 81 1HH2 ARG 81 -0.978 -12.212 7.738 562 HH22 ARG 81 2HH2 ARG 81 -0.533 -13.065 9.177 563 H TYR 82 H TYR 82 -5.654 -6.626 5.476 564 HA TYR 82 HA TYR 82 -4.929 -8.156 3.121 565 HB2 TYR 82 1HB TYR 82 -5.496 -5.290 3.713 566 HB3 TYR 82 2HB TYR 82 -4.489 -5.658 2.317 567 HD1 TYR 82 2HD TYR 82 -7.808 -6.315 3.840 568 HD2 TYR 82 1HD TYR 82 -5.450 -6.399 0.299 569 HE1 TYR 82 2HE TYR 82 -9.828 -6.772 2.512 570 HE2 TYR 82 1HE TYR 82 -7.463 -6.856 -1.038 571 HH TYR 82 HH TYR 82 -10.155 -6.301 -0.559 572 H THR 83 H THR 83 -2.920 -8.270 2.201 573 HA THR 83 HA THR 83 -0.689 -7.437 3.918 574 HB THR 83 HB THR 83 -0.561 -9.389 1.618 575 HG1 THR 83 1HG THR 83 -1.955 -10.280 3.126 576 HG21 THR 83 1HG2 THR 83 1.528 -8.242 2.614 577 HG22 THR 83 2HG2 THR 83 1.540 -9.997 2.434 578 HG23 THR 83 3HG2 THR 83 1.241 -9.274 4.014 579 H ILE 84 H ILE 84 -0.093 -5.423 3.333 580 HA ILE 84 HA ILE 84 0.168 -4.789 0.484 581 HB ILE 84 HB ILE 84 0.439 -2.915 2.835 582 HG12 ILE 84 1HG1 ILE 84 -1.954 -3.299 1.026 583 HG13 ILE 84 2HG1 ILE 84 -1.824 -3.983 2.643 584 HG21 ILE 84 1HG2 ILE 84 1.416 -2.445 0.446 585 HG22 ILE 84 2HG2 ILE 84 -0.265 -2.074 0.066 586 HG23 ILE 84 3HG2 ILE 84 0.569 -1.182 1.339 587 HD11 ILE 84 1HD1 ILE 84 -2.941 -2.109 3.190 588 HD12 ILE 84 2HD1 ILE 84 -1.320 -1.414 3.201 589 HD13 ILE 84 3HD1 ILE 84 -2.354 -1.217 1.787 590 H THR 85 H THR 85 2.078 -5.427 -0.304 591 HA THR 85 HA THR 85 4.491 -5.099 1.325 592 HB THR 85 HB THR 85 4.274 -6.472 -1.356 593 HG1 THR 85 1HG THR 85 4.095 -8.397 -0.133 594 HG21 THR 85 1HG2 THR 85 6.489 -6.631 -1.171 595 HG22 THR 85 2HG2 THR 85 6.264 -7.594 0.290 596 HG23 THR 85 3HG2 THR 85 6.449 -5.844 0.406 597 H ILE 86 H ILE 86 5.513 -3.223 1.116 598 HA ILE 86 HA ILE 86 5.529 -1.908 -1.519 599 HB ILE 86 HB ILE 86 5.993 -0.676 1.199 600 HG12 ILE 86 1HG1 ILE 86 3.681 -0.148 -0.658 601 HG13 ILE 86 2HG1 ILE 86 3.622 -1.431 0.546 602 HG21 ILE 86 1HG2 ILE 86 6.168 0.380 -1.586 603 HG22 ILE 86 2HG2 ILE 86 5.644 1.446 -0.283 604 HG23 ILE 86 3HG2 ILE 86 7.226 0.670 -0.204 605 HD11 ILE 86 1HD1 ILE 86 4.133 1.464 1.177 606 HD12 ILE 86 2HD1 ILE 86 2.557 0.677 1.270 607 HD13 ILE 86 3HD1 ILE 86 3.869 0.151 2.324 608 H LYS 87 H LYS 87 7.374 -1.927 -2.604 609 HA LYS 87 HA LYS 87 9.899 -2.106 -1.098 610 HB2 LYS 87 1HB LYS 87 9.040 -3.610 -3.559 611 HB3 LYS 87 2HB LYS 87 10.740 -3.383 -3.172 612 HG2 LYS 87 1HG LYS 87 10.479 -4.564 -1.094 613 HG3 LYS 87 2HG LYS 87 8.735 -4.680 -1.339 614 HD2 LYS 87 1HD LYS 87 8.946 -6.259 -3.019 615 HD3 LYS 87 2HD LYS 87 10.606 -5.789 -3.392 616 HE2 LYS 87 1HE LYS 87 9.812 -7.079 -0.791 617 HE3 LYS 87 2HE LYS 87 10.305 -8.006 -2.207 618 HZ1 LYS 87 1HZ LYS 87 12.095 -5.860 -1.436 619 HZ2 LYS 87 2HZ LYS 87 12.446 -7.435 -1.942 620 HZ3 LYS 87 3HZ LYS 87 11.995 -7.143 -0.338 621 H TYR 88 H TYR 88 11.460 -0.697 -1.659 622 HA TYR 88 HA TYR 88 10.893 1.095 -3.923 623 HB2 TYR 88 1HB TYR 88 11.034 2.040 -1.562 624 HB3 TYR 88 2HB TYR 88 12.754 1.673 -1.620 625 HD1 TYR 88 1HD TYR 88 10.076 3.712 -3.144 626 HD2 TYR 88 2HD TYR 88 14.268 3.064 -2.818 627 HE1 TYR 88 1HE TYR 88 10.489 5.863 -4.262 628 HE2 TYR 88 2HE TYR 88 14.693 5.214 -3.934 629 HH TYR 88 HH TYR 88 13.424 6.731 -5.548 630 H GLY 89 H GLY 89 12.182 1.019 -5.639 631 HA2 GLY 89 1HA GLY 89 13.872 0.251 -7.016 632 HA3 GLY 89 2HA GLY 89 14.890 1.001 -5.795 633 H GLY 90 H GLY 90 12.872 -1.741 -5.036 634 HA2 GLY 90 1HA GLY 90 13.447 -4.020 -4.929 635 HA3 GLY 90 2HA GLY 90 15.105 -3.598 -5.329 636 H ASP 91 H ASP 91 13.123 -2.179 -2.777 637 HA ASP 91 HA ASP 91 14.581 -3.649 -0.732 638 HB2 ASP 91 1HB ASP 91 14.963 -0.755 -1.317 639 HB3 ASP 91 2HB ASP 91 14.893 -1.238 0.375 640 H GLU 92 H GLU 92 12.883 -4.473 0.323 641 HA GLU 92 HA GLU 92 10.368 -3.204 0.566 642 HB2 GLU 92 1HB GLU 92 10.556 -5.615 0.704 643 HB3 GLU 92 2HB GLU 92 11.585 -5.488 2.124 644 HG2 GLU 92 1HG GLU 92 9.487 -4.194 3.079 645 HG3 GLU 92 2HG GLU 92 8.651 -5.167 1.870 646 H ILE 93 H ILE 93 9.728 -1.642 1.886 647 HA ILE 93 HA ILE 93 11.388 -0.298 3.659 648 HB ILE 93 HB ILE 93 9.277 0.679 4.612 649 HG12 ILE 93 1HG1 ILE 93 7.886 -0.941 2.479 650 HG13 ILE 93 2HG1 ILE 93 7.944 -1.445 4.165 651 HG21 ILE 93 1HG2 ILE 93 9.498 0.648 1.605 652 HG22 ILE 93 2HG2 ILE 93 8.688 1.877 2.574 653 HG23 ILE 93 3HG2 ILE 93 10.435 1.667 2.697 654 HD11 ILE 93 1HD1 ILE 93 6.028 -0.322 4.345 655 HD12 ILE 93 2HD1 ILE 93 7.049 1.116 4.379 656 HD13 ILE 93 3HD1 ILE 93 6.313 0.594 2.865 657 HA PRO 94 HA PRO 94 11.455 -2.641 7.373 658 HB2 PRO 94 1HB PRO 94 11.650 -0.660 9.219 659 HB3 PRO 94 2HB PRO 94 12.986 -1.118 8.157 660 HG2 PRO 94 1HG PRO 94 11.054 1.154 7.898 661 HG3 PRO 94 2HG PRO 94 12.808 1.140 7.632 662 HD2 PRO 94 1HD PRO 94 11.025 1.027 5.598 663 HD3 PRO 94 2HD PRO 94 12.608 0.227 5.526 664 H TYR 95 H TYR 95 8.823 -0.908 6.431 665 HA TYR 95 HA TYR 95 7.334 -1.389 8.919 666 HB2 TYR 95 1HB TYR 95 6.508 0.260 6.522 667 HB3 TYR 95 2HB TYR 95 5.664 0.155 8.062 668 HD1 TYR 95 1HD TYR 95 8.752 1.368 6.425 669 HD2 TYR 95 2HD TYR 95 6.305 1.505 9.903 670 HE1 TYR 95 1HE TYR 95 10.061 3.274 7.263 671 HE2 TYR 95 2HE TYR 95 7.607 3.412 10.750 672 HH TYR 95 HH TYR 95 9.571 5.259 8.916 673 H SER 96 H SER 96 7.774 -2.512 5.726 674 HA SER 96 HA SER 96 5.178 -3.824 5.598 675 HB2 SER 96 1HB SER 96 5.657 -3.200 3.451 676 HB3 SER 96 2HB SER 96 7.400 -3.311 3.695 677 HG SER 96 HG SER 96 7.322 -5.469 3.356 678 HA PRO 97 HA PRO 97 4.522 -5.637 4.208 679 HB2 PRO 97 1HB PRO 97 2.895 -7.558 5.225 680 HB3 PRO 97 2HB PRO 97 4.152 -7.898 4.031 681 HG2 PRO 97 1HG PRO 97 4.209 -8.273 7.000 682 HG3 PRO 97 2HG PRO 97 4.797 -9.355 5.725 683 HD2 PRO 97 1HD PRO 97 6.448 -7.747 7.146 684 HD3 PRO 97 2HD PRO 97 6.757 -8.173 5.451 685 H PHE 98 H PHE 98 2.728 -4.404 4.529 686 HA PHE 98 HA PHE 98 2.299 -3.375 7.204 687 HB2 PHE 98 1HB PHE 98 1.561 -2.546 4.449 688 HB3 PHE 98 2HB PHE 98 0.479 -2.046 5.745 689 HD1 PHE 98 2HD PHE 98 2.014 -1.270 7.930 690 HD2 PHE 98 1HD PHE 98 3.001 -0.896 3.806 691 HE1 PHE 98 2HE PHE 98 3.519 0.602 8.463 692 HE2 PHE 98 1HE PHE 98 4.509 0.976 4.333 693 HZ PHE 98 HZ PHE 98 4.768 1.728 6.664 694 H ARG 99 H ARG 99 1.070 -4.579 8.506 695 HA ARG 99 HA ARG 99 -1.063 -6.229 7.503 696 HB2 ARG 99 1HB ARG 99 -1.409 -6.824 9.868 697 HB3 ARG 99 2HB ARG 99 0.272 -6.999 9.385 698 HG2 ARG 99 1HG ARG 99 0.570 -4.632 10.353 699 HG3 ARG 99 2HG ARG 99 -0.973 -4.935 11.154 700 HD2 ARG 99 1HD ARG 99 -0.010 -7.003 12.121 701 HD3 ARG 99 2HD ARG 99 1.541 -6.583 11.395 702 HE ARG 99 HE ARG 99 0.478 -4.506 13.059 703 HH11 ARG 99 1HH1 ARG 99 2.297 -7.474 13.030 704 HH12 ARG 99 2HH1 ARG 99 3.136 -7.126 14.505 705 HH21 ARG 99 1HH2 ARG 99 1.577 -4.037 15.002 706 HH22 ARG 99 2HH2 ARG 99 2.725 -5.171 15.627 707 H ILE 100 H ILE 100 -2.716 -5.034 6.684 708 HA ILE 100 HA ILE 100 -3.963 -3.057 8.478 709 HB ILE 100 HB ILE 100 -4.382 -3.214 5.499 710 HG12 ILE 100 1HG1 ILE 100 -1.990 -2.810 5.997 711 HG13 ILE 100 2HG1 ILE 100 -2.761 -1.415 5.251 712 HG21 ILE 100 1HG2 ILE 100 -6.125 -2.009 6.517 713 HG22 ILE 100 2HG2 ILE 100 -5.024 -1.193 7.625 714 HG23 ILE 100 3HG2 ILE 100 -5.011 -0.784 5.910 715 HD11 ILE 100 1HD1 ILE 100 -1.191 -1.316 7.446 716 HD12 ILE 100 2HD1 ILE 100 -2.423 -0.120 7.043 717 HD13 ILE 100 3HD1 ILE 100 -2.791 -1.416 8.181 718 H HIS 101 H HIS 101 -6.005 -3.365 9.134 719 HA HIS 101 HA HIS 101 -7.398 -5.752 8.147 720 HB2 HIS 101 1HB HIS 101 -6.852 -5.231 10.669 721 HB3 HIS 101 2HB HIS 101 -8.293 -4.225 10.560 722 HD1 HIS 101 1HD HIS 101 -7.459 -7.366 11.737 723 HD2 HIS 101 2HD HIS 101 -10.428 -6.046 9.147 724 HE1 HIS 101 1HE HIS 101 -9.227 -9.154 11.773 725 HE2 HIS 101 2HE HIS 101 -10.973 -8.374 10.134 726 H ALA 102 H ALA 102 -9.291 -5.630 7.095 727 HA ALA 102 HA ALA 102 -10.444 -2.952 6.699 728 HB1 ALA 102 1HB ALA 102 -9.603 -4.104 4.680 729 HB2 ALA 102 2HB ALA 102 -10.775 -5.393 4.961 730 HB3 ALA 102 3HB ALA 102 -11.331 -3.757 4.607 731 H LEU 103 H LEU 103 -12.488 -2.527 7.294 732 HA LEU 103 HA LEU 103 -14.052 -4.745 8.432 733 HB2 LEU 103 1HB LEU 103 -14.455 -1.816 8.974 734 HB3 LEU 103 2HB LEU 103 -15.095 -3.186 9.879 735 HG LEU 103 HG LEU 103 -12.162 -2.511 9.744 736 HD11 LEU 103 1HD1 LEU 103 -13.571 -0.691 10.757 737 HD12 LEU 103 2HD1 LEU 103 -12.357 -1.394 11.825 738 HD13 LEU 103 3HD1 LEU 103 -14.050 -1.855 11.993 739 HD21 LEU 103 1HD2 LEU 103 -11.979 -4.524 10.676 740 HD22 LEU 103 2HD2 LEU 103 -13.727 -4.676 10.858 741 HD23 LEU 103 3HD2 LEU 103 -12.779 -3.849 12.096 742 HA PRO 104 HA PRO 104 -17.067 -4.262 5.259 743 HB2 PRO 104 1HB PRO 104 -19.206 -5.338 6.539 744 HB3 PRO 104 2HB PRO 104 -17.868 -6.312 5.919 745 HG2 PRO 104 1HG PRO 104 -18.383 -5.359 8.710 746 HG3 PRO 104 2HG PRO 104 -17.833 -6.951 8.155 747 HD2 PRO 104 1HD PRO 104 -16.140 -5.094 9.164 748 HD3 PRO 104 2HD PRO 104 -15.651 -6.250 7.908 749 H THR 105 H THR 105 -17.453 -2.098 4.977 750 HA THR 105 HA THR 105 -19.210 -0.736 6.892 751 HB THR 105 HB THR 105 -18.597 1.330 5.563 752 HG1 THR 105 1HG THR 105 -17.859 0.320 3.665 753 HG21 THR 105 1HG2 THR 105 -17.021 -0.189 7.440 754 HG22 THR 105 2HG2 THR 105 -17.241 1.557 7.319 755 HG23 THR 105 3HG2 THR 105 -15.979 0.760 6.380 756 H GLY 106 H GLY 106 -21.289 -0.417 6.440 757 HA2 GLY 106 1HA GLY 106 -22.363 0.388 4.010 758 HA3 GLY 106 2HA GLY 106 -22.458 -1.366 4.034 759 H ASP 107 H ASP 107 -23.455 1.571 5.707 760 HA ASP 107 HA ASP 107 -25.294 0.189 7.430 761 HB2 ASP 107 1HB ASP 107 -24.834 3.114 6.838 762 HB3 ASP 107 2HB ASP 107 -26.071 2.547 7.957 763 H ALA 108 H ALA 108 -25.536 2.150 4.494 764 HA ALA 108 HA ALA 108 -28.402 1.543 4.335 765 HB1 ALA 108 1HB ALA 108 -28.179 3.208 2.338 766 HB2 ALA 108 2HB ALA 108 -28.190 3.810 3.996 767 HB3 ALA 108 3HB ALA 108 -26.664 3.647 3.127 768 H SER 109 H SER 109 -25.609 1.687 2.113 769 HA SER 109 HA SER 109 -26.688 -0.696 0.760 770 HB2 SER 109 1HB SER 109 -25.433 1.717 -0.572 771 HB3 SER 109 2HB SER 109 -25.930 0.239 -1.396 772 HG SER 109 HG SER 109 -27.405 2.316 -1.001 773 H SER 110 H SER 110 -25.106 -2.010 -0.330 774 HA SER 110 HA SER 110 -22.466 -1.828 0.950 775 HB2 SER 110 1HB SER 110 -23.867 -3.887 1.343 776 HB3 SER 110 2HB SER 110 -23.698 -4.253 -0.373 777 HG SER 110 HG SER 110 -21.307 -3.959 0.199 778 H GLY 111 H GLY 111 -20.766 -1.300 -0.249 779 HA2 GLY 111 1HA GLY 111 -19.361 -1.645 -2.162 780 HA3 GLY 111 2HA GLY 111 -20.805 -1.935 -3.122 781 HA PRO 112 HA PRO 112 -19.345 2.661 -3.043 782 HB2 PRO 112 1HB PRO 112 -17.521 2.688 -5.054 783 HB3 PRO 112 2HB PRO 112 -17.080 2.437 -3.361 784 HG2 PRO 112 1HG PRO 112 -17.453 0.419 -5.540 785 HG3 PRO 112 2HG PRO 112 -16.186 0.508 -4.302 786 HD2 PRO 112 1HD PRO 112 -18.308 -1.162 -4.097 787 HD3 PRO 112 2HD PRO 112 -17.529 -0.428 -2.680 788 H SER 113 H SER 113 -20.429 4.059 -4.329 789 HA SER 113 HA SER 113 -21.516 3.002 -6.857 790 HB2 SER 113 1HB SER 113 -23.212 3.367 -5.060 791 HB3 SER 113 2HB SER 113 -22.785 5.078 -5.056 792 HG SER 113 HG SER 113 -23.261 4.792 -7.473 793 H SER 114 H SER 114 -21.556 4.332 -8.655 794 HA SER 114 HA SER 114 -19.471 5.997 -9.171 795 HB2 SER 114 1HB SER 114 -22.260 6.165 -10.336 796 HB3 SER 114 2HB SER 114 -20.840 6.952 -11.024 797 HG SER 114 HG SER 114 -21.364 4.868 -11.951 798 H GLY 115 H GLY 115 -22.690 7.004 -8.040 799 HA2 GLY 115 1HA GLY 115 -21.913 9.771 -7.850 800 HA3 GLY 115 2HA GLY 115 -23.433 9.073 -7.310 Start of MODEL 9 1 H1 GLY 1 H GLY 1 13.480 -1.122 -19.530 2 HA2 GLY 1 1HA GLY 1 13.403 1.690 -19.491 3 HA3 GLY 1 2HA GLY 1 12.813 1.095 -17.947 4 H SER 2 H SER 2 15.557 1.716 -19.887 5 HA SER 2 HA SER 2 17.393 0.135 -18.324 6 HB2 SER 2 1HB SER 2 17.683 0.737 -20.784 7 HB3 SER 2 2HB SER 2 18.113 2.358 -20.238 8 HG SER 2 HG SER 2 19.847 1.472 -19.107 9 H SER 3 H SER 3 17.407 0.784 -16.223 10 HA SER 3 HA SER 3 18.064 3.608 -15.695 11 HB2 SER 3 1HB SER 3 16.703 1.577 -13.909 12 HB3 SER 3 2HB SER 3 17.153 3.208 -13.411 13 HG SER 3 HG SER 3 15.137 2.362 -15.152 14 H GLY 4 H GLY 4 19.846 4.115 -14.510 15 HA2 GLY 4 1HA GLY 4 22.103 2.631 -14.503 16 HA3 GLY 4 2HA GLY 4 21.761 3.810 -13.246 17 H SER 5 H SER 5 23.305 1.497 -12.842 18 HA SER 5 HA SER 5 21.543 -0.070 -11.073 19 HB2 SER 5 1HB SER 5 22.634 -1.262 -13.076 20 HB3 SER 5 2HB SER 5 24.149 -1.091 -12.191 21 HG SER 5 HG SER 5 22.891 -2.117 -10.397 22 H SER 6 H SER 6 21.820 0.790 -9.103 23 HA SER 6 HA SER 6 24.304 0.459 -7.755 24 HB2 SER 6 1HB SER 6 24.641 2.615 -9.077 25 HB3 SER 6 2HB SER 6 23.414 3.331 -8.032 26 HG SER 6 HG SER 6 24.852 2.466 -6.269 27 H GLY 7 H GLY 7 23.881 0.063 -5.677 28 HA2 GLY 7 1HA GLY 7 21.189 0.311 -4.704 29 HA3 GLY 7 2HA GLY 7 22.563 -0.337 -3.820 30 H ALA 8 H ALA 8 21.470 2.802 -5.117 31 HA ALA 8 HA ALA 8 22.505 4.069 -2.673 32 HB1 ALA 8 1HB ALA 8 22.828 4.745 -5.361 33 HB2 ALA 8 2HB ALA 8 21.707 5.941 -4.711 34 HB3 ALA 8 3HB ALA 8 23.283 5.708 -3.954 35 H HIS 9 H HIS 9 20.092 2.714 -2.456 36 HA HIS 9 HA HIS 9 18.243 4.955 -2.017 37 HB2 HIS 9 1HB HIS 9 16.351 3.481 -2.663 38 HB3 HIS 9 2HB HIS 9 17.443 3.815 -4.003 39 HD1 HIS 9 1HD HIS 9 18.628 1.843 -5.070 40 HD2 HIS 9 2HD HIS 9 16.477 0.811 -1.669 41 HE1 HIS 9 1HE HIS 9 18.608 -0.671 -5.025 42 HE2 HIS 9 2HE HIS 9 17.228 -1.273 -3.005 43 H ASP 10 H ASP 10 17.108 4.902 -0.127 44 HA ASP 10 HA ASP 10 17.560 2.577 1.626 45 HB2 ASP 10 1HB ASP 10 18.759 4.891 2.099 46 HB3 ASP 10 2HB ASP 10 17.194 5.300 2.796 47 H ALA 11 H ALA 11 15.645 1.556 1.607 48 HA ALA 11 HA ALA 11 13.134 2.803 1.312 49 HB1 ALA 11 1HB ALA 11 13.012 0.268 2.718 50 HB2 ALA 11 2HB ALA 11 12.391 0.711 1.127 51 HB3 ALA 11 3HB ALA 11 14.070 0.204 1.308 52 H SER 12 H SER 12 15.192 2.410 4.026 53 HA SER 12 HA SER 12 13.255 2.432 6.089 54 HB2 SER 12 1HB SER 12 15.074 2.857 7.584 55 HB3 SER 12 2HB SER 12 15.695 1.794 6.321 56 HG SER 12 HG SER 12 17.108 3.548 6.766 57 H LYS 13 H LYS 13 14.633 4.908 4.096 58 HA LYS 13 HA LYS 13 13.779 7.079 5.805 59 HB2 LYS 13 1HB LYS 13 14.890 7.071 2.993 60 HB3 LYS 13 2HB LYS 13 14.561 8.519 3.935 61 HG2 LYS 13 1HG LYS 13 16.463 6.364 4.819 62 HG3 LYS 13 2HG LYS 13 16.952 7.786 3.894 63 HD2 LYS 13 1HD LYS 13 16.441 9.245 5.643 64 HD3 LYS 13 2HD LYS 13 15.416 8.060 6.456 65 HE2 LYS 13 1HE LYS 13 18.322 7.485 6.082 66 HE3 LYS 13 2HE LYS 13 17.815 8.589 7.360 67 HZ1 LYS 13 1HZ LYS 13 17.658 5.746 7.266 68 HZ2 LYS 13 2HZ LYS 13 16.145 6.429 7.588 69 HZ3 LYS 13 3HZ LYS 13 17.464 6.788 8.585 70 H VAL 14 H VAL 14 11.877 5.067 4.534 71 HA VAL 14 HA VAL 14 10.179 6.931 3.024 72 HB VAL 14 HB VAL 14 9.959 3.927 3.270 73 HG11 VAL 14 1HG1 VAL 14 8.541 4.800 1.045 74 HG12 VAL 14 2HG1 VAL 14 7.866 4.224 2.570 75 HG13 VAL 14 3HG1 VAL 14 8.128 5.950 2.316 76 HG21 VAL 14 1HG2 VAL 14 11.935 4.697 2.001 77 HG22 VAL 14 2HG2 VAL 14 10.769 3.836 0.996 78 HG23 VAL 14 3HG2 VAL 14 10.864 5.596 0.926 79 H ARG 15 H ARG 15 8.272 7.616 3.805 80 HA ARG 15 HA ARG 15 7.390 6.509 6.389 81 HB2 ARG 15 1HB ARG 15 7.531 9.287 5.333 82 HB3 ARG 15 2HB ARG 15 6.178 8.888 6.383 83 HG2 ARG 15 1HG ARG 15 7.903 9.803 7.735 84 HG3 ARG 15 2HG ARG 15 7.825 8.072 8.070 85 HD2 ARG 15 1HD ARG 15 10.086 8.337 7.843 86 HD3 ARG 15 2HD ARG 15 9.648 7.962 6.176 87 HE ARG 15 HE ARG 15 9.504 10.662 6.263 88 HH11 ARG 15 1HH1 ARG 15 11.958 8.364 7.166 89 HH12 ARG 15 2HH1 ARG 15 13.274 9.439 6.825 90 HH21 ARG 15 1HH2 ARG 15 11.227 12.086 5.810 91 HH22 ARG 15 2HH2 ARG 15 12.857 11.555 6.054 92 H ALA 16 H ALA 16 5.559 5.402 6.321 93 HA ALA 16 HA ALA 16 3.718 5.833 4.077 94 HB1 ALA 16 1HB ALA 16 2.865 3.599 5.516 95 HB2 ALA 16 2HB ALA 16 3.742 3.613 3.985 96 HB3 ALA 16 3HB ALA 16 4.626 3.503 5.507 97 H SER 17 H SER 17 1.979 7.032 4.430 98 HA SER 17 HA SER 17 0.527 6.772 6.946 99 HB2 SER 17 1HB SER 17 1.562 9.405 5.875 100 HB3 SER 17 2HB SER 17 0.330 9.270 7.129 101 HG SER 17 HG SER 17 1.893 9.021 8.492 102 H GLY 18 H GLY 18 -1.619 7.877 6.841 103 HA2 GLY 18 1HA GLY 18 -3.202 8.987 5.252 104 HA3 GLY 18 2HA GLY 18 -2.638 7.819 4.067 105 HA PRO 19 HA PRO 19 -6.479 6.248 6.263 106 HB2 PRO 19 1HB PRO 19 -8.011 6.006 4.035 107 HB3 PRO 19 2HB PRO 19 -7.934 7.491 4.991 108 HG2 PRO 19 1HG PRO 19 -6.510 6.799 2.450 109 HG3 PRO 19 2HG PRO 19 -7.303 8.316 2.910 110 HD2 PRO 19 1HD PRO 19 -4.620 7.976 3.045 111 HD3 PRO 19 2HD PRO 19 -5.509 9.018 4.175 112 H GLY 20 H GLY 20 -5.186 5.343 3.066 113 HA2 GLY 20 1HA GLY 20 -6.056 2.692 3.031 114 HA3 GLY 20 2HA GLY 20 -4.646 3.299 2.176 115 H LEU 21 H LEU 21 -3.458 4.154 4.804 116 HA LEU 21 HA LEU 21 -2.468 1.496 5.581 117 HB2 LEU 21 1HB LEU 21 -1.154 4.177 5.985 118 HB3 LEU 21 2HB LEU 21 -0.446 2.597 6.314 119 HG LEU 21 HG LEU 21 -1.207 3.589 3.568 120 HD11 LEU 21 1HD1 LEU 21 0.712 4.691 3.468 121 HD12 LEU 21 2HD1 LEU 21 1.601 3.249 3.959 122 HD13 LEU 21 3HD1 LEU 21 0.972 4.354 5.180 123 HD21 LEU 21 1HD2 LEU 21 0.750 1.424 3.952 124 HD22 LEU 21 2HD2 LEU 21 -0.525 1.606 2.747 125 HD23 LEU 21 3HD2 LEU 21 -0.918 1.026 4.366 126 H ASN 22 H ASN 22 -4.899 2.501 6.649 127 HA ASN 22 HA ASN 22 -4.388 3.591 9.260 128 HB2 ASN 22 1HB ASN 22 -6.490 3.966 7.871 129 HB3 ASN 22 2HB ASN 22 -6.960 2.328 8.313 130 HD21 ASN 22 1HD2 ASN 22 -8.345 2.278 9.912 131 HD22 ASN 22 2HD2 ASN 22 -8.400 3.365 11.254 132 H ALA 23 H ALA 23 -3.718 2.460 10.949 133 HA ALA 23 HA ALA 23 -3.690 -0.413 10.916 134 HB1 ALA 23 1HB ALA 23 -3.054 1.074 13.402 135 HB2 ALA 23 2HB ALA 23 -2.218 -0.283 12.645 136 HB3 ALA 23 3HB ALA 23 -2.021 1.345 11.998 137 H SER 24 H SER 24 -5.695 2.069 12.287 138 HA SER 24 HA SER 24 -6.934 0.479 14.293 139 HB2 SER 24 1HB SER 24 -7.594 3.096 12.975 140 HB3 SER 24 2HB SER 24 -8.763 2.322 14.045 141 HG SER 24 HG SER 24 -6.671 2.196 15.444 142 H GLY 25 H GLY 25 -7.364 0.804 10.881 143 HA2 GLY 25 1HA GLY 25 -8.548 -1.201 9.934 144 HA3 GLY 25 2HA GLY 25 -9.843 -0.795 11.050 145 H ILE 26 H ILE 26 -9.447 -0.880 7.982 146 HA ILE 26 HA ILE 26 -10.552 1.798 7.441 147 HB ILE 26 HB ILE 26 -9.850 1.473 5.096 148 HG12 ILE 26 1HG1 ILE 26 -8.135 -0.827 5.953 149 HG13 ILE 26 2HG1 ILE 26 -9.808 -1.128 5.494 150 HG21 ILE 26 1HG2 ILE 26 -8.418 2.531 6.947 151 HG22 ILE 26 2HG2 ILE 26 -7.450 1.062 6.842 152 HG23 ILE 26 3HG2 ILE 26 -7.630 2.101 5.429 153 HD11 ILE 26 1HD1 ILE 26 -9.321 -0.981 3.339 154 HD12 ILE 26 2HD1 ILE 26 -8.460 0.542 3.563 155 HD13 ILE 26 3HD1 ILE 26 -7.622 -0.990 3.810 156 HA PRO 27 HA PRO 27 -14.381 -0.093 6.373 157 HB2 PRO 27 1HB PRO 27 -15.380 1.843 4.753 158 HB3 PRO 27 2HB PRO 27 -15.287 2.014 6.510 159 HG2 PRO 27 1HG PRO 27 -13.448 3.083 4.403 160 HG3 PRO 27 2HG PRO 27 -14.072 3.886 5.856 161 HD2 PRO 27 1HD PRO 27 -11.582 2.831 5.731 162 HD3 PRO 27 2HD PRO 27 -12.527 2.872 7.233 163 H ALA 28 H ALA 28 -14.213 -1.854 5.097 164 HA ALA 28 HA ALA 28 -12.966 -1.956 2.583 165 HB1 ALA 28 1HB ALA 28 -14.794 -4.025 2.556 166 HB2 ALA 28 2HB ALA 28 -13.146 -4.095 3.181 167 HB3 ALA 28 3HB ALA 28 -14.490 -3.758 4.273 168 H SER 29 H SER 29 -14.205 -2.743 0.575 169 HA SER 29 HA SER 29 -15.598 -2.234 -1.150 170 HB2 SER 29 1HB SER 29 -17.433 -1.969 1.213 171 HB3 SER 29 2HB SER 29 -18.006 -1.559 -0.404 172 HG SER 29 HG SER 29 -17.284 -3.704 -1.027 173 H LEU 30 H LEU 30 -13.834 -0.225 -0.305 174 HA LEU 30 HA LEU 30 -15.147 2.083 -1.436 175 HB2 LEU 30 1HB LEU 30 -15.715 2.352 0.904 176 HB3 LEU 30 2HB LEU 30 -14.025 2.156 1.361 177 HG LEU 30 HG LEU 30 -13.749 4.281 -0.209 178 HD11 LEU 30 1HD1 LEU 30 -16.365 5.002 0.991 179 HD12 LEU 30 2HD1 LEU 30 -16.372 4.068 -0.504 180 HD13 LEU 30 3HD1 LEU 30 -15.562 5.634 -0.447 181 HD21 LEU 30 1HD2 LEU 30 -14.830 4.555 2.588 182 HD22 LEU 30 2HD2 LEU 30 -13.700 5.621 1.752 183 HD23 LEU 30 3HD2 LEU 30 -13.195 3.999 2.227 184 HA PRO 31 HA PRO 31 -11.092 2.527 -3.111 185 HB2 PRO 31 1HB PRO 31 -11.332 5.060 -4.059 186 HB3 PRO 31 2HB PRO 31 -12.100 3.668 -4.832 187 HG2 PRO 31 1HG PRO 31 -13.283 5.693 -2.972 188 HG3 PRO 31 2HG PRO 31 -13.966 5.003 -4.456 189 HD2 PRO 31 1HD PRO 31 -14.684 4.151 -1.988 190 HD3 PRO 31 2HD PRO 31 -14.641 3.071 -3.397 191 H VAL 32 H VAL 32 -9.562 2.600 -1.539 192 HA VAL 32 HA VAL 32 -9.218 5.145 -0.090 193 HB VAL 32 HB VAL 32 -9.703 3.086 1.296 194 HG11 VAL 32 1HG1 VAL 32 -6.864 2.277 0.961 195 HG12 VAL 32 2HG1 VAL 32 -8.272 1.313 1.414 196 HG13 VAL 32 3HG1 VAL 32 -8.019 1.770 -0.271 197 HG21 VAL 32 1HG2 VAL 32 -8.370 3.824 3.041 198 HG22 VAL 32 2HG2 VAL 32 -7.002 4.175 1.986 199 HG23 VAL 32 3HG2 VAL 32 -8.414 5.232 1.979 200 H GLU 33 H GLU 33 -7.222 6.112 -0.037 201 HA GLU 33 HA GLU 33 -5.008 4.800 -1.435 202 HB2 GLU 33 1HB GLU 33 -4.529 6.954 -2.632 203 HB3 GLU 33 2HB GLU 33 -5.981 6.121 -3.169 204 HG2 GLU 33 1HG GLU 33 -7.377 7.721 -2.349 205 HG3 GLU 33 2HG GLU 33 -6.268 8.187 -1.061 206 H PHE 34 H PHE 34 -3.034 5.214 -0.587 207 HA PHE 34 HA PHE 34 -2.954 7.022 1.729 208 HB2 PHE 34 1HB PHE 34 -0.822 5.663 2.250 209 HB3 PHE 34 2HB PHE 34 -2.381 4.880 2.488 210 HD1 PHE 34 1HD PHE 34 -3.248 3.378 0.621 211 HD2 PHE 34 2HD PHE 34 0.788 4.707 0.874 212 HE1 PHE 34 1HE PHE 34 -2.553 1.541 -0.863 213 HE2 PHE 34 2HE PHE 34 1.489 2.873 -0.610 214 HZ PHE 34 HZ PHE 34 -0.183 1.288 -1.481 215 H THR 35 H THR 35 -0.378 7.527 2.094 216 HA THR 35 HA THR 35 0.720 8.534 -0.430 217 HB THR 35 HB THR 35 0.343 10.248 2.034 218 HG1 THR 35 1HG THR 35 -0.842 11.460 0.193 219 HG21 THR 35 1HG2 THR 35 2.452 10.516 0.527 220 HG22 THR 35 2HG2 THR 35 1.524 11.944 0.984 221 HG23 THR 35 3HG2 THR 35 1.320 11.235 -0.617 222 H ILE 36 H ILE 36 2.796 8.022 -0.597 223 HA ILE 36 HA ILE 36 4.262 7.257 1.821 224 HB ILE 36 HB ILE 36 4.982 6.803 -1.077 225 HG12 ILE 36 1HG1 ILE 36 3.009 5.522 -0.444 226 HG13 ILE 36 2HG1 ILE 36 4.392 4.446 -0.607 227 HG21 ILE 36 1HG2 ILE 36 6.515 6.607 1.333 228 HG22 ILE 36 2HG2 ILE 36 6.321 5.007 0.619 229 HG23 ILE 36 3HG2 ILE 36 7.016 6.319 -0.332 230 HD11 ILE 36 1HD1 ILE 36 2.827 5.179 1.783 231 HD12 ILE 36 2HD1 ILE 36 3.578 3.647 1.336 232 HD13 ILE 36 3HD1 ILE 36 4.562 4.949 2.003 233 H ASP 37 H ASP 37 4.962 9.181 2.671 234 HA ASP 37 HA ASP 37 6.231 11.180 1.029 235 HB2 ASP 37 1HB ASP 37 4.882 11.422 3.298 236 HB3 ASP 37 2HB ASP 37 6.480 11.191 4.005 237 H ALA 38 H ALA 38 8.047 10.285 0.107 238 HA ALA 38 HA ALA 38 10.226 9.643 1.982 239 HB1 ALA 38 1HB ALA 38 10.378 7.595 1.148 240 HB2 ALA 38 2HB ALA 38 9.061 7.927 0.023 241 HB3 ALA 38 3HB ALA 38 10.726 8.282 -0.439 242 H ARG 39 H ARG 39 11.784 11.103 1.819 243 HA ARG 39 HA ARG 39 12.074 12.639 -0.648 244 HB2 ARG 39 1HB ARG 39 13.382 13.036 2.049 245 HB3 ARG 39 2HB ARG 39 13.489 14.134 0.680 246 HG2 ARG 39 1HG ARG 39 11.836 15.182 1.800 247 HG3 ARG 39 2HG ARG 39 10.835 14.027 0.917 248 HD2 ARG 39 1HD ARG 39 10.095 13.901 3.142 249 HD3 ARG 39 2HD ARG 39 11.124 12.487 2.920 250 HE ARG 39 HE ARG 39 12.559 13.335 4.484 251 HH11 ARG 39 1HH1 ARG 39 10.447 15.876 3.388 252 HH12 ARG 39 2HH1 ARG 39 10.997 17.020 4.567 253 HH21 ARG 39 1HH2 ARG 39 13.292 14.832 6.040 254 HH22 ARG 39 2HH2 ARG 39 12.616 16.426 6.075 255 H ASP 40 H ASP 40 14.236 11.021 1.686 256 HA ASP 40 HA ASP 40 16.220 10.710 -0.450 257 HB2 ASP 40 1HB ASP 40 16.399 10.547 2.555 258 HB3 ASP 40 2HB ASP 40 17.701 9.986 1.510 259 H ALA 41 H ALA 41 13.801 9.083 -0.302 260 HA ALA 41 HA ALA 41 14.350 6.522 0.747 261 HB1 ALA 41 1HB ALA 41 12.442 7.480 -1.369 262 HB2 ALA 41 2HB ALA 41 12.534 5.792 -0.863 263 HB3 ALA 41 3HB ALA 41 12.094 7.039 0.303 264 H GLY 42 H GLY 42 15.609 8.149 -1.952 265 HA2 GLY 42 1HA GLY 42 17.594 7.020 -2.924 266 HA3 GLY 42 2HA GLY 42 16.583 5.589 -3.065 267 H GLU 43 H GLU 43 17.863 6.420 -5.279 268 HA GLU 43 HA GLU 43 15.974 8.024 -6.833 269 HB2 GLU 43 1HB GLU 43 18.532 8.367 -6.846 270 HB3 GLU 43 2HB GLU 43 18.581 6.926 -7.852 271 HG2 GLU 43 1HG GLU 43 17.308 7.971 -9.560 272 HG3 GLU 43 2HG GLU 43 16.935 9.347 -8.524 273 H GLY 44 H GLY 44 14.553 5.984 -6.433 274 HA2 GLY 44 1HA GLY 44 14.812 4.322 -8.848 275 HA3 GLY 44 2HA GLY 44 14.540 3.553 -7.292 276 H LEU 45 H LEU 45 12.610 2.658 -8.248 277 HA LEU 45 HA LEU 45 10.402 4.604 -8.383 278 HB2 LEU 45 1HB LEU 45 9.311 3.276 -9.982 279 HB3 LEU 45 2HB LEU 45 10.992 3.367 -10.503 280 HG LEU 45 HG LEU 45 11.117 1.068 -9.162 281 HD11 LEU 45 1HD1 LEU 45 9.131 -0.236 -9.377 282 HD12 LEU 45 2HD1 LEU 45 8.298 1.069 -10.222 283 HD13 LEU 45 3HD1 LEU 45 8.712 1.246 -8.517 284 HD21 LEU 45 1HD2 LEU 45 10.403 1.726 -11.972 285 HD22 LEU 45 2HD2 LEU 45 10.338 0.037 -11.467 286 HD23 LEU 45 3HD2 LEU 45 11.845 0.944 -11.322 287 H LEU 46 H LEU 46 8.717 4.337 -7.040 288 HA LEU 46 HA LEU 46 8.903 2.363 -4.964 289 HB2 LEU 46 1HB LEU 46 8.136 4.458 -4.260 290 HB3 LEU 46 2HB LEU 46 6.990 4.583 -5.593 291 HG LEU 46 HG LEU 46 5.817 2.575 -4.427 292 HD11 LEU 46 1HD1 LEU 46 6.990 1.852 -2.654 293 HD12 LEU 46 2HD1 LEU 46 6.218 3.204 -1.827 294 HD13 LEU 46 3HD1 LEU 46 7.852 3.380 -2.467 295 HD21 LEU 46 1HD2 LEU 46 4.316 4.166 -4.073 296 HD22 LEU 46 2HD2 LEU 46 5.569 5.392 -4.264 297 HD23 LEU 46 3HD2 LEU 46 5.222 4.727 -2.667 298 H THR 47 H THR 47 7.581 0.624 -4.582 299 HA THR 47 HA THR 47 5.591 -0.030 -6.650 300 HB THR 47 HB THR 47 6.278 -2.412 -6.505 301 HG1 THR 47 1HG THR 47 8.173 -2.942 -5.440 302 HG21 THR 47 1HG2 THR 47 8.432 -2.143 -7.765 303 HG22 THR 47 2HG2 THR 47 8.364 -0.421 -7.388 304 HG23 THR 47 3HG2 THR 47 7.099 -1.160 -8.370 305 H VAL 48 H VAL 48 3.711 -0.893 -5.931 306 HA VAL 48 HA VAL 48 3.535 -1.631 -3.087 307 HB VAL 48 HB VAL 48 1.507 0.016 -4.606 308 HG11 VAL 48 1HG1 VAL 48 1.332 -0.361 -1.677 309 HG12 VAL 48 2HG1 VAL 48 0.051 -0.201 -2.881 310 HG13 VAL 48 3HG1 VAL 48 0.893 -1.739 -2.686 311 HG21 VAL 48 1HG2 VAL 48 3.503 0.713 -2.469 312 HG22 VAL 48 2HG2 VAL 48 3.306 1.443 -4.062 313 HG23 VAL 48 3HG2 VAL 48 2.092 1.713 -2.813 314 H GLN 49 H GLN 49 2.403 -3.440 -2.646 315 HA GLN 49 HA GLN 49 0.723 -4.598 -4.754 316 HB2 GLN 49 1HB GLN 49 2.858 -5.716 -4.961 317 HB3 GLN 49 2HB GLN 49 2.899 -6.039 -3.232 318 HG2 GLN 49 1HG GLN 49 2.282 -8.063 -4.225 319 HG3 GLN 49 2HG GLN 49 0.786 -7.391 -3.579 320 HE21 GLN 49 1HE2 GLN 49 2.718 -7.357 -6.555 321 HE22 GLN 49 2HE2 GLN 49 1.372 -7.458 -7.633 322 H ILE 50 H ILE 50 -1.104 -5.578 -4.050 323 HA ILE 50 HA ILE 50 -1.447 -5.860 -1.136 324 HB ILE 50 HB ILE 50 -3.663 -5.077 -3.023 325 HG12 ILE 50 1HG1 ILE 50 -2.075 -3.245 -1.214 326 HG13 ILE 50 2HG1 ILE 50 -1.855 -3.350 -2.957 327 HG21 ILE 50 1HG2 ILE 50 -4.898 -5.603 -1.247 328 HG22 ILE 50 2HG2 ILE 50 -3.478 -5.763 -0.215 329 HG23 ILE 50 3HG2 ILE 50 -4.213 -4.180 -0.463 330 HD11 ILE 50 1HD1 ILE 50 -4.570 -2.922 -2.643 331 HD12 ILE 50 2HD1 ILE 50 -3.816 -1.891 -1.426 332 HD13 ILE 50 3HD1 ILE 50 -3.358 -1.734 -3.122 333 H LEU 51 H LEU 51 -2.134 -7.788 -0.455 334 HA LEU 51 HA LEU 51 -3.154 -9.679 -2.471 335 HB2 LEU 51 1HB LEU 51 -1.605 -10.200 0.061 336 HB3 LEU 51 2HB LEU 51 -2.298 -11.457 -0.962 337 HG LEU 51 HG LEU 51 0.037 -9.657 -1.509 338 HD11 LEU 51 1HD1 LEU 51 0.816 -11.613 -0.590 339 HD12 LEU 51 2HD1 LEU 51 0.849 -12.006 -2.308 340 HD13 LEU 51 3HD1 LEU 51 -0.473 -12.587 -1.296 341 HD21 LEU 51 1HD2 LEU 51 0.028 -10.465 -3.825 342 HD22 LEU 51 2HD2 LEU 51 -1.390 -9.479 -3.467 343 HD23 LEU 51 3HD2 LEU 51 -1.533 -11.236 -3.544 344 H ASP 52 H ASP 52 -5.278 -9.921 -2.297 345 HA ASP 52 HA ASP 52 -6.958 -9.138 -0.306 346 HB2 ASP 52 1HB ASP 52 -8.319 -11.303 -1.138 347 HB3 ASP 52 2HB ASP 52 -8.187 -9.829 -2.093 348 HA PRO 53 HA PRO 53 -6.604 -11.765 3.186 349 HB2 PRO 53 1HB PRO 53 -9.189 -12.193 3.897 350 HB3 PRO 53 2HB PRO 53 -8.378 -10.637 4.113 351 HG2 PRO 53 1HG PRO 53 -10.241 -11.517 1.941 352 HG3 PRO 53 2HG PRO 53 -10.188 -9.974 2.813 353 HD2 PRO 53 1HD PRO 53 -9.145 -10.281 0.334 354 HD3 PRO 53 2HD PRO 53 -8.457 -9.161 1.527 355 H GLU 54 H GLU 54 -7.527 -12.959 0.303 356 HA GLU 54 HA GLU 54 -8.201 -15.628 1.330 357 HB2 GLU 54 1HB GLU 54 -8.553 -14.371 -1.390 358 HB3 GLU 54 2HB GLU 54 -8.790 -16.088 -1.093 359 HG2 GLU 54 1HG GLU 54 -10.395 -15.190 0.793 360 HG3 GLU 54 2HG GLU 54 -10.439 -13.769 -0.250 361 H GLY 55 H GLY 55 -5.824 -13.815 -0.458 362 HA2 GLY 55 1HA GLY 55 -3.530 -14.663 -0.346 363 HA3 GLY 55 2HA GLY 55 -4.186 -16.268 -0.635 364 H LYS 56 H LYS 56 -5.104 -13.301 -2.308 365 HA LYS 56 HA LYS 56 -3.767 -14.293 -4.730 366 HB2 LYS 56 1HB LYS 56 -6.523 -13.073 -4.779 367 HB3 LYS 56 2HB LYS 56 -5.681 -13.899 -6.084 368 HG2 LYS 56 1HG LYS 56 -6.430 -15.312 -3.547 369 HG3 LYS 56 2HG LYS 56 -7.554 -15.153 -4.899 370 HD2 LYS 56 1HD LYS 56 -5.978 -16.281 -6.368 371 HD3 LYS 56 2HD LYS 56 -4.804 -16.388 -5.054 372 HE2 LYS 56 1HE LYS 56 -6.126 -17.924 -3.860 373 HE3 LYS 56 2HE LYS 56 -7.555 -17.575 -4.832 374 HZ1 LYS 56 1HZ LYS 56 -5.219 -19.228 -5.491 375 HZ2 LYS 56 2HZ LYS 56 -6.059 -18.466 -6.745 376 HZ3 LYS 56 3HZ LYS 56 -6.863 -19.549 -5.726 377 HA PRO 57 HA PRO 57 -2.296 -10.178 -5.191 378 HB2 PRO 57 1HB PRO 57 -2.004 -10.060 -7.887 379 HB3 PRO 57 2HB PRO 57 -0.925 -10.994 -6.844 380 HG2 PRO 57 1HG PRO 57 -3.245 -11.927 -8.489 381 HG3 PRO 57 2HG PRO 57 -1.649 -12.671 -8.284 382 HD2 PRO 57 1HD PRO 57 -3.842 -13.539 -6.955 383 HD3 PRO 57 2HD PRO 57 -2.211 -13.617 -6.258 384 H LYS 58 H LYS 58 -3.197 -8.210 -5.284 385 HA LYS 58 HA LYS 58 -5.791 -7.946 -6.641 386 HB2 LYS 58 1HB LYS 58 -4.560 -6.335 -4.400 387 HB3 LYS 58 2HB LYS 58 -6.099 -5.955 -5.163 388 HG2 LYS 58 1HG LYS 58 -5.620 -8.640 -3.931 389 HG3 LYS 58 2HG LYS 58 -6.100 -7.255 -2.946 390 HD2 LYS 58 1HD LYS 58 -7.621 -8.134 -5.392 391 HD3 LYS 58 2HD LYS 58 -7.977 -8.737 -3.771 392 HE2 LYS 58 1HE LYS 58 -7.795 -5.798 -4.135 393 HE3 LYS 58 2HE LYS 58 -9.203 -6.615 -4.812 394 HZ1 LYS 58 1HZ LYS 58 -8.618 -5.994 -2.100 395 HZ2 LYS 58 2HZ LYS 58 -8.909 -7.650 -2.285 396 HZ3 LYS 58 3HZ LYS 58 -10.070 -6.527 -2.787 397 H LYS 59 H LYS 59 -6.158 -5.428 -7.137 398 HA LYS 59 HA LYS 59 -3.924 -4.664 -8.892 399 HB2 LYS 59 1HB LYS 59 -6.137 -5.187 -9.952 400 HB3 LYS 59 2HB LYS 59 -6.815 -3.808 -9.096 401 HG2 LYS 59 1HG LYS 59 -5.609 -2.273 -10.357 402 HG3 LYS 59 2HG LYS 59 -4.438 -3.484 -10.886 403 HD2 LYS 59 1HD LYS 59 -7.311 -3.791 -11.642 404 HD3 LYS 59 2HD LYS 59 -6.304 -2.636 -12.518 405 HE2 LYS 59 1HE LYS 59 -5.936 -4.485 -13.797 406 HE3 LYS 59 2HE LYS 59 -4.655 -4.707 -12.607 407 HZ1 LYS 59 1HZ LYS 59 -5.793 -6.387 -11.561 408 HZ2 LYS 59 2HZ LYS 59 -6.236 -6.657 -13.171 409 HZ3 LYS 59 3HZ LYS 59 -7.308 -5.879 -12.118 410 H ALA 60 H ALA 60 -2.766 -2.958 -8.313 411 HA ALA 60 HA ALA 60 -4.069 -0.831 -6.745 412 HB1 ALA 60 1HB ALA 60 -1.384 -2.104 -6.300 413 HB2 ALA 60 2HB ALA 60 -1.798 -0.518 -5.648 414 HB3 ALA 60 3HB ALA 60 -2.724 -1.939 -5.165 415 H ASN 61 H ASN 61 -3.146 1.291 -6.991 416 HA ASN 61 HA ASN 61 -1.687 1.623 -9.531 417 HB2 ASN 61 1HB ASN 61 -3.620 3.634 -8.379 418 HB3 ASN 61 2HB ASN 61 -2.940 3.593 -10.003 419 HD21 ASN 61 1HD2 ASN 61 -5.095 1.918 -7.786 420 HD22 ASN 61 2HD2 ASN 61 -6.089 1.201 -9.004 421 H ILE 62 H ILE 62 -0.019 3.084 -9.605 422 HA ILE 62 HA ILE 62 0.677 4.423 -7.074 423 HB ILE 62 HB ILE 62 2.614 3.111 -8.986 424 HG12 ILE 62 1HG1 ILE 62 2.277 2.294 -6.132 425 HG13 ILE 62 2HG1 ILE 62 1.095 1.735 -7.310 426 HG21 ILE 62 1HG2 ILE 62 3.109 4.488 -6.349 427 HG22 ILE 62 2HG2 ILE 62 4.321 3.688 -7.348 428 HG23 ILE 62 3HG2 ILE 62 3.508 5.137 -7.940 429 HD11 ILE 62 1HD1 ILE 62 3.123 0.936 -8.658 430 HD12 ILE 62 2HD1 ILE 62 4.019 1.139 -7.152 431 HD13 ILE 62 3HD1 ILE 62 2.655 0.024 -7.223 432 H ARG 63 H ARG 63 1.351 6.500 -7.205 433 HA ARG 63 HA ARG 63 1.768 7.637 -9.888 434 HB2 ARG 63 1HB ARG 63 -0.462 8.258 -9.147 435 HB3 ARG 63 2HB ARG 63 0.179 8.844 -7.618 436 HG2 ARG 63 1HG ARG 63 -0.128 10.792 -8.806 437 HG3 ARG 63 2HG ARG 63 1.577 10.443 -9.097 438 HD2 ARG 63 1HD ARG 63 0.609 9.145 -11.173 439 HD3 ARG 63 2HD ARG 63 -0.752 10.242 -10.943 440 HE ARG 63 HE ARG 63 1.592 11.757 -10.920 441 HH11 ARG 63 1HH1 ARG 63 -0.266 9.807 -13.127 442 HH12 ARG 63 2HH1 ARG 63 0.231 10.691 -14.531 443 HH21 ARG 63 1HH2 ARG 63 2.253 12.929 -12.762 444 HH22 ARG 63 2HH2 ARG 63 1.664 12.466 -14.323 445 H ASP 64 H ASP 64 3.337 9.196 -10.079 446 HA ASP 64 HA ASP 64 5.108 9.480 -7.759 447 HB2 ASP 64 1HB ASP 64 5.941 8.601 -10.012 448 HB3 ASP 64 2HB ASP 64 5.755 10.250 -10.602 449 H ASN 65 H ASN 65 5.205 11.332 -6.682 450 HA ASN 65 HA ASN 65 3.783 13.651 -7.694 451 HB2 ASN 65 1HB ASN 65 4.869 12.799 -5.051 452 HB3 ASN 65 2HB ASN 65 4.677 14.525 -5.342 453 HD21 ASN 65 1HD2 ASN 65 3.023 11.455 -5.136 454 HD22 ASN 65 2HD2 ASN 65 1.443 12.104 -4.878 455 H GLY 66 H GLY 66 7.079 12.680 -6.914 456 HA2 GLY 66 1HA GLY 66 9.023 13.528 -7.902 457 HA3 GLY 66 2HA GLY 66 8.084 14.865 -8.550 458 H ASP 67 H ASP 67 6.936 15.277 -5.773 459 HA ASP 67 HA ASP 67 9.020 17.087 -4.888 460 HB2 ASP 67 1HB ASP 67 6.753 17.936 -4.944 461 HB3 ASP 67 2HB ASP 67 6.197 16.626 -3.906 462 H GLY 68 H GLY 68 9.414 14.190 -4.608 463 HA2 GLY 68 1HA GLY 68 10.559 12.916 -3.049 464 HA3 GLY 68 2HA GLY 68 10.339 14.211 -1.882 465 H THR 69 H THR 69 7.682 12.748 -3.626 466 HA THR 69 HA THR 69 6.974 11.038 -1.390 467 HB THR 69 HB THR 69 4.760 12.010 -1.063 468 HG1 THR 69 1HG THR 69 5.477 14.301 -2.526 469 HG21 THR 69 1HG2 THR 69 5.398 13.791 0.297 470 HG22 THR 69 2HG2 THR 69 6.669 14.309 -0.811 471 HG23 THR 69 3HG2 THR 69 6.883 12.851 0.158 472 H TYR 70 H TYR 70 4.672 10.066 -1.889 473 HA TYR 70 HA TYR 70 4.181 9.744 -4.734 474 HB2 TYR 70 1HB TYR 70 4.856 7.363 -2.995 475 HB3 TYR 70 2HB TYR 70 4.382 7.313 -4.689 476 HD1 TYR 70 1HD TYR 70 7.008 8.698 -2.434 477 HD2 TYR 70 2HD TYR 70 6.016 7.348 -6.345 478 HE1 TYR 70 1HE TYR 70 9.369 8.890 -3.093 479 HE2 TYR 70 2HE TYR 70 8.375 7.534 -7.014 480 HH TYR 70 HH TYR 70 10.551 7.628 -6.084 481 H THR 71 H THR 71 2.219 8.466 -5.161 482 HA THR 71 HA THR 71 0.378 8.393 -2.865 483 HB THR 71 HB THR 71 -0.311 9.436 -5.620 484 HG1 THR 71 1HG THR 71 0.399 10.662 -3.204 485 HG21 THR 71 1HG2 THR 71 -1.942 8.348 -3.551 486 HG22 THR 71 2HG2 THR 71 -2.440 9.058 -5.087 487 HG23 THR 71 3HG2 THR 71 -2.258 10.079 -3.660 488 H VAL 72 H VAL 72 -0.955 6.659 -2.761 489 HA VAL 72 HA VAL 72 -1.095 4.865 -5.084 490 HB VAL 72 HB VAL 72 -0.500 4.001 -2.251 491 HG11 VAL 72 1HG1 VAL 72 -0.258 1.734 -3.534 492 HG12 VAL 72 2HG1 VAL 72 -1.844 2.287 -2.994 493 HG13 VAL 72 3HG1 VAL 72 -1.362 2.496 -4.678 494 HG21 VAL 72 1HG2 VAL 72 1.276 4.912 -4.065 495 HG22 VAL 72 2HG2 VAL 72 1.655 3.694 -2.847 496 HG23 VAL 72 3HG2 VAL 72 1.241 3.201 -4.489 497 H SER 73 H SER 73 -3.068 4.046 -5.474 498 HA SER 73 HA SER 73 -5.122 4.331 -3.382 499 HB2 SER 73 1HB SER 73 -6.744 5.006 -5.057 500 HB3 SER 73 2HB SER 73 -5.351 6.083 -5.141 501 HG SER 73 HG SER 73 -5.363 3.811 -6.767 502 H TYR 74 H TYR 74 -6.695 2.735 -3.281 503 HA TYR 74 HA TYR 74 -6.780 0.602 -5.213 504 HB2 TYR 74 1HB TYR 74 -6.108 -1.187 -3.729 505 HB3 TYR 74 2HB TYR 74 -4.808 -0.005 -3.824 506 HD1 TYR 74 1HD TYR 74 -4.546 1.652 -1.923 507 HD2 TYR 74 2HD TYR 74 -7.060 -1.770 -1.659 508 HE1 TYR 74 1HE TYR 74 -4.528 1.836 0.530 509 HE2 TYR 74 2HE TYR 74 -7.050 -1.596 0.795 510 HH TYR 74 HH TYR 74 -4.894 0.057 2.511 511 H LEU 75 H LEU 75 -8.433 -1.024 -4.664 512 HA LEU 75 HA LEU 75 -10.435 0.003 -2.765 513 HB2 LEU 75 1HB LEU 75 -11.184 0.586 -4.966 514 HB3 LEU 75 2HB LEU 75 -10.878 -1.048 -5.552 515 HG LEU 75 HG LEU 75 -12.677 -1.642 -3.689 516 HD11 LEU 75 1HD1 LEU 75 -13.835 0.938 -4.606 517 HD12 LEU 75 2HD1 LEU 75 -12.720 0.951 -3.240 518 HD13 LEU 75 3HD1 LEU 75 -14.193 -0.016 -3.167 519 HD21 LEU 75 1HD2 LEU 75 -12.621 -1.752 -6.344 520 HD22 LEU 75 2HD2 LEU 75 -13.840 -0.491 -6.162 521 HD23 LEU 75 3HD2 LEU 75 -14.088 -2.072 -5.418 522 HA PRO 76 HA PRO 76 -9.641 -4.279 -1.478 523 HB2 PRO 76 1HB PRO 76 -10.516 -3.893 1.063 524 HB3 PRO 76 2HB PRO 76 -8.888 -3.456 0.531 525 HG2 PRO 76 1HG PRO 76 -11.300 -1.716 0.871 526 HG3 PRO 76 2HG PRO 76 -9.617 -1.399 1.334 527 HD2 PRO 76 1HD PRO 76 -10.729 -0.369 -0.910 528 HD3 PRO 76 2HD PRO 76 -9.010 -0.797 -0.807 529 H ASP 77 H ASP 77 -11.382 -4.929 -2.916 530 HA ASP 77 HA ASP 77 -14.091 -4.627 -2.492 531 HB2 ASP 77 1HB ASP 77 -12.946 -5.723 -4.470 532 HB3 ASP 77 2HB ASP 77 -12.831 -7.183 -3.492 533 H MET 78 H MET 78 -12.137 -7.429 -1.451 534 HA MET 78 HA MET 78 -14.235 -8.393 0.254 535 HB2 MET 78 1HB MET 78 -11.373 -9.239 -0.175 536 HB3 MET 78 2HB MET 78 -12.424 -10.020 0.999 537 HG2 MET 78 1HG MET 78 -13.994 -10.567 -0.825 538 HG3 MET 78 2HG MET 78 -12.854 -9.870 -1.974 539 HE1 MET 78 1HE MET 78 -11.863 -11.317 -3.406 540 HE2 MET 78 2HE MET 78 -10.347 -11.132 -2.523 541 HE3 MET 78 3HE MET 78 -10.886 -12.735 -3.026 542 H SER 79 H SER 79 -13.537 -9.039 2.588 543 HA SER 79 HA SER 79 -12.248 -6.705 3.845 544 HB2 SER 79 1HB SER 79 -14.562 -8.294 4.978 545 HB3 SER 79 2HB SER 79 -13.827 -6.855 5.684 546 HG SER 79 HG SER 79 -15.245 -7.016 3.230 547 H GLY 80 H GLY 80 -10.935 -7.071 5.624 548 HA2 GLY 80 1HA GLY 80 -10.509 -8.978 7.352 549 HA3 GLY 80 2HA GLY 80 -10.037 -9.852 5.902 550 H ARG 81 H ARG 81 -7.953 -10.075 6.946 551 HA ARG 81 HA ARG 81 -6.359 -7.699 7.342 552 HB2 ARG 81 1HB ARG 81 -6.238 -9.938 8.653 553 HB3 ARG 81 2HB ARG 81 -5.270 -10.496 7.295 554 HG2 ARG 81 1HG ARG 81 -3.858 -8.378 7.727 555 HG3 ARG 81 2HG ARG 81 -4.652 -8.372 9.304 556 HD2 ARG 81 1HD ARG 81 -2.759 -9.607 9.746 557 HD3 ARG 81 2HD ARG 81 -3.925 -10.874 9.366 558 HE ARG 81 HE ARG 81 -2.570 -10.090 7.021 559 HH11 ARG 81 1HH1 ARG 81 -2.060 -11.822 9.998 560 HH12 ARG 81 2HH1 ARG 81 -0.827 -12.847 9.343 561 HH21 ARG 81 1HH2 ARG 81 -0.947 -11.433 6.147 562 HH22 ARG 81 2HH2 ARG 81 -0.194 -12.624 7.152 563 H TYR 82 H TYR 82 -5.838 -6.648 5.512 564 HA TYR 82 HA TYR 82 -5.095 -8.115 3.120 565 HB2 TYR 82 1HB TYR 82 -5.722 -5.279 3.777 566 HB3 TYR 82 2HB TYR 82 -4.679 -5.581 2.391 567 HD1 TYR 82 2HD TYR 82 -8.052 -6.014 3.768 568 HD2 TYR 82 1HD TYR 82 -5.541 -6.626 0.389 569 HE1 TYR 82 2HE TYR 82 -10.034 -6.475 2.387 570 HE2 TYR 82 1HE TYR 82 -7.516 -7.087 -1.003 571 HH TYR 82 HH TYR 82 -10.770 -7.172 0.398 572 H THR 83 H THR 83 -3.081 -8.208 2.222 573 HA THR 83 HA THR 83 -0.868 -7.353 3.953 574 HB THR 83 HB THR 83 -0.666 -9.287 1.648 575 HG1 THR 83 1HG THR 83 -1.070 -9.933 4.395 576 HG21 THR 83 1HG2 THR 83 1.160 -8.194 3.625 577 HG22 THR 83 2HG2 THR 83 1.505 -9.103 2.153 578 HG23 THR 83 3HG2 THR 83 1.131 -9.957 3.650 579 H ILE 84 H ILE 84 -0.209 -5.368 3.377 580 HA ILE 84 HA ILE 84 0.007 -4.706 0.529 581 HB ILE 84 HB ILE 84 0.266 -2.886 2.926 582 HG12 ILE 84 1HG1 ILE 84 -2.033 -3.150 0.979 583 HG13 ILE 84 2HG1 ILE 84 -2.012 -3.873 2.584 584 HG21 ILE 84 1HG2 ILE 84 0.727 -1.178 1.537 585 HG22 ILE 84 2HG2 ILE 84 1.274 -2.457 0.453 586 HG23 ILE 84 3HG2 ILE 84 -0.345 -1.781 0.273 587 HD11 ILE 84 1HD1 ILE 84 -2.037 -0.959 1.871 588 HD12 ILE 84 2HD1 ILE 84 -3.255 -1.881 2.753 589 HD13 ILE 84 3HD1 ILE 84 -1.690 -1.551 3.495 590 H THR 85 H THR 85 1.900 -5.389 -0.273 591 HA THR 85 HA THR 85 4.335 -5.110 1.322 592 HB THR 85 HB THR 85 3.901 -6.487 -1.336 593 HG1 THR 85 1HG THR 85 4.559 -7.808 1.058 594 HG21 THR 85 1HG2 THR 85 6.170 -5.839 -1.288 595 HG22 THR 85 2HG2 THR 85 6.155 -7.516 -0.741 596 HG23 THR 85 3HG2 THR 85 6.321 -6.207 0.430 597 H ILE 86 H ILE 86 5.440 -3.281 1.138 598 HA ILE 86 HA ILE 86 5.434 -1.885 -1.457 599 HB ILE 86 HB ILE 86 5.866 -0.738 1.304 600 HG12 ILE 86 1HG1 ILE 86 3.629 -0.240 -0.669 601 HG13 ILE 86 2HG1 ILE 86 3.512 -1.345 0.697 602 HG21 ILE 86 1HG2 ILE 86 5.751 0.712 -1.335 603 HG22 ILE 86 2HG2 ILE 86 6.051 1.414 0.254 604 HG23 ILE 86 3HG2 ILE 86 7.239 0.329 -0.469 605 HD11 ILE 86 1HD1 ILE 86 2.835 1.316 0.691 606 HD12 ILE 86 2HD1 ILE 86 3.099 0.311 2.117 607 HD13 ILE 86 3HD1 ILE 86 4.413 1.300 1.478 608 H LYS 87 H LYS 87 7.285 -1.839 -2.535 609 HA LYS 87 HA LYS 87 9.805 -2.111 -1.034 610 HB2 LYS 87 1HB LYS 87 8.961 -3.492 -3.576 611 HB3 LYS 87 2HB LYS 87 10.652 -3.331 -3.120 612 HG2 LYS 87 1HG LYS 87 10.292 -4.604 -1.118 613 HG3 LYS 87 2HG LYS 87 8.552 -4.649 -1.413 614 HD2 LYS 87 1HD LYS 87 8.892 -5.971 -3.413 615 HD3 LYS 87 2HD LYS 87 10.643 -5.852 -3.226 616 HE2 LYS 87 1HE LYS 87 10.659 -7.251 -1.361 617 HE3 LYS 87 2HE LYS 87 8.939 -7.014 -1.052 618 HZ1 LYS 87 1HZ LYS 87 10.183 -9.031 -2.560 619 HZ2 LYS 87 2HZ LYS 87 9.195 -8.128 -3.594 620 HZ3 LYS 87 3HZ LYS 87 8.539 -8.842 -2.208 621 H TYR 88 H TYR 88 11.409 -0.730 -1.570 622 HA TYR 88 HA TYR 88 10.827 1.209 -3.701 623 HB2 TYR 88 1HB TYR 88 11.170 1.937 -1.256 624 HB3 TYR 88 2HB TYR 88 12.873 1.583 -1.524 625 HD1 TYR 88 1HD TYR 88 10.048 3.639 -2.792 626 HD2 TYR 88 2HD TYR 88 14.269 3.159 -2.554 627 HE1 TYR 88 1HE TYR 88 10.351 5.875 -3.770 628 HE2 TYR 88 2HE TYR 88 14.584 5.394 -3.530 629 HH TYR 88 HH TYR 88 12.009 7.623 -3.890 630 H GLY 89 H GLY 89 12.016 1.190 -5.490 631 HA2 GLY 89 1HA GLY 89 13.560 0.323 -6.999 632 HA3 GLY 89 2HA GLY 89 14.658 1.133 -5.891 633 H GLY 90 H GLY 90 12.724 -1.728 -5.169 634 HA2 GLY 90 1HA GLY 90 13.388 -3.957 -4.991 635 HA3 GLY 90 2HA GLY 90 15.012 -3.487 -5.474 636 H ASP 91 H ASP 91 13.056 -2.197 -2.821 637 HA ASP 91 HA ASP 91 14.684 -3.576 -0.851 638 HB2 ASP 91 1HB ASP 91 15.826 -1.364 -1.582 639 HB3 ASP 91 2HB ASP 91 14.543 -0.579 -0.666 640 H GLU 92 H GLU 92 13.096 -4.455 0.317 641 HA GLU 92 HA GLU 92 10.530 -3.320 0.656 642 HB2 GLU 92 1HB GLU 92 11.338 -5.787 0.912 643 HB3 GLU 92 2HB GLU 92 11.679 -5.321 2.573 644 HG2 GLU 92 1HG GLU 92 9.348 -4.678 2.880 645 HG3 GLU 92 2HG GLU 92 9.001 -5.127 1.211 646 H ILE 93 H ILE 93 9.740 -1.935 2.117 647 HA ILE 93 HA ILE 93 11.483 -0.453 3.784 648 HB ILE 93 HB ILE 93 9.385 0.562 4.696 649 HG12 ILE 93 1HG1 ILE 93 7.964 -1.123 2.635 650 HG13 ILE 93 2HG1 ILE 93 8.044 -1.575 4.334 651 HG21 ILE 93 1HG2 ILE 93 9.800 1.951 3.012 652 HG22 ILE 93 2HG2 ILE 93 10.402 0.635 2.005 653 HG23 ILE 93 3HG2 ILE 93 8.679 1.007 2.031 654 HD11 ILE 93 1HD1 ILE 93 6.169 -0.413 4.571 655 HD12 ILE 93 2HD1 ILE 93 7.168 1.032 4.410 656 HD13 ILE 93 3HD1 ILE 93 6.353 0.361 2.997 657 HA PRO 94 HA PRO 94 11.519 -2.741 7.533 658 HB2 PRO 94 1HB PRO 94 11.710 -0.733 9.349 659 HB3 PRO 94 2HB PRO 94 13.051 -1.212 8.303 660 HG2 PRO 94 1HG PRO 94 11.129 1.063 7.998 661 HG3 PRO 94 2HG PRO 94 12.884 1.039 7.743 662 HD2 PRO 94 1HD PRO 94 11.113 0.902 5.699 663 HD3 PRO 94 2HD PRO 94 12.694 0.095 5.649 664 H TYR 95 H TYR 95 8.899 -1.021 6.544 665 HA TYR 95 HA TYR 95 7.390 -1.484 9.026 666 HB2 TYR 95 1HB TYR 95 6.921 0.357 6.688 667 HB3 TYR 95 2HB TYR 95 5.650 -0.017 7.846 668 HD1 TYR 95 1HD TYR 95 9.095 1.365 7.600 669 HD2 TYR 95 2HD TYR 95 5.490 1.177 9.852 670 HE1 TYR 95 1HE TYR 95 9.938 3.134 9.086 671 HE2 TYR 95 2HE TYR 95 6.322 2.947 11.343 672 HH TYR 95 HH TYR 95 9.266 4.694 10.657 673 H SER 96 H SER 96 7.891 -2.656 5.886 674 HA SER 96 HA SER 96 5.259 -3.887 5.674 675 HB2 SER 96 1HB SER 96 5.826 -3.306 3.537 676 HB3 SER 96 2HB SER 96 7.557 -3.453 3.843 677 HG SER 96 HG SER 96 7.493 -5.475 3.236 678 HA PRO 97 HA PRO 97 4.606 -5.699 4.274 679 HB2 PRO 97 1HB PRO 97 2.891 -7.565 5.248 680 HB3 PRO 97 2HB PRO 97 4.184 -7.951 4.106 681 HG2 PRO 97 1HG PRO 97 4.118 -8.294 7.079 682 HG3 PRO 97 2HG PRO 97 4.725 -9.406 5.837 683 HD2 PRO 97 1HD PRO 97 6.363 -7.826 7.305 684 HD3 PRO 97 2HD PRO 97 6.724 -8.279 5.627 685 H PHE 98 H PHE 98 2.805 -4.446 4.512 686 HA PHE 98 HA PHE 98 2.326 -3.338 7.145 687 HB2 PHE 98 1HB PHE 98 1.665 -2.587 4.353 688 HB3 PHE 98 2HB PHE 98 0.537 -2.055 5.595 689 HD1 PHE 98 2HD PHE 98 1.980 -1.204 7.808 690 HD2 PHE 98 1HD PHE 98 3.136 -0.960 3.719 691 HE1 PHE 98 2HE PHE 98 3.460 0.688 8.343 692 HE2 PHE 98 1HE PHE 98 4.618 0.931 4.247 693 HZ PHE 98 HZ PHE 98 4.781 1.758 6.561 694 H ARG 99 H ARG 99 1.087 -4.536 8.451 695 HA ARG 99 HA ARG 99 -1.060 -6.171 7.452 696 HB2 ARG 99 1HB ARG 99 -1.435 -6.718 9.832 697 HB3 ARG 99 2HB ARG 99 0.239 -6.949 9.346 698 HG2 ARG 99 1HG ARG 99 0.710 -4.668 10.308 699 HG3 ARG 99 2HG ARG 99 -0.914 -4.722 10.998 700 HD2 ARG 99 1HD ARG 99 -0.256 -6.914 12.061 701 HD3 ARG 99 2HD ARG 99 1.398 -6.567 11.557 702 HE ARG 99 HE ARG 99 0.567 -4.337 12.929 703 HH11 ARG 99 1HH1 ARG 99 0.897 -7.733 13.618 704 HH12 ARG 99 2HH1 ARG 99 1.219 -7.493 15.304 705 HH21 ARG 99 1HH2 ARG 99 0.989 -4.008 15.147 706 HH22 ARG 99 2HH2 ARG 99 1.270 -5.374 16.172 707 H ILE 100 H ILE 100 -2.872 -5.219 6.779 708 HA ILE 100 HA ILE 100 -4.015 -3.075 8.449 709 HB ILE 100 HB ILE 100 -4.544 -3.423 5.503 710 HG12 ILE 100 1HG1 ILE 100 -2.135 -2.955 5.925 711 HG13 ILE 100 2HG1 ILE 100 -2.951 -1.651 5.070 712 HG21 ILE 100 1HG2 ILE 100 -5.230 -1.010 5.754 713 HG22 ILE 100 2HG2 ILE 100 -6.267 -2.189 6.556 714 HG23 ILE 100 3HG2 ILE 100 -5.112 -1.245 7.498 715 HD11 ILE 100 1HD1 ILE 100 -3.019 -1.284 7.941 716 HD12 ILE 100 2HD1 ILE 100 -1.376 -1.407 7.313 717 HD13 ILE 100 3HD1 ILE 100 -2.477 -0.190 6.669 718 H HIS 101 H HIS 101 -6.212 -3.119 8.877 719 HA HIS 101 HA HIS 101 -7.571 -5.645 8.201 720 HB2 HIS 101 1HB HIS 101 -6.950 -4.978 10.678 721 HB3 HIS 101 2HB HIS 101 -8.402 -3.990 10.549 722 HD1 HIS 101 1HD HIS 101 -7.548 -7.011 11.939 723 HD2 HIS 101 2HD HIS 101 -10.518 -5.944 9.237 724 HE1 HIS 101 1HE HIS 101 -9.290 -8.817 12.107 725 HE2 HIS 101 2HE HIS 101 -11.036 -8.195 10.401 726 H ALA 102 H ALA 102 -9.293 -5.482 6.937 727 HA ALA 102 HA ALA 102 -10.544 -2.847 6.592 728 HB1 ALA 102 1HB ALA 102 -11.587 -4.111 4.560 729 HB2 ALA 102 2HB ALA 102 -9.920 -3.538 4.487 730 HB3 ALA 102 3HB ALA 102 -10.255 -5.236 4.827 731 H LEU 103 H LEU 103 -12.315 -2.530 7.763 732 HA LEU 103 HA LEU 103 -13.903 -4.752 8.713 733 HB2 LEU 103 1HB LEU 103 -14.487 -1.821 9.045 734 HB3 LEU 103 2HB LEU 103 -15.076 -3.160 10.029 735 HG LEU 103 HG LEU 103 -12.156 -2.465 9.905 736 HD11 LEU 103 1HD1 LEU 103 -13.918 -1.472 12.099 737 HD12 LEU 103 2HD1 LEU 103 -13.766 -0.538 10.611 738 HD13 LEU 103 3HD1 LEU 103 -12.334 -0.896 11.577 739 HD21 LEU 103 1HD2 LEU 103 -11.936 -4.114 11.377 740 HD22 LEU 103 2HD2 LEU 103 -13.625 -4.531 11.084 741 HD23 LEU 103 3HD2 LEU 103 -13.201 -3.438 12.404 742 HA PRO 104 HA PRO 104 -16.846 -4.682 5.428 743 HB2 PRO 104 1HB PRO 104 -18.866 -5.988 6.687 744 HB3 PRO 104 2HB PRO 104 -17.411 -6.804 6.102 745 HG2 PRO 104 1HG PRO 104 -18.085 -5.887 8.871 746 HG3 PRO 104 2HG PRO 104 -17.341 -7.409 8.346 747 HD2 PRO 104 1HD PRO 104 -15.896 -5.354 9.358 748 HD3 PRO 104 2HD PRO 104 -15.253 -6.458 8.126 749 H THR 105 H THR 105 -17.511 -2.604 5.085 750 HA THR 105 HA THR 105 -18.951 -1.040 6.951 751 HB THR 105 HB THR 105 -19.400 0.483 5.069 752 HG1 THR 105 1HG THR 105 -18.773 -0.096 2.991 753 HG21 THR 105 1HG2 THR 105 -16.791 -0.435 5.912 754 HG22 THR 105 2HG2 THR 105 -17.355 1.206 5.596 755 HG23 THR 105 3HG2 THR 105 -16.741 0.214 4.274 756 H GLY 106 H GLY 106 -20.720 -2.243 7.687 757 HA2 GLY 106 1HA GLY 106 -22.628 -3.461 5.987 758 HA3 GLY 106 2HA GLY 106 -22.869 -3.055 7.680 759 H ASP 107 H ASP 107 -22.649 -0.331 7.675 760 HA ASP 107 HA ASP 107 -25.174 0.537 6.984 761 HB2 ASP 107 1HB ASP 107 -24.223 2.855 7.152 762 HB3 ASP 107 2HB ASP 107 -23.849 1.815 8.523 763 H ALA 108 H ALA 108 -22.158 1.142 5.181 764 HA ALA 108 HA ALA 108 -23.185 2.532 3.038 765 HB1 ALA 108 1HB ALA 108 -20.871 0.645 3.280 766 HB2 ALA 108 2HB ALA 108 -21.272 1.396 1.735 767 HB3 ALA 108 3HB ALA 108 -20.866 2.403 3.125 768 H SER 109 H SER 109 -24.982 1.973 1.971 769 HA SER 109 HA SER 109 -25.971 -0.602 1.590 770 HB2 SER 109 1HB SER 109 -27.383 1.357 1.301 771 HB3 SER 109 2HB SER 109 -26.419 1.884 -0.079 772 HG SER 109 HG SER 109 -28.006 0.826 -1.057 773 H SER 110 H SER 110 -23.993 1.401 -0.571 774 HA SER 110 HA SER 110 -22.910 -0.976 -1.812 775 HB2 SER 110 1HB SER 110 -24.756 0.897 -3.256 776 HB3 SER 110 2HB SER 110 -23.452 0.100 -4.137 777 HG SER 110 HG SER 110 -24.343 -1.899 -3.153 778 H GLY 111 H GLY 111 -21.244 -0.355 -3.511 779 HA2 GLY 111 1HA GLY 111 -20.152 2.323 -3.254 780 HA3 GLY 111 2HA GLY 111 -19.179 1.050 -2.532 781 HA PRO 112 HA PRO 112 -17.243 0.421 -6.418 782 HB2 PRO 112 1HB PRO 112 -16.488 -2.175 -6.164 783 HB3 PRO 112 2HB PRO 112 -15.701 -0.856 -5.290 784 HG2 PRO 112 1HG PRO 112 -17.791 -2.776 -4.338 785 HG3 PRO 112 2HG PRO 112 -16.335 -2.204 -3.504 786 HD2 PRO 112 1HD PRO 112 -18.797 -1.202 -2.990 787 HD3 PRO 112 2HD PRO 112 -17.323 -0.219 -2.874 788 H SER 113 H SER 113 -17.651 -0.361 -8.457 789 HA SER 113 HA SER 113 -19.873 -2.269 -8.749 790 HB2 SER 113 1HB SER 113 -19.555 0.447 -9.964 791 HB3 SER 113 2HB SER 113 -20.359 -0.813 -10.899 792 HG SER 113 HG SER 113 -21.995 0.013 -9.777 793 H SER 114 H SER 114 -17.120 -0.689 -10.329 794 HA SER 114 HA SER 114 -16.618 -3.198 -11.778 795 HB2 SER 114 1HB SER 114 -17.669 -1.454 -13.269 796 HB3 SER 114 2HB SER 114 -16.238 -0.458 -13.002 797 HG SER 114 HG SER 114 -16.571 -2.465 -14.730 798 H GLY 115 H GLY 115 -15.143 0.009 -11.218 799 HA2 GLY 115 1HA GLY 115 -12.484 -0.811 -11.428 800 HA3 GLY 115 2HA GLY 115 -13.033 0.600 -10.536 Start of MODEL 10 1 H1 GLY 1 H GLY 1 17.437 -3.702 -20.937 2 HA2 GLY 1 1HA GLY 1 17.398 -3.051 -23.765 3 HA3 GLY 1 2HA GLY 1 16.312 -2.094 -22.769 4 H SER 2 H SER 2 17.711 -1.614 -20.520 5 HA SER 2 HA SER 2 20.307 -0.528 -21.327 6 HB2 SER 2 1HB SER 2 17.952 1.062 -20.346 7 HB3 SER 2 2HB SER 2 19.597 1.616 -20.033 8 HG SER 2 HG SER 2 19.940 1.482 -22.329 9 H SER 3 H SER 3 21.589 0.231 -19.462 10 HA SER 3 HA SER 3 20.782 -0.576 -16.821 11 HB2 SER 3 1HB SER 3 22.383 -2.317 -16.469 12 HB3 SER 3 2HB SER 3 21.518 -2.723 -17.951 13 HG SER 3 HG SER 3 23.831 -2.938 -18.101 14 H GLY 4 H GLY 4 22.687 -0.311 -15.255 15 HA2 GLY 4 1HA GLY 4 24.828 0.742 -14.845 16 HA3 GLY 4 2HA GLY 4 24.512 1.798 -16.214 17 H SER 5 H SER 5 23.860 1.175 -12.851 18 HA SER 5 HA SER 5 23.283 3.943 -12.386 19 HB2 SER 5 1HB SER 5 21.079 1.927 -12.421 20 HB3 SER 5 2HB SER 5 21.035 3.193 -11.194 21 HG SER 5 HG SER 5 19.994 3.610 -13.328 22 H SER 6 H SER 6 23.270 4.488 -10.159 23 HA SER 6 HA SER 6 24.772 2.626 -8.539 24 HB2 SER 6 1HB SER 6 25.085 5.210 -8.726 25 HB3 SER 6 2HB SER 6 23.771 5.281 -7.551 26 HG SER 6 HG SER 6 25.015 4.134 -6.110 27 H GLY 7 H GLY 7 23.986 1.340 -6.999 28 HA2 GLY 7 1HA GLY 7 21.126 1.424 -6.445 29 HA3 GLY 7 2HA GLY 7 22.239 0.142 -5.992 30 H ALA 8 H ALA 8 21.826 3.621 -5.314 31 HA ALA 8 HA ALA 8 22.398 3.029 -2.486 32 HB1 ALA 8 1HB ALA 8 23.454 5.051 -2.260 33 HB2 ALA 8 2HB ALA 8 23.836 4.673 -3.941 34 HB3 ALA 8 3HB ALA 8 22.534 5.802 -3.565 35 H HIS 9 H HIS 9 20.106 2.383 -2.333 36 HA HIS 9 HA HIS 9 18.386 4.740 -1.931 37 HB2 HIS 9 1HB HIS 9 16.448 3.255 -2.516 38 HB3 HIS 9 2HB HIS 9 17.531 3.599 -3.861 39 HD1 HIS 9 1HD HIS 9 18.880 1.634 -4.828 40 HD2 HIS 9 2HD HIS 9 16.424 0.583 -1.647 41 HE1 HIS 9 1HE HIS 9 18.828 -0.880 -4.821 42 HE2 HIS 9 2HE HIS 9 17.267 -1.491 -2.941 43 H ASP 10 H ASP 10 17.181 4.807 -0.078 44 HA ASP 10 HA ASP 10 17.607 2.599 1.828 45 HB2 ASP 10 1HB ASP 10 18.714 4.886 2.286 46 HB3 ASP 10 2HB ASP 10 17.084 5.446 2.652 47 H ALA 11 H ALA 11 15.733 1.473 1.531 48 HA ALA 11 HA ALA 11 13.183 2.621 1.174 49 HB1 ALA 11 1HB ALA 11 12.980 0.047 2.409 50 HB2 ALA 11 2HB ALA 11 12.647 0.512 0.741 51 HB3 ALA 11 3HB ALA 11 14.277 0.031 1.213 52 H SER 12 H SER 12 15.133 2.263 3.948 53 HA SER 12 HA SER 12 13.029 2.129 5.886 54 HB2 SER 12 1HB SER 12 15.735 3.188 6.585 55 HB3 SER 12 2HB SER 12 14.698 2.080 7.483 56 HG SER 12 HG SER 12 15.887 0.571 6.651 57 H LYS 13 H LYS 13 14.333 4.603 3.973 58 HA LYS 13 HA LYS 13 13.624 6.737 5.825 59 HB2 LYS 13 1HB LYS 13 14.786 6.805 3.034 60 HB3 LYS 13 2HB LYS 13 14.464 8.231 4.011 61 HG2 LYS 13 1HG LYS 13 16.195 6.068 5.110 62 HG3 LYS 13 2HG LYS 13 16.854 7.198 3.925 63 HD2 LYS 13 1HD LYS 13 16.679 8.997 5.342 64 HD3 LYS 13 2HD LYS 13 15.350 8.283 6.258 65 HE2 LYS 13 1HE LYS 13 17.102 8.125 7.753 66 HE3 LYS 13 2HE LYS 13 17.137 6.540 6.982 67 HZ1 LYS 13 1HZ LYS 13 18.964 8.822 6.594 68 HZ2 LYS 13 2HZ LYS 13 18.810 7.635 5.399 69 HZ3 LYS 13 3HZ LYS 13 19.337 7.211 6.950 70 H VAL 14 H VAL 14 11.712 4.826 4.347 71 HA VAL 14 HA VAL 14 10.104 6.783 2.878 72 HB VAL 14 HB VAL 14 9.709 3.802 3.175 73 HG11 VAL 14 1HG1 VAL 14 8.408 5.444 1.058 74 HG12 VAL 14 2HG1 VAL 14 7.879 3.933 1.800 75 HG13 VAL 14 3HG1 VAL 14 7.722 5.452 2.683 76 HG21 VAL 14 1HG2 VAL 14 11.259 5.458 1.298 77 HG22 VAL 14 2HG2 VAL 14 11.475 3.773 1.771 78 HG23 VAL 14 3HG2 VAL 14 10.262 4.202 0.564 79 H ARG 15 H ARG 15 8.295 7.652 3.678 80 HA ARG 15 HA ARG 15 7.400 6.755 6.324 81 HB2 ARG 15 1HB ARG 15 7.938 9.062 6.353 82 HB3 ARG 15 2HB ARG 15 7.103 9.355 4.834 83 HG2 ARG 15 1HG ARG 15 5.654 10.245 6.393 84 HG3 ARG 15 2HG ARG 15 4.987 8.633 6.126 85 HD2 ARG 15 1HD ARG 15 6.086 7.821 8.134 86 HD3 ARG 15 2HD ARG 15 6.836 9.398 8.383 87 HE ARG 15 HE ARG 15 3.945 9.408 8.278 88 HH11 ARG 15 1HH1 ARG 15 6.789 9.206 10.277 89 HH12 ARG 15 2HH1 ARG 15 5.971 9.715 11.717 90 HH21 ARG 15 1HH2 ARG 15 2.858 10.079 10.168 91 HH22 ARG 15 2HH2 ARG 15 3.736 10.210 11.655 92 H ALA 16 H ALA 16 5.186 6.450 6.774 93 HA ALA 16 HA ALA 16 3.404 6.240 4.450 94 HB1 ALA 16 1HB ALA 16 3.309 4.027 4.538 95 HB2 ALA 16 2HB ALA 16 4.540 4.036 5.802 96 HB3 ALA 16 3HB ALA 16 2.831 4.092 6.235 97 H SER 17 H SER 17 1.606 7.343 4.816 98 HA SER 17 HA SER 17 0.170 7.133 7.291 99 HB2 SER 17 1HB SER 17 1.570 9.709 6.573 100 HB3 SER 17 2HB SER 17 0.171 9.663 7.646 101 HG SER 17 HG SER 17 1.576 7.923 8.730 102 H GLY 18 H GLY 18 -1.934 7.217 6.840 103 HA2 GLY 18 1HA GLY 18 -3.327 9.062 5.383 104 HA3 GLY 18 2HA GLY 18 -2.808 7.884 4.186 105 HA PRO 19 HA PRO 19 -6.856 6.563 6.151 106 HB2 PRO 19 1HB PRO 19 -8.269 6.448 3.836 107 HB3 PRO 19 2HB PRO 19 -8.141 7.917 4.810 108 HG2 PRO 19 1HG PRO 19 -6.626 7.138 2.348 109 HG3 PRO 19 2HG PRO 19 -7.333 8.707 2.778 110 HD2 PRO 19 1HD PRO 19 -4.694 8.172 3.062 111 HD3 PRO 19 2HD PRO 19 -5.569 9.268 4.151 112 H GLY 20 H GLY 20 -5.294 5.579 3.116 113 HA2 GLY 20 1HA GLY 20 -6.398 2.971 3.040 114 HA3 GLY 20 2HA GLY 20 -4.969 3.510 2.172 115 H LEU 21 H LEU 21 -3.560 4.305 4.607 116 HA LEU 21 HA LEU 21 -2.660 1.640 5.390 117 HB2 LEU 21 1HB LEU 21 -1.445 4.359 5.857 118 HB3 LEU 21 2HB LEU 21 -0.720 2.828 6.343 119 HG LEU 21 HG LEU 21 -1.253 3.685 3.498 120 HD11 LEU 21 1HD1 LEU 21 1.442 3.406 3.769 121 HD12 LEU 21 2HD1 LEU 21 0.996 4.107 5.325 122 HD13 LEU 21 3HD1 LEU 21 0.572 4.939 3.829 123 HD21 LEU 21 1HD2 LEU 21 -0.885 1.127 4.593 124 HD22 LEU 21 2HD2 LEU 21 0.647 1.562 3.834 125 HD23 LEU 21 3HD2 LEU 21 -0.844 1.590 2.891 126 H ASN 22 H ASN 22 -5.147 2.845 6.427 127 HA ASN 22 HA ASN 22 -4.780 3.740 9.078 128 HB2 ASN 22 1HB ASN 22 -6.882 3.871 7.574 129 HB3 ASN 22 2HB ASN 22 -7.225 2.246 8.161 130 HD21 ASN 22 1HD2 ASN 22 -8.149 2.000 10.095 131 HD22 ASN 22 2HD2 ASN 22 -8.472 3.282 11.207 132 H ALA 23 H ALA 23 -3.828 2.603 10.630 133 HA ALA 23 HA ALA 23 -3.737 -0.266 10.603 134 HB1 ALA 23 1HB ALA 23 -2.946 1.054 13.090 135 HB2 ALA 23 2HB ALA 23 -2.040 -0.043 12.047 136 HB3 ALA 23 3HB ALA 23 -2.131 1.674 11.655 137 H SER 24 H SER 24 -5.770 2.135 12.016 138 HA SER 24 HA SER 24 -6.802 0.464 14.115 139 HB2 SER 24 1HB SER 24 -7.782 3.088 12.968 140 HB3 SER 24 2HB SER 24 -8.495 2.290 14.370 141 HG SER 24 HG SER 24 -6.993 3.195 15.506 142 H GLY 25 H GLY 25 -7.261 0.599 10.794 143 HA2 GLY 25 1HA GLY 25 -8.674 -1.320 10.006 144 HA3 GLY 25 2HA GLY 25 -9.930 -0.647 11.036 145 H ILE 26 H ILE 26 -9.221 -1.009 7.954 146 HA ILE 26 HA ILE 26 -10.017 1.696 7.128 147 HB ILE 26 HB ILE 26 -9.351 1.021 4.855 148 HG12 ILE 26 1HG1 ILE 26 -8.075 -1.447 5.974 149 HG13 ILE 26 2HG1 ILE 26 -9.769 -1.495 5.500 150 HG21 ILE 26 1HG2 ILE 26 -7.723 2.141 6.226 151 HG22 ILE 26 2HG2 ILE 26 -7.266 0.622 6.994 152 HG23 ILE 26 3HG2 ILE 26 -6.912 0.888 5.288 153 HD11 ILE 26 1HD1 ILE 26 -7.369 -1.500 3.866 154 HD12 ILE 26 2HD1 ILE 26 -9.010 -2.016 3.478 155 HD13 ILE 26 3HD1 ILE 26 -8.564 -0.316 3.338 156 HA PRO 27 HA PRO 27 -14.095 0.331 6.182 157 HB2 PRO 27 1HB PRO 27 -14.764 2.226 4.357 158 HB3 PRO 27 2HB PRO 27 -14.655 2.557 6.090 159 HG2 PRO 27 1HG PRO 27 -12.659 3.104 3.926 160 HG3 PRO 27 2HG PRO 27 -13.155 4.138 5.278 161 HD2 PRO 27 1HD PRO 27 -10.863 2.696 5.312 162 HD3 PRO 27 2HD PRO 27 -11.797 3.039 6.782 163 H ALA 28 H ALA 28 -14.111 -1.582 5.109 164 HA ALA 28 HA ALA 28 -12.939 -2.044 2.583 165 HB1 ALA 28 1HB ALA 28 -14.987 -3.554 4.182 166 HB2 ALA 28 2HB ALA 28 -14.406 -4.116 2.614 167 HB3 ALA 28 3HB ALA 28 -13.277 -3.925 3.955 168 H SER 29 H SER 29 -14.251 -2.862 0.677 169 HA SER 29 HA SER 29 -15.621 -2.360 -1.069 170 HB2 SER 29 1HB SER 29 -17.267 -3.229 0.712 171 HB3 SER 29 2HB SER 29 -17.708 -1.537 0.943 172 HG SER 29 HG SER 29 -18.058 -1.540 -1.417 173 H LEU 30 H LEU 30 -13.937 -0.249 0.078 174 HA LEU 30 HA LEU 30 -15.252 2.008 -1.214 175 HB2 LEU 30 1HB LEU 30 -15.784 2.181 1.192 176 HB3 LEU 30 2HB LEU 30 -14.058 2.206 1.548 177 HG LEU 30 HG LEU 30 -14.039 4.307 0.014 178 HD11 LEU 30 1HD1 LEU 30 -15.969 5.205 -0.636 179 HD12 LEU 30 2HD1 LEU 30 -16.699 4.984 0.954 180 HD13 LEU 30 3HD1 LEU 30 -16.713 3.663 -0.213 181 HD21 LEU 30 1HD2 LEU 30 -13.999 3.938 2.683 182 HD22 LEU 30 2HD2 LEU 30 -15.441 4.941 2.527 183 HD23 LEU 30 3HD2 LEU 30 -13.893 5.519 1.908 184 HA PRO 31 HA PRO 31 -11.194 2.487 -2.877 185 HB2 PRO 31 1HB PRO 31 -11.475 4.997 -3.871 186 HB3 PRO 31 2HB PRO 31 -12.212 3.578 -4.624 187 HG2 PRO 31 1HG PRO 31 -13.445 5.613 -2.807 188 HG3 PRO 31 2HG PRO 31 -14.105 4.885 -4.283 189 HD2 PRO 31 1HD PRO 31 -14.823 4.062 -1.806 190 HD3 PRO 31 2HD PRO 31 -14.751 2.958 -3.195 191 H VAL 32 H VAL 32 -9.560 2.695 -1.465 192 HA VAL 32 HA VAL 32 -9.312 5.245 -0.003 193 HB VAL 32 HB VAL 32 -9.746 3.169 1.406 194 HG11 VAL 32 1HG1 VAL 32 -8.206 1.729 0.038 195 HG12 VAL 32 2HG1 VAL 32 -6.857 2.573 0.802 196 HG13 VAL 32 3HG1 VAL 32 -7.976 1.627 1.784 197 HG21 VAL 32 1HG2 VAL 32 -7.192 4.680 1.946 198 HG22 VAL 32 2HG2 VAL 32 -8.814 5.287 2.276 199 HG23 VAL 32 3HG2 VAL 32 -8.210 3.872 3.137 200 H GLU 33 H GLU 33 -7.309 6.225 0.075 201 HA GLU 33 HA GLU 33 -5.094 4.940 -1.346 202 HB2 GLU 33 1HB GLU 33 -4.657 7.202 -2.458 203 HB3 GLU 33 2HB GLU 33 -5.973 6.230 -3.101 204 HG2 GLU 33 1HG GLU 33 -7.587 7.653 -2.342 205 HG3 GLU 33 2HG GLU 33 -6.599 8.237 -1.004 206 H PHE 34 H PHE 34 -3.148 5.302 -0.448 207 HA PHE 34 HA PHE 34 -3.053 7.153 1.834 208 HB2 PHE 34 1HB PHE 34 -1.026 5.781 2.496 209 HB3 PHE 34 2HB PHE 34 -2.571 4.939 2.555 210 HD1 PHE 34 1HD PHE 34 -3.200 3.511 0.517 211 HD2 PHE 34 2HD PHE 34 0.749 4.889 1.306 212 HE1 PHE 34 1HE PHE 34 -2.297 1.751 -0.946 213 HE2 PHE 34 2HE PHE 34 1.658 3.132 -0.157 214 HZ PHE 34 HZ PHE 34 0.135 1.560 -1.286 215 H THR 35 H THR 35 -0.469 7.608 2.218 216 HA THR 35 HA THR 35 0.645 8.584 -0.316 217 HB THR 35 HB THR 35 0.319 10.259 2.181 218 HG1 THR 35 1HG THR 35 -0.951 10.168 -0.326 219 HG21 THR 35 1HG2 THR 35 2.406 10.371 0.385 220 HG22 THR 35 2HG2 THR 35 1.868 11.692 1.423 221 HG23 THR 35 3HG2 THR 35 1.281 11.578 -0.236 222 H ILE 36 H ILE 36 2.761 8.203 -0.517 223 HA ILE 36 HA ILE 36 4.236 7.352 1.885 224 HB ILE 36 HB ILE 36 4.811 6.688 -1.006 225 HG12 ILE 36 1HG1 ILE 36 2.756 5.630 0.054 226 HG13 ILE 36 2HG1 ILE 36 3.960 4.511 -0.577 227 HG21 ILE 36 1HG2 ILE 36 6.188 4.898 0.530 228 HG22 ILE 36 2HG2 ILE 36 6.876 6.341 -0.214 229 HG23 ILE 36 3HG2 ILE 36 6.342 6.385 1.466 230 HD11 ILE 36 1HD1 ILE 36 3.987 3.508 1.389 231 HD12 ILE 36 2HD1 ILE 36 4.638 4.982 2.106 232 HD13 ILE 36 3HD1 ILE 36 2.895 4.720 2.059 233 H ASP 37 H ASP 37 5.003 9.337 2.562 234 HA ASP 37 HA ASP 37 6.360 11.113 0.741 235 HB2 ASP 37 1HB ASP 37 6.011 11.146 3.742 236 HB3 ASP 37 2HB ASP 37 6.882 12.391 2.852 237 H ALA 38 H ALA 38 8.194 10.240 -0.077 238 HA ALA 38 HA ALA 38 10.283 9.507 1.864 239 HB1 ALA 38 1HB ALA 38 9.121 7.852 -0.149 240 HB2 ALA 38 2HB ALA 38 10.815 8.145 -0.548 241 HB3 ALA 38 3HB ALA 38 10.384 7.460 1.019 242 H ARG 39 H ARG 39 11.895 10.915 1.768 243 HA ARG 39 HA ARG 39 12.331 12.448 -0.681 244 HB2 ARG 39 1HB ARG 39 13.575 12.799 2.052 245 HB3 ARG 39 2HB ARG 39 13.717 13.908 0.695 246 HG2 ARG 39 1HG ARG 39 12.067 14.964 1.821 247 HG3 ARG 39 2HG ARG 39 11.066 13.853 0.883 248 HD2 ARG 39 1HD ARG 39 10.365 13.846 3.201 249 HD3 ARG 39 2HD ARG 39 11.067 12.285 2.777 250 HE ARG 39 HE ARG 39 13.098 13.859 3.849 251 HH11 ARG 39 1HH1 ARG 39 10.103 12.403 4.865 252 HH12 ARG 39 2HH1 ARG 39 10.601 12.220 6.514 253 HH21 ARG 39 1HH2 ARG 39 13.765 13.623 6.018 254 HH22 ARG 39 2HH2 ARG 39 12.683 12.915 7.169 255 H ASP 40 H ASP 40 14.347 10.758 1.731 256 HA ASP 40 HA ASP 40 16.410 10.397 -0.317 257 HB2 ASP 40 1HB ASP 40 16.426 10.211 2.688 258 HB3 ASP 40 2HB ASP 40 17.743 9.553 1.722 259 H ALA 41 H ALA 41 13.925 8.859 -0.311 260 HA ALA 41 HA ALA 41 14.393 6.246 0.688 261 HB1 ALA 41 1HB ALA 41 12.500 7.278 -1.414 262 HB2 ALA 41 2HB ALA 41 12.517 5.609 -0.844 263 HB3 ALA 41 3HB ALA 41 12.145 6.919 0.276 264 H GLY 42 H GLY 42 15.868 7.902 -1.794 265 HA2 GLY 42 1HA GLY 42 17.726 6.774 -2.896 266 HA3 GLY 42 2HA GLY 42 16.689 5.365 -3.061 267 H GLU 43 H GLU 43 18.020 6.348 -5.243 268 HA GLU 43 HA GLU 43 16.106 7.964 -6.745 269 HB2 GLU 43 1HB GLU 43 18.741 8.184 -6.714 270 HB3 GLU 43 2HB GLU 43 18.639 6.931 -7.943 271 HG2 GLU 43 1HG GLU 43 17.306 8.332 -9.352 272 HG3 GLU 43 2HG GLU 43 17.177 9.555 -8.089 273 H GLY 44 H GLY 44 14.743 5.844 -6.366 274 HA2 GLY 44 1HA GLY 44 15.030 4.259 -8.838 275 HA3 GLY 44 2HA GLY 44 14.690 3.474 -7.303 276 H LEU 45 H LEU 45 12.751 2.609 -8.114 277 HA LEU 45 HA LEU 45 10.593 4.592 -8.424 278 HB2 LEU 45 1HB LEU 45 9.524 3.250 -10.016 279 HB3 LEU 45 2HB LEU 45 11.224 3.256 -10.482 280 HG LEU 45 HG LEU 45 11.242 1.009 -9.080 281 HD11 LEU 45 1HD1 LEU 45 9.137 -0.231 -9.468 282 HD12 LEU 45 2HD1 LEU 45 8.381 1.274 -9.989 283 HD13 LEU 45 3HD1 LEU 45 8.957 1.106 -8.331 284 HD21 LEU 45 1HD2 LEU 45 11.860 1.242 -11.431 285 HD22 LEU 45 2HD2 LEU 45 10.156 1.238 -11.886 286 HD23 LEU 45 3HD2 LEU 45 10.881 -0.202 -11.169 287 H LEU 46 H LEU 46 8.859 4.393 -7.129 288 HA LEU 46 HA LEU 46 8.959 2.472 -4.989 289 HB2 LEU 46 1HB LEU 46 8.249 4.611 -4.352 290 HB3 LEU 46 2HB LEU 46 7.125 4.735 -5.704 291 HG LEU 46 HG LEU 46 5.935 2.738 -4.459 292 HD11 LEU 46 1HD1 LEU 46 7.996 3.250 -2.680 293 HD12 LEU 46 2HD1 LEU 46 6.536 2.314 -2.361 294 HD13 LEU 46 3HD1 LEU 46 6.590 4.029 -1.953 295 HD21 LEU 46 1HD2 LEU 46 5.796 5.680 -4.005 296 HD22 LEU 46 2HD2 LEU 46 4.792 4.613 -3.023 297 HD23 LEU 46 3HD2 LEU 46 4.636 4.601 -4.780 298 H THR 47 H THR 47 7.736 0.688 -4.703 299 HA THR 47 HA THR 47 5.678 0.097 -6.727 300 HB THR 47 HB THR 47 6.338 -2.240 -6.747 301 HG1 THR 47 1HG THR 47 7.358 -2.880 -5.003 302 HG21 THR 47 1HG2 THR 47 8.394 -2.062 -7.959 303 HG22 THR 47 2HG2 THR 47 8.808 -0.553 -7.144 304 HG23 THR 47 3HG2 THR 47 7.460 -0.602 -8.280 305 H VAL 48 H VAL 48 3.819 -0.854 -6.014 306 HA VAL 48 HA VAL 48 3.655 -1.566 -3.165 307 HB VAL 48 HB VAL 48 1.569 0.039 -4.649 308 HG11 VAL 48 1HG1 VAL 48 0.179 -0.271 -2.922 309 HG12 VAL 48 2HG1 VAL 48 1.212 -1.644 -2.521 310 HG13 VAL 48 3HG1 VAL 48 1.467 -0.087 -1.732 311 HG21 VAL 48 1HG2 VAL 48 3.873 0.817 -2.978 312 HG22 VAL 48 2HG2 VAL 48 3.045 1.707 -4.255 313 HG23 VAL 48 3HG2 VAL 48 2.350 1.639 -2.635 314 H GLN 49 H GLN 49 2.443 -3.332 -2.694 315 HA GLN 49 HA GLN 49 0.766 -4.494 -4.794 316 HB2 GLN 49 1HB GLN 49 2.955 -5.575 -5.000 317 HB3 GLN 49 2HB GLN 49 2.913 -6.006 -3.296 318 HG2 GLN 49 1HG GLN 49 1.250 -7.599 -3.610 319 HG3 GLN 49 2HG GLN 49 0.766 -6.924 -5.164 320 HE21 GLN 49 1HE2 GLN 49 1.009 -9.409 -5.436 321 HE22 GLN 49 2HE2 GLN 49 2.525 -9.923 -6.085 322 H ILE 50 H ILE 50 -0.997 -5.618 -4.064 323 HA ILE 50 HA ILE 50 -1.306 -5.850 -1.143 324 HB ILE 50 HB ILE 50 -3.548 -5.122 -3.024 325 HG12 ILE 50 1HG1 ILE 50 -1.994 -3.286 -1.187 326 HG13 ILE 50 2HG1 ILE 50 -1.813 -3.339 -2.937 327 HG21 ILE 50 1HG2 ILE 50 -3.297 -5.638 -0.127 328 HG22 ILE 50 2HG2 ILE 50 -4.328 -4.288 -0.599 329 HG23 ILE 50 3HG2 ILE 50 -4.658 -5.907 -1.216 330 HD11 ILE 50 1HD1 ILE 50 -3.454 -1.880 -3.143 331 HD12 ILE 50 2HD1 ILE 50 -4.563 -3.003 -2.356 332 HD13 ILE 50 3HD1 ILE 50 -3.649 -1.845 -1.391 333 H LEU 51 H LEU 51 -1.978 -7.775 -0.426 334 HA LEU 51 HA LEU 51 -2.934 -9.724 -2.418 335 HB2 LEU 51 1HB LEU 51 -1.406 -10.170 0.141 336 HB3 LEU 51 2HB LEU 51 -2.053 -11.456 -0.876 337 HG LEU 51 HG LEU 51 0.233 -9.592 -1.430 338 HD11 LEU 51 1HD1 LEU 51 1.168 -11.916 -2.121 339 HD12 LEU 51 2HD1 LEU 51 -0.166 -12.538 -1.151 340 HD13 LEU 51 3HD1 LEU 51 1.049 -11.494 -0.413 341 HD21 LEU 51 1HD2 LEU 51 -0.882 -9.437 -3.467 342 HD22 LEU 51 2HD2 LEU 51 -1.473 -11.097 -3.381 343 HD23 LEU 51 3HD2 LEU 51 0.232 -10.783 -3.711 344 H ASP 52 H ASP 52 -5.050 -10.026 -2.262 345 HA ASP 52 HA ASP 52 -6.777 -9.240 -0.314 346 HB2 ASP 52 1HB ASP 52 -8.067 -11.464 -1.101 347 HB3 ASP 52 2HB ASP 52 -7.960 -10.016 -2.098 348 HA PRO 53 HA PRO 53 -6.391 -11.756 3.255 349 HB2 PRO 53 1HB PRO 53 -8.972 -12.233 3.950 350 HB3 PRO 53 2HB PRO 53 -8.205 -10.651 4.130 351 HG2 PRO 53 1HG PRO 53 -10.019 -11.641 1.965 352 HG3 PRO 53 2HG PRO 53 -10.018 -10.073 2.793 353 HD2 PRO 53 1HD PRO 53 -8.938 -10.423 0.334 354 HD3 PRO 53 2HD PRO 53 -8.294 -9.251 1.502 355 H GLU 54 H GLU 54 -7.252 -13.055 0.398 356 HA GLU 54 HA GLU 54 -7.855 -15.714 1.496 357 HB2 GLU 54 1HB GLU 54 -8.188 -14.609 -1.297 358 HB3 GLU 54 2HB GLU 54 -8.493 -16.282 -0.854 359 HG2 GLU 54 1HG GLU 54 -10.260 -15.598 0.648 360 HG3 GLU 54 2HG GLU 54 -9.923 -13.902 0.307 361 H GLY 55 H GLY 55 -5.494 -13.865 -0.241 362 HA2 GLY 55 1HA GLY 55 -3.191 -14.650 -0.130 363 HA3 GLY 55 2HA GLY 55 -3.800 -16.278 -0.390 364 H LYS 56 H LYS 56 -4.777 -13.368 -2.129 365 HA LYS 56 HA LYS 56 -3.392 -14.368 -4.519 366 HB2 LYS 56 1HB LYS 56 -6.162 -13.210 -4.684 367 HB3 LYS 56 2HB LYS 56 -5.292 -14.147 -5.891 368 HG2 LYS 56 1HG LYS 56 -6.110 -15.328 -3.258 369 HG3 LYS 56 2HG LYS 56 -7.191 -15.298 -4.653 370 HD2 LYS 56 1HD LYS 56 -5.780 -16.686 -5.915 371 HD3 LYS 56 2HD LYS 56 -4.409 -16.416 -4.835 372 HE2 LYS 56 1HE LYS 56 -6.876 -17.671 -3.735 373 HE3 LYS 56 2HE LYS 56 -5.810 -18.647 -4.745 374 HZ1 LYS 56 1HZ LYS 56 -4.782 -17.102 -2.444 375 HZ2 LYS 56 2HZ LYS 56 -4.053 -18.397 -3.250 376 HZ3 LYS 56 3HZ LYS 56 -5.395 -18.667 -2.257 377 HA PRO 57 HA PRO 57 -2.069 -10.218 -5.082 378 HB2 PRO 57 1HB PRO 57 -1.822 -10.129 -7.784 379 HB3 PRO 57 2HB PRO 57 -0.699 -11.015 -6.745 380 HG2 PRO 57 1HG PRO 57 -3.014 -12.042 -8.341 381 HG3 PRO 57 2HG PRO 57 -1.392 -12.733 -8.150 382 HD2 PRO 57 1HD PRO 57 -3.537 -13.649 -6.776 383 HD3 PRO 57 2HD PRO 57 -1.894 -13.667 -6.104 384 H LYS 58 H LYS 58 -2.955 -8.236 -5.315 385 HA LYS 58 HA LYS 58 -5.599 -8.084 -6.600 386 HB2 LYS 58 1HB LYS 58 -4.396 -6.432 -4.375 387 HB3 LYS 58 2HB LYS 58 -5.930 -6.062 -5.150 388 HG2 LYS 58 1HG LYS 58 -5.319 -8.628 -3.698 389 HG3 LYS 58 2HG LYS 58 -6.175 -7.250 -3.002 390 HD2 LYS 58 1HD LYS 58 -7.061 -8.792 -5.440 391 HD3 LYS 58 2HD LYS 58 -7.701 -9.017 -3.810 392 HE2 LYS 58 1HE LYS 58 -8.378 -6.622 -3.817 393 HE3 LYS 58 2HE LYS 58 -7.864 -6.524 -5.500 394 HZ1 LYS 58 1HZ LYS 58 -9.669 -7.630 -6.206 395 HZ2 LYS 58 2HZ LYS 58 -10.346 -7.121 -4.742 396 HZ3 LYS 58 3HZ LYS 58 -9.702 -8.679 -4.879 397 H LYS 59 H LYS 59 -5.988 -5.500 -7.015 398 HA LYS 59 HA LYS 59 -3.761 -4.677 -8.762 399 HB2 LYS 59 1HB LYS 59 -5.866 -5.427 -9.924 400 HB3 LYS 59 2HB LYS 59 -6.689 -4.060 -9.182 401 HG2 LYS 59 1HG LYS 59 -4.796 -2.663 -10.289 402 HG3 LYS 59 2HG LYS 59 -4.607 -4.084 -11.319 403 HD2 LYS 59 1HD LYS 59 -7.187 -3.886 -11.605 404 HD3 LYS 59 2HD LYS 59 -6.938 -2.226 -11.057 405 HE2 LYS 59 1HE LYS 59 -6.707 -1.920 -13.306 406 HE3 LYS 59 2HE LYS 59 -5.034 -2.290 -12.890 407 HZ1 LYS 59 1HZ LYS 59 -6.884 -4.447 -13.669 408 HZ2 LYS 59 2HZ LYS 59 -5.196 -4.407 -13.764 409 HZ3 LYS 59 3HZ LYS 59 -6.125 -3.507 -14.854 410 H ALA 60 H ALA 60 -2.770 -2.904 -8.087 411 HA ALA 60 HA ALA 60 -4.360 -0.832 -6.720 412 HB1 ALA 60 1HB ALA 60 -2.626 -0.410 -5.182 413 HB2 ALA 60 2HB ALA 60 -2.808 -2.164 -5.222 414 HB3 ALA 60 3HB ALA 60 -1.477 -1.396 -6.086 415 H ASN 61 H ASN 61 -3.417 1.351 -6.858 416 HA ASN 61 HA ASN 61 -2.001 1.730 -9.414 417 HB2 ASN 61 1HB ASN 61 -3.642 3.915 -8.206 418 HB3 ASN 61 2HB ASN 61 -3.309 3.571 -9.901 419 HD21 ASN 61 1HD2 ASN 61 -4.023 0.904 -10.014 420 HD22 ASN 61 2HD2 ASN 61 -5.728 0.767 -9.766 421 H ILE 62 H ILE 62 -0.481 3.448 -9.555 422 HA ILE 62 HA ILE 62 0.441 4.542 -6.990 423 HB ILE 62 HB ILE 62 2.232 3.283 -9.071 424 HG12 ILE 62 1HG1 ILE 62 2.135 2.425 -6.214 425 HG13 ILE 62 2HG1 ILE 62 0.837 1.903 -7.282 426 HG21 ILE 62 1HG2 ILE 62 3.961 3.737 -7.206 427 HG22 ILE 62 2HG2 ILE 62 3.478 5.064 -8.261 428 HG23 ILE 62 3HG2 ILE 62 2.796 4.934 -6.640 429 HD11 ILE 62 1HD1 ILE 62 3.264 1.433 -8.635 430 HD12 ILE 62 2HD1 ILE 62 3.451 0.833 -6.987 431 HD13 ILE 62 3HD1 ILE 62 2.121 0.255 -7.990 432 H ARG 63 H ARG 63 1.137 6.618 -7.055 433 HA ARG 63 HA ARG 63 1.360 7.894 -9.700 434 HB2 ARG 63 1HB ARG 63 -0.791 8.447 -8.580 435 HB3 ARG 63 2HB ARG 63 0.117 9.126 -7.236 436 HG2 ARG 63 1HG ARG 63 1.003 10.860 -8.614 437 HG3 ARG 63 2HG ARG 63 0.341 10.111 -10.068 438 HD2 ARG 63 1HD ARG 63 -1.461 10.916 -7.819 439 HD3 ARG 63 2HD ARG 63 -0.900 12.115 -8.983 440 HE ARG 63 HE ARG 63 -2.928 10.185 -9.394 441 HH11 ARG 63 1HH1 ARG 63 -0.289 11.778 -11.012 442 HH12 ARG 63 2HH1 ARG 63 -0.986 11.616 -12.589 443 HH21 ARG 63 1HH2 ARG 63 -3.857 9.967 -11.466 444 HH22 ARG 63 2HH2 ARG 63 -3.017 10.587 -12.847 445 H ASP 64 H ASP 64 2.965 9.394 -9.961 446 HA ASP 64 HA ASP 64 4.911 9.564 -7.768 447 HB2 ASP 64 1HB ASP 64 5.244 10.042 -10.737 448 HB3 ASP 64 2HB ASP 64 6.524 10.225 -9.540 449 H ASN 65 H ASN 65 4.845 11.358 -6.601 450 HA ASN 65 HA ASN 65 3.581 13.751 -7.581 451 HB2 ASN 65 1HB ASN 65 4.810 12.910 -4.978 452 HB3 ASN 65 2HB ASN 65 4.477 14.614 -5.275 453 HD21 ASN 65 1HD2 ASN 65 3.228 11.695 -4.217 454 HD22 ASN 65 2HD2 ASN 65 1.556 12.128 -4.176 455 H GLY 66 H GLY 66 6.872 12.713 -6.808 456 HA2 GLY 66 1HA GLY 66 8.821 13.487 -7.859 457 HA3 GLY 66 2HA GLY 66 7.905 14.835 -8.515 458 H ASP 67 H ASP 67 6.867 15.118 -5.593 459 HA ASP 67 HA ASP 67 8.967 16.981 -4.815 460 HB2 ASP 67 1HB ASP 67 6.699 17.836 -4.797 461 HB3 ASP 67 2HB ASP 67 6.179 16.530 -3.736 462 H GLY 68 H GLY 68 9.351 14.078 -4.555 463 HA2 GLY 68 1HA GLY 68 10.577 12.828 -3.030 464 HA3 GLY 68 2HA GLY 68 10.326 14.093 -1.836 465 H THR 69 H THR 69 7.610 12.761 -3.529 466 HA THR 69 HA THR 69 7.003 10.860 -1.420 467 HB THR 69 HB THR 69 4.980 11.822 -0.681 468 HG1 THR 69 1HG THR 69 5.290 13.566 -2.899 469 HG21 THR 69 1HG2 THR 69 6.821 14.194 -0.968 470 HG22 THR 69 2HG2 THR 69 7.085 12.889 0.188 471 HG23 THR 69 3HG2 THR 69 5.640 13.892 0.306 472 H TYR 70 H TYR 70 4.664 9.963 -1.864 473 HA TYR 70 HA TYR 70 3.980 9.922 -4.685 474 HB2 TYR 70 1HB TYR 70 4.730 7.364 -3.258 475 HB3 TYR 70 2HB TYR 70 4.186 7.515 -4.925 476 HD1 TYR 70 1HD TYR 70 6.916 8.624 -2.639 477 HD2 TYR 70 2HD TYR 70 5.752 7.721 -6.631 478 HE1 TYR 70 1HE TYR 70 9.250 8.877 -3.371 479 HE2 TYR 70 2HE TYR 70 8.084 7.970 -7.373 480 HH TYR 70 HH TYR 70 10.319 9.513 -5.925 481 H THR 71 H THR 71 1.991 8.665 -5.096 482 HA THR 71 HA THR 71 0.308 8.400 -2.695 483 HB THR 71 HB THR 71 -0.573 9.620 -5.319 484 HG1 THR 71 1HG THR 71 -0.568 10.991 -2.863 485 HG21 THR 71 1HG2 THR 71 -2.696 9.964 -4.317 486 HG22 THR 71 2HG2 THR 71 -2.103 9.482 -2.727 487 HG23 THR 71 3HG2 THR 71 -2.276 8.280 -4.006 488 H VAL 72 H VAL 72 -1.036 6.666 -2.637 489 HA VAL 72 HA VAL 72 -1.256 5.010 -5.057 490 HB VAL 72 HB VAL 72 -0.690 3.961 -2.281 491 HG11 VAL 72 1HG1 VAL 72 -1.955 2.738 -4.501 492 HG12 VAL 72 2HG1 VAL 72 -0.357 2.011 -4.324 493 HG13 VAL 72 3HG1 VAL 72 -1.485 2.007 -2.967 494 HG21 VAL 72 1HG2 VAL 72 1.136 5.048 -3.926 495 HG22 VAL 72 2HG2 VAL 72 1.489 3.708 -2.835 496 HG23 VAL 72 3HG2 VAL 72 1.132 3.392 -4.533 497 H SER 73 H SER 73 -3.198 4.006 -5.372 498 HA SER 73 HA SER 73 -5.244 4.328 -3.283 499 HB2 SER 73 1HB SER 73 -6.867 5.090 -4.860 500 HB3 SER 73 2HB SER 73 -5.424 6.069 -5.122 501 HG SER 73 HG SER 73 -4.915 4.725 -6.888 502 H TYR 74 H TYR 74 -6.770 2.706 -3.139 503 HA TYR 74 HA TYR 74 -6.864 0.581 -5.090 504 HB2 TYR 74 1HB TYR 74 -6.169 -1.201 -3.619 505 HB3 TYR 74 2HB TYR 74 -4.884 0.000 -3.687 506 HD1 TYR 74 1HD TYR 74 -4.656 1.632 -1.765 507 HD2 TYR 74 2HD TYR 74 -7.147 -1.811 -1.567 508 HE1 TYR 74 1HE TYR 74 -4.669 1.790 0.689 509 HE2 TYR 74 2HE TYR 74 -7.168 -1.662 0.888 510 HH TYR 74 HH TYR 74 -5.368 -0.530 2.677 511 H LEU 75 H LEU 75 -8.513 -1.043 -4.554 512 HA LEU 75 HA LEU 75 -10.522 -0.027 -2.656 513 HB2 LEU 75 1HB LEU 75 -11.266 0.532 -4.867 514 HB3 LEU 75 2HB LEU 75 -10.954 -1.107 -5.434 515 HG LEU 75 HG LEU 75 -12.753 -1.694 -3.574 516 HD11 LEU 75 1HD1 LEU 75 -14.229 -0.068 -3.004 517 HD12 LEU 75 2HD1 LEU 75 -13.968 0.849 -4.487 518 HD13 LEU 75 3HD1 LEU 75 -12.787 0.933 -3.180 519 HD21 LEU 75 1HD2 LEU 75 -13.938 -0.550 -6.035 520 HD22 LEU 75 2HD2 LEU 75 -14.154 -2.140 -5.303 521 HD23 LEU 75 3HD2 LEU 75 -12.699 -1.789 -6.238 522 HA PRO 76 HA PRO 76 -9.695 -4.293 -1.336 523 HB2 PRO 76 1HB PRO 76 -10.578 -3.895 1.201 524 HB3 PRO 76 2HB PRO 76 -8.952 -3.449 0.668 525 HG2 PRO 76 1HG PRO 76 -11.378 -1.725 0.992 526 HG3 PRO 76 2HG PRO 76 -9.699 -1.392 1.454 527 HD2 PRO 76 1HD PRO 76 -10.816 -0.387 -0.798 528 HD3 PRO 76 2HD PRO 76 -9.093 -0.801 -0.689 529 H ASP 77 H ASP 77 -11.348 -5.175 -2.644 530 HA ASP 77 HA ASP 77 -14.115 -4.853 -2.027 531 HB2 ASP 77 1HB ASP 77 -14.493 -6.586 -3.700 532 HB3 ASP 77 2HB ASP 77 -13.316 -5.417 -4.294 533 H MET 78 H MET 78 -11.772 -7.476 -1.507 534 HA MET 78 HA MET 78 -13.698 -8.969 0.068 535 HB2 MET 78 1HB MET 78 -10.810 -9.531 -0.623 536 HB3 MET 78 2HB MET 78 -11.849 -10.622 0.284 537 HG2 MET 78 1HG MET 78 -12.569 -9.669 -2.464 538 HG3 MET 78 2HG MET 78 -11.536 -11.072 -2.199 539 HE1 MET 78 1HE MET 78 -13.740 -13.467 -2.885 540 HE2 MET 78 2HE MET 78 -14.719 -12.199 -3.624 541 HE3 MET 78 3HE MET 78 -12.958 -12.109 -3.695 542 H SER 79 H SER 79 -14.068 -7.808 1.924 543 HA SER 79 HA SER 79 -12.266 -6.413 3.472 544 HB2 SER 79 1HB SER 79 -13.834 -6.748 5.350 545 HB3 SER 79 2HB SER 79 -14.685 -6.344 3.859 546 HG SER 79 HG SER 79 -15.783 -8.081 4.325 547 H GLY 80 H GLY 80 -11.133 -6.907 5.414 548 HA2 GLY 80 1HA GLY 80 -10.667 -8.894 6.968 549 HA3 GLY 80 2HA GLY 80 -10.196 -9.700 5.479 550 H ARG 81 H ARG 81 -8.176 -9.937 6.808 551 HA ARG 81 HA ARG 81 -6.547 -7.595 7.167 552 HB2 ARG 81 1HB ARG 81 -6.540 -9.869 8.482 553 HB3 ARG 81 2HB ARG 81 -5.439 -10.374 7.207 554 HG2 ARG 81 1HG ARG 81 -3.984 -9.625 8.816 555 HG3 ARG 81 2HG ARG 81 -4.166 -8.189 7.806 556 HD2 ARG 81 1HD ARG 81 -4.488 -7.246 9.856 557 HD3 ARG 81 2HD ARG 81 -6.149 -7.703 9.485 558 HE ARG 81 HE ARG 81 -5.287 -9.868 10.782 559 HH11 ARG 81 1HH1 ARG 81 -4.977 -6.481 11.525 560 HH12 ARG 81 2HH1 ARG 81 -4.959 -6.725 13.240 561 HH21 ARG 81 1HH2 ARG 81 -5.264 -10.202 13.038 562 HH22 ARG 81 2HH2 ARG 81 -5.121 -8.842 14.100 563 H TYR 82 H TYR 82 -5.754 -6.585 5.438 564 HA TYR 82 HA TYR 82 -4.973 -8.124 3.082 565 HB2 TYR 82 1HB TYR 82 -5.574 -5.246 3.618 566 HB3 TYR 82 2HB TYR 82 -4.543 -5.653 2.251 567 HD1 TYR 82 1HD TYR 82 -5.436 -6.882 0.340 568 HD2 TYR 82 2HD TYR 82 -7.928 -5.804 3.616 569 HE1 TYR 82 1HE TYR 82 -7.426 -7.358 -1.025 570 HE2 TYR 82 2HE TYR 82 -9.925 -6.278 2.261 571 HH TYR 82 HH TYR 82 -10.292 -6.286 -0.533 572 H THR 83 H THR 83 -2.914 -8.219 2.285 573 HA THR 83 HA THR 83 -0.799 -7.274 4.097 574 HB THR 83 HB THR 83 -0.527 -9.388 1.958 575 HG1 THR 83 1HG THR 83 -1.999 -10.138 3.500 576 HG21 THR 83 1HG2 THR 83 1.440 -8.040 3.191 577 HG22 THR 83 2HG2 THR 83 1.588 -9.731 2.712 578 HG23 THR 83 3HG2 THR 83 1.177 -9.318 4.376 579 H ILE 84 H ILE 84 -0.119 -5.327 3.419 580 HA ILE 84 HA ILE 84 0.199 -4.821 0.557 581 HB ILE 84 HB ILE 84 0.542 -2.909 2.870 582 HG12 ILE 84 1HG1 ILE 84 -1.793 -3.184 0.967 583 HG13 ILE 84 2HG1 ILE 84 -1.776 -3.819 2.609 584 HG21 ILE 84 1HG2 ILE 84 0.011 -1.357 0.748 585 HG22 ILE 84 2HG2 ILE 84 1.646 -1.792 1.245 586 HG23 ILE 84 3HG2 ILE 84 0.855 -2.680 -0.056 587 HD11 ILE 84 1HD1 ILE 84 -2.864 -1.835 2.912 588 HD12 ILE 84 2HD1 ILE 84 -1.199 -1.343 3.226 589 HD13 ILE 84 3HD1 ILE 84 -1.938 -1.007 1.660 590 H THR 85 H THR 85 2.093 -5.141 -0.384 591 HA THR 85 HA THR 85 4.525 -5.098 1.273 592 HB THR 85 HB THR 85 4.157 -6.397 -1.432 593 HG1 THR 85 1HG THR 85 4.383 -7.727 1.066 594 HG21 THR 85 1HG2 THR 85 6.264 -7.591 -0.744 595 HG22 THR 85 2HG2 THR 85 6.396 -6.440 0.587 596 HG23 THR 85 3HG2 THR 85 6.457 -5.871 -1.081 597 H ILE 86 H ILE 86 5.264 -3.042 1.179 598 HA ILE 86 HA ILE 86 5.414 -1.706 -1.424 599 HB ILE 86 HB ILE 86 5.971 -0.583 1.324 600 HG12 ILE 86 1HG1 ILE 86 3.556 -0.177 -0.452 601 HG13 ILE 86 2HG1 ILE 86 3.597 -1.260 0.936 602 HG21 ILE 86 1HG2 ILE 86 7.183 0.644 -0.333 603 HG22 ILE 86 2HG2 ILE 86 5.771 0.716 -1.386 604 HG23 ILE 86 3HG2 ILE 86 5.781 1.604 0.138 605 HD11 ILE 86 1HD1 ILE 86 4.500 1.284 1.790 606 HD12 ILE 86 2HD1 ILE 86 3.013 1.505 0.866 607 HD13 ILE 86 3HD1 ILE 86 3.037 0.417 2.254 608 H LYS 87 H LYS 87 7.224 -1.907 -2.548 609 HA LYS 87 HA LYS 87 9.773 -2.144 -1.086 610 HB2 LYS 87 1HB LYS 87 8.897 -3.450 -3.661 611 HB3 LYS 87 2HB LYS 87 10.579 -3.380 -3.153 612 HG2 LYS 87 1HG LYS 87 9.954 -4.581 -1.079 613 HG3 LYS 87 2HG LYS 87 8.313 -4.739 -1.710 614 HD2 LYS 87 1HD LYS 87 9.003 -6.146 -3.457 615 HD3 LYS 87 2HD LYS 87 10.700 -5.702 -3.259 616 HE2 LYS 87 1HE LYS 87 10.780 -6.864 -1.131 617 HE3 LYS 87 2HE LYS 87 9.062 -7.241 -1.245 618 HZ1 LYS 87 1HZ LYS 87 9.433 -8.900 -2.695 619 HZ2 LYS 87 2HZ LYS 87 10.987 -8.898 -2.028 620 HZ3 LYS 87 3HZ LYS 87 10.693 -8.097 -3.488 621 H TYR 88 H TYR 88 11.480 -0.904 -1.751 622 HA TYR 88 HA TYR 88 10.901 1.062 -3.870 623 HB2 TYR 88 1HB TYR 88 11.155 1.825 -1.403 624 HB3 TYR 88 2HB TYR 88 12.874 1.540 -1.653 625 HD1 TYR 88 1HD TYR 88 9.973 3.496 -2.880 626 HD2 TYR 88 2HD TYR 88 14.209 3.117 -2.791 627 HE1 TYR 88 1HE TYR 88 10.187 5.728 -3.891 628 HE2 TYR 88 2HE TYR 88 14.436 5.349 -3.800 629 HH TYR 88 HH TYR 88 13.113 6.894 -5.165 630 H GLY 89 H GLY 89 12.170 1.015 -5.602 631 HA2 GLY 89 1HA GLY 89 13.805 0.202 -7.028 632 HA3 GLY 89 2HA GLY 89 14.858 0.932 -5.825 633 H GLY 90 H GLY 90 12.798 -1.839 -5.191 634 HA2 GLY 90 1HA GLY 90 13.361 -4.110 -5.081 635 HA3 GLY 90 2HA GLY 90 15.021 -3.694 -5.480 636 H ASP 91 H ASP 91 13.326 -2.027 -2.941 637 HA ASP 91 HA ASP 91 14.718 -3.627 -0.912 638 HB2 ASP 91 1HB ASP 91 16.029 -1.546 -1.494 639 HB3 ASP 91 2HB ASP 91 14.678 -0.607 -0.864 640 H GLU 92 H GLU 92 13.036 -4.497 0.140 641 HA GLU 92 HA GLU 92 10.509 -3.279 0.441 642 HB2 GLU 92 1HB GLU 92 11.135 -5.767 0.617 643 HB3 GLU 92 2HB GLU 92 11.589 -5.405 2.277 644 HG2 GLU 92 1HG GLU 92 9.235 -4.448 2.523 645 HG3 GLU 92 2HG GLU 92 8.878 -5.280 1.010 646 H ILE 93 H ILE 93 9.700 -1.938 1.938 647 HA ILE 93 HA ILE 93 11.417 -0.510 3.662 648 HB ILE 93 HB ILE 93 9.374 0.525 4.565 649 HG12 ILE 93 1HG1 ILE 93 7.915 -1.429 2.772 650 HG13 ILE 93 2HG1 ILE 93 7.959 -1.507 4.530 651 HG21 ILE 93 1HG2 ILE 93 9.285 0.244 1.565 652 HG22 ILE 93 2HG2 ILE 93 8.642 1.578 2.520 653 HG23 ILE 93 3HG2 ILE 93 10.382 1.303 2.450 654 HD11 ILE 93 1HD1 ILE 93 6.659 0.575 2.804 655 HD12 ILE 93 2HD1 ILE 93 5.897 -0.533 3.945 656 HD13 ILE 93 3HD1 ILE 93 6.912 0.781 4.537 657 HA PRO 94 HA PRO 94 11.509 -2.956 7.312 658 HB2 PRO 94 1HB PRO 94 11.799 -1.014 9.187 659 HB3 PRO 94 2HB PRO 94 13.100 -1.492 8.090 660 HG2 PRO 94 1HG PRO 94 11.231 0.839 7.911 661 HG3 PRO 94 2HG PRO 94 12.977 0.780 7.609 662 HD2 PRO 94 1HD PRO 94 11.151 0.754 5.609 663 HD3 PRO 94 2HD PRO 94 12.709 -0.090 5.491 664 H TYR 95 H TYR 95 8.913 -1.121 6.458 665 HA TYR 95 HA TYR 95 7.452 -1.675 8.951 666 HB2 TYR 95 1HB TYR 95 6.726 0.226 6.712 667 HB3 TYR 95 2HB TYR 95 5.833 0.007 8.214 668 HD1 TYR 95 1HD TYR 95 9.038 1.205 6.796 669 HD2 TYR 95 2HD TYR 95 6.465 1.154 10.184 670 HE1 TYR 95 1HE TYR 95 10.409 2.950 7.857 671 HE2 TYR 95 2HE TYR 95 7.828 2.900 11.253 672 HH TYR 95 HH TYR 95 10.665 3.595 10.731 673 H SER 96 H SER 96 7.936 -2.841 5.876 674 HA SER 96 HA SER 96 5.213 -3.898 5.610 675 HB2 SER 96 1HB SER 96 5.713 -3.184 3.498 676 HB3 SER 96 2HB SER 96 7.450 -3.386 3.726 677 HG SER 96 HG SER 96 7.254 -5.209 2.723 678 HA PRO 97 HA PRO 97 4.465 -5.592 4.113 679 HB2 PRO 97 1HB PRO 97 2.741 -7.483 5.021 680 HB3 PRO 97 2HB PRO 97 3.980 -7.817 3.806 681 HG2 PRO 97 1HG PRO 97 4.015 -8.367 6.748 682 HG3 PRO 97 2HG PRO 97 4.548 -9.401 5.410 683 HD2 PRO 97 1HD PRO 97 6.278 -7.966 6.920 684 HD3 PRO 97 2HD PRO 97 6.566 -8.307 5.202 685 H PHE 98 H PHE 98 2.731 -4.295 4.509 686 HA PHE 98 HA PHE 98 2.364 -3.384 7.233 687 HB2 PHE 98 1HB PHE 98 1.637 -2.399 4.529 688 HB3 PHE 98 2HB PHE 98 0.577 -1.925 5.852 689 HD1 PHE 98 2HD PHE 98 2.114 -1.279 8.060 690 HD2 PHE 98 1HD PHE 98 3.162 -0.799 3.963 691 HE1 PHE 98 2HE PHE 98 3.684 0.513 8.675 692 HE2 PHE 98 1HE PHE 98 4.735 0.993 4.572 693 HZ PHE 98 HZ PHE 98 4.996 1.652 6.930 694 H ARG 99 H ARG 99 1.002 -4.396 8.542 695 HA ARG 99 HA ARG 99 -1.114 -6.064 7.535 696 HB2 ARG 99 1HB ARG 99 -1.617 -6.154 10.112 697 HB3 ARG 99 2HB ARG 99 -0.221 -6.990 9.445 698 HG2 ARG 99 1HG ARG 99 1.277 -5.468 10.319 699 HG3 ARG 99 2HG ARG 99 0.062 -4.195 10.454 700 HD2 ARG 99 1HD ARG 99 -1.055 -5.790 12.165 701 HD3 ARG 99 2HD ARG 99 0.528 -6.564 12.223 702 HE ARG 99 HE ARG 99 0.916 -3.830 12.570 703 HH11 ARG 99 1HH1 ARG 99 -0.613 -6.485 14.223 704 HH12 ARG 99 2HH1 ARG 99 -0.380 -5.807 15.800 705 HH21 ARG 99 1HH2 ARG 99 1.229 -2.927 14.641 706 HH22 ARG 99 2HH2 ARG 99 0.666 -3.783 16.037 707 H ILE 100 H ILE 100 -2.790 -4.996 6.648 708 HA ILE 100 HA ILE 100 -4.044 -2.860 8.246 709 HB ILE 100 HB ILE 100 -4.307 -3.224 5.263 710 HG12 ILE 100 1HG1 ILE 100 -1.975 -2.676 5.916 711 HG13 ILE 100 2HG1 ILE 100 -2.744 -1.383 5.003 712 HG21 ILE 100 1HG2 ILE 100 -5.031 -0.772 5.509 713 HG22 ILE 100 2HG2 ILE 100 -6.163 -2.027 6.009 714 HG23 ILE 100 3HG2 ILE 100 -5.229 -1.149 7.220 715 HD11 ILE 100 1HD1 ILE 100 -2.886 -1.254 7.959 716 HD12 ILE 100 2HD1 ILE 100 -1.337 -0.920 7.185 717 HD13 ILE 100 3HD1 ILE 100 -2.756 0.041 6.769 718 H HIS 101 H HIS 101 -5.875 -3.464 9.174 719 HA HIS 101 HA HIS 101 -7.363 -5.737 8.114 720 HB2 HIS 101 1HB HIS 101 -6.734 -5.239 10.631 721 HB3 HIS 101 2HB HIS 101 -8.198 -4.262 10.577 722 HD1 HIS 101 1HD HIS 101 -7.242 -7.424 11.643 723 HD2 HIS 101 2HD HIS 101 -10.358 -6.084 9.243 724 HE1 HIS 101 1HE HIS 101 -8.977 -9.243 11.715 725 HE2 HIS 101 2HE HIS 101 -10.815 -8.447 10.188 726 H ALA 102 H ALA 102 -9.236 -5.573 7.053 727 HA ALA 102 HA ALA 102 -10.426 -2.898 6.781 728 HB1 ALA 102 1HB ALA 102 -9.915 -5.063 4.919 729 HB2 ALA 102 2HB ALA 102 -11.586 -4.501 4.852 730 HB3 ALA 102 3HB ALA 102 -10.262 -3.361 4.609 731 H LEU 103 H LEU 103 -12.573 -2.541 7.177 732 HA LEU 103 HA LEU 103 -14.090 -4.801 8.308 733 HB2 LEU 103 1HB LEU 103 -14.522 -1.949 9.117 734 HB3 LEU 103 2HB LEU 103 -15.003 -3.421 9.958 735 HG LEU 103 HG LEU 103 -12.129 -2.580 9.649 736 HD11 LEU 103 1HD1 LEU 103 -13.553 -0.879 10.854 737 HD12 LEU 103 2HD1 LEU 103 -12.203 -1.548 11.770 738 HD13 LEU 103 3HD1 LEU 103 -13.844 -2.119 12.075 739 HD21 LEU 103 1HD2 LEU 103 -11.623 -4.406 10.832 740 HD22 LEU 103 2HD2 LEU 103 -13.242 -4.969 10.419 741 HD23 LEU 103 3HD2 LEU 103 -12.957 -4.155 11.958 742 HA PRO 104 HA PRO 104 -17.149 -3.979 5.249 743 HB2 PRO 104 1HB PRO 104 -19.281 -5.142 6.463 744 HB3 PRO 104 2HB PRO 104 -17.970 -6.071 5.727 745 HG2 PRO 104 1HG PRO 104 -18.419 -5.381 8.605 746 HG3 PRO 104 2HG PRO 104 -17.904 -6.920 7.891 747 HD2 PRO 104 1HD PRO 104 -16.164 -5.191 9.038 748 HD3 PRO 104 2HD PRO 104 -15.716 -6.229 7.669 749 H THR 105 H THR 105 -17.731 -1.894 5.027 750 HA THR 105 HA THR 105 -19.034 -0.471 7.197 751 HB THR 105 HB THR 105 -17.322 0.687 5.862 752 HG1 THR 105 1HG THR 105 -19.293 1.762 6.782 753 HG21 THR 105 1HG2 THR 105 -19.212 0.048 3.626 754 HG22 THR 105 2HG2 THR 105 -17.460 -0.136 3.692 755 HG23 THR 105 3HG2 THR 105 -18.173 1.469 3.536 756 H GLY 106 H GLY 106 -21.125 0.296 7.187 757 HA2 GLY 106 1HA GLY 106 -22.902 -0.995 5.232 758 HA3 GLY 106 2HA GLY 106 -23.379 -0.412 6.820 759 H ASP 107 H ASP 107 -24.708 0.157 4.363 760 HA ASP 107 HA ASP 107 -25.616 1.888 3.197 761 HB2 ASP 107 1HB ASP 107 -24.662 3.441 5.612 762 HB3 ASP 107 2HB ASP 107 -25.784 4.055 4.401 763 H ALA 108 H ALA 108 -23.097 1.182 2.338 764 HA ALA 108 HA ALA 108 -21.686 3.709 1.864 765 HB1 ALA 108 1HB ALA 108 -20.694 1.011 1.014 766 HB2 ALA 108 2HB ALA 108 -19.774 2.476 1.360 767 HB3 ALA 108 3HB ALA 108 -20.517 1.571 2.678 768 H SER 109 H SER 109 -21.851 4.735 -0.018 769 HA SER 109 HA SER 109 -23.315 3.459 -2.193 770 HB2 SER 109 1HB SER 109 -22.645 6.280 -1.461 771 HB3 SER 109 2HB SER 109 -22.995 5.906 -3.149 772 HG SER 109 HG SER 109 -24.678 6.009 -0.979 773 H SER 110 H SER 110 -20.209 5.062 -1.608 774 HA SER 110 HA SER 110 -19.255 4.625 -4.272 775 HB2 SER 110 1HB SER 110 -17.687 5.325 -1.779 776 HB3 SER 110 2HB SER 110 -17.129 5.488 -3.444 777 HG SER 110 HG SER 110 -17.888 7.473 -2.654 778 H GLY 111 H GLY 111 -17.640 3.182 -4.955 779 HA2 GLY 111 1HA GLY 111 -16.043 1.428 -3.865 780 HA3 GLY 111 2HA GLY 111 -17.571 0.704 -3.386 781 HA PRO 112 HA PRO 112 -16.404 -1.210 -7.407 782 HB2 PRO 112 1HB PRO 112 -17.244 -3.697 -6.713 783 HB3 PRO 112 2HB PRO 112 -15.634 -3.081 -6.319 784 HG2 PRO 112 1HG PRO 112 -18.075 -3.243 -4.594 785 HG3 PRO 112 2HG PRO 112 -16.392 -3.628 -4.190 786 HD2 PRO 112 1HD PRO 112 -17.564 -1.293 -3.477 787 HD3 PRO 112 2HD PRO 112 -15.834 -1.416 -3.857 788 H SER 113 H SER 113 -18.068 -0.056 -8.464 789 HA SER 113 HA SER 113 -20.739 -1.288 -8.331 790 HB2 SER 113 1HB SER 113 -19.995 1.457 -9.368 791 HB3 SER 113 2HB SER 113 -21.627 0.812 -9.192 792 HG SER 113 HG SER 113 -19.882 0.967 -6.983 793 H SER 114 H SER 114 -20.886 -2.796 -9.869 794 HA SER 114 HA SER 114 -20.728 -2.032 -12.625 795 HB2 SER 114 1HB SER 114 -18.329 -2.519 -12.064 796 HB3 SER 114 2HB SER 114 -18.806 -4.176 -11.692 797 HG SER 114 HG SER 114 -18.761 -2.846 -14.169 798 H GLY 115 H GLY 115 -21.341 -3.849 -14.079 799 HA2 GLY 115 1HA GLY 115 -22.988 -5.833 -12.633 800 HA3 GLY 115 2HA GLY 115 -23.555 -5.007 -14.077 Start of MODEL 11 1 H1 GLY 1 H GLY 1 30.545 -9.869 0.238 2 HA2 GLY 1 1HA GLY 1 29.816 -8.735 2.778 3 HA3 GLY 1 2HA GLY 1 30.994 -7.762 1.909 4 H SER 2 H SER 2 30.402 -7.132 -0.330 5 HA SER 2 HA SER 2 27.697 -6.126 -0.340 6 HB2 SER 2 1HB SER 2 30.141 -5.689 -2.012 7 HB3 SER 2 2HB SER 2 28.568 -5.229 -2.663 8 HG SER 2 HG SER 2 30.069 -3.885 -0.958 9 H SER 3 H SER 3 26.245 -7.723 -0.738 10 HA SER 3 HA SER 3 26.631 -9.348 -3.161 11 HB2 SER 3 1HB SER 3 25.006 -10.912 -2.190 12 HB3 SER 3 2HB SER 3 26.348 -10.635 -1.080 13 HG SER 3 HG SER 3 23.797 -10.335 -0.580 14 H GLY 4 H GLY 4 25.140 -9.339 -4.783 15 HA2 GLY 4 1HA GLY 4 22.873 -8.958 -5.562 16 HA3 GLY 4 2HA GLY 4 22.761 -7.633 -4.413 17 H SER 5 H SER 5 22.211 -6.082 -5.918 18 HA SER 5 HA SER 5 24.177 -5.539 -8.036 19 HB2 SER 5 1HB SER 5 22.453 -4.351 -9.207 20 HB3 SER 5 2HB SER 5 21.758 -5.881 -8.673 21 HG SER 5 HG SER 5 20.845 -4.733 -6.899 22 H SER 6 H SER 6 24.363 -3.131 -8.570 23 HA SER 6 HA SER 6 25.127 -1.770 -6.125 24 HB2 SER 6 1HB SER 6 26.242 -0.173 -7.586 25 HB3 SER 6 2HB SER 6 26.645 -1.814 -8.091 26 HG SER 6 HG SER 6 25.911 -1.256 -9.968 27 H GLY 7 H GLY 7 24.107 -0.079 -5.221 28 HA2 GLY 7 1HA GLY 7 22.429 1.727 -6.614 29 HA3 GLY 7 2HA GLY 7 21.450 0.516 -5.800 30 H ALA 8 H ALA 8 21.615 3.395 -5.320 31 HA ALA 8 HA ALA 8 22.493 3.318 -2.507 32 HB1 ALA 8 1HB ALA 8 22.367 5.988 -3.644 33 HB2 ALA 8 2HB ALA 8 23.662 5.202 -2.740 34 HB3 ALA 8 3HB ALA 8 23.522 4.948 -4.479 35 H HIS 9 H HIS 9 20.300 2.586 -2.062 36 HA HIS 9 HA HIS 9 18.479 4.863 -1.783 37 HB2 HIS 9 1HB HIS 9 16.561 3.326 -2.376 38 HB3 HIS 9 2HB HIS 9 17.601 3.785 -3.721 39 HD1 HIS 9 1HD HIS 9 19.139 1.928 -4.715 40 HD2 HIS 9 2HD HIS 9 16.535 0.617 -1.755 41 HE1 HIS 9 1HE HIS 9 19.157 -0.582 -4.868 42 HE2 HIS 9 2HE HIS 9 17.509 -1.349 -3.124 43 H ASP 10 H ASP 10 17.149 4.795 0.022 44 HA ASP 10 HA ASP 10 17.552 2.524 1.851 45 HB2 ASP 10 1HB ASP 10 17.964 5.438 2.335 46 HB3 ASP 10 2HB ASP 10 17.301 4.468 3.647 47 H ALA 11 H ALA 11 15.562 1.612 1.495 48 HA ALA 11 HA ALA 11 13.128 2.932 1.223 49 HB1 ALA 11 1HB ALA 11 13.482 0.227 2.497 50 HB2 ALA 11 2HB ALA 11 12.078 0.832 1.617 51 HB3 ALA 11 3HB ALA 11 13.584 0.511 0.759 52 H SER 12 H SER 12 14.901 2.007 4.107 53 HA SER 12 HA SER 12 12.932 2.253 6.038 54 HB2 SER 12 1HB SER 12 15.399 1.542 6.291 55 HB3 SER 12 2HB SER 12 15.735 3.262 6.487 56 HG SER 12 HG SER 12 15.349 2.655 8.512 57 H LYS 13 H LYS 13 14.225 4.653 4.011 58 HA LYS 13 HA LYS 13 13.484 6.846 5.788 59 HB2 LYS 13 1HB LYS 13 14.688 6.902 3.014 60 HB3 LYS 13 2HB LYS 13 14.445 8.299 4.054 61 HG2 LYS 13 1HG LYS 13 16.052 6.034 5.106 62 HG3 LYS 13 2HG LYS 13 16.775 7.084 3.885 63 HD2 LYS 13 1HD LYS 13 16.203 9.039 5.311 64 HD3 LYS 13 2HD LYS 13 15.635 7.919 6.552 65 HE2 LYS 13 1HE LYS 13 17.779 8.273 7.271 66 HE3 LYS 13 2HE LYS 13 18.025 6.871 6.232 67 HZ1 LYS 13 1HZ LYS 13 19.685 8.533 5.781 68 HZ2 LYS 13 2HZ LYS 13 18.503 9.708 5.496 69 HZ3 LYS 13 3HZ LYS 13 18.663 8.397 4.440 70 H VAL 14 H VAL 14 11.579 4.926 4.397 71 HA VAL 14 HA VAL 14 10.018 6.881 2.851 72 HB VAL 14 HB VAL 14 9.823 3.869 2.948 73 HG11 VAL 14 1HG1 VAL 14 8.302 4.850 0.820 74 HG12 VAL 14 2HG1 VAL 14 7.708 4.091 2.298 75 HG13 VAL 14 3HG1 VAL 14 7.864 5.846 2.207 76 HG21 VAL 14 1HG2 VAL 14 11.088 3.816 1.106 77 HG22 VAL 14 2HG2 VAL 14 10.232 5.173 0.374 78 HG23 VAL 14 3HG2 VAL 14 11.543 5.470 1.516 79 H ARG 15 H ARG 15 8.340 7.806 3.809 80 HA ARG 15 HA ARG 15 7.297 6.667 6.286 81 HB2 ARG 15 1HB ARG 15 7.295 9.361 5.026 82 HB3 ARG 15 2HB ARG 15 5.938 8.959 6.070 83 HG2 ARG 15 1HG ARG 15 8.696 8.459 7.065 84 HG3 ARG 15 2HG ARG 15 8.093 10.117 7.016 85 HD2 ARG 15 1HD ARG 15 6.082 9.323 8.286 86 HD3 ARG 15 2HD ARG 15 6.894 7.770 8.475 87 HE ARG 15 HE ARG 15 8.726 9.443 9.454 88 HH11 ARG 15 1HH1 ARG 15 5.297 9.224 10.012 89 HH12 ARG 15 2HH1 ARG 15 5.390 9.829 11.633 90 HH21 ARG 15 1HH2 ARG 15 8.862 10.241 11.587 91 HH22 ARG 15 2HH2 ARG 15 7.418 10.408 12.527 92 H ALA 16 H ALA 16 5.346 5.747 6.471 93 HA ALA 16 HA ALA 16 3.558 5.847 4.128 94 HB1 ALA 16 1HB ALA 16 3.647 3.632 4.075 95 HB2 ALA 16 2HB ALA 16 4.680 3.611 5.505 96 HB3 ALA 16 3HB ALA 16 2.926 3.583 5.684 97 H SER 17 H SER 17 1.877 7.118 4.547 98 HA SER 17 HA SER 17 0.399 6.716 7.038 99 HB2 SER 17 1HB SER 17 0.217 9.083 7.491 100 HB3 SER 17 2HB SER 17 1.928 8.675 7.354 101 HG SER 17 HG SER 17 1.657 10.470 6.126 102 H GLY 18 H GLY 18 -1.743 7.980 6.932 103 HA2 GLY 18 1HA GLY 18 -3.352 9.004 5.356 104 HA3 GLY 18 2HA GLY 18 -2.772 7.851 4.164 105 HA PRO 19 HA PRO 19 -6.596 6.217 6.345 106 HB2 PRO 19 1HB PRO 19 -8.120 5.969 4.112 107 HB3 PRO 19 2HB PRO 19 -8.064 7.449 5.077 108 HG2 PRO 19 1HG PRO 19 -6.627 6.790 2.535 109 HG3 PRO 19 2HG PRO 19 -7.441 8.294 3.002 110 HD2 PRO 19 1HD PRO 19 -4.754 7.988 3.140 111 HD3 PRO 19 2HD PRO 19 -5.658 9.011 4.275 112 H GLY 20 H GLY 20 -5.324 5.346 3.128 113 HA2 GLY 20 1HA GLY 20 -6.149 2.691 3.064 114 HA3 GLY 20 2HA GLY 20 -4.727 3.315 2.240 115 H LEU 21 H LEU 21 -3.593 4.150 4.900 116 HA LEU 21 HA LEU 21 -2.599 1.490 5.665 117 HB2 LEU 21 1HB LEU 21 -1.319 4.186 6.084 118 HB3 LEU 21 2HB LEU 21 -0.608 2.623 6.478 119 HG LEU 21 HG LEU 21 -1.322 3.439 3.669 120 HD11 LEU 21 1HD1 LEU 21 0.938 4.232 5.348 121 HD12 LEU 21 2HD1 LEU 21 0.338 4.929 3.843 122 HD13 LEU 21 3HD1 LEU 21 1.399 3.521 3.801 123 HD21 LEU 21 1HD2 LEU 21 -0.955 0.985 4.453 124 HD22 LEU 21 2HD2 LEU 21 0.748 1.442 4.482 125 HD23 LEU 21 3HD2 LEU 21 -0.172 1.560 2.981 126 H ASN 22 H ASN 22 -5.063 2.655 6.676 127 HA ASN 22 HA ASN 22 -4.641 3.695 9.288 128 HB2 ASN 22 1HB ASN 22 -6.742 3.902 7.838 129 HB3 ASN 22 2HB ASN 22 -7.134 2.269 8.370 130 HD21 ASN 22 1HD2 ASN 22 -8.502 2.223 9.983 131 HD22 ASN 22 2HD2 ASN 22 -8.629 3.387 11.254 132 H ALA 23 H ALA 23 -3.959 2.639 11.021 133 HA ALA 23 HA ALA 23 -3.784 -0.235 11.042 134 HB1 ALA 23 1HB ALA 23 -2.165 0.089 12.535 135 HB2 ALA 23 2HB ALA 23 -2.368 1.817 12.244 136 HB3 ALA 23 3HB ALA 23 -3.218 1.043 13.581 137 H SER 24 H SER 24 -5.965 2.156 12.244 138 HA SER 24 HA SER 24 -7.132 0.537 14.300 139 HB2 SER 24 1HB SER 24 -7.786 3.165 13.026 140 HB3 SER 24 2HB SER 24 -9.024 2.348 13.980 141 HG SER 24 HG SER 24 -6.430 3.112 14.844 142 H GLY 25 H GLY 25 -7.509 0.818 10.892 143 HA2 GLY 25 1HA GLY 25 -8.641 -1.180 9.909 144 HA3 GLY 25 2HA GLY 25 -9.948 -0.846 11.036 145 H ILE 26 H ILE 26 -9.590 -0.875 7.974 146 HA ILE 26 HA ILE 26 -10.799 1.768 7.482 147 HB ILE 26 HB ILE 26 -10.074 1.554 5.145 148 HG12 ILE 26 1HG1 ILE 26 -8.283 -0.726 5.863 149 HG13 ILE 26 2HG1 ILE 26 -9.964 -1.074 5.477 150 HG21 ILE 26 1HG2 ILE 26 -7.891 2.246 5.501 151 HG22 ILE 26 2HG2 ILE 26 -8.647 2.530 7.068 152 HG23 ILE 26 3HG2 ILE 26 -7.638 1.105 6.822 153 HD11 ILE 26 1HD1 ILE 26 -9.396 -1.081 3.342 154 HD12 ILE 26 2HD1 ILE 26 -9.067 0.647 3.467 155 HD13 ILE 26 3HD1 ILE 26 -7.769 -0.518 3.725 156 HA PRO 27 HA PRO 27 -14.540 -0.245 6.339 157 HB2 PRO 27 1HB PRO 27 -15.570 1.632 4.670 158 HB3 PRO 27 2HB PRO 27 -15.514 1.834 6.425 159 HG2 PRO 27 1HG PRO 27 -13.673 2.928 4.334 160 HG3 PRO 27 2HG PRO 27 -14.348 3.733 5.762 161 HD2 PRO 27 1HD PRO 27 -11.824 2.757 5.698 162 HD3 PRO 27 2HD PRO 27 -12.797 2.791 7.182 163 H ALA 28 H ALA 28 -14.203 -2.030 5.110 164 HA ALA 28 HA ALA 28 -12.940 -2.120 2.614 165 HB1 ALA 28 1HB ALA 28 -15.012 -4.151 3.053 166 HB2 ALA 28 2HB ALA 28 -13.287 -4.335 2.731 167 HB3 ALA 28 3HB ALA 28 -13.846 -3.984 4.367 168 H SER 29 H SER 29 -14.047 -2.898 0.571 169 HA SER 29 HA SER 29 -15.458 -2.516 -1.173 170 HB2 SER 29 1HB SER 29 -17.154 -3.488 0.380 171 HB3 SER 29 2HB SER 29 -17.523 -1.857 0.940 172 HG SER 29 HG SER 29 -18.656 -1.535 -0.799 173 H LEU 30 H LEU 30 -13.781 -0.420 -0.244 174 HA LEU 30 HA LEU 30 -15.147 1.824 -1.467 175 HB2 LEU 30 1HB LEU 30 -15.721 2.114 0.869 176 HB3 LEU 30 2HB LEU 30 -14.025 1.970 1.327 177 HG LEU 30 HG LEU 30 -13.779 4.076 -0.248 178 HD11 LEU 30 1HD1 LEU 30 -15.627 5.421 -0.495 179 HD12 LEU 30 2HD1 LEU 30 -16.499 4.655 0.833 180 HD13 LEU 30 3HD1 LEU 30 -16.335 3.820 -0.712 181 HD21 LEU 30 1HD2 LEU 30 -15.003 4.848 2.305 182 HD22 LEU 30 2HD2 LEU 30 -13.398 5.195 1.661 183 HD23 LEU 30 3HD2 LEU 30 -13.722 3.642 2.432 184 HA PRO 31 HA PRO 31 -11.107 2.348 -3.154 185 HB2 PRO 31 1HB PRO 31 -11.414 4.857 -4.143 186 HB3 PRO 31 2HB PRO 31 -12.145 3.433 -4.892 187 HG2 PRO 31 1HG PRO 31 -13.381 5.456 -3.065 188 HG3 PRO 31 2HG PRO 31 -14.046 4.724 -4.536 189 HD2 PRO 31 1HD PRO 31 -14.740 3.893 -2.055 190 HD3 PRO 31 2HD PRO 31 -14.669 2.792 -3.445 191 H VAL 32 H VAL 32 -9.630 2.460 -1.515 192 HA VAL 32 HA VAL 32 -9.337 5.045 -0.132 193 HB VAL 32 HB VAL 32 -9.771 2.995 1.283 194 HG11 VAL 32 1HG1 VAL 32 -8.341 1.478 -0.075 195 HG12 VAL 32 2HG1 VAL 32 -6.924 2.312 0.565 196 HG13 VAL 32 3HG1 VAL 32 -7.994 1.427 1.653 197 HG21 VAL 32 1HG2 VAL 32 -8.774 5.067 2.161 198 HG22 VAL 32 2HG2 VAL 32 -8.164 3.632 2.987 199 HG23 VAL 32 3HG2 VAL 32 -7.170 4.442 1.777 200 H GLU 33 H GLU 33 -7.287 5.973 0.069 201 HA GLU 33 HA GLU 33 -5.073 4.731 -1.376 202 HB2 GLU 33 1HB GLU 33 -4.613 6.874 -2.573 203 HB3 GLU 33 2HB GLU 33 -6.085 6.067 -3.094 204 HG2 GLU 33 1HG GLU 33 -7.447 7.674 -2.217 205 HG3 GLU 33 2HG GLU 33 -6.287 8.136 -0.973 206 H PHE 34 H PHE 34 -3.132 5.113 -0.467 207 HA PHE 34 HA PHE 34 -3.084 6.903 1.860 208 HB2 PHE 34 1HB PHE 34 -0.939 5.585 2.381 209 HB3 PHE 34 2HB PHE 34 -2.474 4.740 2.554 210 HD1 PHE 34 1HD PHE 34 -3.243 3.275 0.616 211 HD2 PHE 34 2HD PHE 34 0.735 4.734 1.013 212 HE1 PHE 34 1HE PHE 34 -2.450 1.516 -0.912 213 HE2 PHE 34 2HE PHE 34 1.535 2.979 -0.515 214 HZ PHE 34 HZ PHE 34 -0.058 1.368 -1.480 215 H THR 35 H THR 35 -0.516 7.451 2.241 216 HA THR 35 HA THR 35 0.505 8.603 -0.262 217 HB THR 35 HB THR 35 0.244 10.107 2.349 218 HG1 THR 35 1HG THR 35 -1.618 10.634 1.502 219 HG21 THR 35 1HG2 THR 35 1.554 11.765 1.518 220 HG22 THR 35 2HG2 THR 35 1.058 11.468 -0.149 221 HG23 THR 35 3HG2 THR 35 2.265 10.431 0.611 222 H ILE 36 H ILE 36 2.572 8.114 -0.570 223 HA ILE 36 HA ILE 36 4.168 7.247 1.742 224 HB ILE 36 HB ILE 36 4.652 6.711 -1.191 225 HG12 ILE 36 1HG1 ILE 36 2.659 5.548 -0.342 226 HG13 ILE 36 2HG1 ILE 36 3.961 4.413 -0.686 227 HG21 ILE 36 1HG2 ILE 36 6.358 6.524 1.080 228 HG22 ILE 36 2HG2 ILE 36 6.014 4.896 0.497 229 HG23 ILE 36 3HG2 ILE 36 6.699 6.097 -0.597 230 HD11 ILE 36 1HD1 ILE 36 3.375 3.599 1.324 231 HD12 ILE 36 2HD1 ILE 36 4.439 4.879 1.909 232 HD13 ILE 36 3HD1 ILE 36 2.694 5.131 1.870 233 H ASP 37 H ASP 37 4.843 9.290 2.434 234 HA ASP 37 HA ASP 37 6.188 11.081 0.614 235 HB2 ASP 37 1HB ASP 37 4.880 12.024 2.433 236 HB3 ASP 37 2HB ASP 37 5.854 11.160 3.619 237 H ALA 38 H ALA 38 8.068 10.273 -0.150 238 HA ALA 38 HA ALA 38 10.122 9.582 1.843 239 HB1 ALA 38 1HB ALA 38 10.742 8.243 -0.565 240 HB2 ALA 38 2HB ALA 38 10.303 7.542 0.993 241 HB3 ALA 38 3HB ALA 38 9.051 7.903 -0.196 242 H ARG 39 H ARG 39 11.709 11.021 1.791 243 HA ARG 39 HA ARG 39 12.162 12.586 -0.633 244 HB2 ARG 39 1HB ARG 39 13.344 12.917 2.131 245 HB3 ARG 39 2HB ARG 39 13.516 14.041 0.790 246 HG2 ARG 39 1HG ARG 39 11.822 15.083 1.850 247 HG3 ARG 39 2HG ARG 39 10.850 13.941 0.919 248 HD2 ARG 39 1HD ARG 39 10.046 13.833 3.139 249 HD3 ARG 39 2HD ARG 39 11.015 12.380 2.896 250 HE ARG 39 HE ARG 39 12.487 13.135 4.482 251 HH11 ARG 39 1HH1 ARG 39 10.399 15.747 3.514 252 HH12 ARG 39 2HH1 ARG 39 10.951 16.822 4.755 253 HH21 ARG 39 1HH2 ARG 39 13.222 14.541 6.121 254 HH22 ARG 39 2HH2 ARG 39 12.558 16.135 6.237 255 H ASP 40 H ASP 40 14.162 10.883 1.784 256 HA ASP 40 HA ASP 40 16.254 10.574 -0.247 257 HB2 ASP 40 1HB ASP 40 16.237 10.498 2.751 258 HB3 ASP 40 2HB ASP 40 17.536 9.705 1.863 259 H ALA 41 H ALA 41 13.873 8.994 -0.403 260 HA ALA 41 HA ALA 41 14.250 6.407 0.682 261 HB1 ALA 41 1HB ALA 41 12.629 5.780 -1.232 262 HB2 ALA 41 2HB ALA 41 12.063 6.849 0.052 263 HB3 ALA 41 3HB ALA 41 12.541 7.520 -1.507 264 H GLY 42 H GLY 42 15.585 8.026 -2.062 265 HA2 GLY 42 1HA GLY 42 17.707 6.916 -2.818 266 HA3 GLY 42 2HA GLY 42 16.729 5.468 -3.001 267 H GLU 43 H GLU 43 18.095 6.170 -5.155 268 HA GLU 43 HA GLU 43 16.306 7.745 -6.863 269 HB2 GLU 43 1HB GLU 43 18.659 8.403 -6.888 270 HB3 GLU 43 2HB GLU 43 19.127 6.771 -7.343 271 HG2 GLU 43 1HG GLU 43 18.179 6.985 -9.486 272 HG3 GLU 43 2HG GLU 43 17.307 8.450 -9.037 273 H GLY 44 H GLY 44 14.784 5.872 -6.736 274 HA2 GLY 44 1HA GLY 44 15.281 4.115 -9.021 275 HA3 GLY 44 2HA GLY 44 14.940 3.346 -7.478 276 H LEU 45 H LEU 45 13.033 2.399 -8.197 277 HA LEU 45 HA LEU 45 10.814 4.289 -8.618 278 HB2 LEU 45 1HB LEU 45 9.818 2.880 -10.205 279 HB3 LEU 45 2HB LEU 45 11.520 2.968 -10.655 280 HG LEU 45 HG LEU 45 11.607 0.734 -9.206 281 HD11 LEU 45 1HD1 LEU 45 9.060 0.103 -10.488 282 HD12 LEU 45 2HD1 LEU 45 8.920 1.216 -9.128 283 HD13 LEU 45 3HD1 LEU 45 9.681 -0.359 -8.903 284 HD21 LEU 45 1HD2 LEU 45 10.510 0.515 -11.976 285 HD22 LEU 45 2HD2 LEU 45 11.800 -0.407 -11.203 286 HD23 LEU 45 3HD2 LEU 45 12.087 1.259 -11.708 287 H LEU 46 H LEU 46 9.137 4.087 -7.270 288 HA LEU 46 HA LEU 46 9.253 2.128 -5.166 289 HB2 LEU 46 1HB LEU 46 8.562 4.263 -4.488 290 HB3 LEU 46 2HB LEU 46 7.416 4.407 -5.818 291 HG LEU 46 HG LEU 46 6.274 2.368 -4.560 292 HD11 LEU 46 1HD1 LEU 46 8.156 3.528 -2.608 293 HD12 LEU 46 2HD1 LEU 46 7.460 1.910 -2.697 294 HD13 LEU 46 3HD1 LEU 46 6.513 3.241 -2.033 295 HD21 LEU 46 1HD2 LEU 46 4.784 4.029 -4.706 296 HD22 LEU 46 2HD2 LEU 46 6.005 5.275 -4.447 297 HD23 LEU 46 3HD2 LEU 46 5.289 4.440 -3.067 298 H THR 47 H THR 47 7.770 0.504 -4.726 299 HA THR 47 HA THR 47 5.836 -0.124 -6.852 300 HB THR 47 HB THR 47 6.389 -2.489 -6.730 301 HG1 THR 47 1HG THR 47 8.084 -3.207 -5.431 302 HG21 THR 47 1HG2 THR 47 8.977 -0.990 -7.087 303 HG22 THR 47 2HG2 THR 47 7.660 -0.911 -8.258 304 HG23 THR 47 3HG2 THR 47 8.442 -2.453 -7.912 305 H VAL 48 H VAL 48 3.891 -0.891 -6.183 306 HA VAL 48 HA VAL 48 3.565 -1.483 -3.317 307 HB VAL 48 HB VAL 48 1.690 0.184 -5.001 308 HG11 VAL 48 1HG1 VAL 48 0.665 -1.389 -3.282 309 HG12 VAL 48 2HG1 VAL 48 1.442 -0.380 -2.060 310 HG13 VAL 48 3HG1 VAL 48 0.246 0.319 -3.152 311 HG21 VAL 48 1HG2 VAL 48 2.719 1.346 -2.542 312 HG22 VAL 48 2HG2 VAL 48 3.994 0.969 -3.701 313 HG23 VAL 48 3HG2 VAL 48 2.657 2.019 -4.171 314 H GLN 49 H GLN 49 2.412 -3.264 -2.866 315 HA GLN 49 HA GLN 49 0.671 -4.400 -4.929 316 HB2 GLN 49 1HB GLN 49 2.835 -5.524 -5.167 317 HB3 GLN 49 2HB GLN 49 2.816 -5.943 -3.459 318 HG2 GLN 49 1HG GLN 49 1.129 -7.513 -3.732 319 HG3 GLN 49 2HG GLN 49 0.613 -6.832 -5.274 320 HE21 GLN 49 1HE2 GLN 49 2.452 -6.851 -6.958 321 HE22 GLN 49 2HE2 GLN 49 3.306 -8.346 -7.101 322 H ILE 50 H ILE 50 -1.129 -5.403 -4.163 323 HA ILE 50 HA ILE 50 -1.375 -5.681 -1.241 324 HB ILE 50 HB ILE 50 -3.597 -4.774 -3.070 325 HG12 ILE 50 1HG1 ILE 50 -2.102 -3.074 -1.074 326 HG13 ILE 50 2HG1 ILE 50 -1.667 -3.136 -2.778 327 HG21 ILE 50 1HG2 ILE 50 -4.529 -4.085 -0.757 328 HG22 ILE 50 2HG2 ILE 50 -4.611 -5.777 -1.244 329 HG23 ILE 50 3HG2 ILE 50 -3.357 -5.241 -0.125 330 HD11 ILE 50 1HD1 ILE 50 -3.571 -2.034 -3.440 331 HD12 ILE 50 2HD1 ILE 50 -4.469 -2.494 -1.993 332 HD13 ILE 50 3HD1 ILE 50 -3.217 -1.256 -1.898 333 H LEU 51 H LEU 51 -2.152 -7.574 -0.534 334 HA LEU 51 HA LEU 51 -3.262 -9.430 -2.536 335 HB2 LEU 51 1HB LEU 51 -1.748 -10.103 -0.018 336 HB3 LEU 51 2HB LEU 51 -2.359 -11.253 -1.206 337 HG LEU 51 HG LEU 51 -0.106 -9.281 -1.552 338 HD11 LEU 51 1HD1 LEU 51 0.892 -11.065 -0.562 339 HD12 LEU 51 2HD1 LEU 51 0.918 -11.633 -2.231 340 HD13 LEU 51 3HD1 LEU 51 -0.330 -12.206 -1.125 341 HD21 LEU 51 1HD2 LEU 51 -1.569 -9.450 -3.571 342 HD22 LEU 51 2HD2 LEU 51 -1.209 -11.176 -3.621 343 HD23 LEU 51 3HD2 LEU 51 0.089 -9.997 -3.822 344 H ASP 52 H ASP 52 -5.369 -9.715 -2.289 345 HA ASP 52 HA ASP 52 -7.022 -8.860 -0.328 346 HB2 ASP 52 1HB ASP 52 -8.328 -11.135 -0.955 347 HB3 ASP 52 2HB ASP 52 -8.279 -9.727 -2.012 348 HA PRO 53 HA PRO 53 -6.550 -11.189 3.356 349 HB2 PRO 53 1HB PRO 53 -9.109 -11.660 4.129 350 HB3 PRO 53 2HB PRO 53 -8.360 -10.062 4.211 351 HG2 PRO 53 1HG PRO 53 -10.204 -11.185 2.138 352 HG3 PRO 53 2HG PRO 53 -10.207 -9.576 2.883 353 HD2 PRO 53 1HD PRO 53 -9.173 -10.040 0.424 354 HD3 PRO 53 2HD PRO 53 -8.521 -8.802 1.516 355 H GLU 54 H GLU 54 -7.402 -12.650 0.591 356 HA GLU 54 HA GLU 54 -7.951 -15.256 1.841 357 HB2 GLU 54 1HB GLU 54 -8.475 -14.202 -0.933 358 HB3 GLU 54 2HB GLU 54 -8.556 -15.916 -0.552 359 HG2 GLU 54 1HG GLU 54 -10.163 -13.854 0.922 360 HG3 GLU 54 2HG GLU 54 -10.738 -14.648 -0.544 361 H GLY 55 H GLY 55 -5.798 -13.529 -0.328 362 HA2 GLY 55 1HA GLY 55 -3.428 -14.263 -0.148 363 HA3 GLY 55 2HA GLY 55 -4.034 -15.901 -0.343 364 H LYS 56 H LYS 56 -5.129 -13.067 -2.127 365 HA LYS 56 HA LYS 56 -3.851 -14.154 -4.545 366 HB2 LYS 56 1HB LYS 56 -6.596 -12.908 -4.538 367 HB3 LYS 56 2HB LYS 56 -5.813 -13.791 -5.842 368 HG2 LYS 56 1HG LYS 56 -6.511 -15.076 -3.220 369 HG3 LYS 56 2HG LYS 56 -7.638 -15.002 -4.577 370 HD2 LYS 56 1HD LYS 56 -6.052 -16.203 -5.981 371 HD3 LYS 56 2HD LYS 56 -4.882 -16.234 -4.659 372 HE2 LYS 56 1HE LYS 56 -6.630 -17.469 -3.315 373 HE3 LYS 56 2HE LYS 56 -7.545 -17.629 -4.813 374 HZ1 LYS 56 1HZ LYS 56 -5.893 -19.480 -4.060 375 HZ2 LYS 56 2HZ LYS 56 -4.737 -18.476 -4.779 376 HZ3 LYS 56 3HZ LYS 56 -6.029 -19.070 -5.696 377 HA PRO 57 HA PRO 57 -2.372 -10.087 -5.287 378 HB2 PRO 57 1HB PRO 57 -2.279 -10.063 -8.000 379 HB3 PRO 57 2HB PRO 57 -1.141 -10.983 -7.008 380 HG2 PRO 57 1HG PRO 57 -3.592 -11.925 -8.445 381 HG3 PRO 57 2HG PRO 57 -1.997 -12.692 -8.332 382 HD2 PRO 57 1HD PRO 57 -4.100 -13.474 -6.816 383 HD3 PRO 57 2HD PRO 57 -2.423 -13.560 -6.239 384 H LYS 58 H LYS 58 -3.214 -8.089 -5.436 385 HA LYS 58 HA LYS 58 -5.887 -7.820 -6.641 386 HB2 LYS 58 1HB LYS 58 -4.561 -6.251 -4.425 387 HB3 LYS 58 2HB LYS 58 -6.101 -5.810 -5.151 388 HG2 LYS 58 1HG LYS 58 -5.583 -8.453 -3.812 389 HG3 LYS 58 2HG LYS 58 -6.269 -7.048 -2.993 390 HD2 LYS 58 1HD LYS 58 -7.462 -8.272 -5.475 391 HD3 LYS 58 2HD LYS 58 -7.943 -8.727 -3.838 392 HE2 LYS 58 1HE LYS 58 -8.233 -6.118 -3.573 393 HE3 LYS 58 2HE LYS 58 -8.404 -6.189 -5.327 394 HZ1 LYS 58 1HZ LYS 58 -10.500 -6.389 -3.920 395 HZ2 LYS 58 2HZ LYS 58 -9.978 -7.956 -3.559 396 HZ3 LYS 58 3HZ LYS 58 -10.290 -7.517 -5.163 397 H LYS 59 H LYS 59 -6.204 -5.234 -7.030 398 HA LYS 59 HA LYS 59 -3.999 -4.467 -8.829 399 HB2 LYS 59 1HB LYS 59 -6.429 -5.082 -9.691 400 HB3 LYS 59 2HB LYS 59 -6.767 -3.420 -9.225 401 HG2 LYS 59 1HG LYS 59 -4.828 -2.729 -10.662 402 HG3 LYS 59 2HG LYS 59 -4.772 -4.392 -11.253 403 HD2 LYS 59 1HD LYS 59 -7.361 -2.909 -11.324 404 HD3 LYS 59 2HD LYS 59 -6.133 -2.554 -12.542 405 HE2 LYS 59 1HE LYS 59 -7.304 -4.224 -13.592 406 HE3 LYS 59 2HE LYS 59 -6.058 -5.165 -12.774 407 HZ1 LYS 59 1HZ LYS 59 -8.634 -5.731 -12.604 408 HZ2 LYS 59 2HZ LYS 59 -8.511 -4.683 -11.282 409 HZ3 LYS 59 3HZ LYS 59 -7.542 -6.068 -11.356 410 H ALA 60 H ALA 60 -2.911 -2.735 -8.200 411 HA ALA 60 HA ALA 60 -4.346 -0.623 -6.729 412 HB1 ALA 60 1HB ALA 60 -2.733 -2.117 -5.374 413 HB2 ALA 60 2HB ALA 60 -1.459 -1.216 -6.198 414 HB3 ALA 60 3HB ALA 60 -2.629 -0.366 -5.188 415 H ASN 61 H ASN 61 -3.352 1.519 -6.894 416 HA ASN 61 HA ASN 61 -1.951 1.865 -9.464 417 HB2 ASN 61 1HB ASN 61 -3.534 4.094 -8.265 418 HB3 ASN 61 2HB ASN 61 -3.234 3.715 -9.959 419 HD21 ASN 61 1HD2 ASN 61 -4.026 1.098 -10.081 420 HD22 ASN 61 2HD2 ASN 61 -5.725 0.993 -9.783 421 H ILE 62 H ILE 62 -0.446 3.624 -9.616 422 HA ILE 62 HA ILE 62 0.530 4.661 -7.049 423 HB ILE 62 HB ILE 62 2.284 3.426 -9.175 424 HG12 ILE 62 1HG1 ILE 62 2.217 2.515 -6.334 425 HG13 ILE 62 2HG1 ILE 62 0.903 2.021 -7.395 426 HG21 ILE 62 1HG2 ILE 62 4.160 4.020 -7.858 427 HG22 ILE 62 2HG2 ILE 62 3.181 5.477 -8.018 428 HG23 ILE 62 3HG2 ILE 62 3.140 4.549 -6.519 429 HD11 ILE 62 1HD1 ILE 62 2.363 0.274 -7.621 430 HD12 ILE 62 2HD1 ILE 62 2.843 1.295 -8.977 431 HD13 ILE 62 3HD1 ILE 62 3.788 1.303 -7.488 432 H ARG 63 H ARG 63 1.261 6.729 -7.096 433 HA ARG 63 HA ARG 63 1.422 8.047 -9.725 434 HB2 ARG 63 1HB ARG 63 -0.663 8.699 -8.673 435 HB3 ARG 63 2HB ARG 63 0.179 9.117 -7.187 436 HG2 ARG 63 1HG ARG 63 -0.049 11.191 -8.075 437 HG3 ARG 63 2HG ARG 63 1.488 10.740 -8.816 438 HD2 ARG 63 1HD ARG 63 0.086 11.678 -10.513 439 HD3 ARG 63 2HD ARG 63 0.221 9.945 -10.805 440 HE ARG 63 HE ARG 63 -2.045 10.209 -9.308 441 HH11 ARG 63 1HH1 ARG 63 -0.904 11.560 -12.307 442 HH12 ARG 63 2HH1 ARG 63 -2.489 11.730 -12.985 443 HH21 ARG 63 1HH2 ARG 63 -4.138 10.429 -10.189 444 HH22 ARG 63 2HH2 ARG 63 -4.328 11.088 -11.779 445 H ASP 64 H ASP 64 3.017 9.570 -10.002 446 HA ASP 64 HA ASP 64 5.033 9.679 -7.864 447 HB2 ASP 64 1HB ASP 64 6.618 10.303 -9.688 448 HB3 ASP 64 2HB ASP 64 5.898 8.709 -9.898 449 H ASN 65 H ASN 65 4.922 11.474 -6.693 450 HA ASN 65 HA ASN 65 3.752 13.893 -7.721 451 HB2 ASN 65 1HB ASN 65 4.781 12.954 -5.091 452 HB3 ASN 65 2HB ASN 65 4.739 14.693 -5.367 453 HD21 ASN 65 1HD2 ASN 65 2.928 11.874 -4.710 454 HD22 ASN 65 2HD2 ASN 65 1.372 12.619 -4.622 455 H GLY 66 H GLY 66 6.997 12.856 -6.718 456 HA2 GLY 66 1HA GLY 66 8.982 13.549 -7.808 457 HA3 GLY 66 2HA GLY 66 8.119 14.944 -8.439 458 H ASP 67 H ASP 67 7.011 15.321 -5.612 459 HA ASP 67 HA ASP 67 9.183 17.031 -4.724 460 HB2 ASP 67 1HB ASP 67 6.961 17.991 -4.748 461 HB3 ASP 67 2HB ASP 67 6.347 16.691 -3.731 462 H GLY 68 H GLY 68 9.397 14.095 -4.496 463 HA2 GLY 68 1HA GLY 68 10.512 12.753 -2.967 464 HA3 GLY 68 2HA GLY 68 10.342 14.029 -1.770 465 H THR 69 H THR 69 7.572 12.843 -3.505 466 HA THR 69 HA THR 69 6.805 11.076 -1.317 467 HB THR 69 HB THR 69 4.620 12.143 -1.014 468 HG1 THR 69 1HG THR 69 4.145 14.071 -2.031 469 HG21 THR 69 1HG2 THR 69 6.891 12.889 0.161 470 HG22 THR 69 2HG2 THR 69 5.352 13.676 0.510 471 HG23 THR 69 3HG2 THR 69 6.486 14.418 -0.618 472 H TYR 70 H TYR 70 4.604 10.055 -1.817 473 HA TYR 70 HA TYR 70 3.969 9.893 -4.647 474 HB2 TYR 70 1HB TYR 70 4.836 7.438 -3.106 475 HB3 TYR 70 2HB TYR 70 4.253 7.469 -4.766 476 HD1 TYR 70 1HD TYR 70 6.981 8.768 -2.591 477 HD2 TYR 70 2HD TYR 70 5.758 7.725 -6.531 478 HE1 TYR 70 1HE TYR 70 9.286 9.095 -3.387 479 HE2 TYR 70 2HE TYR 70 8.060 8.047 -7.337 480 HH TYR 70 HH TYR 70 10.289 9.713 -5.915 481 H THR 71 H THR 71 2.042 8.537 -5.045 482 HA THR 71 HA THR 71 0.339 8.234 -2.667 483 HB THR 71 HB THR 71 -0.658 9.382 -5.277 484 HG1 THR 71 1HG THR 71 0.746 10.867 -4.237 485 HG21 THR 71 1HG2 THR 71 -2.718 9.450 -4.343 486 HG22 THR 71 2HG2 THR 71 -2.091 9.806 -2.734 487 HG23 THR 71 3HG2 THR 71 -2.081 8.149 -3.338 488 H VAL 72 H VAL 72 -1.139 6.561 -2.727 489 HA VAL 72 HA VAL 72 -1.262 4.918 -5.150 490 HB VAL 72 HB VAL 72 -0.561 3.848 -2.413 491 HG11 VAL 72 1HG1 VAL 72 -1.268 1.831 -3.029 492 HG12 VAL 72 2HG1 VAL 72 -2.062 2.605 -4.402 493 HG13 VAL 72 3HG1 VAL 72 -0.436 1.943 -4.579 494 HG21 VAL 72 1HG2 VAL 72 1.169 4.929 -4.112 495 HG22 VAL 72 2HG2 VAL 72 1.568 3.504 -3.152 496 HG23 VAL 72 3HG2 VAL 72 1.074 3.323 -4.835 497 H SER 73 H SER 73 -3.249 4.167 -5.564 498 HA SER 73 HA SER 73 -5.246 4.279 -3.399 499 HB2 SER 73 1HB SER 73 -6.900 5.056 -4.942 500 HB3 SER 73 2HB SER 73 -5.478 6.073 -5.172 501 HG SER 73 HG SER 73 -4.973 4.900 -7.013 502 H TYR 74 H TYR 74 -6.817 2.667 -3.344 503 HA TYR 74 HA TYR 74 -6.880 0.588 -5.335 504 HB2 TYR 74 1HB TYR 74 -6.148 -1.229 -3.944 505 HB3 TYR 74 2HB TYR 74 -4.887 -0.001 -3.934 506 HD1 TYR 74 1HD TYR 74 -4.646 1.487 -1.931 507 HD2 TYR 74 2HD TYR 74 -7.218 -1.902 -1.941 508 HE1 TYR 74 1HE TYR 74 -4.697 1.527 0.527 509 HE2 TYR 74 2HE TYR 74 -7.277 -1.872 0.517 510 HH TYR 74 HH TYR 74 -5.513 0.598 2.367 511 H LEU 75 H LEU 75 -8.433 -1.177 -4.675 512 HA LEU 75 HA LEU 75 -10.483 -0.165 -2.824 513 HB2 LEU 75 1HB LEU 75 -11.270 0.349 -5.022 514 HB3 LEU 75 2HB LEU 75 -10.881 -1.271 -5.596 515 HG LEU 75 HG LEU 75 -12.649 -1.943 -3.731 516 HD11 LEU 75 1HD1 LEU 75 -14.244 -0.392 -3.217 517 HD12 LEU 75 2HD1 LEU 75 -13.940 0.566 -4.666 518 HD13 LEU 75 3HD1 LEU 75 -12.824 0.651 -3.304 519 HD21 LEU 75 1HD2 LEU 75 -13.981 -2.502 -5.467 520 HD22 LEU 75 2HD2 LEU 75 -12.580 -2.004 -6.415 521 HD23 LEU 75 3HD2 LEU 75 -13.925 -0.887 -6.174 522 HA PRO 76 HA PRO 76 -9.536 -4.388 -1.451 523 HB2 PRO 76 1HB PRO 76 -10.424 -3.982 1.082 524 HB3 PRO 76 2HB PRO 76 -8.813 -3.498 0.540 525 HG2 PRO 76 1HG PRO 76 -11.285 -1.839 0.846 526 HG3 PRO 76 2HG PRO 76 -9.615 -1.453 1.301 527 HD2 PRO 76 1HD PRO 76 -10.764 -0.509 -0.962 528 HD3 PRO 76 2HD PRO 76 -9.030 -0.873 -0.852 529 H ASP 77 H ASP 77 -11.302 -5.017 -2.931 530 HA ASP 77 HA ASP 77 -14.004 -4.837 -2.448 531 HB2 ASP 77 1HB ASP 77 -13.161 -5.779 -4.510 532 HB3 ASP 77 2HB ASP 77 -12.451 -7.139 -3.644 533 H MET 78 H MET 78 -11.892 -7.535 -1.446 534 HA MET 78 HA MET 78 -13.934 -8.647 0.243 535 HB2 MET 78 1HB MET 78 -11.033 -9.325 -0.216 536 HB3 MET 78 2HB MET 78 -12.023 -10.173 0.965 537 HG2 MET 78 1HG MET 78 -13.553 -10.863 -0.801 538 HG3 MET 78 2HG MET 78 -12.577 -10.000 -1.987 539 HE1 MET 78 1HE MET 78 -10.082 -10.953 -2.843 540 HE2 MET 78 2HE MET 78 -10.417 -12.627 -3.284 541 HE3 MET 78 3HE MET 78 -11.635 -11.381 -3.561 542 H SER 79 H SER 79 -13.491 -9.125 2.565 543 HA SER 79 HA SER 79 -12.219 -6.797 3.849 544 HB2 SER 79 1HB SER 79 -14.460 -8.496 4.966 545 HB3 SER 79 2HB SER 79 -13.822 -7.001 5.649 546 HG SER 79 HG SER 79 -15.544 -6.319 4.541 547 H GLY 80 H GLY 80 -11.012 -7.114 5.746 548 HA2 GLY 80 1HA GLY 80 -10.498 -8.997 7.441 549 HA3 GLY 80 2HA GLY 80 -9.958 -9.849 6.003 550 H ARG 81 H ARG 81 -7.837 -10.020 6.758 551 HA ARG 81 HA ARG 81 -6.367 -7.553 7.276 552 HB2 ARG 81 1HB ARG 81 -6.171 -9.754 8.637 553 HB3 ARG 81 2HB ARG 81 -5.172 -10.308 7.301 554 HG2 ARG 81 1HG ARG 81 -3.910 -8.045 7.729 555 HG3 ARG 81 2HG ARG 81 -4.631 -8.207 9.331 556 HD2 ARG 81 1HD ARG 81 -3.699 -10.678 9.082 557 HD3 ARG 81 2HD ARG 81 -2.574 -9.875 7.988 558 HE ARG 81 HE ARG 81 -2.596 -8.363 10.290 559 HH11 ARG 81 1HH1 ARG 81 -1.837 -11.648 9.422 560 HH12 ARG 81 2HH1 ARG 81 -0.657 -11.844 10.675 561 HH21 ARG 81 1HH2 ARG 81 -1.044 -8.608 11.943 562 HH22 ARG 81 2HH2 ARG 81 -0.207 -10.115 12.109 563 H TYR 82 H TYR 82 -5.734 -6.507 5.499 564 HA TYR 82 HA TYR 82 -5.025 -7.951 3.087 565 HB2 TYR 82 1HB TYR 82 -5.508 -5.097 3.801 566 HB3 TYR 82 2HB TYR 82 -4.505 -5.438 2.396 567 HD1 TYR 82 1HD TYR 82 -5.455 -6.587 0.441 568 HD2 TYR 82 2HD TYR 82 -7.874 -5.523 3.775 569 HE1 TYR 82 1HE TYR 82 -7.473 -6.921 -0.924 570 HE2 TYR 82 2HE TYR 82 -9.899 -5.856 2.420 571 HH TYR 82 HH TYR 82 -10.066 -7.533 -0.257 572 H THR 83 H THR 83 -3.011 -8.096 2.190 573 HA THR 83 HA THR 83 -0.773 -7.324 3.937 574 HB THR 83 HB THR 83 -0.800 -9.415 1.752 575 HG1 THR 83 1HG THR 83 -0.515 -10.721 3.854 576 HG21 THR 83 1HG2 THR 83 1.279 -8.444 3.678 577 HG22 THR 83 2HG2 THR 83 1.426 -8.781 1.953 578 HG23 THR 83 3HG2 THR 83 1.308 -10.111 3.105 579 H ILE 84 H ILE 84 -0.162 -5.330 3.273 580 HA ILE 84 HA ILE 84 0.145 -4.804 0.413 581 HB ILE 84 HB ILE 84 0.552 -2.870 2.692 582 HG12 ILE 84 1HG1 ILE 84 -1.925 -3.191 0.991 583 HG13 ILE 84 2HG1 ILE 84 -1.759 -3.878 2.603 584 HG21 ILE 84 1HG2 ILE 84 -0.243 -2.087 -0.066 585 HG22 ILE 84 2HG2 ILE 84 0.703 -1.204 1.131 586 HG23 ILE 84 3HG2 ILE 84 1.435 -2.535 0.236 587 HD11 ILE 84 1HD1 ILE 84 -2.986 -1.671 2.399 588 HD12 ILE 84 2HD1 ILE 84 -1.708 -1.765 3.611 589 HD13 ILE 84 3HD1 ILE 84 -1.411 -0.948 2.077 590 H THR 85 H THR 85 2.039 -5.122 -0.528 591 HA THR 85 HA THR 85 4.471 -5.094 1.125 592 HB THR 85 HB THR 85 4.110 -6.311 -1.619 593 HG1 THR 85 1HG THR 85 4.227 -7.614 0.914 594 HG21 THR 85 1HG2 THR 85 6.319 -6.660 0.411 595 HG22 THR 85 2HG2 THR 85 6.424 -5.656 -1.035 596 HG23 THR 85 3HG2 THR 85 6.231 -7.402 -1.186 597 H ILE 86 H ILE 86 5.500 -3.207 1.044 598 HA ILE 86 HA ILE 86 5.577 -1.752 -1.515 599 HB ILE 86 HB ILE 86 5.993 -0.689 1.282 600 HG12 ILE 86 1HG1 ILE 86 3.754 -0.114 -0.666 601 HG13 ILE 86 2HG1 ILE 86 3.637 -1.297 0.632 602 HG21 ILE 86 1HG2 ILE 86 6.606 0.395 -1.359 603 HG22 ILE 86 2HG2 ILE 86 5.616 1.464 -0.367 604 HG23 ILE 86 3HG2 ILE 86 7.174 0.896 0.234 605 HD11 ILE 86 1HD1 ILE 86 2.639 0.975 1.076 606 HD12 ILE 86 2HD1 ILE 86 3.766 0.367 2.289 607 HD13 ILE 86 3HD1 ILE 86 4.292 1.588 1.130 608 H LYS 87 H LYS 87 7.423 -1.902 -2.585 609 HA LYS 87 HA LYS 87 9.930 -2.127 -1.051 610 HB2 LYS 87 1HB LYS 87 9.138 -3.498 -3.619 611 HB3 LYS 87 2HB LYS 87 10.804 -3.403 -3.062 612 HG2 LYS 87 1HG LYS 87 9.874 -4.451 -0.884 613 HG3 LYS 87 2HG LYS 87 8.505 -4.913 -1.898 614 HD2 LYS 87 1HD LYS 87 10.205 -5.918 -3.490 615 HD3 LYS 87 2HD LYS 87 11.397 -5.690 -2.208 616 HE2 LYS 87 1HE LYS 87 10.350 -7.223 -0.798 617 HE3 LYS 87 2HE LYS 87 8.826 -7.135 -1.680 618 HZ1 LYS 87 1HZ LYS 87 10.139 -9.206 -2.043 619 HZ2 LYS 87 2HZ LYS 87 11.309 -8.274 -2.832 620 HZ3 LYS 87 3HZ LYS 87 9.742 -8.374 -3.461 621 H TYR 88 H TYR 88 11.622 -0.857 -1.669 622 HA TYR 88 HA TYR 88 11.065 1.088 -3.808 623 HB2 TYR 88 1HB TYR 88 11.393 1.831 -1.347 624 HB3 TYR 88 2HB TYR 88 13.099 1.505 -1.634 625 HD1 TYR 88 1HD TYR 88 10.234 3.594 -2.668 626 HD2 TYR 88 2HD TYR 88 14.440 3.002 -2.911 627 HE1 TYR 88 1HE TYR 88 10.484 5.826 -3.671 628 HE2 TYR 88 2HE TYR 88 14.702 5.233 -3.913 629 HH TYR 88 HH TYR 88 13.580 7.301 -4.122 630 H GLY 89 H GLY 89 12.296 1.041 -5.569 631 HA2 GLY 89 1HA GLY 89 13.857 0.134 -7.036 632 HA3 GLY 89 2HA GLY 89 14.946 0.936 -5.913 633 H GLY 90 H GLY 90 12.955 -1.863 -5.141 634 HA2 GLY 90 1HA GLY 90 13.579 -4.112 -4.960 635 HA3 GLY 90 2HA GLY 90 15.223 -3.667 -5.392 636 H ASP 91 H ASP 91 13.275 -2.220 -2.833 637 HA ASP 91 HA ASP 91 14.796 -3.638 -0.792 638 HB2 ASP 91 1HB ASP 91 15.090 -0.748 -1.428 639 HB3 ASP 91 2HB ASP 91 15.043 -1.196 0.275 640 H GLU 92 H GLU 92 13.138 -4.501 0.297 641 HA GLU 92 HA GLU 92 10.604 -3.250 0.588 642 HB2 GLU 92 1HB GLU 92 11.006 -5.721 0.644 643 HB3 GLU 92 2HB GLU 92 11.744 -5.519 2.226 644 HG2 GLU 92 1HG GLU 92 9.496 -4.392 2.852 645 HG3 GLU 92 2HG GLU 92 8.885 -5.225 1.424 646 H ILE 93 H ILE 93 9.982 -1.745 1.981 647 HA ILE 93 HA ILE 93 11.699 -0.507 3.803 648 HB ILE 93 HB ILE 93 9.597 0.508 4.766 649 HG12 ILE 93 1HG1 ILE 93 8.193 -0.869 2.483 650 HG13 ILE 93 2HG1 ILE 93 8.218 -1.559 4.102 651 HG21 ILE 93 1HG2 ILE 93 10.837 1.593 2.990 652 HG22 ILE 93 2HG2 ILE 93 9.994 0.627 1.780 653 HG23 ILE 93 3HG2 ILE 93 9.105 1.811 2.738 654 HD11 ILE 93 1HD1 ILE 93 6.422 0.306 3.072 655 HD12 ILE 93 2HD1 ILE 93 6.566 -0.239 4.744 656 HD13 ILE 93 3HD1 ILE 93 7.435 1.199 4.206 657 HA PRO 94 HA PRO 94 11.597 -2.977 7.433 658 HB2 PRO 94 1HB PRO 94 11.837 -1.071 9.351 659 HB3 PRO 94 2HB PRO 94 13.174 -1.547 8.297 660 HG2 PRO 94 1HG PRO 94 11.342 0.811 8.086 661 HG3 PRO 94 2HG PRO 94 13.098 0.734 7.851 662 HD2 PRO 94 1HD PRO 94 11.351 0.766 5.782 663 HD3 PRO 94 2HD PRO 94 12.901 -0.096 5.710 664 H TYR 95 H TYR 95 9.055 -1.112 6.503 665 HA TYR 95 HA TYR 95 7.503 -1.586 8.951 666 HB2 TYR 95 1HB TYR 95 7.170 0.298 6.636 667 HB3 TYR 95 2HB TYR 95 5.797 -0.110 7.658 668 HD1 TYR 95 1HD TYR 95 9.385 0.583 8.442 669 HD2 TYR 95 2HD TYR 95 5.319 1.696 9.017 670 HE1 TYR 95 1HE TYR 95 10.089 2.295 10.062 671 HE2 TYR 95 2HE TYR 95 6.012 3.412 10.637 672 HH TYR 95 HH TYR 95 9.261 3.610 11.827 673 H SER 96 H SER 96 7.876 -2.571 5.669 674 HA SER 96 HA SER 96 5.275 -3.843 5.520 675 HB2 SER 96 1HB SER 96 5.810 -3.183 3.393 676 HB3 SER 96 2HB SER 96 7.543 -3.383 3.652 677 HG SER 96 HG SER 96 7.371 -5.519 3.249 678 HA PRO 97 HA PRO 97 4.564 -5.606 4.106 679 HB2 PRO 97 1HB PRO 97 2.865 -7.483 5.086 680 HB3 PRO 97 2HB PRO 97 4.115 -7.849 3.892 681 HG2 PRO 97 1HG PRO 97 4.145 -8.272 6.855 682 HG3 PRO 97 2HG PRO 97 4.700 -9.355 5.565 683 HD2 PRO 97 1HD PRO 97 6.400 -7.829 7.018 684 HD3 PRO 97 2HD PRO 97 6.702 -8.239 5.318 685 H PHE 98 H PHE 98 2.769 -4.359 4.437 686 HA PHE 98 HA PHE 98 2.395 -3.308 7.109 687 HB2 PHE 98 1HB PHE 98 1.594 -2.502 4.361 688 HB3 PHE 98 2HB PHE 98 0.569 -1.963 5.687 689 HD1 PHE 98 2HD PHE 98 2.027 -1.038 7.770 690 HD2 PHE 98 1HD PHE 98 3.213 -1.042 3.682 691 HE1 PHE 98 2HE PHE 98 3.586 0.810 8.224 692 HE2 PHE 98 1HE PHE 98 4.775 0.806 4.130 693 HZ PHE 98 HZ PHE 98 4.963 1.735 6.403 694 H ARG 99 H ARG 99 1.186 -4.502 8.441 695 HA ARG 99 HA ARG 99 -0.979 -6.141 7.501 696 HB2 ARG 99 1HB ARG 99 -1.336 -6.509 9.995 697 HB3 ARG 99 2HB ARG 99 0.211 -7.024 9.337 698 HG2 ARG 99 1HG ARG 99 1.322 -5.132 10.254 699 HG3 ARG 99 2HG ARG 99 -0.209 -4.382 10.708 700 HD2 ARG 99 1HD ARG 99 -0.630 -6.243 12.265 701 HD3 ARG 99 2HD ARG 99 0.934 -6.935 11.836 702 HE ARG 99 HE ARG 99 0.457 -4.824 13.675 703 HH11 ARG 99 1HH1 ARG 99 2.724 -5.962 11.290 704 HH12 ARG 99 2HH1 ARG 99 4.085 -5.176 12.019 705 HH21 ARG 99 1HH2 ARG 99 2.241 -3.785 14.644 706 HH22 ARG 99 2HH2 ARG 99 3.810 -3.939 13.927 707 H ILE 100 H ILE 100 -2.747 -5.108 6.787 708 HA ILE 100 HA ILE 100 -3.889 -2.995 8.496 709 HB ILE 100 HB ILE 100 -4.408 -3.359 5.546 710 HG12 ILE 100 1HG1 ILE 100 -2.053 -2.795 5.891 711 HG13 ILE 100 2HG1 ILE 100 -2.919 -1.424 5.207 712 HG21 ILE 100 1HG2 ILE 100 -6.201 -2.193 6.527 713 HG22 ILE 100 2HG2 ILE 100 -5.128 -1.245 7.555 714 HG23 ILE 100 3HG2 ILE 100 -5.171 -0.951 5.817 715 HD11 ILE 100 1HD1 ILE 100 -1.313 -1.477 7.497 716 HD12 ILE 100 2HD1 ILE 100 -2.290 -0.140 6.890 717 HD13 ILE 100 3HD1 ILE 100 -2.971 -1.269 8.062 718 H HIS 101 H HIS 101 -6.165 -2.943 8.760 719 HA HIS 101 HA HIS 101 -7.490 -5.519 8.213 720 HB2 HIS 101 1HB HIS 101 -6.912 -4.753 10.671 721 HB3 HIS 101 2HB HIS 101 -8.360 -3.769 10.477 722 HD1 HIS 101 1HD HIS 101 -7.445 -6.841 11.855 723 HD2 HIS 101 2HD HIS 101 -10.549 -5.664 9.358 724 HE1 HIS 101 1HE HIS 101 -9.215 -8.610 12.104 725 HE2 HIS 101 2HE HIS 101 -11.047 -7.921 10.519 726 H ALA 102 H ALA 102 -9.377 -5.475 7.151 727 HA ALA 102 HA ALA 102 -10.572 -2.837 6.609 728 HB1 ALA 102 1HB ALA 102 -9.637 -3.960 4.633 729 HB2 ALA 102 2HB ALA 102 -10.719 -5.325 4.912 730 HB3 ALA 102 3HB ALA 102 -11.383 -3.741 4.512 731 H LEU 103 H LEU 103 -12.354 -2.507 7.761 732 HA LEU 103 HA LEU 103 -13.933 -4.728 8.740 733 HB2 LEU 103 1HB LEU 103 -14.506 -1.791 9.046 734 HB3 LEU 103 2HB LEU 103 -15.124 -3.117 10.028 735 HG LEU 103 HG LEU 103 -12.192 -2.484 9.944 736 HD11 LEU 103 1HD1 LEU 103 -13.706 -1.425 12.215 737 HD12 LEU 103 2HD1 LEU 103 -14.005 -0.595 10.688 738 HD13 LEU 103 3HD1 LEU 103 -12.361 -0.722 11.316 739 HD21 LEU 103 1HD2 LEU 103 -13.716 -3.521 12.287 740 HD22 LEU 103 2HD2 LEU 103 -12.038 -3.798 11.821 741 HD23 LEU 103 3HD2 LEU 103 -13.341 -4.612 10.953 742 HA PRO 104 HA PRO 104 -16.851 -4.687 5.430 743 HB2 PRO 104 1HB PRO 104 -18.858 -6.027 6.674 744 HB3 PRO 104 2HB PRO 104 -17.390 -6.820 6.091 745 HG2 PRO 104 1HG PRO 104 -18.087 -5.927 8.861 746 HG3 PRO 104 2HG PRO 104 -17.320 -7.435 8.332 747 HD2 PRO 104 1HD PRO 104 -15.908 -5.366 9.360 748 HD3 PRO 104 2HD PRO 104 -15.244 -6.454 8.125 749 H THR 105 H THR 105 -17.394 -2.511 5.235 750 HA THR 105 HA THR 105 -19.038 -1.129 7.098 751 HB THR 105 HB THR 105 -17.572 0.137 5.653 752 HG1 THR 105 1HG THR 105 -19.010 1.716 5.269 753 HG21 THR 105 1HG2 THR 105 -17.480 -0.001 3.382 754 HG22 THR 105 2HG2 THR 105 -19.204 -0.338 3.224 755 HG23 THR 105 3HG2 THR 105 -18.095 -1.621 3.708 756 H GLY 106 H GLY 106 -19.674 -2.727 3.994 757 HA2 GLY 106 1HA GLY 106 -21.639 -3.700 3.249 758 HA3 GLY 106 2HA GLY 106 -22.401 -3.234 4.762 759 H ASP 107 H ASP 107 -22.389 -0.612 4.870 760 HA ASP 107 HA ASP 107 -24.398 0.213 3.137 761 HB2 ASP 107 1HB ASP 107 -22.416 1.958 4.615 762 HB3 ASP 107 2HB ASP 107 -23.964 2.484 3.961 763 H ALA 108 H ALA 108 -24.342 0.581 1.030 764 HA ALA 108 HA ALA 108 -21.828 1.065 -0.323 765 HB1 ALA 108 1HB ALA 108 -24.131 -0.255 -1.024 766 HB2 ALA 108 2HB ALA 108 -24.235 1.238 -1.956 767 HB3 ALA 108 3HB ALA 108 -22.825 0.193 -2.121 768 H SER 109 H SER 109 -21.035 3.050 -0.487 769 HA SER 109 HA SER 109 -22.567 5.199 -1.561 770 HB2 SER 109 1HB SER 109 -22.066 5.095 1.382 771 HB3 SER 109 2HB SER 109 -21.953 6.657 0.570 772 HG SER 109 HG SER 109 -24.170 5.082 -0.017 773 H SER 110 H SER 110 -21.262 6.642 -2.544 774 HA SER 110 HA SER 110 -19.336 7.424 -3.488 775 HB2 SER 110 1HB SER 110 -19.455 8.464 -1.102 776 HB3 SER 110 2HB SER 110 -18.109 7.382 -0.745 777 HG SER 110 HG SER 110 -17.085 9.120 -1.483 778 H GLY 111 H GLY 111 -19.541 4.626 -3.583 779 HA2 GLY 111 1HA GLY 111 -16.691 3.874 -3.378 780 HA3 GLY 111 2HA GLY 111 -17.978 2.752 -2.963 781 HA PRO 112 HA PRO 112 -16.841 1.842 -7.320 782 HB2 PRO 112 1HB PRO 112 -17.168 -0.841 -7.068 783 HB3 PRO 112 2HB PRO 112 -15.669 -0.011 -6.635 784 HG2 PRO 112 1HG PRO 112 -17.902 -0.932 -4.867 785 HG3 PRO 112 2HG PRO 112 -16.151 -1.057 -4.615 786 HD2 PRO 112 1HD PRO 112 -17.662 0.852 -3.429 787 HD3 PRO 112 2HD PRO 112 -15.972 1.127 -3.899 788 H SER 113 H SER 113 -19.533 0.824 -5.304 789 HA SER 113 HA SER 113 -21.726 0.408 -5.745 790 HB2 SER 113 1HB SER 113 -21.116 2.185 -8.118 791 HB3 SER 113 2HB SER 113 -22.739 1.705 -7.624 792 HG SER 113 HG SER 113 -21.738 3.805 -6.825 793 H SER 114 H SER 114 -20.301 -1.728 -6.338 794 HA SER 114 HA SER 114 -21.578 -2.748 -8.773 795 HB2 SER 114 1HB SER 114 -19.568 -3.863 -9.503 796 HB3 SER 114 2HB SER 114 -19.189 -2.158 -9.264 797 HG SER 114 HG SER 114 -17.657 -3.713 -8.353 798 H GLY 115 H GLY 115 -22.328 -4.815 -8.633 799 HA2 GLY 115 1HA GLY 115 -21.551 -6.442 -6.322 800 HA3 GLY 115 2HA GLY 115 -23.248 -6.019 -6.494 Start of MODEL 12 1 H1 GLY 1 H GLY 1 14.274 -10.874 -16.900 2 HA2 GLY 1 1HA GLY 1 15.851 -10.921 -15.134 3 HA3 GLY 1 2HA GLY 1 16.853 -10.897 -16.577 4 H SER 2 H SER 2 15.841 -9.181 -13.778 5 HA SER 2 HA SER 2 16.861 -6.621 -14.552 6 HB2 SER 2 1HB SER 2 15.870 -7.828 -11.992 7 HB3 SER 2 2HB SER 2 16.741 -6.296 -11.950 8 HG SER 2 HG SER 2 14.474 -6.805 -13.578 9 H SER 3 H SER 3 18.913 -6.018 -14.634 10 HA SER 3 HA SER 3 20.872 -7.446 -12.959 11 HB2 SER 3 1HB SER 3 22.511 -7.235 -14.753 12 HB3 SER 3 2HB SER 3 21.078 -8.071 -15.351 13 HG SER 3 HG SER 3 20.404 -6.100 -16.280 14 H GLY 4 H GLY 4 22.996 -6.124 -12.838 15 HA2 GLY 4 1HA GLY 4 23.850 -3.790 -12.977 16 HA3 GLY 4 2HA GLY 4 22.272 -3.294 -12.383 17 H SER 5 H SER 5 25.405 -3.843 -11.506 18 HA SER 5 HA SER 5 24.792 -4.713 -8.786 19 HB2 SER 5 1HB SER 5 27.254 -4.815 -8.510 20 HB3 SER 5 2HB SER 5 26.696 -5.782 -9.875 21 HG SER 5 HG SER 5 27.854 -4.582 -11.141 22 H SER 6 H SER 6 23.675 -2.797 -8.151 23 HA SER 6 HA SER 6 25.369 -0.869 -6.914 24 HB2 SER 6 1HB SER 6 25.491 0.181 -9.054 25 HB3 SER 6 2HB SER 6 23.763 -0.032 -9.332 26 HG SER 6 HG SER 6 23.781 1.979 -8.625 27 H GLY 7 H GLY 7 24.245 0.495 -5.453 28 HA2 GLY 7 1HA GLY 7 21.378 0.415 -5.271 29 HA3 GLY 7 2HA GLY 7 22.161 -0.592 -4.062 30 H ALA 8 H ALA 8 21.270 2.580 -4.963 31 HA ALA 8 HA ALA 8 22.580 3.631 -2.540 32 HB1 ALA 8 1HB ALA 8 21.970 5.322 -4.944 33 HB2 ALA 8 2HB ALA 8 23.042 5.676 -3.589 34 HB3 ALA 8 3HB ALA 8 23.495 4.452 -4.775 35 H HIS 9 H HIS 9 20.063 2.477 -2.441 36 HA HIS 9 HA HIS 9 18.366 4.836 -1.970 37 HB2 HIS 9 1HB HIS 9 16.396 3.439 -2.562 38 HB3 HIS 9 2HB HIS 9 17.489 3.696 -3.919 39 HD1 HIS 9 1HD HIS 9 18.694 1.645 -4.873 40 HD2 HIS 9 2HD HIS 9 16.282 0.791 -1.600 41 HE1 HIS 9 1HE HIS 9 18.525 -0.863 -4.798 42 HE2 HIS 9 2HE HIS 9 16.992 -1.353 -2.861 43 H ASP 10 H ASP 10 16.945 4.716 -0.190 44 HA ASP 10 HA ASP 10 17.364 2.463 1.646 45 HB2 ASP 10 1HB ASP 10 17.904 5.356 2.145 46 HB3 ASP 10 2HB ASP 10 17.256 4.388 3.466 47 H ALA 11 H ALA 11 15.370 1.596 1.604 48 HA ALA 11 HA ALA 11 12.962 2.986 1.271 49 HB1 ALA 11 1HB ALA 11 11.904 0.968 1.554 50 HB2 ALA 11 2HB ALA 11 13.530 0.434 1.122 51 HB3 ALA 11 3HB ALA 11 13.021 0.434 2.810 52 H SER 12 H SER 12 14.861 2.299 4.118 53 HA SER 12 HA SER 12 12.997 2.647 6.134 54 HB2 SER 12 1HB SER 12 14.937 3.446 7.520 55 HB3 SER 12 2HB SER 12 15.235 1.932 6.666 56 HG SER 12 HG SER 12 15.942 4.354 5.444 57 H LYS 13 H LYS 13 14.427 4.995 4.017 58 HA LYS 13 HA LYS 13 13.605 7.267 5.600 59 HB2 LYS 13 1HB LYS 13 14.589 7.202 2.743 60 HB3 LYS 13 2HB LYS 13 14.488 8.614 3.786 61 HG2 LYS 13 1HG LYS 13 16.180 6.250 4.512 62 HG3 LYS 13 2HG LYS 13 16.775 7.529 3.451 63 HD2 LYS 13 1HD LYS 13 15.635 8.031 6.196 64 HD3 LYS 13 2HD LYS 13 17.357 7.801 5.879 65 HE2 LYS 13 1HE LYS 13 17.261 9.710 4.293 66 HE3 LYS 13 2HE LYS 13 15.582 9.971 4.766 67 HZ1 LYS 13 1HZ LYS 13 16.951 9.876 7.128 68 HZ2 LYS 13 2HZ LYS 13 16.393 11.272 6.354 69 HZ3 LYS 13 3HZ LYS 13 17.981 10.745 6.106 70 H VAL 14 H VAL 14 11.682 5.203 4.407 71 HA VAL 14 HA VAL 14 9.983 7.042 2.864 72 HB VAL 14 HB VAL 14 9.832 4.035 3.115 73 HG11 VAL 14 1HG1 VAL 14 8.293 4.882 0.953 74 HG12 VAL 14 2HG1 VAL 14 7.707 4.245 2.490 75 HG13 VAL 14 3HG1 VAL 14 7.882 5.985 2.265 76 HG21 VAL 14 1HG2 VAL 14 11.691 5.195 1.726 77 HG22 VAL 14 2HG2 VAL 14 10.773 3.874 1.004 78 HG23 VAL 14 3HG2 VAL 14 10.386 5.545 0.592 79 H ARG 15 H ARG 15 8.340 7.966 3.880 80 HA ARG 15 HA ARG 15 7.406 6.825 6.411 81 HB2 ARG 15 1HB ARG 15 7.472 9.553 5.237 82 HB3 ARG 15 2HB ARG 15 6.125 9.177 6.302 83 HG2 ARG 15 1HG ARG 15 7.721 10.115 7.708 84 HG3 ARG 15 2HG ARG 15 7.900 8.378 7.961 85 HD2 ARG 15 1HD ARG 15 9.913 8.288 6.857 86 HD3 ARG 15 2HD ARG 15 9.556 9.706 5.871 87 HE ARG 15 HE ARG 15 10.500 11.014 7.488 88 HH11 ARG 15 1HH1 ARG 15 9.764 7.895 8.849 89 HH12 ARG 15 2HH1 ARG 15 10.558 8.219 10.354 90 HH21 ARG 15 1HH2 ARG 15 11.548 11.453 9.466 91 HH22 ARG 15 2HH2 ARG 15 11.572 10.243 10.705 92 H ALA 16 H ALA 16 5.583 5.704 6.465 93 HA ALA 16 HA ALA 16 3.679 5.992 4.245 94 HB1 ALA 16 1HB ALA 16 3.029 3.764 5.879 95 HB2 ALA 16 2HB ALA 16 3.628 3.776 4.219 96 HB3 ALA 16 3HB ALA 16 4.765 3.729 5.567 97 H SER 17 H SER 17 1.857 7.060 4.606 98 HA SER 17 HA SER 17 0.462 6.804 7.132 99 HB2 SER 17 1HB SER 17 0.270 9.295 7.399 100 HB3 SER 17 2HB SER 17 1.894 8.665 7.675 101 HG SER 17 HG SER 17 2.471 10.066 6.227 102 H GLY 18 H GLY 18 -1.719 7.629 7.052 103 HA2 GLY 18 1HA GLY 18 -3.300 8.889 5.503 104 HA3 GLY 18 2HA GLY 18 -2.720 7.769 4.280 105 HA PRO 19 HA PRO 19 -6.554 6.067 6.366 106 HB2 PRO 19 1HB PRO 19 -8.012 5.797 4.092 107 HB3 PRO 19 2HB PRO 19 -7.999 7.279 5.054 108 HG2 PRO 19 1HG PRO 19 -6.484 6.631 2.556 109 HG3 PRO 19 2HG PRO 19 -7.327 8.127 2.996 110 HD2 PRO 19 1HD PRO 19 -4.642 7.852 3.210 111 HD3 PRO 19 2HD PRO 19 -5.589 8.867 4.316 112 H GLY 20 H GLY 20 -5.139 5.206 3.209 113 HA2 GLY 20 1HA GLY 20 -5.942 2.524 3.171 114 HA3 GLY 20 2HA GLY 20 -4.555 3.177 2.313 115 H LEU 21 H LEU 21 -3.359 4.083 4.900 116 HA LEU 21 HA LEU 21 -2.254 1.474 5.670 117 HB2 LEU 21 1HB LEU 21 -1.129 4.232 6.131 118 HB3 LEU 21 2HB LEU 21 -0.327 2.703 6.487 119 HG LEU 21 HG LEU 21 -1.105 3.540 3.701 120 HD11 LEU 21 1HD1 LEU 21 1.570 3.809 3.743 121 HD12 LEU 21 2HD1 LEU 21 1.179 4.349 5.376 122 HD13 LEU 21 3HD1 LEU 21 0.447 5.147 3.985 123 HD21 LEU 21 1HD2 LEU 21 1.114 1.679 4.372 124 HD22 LEU 21 2HD2 LEU 21 0.050 1.713 2.965 125 HD23 LEU 21 3HD2 LEU 21 -0.543 1.089 4.505 126 H ASN 22 H ASN 22 -4.776 2.441 6.705 127 HA ASN 22 HA ASN 22 -4.339 3.418 9.368 128 HB2 ASN 22 1HB ASN 22 -6.427 3.760 7.911 129 HB3 ASN 22 2HB ASN 22 -6.871 2.120 8.374 130 HD21 ASN 22 1HD2 ASN 22 -8.280 2.083 9.952 131 HD22 ASN 22 2HD2 ASN 22 -8.359 3.183 11.282 132 H ALA 23 H ALA 23 -3.786 2.261 11.084 133 HA ALA 23 HA ALA 23 -3.675 -0.621 10.929 134 HB1 ALA 23 1HB ALA 23 -2.097 1.208 12.145 135 HB2 ALA 23 2HB ALA 23 -3.081 0.664 13.505 136 HB3 ALA 23 3HB ALA 23 -2.144 -0.503 12.572 137 H SER 24 H SER 24 -5.697 1.805 12.385 138 HA SER 24 HA SER 24 -6.948 0.128 14.311 139 HB2 SER 24 1HB SER 24 -7.041 2.519 14.607 140 HB3 SER 24 2HB SER 24 -7.826 2.730 13.043 141 HG SER 24 HG SER 24 -9.067 2.561 15.242 142 H GLY 25 H GLY 25 -7.362 0.609 10.915 143 HA2 GLY 25 1HA GLY 25 -8.554 -1.391 9.916 144 HA3 GLY 25 2HA GLY 25 -9.870 -0.948 10.993 145 H ILE 26 H ILE 26 -9.299 -0.998 7.924 146 HA ILE 26 HA ILE 26 -10.285 1.719 7.363 147 HB ILE 26 HB ILE 26 -9.549 1.371 5.048 148 HG12 ILE 26 1HG1 ILE 26 -8.045 -1.081 5.861 149 HG13 ILE 26 2HG1 ILE 26 -9.741 -1.239 5.420 150 HG21 ILE 26 1HG2 ILE 26 -7.310 0.772 6.971 151 HG22 ILE 26 2HG2 ILE 26 -7.203 1.619 5.428 152 HG23 ILE 26 3HG2 ILE 26 -8.053 2.360 6.784 153 HD11 ILE 26 1HD1 ILE 26 -7.779 0.143 3.630 154 HD12 ILE 26 2HD1 ILE 26 -7.998 -1.608 3.604 155 HD13 ILE 26 3HD1 ILE 26 -9.354 -0.544 3.230 156 HA PRO 27 HA PRO 27 -14.204 0.087 6.205 157 HB2 PRO 27 1HB PRO 27 -15.008 2.032 4.491 158 HB3 PRO 27 2HB PRO 27 -14.955 2.258 6.243 159 HG2 PRO 27 1HG PRO 27 -12.981 3.115 4.161 160 HG3 PRO 27 2HG PRO 27 -13.586 4.012 5.566 161 HD2 PRO 27 1HD PRO 27 -11.178 2.774 5.556 162 HD3 PRO 27 2HD PRO 27 -12.161 2.938 7.025 163 H ALA 28 H ALA 28 -14.176 -1.714 4.986 164 HA ALA 28 HA ALA 28 -12.861 -1.976 2.502 165 HB1 ALA 28 1HB ALA 28 -14.024 -4.119 2.324 166 HB2 ALA 28 2HB ALA 28 -13.337 -3.891 3.932 167 HB3 ALA 28 3HB ALA 28 -15.067 -3.667 3.673 168 H SER 29 H SER 29 -14.295 -2.961 0.596 169 HA SER 29 HA SER 29 -15.554 -2.352 -1.206 170 HB2 SER 29 1HB SER 29 -17.948 -1.904 -0.698 171 HB3 SER 29 2HB SER 29 -17.321 -3.311 0.163 172 HG SER 29 HG SER 29 -17.686 -0.698 1.212 173 H LEU 30 H LEU 30 -13.885 -0.268 0.074 174 HA LEU 30 HA LEU 30 -15.146 2.027 -1.225 175 HB2 LEU 30 1HB LEU 30 -15.662 2.167 1.187 176 HB3 LEU 30 2HB LEU 30 -13.934 2.153 1.533 177 HG LEU 30 HG LEU 30 -13.877 4.280 0.044 178 HD11 LEU 30 1HD1 LEU 30 -16.682 4.622 0.999 179 HD12 LEU 30 2HD1 LEU 30 -16.375 3.815 -0.538 180 HD13 LEU 30 3HD1 LEU 30 -15.818 5.469 -0.284 181 HD21 LEU 30 1HD2 LEU 30 -15.140 5.288 2.354 182 HD22 LEU 30 2HD2 LEU 30 -13.412 5.120 2.043 183 HD23 LEU 30 3HD2 LEU 30 -14.298 3.813 2.830 184 HA PRO 31 HA PRO 31 -11.089 2.458 -2.901 185 HB2 PRO 31 1HB PRO 31 -11.325 4.992 -3.846 186 HB3 PRO 31 2HB PRO 31 -12.093 3.603 -4.621 187 HG2 PRO 31 1HG PRO 31 -13.276 5.626 -2.759 188 HG3 PRO 31 2HG PRO 31 -13.958 4.940 -4.245 189 HD2 PRO 31 1HD PRO 31 -14.680 4.084 -1.779 190 HD3 PRO 31 2HD PRO 31 -14.637 3.006 -3.189 191 H VAL 32 H VAL 32 -9.539 2.540 -1.356 192 HA VAL 32 HA VAL 32 -9.209 5.071 0.119 193 HB VAL 32 HB VAL 32 -9.659 2.964 1.468 194 HG11 VAL 32 1HG1 VAL 32 -6.786 2.329 0.842 195 HG12 VAL 32 2HG1 VAL 32 -7.940 1.363 1.764 196 HG13 VAL 32 3HG1 VAL 32 -8.142 1.555 0.022 197 HG21 VAL 32 1HG2 VAL 32 -8.506 5.131 2.228 198 HG22 VAL 32 2HG2 VAL 32 -8.322 3.696 3.236 199 HG23 VAL 32 3HG2 VAL 32 -7.014 4.194 2.164 200 H GLU 33 H GLU 33 -7.166 5.992 0.273 201 HA GLU 33 HA GLU 33 -4.965 4.735 -1.175 202 HB2 GLU 33 1HB GLU 33 -4.509 6.837 -2.419 203 HB3 GLU 33 2HB GLU 33 -6.012 6.059 -2.895 204 HG2 GLU 33 1HG GLU 33 -6.507 8.340 -2.777 205 HG3 GLU 33 2HG GLU 33 -7.174 7.646 -1.300 206 H PHE 34 H PHE 34 -2.986 5.203 -0.353 207 HA PHE 34 HA PHE 34 -2.934 6.997 1.975 208 HB2 PHE 34 1HB PHE 34 -0.779 5.692 2.493 209 HB3 PHE 34 2HB PHE 34 -2.311 4.849 2.698 210 HD1 PHE 34 1HD PHE 34 -3.094 3.325 0.827 211 HD2 PHE 34 2HD PHE 34 0.873 4.845 1.087 212 HE1 PHE 34 1HE PHE 34 -2.316 1.543 -0.681 213 HE2 PHE 34 2HE PHE 34 1.657 3.066 -0.421 214 HZ PHE 34 HZ PHE 34 0.062 1.412 -1.307 215 H THR 35 H THR 35 -0.367 7.561 2.325 216 HA THR 35 HA THR 35 0.637 8.666 -0.204 217 HB THR 35 HB THR 35 0.357 10.229 2.371 218 HG1 THR 35 1HG THR 35 -1.455 9.854 0.657 219 HG21 THR 35 1HG2 THR 35 1.226 11.473 -0.188 220 HG22 THR 35 2HG2 THR 35 2.414 10.541 0.723 221 HG23 THR 35 3HG2 THR 35 1.610 11.920 1.473 222 H ILE 36 H ILE 36 2.688 8.122 -0.506 223 HA ILE 36 HA ILE 36 4.290 7.303 1.812 224 HB ILE 36 HB ILE 36 4.877 6.837 -1.113 225 HG12 ILE 36 1HG1 ILE 36 2.792 5.712 -0.359 226 HG13 ILE 36 2HG1 ILE 36 4.064 4.574 -0.790 227 HG21 ILE 36 1HG2 ILE 36 6.512 5.242 -0.328 228 HG22 ILE 36 2HG2 ILE 36 6.828 6.817 0.397 229 HG23 ILE 36 3HG2 ILE 36 6.053 5.549 1.346 230 HD11 ILE 36 1HD1 ILE 36 3.547 5.426 2.040 231 HD12 ILE 36 2HD1 ILE 36 2.740 4.050 1.286 232 HD13 ILE 36 3HD1 ILE 36 4.494 4.055 1.464 233 H ASP 37 H ASP 37 4.929 9.344 2.542 234 HA ASP 37 HA ASP 37 6.265 11.182 0.764 235 HB2 ASP 37 1HB ASP 37 6.111 11.274 3.782 236 HB3 ASP 37 2HB ASP 37 6.506 12.606 2.699 237 H ALA 38 H ALA 38 8.107 10.228 -0.015 238 HA ALA 38 HA ALA 38 10.204 9.686 1.981 239 HB1 ALA 38 1HB ALA 38 9.074 7.731 0.478 240 HB2 ALA 38 2HB ALA 38 10.434 8.204 -0.541 241 HB3 ALA 38 3HB ALA 38 10.717 7.678 1.118 242 H ARG 39 H ARG 39 11.799 11.101 1.783 243 HA ARG 39 HA ARG 39 12.191 12.494 -0.753 244 HB2 ARG 39 1HB ARG 39 13.483 13.000 1.933 245 HB3 ARG 39 2HB ARG 39 13.580 14.039 0.518 246 HG2 ARG 39 1HG ARG 39 11.934 15.135 1.600 247 HG3 ARG 39 2HG ARG 39 10.926 13.938 0.783 248 HD2 ARG 39 1HD ARG 39 10.291 14.065 3.105 249 HD3 ARG 39 2HD ARG 39 11.058 12.509 2.793 250 HE ARG 39 HE ARG 39 12.812 14.580 3.798 251 HH11 ARG 39 1HH1 ARG 39 10.741 11.886 4.556 252 HH12 ARG 39 2HH1 ARG 39 11.480 11.582 6.093 253 HH21 ARG 39 1HH2 ARG 39 13.794 14.190 5.820 254 HH22 ARG 39 2HH2 ARG 39 13.216 12.894 6.812 255 H ASP 40 H ASP 40 14.254 10.936 1.707 256 HA ASP 40 HA ASP 40 16.338 10.561 -0.301 257 HB2 ASP 40 1HB ASP 40 16.247 10.340 2.693 258 HB3 ASP 40 2HB ASP 40 17.564 9.603 1.785 259 H ALA 41 H ALA 41 13.788 9.034 -0.292 260 HA ALA 41 HA ALA 41 14.135 6.414 0.615 261 HB1 ALA 41 1HB ALA 41 12.336 7.809 -1.208 262 HB2 ALA 41 2HB ALA 41 12.602 6.119 -1.639 263 HB3 ALA 41 3HB ALA 41 12.001 6.535 -0.034 264 H GLY 42 H GLY 42 15.540 8.071 -2.067 265 HA2 GLY 42 1HA GLY 42 17.612 7.002 -2.909 266 HA3 GLY 42 2HA GLY 42 16.685 5.513 -3.008 267 H GLU 43 H GLU 43 17.956 6.180 -5.229 268 HA GLU 43 HA GLU 43 16.089 7.656 -6.935 269 HB2 GLU 43 1HB GLU 43 17.878 7.638 -8.603 270 HB3 GLU 43 2HB GLU 43 18.447 8.294 -7.075 271 HG2 GLU 43 1HG GLU 43 19.204 5.817 -6.660 272 HG3 GLU 43 2HG GLU 43 19.145 5.738 -8.419 273 H GLY 44 H GLY 44 14.527 5.871 -6.763 274 HA2 GLY 44 1HA GLY 44 14.974 3.962 -8.930 275 HA3 GLY 44 2HA GLY 44 14.612 3.296 -7.344 276 H LEU 45 H LEU 45 12.723 2.341 -8.276 277 HA LEU 45 HA LEU 45 10.534 4.275 -8.669 278 HB2 LEU 45 1HB LEU 45 9.562 2.929 -10.294 279 HB3 LEU 45 2HB LEU 45 11.283 2.870 -10.669 280 HG LEU 45 HG LEU 45 11.138 0.670 -9.182 281 HD11 LEU 45 1HD1 LEU 45 9.093 -0.501 -9.409 282 HD12 LEU 45 2HD1 LEU 45 8.422 0.733 -10.474 283 HD13 LEU 45 3HD1 LEU 45 8.691 1.092 -8.769 284 HD21 LEU 45 1HD2 LEU 45 11.998 0.281 -11.244 285 HD22 LEU 45 2HD2 LEU 45 10.739 1.202 -12.067 286 HD23 LEU 45 3HD2 LEU 45 10.406 -0.434 -11.499 287 H LEU 46 H LEU 46 8.940 4.177 -7.234 288 HA LEU 46 HA LEU 46 8.967 2.287 -5.111 289 HB2 LEU 46 1HB LEU 46 8.165 4.434 -4.595 290 HB3 LEU 46 2HB LEU 46 7.051 4.435 -5.961 291 HG LEU 46 HG LEU 46 5.986 2.418 -4.591 292 HD11 LEU 46 1HD1 LEU 46 7.822 2.711 -2.847 293 HD12 LEU 46 2HD1 LEU 46 6.161 2.614 -2.264 294 HD13 LEU 46 3HD1 LEU 46 6.969 4.179 -2.368 295 HD21 LEU 46 1HD2 LEU 46 5.560 5.323 -4.649 296 HD22 LEU 46 2HD2 LEU 46 4.790 4.484 -3.302 297 HD23 LEU 46 3HD2 LEU 46 4.435 4.001 -4.961 298 H THR 47 H THR 47 7.719 0.517 -4.732 299 HA THR 47 HA THR 47 5.813 -0.266 -6.839 300 HB THR 47 HB THR 47 6.502 -2.594 -6.602 301 HG1 THR 47 1HG THR 47 8.796 -2.453 -5.347 302 HG21 THR 47 1HG2 THR 47 7.639 -1.460 -8.341 303 HG22 THR 47 2HG2 THR 47 8.881 -2.354 -7.463 304 HG23 THR 47 3HG2 THR 47 8.694 -0.620 -7.205 305 H VAL 48 H VAL 48 3.902 -1.114 -6.179 306 HA VAL 48 HA VAL 48 3.554 -1.656 -3.308 307 HB VAL 48 HB VAL 48 1.639 -0.094 -5.047 308 HG11 VAL 48 1HG1 VAL 48 0.344 -1.422 -3.569 309 HG12 VAL 48 2HG1 VAL 48 1.421 -1.084 -2.213 310 HG13 VAL 48 3HG1 VAL 48 0.403 0.197 -2.872 311 HG21 VAL 48 1HG2 VAL 48 2.277 1.824 -3.953 312 HG22 VAL 48 2HG2 VAL 48 2.877 0.951 -2.542 313 HG23 VAL 48 3HG2 VAL 48 3.815 0.963 -4.036 314 H GLN 49 H GLN 49 2.362 -3.418 -2.814 315 HA GLN 49 HA GLN 49 0.773 -4.694 -4.916 316 HB2 GLN 49 1HB GLN 49 2.970 -5.766 -5.003 317 HB3 GLN 49 2HB GLN 49 2.886 -6.108 -3.280 318 HG2 GLN 49 1HG GLN 49 2.359 -8.111 -4.419 319 HG3 GLN 49 2HG GLN 49 0.855 -7.490 -3.741 320 HE21 GLN 49 1HE2 GLN 49 -0.256 -8.792 -5.273 321 HE22 GLN 49 2HE2 GLN 49 -0.424 -8.273 -6.912 322 H ILE 50 H ILE 50 -1.055 -5.666 -4.202 323 HA ILE 50 HA ILE 50 -1.428 -5.882 -1.288 324 HB ILE 50 HB ILE 50 -3.569 -5.018 -3.232 325 HG12 ILE 50 1HG1 ILE 50 -2.025 -3.331 -1.251 326 HG13 ILE 50 2HG1 ILE 50 -1.773 -3.318 -2.993 327 HG21 ILE 50 1HG2 ILE 50 -4.714 -4.356 -1.082 328 HG22 ILE 50 2HG2 ILE 50 -4.553 -6.089 -1.366 329 HG23 ILE 50 3HG2 ILE 50 -3.469 -5.276 -0.237 330 HD11 ILE 50 1HD1 ILE 50 -4.533 -2.883 -2.478 331 HD12 ILE 50 2HD1 ILE 50 -3.584 -1.788 -1.472 332 HD13 ILE 50 3HD1 ILE 50 -3.356 -1.800 -3.221 333 H LEU 51 H LEU 51 -2.264 -7.752 -0.572 334 HA LEU 51 HA LEU 51 -3.286 -9.649 -2.582 335 HB2 LEU 51 1HB LEU 51 -1.759 -10.216 -0.046 336 HB3 LEU 51 2HB LEU 51 -2.450 -11.443 -1.105 337 HG LEU 51 HG LEU 51 -0.109 -9.631 -1.618 338 HD11 LEU 51 1HD1 LEU 51 0.716 -11.535 -0.655 339 HD12 LEU 51 2HD1 LEU 51 0.729 -12.008 -2.353 340 HD13 LEU 51 3HD1 LEU 51 -0.572 -12.554 -1.296 341 HD21 LEU 51 1HD2 LEU 51 -1.568 -11.326 -3.643 342 HD22 LEU 51 2HD2 LEU 51 -0.065 -10.441 -3.910 343 HD23 LEU 51 3HD2 LEU 51 -1.562 -9.563 -3.593 344 H ASP 52 H ASP 52 -5.418 -9.807 -2.394 345 HA ASP 52 HA ASP 52 -7.085 -8.978 -0.437 346 HB2 ASP 52 1HB ASP 52 -8.457 -11.172 -1.167 347 HB3 ASP 52 2HB ASP 52 -8.317 -9.746 -2.192 348 HA PRO 53 HA PRO 53 -6.737 -11.442 3.173 349 HB2 PRO 53 1HB PRO 53 -9.323 -11.823 3.906 350 HB3 PRO 53 2HB PRO 53 -8.504 -10.263 4.049 351 HG2 PRO 53 1HG PRO 53 -10.375 -11.233 1.923 352 HG3 PRO 53 2HG PRO 53 -10.313 -9.651 2.722 353 HD2 PRO 53 1HD PRO 53 -9.276 -10.079 0.258 354 HD3 PRO 53 2HD PRO 53 -8.580 -8.908 1.396 355 H GLU 54 H GLU 54 -7.675 -12.763 0.350 356 HA GLU 54 HA GLU 54 -8.353 -15.380 1.502 357 HB2 GLU 54 1HB GLU 54 -8.681 -14.305 -1.302 358 HB3 GLU 54 2HB GLU 54 -9.019 -15.967 -0.841 359 HG2 GLU 54 1HG GLU 54 -10.406 -13.506 0.195 360 HG3 GLU 54 2HG GLU 54 -11.062 -14.688 -0.936 361 H GLY 55 H GLY 55 -5.995 -13.663 -0.408 362 HA2 GLY 55 1HA GLY 55 -3.698 -14.514 -0.266 363 HA3 GLY 55 2HA GLY 55 -4.364 -16.126 -0.481 364 H LYS 56 H LYS 56 -5.255 -13.214 -2.266 365 HA LYS 56 HA LYS 56 -3.965 -14.332 -4.659 366 HB2 LYS 56 1HB LYS 56 -6.701 -13.063 -4.705 367 HB3 LYS 56 2HB LYS 56 -5.888 -13.916 -6.011 368 HG2 LYS 56 1HG LYS 56 -6.593 -15.297 -3.448 369 HG3 LYS 56 2HG LYS 56 -7.761 -15.125 -4.761 370 HD2 LYS 56 1HD LYS 56 -6.421 -16.388 -6.245 371 HD3 LYS 56 2HD LYS 56 -5.021 -16.299 -5.174 372 HE2 LYS 56 1HE LYS 56 -6.022 -17.769 -3.603 373 HE3 LYS 56 2HE LYS 56 -7.591 -17.661 -4.400 374 HZ1 LYS 56 1HZ LYS 56 -6.148 -18.595 -6.397 375 HZ2 LYS 56 2HZ LYS 56 -6.892 -19.611 -5.268 376 HZ3 LYS 56 3HZ LYS 56 -5.248 -19.240 -5.118 377 HA PRO 57 HA PRO 57 -2.401 -10.277 -5.301 378 HB2 PRO 57 1HB PRO 57 -2.138 -10.274 -8.003 379 HB3 PRO 57 2HB PRO 57 -1.070 -11.192 -6.935 380 HG2 PRO 57 1HG PRO 57 -3.431 -12.132 -8.516 381 HG3 PRO 57 2HG PRO 57 -1.851 -12.906 -8.299 382 HD2 PRO 57 1HD PRO 57 -4.049 -13.666 -6.912 383 HD3 PRO 57 2HD PRO 57 -2.412 -13.756 -6.231 384 H LYS 58 H LYS 58 -3.364 -8.351 -5.311 385 HA LYS 58 HA LYS 58 -5.904 -8.053 -6.753 386 HB2 LYS 58 1HB LYS 58 -4.718 -6.477 -4.464 387 HB3 LYS 58 2HB LYS 58 -6.223 -6.059 -5.271 388 HG2 LYS 58 1HG LYS 58 -5.832 -8.763 -4.049 389 HG3 LYS 58 2HG LYS 58 -6.327 -7.379 -3.072 390 HD2 LYS 58 1HD LYS 58 -7.771 -8.216 -5.578 391 HD3 LYS 58 2HD LYS 58 -8.194 -8.828 -3.977 392 HE2 LYS 58 1HE LYS 58 -7.956 -5.889 -4.302 393 HE3 LYS 58 2HE LYS 58 -9.347 -6.676 -5.047 394 HZ1 LYS 58 1HZ LYS 58 -8.810 -7.491 -2.327 395 HZ2 LYS 58 2HZ LYS 58 -10.276 -7.084 -3.066 396 HZ3 LYS 58 3HZ LYS 58 -9.251 -5.866 -2.494 397 H LYS 59 H LYS 59 -6.228 -5.501 -7.201 398 HA LYS 59 HA LYS 59 -3.961 -4.756 -8.923 399 HB2 LYS 59 1HB LYS 59 -6.300 -5.234 -9.896 400 HB3 LYS 59 2HB LYS 59 -6.761 -3.689 -9.193 401 HG2 LYS 59 1HG LYS 59 -5.414 -2.482 -10.628 402 HG3 LYS 59 2HG LYS 59 -4.374 -3.864 -10.979 403 HD2 LYS 59 1HD LYS 59 -5.649 -3.579 -12.924 404 HD3 LYS 59 2HD LYS 59 -6.437 -4.909 -12.072 405 HE2 LYS 59 1HE LYS 59 -8.032 -3.244 -11.112 406 HE3 LYS 59 2HE LYS 59 -7.305 -2.023 -12.156 407 HZ1 LYS 59 1HZ LYS 59 -8.323 -4.520 -13.331 408 HZ2 LYS 59 2HZ LYS 59 -8.165 -2.991 -14.037 409 HZ3 LYS 59 3HZ LYS 59 -9.409 -3.286 -12.930 410 H ALA 60 H ALA 60 -2.789 -3.066 -8.326 411 HA ALA 60 HA ALA 60 -4.071 -0.953 -6.722 412 HB1 ALA 60 1HB ALA 60 -1.229 -1.197 -6.216 413 HB2 ALA 60 2HB ALA 60 -2.579 -1.145 -5.081 414 HB3 ALA 60 3HB ALA 60 -2.102 -2.676 -5.815 415 H ASN 61 H ASN 61 -3.181 1.169 -6.964 416 HA ASN 61 HA ASN 61 -1.716 1.533 -9.495 417 HB2 ASN 61 1HB ASN 61 -3.575 3.594 -8.333 418 HB3 ASN 61 2HB ASN 61 -2.991 3.449 -9.988 419 HD21 ASN 61 1HD2 ASN 61 -5.205 2.199 -7.608 420 HD22 ASN 61 2HD2 ASN 61 -6.234 1.363 -8.716 421 H ILE 62 H ILE 62 -0.164 3.181 -9.601 422 HA ILE 62 HA ILE 62 0.602 4.389 -7.029 423 HB ILE 62 HB ILE 62 2.539 3.215 -9.027 424 HG12 ILE 62 1HG1 ILE 62 2.238 2.201 -6.234 425 HG13 ILE 62 2HG1 ILE 62 1.053 1.702 -7.436 426 HG21 ILE 62 1HG2 ILE 62 3.611 5.030 -8.002 427 HG22 ILE 62 2HG2 ILE 62 2.893 4.677 -6.431 428 HG23 ILE 62 3HG2 ILE 62 4.144 3.620 -7.085 429 HD11 ILE 62 1HD1 ILE 62 3.939 1.050 -7.229 430 HD12 ILE 62 2HD1 ILE 62 2.566 0.016 -7.626 431 HD13 ILE 62 3HD1 ILE 62 3.206 1.133 -8.831 432 H ARG 63 H ARG 63 1.432 6.448 -7.114 433 HA ARG 63 HA ARG 63 1.616 7.701 -9.771 434 HB2 ARG 63 1HB ARG 63 -0.522 8.322 -8.763 435 HB3 ARG 63 2HB ARG 63 0.305 8.870 -7.311 436 HG2 ARG 63 1HG ARG 63 1.484 10.564 -8.711 437 HG3 ARG 63 2HG ARG 63 0.455 10.080 -10.060 438 HD2 ARG 63 1HD ARG 63 -1.501 10.547 -8.451 439 HD3 ARG 63 2HD ARG 63 -0.310 11.424 -7.491 440 HE ARG 63 HE ARG 63 -0.446 13.125 -8.998 441 HH11 ARG 63 1HH1 ARG 63 -1.542 10.200 -10.535 442 HH12 ARG 63 2HH1 ARG 63 -2.008 10.991 -12.004 443 HH21 ARG 63 1HH2 ARG 63 -1.056 14.179 -10.927 444 HH22 ARG 63 2HH2 ARG 63 -1.730 13.254 -12.226 445 H ASP 64 H ASP 64 3.072 9.439 -9.958 446 HA ASP 64 HA ASP 64 5.078 9.542 -7.805 447 HB2 ASP 64 1HB ASP 64 5.350 9.911 -10.789 448 HB3 ASP 64 2HB ASP 64 6.628 10.330 -9.651 449 H ASN 65 H ASN 65 5.099 11.352 -6.663 450 HA ASN 65 HA ASN 65 3.772 13.729 -7.641 451 HB2 ASN 65 1HB ASN 65 4.864 12.808 -5.027 452 HB3 ASN 65 2HB ASN 65 4.740 14.545 -5.291 453 HD21 ASN 65 1HD2 ASN 65 2.952 11.541 -5.146 454 HD22 ASN 65 2HD2 ASN 65 1.408 12.253 -4.840 455 H GLY 66 H GLY 66 7.053 12.668 -6.902 456 HA2 GLY 66 1HA GLY 66 9.005 13.470 -7.916 457 HA3 GLY 66 2HA GLY 66 8.093 14.837 -8.540 458 H ASP 67 H ASP 67 6.992 15.267 -5.753 459 HA ASP 67 HA ASP 67 9.128 17.017 -4.882 460 HB2 ASP 67 1HB ASP 67 6.882 17.913 -4.881 461 HB3 ASP 67 2HB ASP 67 6.314 16.597 -3.858 462 H GLY 68 H GLY 68 9.348 14.050 -4.628 463 HA2 GLY 68 1HA GLY 68 10.542 12.757 -3.108 464 HA3 GLY 68 2HA GLY 68 10.370 14.043 -1.922 465 H THR 69 H THR 69 7.589 12.794 -3.590 466 HA THR 69 HA THR 69 6.897 11.033 -1.372 467 HB THR 69 HB THR 69 4.721 12.062 -1.000 468 HG1 THR 69 1HG THR 69 5.616 13.868 -3.000 469 HG21 THR 69 1HG2 THR 69 6.989 12.913 0.071 470 HG22 THR 69 2HG2 THR 69 5.452 13.709 0.415 471 HG23 THR 69 3HG2 THR 69 6.554 14.395 -0.778 472 H TYR 70 H TYR 70 4.624 10.054 -1.831 473 HA TYR 70 HA TYR 70 4.014 9.805 -4.658 474 HB2 TYR 70 1HB TYR 70 4.767 7.367 -3.036 475 HB3 TYR 70 2HB TYR 70 4.270 7.393 -4.724 476 HD1 TYR 70 1HD TYR 70 6.930 8.601 -2.419 477 HD2 TYR 70 2HD TYR 70 5.865 7.616 -6.419 478 HE1 TYR 70 1HE TYR 70 9.281 8.846 -3.099 479 HE2 TYR 70 2HE TYR 70 8.213 7.858 -7.110 480 HH TYR 70 HH TYR 70 10.767 8.023 -4.919 481 H THR 71 H THR 71 2.051 8.513 -5.035 482 HA THR 71 HA THR 71 0.326 8.303 -2.663 483 HB THR 71 HB THR 71 -0.515 9.520 -5.301 484 HG1 THR 71 1HG THR 71 0.833 10.738 -3.603 485 HG21 THR 71 1HG2 THR 71 -2.630 9.220 -4.665 486 HG22 THR 71 2HG2 THR 71 -2.307 9.965 -3.099 487 HG23 THR 71 3HG2 THR 71 -2.045 8.236 -3.325 488 H VAL 72 H VAL 72 -0.996 6.559 -2.607 489 HA VAL 72 HA VAL 72 -1.234 4.916 -5.033 490 HB VAL 72 HB VAL 72 -0.574 3.855 -2.282 491 HG11 VAL 72 1HG1 VAL 72 -0.915 1.728 -3.028 492 HG12 VAL 72 2HG1 VAL 72 -2.127 2.565 -3.999 493 HG13 VAL 72 3HG1 VAL 72 -0.567 2.142 -4.706 494 HG21 VAL 72 1HG2 VAL 72 1.232 4.969 -3.804 495 HG22 VAL 72 2HG2 VAL 72 1.576 3.436 -3.003 496 HG23 VAL 72 3HG2 VAL 72 1.122 3.458 -4.707 497 H SER 73 H SER 73 -3.214 4.090 -5.392 498 HA SER 73 HA SER 73 -5.195 4.265 -3.220 499 HB2 SER 73 1HB SER 73 -6.871 5.041 -4.776 500 HB3 SER 73 2HB SER 73 -5.465 6.098 -4.909 501 HG SER 73 HG SER 73 -4.931 4.368 -6.659 502 H TYR 74 H TYR 74 -6.801 2.682 -3.181 503 HA TYR 74 HA TYR 74 -6.906 0.631 -5.199 504 HB2 TYR 74 1HB TYR 74 -6.246 -1.221 -3.775 505 HB3 TYR 74 2HB TYR 74 -4.930 -0.056 -3.872 506 HD1 TYR 74 1HD TYR 74 -4.611 1.558 -1.937 507 HD2 TYR 74 2HD TYR 74 -7.142 -1.854 -1.697 508 HE1 TYR 74 1HE TYR 74 -4.530 1.678 0.519 509 HE2 TYR 74 2HE TYR 74 -7.070 -1.742 0.759 510 HH TYR 74 HH TYR 74 -5.028 -0.502 2.484 511 H LEU 75 H LEU 75 -8.510 -1.085 -4.606 512 HA LEU 75 HA LEU 75 -10.526 -0.079 -2.712 513 HB2 LEU 75 1HB LEU 75 -11.314 0.500 -4.891 514 HB3 LEU 75 2HB LEU 75 -10.951 -1.110 -5.509 515 HG LEU 75 HG LEU 75 -12.727 -1.795 -3.647 516 HD11 LEU 75 1HD1 LEU 75 -12.890 0.743 -3.113 517 HD12 LEU 75 2HD1 LEU 75 -14.358 -0.230 -3.189 518 HD13 LEU 75 3HD1 LEU 75 -13.909 0.795 -4.551 519 HD21 LEU 75 1HD2 LEU 75 -12.658 -1.883 -6.304 520 HD22 LEU 75 2HD2 LEU 75 -13.926 -0.671 -6.116 521 HD23 LEU 75 3HD2 LEU 75 -14.114 -2.266 -5.385 522 HA PRO 76 HA PRO 76 -9.669 -4.349 -1.431 523 HB2 PRO 76 1HB PRO 76 -10.550 -3.979 1.110 524 HB3 PRO 76 2HB PRO 76 -8.929 -3.517 0.579 525 HG2 PRO 76 1HG PRO 76 -11.367 -1.814 0.921 526 HG3 PRO 76 2HG PRO 76 -9.690 -1.472 1.384 527 HD2 PRO 76 1HD PRO 76 -10.819 -0.457 -0.859 528 HD3 PRO 76 2HD PRO 76 -9.093 -0.858 -0.756 529 H ASP 77 H ASP 77 -11.450 -4.902 -2.927 530 HA ASP 77 HA ASP 77 -14.139 -4.679 -2.497 531 HB2 ASP 77 1HB ASP 77 -13.195 -5.716 -4.501 532 HB3 ASP 77 2HB ASP 77 -12.672 -7.105 -3.553 533 H MET 78 H MET 78 -12.155 -7.437 -1.398 534 HA MET 78 HA MET 78 -14.274 -8.351 0.338 535 HB2 MET 78 1HB MET 78 -11.472 -9.330 -0.194 536 HB3 MET 78 2HB MET 78 -12.518 -10.065 1.014 537 HG2 MET 78 1HG MET 78 -13.098 -9.857 -1.932 538 HG3 MET 78 2HG MET 78 -12.560 -11.301 -1.078 539 HE1 MET 78 1HE MET 78 -14.609 -11.250 -2.954 540 HE2 MET 78 2HE MET 78 -15.767 -12.343 -2.195 541 HE3 MET 78 3HE MET 78 -16.231 -10.679 -2.558 542 H SER 79 H SER 79 -13.645 -8.960 2.651 543 HA SER 79 HA SER 79 -12.205 -6.692 3.862 544 HB2 SER 79 1HB SER 79 -13.683 -6.987 5.828 545 HB3 SER 79 2HB SER 79 -14.593 -6.614 4.364 546 HG SER 79 HG SER 79 -15.199 -8.503 5.874 547 H GLY 80 H GLY 80 -10.860 -7.080 5.636 548 HA2 GLY 80 1HA GLY 80 -10.350 -9.023 7.290 549 HA3 GLY 80 2HA GLY 80 -9.914 -9.855 5.805 550 H ARG 81 H ARG 81 -7.805 -10.066 6.849 551 HA ARG 81 HA ARG 81 -6.226 -7.675 7.204 552 HB2 ARG 81 1HB ARG 81 -6.077 -9.967 8.474 553 HB3 ARG 81 2HB ARG 81 -5.050 -10.426 7.122 554 HG2 ARG 81 1HG ARG 81 -3.588 -8.509 7.609 555 HG3 ARG 81 2HG ARG 81 -4.600 -8.118 9.001 556 HD2 ARG 81 1HD ARG 81 -2.706 -9.343 9.788 557 HD3 ARG 81 2HD ARG 81 -4.117 -10.394 9.898 558 HE ARG 81 HE ARG 81 -3.144 -11.795 8.374 559 HH11 ARG 81 1HH1 ARG 81 -1.525 -8.715 8.281 560 HH12 ARG 81 2HH1 ARG 81 -0.268 -9.261 7.220 561 HH21 ARG 81 1HH2 ARG 81 -1.496 -12.526 6.977 562 HH22 ARG 81 2HH2 ARG 81 -0.253 -11.428 6.479 563 H TYR 82 H TYR 82 -5.616 -6.613 5.428 564 HA TYR 82 HA TYR 82 -4.979 -8.060 2.987 565 HB2 TYR 82 1HB TYR 82 -5.457 -5.195 3.693 566 HB3 TYR 82 2HB TYR 82 -4.542 -5.566 2.235 567 HD1 TYR 82 2HD TYR 82 -7.811 -5.948 3.903 568 HD2 TYR 82 1HD TYR 82 -5.621 -6.425 0.287 569 HE1 TYR 82 2HE TYR 82 -9.916 -6.307 2.683 570 HE2 TYR 82 1HE TYR 82 -7.720 -6.785 -0.944 571 HH TYR 82 HH TYR 82 -10.611 -7.485 0.519 572 H THR 83 H THR 83 -2.984 -8.238 2.086 573 HA THR 83 HA THR 83 -0.722 -7.463 3.784 574 HB THR 83 HB THR 83 -0.718 -9.380 1.447 575 HG1 THR 83 1HG THR 83 -0.507 -10.268 4.091 576 HG21 THR 83 1HG2 THR 83 1.276 -9.036 3.688 577 HG22 THR 83 2HG2 THR 83 1.466 -8.352 2.073 578 HG23 THR 83 3HG2 THR 83 1.419 -10.101 2.290 579 H ILE 84 H ILE 84 -0.116 -5.435 3.250 580 HA ILE 84 HA ILE 84 0.131 -4.725 0.418 581 HB ILE 84 HB ILE 84 0.401 -2.944 2.842 582 HG12 ILE 84 1HG1 ILE 84 -1.924 -3.111 0.922 583 HG13 ILE 84 2HG1 ILE 84 -1.882 -3.978 2.453 584 HG21 ILE 84 1HG2 ILE 84 1.471 -1.710 1.270 585 HG22 ILE 84 2HG2 ILE 84 0.666 -2.520 -0.072 586 HG23 ILE 84 3HG2 ILE 84 -0.184 -1.275 0.843 587 HD11 ILE 84 1HD1 ILE 84 -1.612 -1.796 3.605 588 HD12 ILE 84 2HD1 ILE 84 -1.845 -1.001 2.048 589 HD13 ILE 84 3HD1 ILE 84 -3.140 -1.975 2.742 590 H THR 85 H THR 85 2.027 -5.353 -0.408 591 HA THR 85 HA THR 85 4.455 -5.137 1.210 592 HB THR 85 HB THR 85 4.170 -6.354 -1.541 593 HG1 THR 85 1HG THR 85 3.172 -7.903 -0.504 594 HG21 THR 85 1HG2 THR 85 6.329 -6.382 0.555 595 HG22 THR 85 2HG2 THR 85 6.448 -5.906 -1.140 596 HG23 THR 85 3HG2 THR 85 6.239 -7.604 -0.713 597 H ILE 86 H ILE 86 5.432 -3.221 1.128 598 HA ILE 86 HA ILE 86 5.488 -1.775 -1.436 599 HB ILE 86 HB ILE 86 5.931 -0.691 1.349 600 HG12 ILE 86 1HG1 ILE 86 3.612 -0.212 -0.531 601 HG13 ILE 86 2HG1 ILE 86 3.577 -1.375 0.790 602 HG21 ILE 86 1HG2 ILE 86 7.162 0.401 -0.593 603 HG22 ILE 86 2HG2 ILE 86 5.574 0.899 -1.174 604 HG23 ILE 86 3HG2 ILE 86 6.148 1.448 0.400 605 HD11 ILE 86 1HD1 ILE 86 2.647 0.356 1.882 606 HD12 ILE 86 2HD1 ILE 86 4.331 0.812 2.137 607 HD13 ILE 86 3HD1 ILE 86 3.402 1.562 0.840 608 H LYS 87 H LYS 87 7.342 -1.743 -2.503 609 HA LYS 87 HA LYS 87 9.857 -1.957 -0.987 610 HB2 LYS 87 1HB LYS 87 9.108 -3.380 -3.544 611 HB3 LYS 87 2HB LYS 87 10.760 -3.262 -2.951 612 HG2 LYS 87 1HG LYS 87 10.079 -4.423 -0.891 613 HG3 LYS 87 2HG LYS 87 8.449 -4.590 -1.548 614 HD2 LYS 87 1HD LYS 87 9.161 -6.055 -3.237 615 HD3 LYS 87 2HD LYS 87 10.856 -5.607 -3.031 616 HE2 LYS 87 1HE LYS 87 10.655 -6.593 -0.688 617 HE3 LYS 87 2HE LYS 87 9.134 -7.296 -1.236 618 HZ1 LYS 87 1HZ LYS 87 11.834 -7.792 -2.363 619 HZ2 LYS 87 2HZ LYS 87 10.401 -8.353 -3.064 620 HZ3 LYS 87 3HZ LYS 87 10.859 -8.894 -1.528 621 H TYR 88 H TYR 88 11.482 -0.617 -1.602 622 HA TYR 88 HA TYR 88 10.899 1.215 -3.833 623 HB2 TYR 88 1HB TYR 88 11.021 2.141 -1.454 624 HB3 TYR 88 2HB TYR 88 12.747 1.807 -1.526 625 HD1 TYR 88 1HD TYR 88 10.026 3.874 -2.880 626 HD2 TYR 88 2HD TYR 88 14.221 3.163 -2.863 627 HE1 TYR 88 1HE TYR 88 10.391 6.040 -3.987 628 HE2 TYR 88 2HE TYR 88 14.598 5.328 -3.969 629 HH TYR 88 HH TYR 88 12.849 7.707 -4.000 630 H GLY 89 H GLY 89 12.178 1.078 -5.549 631 HA2 GLY 89 1HA GLY 89 13.878 0.278 -6.899 632 HA3 GLY 89 2HA GLY 89 14.874 1.130 -5.728 633 H GLY 90 H GLY 90 12.940 -1.714 -4.996 634 HA2 GLY 90 1HA GLY 90 13.608 -3.934 -4.717 635 HA3 GLY 90 2HA GLY 90 15.250 -3.468 -5.138 636 H ASP 91 H ASP 91 13.153 -2.107 -2.631 637 HA ASP 91 HA ASP 91 14.696 -3.396 -0.537 638 HB2 ASP 91 1HB ASP 91 15.818 -1.164 -1.320 639 HB3 ASP 91 2HB ASP 91 14.515 -0.406 -0.410 640 H GLU 92 H GLU 92 13.103 -4.219 0.651 641 HA GLU 92 HA GLU 92 10.514 -3.029 0.830 642 HB2 GLU 92 1HB GLU 92 11.170 -5.524 1.022 643 HB3 GLU 92 2HB GLU 92 11.539 -5.148 2.699 644 HG2 GLU 92 1HG GLU 92 9.275 -4.488 3.114 645 HG3 GLU 92 2HG GLU 92 8.870 -4.649 1.406 646 H ILE 93 H ILE 93 9.843 -1.496 2.170 647 HA ILE 93 HA ILE 93 11.505 -0.161 3.967 648 HB ILE 93 HB ILE 93 9.361 0.807 4.897 649 HG12 ILE 93 1HG1 ILE 93 8.127 -0.867 2.698 650 HG13 ILE 93 2HG1 ILE 93 7.948 -1.175 4.422 651 HG21 ILE 93 1HG2 ILE 93 9.743 0.883 1.907 652 HG22 ILE 93 2HG2 ILE 93 8.873 2.078 2.868 653 HG23 ILE 93 3HG2 ILE 93 10.610 1.864 3.087 654 HD11 ILE 93 1HD1 ILE 93 6.909 1.165 2.854 655 HD12 ILE 93 2HD1 ILE 93 5.985 -0.080 3.693 656 HD13 ILE 93 3HD1 ILE 93 6.915 1.100 4.616 657 HA PRO 94 HA PRO 94 11.456 -2.501 7.682 658 HB2 PRO 94 1HB PRO 94 11.562 -0.528 9.543 659 HB3 PRO 94 2HB PRO 94 12.940 -0.964 8.527 660 HG2 PRO 94 1HG PRO 94 10.991 1.286 8.212 661 HG3 PRO 94 2HG PRO 94 12.753 1.295 8.008 662 HD2 PRO 94 1HD PRO 94 11.044 1.172 5.911 663 HD3 PRO 94 2HD PRO 94 12.639 0.391 5.891 664 H TYR 95 H TYR 95 8.839 -0.792 6.657 665 HA TYR 95 HA TYR 95 7.266 -1.358 9.077 666 HB2 TYR 95 1HB TYR 95 6.453 0.387 6.750 667 HB3 TYR 95 2HB TYR 95 5.672 0.270 8.324 668 HD1 TYR 95 2HD TYR 95 8.062 0.385 10.100 669 HD2 TYR 95 1HD TYR 95 7.066 2.644 6.635 670 HE1 TYR 95 2HE TYR 95 9.440 2.248 10.926 671 HE2 TYR 95 1HE TYR 95 8.442 4.513 7.450 672 HH TYR 95 HH TYR 95 10.562 4.641 9.129 673 H SER 96 H SER 96 7.858 -2.376 5.896 674 HA SER 96 HA SER 96 5.248 -3.648 5.594 675 HB2 SER 96 1HB SER 96 5.790 -2.901 3.500 676 HB3 SER 96 2HB SER 96 7.525 -3.029 3.787 677 HG SER 96 HG SER 96 7.334 -5.281 3.527 678 HA PRO 97 HA PRO 97 4.632 -5.381 4.093 679 HB2 PRO 97 1HB PRO 97 2.982 -7.355 4.961 680 HB3 PRO 97 2HB PRO 97 4.271 -7.629 3.783 681 HG2 PRO 97 1HG PRO 97 4.252 -8.165 6.728 682 HG3 PRO 97 2HG PRO 97 4.874 -9.176 5.411 683 HD2 PRO 97 1HD PRO 97 6.485 -7.648 6.961 684 HD3 PRO 97 2HD PRO 97 6.838 -7.980 5.254 685 H PHE 98 H PHE 98 2.839 -4.157 4.436 686 HA PHE 98 HA PHE 98 2.333 -3.284 7.153 687 HB2 PHE 98 1HB PHE 98 1.667 -2.298 4.430 688 HB3 PHE 98 2HB PHE 98 0.561 -1.863 5.729 689 HD1 PHE 98 2HD PHE 98 2.001 -1.174 7.977 690 HD2 PHE 98 1HD PHE 98 3.185 -0.672 3.919 691 HE1 PHE 98 2HE PHE 98 3.505 0.654 8.645 692 HE2 PHE 98 1HE PHE 98 4.693 1.156 4.582 693 HZ PHE 98 HZ PHE 98 4.853 1.822 6.947 694 H ARG 99 H ARG 99 1.084 -4.594 8.335 695 HA ARG 99 HA ARG 99 -1.032 -6.157 7.177 696 HB2 ARG 99 1HB ARG 99 -1.474 -6.784 9.580 697 HB3 ARG 99 2HB ARG 99 0.142 -7.152 8.993 698 HG2 ARG 99 1HG ARG 99 1.025 -5.191 10.112 699 HG3 ARG 99 2HG ARG 99 -0.596 -4.750 10.651 700 HD2 ARG 99 1HD ARG 99 0.615 -7.409 11.332 701 HD3 ARG 99 2HD ARG 99 0.943 -5.975 12.303 702 HE ARG 99 HE ARG 99 -1.853 -6.407 11.888 703 HH11 ARG 99 1HH1 ARG 99 0.895 -7.338 13.811 704 HH12 ARG 99 2HH1 ARG 99 -0.057 -7.810 15.180 705 HH21 ARG 99 1HH2 ARG 99 -3.118 -7.025 13.683 706 HH22 ARG 99 2HH2 ARG 99 -2.340 -7.632 15.105 707 H ILE 100 H ILE 100 -2.819 -5.138 6.525 708 HA ILE 100 HA ILE 100 -4.001 -3.121 8.320 709 HB ILE 100 HB ILE 100 -4.477 -3.351 5.350 710 HG12 ILE 100 1HG1 ILE 100 -2.128 -2.764 5.815 711 HG13 ILE 100 2HG1 ILE 100 -3.003 -1.417 5.096 712 HG21 ILE 100 1HG2 ILE 100 -6.307 -2.264 6.346 713 HG22 ILE 100 2HG2 ILE 100 -5.273 -1.357 7.449 714 HG23 ILE 100 3HG2 ILE 100 -5.283 -0.967 5.729 715 HD11 ILE 100 1HD1 ILE 100 -2.585 -0.113 6.839 716 HD12 ILE 100 2HD1 ILE 100 -3.106 -1.349 7.984 717 HD13 ILE 100 3HD1 ILE 100 -1.451 -1.353 7.375 718 H HIS 101 H HIS 101 -6.202 -3.199 8.743 719 HA HIS 101 HA HIS 101 -7.533 -5.712 7.970 720 HB2 HIS 101 1HB HIS 101 -6.920 -5.104 10.476 721 HB3 HIS 101 2HB HIS 101 -8.408 -4.168 10.372 722 HD1 HIS 101 1HD HIS 101 -7.367 -7.277 11.538 723 HD2 HIS 101 2HD HIS 101 -10.521 -6.079 9.114 724 HE1 HIS 101 1HE HIS 101 -9.059 -9.133 11.670 725 HE2 HIS 101 2HE HIS 101 -10.920 -8.425 10.129 726 H ALA 102 H ALA 102 -9.196 -5.484 6.642 727 HA ALA 102 HA ALA 102 -10.463 -2.861 6.370 728 HB1 ALA 102 1HB ALA 102 -10.710 -5.307 4.623 729 HB2 ALA 102 2HB ALA 102 -11.374 -3.709 4.280 730 HB3 ALA 102 3HB ALA 102 -9.627 -3.944 4.337 731 H LEU 103 H LEU 103 -12.251 -2.484 7.489 732 HA LEU 103 HA LEU 103 -13.899 -4.721 8.389 733 HB2 LEU 103 1HB LEU 103 -14.160 -1.802 9.080 734 HB3 LEU 103 2HB LEU 103 -14.930 -3.162 9.895 735 HG LEU 103 HG LEU 103 -11.944 -2.794 9.838 736 HD11 LEU 103 1HD1 LEU 103 -13.695 -1.982 12.130 737 HD12 LEU 103 2HD1 LEU 103 -13.261 -0.843 10.856 738 HD13 LEU 103 3HD1 LEU 103 -12.000 -1.594 11.833 739 HD21 LEU 103 1HD2 LEU 103 -11.845 -4.518 11.306 740 HD22 LEU 103 2HD2 LEU 103 -13.335 -4.979 10.481 741 HD23 LEU 103 3HD2 LEU 103 -13.408 -4.139 12.031 742 HA PRO 104 HA PRO 104 -16.948 -4.044 5.274 743 HB2 PRO 104 1HB PRO 104 -19.015 -5.339 6.466 744 HB3 PRO 104 2HB PRO 104 -17.652 -6.185 5.723 745 HG2 PRO 104 1HG PRO 104 -18.146 -5.558 8.608 746 HG3 PRO 104 2HG PRO 104 -17.544 -7.056 7.876 747 HD2 PRO 104 1HD PRO 104 -15.905 -5.249 9.050 748 HD3 PRO 104 2HD PRO 104 -15.398 -6.242 7.669 749 H THR 105 H THR 105 -17.659 -2.000 5.068 750 HA THR 105 HA THR 105 -19.955 -1.149 6.561 751 HB THR 105 HB THR 105 -18.591 -0.312 8.230 752 HG1 THR 105 1HG THR 105 -19.359 1.633 7.961 753 HG21 THR 105 1HG2 THR 105 -16.589 0.497 6.117 754 HG22 THR 105 2HG2 THR 105 -16.451 -0.885 7.204 755 HG23 THR 105 3HG2 THR 105 -16.410 0.754 7.852 756 H GLY 106 H GLY 106 -21.109 0.440 5.511 757 HA2 GLY 106 1HA GLY 106 -20.451 2.401 3.824 758 HA3 GLY 106 2HA GLY 106 -20.248 0.997 2.788 759 H ASP 107 H ASP 107 -22.659 2.131 5.162 760 HA ASP 107 HA ASP 107 -24.812 0.987 3.638 761 HB2 ASP 107 1HB ASP 107 -26.208 1.582 5.416 762 HB3 ASP 107 2HB ASP 107 -24.660 1.290 6.205 763 H ALA 108 H ALA 108 -23.638 4.258 4.328 764 HA ALA 108 HA ALA 108 -25.669 5.490 2.693 765 HB1 ALA 108 1HB ALA 108 -24.241 7.564 3.117 766 HB2 ALA 108 2HB ALA 108 -25.002 6.801 4.514 767 HB3 ALA 108 3HB ALA 108 -23.288 6.537 4.190 768 H SER 109 H SER 109 -22.203 4.815 2.429 769 HA SER 109 HA SER 109 -22.256 5.748 -0.355 770 HB2 SER 109 1HB SER 109 -19.789 5.706 -0.212 771 HB3 SER 109 2HB SER 109 -20.498 6.723 1.042 772 HG SER 109 HG SER 109 -19.797 4.014 1.473 773 H SER 110 H SER 110 -21.737 4.425 -2.052 774 HA SER 110 HA SER 110 -21.966 1.577 -1.546 775 HB2 SER 110 1HB SER 110 -23.264 2.655 -3.369 776 HB3 SER 110 2HB SER 110 -21.750 3.049 -4.183 777 HG SER 110 HG SER 110 -22.165 0.392 -3.452 778 H GLY 111 H GLY 111 -19.793 3.548 -3.587 779 HA2 GLY 111 1HA GLY 111 -17.390 3.435 -3.288 780 HA3 GLY 111 2HA GLY 111 -17.588 1.768 -2.769 781 HA PRO 112 HA PRO 112 -16.445 0.601 -6.857 782 HB2 PRO 112 1HB PRO 112 -17.287 -1.979 -6.779 783 HB3 PRO 112 2HB PRO 112 -15.835 -1.416 -5.943 784 HG2 PRO 112 1HG PRO 112 -18.581 -1.901 -4.853 785 HG3 PRO 112 2HG PRO 112 -17.008 -2.325 -4.152 786 HD2 PRO 112 1HD PRO 112 -18.424 -0.161 -3.350 787 HD3 PRO 112 2HD PRO 112 -16.649 -0.194 -3.351 788 H SER 113 H SER 113 -17.759 1.727 -8.254 789 HA SER 113 HA SER 113 -20.525 1.472 -8.519 790 HB2 SER 113 1HB SER 113 -20.320 2.706 -10.536 791 HB3 SER 113 2HB SER 113 -19.000 3.268 -9.510 792 HG SER 113 HG SER 113 -17.826 1.439 -10.709 793 H SER 114 H SER 114 -21.759 -0.120 -9.244 794 HA SER 114 HA SER 114 -20.635 -2.503 -10.336 795 HB2 SER 114 1HB SER 114 -23.471 -1.578 -9.879 796 HB3 SER 114 2HB SER 114 -23.098 -3.134 -10.620 797 HG SER 114 HG SER 114 -21.945 -3.678 -8.732 798 H GLY 115 H GLY 115 -19.576 -1.656 -12.227 799 HA2 GLY 115 1HA GLY 115 -20.376 -2.239 -14.633 800 HA3 GLY 115 2HA GLY 115 -21.365 -0.806 -14.396 Start of MODEL 13 1 H1 GLY 1 H GLY 1 22.072 -6.748 -12.300 2 HA2 GLY 1 1HA GLY 1 20.175 -8.288 -13.563 3 HA3 GLY 1 2HA GLY 1 19.569 -8.079 -11.926 4 H SER 2 H SER 2 17.781 -6.895 -12.673 5 HA SER 2 HA SER 2 18.098 -4.527 -14.243 6 HB2 SER 2 1HB SER 2 15.770 -5.600 -12.638 7 HB3 SER 2 2HB SER 2 15.685 -4.138 -13.621 8 HG SER 2 HG SER 2 15.911 -5.325 -15.432 9 H SER 3 H SER 3 17.103 -5.031 -10.853 10 HA SER 3 HA SER 3 17.236 -2.303 -10.147 11 HB2 SER 3 1HB SER 3 17.115 -4.872 -8.610 12 HB3 SER 3 2HB SER 3 17.447 -3.367 -7.754 13 HG SER 3 HG SER 3 15.314 -3.390 -9.548 14 H GLY 4 H GLY 4 19.477 -4.980 -9.399 15 HA2 GLY 4 1HA GLY 4 21.867 -4.611 -9.778 16 HA3 GLY 4 2HA GLY 4 21.628 -2.963 -9.216 17 H SER 5 H SER 5 23.418 -5.160 -8.280 18 HA SER 5 HA SER 5 22.511 -6.144 -5.800 19 HB2 SER 5 1HB SER 5 25.307 -5.681 -6.856 20 HB3 SER 5 2HB SER 5 24.962 -6.504 -5.335 21 HG SER 5 HG SER 5 23.920 -7.312 -7.846 22 H SER 6 H SER 6 24.729 -3.443 -6.511 23 HA SER 6 HA SER 6 24.184 -2.386 -3.822 24 HB2 SER 6 1HB SER 6 26.483 -1.921 -5.728 25 HB3 SER 6 2HB SER 6 26.242 -0.978 -4.258 26 HG SER 6 HG SER 6 27.621 -3.038 -4.283 27 H GLY 7 H GLY 7 23.388 -0.347 -3.524 28 HA2 GLY 7 1HA GLY 7 23.026 1.394 -5.844 29 HA3 GLY 7 2HA GLY 7 21.571 0.835 -5.031 30 H ALA 8 H ALA 8 21.448 3.310 -4.925 31 HA ALA 8 HA ALA 8 22.638 4.164 -2.368 32 HB1 ALA 8 1HB ALA 8 23.610 5.256 -4.456 33 HB2 ALA 8 2HB ALA 8 22.055 6.074 -4.610 34 HB3 ALA 8 3HB ALA 8 23.046 6.328 -3.174 35 H HIS 9 H HIS 9 20.162 2.902 -2.542 36 HA HIS 9 HA HIS 9 18.286 5.127 -2.074 37 HB2 HIS 9 1HB HIS 9 16.490 3.400 -2.524 38 HB3 HIS 9 2HB HIS 9 17.466 3.860 -3.916 39 HD1 HIS 9 1HD HIS 9 19.109 2.077 -4.852 40 HD2 HIS 9 2HD HIS 9 16.735 0.745 -1.713 41 HE1 HIS 9 1HE HIS 9 19.344 -0.427 -4.846 42 HE2 HIS 9 2HE HIS 9 17.833 -1.216 -2.993 43 H ASP 10 H ASP 10 16.957 5.056 -0.258 44 HA ASP 10 HA ASP 10 17.610 2.986 1.731 45 HB2 ASP 10 1HB ASP 10 17.334 5.963 2.179 46 HB3 ASP 10 2HB ASP 10 17.388 4.775 3.479 47 H ALA 11 H ALA 11 15.750 1.811 1.467 48 HA ALA 11 HA ALA 11 13.170 2.823 1.123 49 HB1 ALA 11 1HB ALA 11 13.980 0.435 0.815 50 HB2 ALA 11 2HB ALA 11 13.769 0.251 2.557 51 HB3 ALA 11 3HB ALA 11 12.385 0.645 1.538 52 H SER 12 H SER 12 15.094 2.400 4.000 53 HA SER 12 HA SER 12 13.061 2.493 5.931 54 HB2 SER 12 1HB SER 12 15.632 2.017 6.157 55 HB3 SER 12 2HB SER 12 15.735 3.755 6.436 56 HG SER 12 HG SER 12 15.291 2.080 8.260 57 H LYS 13 H LYS 13 14.575 4.983 4.031 58 HA LYS 13 HA LYS 13 13.695 7.185 5.626 59 HB2 LYS 13 1HB LYS 13 14.599 7.074 2.742 60 HB3 LYS 13 2HB LYS 13 14.333 8.553 3.656 61 HG2 LYS 13 1HG LYS 13 16.302 6.440 4.488 62 HG3 LYS 13 2HG LYS 13 16.721 7.807 3.453 63 HD2 LYS 13 1HD LYS 13 16.087 9.365 5.192 64 HD3 LYS 13 2HD LYS 13 15.529 8.040 6.216 65 HE2 LYS 13 1HE LYS 13 18.336 7.988 5.230 66 HE3 LYS 13 2HE LYS 13 17.923 9.115 6.520 67 HZ1 LYS 13 1HZ LYS 13 17.292 7.373 7.927 68 HZ2 LYS 13 2HZ LYS 13 18.727 6.836 7.210 69 HZ3 LYS 13 3HZ LYS 13 17.238 6.241 6.671 70 H VAL 14 H VAL 14 11.915 5.010 4.045 71 HA VAL 14 HA VAL 14 10.039 6.834 2.774 72 HB VAL 14 HB VAL 14 10.015 3.828 3.063 73 HG11 VAL 14 1HG1 VAL 14 7.789 4.087 2.814 74 HG12 VAL 14 2HG1 VAL 14 7.943 5.724 2.173 75 HG13 VAL 14 3HG1 VAL 14 8.215 4.335 1.121 76 HG21 VAL 14 1HG2 VAL 14 10.220 5.324 0.486 77 HG22 VAL 14 2HG2 VAL 14 11.654 5.113 1.491 78 HG23 VAL 14 3HG2 VAL 14 10.783 3.702 0.891 79 H ARG 15 H ARG 15 8.538 7.827 3.935 80 HA ARG 15 HA ARG 15 7.591 6.566 6.415 81 HB2 ARG 15 1HB ARG 15 7.931 9.383 5.523 82 HB3 ARG 15 2HB ARG 15 6.592 9.038 6.609 83 HG2 ARG 15 1HG ARG 15 9.276 7.990 7.324 84 HG3 ARG 15 2HG ARG 15 8.971 9.718 7.510 85 HD2 ARG 15 1HD ARG 15 7.000 7.752 8.585 86 HD3 ARG 15 2HD ARG 15 8.489 8.062 9.478 87 HE ARG 15 HE ARG 15 6.234 9.822 9.201 88 HH11 ARG 15 1HH1 ARG 15 9.654 9.626 9.824 89 HH12 ARG 15 2HH1 ARG 15 9.715 11.127 10.687 90 HH21 ARG 15 1HH2 ARG 15 6.302 11.800 10.335 91 HH22 ARG 15 2HH2 ARG 15 7.807 12.362 10.978 92 H ALA 16 H ALA 16 5.579 5.813 6.548 93 HA ALA 16 HA ALA 16 3.759 6.307 4.306 94 HB1 ALA 16 1HB ALA 16 3.292 4.147 4.475 95 HB2 ALA 16 2HB ALA 16 4.399 4.013 5.842 96 HB3 ALA 16 3HB ALA 16 2.699 4.392 6.119 97 H SER 17 H SER 17 1.658 7.035 4.588 98 HA SER 17 HA SER 17 0.455 7.515 7.102 99 HB2 SER 17 1HB SER 17 0.556 9.978 7.128 100 HB3 SER 17 2HB SER 17 2.164 9.268 7.274 101 HG SER 17 HG SER 17 1.227 9.881 4.716 102 H GLY 18 H GLY 18 -1.611 7.225 6.613 103 HA2 GLY 18 1HA GLY 18 -3.166 8.848 5.025 104 HA3 GLY 18 2HA GLY 18 -2.619 7.561 3.960 105 HA PRO 19 HA PRO 19 -6.502 6.301 6.298 106 HB2 PRO 19 1HB PRO 19 -8.077 5.967 4.113 107 HB3 PRO 19 2HB PRO 19 -7.934 7.508 4.967 108 HG2 PRO 19 1HG PRO 19 -6.577 6.600 2.458 109 HG3 PRO 19 2HG PRO 19 -7.310 8.171 2.827 110 HD2 PRO 19 1HD PRO 19 -4.639 7.747 2.947 111 HD3 PRO 19 2HD PRO 19 -5.473 8.891 4.018 112 H GLY 20 H GLY 20 -5.314 5.142 3.142 113 HA2 GLY 20 1HA GLY 20 -6.266 2.522 3.315 114 HA3 GLY 20 2HA GLY 20 -4.868 3.025 2.377 115 H LEU 21 H LEU 21 -3.684 4.030 5.017 116 HA LEU 21 HA LEU 21 -2.605 1.419 5.822 117 HB2 LEU 21 1HB LEU 21 -1.460 4.174 6.255 118 HB3 LEU 21 2HB LEU 21 -0.680 2.647 6.660 119 HG LEU 21 HG LEU 21 -1.396 3.430 3.842 120 HD11 LEU 21 1HD1 LEU 21 0.777 4.354 5.548 121 HD12 LEU 21 2HD1 LEU 21 0.210 4.971 3.997 122 HD13 LEU 21 3HD1 LEU 21 1.332 3.612 4.048 123 HD21 LEU 21 1HD2 LEU 21 -0.647 1.008 4.945 124 HD22 LEU 21 2HD2 LEU 21 0.856 1.655 4.287 125 HD23 LEU 21 3HD2 LEU 21 -0.552 1.457 3.242 126 H ASN 22 H ASN 22 -5.133 2.486 6.804 127 HA ASN 22 HA ASN 22 -4.744 3.494 9.448 128 HB2 ASN 22 1HB ASN 22 -6.813 3.807 8.006 129 HB3 ASN 22 2HB ASN 22 -7.229 2.140 8.395 130 HD21 ASN 22 1HD2 ASN 22 -8.767 2.103 9.854 131 HD22 ASN 22 2HD2 ASN 22 -8.875 3.114 11.250 132 H ALA 23 H ALA 23 -4.104 2.381 11.160 133 HA ALA 23 HA ALA 23 -3.920 -0.482 11.107 134 HB1 ALA 23 1HB ALA 23 -2.464 1.410 12.334 135 HB2 ALA 23 2HB ALA 23 -3.517 0.931 13.666 136 HB3 ALA 23 3HB ALA 23 -2.512 -0.273 12.860 137 H SER 24 H SER 24 -6.131 1.866 12.406 138 HA SER 24 HA SER 24 -7.393 0.157 14.301 139 HB2 SER 24 1HB SER 24 -7.451 2.783 14.028 140 HB3 SER 24 2HB SER 24 -8.860 2.433 13.027 141 HG SER 24 HG SER 24 -9.638 1.191 14.876 142 H GLY 25 H GLY 25 -7.659 0.579 10.883 143 HA2 GLY 25 1HA GLY 25 -8.687 -1.405 9.770 144 HA3 GLY 25 2HA GLY 25 -10.036 -1.179 10.873 145 H ILE 26 H ILE 26 -9.501 -0.990 7.808 146 HA ILE 26 HA ILE 26 -10.755 1.641 7.400 147 HB ILE 26 HB ILE 26 -10.082 1.398 5.025 148 HG12 ILE 26 1HG1 ILE 26 -8.259 -0.839 5.826 149 HG13 ILE 26 2HG1 ILE 26 -9.918 -1.204 5.365 150 HG21 ILE 26 1HG2 ILE 26 -8.688 2.497 6.871 151 HG22 ILE 26 2HG2 ILE 26 -7.660 1.069 6.762 152 HG23 ILE 26 3HG2 ILE 26 -7.880 2.107 5.353 153 HD11 ILE 26 1HD1 ILE 26 -8.513 -1.463 3.455 154 HD12 ILE 26 2HD1 ILE 26 -9.511 -0.028 3.218 155 HD13 ILE 26 3HD1 ILE 26 -7.819 0.141 3.685 156 HA PRO 27 HA PRO 27 -14.552 -0.245 6.236 157 HB2 PRO 27 1HB PRO 27 -15.520 1.657 4.557 158 HB3 PRO 27 2HB PRO 27 -15.460 1.865 6.312 159 HG2 PRO 27 1HG PRO 27 -13.582 2.890 4.217 160 HG3 PRO 27 2HG PRO 27 -14.233 3.723 5.641 161 HD2 PRO 27 1HD PRO 27 -11.741 2.666 5.584 162 HD3 PRO 27 2HD PRO 27 -12.714 2.738 7.068 163 H ALA 28 H ALA 28 -14.455 -2.015 4.983 164 HA ALA 28 HA ALA 28 -13.115 -2.217 2.523 165 HB1 ALA 28 1HB ALA 28 -13.825 -4.397 2.463 166 HB2 ALA 28 2HB ALA 28 -13.991 -4.047 4.184 167 HB3 ALA 28 3HB ALA 28 -15.410 -4.015 3.137 168 H SER 29 H SER 29 -14.261 -2.930 0.462 169 HA SER 29 HA SER 29 -15.516 -2.336 -1.340 170 HB2 SER 29 1HB SER 29 -17.670 -1.832 0.728 171 HB3 SER 29 2HB SER 29 -17.920 -2.099 -0.997 172 HG SER 29 HG SER 29 -18.213 -3.980 0.398 173 H LEU 30 H LEU 30 -13.837 -0.376 -0.674 174 HA LEU 30 HA LEU 30 -15.183 1.967 -1.618 175 HB2 LEU 30 1HB LEU 30 -15.728 2.104 0.760 176 HB3 LEU 30 2HB LEU 30 -14.015 1.999 1.162 177 HG LEU 30 HG LEU 30 -13.952 4.174 -0.395 178 HD11 LEU 30 1HD1 LEU 30 -16.266 4.289 -0.918 179 HD12 LEU 30 2HD1 LEU 30 -15.934 5.573 0.243 180 HD13 LEU 30 3HD1 LEU 30 -16.724 4.088 0.773 181 HD21 LEU 30 1HD2 LEU 30 -13.564 5.354 1.532 182 HD22 LEU 30 2HD2 LEU 30 -13.375 3.702 2.122 183 HD23 LEU 30 3HD2 LEU 30 -14.882 4.574 2.407 184 HA PRO 31 HA PRO 31 -11.128 2.461 -3.291 185 HB2 PRO 31 1HB PRO 31 -11.430 4.977 -4.266 186 HB3 PRO 31 2HB PRO 31 -12.154 3.557 -5.030 187 HG2 PRO 31 1HG PRO 31 -13.405 5.567 -3.199 188 HG3 PRO 31 2HG PRO 31 -14.058 4.844 -4.680 189 HD2 PRO 31 1HD PRO 31 -14.770 3.997 -2.209 190 HD3 PRO 31 2HD PRO 31 -14.688 2.904 -3.606 191 H VAL 32 H VAL 32 -9.663 2.563 -1.641 192 HA VAL 32 HA VAL 32 -9.370 5.148 -0.256 193 HB VAL 32 HB VAL 32 -9.857 3.115 1.166 194 HG11 VAL 32 1HG1 VAL 32 -8.455 1.546 -0.130 195 HG12 VAL 32 2HG1 VAL 32 -7.018 2.387 0.455 196 HG13 VAL 32 3HG1 VAL 32 -8.073 1.545 1.592 197 HG21 VAL 32 1HG2 VAL 32 -8.472 5.311 1.735 198 HG22 VAL 32 2HG2 VAL 32 -8.694 4.011 2.907 199 HG23 VAL 32 3HG2 VAL 32 -7.192 4.125 1.989 200 H GLU 33 H GLU 33 -7.377 6.131 -0.161 201 HA GLU 33 HA GLU 33 -5.120 4.821 -1.485 202 HB2 GLU 33 1HB GLU 33 -4.643 6.927 -2.746 203 HB3 GLU 33 2HB GLU 33 -6.096 6.088 -3.270 204 HG2 GLU 33 1HG GLU 33 -7.486 7.721 -2.515 205 HG3 GLU 33 2HG GLU 33 -6.391 8.211 -1.224 206 H PHE 34 H PHE 34 -3.204 5.223 -0.539 207 HA PHE 34 HA PHE 34 -3.190 7.139 1.689 208 HB2 PHE 34 1HB PHE 34 -1.138 5.810 2.409 209 HB3 PHE 34 2HB PHE 34 -2.683 4.972 2.499 210 HD1 PHE 34 1HD PHE 34 -3.294 3.362 0.665 211 HD2 PHE 34 2HD PHE 34 0.619 4.979 1.104 212 HE1 PHE 34 1HE PHE 34 -2.391 1.547 -0.730 213 HE2 PHE 34 2HE PHE 34 1.528 3.167 -0.291 214 HZ PHE 34 HZ PHE 34 0.023 1.449 -1.210 215 H THR 35 H THR 35 -0.639 7.667 2.130 216 HA THR 35 HA THR 35 0.523 8.597 -0.402 217 HB THR 35 HB THR 35 0.114 10.314 2.053 218 HG1 THR 35 1HG THR 35 -1.541 9.887 0.172 219 HG21 THR 35 1HG2 THR 35 2.267 10.431 0.380 220 HG22 THR 35 2HG2 THR 35 1.617 11.801 1.281 221 HG23 THR 35 3HG2 THR 35 1.148 11.548 -0.400 222 H ILE 36 H ILE 36 2.601 8.077 -0.559 223 HA ILE 36 HA ILE 36 4.036 7.275 1.868 224 HB ILE 36 HB ILE 36 4.719 6.772 -1.031 225 HG12 ILE 36 1HG1 ILE 36 2.751 5.517 -0.307 226 HG13 ILE 36 2HG1 ILE 36 4.123 4.434 -0.515 227 HG21 ILE 36 1HG2 ILE 36 6.350 5.134 -0.012 228 HG22 ILE 36 2HG2 ILE 36 6.753 6.840 0.171 229 HG23 ILE 36 3HG2 ILE 36 6.067 5.946 1.528 230 HD11 ILE 36 1HD1 ILE 36 2.495 4.865 1.787 231 HD12 ILE 36 2HD1 ILE 36 3.768 3.673 1.526 232 HD13 ILE 36 3HD1 ILE 36 4.170 5.267 2.164 233 H ASP 37 H ASP 37 4.855 9.126 2.729 234 HA ASP 37 HA ASP 37 6.165 11.094 1.061 235 HB2 ASP 37 1HB ASP 37 4.888 11.917 2.933 236 HB3 ASP 37 2HB ASP 37 5.786 10.896 4.053 237 H ALA 38 H ALA 38 7.984 10.175 0.193 238 HA ALA 38 HA ALA 38 10.098 9.470 2.119 239 HB1 ALA 38 1HB ALA 38 10.675 7.563 1.029 240 HB2 ALA 38 2HB ALA 38 8.958 7.586 0.625 241 HB3 ALA 38 3HB ALA 38 10.146 8.166 -0.542 242 H ARG 39 H ARG 39 11.705 10.881 1.998 243 HA ARG 39 HA ARG 39 12.088 12.430 -0.448 244 HB2 ARG 39 1HB ARG 39 13.381 12.753 2.266 245 HB3 ARG 39 2HB ARG 39 13.518 13.869 0.915 246 HG2 ARG 39 1HG ARG 39 11.884 14.940 2.038 247 HG3 ARG 39 2HG ARG 39 10.859 13.813 1.147 248 HD2 ARG 39 1HD ARG 39 10.146 13.737 3.406 249 HD3 ARG 39 2HD ARG 39 11.054 12.254 3.113 250 HE ARG 39 HE ARG 39 12.587 12.936 4.664 251 HH11 ARG 39 1HH1 ARG 39 10.671 15.674 3.689 252 HH12 ARG 39 2HH1 ARG 39 11.344 16.735 4.882 253 HH21 ARG 39 1HH2 ARG 39 13.481 14.324 6.239 254 HH22 ARG 39 2HH2 ARG 39 12.943 15.966 6.331 255 H ASP 40 H ASP 40 14.155 10.707 1.896 256 HA ASP 40 HA ASP 40 16.221 10.440 -0.149 257 HB2 ASP 40 1HB ASP 40 16.152 10.027 2.826 258 HB3 ASP 40 2HB ASP 40 17.461 9.352 1.860 259 H ALA 41 H ALA 41 13.647 8.931 -0.178 260 HA ALA 41 HA ALA 41 13.982 6.261 0.554 261 HB1 ALA 41 1HB ALA 41 11.882 6.242 -0.156 262 HB2 ALA 41 2HB ALA 41 12.110 7.792 -0.967 263 HB3 ALA 41 3HB ALA 41 12.466 6.290 -1.820 264 H GLY 42 H GLY 42 15.459 8.062 -1.967 265 HA2 GLY 42 1HA GLY 42 17.491 7.012 -2.895 266 HA3 GLY 42 2HA GLY 42 16.533 5.554 -3.103 267 H GLU 43 H GLU 43 17.680 6.103 -5.306 268 HA GLU 43 HA GLU 43 15.832 7.750 -6.904 269 HB2 GLU 43 1HB GLU 43 18.763 7.270 -7.058 270 HB3 GLU 43 2HB GLU 43 17.898 7.462 -8.576 271 HG2 GLU 43 1HG GLU 43 17.253 9.645 -8.072 272 HG3 GLU 43 2HG GLU 43 17.597 9.446 -6.355 273 H GLY 44 H GLY 44 14.364 5.929 -7.003 274 HA2 GLY 44 1HA GLY 44 14.991 4.212 -9.269 275 HA3 GLY 44 2HA GLY 44 14.664 3.388 -7.751 276 H LEU 45 H LEU 45 12.774 2.399 -8.316 277 HA LEU 45 HA LEU 45 10.505 4.194 -8.864 278 HB2 LEU 45 1HB LEU 45 9.622 2.787 -10.458 279 HB3 LEU 45 2HB LEU 45 11.350 2.686 -10.786 280 HG LEU 45 HG LEU 45 11.138 0.578 -9.178 281 HD11 LEU 45 1HD1 LEU 45 8.409 0.837 -10.431 282 HD12 LEU 45 2HD1 LEU 45 8.784 0.846 -8.708 283 HD13 LEU 45 3HD1 LEU 45 9.039 -0.618 -9.658 284 HD21 LEU 45 1HD2 LEU 45 12.008 -0.071 -11.139 285 HD22 LEU 45 2HD2 LEU 45 10.959 0.997 -12.072 286 HD23 LEU 45 3HD2 LEU 45 10.360 -0.569 -11.523 287 H LEU 46 H LEU 46 8.929 4.080 -7.410 288 HA LEU 46 HA LEU 46 9.062 2.210 -5.249 289 HB2 LEU 46 1HB LEU 46 8.321 4.413 -4.760 290 HB3 LEU 46 2HB LEU 46 7.081 4.341 -6.010 291 HG LEU 46 HG LEU 46 6.160 2.381 -4.498 292 HD11 LEU 46 1HD1 LEU 46 7.564 2.141 -2.734 293 HD12 LEU 46 2HD1 LEU 46 6.528 3.403 -2.069 294 HD13 LEU 46 3HD1 LEU 46 8.088 3.825 -2.775 295 HD21 LEU 46 1HD2 LEU 46 5.664 5.196 -4.741 296 HD22 LEU 46 2HD2 LEU 46 5.312 4.661 -3.097 297 HD23 LEU 46 3HD2 LEU 46 4.523 3.880 -4.468 298 H THR 47 H THR 47 7.831 0.441 -4.843 299 HA THR 47 HA THR 47 5.824 -0.302 -6.870 300 HB THR 47 HB THR 47 6.489 -2.645 -6.651 301 HG1 THR 47 1HG THR 47 8.166 -1.567 -4.682 302 HG21 THR 47 1HG2 THR 47 8.851 -0.863 -7.261 303 HG22 THR 47 2HG2 THR 47 7.556 -1.268 -8.387 304 HG23 THR 47 3HG2 THR 47 8.639 -2.529 -7.798 305 H VAL 48 H VAL 48 3.918 -1.082 -6.135 306 HA VAL 48 HA VAL 48 3.678 -1.718 -3.276 307 HB VAL 48 HB VAL 48 1.796 0.071 -4.821 308 HG11 VAL 48 1HG1 VAL 48 1.425 -0.173 -1.935 309 HG12 VAL 48 2HG1 VAL 48 0.236 -0.202 -3.239 310 HG13 VAL 48 3HG1 VAL 48 1.118 -1.669 -2.816 311 HG21 VAL 48 1HG2 VAL 48 3.086 1.736 -4.116 312 HG22 VAL 48 2HG2 VAL 48 2.694 1.292 -2.454 313 HG23 VAL 48 3HG2 VAL 48 4.122 0.613 -3.235 314 H GLN 49 H GLN 49 2.479 -3.475 -2.840 315 HA GLN 49 HA GLN 49 0.661 -4.502 -4.897 316 HB2 GLN 49 1HB GLN 49 2.810 -5.675 -5.163 317 HB3 GLN 49 2HB GLN 49 2.746 -6.168 -3.477 318 HG2 GLN 49 1HG GLN 49 1.934 -8.051 -4.435 319 HG3 GLN 49 2HG GLN 49 0.421 -7.169 -4.232 320 HE21 GLN 49 1HE2 GLN 49 -0.792 -7.686 -5.916 321 HE22 GLN 49 2HE2 GLN 49 -0.305 -7.611 -7.571 322 H ILE 50 H ILE 50 -1.122 -5.581 -4.130 323 HA ILE 50 HA ILE 50 -1.360 -5.828 -1.205 324 HB ILE 50 HB ILE 50 -3.613 -4.970 -3.017 325 HG12 ILE 50 1HG1 ILE 50 -2.067 -3.201 -1.122 326 HG13 ILE 50 2HG1 ILE 50 -1.698 -3.308 -2.839 327 HG21 ILE 50 1HG2 ILE 50 -4.027 -6.160 -0.782 328 HG22 ILE 50 2HG2 ILE 50 -3.455 -4.667 -0.039 329 HG23 ILE 50 3HG2 ILE 50 -4.877 -4.644 -1.082 330 HD11 ILE 50 1HD1 ILE 50 -4.511 -2.797 -2.306 331 HD12 ILE 50 2HD1 ILE 50 -3.436 -1.547 -1.677 332 HD13 ILE 50 3HD1 ILE 50 -3.388 -1.973 -3.388 333 H LEU 51 H LEU 51 -2.110 -7.726 -0.486 334 HA LEU 51 HA LEU 51 -3.209 -9.605 -2.471 335 HB2 LEU 51 1HB LEU 51 -1.612 -10.155 0.025 336 HB3 LEU 51 2HB LEU 51 -2.351 -11.397 -0.984 337 HG LEU 51 HG LEU 51 -0.005 -9.629 -1.595 338 HD11 LEU 51 1HD1 LEU 51 0.772 -11.999 -2.368 339 HD12 LEU 51 2HD1 LEU 51 -0.529 -12.550 -1.314 340 HD13 LEU 51 3HD1 LEU 51 0.783 -11.572 -0.657 341 HD21 LEU 51 1HD2 LEU 51 -1.618 -11.243 -3.568 342 HD22 LEU 51 2HD2 LEU 51 -0.068 -10.466 -3.896 343 HD23 LEU 51 3HD2 LEU 51 -1.486 -9.485 -3.522 344 H ASP 52 H ASP 52 -5.332 -9.805 -2.243 345 HA ASP 52 HA ASP 52 -6.960 -8.974 -0.241 346 HB2 ASP 52 1HB ASP 52 -8.358 -11.146 -0.975 347 HB3 ASP 52 2HB ASP 52 -8.225 -9.710 -1.987 348 HA PRO 53 HA PRO 53 -6.543 -11.494 3.323 349 HB2 PRO 53 1HB PRO 53 -9.114 -11.870 4.109 350 HB3 PRO 53 2HB PRO 53 -8.282 -10.318 4.257 351 HG2 PRO 53 1HG PRO 53 -10.207 -11.243 2.159 352 HG3 PRO 53 2HG PRO 53 -10.117 -9.674 2.981 353 HD2 PRO 53 1HD PRO 53 -9.138 -10.071 0.488 354 HD3 PRO 53 2HD PRO 53 -8.409 -8.922 1.628 355 H GLU 54 H GLU 54 -7.556 -12.765 0.501 356 HA GLU 54 HA GLU 54 -8.227 -15.395 1.628 357 HB2 GLU 54 1HB GLU 54 -8.643 -14.220 -1.120 358 HB3 GLU 54 2HB GLU 54 -8.891 -15.923 -0.760 359 HG2 GLU 54 1HG GLU 54 -10.430 -14.939 1.141 360 HG3 GLU 54 2HG GLU 54 -10.489 -13.558 0.048 361 H GLY 55 H GLY 55 -5.893 -13.665 -0.300 362 HA2 GLY 55 1HA GLY 55 -3.601 -14.537 -0.216 363 HA3 GLY 55 2HA GLY 55 -4.284 -16.139 -0.447 364 H LYS 56 H LYS 56 -5.215 -13.205 -2.168 365 HA LYS 56 HA LYS 56 -3.973 -14.288 -4.604 366 HB2 LYS 56 1HB LYS 56 -6.680 -12.964 -4.605 367 HB3 LYS 56 2HB LYS 56 -5.913 -13.867 -5.905 368 HG2 LYS 56 1HG LYS 56 -6.676 -15.142 -3.297 369 HG3 LYS 56 2HG LYS 56 -7.790 -15.020 -4.661 370 HD2 LYS 56 1HD LYS 56 -6.313 -16.309 -6.052 371 HD3 LYS 56 2HD LYS 56 -5.063 -16.300 -4.807 372 HE2 LYS 56 1HE LYS 56 -6.002 -18.386 -4.514 373 HE3 LYS 56 2HE LYS 56 -6.900 -17.423 -3.342 374 HZ1 LYS 56 1HZ LYS 56 -7.927 -17.801 -6.082 375 HZ2 LYS 56 2HZ LYS 56 -8.777 -17.405 -4.675 376 HZ3 LYS 56 3HZ LYS 56 -8.191 -18.976 -4.894 377 HA PRO 57 HA PRO 57 -2.385 -10.244 -5.243 378 HB2 PRO 57 1HB PRO 57 -2.262 -10.167 -7.954 379 HB3 PRO 57 2HB PRO 57 -1.158 -11.134 -6.970 380 HG2 PRO 57 1HG PRO 57 -3.616 -11.987 -8.450 381 HG3 PRO 57 2HG PRO 57 -2.041 -12.795 -8.337 382 HD2 PRO 57 1HD PRO 57 -4.178 -13.556 -6.859 383 HD3 PRO 57 2HD PRO 57 -2.510 -13.694 -6.267 384 H LYS 58 H LYS 58 -3.199 -8.235 -5.322 385 HA LYS 58 HA LYS 58 -5.860 -7.878 -6.520 386 HB2 LYS 58 1HB LYS 58 -4.439 -6.340 -4.342 387 HB3 LYS 58 2HB LYS 58 -5.975 -5.847 -5.043 388 HG2 LYS 58 1HG LYS 58 -5.534 -8.503 -3.703 389 HG3 LYS 58 2HG LYS 58 -6.141 -7.069 -2.871 390 HD2 LYS 58 1HD LYS 58 -7.437 -8.296 -5.303 391 HD3 LYS 58 2HD LYS 58 -7.923 -8.638 -3.641 392 HE2 LYS 58 1HE LYS 58 -8.068 -6.016 -3.495 393 HE3 LYS 58 2HE LYS 58 -8.236 -6.144 -5.245 394 HZ1 LYS 58 1HZ LYS 58 -9.936 -7.631 -3.321 395 HZ2 LYS 58 2HZ LYS 58 -10.160 -7.490 -4.992 396 HZ3 LYS 58 3HZ LYS 58 -10.369 -6.140 -3.995 397 H LYS 59 H LYS 59 -6.111 -5.294 -6.934 398 HA LYS 59 HA LYS 59 -3.885 -4.568 -8.724 399 HB2 LYS 59 1HB LYS 59 -6.159 -5.274 -9.746 400 HB3 LYS 59 2HB LYS 59 -6.727 -3.706 -9.187 401 HG2 LYS 59 1HG LYS 59 -5.267 -2.547 -10.610 402 HG3 LYS 59 2HG LYS 59 -4.294 -3.986 -10.920 403 HD2 LYS 59 1HD LYS 59 -7.174 -4.056 -11.660 404 HD3 LYS 59 2HD LYS 59 -6.081 -3.103 -12.666 405 HE2 LYS 59 1HE LYS 59 -4.701 -5.028 -13.080 406 HE3 LYS 59 2HE LYS 59 -5.634 -5.994 -11.938 407 HZ1 LYS 59 1HZ LYS 59 -6.158 -6.323 -14.361 408 HZ2 LYS 59 2HZ LYS 59 -6.844 -4.777 -14.351 409 HZ3 LYS 59 3HZ LYS 59 -7.485 -5.993 -13.364 410 H ALA 60 H ALA 60 -2.825 -2.853 -8.001 411 HA ALA 60 HA ALA 60 -4.360 -0.681 -6.733 412 HB1 ALA 60 1HB ALA 60 -3.077 -0.674 -4.907 413 HB2 ALA 60 2HB ALA 60 -2.551 -2.279 -5.416 414 HB3 ALA 60 3HB ALA 60 -1.594 -0.860 -5.842 415 H ASN 61 H ASN 61 -3.394 1.447 -6.922 416 HA ASN 61 HA ASN 61 -1.752 1.694 -9.356 417 HB2 ASN 61 1HB ASN 61 -3.674 3.739 -8.226 418 HB3 ASN 61 2HB ASN 61 -2.824 3.827 -9.766 419 HD21 ASN 61 1HD2 ASN 61 -5.355 2.227 -7.977 420 HD22 ASN 61 2HD2 ASN 61 -6.181 1.577 -9.348 421 H ILE 62 H ILE 62 -0.037 3.134 -9.387 422 HA ILE 62 HA ILE 62 0.694 4.331 -6.796 423 HB ILE 62 HB ILE 62 2.599 3.038 -8.751 424 HG12 ILE 62 1HG1 ILE 62 2.190 2.080 -5.951 425 HG13 ILE 62 2HG1 ILE 62 1.001 1.635 -7.171 426 HG21 ILE 62 1HG2 ILE 62 2.959 4.741 -6.362 427 HG22 ILE 62 2HG2 ILE 62 4.039 3.357 -6.523 428 HG23 ILE 62 3HG2 ILE 62 3.967 4.572 -7.799 429 HD11 ILE 62 1HD1 ILE 62 3.756 0.708 -6.786 430 HD12 ILE 62 2HD1 ILE 62 2.358 -0.118 -7.476 431 HD13 ILE 62 3HD1 ILE 62 3.288 1.014 -8.458 432 H ARG 63 H ARG 63 1.555 6.361 -6.833 433 HA ARG 63 HA ARG 63 2.088 7.590 -9.444 434 HB2 ARG 63 1HB ARG 63 -0.183 8.226 -8.893 435 HB3 ARG 63 2HB ARG 63 0.311 8.730 -7.282 436 HG2 ARG 63 1HG ARG 63 1.563 10.567 -8.173 437 HG3 ARG 63 2HG ARG 63 1.292 10.007 -9.824 438 HD2 ARG 63 1HD ARG 63 -1.001 10.667 -8.008 439 HD3 ARG 63 2HD ARG 63 -0.167 11.927 -8.916 440 HE ARG 63 HE ARG 63 -2.065 10.087 -9.932 441 HH11 ARG 63 1HH1 ARG 63 0.889 11.730 -10.765 442 HH12 ARG 63 2HH1 ARG 63 0.575 11.707 -12.469 443 HH21 ARG 63 1HH2 ARG 63 -2.490 10.049 -12.173 444 HH22 ARG 63 2HH2 ARG 63 -1.348 10.751 -13.268 445 H ASP 64 H ASP 64 3.599 9.257 -9.433 446 HA ASP 64 HA ASP 64 5.131 9.506 -6.930 447 HB2 ASP 64 1HB ASP 64 7.017 10.196 -8.522 448 HB3 ASP 64 2HB ASP 64 6.545 8.499 -8.525 449 H ASN 65 H ASN 65 5.278 11.441 -5.999 450 HA ASN 65 HA ASN 65 3.889 13.683 -7.095 451 HB2 ASN 65 1HB ASN 65 5.364 13.092 -4.578 452 HB3 ASN 65 2HB ASN 65 5.165 14.786 -5.020 453 HD21 ASN 65 1HD2 ASN 65 3.181 11.840 -5.056 454 HD22 ASN 65 2HD2 ASN 65 1.797 12.561 -4.315 455 H GLY 66 H GLY 66 7.301 12.871 -6.588 456 HA2 GLY 66 1HA GLY 66 9.016 13.550 -8.086 457 HA3 GLY 66 2HA GLY 66 8.000 14.890 -8.597 458 H ASP 67 H ASP 67 7.454 15.321 -5.598 459 HA ASP 67 HA ASP 67 9.738 17.095 -5.206 460 HB2 ASP 67 1HB ASP 67 7.847 18.343 -4.803 461 HB3 ASP 67 2HB ASP 67 6.948 16.971 -4.161 462 H GLY 68 H GLY 68 8.630 14.062 -4.177 463 HA2 GLY 68 1HA GLY 68 10.522 12.917 -2.904 464 HA3 GLY 68 2HA GLY 68 10.269 14.198 -1.727 465 H THR 69 H THR 69 7.584 12.802 -3.440 466 HA THR 69 HA THR 69 6.944 10.988 -1.260 467 HB THR 69 HB THR 69 4.743 11.938 -0.834 468 HG1 THR 69 1HG THR 69 3.979 13.624 -1.949 469 HG21 THR 69 1HG2 THR 69 5.413 13.657 0.571 470 HG22 THR 69 2HG2 THR 69 6.604 14.269 -0.577 471 HG23 THR 69 3HG2 THR 69 6.923 12.782 0.315 472 H TYR 70 H TYR 70 4.678 9.978 -1.735 473 HA TYR 70 HA TYR 70 4.105 9.774 -4.581 474 HB2 TYR 70 1HB TYR 70 4.856 7.346 -2.939 475 HB3 TYR 70 2HB TYR 70 4.311 7.335 -4.612 476 HD1 TYR 70 1HD TYR 70 7.022 8.664 -2.428 477 HD2 TYR 70 2HD TYR 70 5.869 7.455 -6.341 478 HE1 TYR 70 1HE TYR 70 9.352 8.897 -3.180 479 HE2 TYR 70 2HE TYR 70 8.196 7.684 -7.104 480 HH TYR 70 HH TYR 70 10.312 8.034 -6.479 481 H THR 71 H THR 71 2.149 8.469 -5.002 482 HA THR 71 HA THR 71 0.366 8.280 -2.672 483 HB THR 71 HB THR 71 -0.336 9.549 -5.325 484 HG1 THR 71 1HG THR 71 0.801 10.681 -3.390 485 HG21 THR 71 1HG2 THR 71 -2.491 10.035 -3.864 486 HG22 THR 71 2HG2 THR 71 -2.002 8.535 -3.076 487 HG23 THR 71 3HG2 THR 71 -2.334 8.555 -4.808 488 H VAL 72 H VAL 72 -1.022 6.573 -2.665 489 HA VAL 72 HA VAL 72 -1.156 4.895 -5.075 490 HB VAL 72 HB VAL 72 -0.655 3.871 -2.277 491 HG11 VAL 72 1HG1 VAL 72 -1.489 1.925 -2.938 492 HG12 VAL 72 2HG1 VAL 72 -1.905 2.627 -4.503 493 HG13 VAL 72 3HG1 VAL 72 -0.328 1.873 -4.265 494 HG21 VAL 72 1HG2 VAL 72 1.522 3.529 -2.822 495 HG22 VAL 72 2HG2 VAL 72 1.170 3.272 -4.531 496 HG23 VAL 72 3HG2 VAL 72 1.214 4.909 -3.876 497 H SER 73 H SER 73 -3.108 3.983 -5.483 498 HA SER 73 HA SER 73 -5.212 4.304 -3.448 499 HB2 SER 73 1HB SER 73 -6.794 4.966 -5.165 500 HB3 SER 73 2HB SER 73 -5.398 6.040 -5.228 501 HG SER 73 HG SER 73 -5.326 3.763 -6.827 502 H TYR 74 H TYR 74 -6.772 2.704 -3.351 503 HA TYR 74 HA TYR 74 -6.828 0.556 -5.270 504 HB2 TYR 74 1HB TYR 74 -6.182 -1.220 -3.759 505 HB3 TYR 74 2HB TYR 74 -4.878 -0.040 -3.847 506 HD1 TYR 74 1HD TYR 74 -4.559 1.572 -1.954 507 HD2 TYR 74 2HD TYR 74 -7.245 -1.718 -1.702 508 HE1 TYR 74 1HE TYR 74 -4.575 1.780 0.497 509 HE2 TYR 74 2HE TYR 74 -7.269 -1.519 0.749 510 HH TYR 74 HH TYR 74 -5.217 0.831 2.422 511 H LEU 75 H LEU 75 -8.437 -1.139 -4.620 512 HA LEU 75 HA LEU 75 -10.492 -0.062 -2.813 513 HB2 LEU 75 1HB LEU 75 -11.241 0.461 -5.017 514 HB3 LEU 75 2HB LEU 75 -10.866 -1.164 -5.589 515 HG LEU 75 HG LEU 75 -12.676 -1.830 -3.774 516 HD11 LEU 75 1HD1 LEU 75 -14.065 0.605 -4.638 517 HD12 LEU 75 2HD1 LEU 75 -12.784 0.859 -3.453 518 HD13 LEU 75 3HD1 LEU 75 -14.110 -0.246 -3.094 519 HD21 LEU 75 1HD2 LEU 75 -13.946 -2.363 -5.548 520 HD22 LEU 75 2HD2 LEU 75 -12.576 -1.763 -6.483 521 HD23 LEU 75 3HD2 LEU 75 -13.958 -0.712 -6.168 522 HA PRO 76 HA PRO 76 -9.673 -4.300 -1.401 523 HB2 PRO 76 1HB PRO 76 -10.594 -3.857 1.114 524 HB3 PRO 76 2HB PRO 76 -8.962 -3.416 0.597 525 HG2 PRO 76 1HG PRO 76 -11.398 -1.695 0.852 526 HG3 PRO 76 2HG PRO 76 -9.727 -1.347 1.333 527 HD2 PRO 76 1HD PRO 76 -10.814 -0.389 -0.954 528 HD3 PRO 76 2HD PRO 76 -9.092 -0.795 -0.813 529 H ASP 77 H ASP 77 -11.399 -4.970 -2.870 530 HA ASP 77 HA ASP 77 -14.120 -4.699 -2.425 531 HB2 ASP 77 1HB ASP 77 -13.322 -5.628 -4.494 532 HB3 ASP 77 2HB ASP 77 -12.575 -6.985 -3.657 533 H MET 78 H MET 78 -11.990 -7.343 -1.341 534 HA MET 78 HA MET 78 -14.084 -8.487 0.283 535 HB2 MET 78 1HB MET 78 -11.174 -9.173 -0.114 536 HB3 MET 78 2HB MET 78 -12.206 -10.031 1.023 537 HG2 MET 78 1HG MET 78 -12.561 -9.853 -1.959 538 HG3 MET 78 2HG MET 78 -12.065 -11.265 -1.029 539 HE1 MET 78 1HE MET 78 -13.885 -12.375 -2.585 540 HE2 MET 78 2HE MET 78 -13.895 -13.171 -1.011 541 HE3 MET 78 3HE MET 78 -15.418 -12.770 -1.806 542 H SER 79 H SER 79 -13.538 -9.052 2.616 543 HA SER 79 HA SER 79 -12.326 -6.703 3.922 544 HB2 SER 79 1HB SER 79 -13.926 -7.166 5.809 545 HB3 SER 79 2HB SER 79 -14.701 -6.659 4.309 546 HG SER 79 HG SER 79 -15.110 -8.883 5.698 547 H GLY 80 H GLY 80 -11.012 -7.025 5.699 548 HA2 GLY 80 1HA GLY 80 -10.527 -8.890 7.444 549 HA3 GLY 80 2HA GLY 80 -10.040 -9.780 6.009 550 H ARG 81 H ARG 81 -7.936 -9.957 6.965 551 HA ARG 81 HA ARG 81 -6.394 -7.533 7.337 552 HB2 ARG 81 1HB ARG 81 -6.162 -9.600 8.779 553 HB3 ARG 81 2HB ARG 81 -5.395 -10.380 7.402 554 HG2 ARG 81 1HG ARG 81 -3.844 -8.255 7.488 555 HG3 ARG 81 2HG ARG 81 -4.382 -8.219 9.169 556 HD2 ARG 81 1HD ARG 81 -3.264 -10.691 7.872 557 HD3 ARG 81 2HD ARG 81 -2.246 -9.501 8.683 558 HE ARG 81 HE ARG 81 -4.245 -10.180 10.471 559 HH11 ARG 81 1HH1 ARG 81 -1.642 -11.778 8.800 560 HH12 ARG 81 2HH1 ARG 81 -1.395 -12.959 10.043 561 HH21 ARG 81 1HH2 ARG 81 -3.930 -11.730 12.115 562 HH22 ARG 81 2HH2 ARG 81 -2.698 -12.932 11.928 563 H TYR 82 H TYR 82 -5.677 -6.502 5.593 564 HA TYR 82 HA TYR 82 -5.030 -7.986 3.171 565 HB2 TYR 82 1HB TYR 82 -5.525 -5.115 3.828 566 HB3 TYR 82 2HB TYR 82 -4.567 -5.497 2.402 567 HD1 TYR 82 1HD TYR 82 -5.576 -6.702 0.513 568 HD2 TYR 82 2HD TYR 82 -7.889 -5.551 3.893 569 HE1 TYR 82 1HE TYR 82 -7.636 -7.082 -0.776 570 HE2 TYR 82 2HE TYR 82 -9.956 -5.929 2.614 571 HH TYR 82 HH TYR 82 -10.003 -7.563 -0.364 572 H THR 83 H THR 83 -3.020 -8.130 2.271 573 HA THR 83 HA THR 83 -0.784 -7.284 3.985 574 HB THR 83 HB THR 83 -0.636 -9.347 1.790 575 HG1 THR 83 1HG THR 83 -1.569 -9.557 4.430 576 HG21 THR 83 1HG2 THR 83 1.475 -9.740 2.491 577 HG22 THR 83 2HG2 THR 83 1.064 -9.505 4.190 578 HG23 THR 83 3HG2 THR 83 1.357 -8.110 3.151 579 H ILE 84 H ILE 84 -0.104 -5.338 3.298 580 HA ILE 84 HA ILE 84 0.143 -4.846 0.420 581 HB ILE 84 HB ILE 84 0.599 -2.838 2.619 582 HG12 ILE 84 1HG1 ILE 84 -1.985 -3.322 1.124 583 HG13 ILE 84 2HG1 ILE 84 -1.679 -3.883 2.764 584 HG21 ILE 84 1HG2 ILE 84 0.244 -1.201 0.908 585 HG22 ILE 84 2HG2 ILE 84 1.444 -2.355 0.326 586 HG23 ILE 84 3HG2 ILE 84 -0.219 -2.444 -0.254 587 HD11 ILE 84 1HD1 ILE 84 -1.470 -0.991 2.007 588 HD12 ILE 84 2HD1 ILE 84 -2.992 -1.735 2.500 589 HD13 ILE 84 3HD1 ILE 84 -1.625 -1.702 3.613 590 H THR 85 H THR 85 2.032 -5.247 -0.501 591 HA THR 85 HA THR 85 4.470 -5.154 1.134 592 HB THR 85 HB THR 85 4.165 -6.355 -1.622 593 HG1 THR 85 1HG THR 85 4.299 -8.352 -0.157 594 HG21 THR 85 1HG2 THR 85 6.459 -5.683 -0.585 595 HG22 THR 85 2HG2 THR 85 6.276 -7.270 -1.332 596 HG23 THR 85 3HG2 THR 85 6.217 -7.109 0.423 597 H ILE 86 H ILE 86 5.513 -3.278 1.038 598 HA ILE 86 HA ILE 86 5.578 -1.831 -1.527 599 HB ILE 86 HB ILE 86 6.033 -0.714 1.242 600 HG12 ILE 86 1HG1 ILE 86 3.673 -0.284 -0.598 601 HG13 ILE 86 2HG1 ILE 86 3.675 -1.432 0.736 602 HG21 ILE 86 1HG2 ILE 86 6.307 1.380 0.286 603 HG22 ILE 86 2HG2 ILE 86 7.174 0.327 -0.831 604 HG23 ILE 86 3HG2 ILE 86 5.553 0.895 -1.234 605 HD11 ILE 86 1HD1 ILE 86 3.812 1.558 0.851 606 HD12 ILE 86 2HD1 ILE 86 2.608 0.479 1.556 607 HD13 ILE 86 3HD1 ILE 86 4.238 0.542 2.227 608 H LYS 87 H LYS 87 7.448 -1.775 -2.569 609 HA LYS 87 HA LYS 87 9.943 -2.014 -1.027 610 HB2 LYS 87 1HB LYS 87 9.250 -3.430 -3.605 611 HB3 LYS 87 2HB LYS 87 10.870 -3.360 -2.925 612 HG2 LYS 87 1HG LYS 87 9.618 -4.325 -0.800 613 HG3 LYS 87 2HG LYS 87 8.502 -4.904 -2.039 614 HD2 LYS 87 1HD LYS 87 11.455 -5.327 -2.323 615 HD3 LYS 87 2HD LYS 87 10.482 -6.412 -1.327 616 HE2 LYS 87 1HE LYS 87 10.469 -7.466 -3.391 617 HE3 LYS 87 2HE LYS 87 8.954 -6.565 -3.408 618 HZ1 LYS 87 1HZ LYS 87 11.495 -5.701 -4.680 619 HZ2 LYS 87 2HZ LYS 87 10.046 -4.830 -4.692 620 HZ3 LYS 87 3HZ LYS 87 10.144 -6.318 -5.490 621 H TYR 88 H TYR 88 11.705 -0.861 -1.802 622 HA TYR 88 HA TYR 88 11.094 1.054 -3.958 623 HB2 TYR 88 1HB TYR 88 11.396 1.886 -1.517 624 HB3 TYR 88 2HB TYR 88 13.108 1.589 -1.793 625 HD1 TYR 88 1HD TYR 88 10.190 3.537 -2.977 626 HD2 TYR 88 2HD TYR 88 14.423 3.109 -3.042 627 HE1 TYR 88 1HE TYR 88 10.391 5.738 -4.055 628 HE2 TYR 88 2HE TYR 88 14.635 5.309 -4.119 629 HH TYR 88 HH TYR 88 13.194 7.458 -4.217 630 H GLY 89 H GLY 89 12.339 0.961 -5.707 631 HA2 GLY 89 1HA GLY 89 13.928 0.035 -7.129 632 HA3 GLY 89 2HA GLY 89 14.996 0.882 -6.020 633 H GLY 90 H GLY 90 13.016 -1.967 -5.328 634 HA2 GLY 90 1HA GLY 90 13.660 -4.179 -5.011 635 HA3 GLY 90 2HA GLY 90 15.299 -3.739 -5.465 636 H ASP 91 H ASP 91 13.400 -2.175 -2.950 637 HA ASP 91 HA ASP 91 14.936 -3.536 -0.874 638 HB2 ASP 91 1HB ASP 91 16.113 -1.381 -1.646 639 HB3 ASP 91 2HB ASP 91 14.781 -0.529 -0.868 640 H GLU 92 H GLU 92 13.289 -4.399 0.236 641 HA GLU 92 HA GLU 92 10.733 -3.222 0.501 642 HB2 GLU 92 1HB GLU 92 11.327 -5.679 0.740 643 HB3 GLU 92 2HB GLU 92 11.922 -5.289 2.348 644 HG2 GLU 92 1HG GLU 92 9.557 -4.263 2.681 645 HG3 GLU 92 2HG GLU 92 9.126 -5.288 1.313 646 H ILE 93 H ILE 93 9.945 -1.789 1.911 647 HA ILE 93 HA ILE 93 11.657 -0.316 3.603 648 HB ILE 93 HB ILE 93 9.552 0.715 4.477 649 HG12 ILE 93 1HG1 ILE 93 8.164 -1.019 2.431 650 HG13 ILE 93 2HG1 ILE 93 8.194 -1.400 4.149 651 HG21 ILE 93 1HG2 ILE 93 9.902 0.531 1.490 652 HG22 ILE 93 2HG2 ILE 93 8.910 1.738 2.306 653 HG23 ILE 93 3HG2 ILE 93 10.651 1.696 2.581 654 HD11 ILE 93 1HD1 ILE 93 7.321 1.174 4.172 655 HD12 ILE 93 2HD1 ILE 93 6.603 0.557 2.683 656 HD13 ILE 93 3HD1 ILE 93 6.285 -0.253 4.217 657 HA PRO 94 HA PRO 94 11.640 -2.579 7.368 658 HB2 PRO 94 1HB PRO 94 11.839 -0.557 9.169 659 HB3 PRO 94 2HB PRO 94 13.183 -1.060 8.137 660 HG2 PRO 94 1HG PRO 94 11.291 1.233 7.796 661 HG3 PRO 94 2HG PRO 94 13.047 1.187 7.557 662 HD2 PRO 94 1HD PRO 94 11.292 1.052 5.499 663 HD3 PRO 94 2HD PRO 94 12.863 0.226 5.470 664 H TYR 95 H TYR 95 9.048 -0.837 6.343 665 HA TYR 95 HA TYR 95 7.515 -1.252 8.818 666 HB2 TYR 95 1HB TYR 95 6.894 0.459 6.402 667 HB3 TYR 95 2HB TYR 95 5.839 0.270 7.798 668 HD1 TYR 95 1HD TYR 95 9.236 1.425 6.813 669 HD2 TYR 95 2HD TYR 95 6.080 1.668 9.656 670 HE1 TYR 95 1HE TYR 95 10.395 3.284 7.932 671 HE2 TYR 95 2HE TYR 95 7.230 3.528 10.782 672 HH TYR 95 HH TYR 95 9.008 4.850 10.806 673 H SER 96 H SER 96 8.027 -2.477 5.698 674 HA SER 96 HA SER 96 5.390 -3.718 5.524 675 HB2 SER 96 1HB SER 96 5.901 -3.117 3.377 676 HB3 SER 96 2HB SER 96 7.640 -3.250 3.641 677 HG SER 96 HG SER 96 7.546 -5.394 3.286 678 HA PRO 97 HA PRO 97 4.725 -5.531 4.135 679 HB2 PRO 97 1HB PRO 97 3.058 -7.421 5.144 680 HB3 PRO 97 2HB PRO 97 4.326 -7.787 3.968 681 HG2 PRO 97 1HG PRO 97 4.340 -8.143 6.940 682 HG3 PRO 97 2HG PRO 97 4.928 -9.242 5.679 683 HD2 PRO 97 1HD PRO 97 6.584 -7.648 7.112 684 HD3 PRO 97 2HD PRO 97 6.908 -8.090 5.423 685 H PHE 98 H PHE 98 2.929 -4.287 4.424 686 HA PHE 98 HA PHE 98 2.495 -3.208 7.077 687 HB2 PHE 98 1HB PHE 98 1.757 -2.438 4.305 688 HB3 PHE 98 2HB PHE 98 0.674 -1.911 5.590 689 HD1 PHE 98 2HD PHE 98 2.155 -1.042 7.747 690 HD2 PHE 98 1HD PHE 98 3.251 -0.848 3.639 691 HE1 PHE 98 2HE PHE 98 3.659 0.841 8.241 692 HE2 PHE 98 1HE PHE 98 4.759 1.034 4.127 693 HZ PHE 98 HZ PHE 98 4.963 1.882 6.430 694 H ARG 99 H ARG 99 1.286 -4.421 8.396 695 HA ARG 99 HA ARG 99 -0.853 -6.079 7.435 696 HB2 ARG 99 1HB ARG 99 -1.236 -6.229 10.042 697 HB3 ARG 99 2HB ARG 99 0.110 -7.059 9.273 698 HG2 ARG 99 1HG ARG 99 1.652 -5.407 9.983 699 HG3 ARG 99 2HG ARG 99 0.354 -4.324 10.492 700 HD2 ARG 99 1HD ARG 99 -0.287 -6.339 12.046 701 HD3 ARG 99 2HD ARG 99 1.399 -6.792 11.801 702 HE ARG 99 HE ARG 99 1.027 -4.052 12.597 703 HH11 ARG 99 1HH1 ARG 99 1.428 -7.333 13.689 704 HH12 ARG 99 2HH1 ARG 99 2.043 -6.878 15.244 705 HH21 ARG 99 1HH2 ARG 99 1.835 -3.441 14.641 706 HH22 ARG 99 2HH2 ARG 99 2.273 -4.664 15.785 707 H ILE 100 H ILE 100 -2.702 -5.190 6.789 708 HA ILE 100 HA ILE 100 -3.877 -3.063 8.459 709 HB ILE 100 HB ILE 100 -4.328 -3.352 5.492 710 HG12 ILE 100 1HG1 ILE 100 -1.968 -2.819 5.909 711 HG13 ILE 100 2HG1 ILE 100 -2.810 -1.444 5.204 712 HG21 ILE 100 1HG2 ILE 100 -5.234 -1.481 7.610 713 HG22 ILE 100 2HG2 ILE 100 -4.919 -0.822 6.005 714 HG23 ILE 100 3HG2 ILE 100 -6.100 -2.114 6.211 715 HD11 ILE 100 1HD1 ILE 100 -2.253 -1.768 8.141 716 HD12 ILE 100 2HD1 ILE 100 -1.250 -0.843 7.023 717 HD13 ILE 100 3HD1 ILE 100 -2.915 -0.349 7.330 718 H HIS 101 H HIS 101 -6.145 -3.066 8.693 719 HA HIS 101 HA HIS 101 -7.430 -5.627 8.002 720 HB2 HIS 101 1HB HIS 101 -6.899 -4.971 10.505 721 HB3 HIS 101 2HB HIS 101 -8.363 -4.007 10.335 722 HD1 HIS 101 1HD HIS 101 -7.444 -7.086 11.638 723 HD2 HIS 101 2HD HIS 101 -10.459 -5.925 9.027 724 HE1 HIS 101 1HE HIS 101 -9.173 -8.908 11.756 725 HE2 HIS 101 2HE HIS 101 -10.948 -8.225 10.103 726 H ALA 102 H ALA 102 -9.519 -5.594 7.234 727 HA ALA 102 HA ALA 102 -10.625 -2.926 6.637 728 HB1 ALA 102 1HB ALA 102 -11.738 -4.559 4.749 729 HB2 ALA 102 2HB ALA 102 -10.329 -3.527 4.502 730 HB3 ALA 102 3HB ALA 102 -10.115 -5.229 4.912 731 H LEU 103 H LEU 103 -12.496 -2.515 7.596 732 HA LEU 103 HA LEU 103 -14.059 -4.724 8.695 733 HB2 LEU 103 1HB LEU 103 -14.636 -1.807 9.081 734 HB3 LEU 103 2HB LEU 103 -15.082 -3.164 10.114 735 HG LEU 103 HG LEU 103 -12.226 -2.293 9.740 736 HD11 LEU 103 1HD1 LEU 103 -14.120 -0.657 10.809 737 HD12 LEU 103 2HD1 LEU 103 -12.411 -0.646 11.245 738 HD13 LEU 103 3HD1 LEU 103 -13.567 -1.541 12.232 739 HD21 LEU 103 1HD2 LEU 103 -11.814 -3.554 11.712 740 HD22 LEU 103 2HD2 LEU 103 -12.767 -4.576 10.635 741 HD23 LEU 103 3HD2 LEU 103 -13.539 -3.778 12.007 742 HA PRO 104 HA PRO 104 -17.117 -4.523 5.533 743 HB2 PRO 104 1HB PRO 104 -19.194 -5.629 6.888 744 HB3 PRO 104 2HB PRO 104 -17.821 -6.573 6.297 745 HG2 PRO 104 1HG PRO 104 -18.347 -5.514 9.047 746 HG3 PRO 104 2HG PRO 104 -17.734 -7.105 8.559 747 HD2 PRO 104 1HD PRO 104 -16.112 -5.132 9.460 748 HD3 PRO 104 2HD PRO 104 -15.587 -6.323 8.252 749 H THR 105 H THR 105 -18.040 -2.676 4.917 750 HA THR 105 HA THR 105 -18.778 -0.522 6.388 751 HB THR 105 HB THR 105 -20.455 0.008 4.562 752 HG1 THR 105 1HG THR 105 -20.543 -2.484 4.167 753 HG21 THR 105 1HG2 THR 105 -17.685 -0.818 3.683 754 HG22 THR 105 2HG2 THR 105 -18.106 0.715 4.447 755 HG23 THR 105 3HG2 THR 105 -18.742 0.321 2.850 756 H GLY 106 H GLY 106 -20.514 0.182 7.551 757 HA2 GLY 106 1HA GLY 106 -22.089 -1.589 8.960 758 HA3 GLY 106 2HA GLY 106 -22.491 0.105 8.721 759 H ASP 107 H ASP 107 -24.663 -1.137 8.926 760 HA ASP 107 HA ASP 107 -25.691 -2.713 6.892 761 HB2 ASP 107 1HB ASP 107 -27.915 -1.917 7.614 762 HB3 ASP 107 2HB ASP 107 -26.889 -2.339 8.982 763 H ALA 108 H ALA 108 -25.026 -2.049 4.861 764 HA ALA 108 HA ALA 108 -26.701 -0.179 3.540 765 HB1 ALA 108 1HB ALA 108 -25.316 1.618 3.117 766 HB2 ALA 108 2HB ALA 108 -24.916 1.237 4.792 767 HB3 ALA 108 3HB ALA 108 -23.850 0.711 3.490 768 H SER 109 H SER 109 -25.723 0.270 1.227 769 HA SER 109 HA SER 109 -25.425 -2.242 -0.015 770 HB2 SER 109 1HB SER 109 -24.868 0.517 -1.132 771 HB3 SER 109 2HB SER 109 -25.056 -0.954 -2.085 772 HG SER 109 HG SER 109 -27.157 -0.889 -1.796 773 H SER 110 H SER 110 -23.664 -3.199 -1.040 774 HA SER 110 HA SER 110 -21.181 -2.948 0.276 775 HB2 SER 110 1HB SER 110 -21.899 -4.349 -2.310 776 HB3 SER 110 2HB SER 110 -20.356 -4.526 -1.475 777 HG SER 110 HG SER 110 -21.974 -5.032 0.389 778 H GLY 111 H GLY 111 -20.943 -0.581 -0.045 779 HA2 GLY 111 1HA GLY 111 -20.125 1.274 -1.159 780 HA3 GLY 111 2HA GLY 111 -18.856 0.143 -1.603 781 HA PRO 112 HA PRO 112 -20.457 1.641 -5.596 782 HB2 PRO 112 1HB PRO 112 -18.103 1.296 -6.903 783 HB3 PRO 112 2HB PRO 112 -18.463 2.731 -5.935 784 HG2 PRO 112 1HG PRO 112 -16.864 0.307 -5.206 785 HG3 PRO 112 2HG PRO 112 -16.513 2.016 -4.889 786 HD2 PRO 112 1HD PRO 112 -17.547 0.368 -3.006 787 HD3 PRO 112 2HD PRO 112 -17.930 2.101 -3.073 788 H SER 113 H SER 113 -20.271 0.588 -7.816 789 HA SER 113 HA SER 113 -20.637 -2.296 -7.477 790 HB2 SER 113 1HB SER 113 -21.841 -2.228 -9.590 791 HB3 SER 113 2HB SER 113 -22.464 -0.970 -8.523 792 HG SER 113 HG SER 113 -20.380 -0.267 -10.225 793 H SER 114 H SER 114 -19.827 -3.757 -9.141 794 HA SER 114 HA SER 114 -17.208 -2.867 -10.145 795 HB2 SER 114 1HB SER 114 -16.703 -5.355 -10.210 796 HB3 SER 114 2HB SER 114 -16.922 -4.665 -8.601 797 HG SER 114 HG SER 114 -19.119 -5.776 -9.955 798 H GLY 115 H GLY 115 -16.495 -3.639 -12.216 799 HA2 GLY 115 1HA GLY 115 -17.637 -5.134 -14.104 800 HA3 GLY 115 2HA GLY 115 -18.686 -3.724 -14.132 Start of MODEL 14 1 H1 GLY 1 H GLY 1 14.986 -0.359 -21.360 2 HA2 GLY 1 1HA GLY 1 14.692 -3.084 -20.271 3 HA3 GLY 1 2HA GLY 1 15.913 -1.926 -19.764 4 H SER 2 H SER 2 14.790 -2.899 -17.699 5 HA SER 2 HA SER 2 12.695 -0.986 -16.904 6 HB2 SER 2 1HB SER 2 11.695 -3.188 -17.053 7 HB3 SER 2 2HB SER 2 12.990 -3.883 -16.079 8 HG SER 2 HG SER 2 10.734 -2.932 -15.205 9 H SER 3 H SER 3 15.276 -3.106 -15.680 10 HA SER 3 HA SER 3 15.862 -1.058 -13.645 11 HB2 SER 3 1HB SER 3 15.756 -4.056 -13.343 12 HB3 SER 3 2HB SER 3 16.662 -3.042 -12.221 13 HG SER 3 HG SER 3 13.893 -3.189 -12.659 14 H GLY 4 H GLY 4 17.580 -0.110 -14.650 15 HA2 GLY 4 1HA GLY 4 19.719 -1.792 -15.715 16 HA3 GLY 4 2HA GLY 4 19.586 -0.048 -15.885 17 H SER 5 H SER 5 21.055 1.064 -14.803 18 HA SER 5 HA SER 5 22.288 -0.177 -12.438 19 HB2 SER 5 1HB SER 5 23.827 0.342 -14.302 20 HB3 SER 5 2HB SER 5 23.359 2.039 -14.203 21 HG SER 5 HG SER 5 24.041 1.605 -11.825 22 H SER 6 H SER 6 21.180 0.492 -10.694 23 HA SER 6 HA SER 6 21.306 3.273 -9.971 24 HB2 SER 6 1HB SER 6 18.840 3.466 -9.558 25 HB3 SER 6 2HB SER 6 19.272 3.379 -11.266 26 HG SER 6 HG SER 6 18.733 1.149 -11.195 27 H GLY 7 H GLY 7 21.682 3.399 -7.855 28 HA2 GLY 7 1HA GLY 7 20.457 1.492 -6.025 29 HA3 GLY 7 2HA GLY 7 22.211 1.446 -6.125 30 H ALA 8 H ALA 8 22.480 2.078 -3.979 31 HA ALA 8 HA ALA 8 22.773 3.532 -2.252 32 HB1 ALA 8 1HB ALA 8 22.414 5.937 -3.923 33 HB2 ALA 8 2HB ALA 8 23.716 5.506 -2.814 34 HB3 ALA 8 3HB ALA 8 23.672 4.812 -4.435 35 H HIS 9 H HIS 9 20.219 2.593 -2.446 36 HA HIS 9 HA HIS 9 18.573 4.951 -1.801 37 HB2 HIS 9 1HB HIS 9 16.606 3.532 -2.394 38 HB3 HIS 9 2HB HIS 9 17.679 3.851 -3.753 39 HD1 HIS 9 1HD HIS 9 18.917 1.854 -4.779 40 HD2 HIS 9 2HD HIS 9 16.548 0.855 -1.515 41 HE1 HIS 9 1HE HIS 9 18.796 -0.658 -4.779 42 HE2 HIS 9 2HE HIS 9 17.288 -1.235 -2.846 43 H ASP 10 H ASP 10 17.017 4.702 -0.088 44 HA ASP 10 HA ASP 10 17.519 2.478 1.754 45 HB2 ASP 10 1HB ASP 10 17.961 5.380 2.278 46 HB3 ASP 10 2HB ASP 10 17.301 4.396 3.581 47 H ALA 11 H ALA 11 15.571 1.532 1.747 48 HA ALA 11 HA ALA 11 13.114 2.874 1.386 49 HB1 ALA 11 1HB ALA 11 13.083 0.296 2.826 50 HB2 ALA 11 2HB ALA 11 12.175 0.817 1.407 51 HB3 ALA 11 3HB ALA 11 13.853 0.301 1.239 52 H SER 12 H SER 12 15.115 2.448 4.135 53 HA SER 12 HA SER 12 13.163 2.554 6.176 54 HB2 SER 12 1HB SER 12 14.989 3.029 7.676 55 HB3 SER 12 2HB SER 12 15.558 1.862 6.483 56 HG SER 12 HG SER 12 16.253 3.925 5.333 57 H LYS 13 H LYS 13 14.432 4.933 4.058 58 HA LYS 13 HA LYS 13 13.656 7.166 5.749 59 HB2 LYS 13 1HB LYS 13 14.754 7.109 2.932 60 HB3 LYS 13 2HB LYS 13 14.478 8.562 3.883 61 HG2 LYS 13 1HG LYS 13 16.254 6.396 4.923 62 HG3 LYS 13 2HG LYS 13 16.856 7.564 3.744 63 HD2 LYS 13 1HD LYS 13 16.650 9.343 5.205 64 HD3 LYS 13 2HD LYS 13 15.428 8.529 6.185 65 HE2 LYS 13 1HE LYS 13 17.299 8.441 7.544 66 HE3 LYS 13 2HE LYS 13 17.339 6.871 6.744 67 HZ1 LYS 13 1HZ LYS 13 19.209 7.384 5.646 68 HZ2 LYS 13 2HZ LYS 13 19.417 8.543 6.861 69 HZ3 LYS 13 3HZ LYS 13 18.755 8.991 5.370 70 H VAL 14 H VAL 14 11.815 5.092 4.341 71 HA VAL 14 HA VAL 14 10.109 6.966 2.862 72 HB VAL 14 HB VAL 14 9.922 3.958 3.088 73 HG11 VAL 14 1HG1 VAL 14 8.027 5.928 2.214 74 HG12 VAL 14 2HG1 VAL 14 8.500 4.900 0.860 75 HG13 VAL 14 3HG1 VAL 14 7.845 4.178 2.330 76 HG21 VAL 14 1HG2 VAL 14 10.609 4.033 0.688 77 HG22 VAL 14 2HG2 VAL 14 10.953 5.751 0.894 78 HG23 VAL 14 3HG2 VAL 14 11.861 4.553 1.816 79 H ARG 15 H ARG 15 8.477 7.898 3.887 80 HA ARG 15 HA ARG 15 7.476 6.696 6.367 81 HB2 ARG 15 1HB ARG 15 7.621 9.464 5.290 82 HB3 ARG 15 2HB ARG 15 6.259 9.078 6.334 83 HG2 ARG 15 1HG ARG 15 8.974 8.312 7.255 84 HG3 ARG 15 2HG ARG 15 8.531 10.020 7.289 85 HD2 ARG 15 1HD ARG 15 6.348 9.076 8.427 86 HD3 ARG 15 2HD ARG 15 7.414 7.730 8.829 87 HE ARG 15 HE ARG 15 7.414 10.325 10.008 88 HH11 ARG 15 1HH1 ARG 15 9.458 7.643 9.142 89 HH12 ARG 15 2HH1 ARG 15 10.644 7.986 10.357 90 HH21 ARG 15 1HH2 ARG 15 8.969 10.787 11.612 91 HH22 ARG 15 2HH2 ARG 15 10.365 9.774 11.762 92 H ALA 16 H ALA 16 5.599 5.661 6.380 93 HA ALA 16 HA ALA 16 3.761 6.050 4.119 94 HB1 ALA 16 1HB ALA 16 4.784 3.730 5.280 95 HB2 ALA 16 2HB ALA 16 3.101 3.805 5.801 96 HB3 ALA 16 3HB ALA 16 3.494 3.844 4.083 97 H SER 17 H SER 17 2.032 7.260 4.484 98 HA SER 17 HA SER 17 0.608 7.019 7.020 99 HB2 SER 17 1HB SER 17 0.588 9.329 7.511 100 HB3 SER 17 2HB SER 17 2.265 8.982 7.090 101 HG SER 17 HG SER 17 0.719 10.784 6.007 102 H GLY 18 H GLY 18 -1.576 7.873 6.936 103 HA2 GLY 18 1HA GLY 18 -3.198 9.024 5.368 104 HA3 GLY 18 2HA GLY 18 -2.617 7.873 4.173 105 HA PRO 19 HA PRO 19 -6.377 6.205 6.459 106 HB2 PRO 19 1HB PRO 19 -7.994 6.013 4.286 107 HB3 PRO 19 2HB PRO 19 -7.898 7.467 5.287 108 HG2 PRO 19 1HG PRO 19 -6.569 6.878 2.670 109 HG3 PRO 19 2HG PRO 19 -7.363 8.368 3.211 110 HD2 PRO 19 1HD PRO 19 -4.673 8.063 3.227 111 HD3 PRO 19 2HD PRO 19 -5.529 9.055 4.426 112 H GLY 20 H GLY 20 -5.224 5.422 3.176 113 HA2 GLY 20 1HA GLY 20 -6.054 2.768 3.075 114 HA3 GLY 20 2HA GLY 20 -4.670 3.416 2.208 115 H LEU 21 H LEU 21 -3.427 4.185 4.841 116 HA LEU 21 HA LEU 21 -2.402 1.507 5.497 117 HB2 LEU 21 1HB LEU 21 -1.091 4.182 5.949 118 HB3 LEU 21 2HB LEU 21 -0.368 2.598 6.220 119 HG LEU 21 HG LEU 21 -1.223 3.597 3.509 120 HD11 LEU 21 1HD1 LEU 21 1.201 4.129 5.089 121 HD12 LEU 21 2HD1 LEU 21 0.490 5.035 3.754 122 HD13 LEU 21 3HD1 LEU 21 1.472 3.607 3.426 123 HD21 LEU 21 1HD2 LEU 21 -0.802 1.516 2.870 124 HD22 LEU 21 2HD2 LEU 21 -0.362 1.069 4.518 125 HD23 LEU 21 3HD2 LEU 21 0.864 1.701 3.418 126 H ASN 22 H ASN 22 -4.815 2.587 6.649 127 HA ASN 22 HA ASN 22 -4.209 3.522 9.296 128 HB2 ASN 22 1HB ASN 22 -6.307 4.105 8.059 129 HB3 ASN 22 2HB ASN 22 -6.828 2.433 8.246 130 HD21 ASN 22 1HD2 ASN 22 -8.230 2.183 9.811 131 HD22 ASN 22 2HD2 ASN 22 -8.270 3.057 11.301 132 H ALA 23 H ALA 23 -3.517 2.284 10.898 133 HA ALA 23 HA ALA 23 -3.628 -0.584 10.741 134 HB1 ALA 23 1HB ALA 23 -1.958 -0.538 12.223 135 HB2 ALA 23 2HB ALA 23 -1.940 1.205 11.954 136 HB3 ALA 23 3HB ALA 23 -2.837 0.532 13.315 137 H SER 24 H SER 24 -5.585 1.884 12.094 138 HA SER 24 HA SER 24 -6.774 0.314 14.171 139 HB2 SER 24 1HB SER 24 -7.243 2.999 12.974 140 HB3 SER 24 2HB SER 24 -8.591 2.248 13.828 141 HG SER 24 HG SER 24 -7.318 2.122 15.666 142 H GLY 25 H GLY 25 -7.196 0.555 10.784 143 HA2 GLY 25 1HA GLY 25 -8.475 -1.337 9.820 144 HA3 GLY 25 2HA GLY 25 -9.724 -0.963 10.998 145 H ILE 26 H ILE 26 -9.415 -0.941 7.907 146 HA ILE 26 HA ILE 26 -10.589 1.733 7.508 147 HB ILE 26 HB ILE 26 -9.884 1.601 5.169 148 HG12 ILE 26 1HG1 ILE 26 -8.219 -0.809 5.824 149 HG13 ILE 26 2HG1 ILE 26 -9.884 -1.006 5.288 150 HG21 ILE 26 1HG2 ILE 26 -8.416 2.538 7.006 151 HG22 ILE 26 2HG2 ILE 26 -7.503 1.033 6.914 152 HG23 ILE 26 3HG2 ILE 26 -7.600 2.093 5.508 153 HD11 ILE 26 1HD1 ILE 26 -7.993 -1.108 3.552 154 HD12 ILE 26 2HD1 ILE 26 -9.434 -0.161 3.180 155 HD13 ILE 26 3HD1 ILE 26 -7.959 0.647 3.710 156 HA PRO 27 HA PRO 27 -14.368 -0.163 6.303 157 HB2 PRO 27 1HB PRO 27 -15.328 1.729 4.608 158 HB3 PRO 27 2HB PRO 27 -15.283 1.944 6.362 159 HG2 PRO 27 1HG PRO 27 -13.392 2.967 4.279 160 HG3 PRO 27 2HG PRO 27 -14.057 3.804 5.694 161 HD2 PRO 27 1HD PRO 27 -11.561 2.755 5.663 162 HD3 PRO 27 2HD PRO 27 -12.546 2.830 7.137 163 H ALA 28 H ALA 28 -14.335 -1.920 5.041 164 HA ALA 28 HA ALA 28 -12.956 -2.113 2.581 165 HB1 ALA 28 1HB ALA 28 -13.267 -4.272 2.971 166 HB2 ALA 28 2HB ALA 28 -14.317 -3.868 4.330 167 HB3 ALA 28 3HB ALA 28 -15.003 -4.088 2.720 168 H SER 29 H SER 29 -14.110 -2.872 0.537 169 HA SER 29 HA SER 29 -15.409 -2.336 -1.252 170 HB2 SER 29 1HB SER 29 -17.503 -1.852 0.881 171 HB3 SER 29 2HB SER 29 -17.822 -2.038 -0.843 172 HG SER 29 HG SER 29 -16.686 -4.147 -0.548 173 H LEU 30 H LEU 30 -13.804 -0.264 -0.005 174 HA LEU 30 HA LEU 30 -15.166 2.045 -1.167 175 HB2 LEU 30 1HB LEU 30 -15.621 2.143 1.234 176 HB3 LEU 30 2HB LEU 30 -13.892 2.056 1.566 177 HG LEU 30 HG LEU 30 -13.883 4.248 0.062 178 HD11 LEU 30 1HD1 LEU 30 -16.281 4.177 -0.400 179 HD12 LEU 30 2HD1 LEU 30 -15.843 5.621 0.513 180 HD13 LEU 30 3HD1 LEU 30 -16.619 4.263 1.329 181 HD21 LEU 30 1HD2 LEU 30 -14.797 4.439 2.915 182 HD22 LEU 30 2HD2 LEU 30 -13.686 5.491 2.038 183 HD23 LEU 30 3HD2 LEU 30 -13.187 3.860 2.487 184 HA PRO 31 HA PRO 31 -11.182 2.602 -2.981 185 HB2 PRO 31 1HB PRO 31 -11.525 5.141 -3.879 186 HB3 PRO 31 2HB PRO 31 -12.278 3.740 -4.649 187 HG2 PRO 31 1HG PRO 31 -13.456 5.701 -2.718 188 HG3 PRO 31 2HG PRO 31 -14.168 5.015 -4.190 189 HD2 PRO 31 1HD PRO 31 -14.780 4.103 -1.715 190 HD3 PRO 31 2HD PRO 31 -14.752 3.047 -3.142 191 H VAL 32 H VAL 32 -9.636 2.674 -1.411 192 HA VAL 32 HA VAL 32 -9.289 5.226 0.024 193 HB VAL 32 HB VAL 32 -9.743 3.191 1.439 194 HG11 VAL 32 1HG1 VAL 32 -6.961 2.404 0.578 195 HG12 VAL 32 2HG1 VAL 32 -7.972 1.575 1.763 196 HG13 VAL 32 3HG1 VAL 32 -8.446 1.604 0.064 197 HG21 VAL 32 1HG2 VAL 32 -7.168 4.715 1.777 198 HG22 VAL 32 2HG2 VAL 32 -8.747 5.098 2.463 199 HG23 VAL 32 3HG2 VAL 32 -7.860 3.681 3.026 200 H GLU 33 H GLU 33 -7.316 6.224 0.008 201 HA GLU 33 HA GLU 33 -5.102 4.910 -1.388 202 HB2 GLU 33 1HB GLU 33 -4.668 7.056 -2.627 203 HB3 GLU 33 2HB GLU 33 -6.102 6.178 -3.141 204 HG2 GLU 33 1HG GLU 33 -7.531 7.761 -2.352 205 HG3 GLU 33 2HG GLU 33 -6.433 8.274 -1.072 206 H PHE 34 H PHE 34 -3.146 5.315 -0.523 207 HA PHE 34 HA PHE 34 -3.049 7.213 1.719 208 HB2 PHE 34 1HB PHE 34 -1.001 5.880 2.390 209 HB3 PHE 34 2HB PHE 34 -2.532 5.015 2.474 210 HD1 PHE 34 1HD PHE 34 -3.112 3.374 0.698 211 HD2 PHE 34 2HD PHE 34 0.740 5.166 0.969 212 HE1 PHE 34 1HE PHE 34 -2.191 1.604 -0.741 213 HE2 PHE 34 2HE PHE 34 1.666 3.399 -0.471 214 HZ PHE 34 HZ PHE 34 0.201 1.615 -1.329 215 H THR 35 H THR 35 -0.476 7.720 2.069 216 HA THR 35 HA THR 35 0.624 8.629 -0.493 217 HB THR 35 HB THR 35 0.252 10.408 1.924 218 HG1 THR 35 1HG THR 35 -0.949 10.303 -0.646 219 HG21 THR 35 1HG2 THR 35 2.393 10.565 0.380 220 HG22 THR 35 2HG2 THR 35 1.556 12.016 0.935 221 HG23 THR 35 3HG2 THR 35 1.270 11.401 -0.693 222 H ILE 36 H ILE 36 2.703 8.119 -0.662 223 HA ILE 36 HA ILE 36 4.174 7.384 1.763 224 HB ILE 36 HB ILE 36 4.879 6.865 -1.128 225 HG12 ILE 36 1HG1 ILE 36 2.831 5.681 -0.220 226 HG13 ILE 36 2HG1 ILE 36 4.114 4.630 -0.809 227 HG21 ILE 36 1HG2 ILE 36 6.226 5.068 0.503 228 HG22 ILE 36 2HG2 ILE 36 6.917 6.459 -0.331 229 HG23 ILE 36 3HG2 ILE 36 6.370 6.615 1.338 230 HD11 ILE 36 1HD1 ILE 36 4.468 5.171 1.987 231 HD12 ILE 36 2HD1 ILE 36 2.851 4.542 1.670 232 HD13 ILE 36 3HD1 ILE 36 4.268 3.629 1.155 233 H ASP 37 H ASP 37 4.876 9.335 2.561 234 HA ASP 37 HA ASP 37 6.171 11.272 0.866 235 HB2 ASP 37 1HB ASP 37 4.801 11.641 3.077 236 HB3 ASP 37 2HB ASP 37 6.353 11.339 3.854 237 H ALA 38 H ALA 38 8.001 10.386 -0.011 238 HA ALA 38 HA ALA 38 10.147 9.739 1.900 239 HB1 ALA 38 1HB ALA 38 8.982 7.972 0.053 240 HB2 ALA 38 2HB ALA 38 10.570 8.390 -0.591 241 HB3 ALA 38 3HB ALA 38 10.427 7.717 1.032 242 H ARG 39 H ARG 39 11.715 11.192 1.758 243 HA ARG 39 HA ARG 39 12.051 12.719 -0.710 244 HB2 ARG 39 1HB ARG 39 13.335 13.115 2.000 245 HB3 ARG 39 2HB ARG 39 13.447 14.214 0.632 246 HG2 ARG 39 1HG ARG 39 11.785 15.260 1.738 247 HG3 ARG 39 2HG ARG 39 10.790 14.098 0.859 248 HD2 ARG 39 1HD ARG 39 10.070 14.031 3.114 249 HD3 ARG 39 2HD ARG 39 11.020 12.570 2.847 250 HE ARG 39 HE ARG 39 12.608 13.357 4.319 251 HH11 ARG 39 1HH1 ARG 39 10.317 15.873 3.582 252 HH12 ARG 39 2HH1 ARG 39 10.882 16.933 4.830 253 HH21 ARG 39 1HH2 ARG 39 13.361 14.744 5.966 254 HH22 ARG 39 2HH2 ARG 39 12.614 16.290 6.185 255 H ASP 40 H ASP 40 14.167 11.089 1.658 256 HA ASP 40 HA ASP 40 16.187 10.773 -0.441 257 HB2 ASP 40 1HB ASP 40 16.287 10.629 2.563 258 HB3 ASP 40 2HB ASP 40 17.593 9.979 1.574 259 H ALA 41 H ALA 41 13.812 9.170 -0.498 260 HA ALA 41 HA ALA 41 14.240 6.596 0.589 261 HB1 ALA 41 1HB ALA 41 12.031 7.158 -0.024 262 HB2 ALA 41 2HB ALA 41 12.514 7.579 -1.668 263 HB3 ALA 41 3HB ALA 41 12.539 5.895 -1.146 264 H GLY 42 H GLY 42 15.883 8.208 -1.831 265 HA2 GLY 42 1HA GLY 42 17.824 7.214 -2.824 266 HA3 GLY 42 2HA GLY 42 16.995 5.665 -2.807 267 H GLU 43 H GLU 43 18.126 6.150 -5.097 268 HA GLU 43 HA GLU 43 16.197 7.479 -6.855 269 HB2 GLU 43 1HB GLU 43 18.519 8.129 -7.157 270 HB3 GLU 43 2HB GLU 43 18.990 6.450 -7.382 271 HG2 GLU 43 1HG GLU 43 18.899 7.097 -9.550 272 HG3 GLU 43 2HG GLU 43 17.225 6.587 -9.340 273 H GLY 44 H GLY 44 14.567 6.162 -7.401 274 HA2 GLY 44 1HA GLY 44 14.982 3.961 -9.108 275 HA3 GLY 44 2HA GLY 44 14.659 3.363 -7.487 276 H LEU 45 H LEU 45 12.719 2.395 -8.170 277 HA LEU 45 HA LEU 45 10.532 4.319 -8.602 278 HB2 LEU 45 1HB LEU 45 9.493 2.935 -10.167 279 HB3 LEU 45 2HB LEU 45 11.196 2.924 -10.623 280 HG LEU 45 HG LEU 45 11.173 0.723 -9.122 281 HD11 LEU 45 1HD1 LEU 45 8.404 0.742 -10.302 282 HD12 LEU 45 2HD1 LEU 45 8.748 1.049 -8.600 283 HD13 LEU 45 3HD1 LEU 45 9.149 -0.513 -9.312 284 HD21 LEU 45 1HD2 LEU 45 11.455 1.284 -11.754 285 HD22 LEU 45 2HD2 LEU 45 10.030 0.245 -11.789 286 HD23 LEU 45 3HD2 LEU 45 11.532 -0.340 -11.072 287 H LEU 46 H LEU 46 8.856 4.154 -7.243 288 HA LEU 46 HA LEU 46 8.989 2.276 -5.077 289 HB2 LEU 46 1HB LEU 46 8.263 4.467 -4.550 290 HB3 LEU 46 2HB LEU 46 7.046 4.444 -5.824 291 HG LEU 46 HG LEU 46 6.076 2.460 -4.361 292 HD11 LEU 46 1HD1 LEU 46 6.337 3.081 -1.944 293 HD12 LEU 46 2HD1 LEU 46 7.692 4.102 -2.425 294 HD13 LEU 46 3HD1 LEU 46 7.762 2.360 -2.693 295 HD21 LEU 46 1HD2 LEU 46 4.468 3.996 -4.443 296 HD22 LEU 46 2HD2 LEU 46 5.635 5.316 -4.523 297 HD23 LEU 46 3HD2 LEU 46 5.144 4.665 -2.958 298 H THR 47 H THR 47 7.716 0.528 -4.677 299 HA THR 47 HA THR 47 5.723 -0.184 -6.728 300 HB THR 47 HB THR 47 6.365 -2.519 -6.569 301 HG1 THR 47 1HG THR 47 7.263 -3.007 -4.701 302 HG21 THR 47 1HG2 THR 47 8.574 -0.565 -7.150 303 HG22 THR 47 2HG2 THR 47 7.546 -1.441 -8.285 304 HG23 THR 47 3HG2 THR 47 8.792 -2.299 -7.379 305 H VAL 48 H VAL 48 3.842 -1.118 -6.026 306 HA VAL 48 HA VAL 48 3.563 -1.670 -3.156 307 HB VAL 48 HB VAL 48 1.647 0.026 -4.764 308 HG11 VAL 48 1HG1 VAL 48 0.704 -1.606 -3.018 309 HG12 VAL 48 2HG1 VAL 48 1.452 -0.541 -1.825 310 HG13 VAL 48 3HG1 VAL 48 0.219 0.087 -2.920 311 HG21 VAL 48 1HG2 VAL 48 2.742 1.808 -4.016 312 HG22 VAL 48 2HG2 VAL 48 2.616 1.236 -2.353 313 HG23 VAL 48 3HG2 VAL 48 3.976 0.734 -3.357 314 H GLN 49 H GLN 49 2.555 -3.532 -2.765 315 HA GLN 49 HA GLN 49 0.767 -4.632 -4.824 316 HB2 GLN 49 1HB GLN 49 2.888 -5.787 -5.041 317 HB3 GLN 49 2HB GLN 49 2.917 -6.124 -3.315 318 HG2 GLN 49 1HG GLN 49 0.823 -7.458 -3.633 319 HG3 GLN 49 2HG GLN 49 1.041 -7.256 -5.371 320 HE21 GLN 49 1HE2 GLN 49 1.105 -9.604 -5.357 321 HE22 GLN 49 2HE2 GLN 49 2.600 -10.402 -5.022 322 H ILE 50 H ILE 50 -1.024 -5.708 -4.092 323 HA ILE 50 HA ILE 50 -1.346 -5.946 -1.176 324 HB ILE 50 HB ILE 50 -3.567 -5.064 -3.012 325 HG12 ILE 50 1HG1 ILE 50 -1.970 -3.292 -1.159 326 HG13 ILE 50 2HG1 ILE 50 -1.649 -3.417 -2.885 327 HG21 ILE 50 1HG2 ILE 50 -3.399 -4.709 -0.040 328 HG22 ILE 50 2HG2 ILE 50 -4.822 -4.686 -1.081 329 HG23 ILE 50 3HG2 ILE 50 -3.992 -6.208 -0.755 330 HD11 ILE 50 1HD1 ILE 50 -4.429 -2.898 -2.452 331 HD12 ILE 50 2HD1 ILE 50 -3.446 -1.711 -1.593 332 HD13 ILE 50 3HD1 ILE 50 -3.232 -1.944 -3.328 333 H LEU 51 H LEU 51 -2.092 -7.858 -0.506 334 HA LEU 51 HA LEU 51 -3.218 -9.683 -2.526 335 HB2 LEU 51 1HB LEU 51 -1.610 -10.310 -0.056 336 HB3 LEU 51 2HB LEU 51 -2.362 -11.517 -1.097 337 HG LEU 51 HG LEU 51 -0.008 -9.745 -1.673 338 HD11 LEU 51 1HD1 LEU 51 0.780 -11.711 -0.787 339 HD12 LEU 51 2HD1 LEU 51 0.754 -12.102 -2.506 340 HD13 LEU 51 3HD1 LEU 51 -0.542 -12.670 -1.453 341 HD21 LEU 51 1HD2 LEU 51 -0.084 -10.494 -3.989 342 HD22 LEU 51 2HD2 LEU 51 -1.528 -9.567 -3.583 343 HD23 LEU 51 3HD2 LEU 51 -1.608 -11.326 -3.683 344 H ASP 52 H ASP 52 -5.342 -9.865 -2.284 345 HA ASP 52 HA ASP 52 -6.938 -9.070 -0.237 346 HB2 ASP 52 1HB ASP 52 -8.372 -11.201 -1.030 347 HB3 ASP 52 2HB ASP 52 -8.235 -9.729 -1.989 348 HA PRO 53 HA PRO 53 -6.526 -11.717 3.235 349 HB2 PRO 53 1HB PRO 53 -9.095 -12.090 4.028 350 HB3 PRO 53 2HB PRO 53 -8.243 -10.554 4.222 351 HG2 PRO 53 1HG PRO 53 -10.195 -11.384 2.110 352 HG3 PRO 53 2HG PRO 53 -10.081 -9.846 2.985 353 HD2 PRO 53 1HD PRO 53 -9.126 -10.168 0.471 354 HD3 PRO 53 2HD PRO 53 -8.375 -9.067 1.644 355 H GLU 54 H GLU 54 -7.573 -12.879 0.380 356 HA GLU 54 HA GLU 54 -8.265 -15.539 1.422 357 HB2 GLU 54 1HB GLU 54 -8.689 -14.270 -1.283 358 HB3 GLU 54 2HB GLU 54 -8.961 -15.979 -0.973 359 HG2 GLU 54 1HG GLU 54 -10.324 -13.838 0.623 360 HG3 GLU 54 2HG GLU 54 -10.978 -14.437 -0.900 361 H GLY 55 H GLY 55 -5.905 -13.762 -0.410 362 HA2 GLY 55 1HA GLY 55 -3.632 -14.662 -0.396 363 HA3 GLY 55 2HA GLY 55 -4.333 -16.249 -0.676 364 H LYS 56 H LYS 56 -5.250 -13.252 -2.292 365 HA LYS 56 HA LYS 56 -4.020 -14.253 -4.768 366 HB2 LYS 56 1HB LYS 56 -6.728 -12.938 -4.740 367 HB3 LYS 56 2HB LYS 56 -5.965 -13.834 -6.047 368 HG2 LYS 56 1HG LYS 56 -6.717 -15.136 -3.451 369 HG3 LYS 56 2HG LYS 56 -7.850 -14.982 -4.795 370 HD2 LYS 56 1HD LYS 56 -6.399 -16.256 -6.232 371 HD3 LYS 56 2HD LYS 56 -5.138 -16.288 -4.997 372 HE2 LYS 56 1HE LYS 56 -6.366 -17.743 -3.626 373 HE3 LYS 56 2HE LYS 56 -7.869 -17.426 -4.491 374 HZ1 LYS 56 1HZ LYS 56 -5.638 -19.178 -5.221 375 HZ2 LYS 56 2HZ LYS 56 -6.510 -18.440 -6.468 376 HZ3 LYS 56 3HZ LYS 56 -7.304 -19.440 -5.358 377 HA PRO 57 HA PRO 57 -2.462 -10.177 -5.270 378 HB2 PRO 57 1HB PRO 57 -2.320 -10.022 -7.977 379 HB3 PRO 57 2HB PRO 57 -1.213 -11.006 -7.011 380 HG2 PRO 57 1HG PRO 57 -3.651 -11.841 -8.535 381 HG3 PRO 57 2HG PRO 57 -2.069 -12.635 -8.432 382 HD2 PRO 57 1HD PRO 57 -4.210 -13.459 -6.992 383 HD3 PRO 57 2HD PRO 57 -2.545 -13.598 -6.392 384 H LYS 58 H LYS 58 -3.274 -8.162 -5.335 385 HA LYS 58 HA LYS 58 -5.948 -7.805 -6.506 386 HB2 LYS 58 1HB LYS 58 -4.511 -6.295 -4.320 387 HB3 LYS 58 2HB LYS 58 -6.043 -5.779 -5.011 388 HG2 LYS 58 1HG LYS 58 -5.615 -8.449 -3.692 389 HG3 LYS 58 2HG LYS 58 -6.233 -7.020 -2.861 390 HD2 LYS 58 1HD LYS 58 -7.504 -8.229 -5.314 391 HD3 LYS 58 2HD LYS 58 -7.998 -8.602 -3.661 392 HE2 LYS 58 1HE LYS 58 -8.167 -5.986 -3.469 393 HE3 LYS 58 2HE LYS 58 -8.317 -6.082 -5.223 394 HZ1 LYS 58 1HZ LYS 58 -10.104 -7.836 -4.696 395 HZ2 LYS 58 2HZ LYS 58 -10.492 -6.201 -4.507 396 HZ3 LYS 58 3HZ LYS 58 -10.123 -7.145 -3.152 397 H LYS 59 H LYS 59 -6.231 -5.239 -6.922 398 HA LYS 59 HA LYS 59 -4.071 -4.531 -8.796 399 HB2 LYS 59 1HB LYS 59 -6.518 -5.052 -9.584 400 HB3 LYS 59 2HB LYS 59 -6.843 -3.418 -9.017 401 HG2 LYS 59 1HG LYS 59 -6.349 -2.969 -11.185 402 HG3 LYS 59 2HG LYS 59 -4.725 -2.868 -10.501 403 HD2 LYS 59 1HD LYS 59 -5.688 -5.518 -11.451 404 HD3 LYS 59 2HD LYS 59 -5.242 -4.312 -12.660 405 HE2 LYS 59 1HE LYS 59 -3.116 -4.076 -11.097 406 HE3 LYS 59 2HE LYS 59 -3.554 -5.727 -10.664 407 HZ1 LYS 59 1HZ LYS 59 -2.084 -4.972 -12.830 408 HZ2 LYS 59 2HZ LYS 59 -3.610 -5.288 -13.489 409 HZ3 LYS 59 3HZ LYS 59 -2.808 -6.484 -12.601 410 H ALA 60 H ALA 60 -2.844 -2.921 -8.094 411 HA ALA 60 HA ALA 60 -4.128 -0.715 -6.622 412 HB1 ALA 60 1HB ALA 60 -1.303 -1.063 -6.019 413 HB2 ALA 60 2HB ALA 60 -2.678 -0.859 -4.932 414 HB3 ALA 60 3HB ALA 60 -2.280 -2.458 -5.560 415 H ASN 61 H ASN 61 -3.176 1.373 -6.898 416 HA ASN 61 HA ASN 61 -1.592 1.617 -9.371 417 HB2 ASN 61 1HB ASN 61 -3.519 3.703 -8.355 418 HB3 ASN 61 2HB ASN 61 -2.784 3.589 -9.952 419 HD21 ASN 61 1HD2 ASN 61 -5.221 2.332 -7.818 420 HD22 ASN 61 2HD2 ASN 61 -6.129 1.490 -9.023 421 H ILE 62 H ILE 62 0.143 2.980 -9.381 422 HA ILE 62 HA ILE 62 0.782 4.308 -6.827 423 HB ILE 62 HB ILE 62 2.715 3.075 -8.794 424 HG12 ILE 62 1HG1 ILE 62 2.444 2.195 -5.954 425 HG13 ILE 62 2HG1 ILE 62 1.229 1.660 -7.110 426 HG21 ILE 62 1HG2 ILE 62 3.953 4.793 -7.918 427 HG22 ILE 62 2HG2 ILE 62 3.069 4.799 -6.393 428 HG23 ILE 62 3HG2 ILE 62 4.258 3.538 -6.717 429 HD11 ILE 62 1HD1 ILE 62 3.576 1.147 -8.424 430 HD12 ILE 62 2HD1 ILE 62 3.974 0.785 -6.744 431 HD13 ILE 62 3HD1 ILE 62 2.615 -0.026 -7.523 432 H ARG 63 H ARG 63 1.271 6.418 -6.883 433 HA ARG 63 HA ARG 63 1.647 7.669 -9.526 434 HB2 ARG 63 1HB ARG 63 -0.514 8.100 -8.047 435 HB3 ARG 63 2HB ARG 63 0.555 9.238 -7.237 436 HG2 ARG 63 1HG ARG 63 0.415 9.332 -10.199 437 HG3 ARG 63 2HG ARG 63 -0.958 9.948 -9.278 438 HD2 ARG 63 1HD ARG 63 0.637 11.369 -7.990 439 HD3 ARG 63 2HD ARG 63 1.915 10.839 -9.084 440 HE ARG 63 HE ARG 63 1.055 12.213 -10.720 441 HH11 ARG 63 1HH1 ARG 63 -1.177 12.000 -8.057 442 HH12 ARG 63 2HH1 ARG 63 -2.186 13.287 -8.629 443 HH21 ARG 63 1HH2 ARG 63 -0.265 13.909 -11.484 444 HH22 ARG 63 2HH2 ARG 63 -1.667 14.371 -10.579 445 H ASP 64 H ASP 64 3.138 9.349 -9.700 446 HA ASP 64 HA ASP 64 5.022 9.555 -7.444 447 HB2 ASP 64 1HB ASP 64 5.912 8.471 -9.510 448 HB3 ASP 64 2HB ASP 64 5.616 9.974 -10.379 449 H ASN 65 H ASN 65 5.170 11.466 -6.485 450 HA ASN 65 HA ASN 65 3.774 13.747 -7.531 451 HB2 ASN 65 1HB ASN 65 5.209 13.077 -5.012 452 HB3 ASN 65 2HB ASN 65 5.051 14.782 -5.421 453 HD21 ASN 65 1HD2 ASN 65 3.261 11.814 -4.860 454 HD22 ASN 65 2HD2 ASN 65 1.785 12.576 -4.382 455 H GLY 66 H GLY 66 7.175 12.919 -6.925 456 HA2 GLY 66 1HA GLY 66 8.958 13.581 -8.330 457 HA3 GLY 66 2HA GLY 66 7.945 14.866 -8.970 458 H ASP 67 H ASP 67 7.274 15.334 -5.953 459 HA ASP 67 HA ASP 67 9.435 17.261 -5.576 460 HB2 ASP 67 1HB ASP 67 7.453 18.393 -5.248 461 HB3 ASP 67 2HB ASP 67 6.643 16.990 -4.556 462 H GLY 68 H GLY 68 8.530 14.186 -4.510 463 HA2 GLY 68 1HA GLY 68 10.432 13.174 -3.174 464 HA3 GLY 68 2HA GLY 68 10.126 14.485 -2.044 465 H THR 69 H THR 69 7.439 13.033 -3.658 466 HA THR 69 HA THR 69 6.895 11.214 -1.449 467 HB THR 69 HB THR 69 4.640 12.124 -1.063 468 HG1 THR 69 1HG THR 69 4.356 13.204 -3.060 469 HG21 THR 69 1HG2 THR 69 5.327 13.657 0.484 470 HG22 THR 69 2HG2 THR 69 6.388 14.490 -0.652 471 HG23 THR 69 3HG2 THR 69 6.896 12.966 0.073 472 H TYR 70 H TYR 70 4.565 10.230 -1.880 473 HA TYR 70 HA TYR 70 4.000 9.927 -4.713 474 HB2 TYR 70 1HB TYR 70 4.802 7.569 -2.996 475 HB3 TYR 70 2HB TYR 70 4.179 7.469 -4.639 476 HD1 TYR 70 1HD TYR 70 6.981 8.914 -2.655 477 HD2 TYR 70 2HD TYR 70 5.649 7.518 -6.447 478 HE1 TYR 70 1HE TYR 70 9.270 9.122 -3.529 479 HE2 TYR 70 2HE TYR 70 7.935 7.720 -7.331 480 HH TYR 70 HH TYR 70 10.650 8.425 -5.261 481 H THR 71 H THR 71 2.043 8.608 -5.091 482 HA THR 71 HA THR 71 0.275 8.448 -2.750 483 HB THR 71 HB THR 71 -0.473 9.717 -5.392 484 HG1 THR 71 1HG THR 71 -0.792 11.567 -3.985 485 HG21 THR 71 1HG2 THR 71 -2.339 9.970 -3.164 486 HG22 THR 71 2HG2 THR 71 -2.123 8.304 -3.698 487 HG23 THR 71 3HG2 THR 71 -2.639 9.538 -4.847 488 H VAL 72 H VAL 72 -0.992 6.678 -2.688 489 HA VAL 72 HA VAL 72 -1.246 5.058 -5.131 490 HB VAL 72 HB VAL 72 -0.642 3.965 -2.379 491 HG11 VAL 72 1HG1 VAL 72 -2.119 2.708 -4.200 492 HG12 VAL 72 2HG1 VAL 72 -0.521 2.290 -4.821 493 HG13 VAL 72 3HG1 VAL 72 -0.967 1.859 -3.170 494 HG21 VAL 72 1HG2 VAL 72 1.533 3.582 -3.032 495 HG22 VAL 72 2HG2 VAL 72 1.140 3.627 -4.750 496 HG23 VAL 72 3HG2 VAL 72 1.205 5.125 -3.822 497 H SER 73 H SER 73 -3.193 4.080 -5.445 498 HA SER 73 HA SER 73 -5.217 4.398 -3.328 499 HB2 SER 73 1HB SER 73 -6.876 5.012 -4.975 500 HB3 SER 73 2HB SER 73 -5.489 6.085 -5.160 501 HG SER 73 HG SER 73 -6.473 5.019 -7.117 502 H TYR 74 H TYR 74 -6.764 2.780 -3.156 503 HA TYR 74 HA TYR 74 -6.836 0.583 -5.015 504 HB2 TYR 74 1HB TYR 74 -6.096 -1.143 -3.504 505 HB3 TYR 74 2HB TYR 74 -4.830 0.074 -3.618 506 HD1 TYR 74 1HD TYR 74 -4.433 1.628 -1.733 507 HD2 TYR 74 2HD TYR 74 -7.219 -1.574 -1.437 508 HE1 TYR 74 1HE TYR 74 -4.423 1.853 0.716 509 HE2 TYR 74 2HE TYR 74 -7.217 -1.357 1.013 510 HH TYR 74 HH TYR 74 -5.008 0.005 2.736 511 H LEU 75 H LEU 75 -8.540 -0.919 -4.565 512 HA LEU 75 HA LEU 75 -10.494 0.069 -2.592 513 HB2 LEU 75 1HB LEU 75 -11.413 0.664 -4.654 514 HB3 LEU 75 2HB LEU 75 -10.872 -0.825 -5.427 515 HG LEU 75 HG LEU 75 -12.581 -1.895 -3.697 516 HD11 LEU 75 1HD1 LEU 75 -13.107 0.307 -2.686 517 HD12 LEU 75 2HD1 LEU 75 -14.517 -0.519 -3.347 518 HD13 LEU 75 3HD1 LEU 75 -13.782 0.816 -4.234 519 HD21 LEU 75 1HD2 LEU 75 -13.977 -0.670 -5.975 520 HD22 LEU 75 2HD2 LEU 75 -13.803 -2.366 -5.525 521 HD23 LEU 75 3HD2 LEU 75 -12.498 -1.541 -6.379 522 HA PRO 76 HA PRO 76 -9.680 -4.212 -1.309 523 HB2 PRO 76 1HB PRO 76 -10.518 -3.820 1.243 524 HB3 PRO 76 2HB PRO 76 -8.897 -3.386 0.687 525 HG2 PRO 76 1HG PRO 76 -11.302 -1.643 1.060 526 HG3 PRO 76 2HG PRO 76 -9.613 -1.327 1.497 527 HD2 PRO 76 1HD PRO 76 -10.758 -0.300 -0.732 528 HD3 PRO 76 2HD PRO 76 -9.037 -0.729 -0.653 529 H ASP 77 H ASP 77 -11.513 -4.686 -2.799 530 HA ASP 77 HA ASP 77 -14.198 -4.443 -2.167 531 HB2 ASP 77 1HB ASP 77 -12.607 -6.284 -3.877 532 HB3 ASP 77 2HB ASP 77 -14.260 -6.763 -3.502 533 H MET 78 H MET 78 -12.082 -7.241 -1.521 534 HA MET 78 HA MET 78 -14.068 -8.538 0.091 535 HB2 MET 78 1HB MET 78 -11.238 -9.104 -0.678 536 HB3 MET 78 2HB MET 78 -11.923 -9.955 0.700 537 HG2 MET 78 1HG MET 78 -13.860 -10.517 -0.917 538 HG3 MET 78 2HG MET 78 -12.708 -10.082 -2.178 539 HE1 MET 78 1HE MET 78 -13.040 -14.110 -1.858 540 HE2 MET 78 2HE MET 78 -14.273 -12.923 -1.431 541 HE3 MET 78 3HE MET 78 -13.372 -12.756 -2.939 542 H SER 79 H SER 79 -13.787 -9.088 2.351 543 HA SER 79 HA SER 79 -12.472 -6.914 3.834 544 HB2 SER 79 1HB SER 79 -14.708 -8.721 4.780 545 HB3 SER 79 2HB SER 79 -14.077 -7.299 5.610 546 HG SER 79 HG SER 79 -15.011 -6.980 2.999 547 H GLY 80 H GLY 80 -11.035 -7.347 5.446 548 HA2 GLY 80 1HA GLY 80 -10.549 -9.331 7.092 549 HA3 GLY 80 2HA GLY 80 -10.081 -10.114 5.589 550 H ARG 81 H ARG 81 -8.011 -10.284 6.817 551 HA ARG 81 HA ARG 81 -6.471 -7.893 7.209 552 HB2 ARG 81 1HB ARG 81 -6.241 -10.062 8.519 553 HB3 ARG 81 2HB ARG 81 -5.417 -10.716 7.110 554 HG2 ARG 81 1HG ARG 81 -3.953 -8.533 7.406 555 HG3 ARG 81 2HG ARG 81 -4.507 -8.691 9.074 556 HD2 ARG 81 1HD ARG 81 -3.490 -10.775 9.339 557 HD3 ARG 81 2HD ARG 81 -3.353 -11.031 7.600 558 HE ARG 81 HE ARG 81 -1.832 -8.787 8.532 559 HH11 ARG 81 1HH1 ARG 81 -1.839 -12.244 8.118 560 HH12 ARG 81 2HH1 ARG 81 -0.112 -12.371 8.055 561 HH21 ARG 81 1HH2 ARG 81 0.442 -8.941 8.450 562 HH22 ARG 81 2HH2 ARG 81 1.185 -10.491 8.245 563 H TYR 82 H TYR 82 -5.760 -6.762 5.526 564 HA TYR 82 HA TYR 82 -5.092 -8.106 3.029 565 HB2 TYR 82 1HB TYR 82 -5.623 -5.283 3.842 566 HB3 TYR 82 2HB TYR 82 -4.638 -5.567 2.411 567 HD1 TYR 82 2HD TYR 82 -7.978 -5.956 3.889 568 HD2 TYR 82 1HD TYR 82 -5.607 -6.465 0.394 569 HE1 TYR 82 2HE TYR 82 -10.021 -6.282 2.558 570 HE2 TYR 82 1HE TYR 82 -7.643 -6.792 -0.947 571 HH TYR 82 HH TYR 82 -10.003 -7.527 -0.562 572 H THR 83 H THR 83 -3.078 -8.230 2.156 573 HA THR 83 HA THR 83 -0.854 -7.448 3.914 574 HB THR 83 HB THR 83 -0.694 -9.394 1.615 575 HG1 THR 83 1HG THR 83 -1.189 -9.953 4.369 576 HG21 THR 83 1HG2 THR 83 1.139 -10.190 3.415 577 HG22 THR 83 2HG2 THR 83 1.114 -8.460 3.760 578 HG23 THR 83 3HG2 THR 83 1.484 -9.030 2.132 579 H ILE 84 H ILE 84 -0.200 -5.456 3.332 580 HA ILE 84 HA ILE 84 0.072 -4.818 0.486 581 HB ILE 84 HB ILE 84 0.341 -2.986 2.872 582 HG12 ILE 84 1HG1 ILE 84 -1.958 -3.209 0.922 583 HG13 ILE 84 2HG1 ILE 84 -1.949 -3.966 2.511 584 HG21 ILE 84 1HG2 ILE 84 0.367 -2.516 -0.094 585 HG22 ILE 84 2HG2 ILE 84 -0.008 -1.234 1.057 586 HG23 ILE 84 3HG2 ILE 84 1.564 -2.032 1.108 587 HD11 ILE 84 1HD1 ILE 84 -1.588 -1.657 3.462 588 HD12 ILE 84 2HD1 ILE 84 -1.956 -1.041 1.850 589 HD13 ILE 84 3HD1 ILE 84 -3.165 -1.970 2.737 590 H THR 85 H THR 85 1.970 -5.339 -0.375 591 HA THR 85 HA THR 85 4.392 -5.163 1.272 592 HB THR 85 HB THR 85 4.089 -6.451 -1.446 593 HG1 THR 85 1HG THR 85 3.046 -7.908 -0.301 594 HG21 THR 85 1HG2 THR 85 6.297 -6.738 -1.380 595 HG22 THR 85 2HG2 THR 85 6.170 -7.534 0.188 596 HG23 THR 85 3HG2 THR 85 6.360 -5.783 0.100 597 H ILE 86 H ILE 86 5.523 -3.349 1.108 598 HA ILE 86 HA ILE 86 5.526 -1.914 -1.465 599 HB ILE 86 HB ILE 86 5.994 -0.828 1.314 600 HG12 ILE 86 1HG1 ILE 86 3.769 -0.228 -0.644 601 HG13 ILE 86 2HG1 ILE 86 3.625 -1.375 0.684 602 HG21 ILE 86 1HG2 ILE 86 6.021 1.384 0.157 603 HG22 ILE 86 2HG2 ILE 86 7.407 0.356 -0.207 604 HG23 ILE 86 3HG2 ILE 86 6.098 0.519 -1.378 605 HD11 ILE 86 1HD1 ILE 86 2.988 1.284 0.776 606 HD12 ILE 86 2HD1 ILE 86 3.272 0.241 2.170 607 HD13 ILE 86 3HD1 ILE 86 4.580 1.237 1.533 608 H LYS 87 H LYS 87 7.370 -1.860 -2.557 609 HA LYS 87 HA LYS 87 9.900 -2.173 -1.087 610 HB2 LYS 87 1HB LYS 87 8.942 -3.640 -3.523 611 HB3 LYS 87 2HB LYS 87 10.663 -3.390 -3.262 612 HG2 LYS 87 1HG LYS 87 10.114 -4.386 -0.892 613 HG3 LYS 87 2HG LYS 87 8.739 -5.079 -1.753 614 HD2 LYS 87 1HD LYS 87 11.424 -5.322 -3.002 615 HD3 LYS 87 2HD LYS 87 11.078 -6.326 -1.592 616 HE2 LYS 87 1HE LYS 87 10.360 -7.704 -3.279 617 HE3 LYS 87 2HE LYS 87 8.866 -6.849 -2.902 618 HZ1 LYS 87 1HZ LYS 87 9.609 -5.243 -4.725 619 HZ2 LYS 87 2HZ LYS 87 9.009 -6.750 -5.202 620 HZ3 LYS 87 3HZ LYS 87 10.676 -6.466 -5.202 621 H TYR 88 H TYR 88 11.498 -0.801 -1.647 622 HA TYR 88 HA TYR 88 10.942 1.060 -3.859 623 HB2 TYR 88 1HB TYR 88 11.151 1.907 -1.439 624 HB3 TYR 88 2HB TYR 88 12.872 1.578 -1.605 625 HD1 TYR 88 1HD TYR 88 10.073 3.533 -3.065 626 HD2 TYR 88 2HD TYR 88 14.289 3.117 -2.677 627 HE1 TYR 88 1HE TYR 88 10.382 5.729 -4.130 628 HE2 TYR 88 2HE TYR 88 14.610 5.312 -3.739 629 HH TYR 88 HH TYR 88 13.570 7.210 -4.394 630 H GLY 89 H GLY 89 12.230 1.028 -5.580 631 HA2 GLY 89 1HA GLY 89 13.872 0.187 -6.987 632 HA3 GLY 89 2HA GLY 89 14.907 0.980 -5.809 633 H GLY 90 H GLY 90 12.933 -1.782 -4.980 634 HA2 GLY 90 1HA GLY 90 13.546 -4.047 -4.829 635 HA3 GLY 90 2HA GLY 90 15.193 -3.607 -5.253 636 H ASP 91 H ASP 91 13.219 -2.165 -2.709 637 HA ASP 91 HA ASP 91 14.726 -3.571 -0.653 638 HB2 ASP 91 1HB ASP 91 15.840 -1.300 -1.441 639 HB3 ASP 91 2HB ASP 91 14.617 -0.599 -0.385 640 H GLU 92 H GLU 92 13.057 -4.416 0.433 641 HA GLU 92 HA GLU 92 10.512 -3.223 0.673 642 HB2 GLU 92 1HB GLU 92 11.229 -5.699 0.974 643 HB3 GLU 92 2HB GLU 92 11.568 -5.236 2.636 644 HG2 GLU 92 1HG GLU 92 9.321 -4.735 3.073 645 HG3 GLU 92 2HG GLU 92 8.905 -4.721 1.361 646 H ILE 93 H ILE 93 9.662 -1.855 2.130 647 HA ILE 93 HA ILE 93 11.351 -0.323 3.795 648 HB ILE 93 HB ILE 93 9.233 0.641 4.701 649 HG12 ILE 93 1HG1 ILE 93 7.852 -1.152 2.701 650 HG13 ILE 93 2HG1 ILE 93 7.945 -1.529 4.418 651 HG21 ILE 93 1HG2 ILE 93 10.295 0.782 2.078 652 HG22 ILE 93 2HG2 ILE 93 8.540 0.899 1.958 653 HG23 ILE 93 3HG2 ILE 93 9.431 2.026 2.980 654 HD11 ILE 93 1HD1 ILE 93 6.972 1.157 3.935 655 HD12 ILE 93 2HD1 ILE 93 5.973 -0.079 3.169 656 HD13 ILE 93 3HD1 ILE 93 6.282 -0.145 4.903 657 HA PRO 94 HA PRO 94 11.478 -2.593 7.554 658 HB2 PRO 94 1HB PRO 94 11.639 -0.568 9.355 659 HB3 PRO 94 2HB PRO 94 12.982 -1.023 8.300 660 HG2 PRO 94 1HG PRO 94 11.005 1.205 7.997 661 HG3 PRO 94 2HG PRO 94 12.757 1.219 7.727 662 HD2 PRO 94 1HD PRO 94 10.972 1.027 5.700 663 HD3 PRO 94 2HD PRO 94 12.570 0.257 5.641 664 H TYR 95 H TYR 95 8.810 -0.942 6.578 665 HA TYR 95 HA TYR 95 7.334 -1.440 9.074 666 HB2 TYR 95 1HB TYR 95 6.935 0.485 6.814 667 HB3 TYR 95 2HB TYR 95 5.551 -0.020 7.776 668 HD1 TYR 95 1HD TYR 95 9.083 0.861 8.637 669 HD2 TYR 95 2HD TYR 95 4.947 1.651 9.244 670 HE1 TYR 95 1HE TYR 95 9.660 2.542 10.337 671 HE2 TYR 95 2HE TYR 95 5.512 3.335 10.945 672 HH TYR 95 HH TYR 95 8.509 3.584 12.360 673 H SER 96 H SER 96 7.859 -2.621 5.958 674 HA SER 96 HA SER 96 5.233 -3.871 5.730 675 HB2 SER 96 1HB SER 96 5.800 -3.281 3.595 676 HB3 SER 96 2HB SER 96 7.531 -3.412 3.904 677 HG SER 96 HG SER 96 7.483 -5.488 3.410 678 HA PRO 97 HA PRO 97 4.606 -5.690 4.327 679 HB2 PRO 97 1HB PRO 97 2.910 -7.576 5.296 680 HB3 PRO 97 2HB PRO 97 4.211 -7.947 4.157 681 HG2 PRO 97 1HG PRO 97 4.140 -8.291 7.130 682 HG3 PRO 97 2HG PRO 97 4.763 -9.395 5.890 683 HD2 PRO 97 1HD PRO 97 6.379 -7.797 7.363 684 HD3 PRO 97 2HD PRO 97 6.750 -8.245 5.686 685 H PHE 98 H PHE 98 2.777 -4.472 4.560 686 HA PHE 98 HA PHE 98 2.288 -3.351 7.184 687 HB2 PHE 98 1HB PHE 98 1.593 -2.643 4.388 688 HB3 PHE 98 2HB PHE 98 0.463 -2.122 5.633 689 HD1 PHE 98 2HD PHE 98 1.904 -1.218 7.827 690 HD2 PHE 98 1HD PHE 98 3.025 -0.992 3.727 691 HE1 PHE 98 2HE PHE 98 3.348 0.708 8.332 692 HE2 PHE 98 1HE PHE 98 4.472 0.934 4.226 693 HZ PHE 98 HZ PHE 98 4.634 1.788 6.530 694 H ARG 99 H ARG 99 1.064 -4.528 8.517 695 HA ARG 99 HA ARG 99 -1.028 -6.253 7.564 696 HB2 ARG 99 1HB ARG 99 -1.454 -6.315 10.177 697 HB3 ARG 99 2HB ARG 99 -0.103 -7.172 9.447 698 HG2 ARG 99 1HG ARG 99 1.454 -5.691 10.258 699 HG3 ARG 99 2HG ARG 99 0.287 -4.374 10.395 700 HD2 ARG 99 1HD ARG 99 -0.765 -5.479 12.288 701 HD3 ARG 99 2HD ARG 99 0.343 -6.841 12.129 702 HE ARG 99 HE ARG 99 1.798 -4.443 12.448 703 HH11 ARG 99 1HH1 ARG 99 -0.191 -6.679 14.226 704 HH12 ARG 99 2HH1 ARG 99 0.562 -6.341 15.749 705 HH21 ARG 99 1HH2 ARG 99 2.797 -3.988 14.448 706 HH22 ARG 99 2HH2 ARG 99 2.261 -4.809 15.874 707 H ILE 100 H ILE 100 -2.768 -5.251 6.731 708 HA ILE 100 HA ILE 100 -4.034 -3.135 8.347 709 HB ILE 100 HB ILE 100 -4.424 -3.574 5.388 710 HG12 ILE 100 1HG1 ILE 100 -2.068 -2.944 5.985 711 HG13 ILE 100 2HG1 ILE 100 -2.898 -1.763 4.978 712 HG21 ILE 100 1HG2 ILE 100 -6.274 -2.419 6.263 713 HG22 ILE 100 2HG2 ILE 100 -5.264 -1.435 7.321 714 HG23 ILE 100 3HG2 ILE 100 -5.234 -1.170 5.578 715 HD11 ILE 100 1HD1 ILE 100 -1.505 -1.203 7.245 716 HD12 ILE 100 2HD1 ILE 100 -2.743 -0.170 6.530 717 HD13 ILE 100 3HD1 ILE 100 -3.163 -1.270 7.843 718 H HIS 101 H HIS 101 -6.238 -3.219 8.720 719 HA HIS 101 HA HIS 101 -7.550 -5.760 8.004 720 HB2 HIS 101 1HB HIS 101 -6.922 -5.231 10.492 721 HB3 HIS 101 2HB HIS 101 -8.340 -4.189 10.431 722 HD1 HIS 101 1HD HIS 101 -7.615 -7.255 11.731 723 HD2 HIS 101 2HD HIS 101 -10.500 -6.050 8.994 724 HE1 HIS 101 1HE HIS 101 -9.406 -9.018 11.822 725 HE2 HIS 101 2HE HIS 101 -11.100 -8.312 10.097 726 H ALA 102 H ALA 102 -9.382 -5.619 6.882 727 HA ALA 102 HA ALA 102 -10.627 -2.969 6.597 728 HB1 ALA 102 1HB ALA 102 -9.711 -4.114 4.555 729 HB2 ALA 102 2HB ALA 102 -10.979 -5.324 4.756 730 HB3 ALA 102 3HB ALA 102 -11.408 -3.640 4.457 731 H LEU 103 H LEU 103 -12.532 -2.641 7.526 732 HA LEU 103 HA LEU 103 -14.031 -4.914 8.563 733 HB2 LEU 103 1HB LEU 103 -14.740 -2.020 8.917 734 HB3 LEU 103 2HB LEU 103 -15.172 -3.390 9.938 735 HG LEU 103 HG LEU 103 -12.310 -2.552 9.667 736 HD11 LEU 103 1HD1 LEU 103 -14.118 -0.701 10.392 737 HD12 LEU 103 2HD1 LEU 103 -12.486 -0.784 11.053 738 HD13 LEU 103 3HD1 LEU 103 -13.837 -1.480 11.949 739 HD21 LEU 103 1HD2 LEU 103 -13.301 -3.401 12.254 740 HD22 LEU 103 2HD2 LEU 103 -11.971 -4.040 11.288 741 HD23 LEU 103 3HD2 LEU 103 -13.620 -4.598 10.998 742 HA PRO 104 HA PRO 104 -17.014 -4.876 5.322 743 HB2 PRO 104 1HB PRO 104 -19.055 -6.103 6.625 744 HB3 PRO 104 2HB PRO 104 -17.618 -6.965 6.063 745 HG2 PRO 104 1HG PRO 104 -18.266 -5.949 8.803 746 HG3 PRO 104 2HG PRO 104 -17.553 -7.501 8.325 747 HD2 PRO 104 1HD PRO 104 -16.067 -5.443 9.269 748 HD3 PRO 104 2HD PRO 104 -15.448 -6.598 8.071 749 H THR 105 H THR 105 -17.548 -2.734 4.993 750 HA THR 105 HA THR 105 -19.370 -1.409 6.838 751 HB THR 105 HB THR 105 -19.098 0.555 5.320 752 HG1 THR 105 1HG THR 105 -17.132 0.166 3.863 753 HG21 THR 105 1HG2 THR 105 -17.439 -0.312 7.250 754 HG22 THR 105 2HG2 THR 105 -17.182 1.188 6.359 755 HG23 THR 105 3HG2 THR 105 -16.317 -0.276 5.890 756 H GLY 106 H GLY 106 -21.478 -1.781 6.632 757 HA2 GLY 106 1HA GLY 106 -23.516 -1.428 5.449 758 HA3 GLY 106 2HA GLY 106 -22.652 -1.690 3.942 759 H ASP 107 H ASP 107 -24.823 -3.009 3.881 760 HA ASP 107 HA ASP 107 -24.325 -5.707 4.941 761 HB2 ASP 107 1HB ASP 107 -26.745 -6.102 4.494 762 HB3 ASP 107 2HB ASP 107 -26.452 -4.811 5.657 763 H ALA 108 H ALA 108 -25.374 -3.981 2.021 764 HA ALA 108 HA ALA 108 -25.385 -6.275 0.349 765 HB1 ALA 108 1HB ALA 108 -26.290 -4.885 -1.133 766 HB2 ALA 108 2HB ALA 108 -26.197 -3.637 0.110 767 HB3 ALA 108 3HB ALA 108 -24.900 -3.801 -1.073 768 H SER 109 H SER 109 -23.699 -7.384 -0.369 769 HA SER 109 HA SER 109 -21.020 -6.457 -0.032 770 HB2 SER 109 1HB SER 109 -21.930 -8.893 0.012 771 HB3 SER 109 2HB SER 109 -21.762 -8.816 -1.742 772 HG SER 109 HG SER 109 -19.806 -8.843 0.242 773 H SER 110 H SER 110 -21.048 -4.513 -1.286 774 HA SER 110 HA SER 110 -20.019 -4.844 -3.900 775 HB2 SER 110 1HB SER 110 -21.748 -3.984 -5.267 776 HB3 SER 110 2HB SER 110 -22.542 -5.173 -4.234 777 HG SER 110 HG SER 110 -23.352 -2.796 -4.538 778 H GLY 111 H GLY 111 -18.657 -3.209 -4.231 779 HA2 GLY 111 1HA GLY 111 -18.721 -0.933 -2.438 780 HA3 GLY 111 2HA GLY 111 -17.466 -1.307 -3.610 781 HA PRO 112 HA PRO 112 -20.059 2.290 -5.107 782 HB2 PRO 112 1HB PRO 112 -17.985 4.016 -5.409 783 HB3 PRO 112 2HB PRO 112 -18.878 3.843 -3.894 784 HG2 PRO 112 1HG PRO 112 -16.247 2.656 -4.687 785 HG3 PRO 112 2HG PRO 112 -16.722 3.394 -3.147 786 HD2 PRO 112 1HD PRO 112 -16.630 0.713 -3.510 787 HD3 PRO 112 2HD PRO 112 -17.798 1.489 -2.421 788 H SER 113 H SER 113 -20.453 2.485 -7.228 789 HA SER 113 HA SER 113 -18.601 1.255 -9.107 790 HB2 SER 113 1HB SER 113 -20.970 0.651 -9.260 791 HB3 SER 113 2HB SER 113 -21.399 2.343 -9.512 792 HG SER 113 HG SER 113 -21.029 2.020 -11.543 793 H SER 114 H SER 114 -17.449 2.313 -10.623 794 HA SER 114 HA SER 114 -17.580 5.249 -10.579 795 HB2 SER 114 1HB SER 114 -15.414 4.068 -9.983 796 HB3 SER 114 2HB SER 114 -15.325 3.559 -11.669 797 HG SER 114 HG SER 114 -14.500 5.439 -12.059 798 H GLY 115 H GLY 115 -17.326 2.478 -12.780 799 HA2 GLY 115 1HA GLY 115 -18.329 4.236 -14.934 800 HA3 GLY 115 2HA GLY 115 -17.140 2.975 -15.221 Start of MODEL 15 1 H1 GLY 1 H GLY 1 18.567 -8.403 -19.662 2 HA2 GLY 1 1HA GLY 1 21.395 -8.557 -19.905 3 HA3 GLY 1 2HA GLY 1 20.484 -7.193 -19.273 4 H SER 2 H SER 2 22.056 -6.855 -17.658 5 HA SER 2 HA SER 2 21.707 -8.611 -15.348 6 HB2 SER 2 1HB SER 2 24.316 -7.995 -16.697 7 HB3 SER 2 2HB SER 2 24.271 -8.271 -14.955 8 HG SER 2 HG SER 2 22.922 -10.230 -15.798 9 H SER 3 H SER 3 21.268 -7.455 -13.596 10 HA SER 3 HA SER 3 22.108 -4.630 -13.539 11 HB2 SER 3 1HB SER 3 19.577 -5.957 -12.590 12 HB3 SER 3 2HB SER 3 20.085 -4.395 -11.950 13 HG SER 3 HG SER 3 20.142 -3.665 -14.165 14 H GLY 4 H GLY 4 22.379 -3.719 -11.338 15 HA2 GLY 4 1HA GLY 4 22.524 -4.754 -8.923 16 HA3 GLY 4 2HA GLY 4 23.838 -5.640 -9.682 17 H SER 5 H SER 5 23.773 -3.621 -7.476 18 HA SER 5 HA SER 5 26.165 -2.275 -8.122 19 HB2 SER 5 1HB SER 5 25.305 0.063 -8.069 20 HB3 SER 5 2HB SER 5 24.764 -0.836 -9.487 21 HG SER 5 HG SER 5 23.302 -0.119 -7.182 22 H SER 6 H SER 6 26.744 -0.638 -6.387 23 HA SER 6 HA SER 6 26.669 -1.769 -3.891 24 HB2 SER 6 1HB SER 6 28.132 0.154 -4.703 25 HB3 SER 6 2HB SER 6 26.786 1.221 -4.305 26 HG SER 6 HG SER 6 27.214 0.995 -2.252 27 H GLY 7 H GLY 7 24.553 0.823 -5.110 28 HA2 GLY 7 1HA GLY 7 22.173 0.685 -4.570 29 HA3 GLY 7 2HA GLY 7 22.639 0.100 -2.979 30 H ALA 8 H ALA 8 21.416 2.683 -4.512 31 HA ALA 8 HA ALA 8 22.521 4.548 -2.516 32 HB1 ALA 8 1HB ALA 8 21.779 6.229 -4.499 33 HB2 ALA 8 2HB ALA 8 23.415 5.605 -4.288 34 HB3 ALA 8 3HB ALA 8 22.318 4.834 -5.434 35 H HIS 9 H HIS 9 20.242 2.994 -2.079 36 HA HIS 9 HA HIS 9 18.219 5.099 -1.889 37 HB2 HIS 9 1HB HIS 9 16.440 3.463 -2.508 38 HB3 HIS 9 2HB HIS 9 17.527 3.853 -3.837 39 HD1 HIS 9 1HD HIS 9 18.957 1.965 -4.786 40 HD2 HIS 9 2HD HIS 9 16.678 0.826 -1.504 41 HE1 HIS 9 1HE HIS 9 19.113 -0.544 -4.697 42 HE2 HIS 9 2HE HIS 9 17.657 -1.215 -2.754 43 H ASP 10 H ASP 10 16.988 5.032 -0.049 44 HA ASP 10 HA ASP 10 17.519 2.815 1.817 45 HB2 ASP 10 1HB ASP 10 17.666 5.769 2.252 46 HB3 ASP 10 2HB ASP 10 17.143 4.741 3.584 47 H ALA 11 H ALA 11 15.650 1.709 1.769 48 HA ALA 11 HA ALA 11 13.097 2.837 1.368 49 HB1 ALA 11 1HB ALA 11 12.233 0.644 2.052 50 HB2 ALA 11 2HB ALA 11 13.555 0.500 0.892 51 HB3 ALA 11 3HB ALA 11 13.846 0.190 2.604 52 H SER 12 H SER 12 15.027 2.330 4.220 53 HA SER 12 HA SER 12 13.013 2.462 6.172 54 HB2 SER 12 1HB SER 12 15.590 1.926 6.347 55 HB3 SER 12 2HB SER 12 15.710 3.651 6.694 56 HG SER 12 HG SER 12 14.853 3.321 8.589 57 H LYS 13 H LYS 13 14.277 4.851 4.090 58 HA LYS 13 HA LYS 13 13.502 7.081 5.784 59 HB2 LYS 13 1HB LYS 13 14.566 7.026 2.954 60 HB3 LYS 13 2HB LYS 13 14.296 8.479 3.908 61 HG2 LYS 13 1HG LYS 13 16.093 6.322 4.930 62 HG3 LYS 13 2HG LYS 13 16.677 7.487 3.739 63 HD2 LYS 13 1HD LYS 13 16.497 9.267 5.197 64 HD3 LYS 13 2HD LYS 13 15.273 8.467 6.186 65 HE2 LYS 13 1HE LYS 13 18.040 7.346 6.035 66 HE3 LYS 13 2HE LYS 13 17.710 8.729 7.077 67 HZ1 LYS 13 1HZ LYS 13 15.709 6.851 7.533 68 HZ2 LYS 13 2HZ LYS 13 16.944 7.326 8.587 69 HZ3 LYS 13 3HZ LYS 13 17.176 6.008 7.551 70 H VAL 14 H VAL 14 11.672 4.987 4.361 71 HA VAL 14 HA VAL 14 9.929 6.859 2.926 72 HB VAL 14 HB VAL 14 9.749 3.849 3.120 73 HG11 VAL 14 1HG1 VAL 14 7.907 5.862 2.181 74 HG12 VAL 14 2HG1 VAL 14 8.362 4.757 0.882 75 HG13 VAL 14 3HG1 VAL 14 7.670 4.126 2.378 76 HG21 VAL 14 1HG2 VAL 14 11.675 4.298 1.858 77 HG22 VAL 14 2HG2 VAL 14 10.407 4.046 0.658 78 HG23 VAL 14 3HG2 VAL 14 10.932 5.682 1.055 79 H ARG 15 H ARG 15 8.276 7.744 3.960 80 HA ARG 15 HA ARG 15 7.309 6.491 6.431 81 HB2 ARG 15 1HB ARG 15 7.432 9.285 5.417 82 HB3 ARG 15 2HB ARG 15 6.085 8.866 6.467 83 HG2 ARG 15 1HG ARG 15 8.823 8.105 7.330 84 HG3 ARG 15 2HG ARG 15 8.353 9.804 7.423 85 HD2 ARG 15 1HD ARG 15 6.210 8.822 8.574 86 HD3 ARG 15 2HD ARG 15 7.265 7.444 8.888 87 HE ARG 15 HE ARG 15 8.756 9.487 9.764 88 HH11 ARG 15 1HH1 ARG 15 5.422 8.652 10.317 89 HH12 ARG 15 2HH1 ARG 15 5.373 9.354 11.900 90 HH21 ARG 15 1HH2 ARG 15 8.704 10.415 11.847 91 HH22 ARG 15 2HH2 ARG 15 7.240 10.357 12.769 92 H ALA 16 H ALA 16 5.365 5.571 6.527 93 HA ALA 16 HA ALA 16 3.564 5.899 4.227 94 HB1 ALA 16 1HB ALA 16 4.382 3.623 5.812 95 HB2 ALA 16 2HB ALA 16 2.625 3.768 5.737 96 HB3 ALA 16 3HB ALA 16 3.567 3.674 4.249 97 H SER 17 H SER 17 1.812 7.100 4.498 98 HA SER 17 HA SER 17 0.397 7.056 7.048 99 HB2 SER 17 1HB SER 17 1.769 9.434 5.889 100 HB3 SER 17 2HB SER 17 0.190 9.686 6.633 101 HG SER 17 HG SER 17 2.237 8.258 7.953 102 H GLY 18 H GLY 18 -1.759 8.094 6.892 103 HA2 GLY 18 1HA GLY 18 -3.417 9.062 5.323 104 HA3 GLY 18 2HA GLY 18 -2.800 7.927 4.130 105 HA PRO 19 HA PRO 19 -6.523 6.165 6.415 106 HB2 PRO 19 1HB PRO 19 -8.150 5.966 4.251 107 HB3 PRO 19 2HB PRO 19 -8.078 7.409 5.269 108 HG2 PRO 19 1HG PRO 19 -6.753 6.880 2.637 109 HG3 PRO 19 2HG PRO 19 -7.575 8.346 3.201 110 HD2 PRO 19 1HD PRO 19 -4.879 8.098 3.197 111 HD3 PRO 19 2HD PRO 19 -5.748 9.056 4.412 112 H GLY 20 H GLY 20 -5.445 5.441 3.089 113 HA2 GLY 20 1HA GLY 20 -6.203 2.798 2.917 114 HA3 GLY 20 2HA GLY 20 -4.780 3.462 2.128 115 H LEU 21 H LEU 21 -3.589 4.162 4.770 116 HA LEU 21 HA LEU 21 -2.655 1.457 5.449 117 HB2 LEU 21 1HB LEU 21 -1.286 4.104 5.902 118 HB3 LEU 21 2HB LEU 21 -0.612 2.511 6.238 119 HG LEU 21 HG LEU 21 -1.289 3.584 3.500 120 HD11 LEU 21 1HD1 LEU 21 1.488 2.953 4.174 121 HD12 LEU 21 2HD1 LEU 21 0.818 4.327 5.052 122 HD13 LEU 21 3HD1 LEU 21 0.814 4.321 3.289 123 HD21 LEU 21 1HD2 LEU 21 -0.382 0.943 4.518 124 HD22 LEU 21 2HD2 LEU 21 0.286 1.522 2.992 125 HD23 LEU 21 3HD2 LEU 21 -1.458 1.331 3.175 126 H ASN 22 H ASN 22 -5.061 2.603 6.549 127 HA ASN 22 HA ASN 22 -4.568 3.610 9.164 128 HB2 ASN 22 1HB ASN 22 -6.707 3.832 7.759 129 HB3 ASN 22 2HB ASN 22 -7.091 2.203 8.305 130 HD21 ASN 22 1HD2 ASN 22 -8.405 2.160 9.963 131 HD22 ASN 22 2HD2 ASN 22 -8.493 3.329 11.233 132 H ALA 23 H ALA 23 -3.852 2.528 10.866 133 HA ALA 23 HA ALA 23 -3.640 -0.334 10.844 134 HB1 ALA 23 1HB ALA 23 -2.065 -0.023 12.393 135 HB2 ALA 23 2HB ALA 23 -2.261 1.702 12.081 136 HB3 ALA 23 3HB ALA 23 -3.136 0.942 13.410 137 H SER 24 H SER 24 -5.776 2.027 12.276 138 HA SER 24 HA SER 24 -6.957 0.302 14.203 139 HB2 SER 24 1HB SER 24 -7.012 2.908 14.031 140 HB3 SER 24 2HB SER 24 -8.416 2.635 12.999 141 HG SER 24 HG SER 24 -9.520 2.324 14.745 142 H GLY 25 H GLY 25 -7.393 0.764 10.808 143 HA2 GLY 25 1HA GLY 25 -8.482 -1.189 9.712 144 HA3 GLY 25 2HA GLY 25 -9.763 -1.001 10.899 145 H ILE 26 H ILE 26 -9.444 -0.750 7.819 146 HA ILE 26 HA ILE 26 -10.777 1.864 7.564 147 HB ILE 26 HB ILE 26 -10.180 1.744 5.152 148 HG12 ILE 26 1HG1 ILE 26 -8.209 -0.411 5.821 149 HG13 ILE 26 2HG1 ILE 26 -9.857 -0.852 5.389 150 HG21 ILE 26 1HG2 ILE 26 -8.705 2.639 7.212 151 HG22 ILE 26 2HG2 ILE 26 -7.573 1.486 6.507 152 HG23 ILE 26 3HG2 ILE 26 -8.218 2.800 5.524 153 HD11 ILE 26 1HD1 ILE 26 -8.753 -0.966 3.372 154 HD12 ILE 26 2HD1 ILE 26 -9.451 0.653 3.325 155 HD13 ILE 26 3HD1 ILE 26 -7.747 0.440 3.724 156 HA PRO 27 HA PRO 27 -14.526 -0.113 6.404 157 HB2 PRO 27 1HB PRO 27 -15.587 1.782 4.775 158 HB3 PRO 27 2HB PRO 27 -15.502 1.963 6.531 159 HG2 PRO 27 1HG PRO 27 -13.698 3.084 4.421 160 HG3 PRO 27 2HG PRO 27 -14.350 3.872 5.870 161 HD2 PRO 27 1HD PRO 27 -11.826 2.900 5.752 162 HD3 PRO 27 2HD PRO 27 -12.773 2.916 7.253 163 H ALA 28 H ALA 28 -14.224 -1.881 5.147 164 HA ALA 28 HA ALA 28 -12.996 -1.946 2.631 165 HB1 ALA 28 1HB ALA 28 -14.592 -4.111 2.511 166 HB2 ALA 28 2HB ALA 28 -13.083 -4.055 3.422 167 HB3 ALA 28 3HB ALA 28 -14.621 -3.798 4.247 168 H SER 29 H SER 29 -14.233 -2.834 0.640 169 HA SER 29 HA SER 29 -15.648 -2.399 -1.086 170 HB2 SER 29 1HB SER 29 -17.455 -2.139 1.291 171 HB3 SER 29 2HB SER 29 -18.061 -1.712 -0.309 172 HG SER 29 HG SER 29 -17.249 -4.203 0.687 173 H LEU 30 H LEU 30 -13.919 -0.325 -0.242 174 HA LEU 30 HA LEU 30 -15.265 1.924 -1.459 175 HB2 LEU 30 1HB LEU 30 -15.854 2.237 0.873 176 HB3 LEU 30 2HB LEU 30 -14.160 2.096 1.341 177 HG LEU 30 HG LEU 30 -13.923 4.184 -0.277 178 HD11 LEU 30 1HD1 LEU 30 -15.776 5.555 -0.453 179 HD12 LEU 30 2HD1 LEU 30 -16.637 4.735 0.849 180 HD13 LEU 30 3HD1 LEU 30 -16.464 3.954 -0.723 181 HD21 LEU 30 1HD2 LEU 30 -15.060 4.520 2.490 182 HD22 LEU 30 2HD2 LEU 30 -13.930 5.577 1.643 183 HD23 LEU 30 3HD2 LEU 30 -13.410 3.978 2.180 184 HA PRO 31 HA PRO 31 -11.209 2.407 -3.117 185 HB2 PRO 31 1HB PRO 31 -11.487 4.912 -4.124 186 HB3 PRO 31 2HB PRO 31 -12.225 3.490 -4.870 187 HG2 PRO 31 1HG PRO 31 -13.457 5.535 -3.063 188 HG3 PRO 31 2HG PRO 31 -14.117 4.800 -4.536 189 HD2 PRO 31 1HD PRO 31 -14.836 3.990 -2.054 190 HD3 PRO 31 2HD PRO 31 -14.765 2.879 -3.437 191 H VAL 32 H VAL 32 -9.687 2.545 -1.542 192 HA VAL 32 HA VAL 32 -9.395 5.130 -0.154 193 HB VAL 32 HB VAL 32 -9.864 3.079 1.269 194 HG11 VAL 32 1HG1 VAL 32 -8.049 1.553 1.706 195 HG12 VAL 32 2HG1 VAL 32 -8.408 1.547 -0.022 196 HG13 VAL 32 3HG1 VAL 32 -7.002 2.422 0.585 197 HG21 VAL 32 1HG2 VAL 32 -7.440 4.808 1.673 198 HG22 VAL 32 2HG2 VAL 32 -9.051 4.996 2.366 199 HG23 VAL 32 3HG2 VAL 32 -8.007 3.680 2.905 200 H GLU 33 H GLU 33 -7.383 6.093 -0.051 201 HA GLU 33 HA GLU 33 -5.151 4.781 -1.413 202 HB2 GLU 33 1HB GLU 33 -4.676 6.868 -2.687 203 HB3 GLU 33 2HB GLU 33 -6.163 6.067 -3.175 204 HG2 GLU 33 1HG GLU 33 -7.506 7.704 -2.263 205 HG3 GLU 33 2HG GLU 33 -6.254 8.256 -1.151 206 H PHE 34 H PHE 34 -3.213 5.190 -0.507 207 HA PHE 34 HA PHE 34 -3.169 7.083 1.741 208 HB2 PHE 34 1HB PHE 34 -1.107 5.754 2.421 209 HB3 PHE 34 2HB PHE 34 -2.646 4.906 2.518 210 HD1 PHE 34 1HD PHE 34 -3.276 3.351 0.620 211 HD2 PHE 34 2HD PHE 34 0.649 4.912 1.140 212 HE1 PHE 34 1HE PHE 34 -2.379 1.559 -0.807 213 HE2 PHE 34 2HE PHE 34 1.553 3.122 -0.287 214 HZ PHE 34 HZ PHE 34 0.039 1.443 -1.263 215 H THR 35 H THR 35 -0.668 7.691 2.160 216 HA THR 35 HA THR 35 0.497 8.593 -0.382 217 HB THR 35 HB THR 35 0.056 10.350 2.040 218 HG1 THR 35 1HG THR 35 -0.865 10.951 -0.545 219 HG21 THR 35 1HG2 THR 35 2.233 10.548 0.568 220 HG22 THR 35 2HG2 THR 35 1.351 11.988 1.078 221 HG23 THR 35 3HG2 THR 35 1.136 11.354 -0.553 222 H ILE 36 H ILE 36 2.555 8.011 -0.512 223 HA ILE 36 HA ILE 36 3.997 7.315 1.937 224 HB ILE 36 HB ILE 36 4.739 6.790 -0.944 225 HG12 ILE 36 1HG1 ILE 36 2.705 5.583 -0.088 226 HG13 ILE 36 2HG1 ILE 36 4.024 4.529 -0.585 227 HG21 ILE 36 1HG2 ILE 36 6.739 6.140 -0.233 228 HG22 ILE 36 2HG2 ILE 36 6.334 6.776 1.360 229 HG23 ILE 36 3HG2 ILE 36 6.014 5.085 0.979 230 HD11 ILE 36 1HD1 ILE 36 3.803 5.329 2.272 231 HD12 ILE 36 2HD1 ILE 36 2.732 4.084 1.629 232 HD13 ILE 36 3HD1 ILE 36 4.480 3.865 1.558 233 H ASP 37 H ASP 37 4.734 9.226 2.763 234 HA ASP 37 HA ASP 37 6.004 11.205 1.098 235 HB2 ASP 37 1HB ASP 37 4.677 11.478 3.371 236 HB3 ASP 37 2HB ASP 37 6.272 11.223 4.074 237 H ALA 38 H ALA 38 7.809 10.310 0.165 238 HA ALA 38 HA ALA 38 9.996 9.645 2.022 239 HB1 ALA 38 1HB ALA 38 10.280 7.638 1.120 240 HB2 ALA 38 2HB ALA 38 8.790 7.885 0.208 241 HB3 ALA 38 3HB ALA 38 10.342 8.324 -0.504 242 H ARG 39 H ARG 39 11.557 11.104 1.861 243 HA ARG 39 HA ARG 39 11.842 12.652 -0.599 244 HB2 ARG 39 1HB ARG 39 13.185 13.024 2.084 245 HB3 ARG 39 2HB ARG 39 13.262 14.137 0.724 246 HG2 ARG 39 1HG ARG 39 11.626 15.166 1.887 247 HG3 ARG 39 2HG ARG 39 10.613 14.018 1.010 248 HD2 ARG 39 1HD ARG 39 9.952 13.938 3.294 249 HD3 ARG 39 2HD ARG 39 10.855 12.461 2.960 250 HE ARG 39 HE ARG 39 12.472 14.581 4.028 251 HH11 ARG 39 1HH1 ARG 39 10.362 11.924 4.805 252 HH12 ARG 39 2HH1 ARG 39 11.025 11.689 6.389 253 HH21 ARG 39 1HH2 ARG 39 13.354 14.282 6.110 254 HH22 ARG 39 2HH2 ARG 39 12.727 13.032 7.130 255 H ASP 40 H ASP 40 14.006 10.998 1.707 256 HA ASP 40 HA ASP 40 15.973 10.690 -0.445 257 HB2 ASP 40 1HB ASP 40 16.163 10.556 2.556 258 HB3 ASP 40 2HB ASP 40 17.444 9.918 1.528 259 H ALA 41 H ALA 41 13.620 9.079 -0.462 260 HA ALA 41 HA ALA 41 14.055 6.517 0.645 261 HB1 ALA 41 1HB ALA 41 12.339 5.785 -1.031 262 HB2 ALA 41 2HB ALA 41 11.843 7.121 0.008 263 HB3 ALA 41 3HB ALA 41 12.341 7.435 -1.654 264 H GLY 42 H GLY 42 15.396 8.107 -2.085 265 HA2 GLY 42 1HA GLY 42 17.487 6.940 -2.854 266 HA3 GLY 42 2HA GLY 42 16.457 5.534 -3.077 267 H GLU 43 H GLU 43 17.868 6.253 -5.204 268 HA GLU 43 HA GLU 43 16.127 7.915 -6.883 269 HB2 GLU 43 1HB GLU 43 18.007 7.970 -8.462 270 HB3 GLU 43 2HB GLU 43 18.481 8.547 -6.871 271 HG2 GLU 43 1HG GLU 43 19.334 6.188 -6.448 272 HG3 GLU 43 2HG GLU 43 19.152 5.938 -8.183 273 H GLY 44 H GLY 44 14.860 5.658 -6.416 274 HA2 GLY 44 1HA GLY 44 15.253 4.096 -8.891 275 HA3 GLY 44 2HA GLY 44 14.912 3.306 -7.359 276 H LEU 45 H LEU 45 13.038 2.352 -8.247 277 HA LEU 45 HA LEU 45 10.803 4.238 -8.613 278 HB2 LEU 45 1HB LEU 45 9.835 2.841 -10.218 279 HB3 LEU 45 2HB LEU 45 11.545 2.903 -10.637 280 HG LEU 45 HG LEU 45 11.584 0.675 -9.184 281 HD11 LEU 45 1HD1 LEU 45 9.097 0.969 -8.746 282 HD12 LEU 45 2HD1 LEU 45 9.627 -0.612 -9.319 283 HD13 LEU 45 3HD1 LEU 45 8.858 0.517 -10.434 284 HD21 LEU 45 1HD2 LEU 45 11.594 -0.542 -11.213 285 HD22 LEU 45 2HD2 LEU 45 12.217 1.063 -11.597 286 HD23 LEU 45 3HD2 LEU 45 10.555 0.638 -12.011 287 H LEU 46 H LEU 46 9.161 4.062 -7.231 288 HA LEU 46 HA LEU 46 9.252 2.118 -5.129 289 HB2 LEU 46 1HB LEU 46 8.503 4.244 -4.492 290 HB3 LEU 46 2HB LEU 46 7.381 4.348 -5.847 291 HG LEU 46 HG LEU 46 6.271 2.290 -4.568 292 HD11 LEU 46 1HD1 LEU 46 7.288 1.920 -2.615 293 HD12 LEU 46 2HD1 LEU 46 6.467 3.381 -2.067 294 HD13 LEU 46 3HD1 LEU 46 8.128 3.471 -2.651 295 HD21 LEU 46 1HD2 LEU 46 5.725 4.997 -4.934 296 HD22 LEU 46 2HD2 LEU 46 5.477 4.710 -3.211 297 HD23 LEU 46 3HD2 LEU 46 4.600 3.747 -4.401 298 H THR 47 H THR 47 7.924 0.390 -4.759 299 HA THR 47 HA THR 47 5.971 -0.277 -6.859 300 HB THR 47 HB THR 47 6.611 -2.669 -6.615 301 HG1 THR 47 1HG THR 47 8.089 -1.670 -4.602 302 HG21 THR 47 1HG2 THR 47 8.821 -0.798 -7.477 303 HG22 THR 47 2HG2 THR 47 7.496 -1.390 -8.480 304 HG23 THR 47 3HG2 THR 47 8.724 -2.510 -7.888 305 H VAL 48 H VAL 48 4.044 -1.035 -6.172 306 HA VAL 48 HA VAL 48 3.765 -1.710 -3.319 307 HB VAL 48 HB VAL 48 1.824 -0.062 -4.946 308 HG11 VAL 48 1HG1 VAL 48 0.265 -0.508 -3.427 309 HG12 VAL 48 2HG1 VAL 48 1.345 -1.723 -2.740 310 HG13 VAL 48 3HG1 VAL 48 1.356 -0.075 -2.112 311 HG21 VAL 48 1HG2 VAL 48 2.402 1.762 -3.449 312 HG22 VAL 48 2HG2 VAL 48 3.546 0.726 -2.596 313 HG23 VAL 48 3HG2 VAL 48 3.843 1.171 -4.276 314 H GLN 49 H GLN 49 2.521 -3.449 -2.850 315 HA GLN 49 HA GLN 49 0.859 -4.618 -4.955 316 HB2 GLN 49 1HB GLN 49 3.070 -5.709 -5.101 317 HB3 GLN 49 2HB GLN 49 2.939 -6.178 -3.412 318 HG2 GLN 49 1HG GLN 49 1.222 -7.703 -3.847 319 HG3 GLN 49 2HG GLN 49 0.890 -7.008 -5.433 320 HE21 GLN 49 1HE2 GLN 49 1.511 -9.765 -4.634 321 HE22 GLN 49 2HE2 GLN 49 2.889 -10.224 -5.569 322 H ILE 50 H ILE 50 -0.987 -5.523 -4.223 323 HA ILE 50 HA ILE 50 -1.291 -5.807 -1.305 324 HB ILE 50 HB ILE 50 -3.449 -4.937 -3.229 325 HG12 ILE 50 1HG1 ILE 50 -1.970 -3.279 -1.177 326 HG13 ILE 50 2HG1 ILE 50 -1.644 -3.239 -2.906 327 HG21 ILE 50 1HG2 ILE 50 -3.459 -4.909 -0.218 328 HG22 ILE 50 2HG2 ILE 50 -4.807 -4.574 -1.303 329 HG23 ILE 50 3HG2 ILE 50 -4.151 -6.207 -1.190 330 HD11 ILE 50 1HD1 ILE 50 -3.372 -1.896 -3.307 331 HD12 ILE 50 2HD1 ILE 50 -4.448 -2.809 -2.248 332 HD13 ILE 50 3HD1 ILE 50 -3.362 -1.596 -1.569 333 H LEU 51 H LEU 51 -2.196 -7.649 -0.562 334 HA LEU 51 HA LEU 51 -3.191 -9.569 -2.564 335 HB2 LEU 51 1HB LEU 51 -1.613 -10.097 -0.052 336 HB3 LEU 51 2HB LEU 51 -2.350 -11.350 -1.048 337 HG LEU 51 HG LEU 51 -0.005 -9.586 -1.683 338 HD11 LEU 51 1HD1 LEU 51 0.826 -11.488 -0.726 339 HD12 LEU 51 2HD1 LEU 51 0.754 -11.997 -2.413 340 HD13 LEU 51 3HD1 LEU 51 -0.511 -12.491 -1.289 341 HD21 LEU 51 1HD2 LEU 51 -0.072 -10.599 -3.961 342 HD22 LEU 51 2HD2 LEU 51 -1.371 -9.450 -3.642 343 HD23 LEU 51 3HD2 LEU 51 -1.696 -11.184 -3.599 344 H ASP 52 H ASP 52 -5.308 -9.825 -2.354 345 HA ASP 52 HA ASP 52 -6.965 -8.969 -0.377 346 HB2 ASP 52 1HB ASP 52 -8.341 -11.158 -1.109 347 HB3 ASP 52 2HB ASP 52 -8.209 -9.727 -2.129 348 HA PRO 53 HA PRO 53 -6.574 -11.460 3.210 349 HB2 PRO 53 1HB PRO 53 -9.151 -11.849 3.969 350 HB3 PRO 53 2HB PRO 53 -8.332 -10.289 4.115 351 HG2 PRO 53 1HG PRO 53 -10.225 -11.245 2.001 352 HG3 PRO 53 2HG PRO 53 -10.157 -9.670 2.812 353 HD2 PRO 53 1HD PRO 53 -9.145 -10.077 0.334 354 HD3 PRO 53 2HD PRO 53 -8.439 -8.914 1.474 355 H GLU 54 H GLU 54 -7.542 -12.760 0.387 356 HA GLU 54 HA GLU 54 -8.210 -15.385 1.525 357 HB2 GLU 54 1HB GLU 54 -8.601 -14.223 -1.231 358 HB3 GLU 54 2HB GLU 54 -8.822 -15.931 -0.880 359 HG2 GLU 54 1HG GLU 54 -10.689 -15.553 0.439 360 HG3 GLU 54 2HG GLU 54 -10.284 -13.857 0.698 361 H GLY 55 H GLY 55 -5.879 -13.666 -0.429 362 HA2 GLY 55 1HA GLY 55 -3.574 -14.518 -0.287 363 HA3 GLY 55 2HA GLY 55 -4.245 -16.127 -0.514 364 H LYS 56 H LYS 56 -5.171 -13.213 -2.272 365 HA LYS 56 HA LYS 56 -3.883 -14.302 -4.680 366 HB2 LYS 56 1HB LYS 56 -6.625 -13.044 -4.693 367 HB3 LYS 56 2HB LYS 56 -5.817 -13.874 -6.017 368 HG2 LYS 56 1HG LYS 56 -6.579 -15.249 -3.457 369 HG3 LYS 56 2HG LYS 56 -7.651 -15.149 -4.856 370 HD2 LYS 56 1HD LYS 56 -6.034 -16.318 -6.223 371 HD3 LYS 56 2HD LYS 56 -4.872 -16.326 -4.895 372 HE2 LYS 56 1HE LYS 56 -6.083 -17.893 -3.681 373 HE3 LYS 56 2HE LYS 56 -7.580 -17.553 -4.548 374 HZ1 LYS 56 1HZ LYS 56 -5.489 -18.526 -6.254 375 HZ2 LYS 56 2HZ LYS 56 -7.090 -19.051 -6.101 376 HZ3 LYS 56 3HZ LYS 56 -5.905 -19.629 -5.040 377 HA PRO 57 HA PRO 57 -2.349 -10.241 -5.338 378 HB2 PRO 57 1HB PRO 57 -2.196 -10.184 -8.047 379 HB3 PRO 57 2HB PRO 57 -1.089 -11.127 -7.042 380 HG2 PRO 57 1HG PRO 57 -3.517 -12.028 -8.544 381 HG3 PRO 57 2HG PRO 57 -1.932 -12.811 -8.406 382 HD2 PRO 57 1HD PRO 57 -4.075 -13.591 -6.947 383 HD3 PRO 57 2HD PRO 57 -2.412 -13.701 -6.335 384 H LYS 58 H LYS 58 -3.173 -8.235 -5.471 385 HA LYS 58 HA LYS 58 -5.823 -7.927 -6.715 386 HB2 LYS 58 1HB LYS 58 -4.494 -6.373 -4.490 387 HB3 LYS 58 2HB LYS 58 -6.022 -5.913 -5.229 388 HG2 LYS 58 1HG LYS 58 -5.555 -8.567 -3.893 389 HG3 LYS 58 2HG LYS 58 -6.212 -7.152 -3.066 390 HD2 LYS 58 1HD LYS 58 -7.426 -8.361 -5.547 391 HD3 LYS 58 2HD LYS 58 -7.928 -8.775 -3.906 392 HE2 LYS 58 1HE LYS 58 -8.159 -6.165 -3.673 393 HE3 LYS 58 2HE LYS 58 -8.294 -6.239 -5.430 394 HZ1 LYS 58 1HZ LYS 58 -9.933 -8.111 -3.917 395 HZ2 LYS 58 2HZ LYS 58 -10.296 -7.247 -5.325 396 HZ3 LYS 58 3HZ LYS 58 -10.373 -6.480 -3.819 397 H LYS 59 H LYS 59 -6.128 -5.372 -7.157 398 HA LYS 59 HA LYS 59 -3.868 -4.597 -8.884 399 HB2 LYS 59 1HB LYS 59 -6.035 -5.299 -10.016 400 HB3 LYS 59 2HB LYS 59 -6.755 -3.847 -9.334 401 HG2 LYS 59 1HG LYS 59 -5.252 -2.448 -10.568 402 HG3 LYS 59 2HG LYS 59 -4.343 -3.851 -11.134 403 HD2 LYS 59 1HD LYS 59 -6.025 -4.515 -12.586 404 HD3 LYS 59 2HD LYS 59 -7.271 -3.626 -11.707 405 HE2 LYS 59 1HE LYS 59 -6.566 -1.563 -12.583 406 HE3 LYS 59 2HE LYS 59 -5.023 -2.224 -13.122 407 HZ1 LYS 59 1HZ LYS 59 -6.086 -2.270 -15.090 408 HZ2 LYS 59 2HZ LYS 59 -7.630 -2.322 -14.402 409 HZ3 LYS 59 3HZ LYS 59 -6.705 -3.734 -14.511 410 H ALA 60 H ALA 60 -2.834 -2.855 -8.191 411 HA ALA 60 HA ALA 60 -4.384 -0.728 -6.869 412 HB1 ALA 60 1HB ALA 60 -1.543 -1.148 -6.098 413 HB2 ALA 60 2HB ALA 60 -2.889 -0.507 -5.155 414 HB3 ALA 60 3HB ALA 60 -2.762 -2.242 -5.443 415 H ASN 61 H ASN 61 -3.315 1.413 -6.954 416 HA ASN 61 HA ASN 61 -1.746 1.719 -9.430 417 HB2 ASN 61 1HB ASN 61 -3.445 3.956 -8.422 418 HB3 ASN 61 2HB ASN 61 -2.999 3.544 -10.075 419 HD21 ASN 61 1HD2 ASN 61 -3.756 0.927 -10.224 420 HD22 ASN 61 2HD2 ASN 61 -5.472 0.805 -10.062 421 H ILE 62 H ILE 62 0.019 3.037 -9.396 422 HA ILE 62 HA ILE 62 0.667 4.320 -6.822 423 HB ILE 62 HB ILE 62 2.649 3.052 -8.715 424 HG12 ILE 62 1HG1 ILE 62 2.115 1.996 -5.974 425 HG13 ILE 62 2HG1 ILE 62 0.974 1.598 -7.255 426 HG21 ILE 62 1HG2 ILE 62 2.920 4.394 -6.039 427 HG22 ILE 62 2HG2 ILE 62 4.162 3.335 -6.704 428 HG23 ILE 62 3HG2 ILE 62 3.713 4.812 -7.557 429 HD11 ILE 62 1HD1 ILE 62 3.919 0.992 -7.209 430 HD12 ILE 62 2HD1 ILE 62 2.590 -0.157 -7.052 431 HD13 ILE 62 3HD1 ILE 62 2.851 0.687 -8.578 432 H ARG 63 H ARG 63 1.457 6.366 -6.872 433 HA ARG 63 HA ARG 63 2.091 7.551 -9.481 434 HB2 ARG 63 1HB ARG 63 -0.237 8.123 -8.980 435 HB3 ARG 63 2HB ARG 63 0.247 8.767 -7.417 436 HG2 ARG 63 1HG ARG 63 1.278 10.623 -8.359 437 HG3 ARG 63 2HG ARG 63 1.398 9.867 -9.949 438 HD2 ARG 63 1HD ARG 63 -1.161 9.886 -9.945 439 HD3 ARG 63 2HD ARG 63 -1.026 11.005 -8.589 440 HE ARG 63 HE ARG 63 -0.557 11.581 -11.351 441 HH11 ARG 63 1HH1 ARG 63 0.312 12.453 -8.095 442 HH12 ARG 63 2HH1 ARG 63 0.772 14.070 -8.511 443 HH21 ARG 63 1HH2 ARG 63 0.046 13.709 -11.912 444 HH22 ARG 63 2HH2 ARG 63 0.619 14.784 -10.683 445 H ASP 64 H ASP 64 3.569 9.249 -9.437 446 HA ASP 64 HA ASP 64 4.980 9.578 -6.873 447 HB2 ASP 64 1HB ASP 64 6.954 10.203 -8.330 448 HB3 ASP 64 2HB ASP 64 6.439 8.521 -8.431 449 H ASN 65 H ASN 65 5.153 11.553 -6.011 450 HA ASN 65 HA ASN 65 3.726 13.736 -7.170 451 HB2 ASN 65 1HB ASN 65 5.245 13.257 -4.655 452 HB3 ASN 65 2HB ASN 65 5.012 14.931 -5.153 453 HD21 ASN 65 1HD2 ASN 65 3.092 11.945 -5.017 454 HD22 ASN 65 2HD2 ASN 65 1.701 12.674 -4.297 455 H GLY 66 H GLY 66 7.149 12.957 -6.728 456 HA2 GLY 66 1HA GLY 66 8.798 13.616 -8.322 457 HA3 GLY 66 2HA GLY 66 7.785 14.984 -8.757 458 H ASP 67 H ASP 67 7.346 15.472 -5.795 459 HA ASP 67 HA ASP 67 9.690 17.160 -5.456 460 HB2 ASP 67 1HB ASP 67 7.833 18.422 -4.945 461 HB3 ASP 67 2HB ASP 67 6.956 17.052 -4.270 462 H GLY 68 H GLY 68 8.250 14.298 -4.083 463 HA2 GLY 68 1HA GLY 68 10.319 13.047 -3.020 464 HA3 GLY 68 2HA GLY 68 10.106 14.318 -1.825 465 H THR 69 H THR 69 7.446 12.814 -3.538 466 HA THR 69 HA THR 69 6.812 11.088 -1.287 467 HB THR 69 HB THR 69 4.550 11.996 -0.992 468 HG1 THR 69 1HG THR 69 3.819 13.338 -2.444 469 HG21 THR 69 1HG2 THR 69 6.349 14.356 -0.649 470 HG22 THR 69 2HG2 THR 69 6.699 12.869 0.232 471 HG23 THR 69 3HG2 THR 69 5.153 13.685 0.459 472 H TYR 70 H TYR 70 4.470 10.117 -1.782 473 HA TYR 70 HA TYR 70 4.012 9.725 -4.619 474 HB2 TYR 70 1HB TYR 70 4.693 7.368 -2.850 475 HB3 TYR 70 2HB TYR 70 4.268 7.310 -4.557 476 HD1 TYR 70 1HD TYR 70 6.807 8.753 -2.239 477 HD2 TYR 70 2HD TYR 70 5.950 7.341 -6.160 478 HE1 TYR 70 1HE TYR 70 9.184 8.974 -2.831 479 HE2 TYR 70 2HE TYR 70 8.325 7.557 -6.763 480 HH TYR 70 HH TYR 70 10.729 8.664 -4.394 481 H THR 71 H THR 71 2.058 8.464 -5.045 482 HA THR 71 HA THR 71 0.222 8.343 -2.749 483 HB THR 71 HB THR 71 -0.446 9.464 -5.478 484 HG1 THR 71 1HG THR 71 -0.523 10.777 -2.955 485 HG21 THR 71 1HG2 THR 71 -2.132 8.816 -3.076 486 HG22 THR 71 2HG2 THR 71 -2.399 8.381 -4.764 487 HG23 THR 71 3HG2 THR 71 -2.620 10.049 -4.238 488 H VAL 72 H VAL 72 -1.095 6.598 -2.672 489 HA VAL 72 HA VAL 72 -1.220 4.843 -5.027 490 HB VAL 72 HB VAL 72 -0.622 3.960 -2.201 491 HG11 VAL 72 1HG1 VAL 72 -2.184 2.412 -3.193 492 HG12 VAL 72 2HG1 VAL 72 -1.211 2.319 -4.663 493 HG13 VAL 72 3HG1 VAL 72 -0.583 1.674 -3.145 494 HG21 VAL 72 1HG2 VAL 72 1.510 3.497 -2.869 495 HG22 VAL 72 2HG2 VAL 72 1.045 3.221 -4.547 496 HG23 VAL 72 3HG2 VAL 72 1.172 4.867 -3.927 497 H SER 73 H SER 73 -3.189 4.033 -5.452 498 HA SER 73 HA SER 73 -5.266 4.293 -3.379 499 HB2 SER 73 1HB SER 73 -6.858 5.029 -5.015 500 HB3 SER 73 2HB SER 73 -5.423 6.037 -5.198 501 HG SER 73 HG SER 73 -5.065 3.965 -6.763 502 H TYR 74 H TYR 74 -6.813 2.681 -3.280 503 HA TYR 74 HA TYR 74 -6.893 0.561 -5.226 504 HB2 TYR 74 1HB TYR 74 -6.147 -1.227 -3.828 505 HB3 TYR 74 2HB TYR 74 -4.899 0.014 -3.782 506 HD1 TYR 74 1HD TYR 74 -4.603 1.398 -1.760 507 HD2 TYR 74 2HD TYR 74 -7.382 -1.822 -1.863 508 HE1 TYR 74 1HE TYR 74 -4.717 1.426 0.696 509 HE2 TYR 74 2HE TYR 74 -7.504 -1.803 0.594 510 HH TYR 74 HH TYR 74 -6.790 -0.856 2.465 511 H LEU 75 H LEU 75 -8.518 -1.100 -4.651 512 HA LEU 75 HA LEU 75 -10.536 -0.068 -2.771 513 HB2 LEU 75 1HB LEU 75 -11.287 0.435 -4.995 514 HB3 LEU 75 2HB LEU 75 -10.960 -1.214 -5.525 515 HG LEU 75 HG LEU 75 -12.750 -1.775 -3.649 516 HD11 LEU 75 1HD1 LEU 75 -13.968 0.751 -4.621 517 HD12 LEU 75 2HD1 LEU 75 -12.814 0.846 -3.291 518 HD13 LEU 75 3HD1 LEU 75 -14.260 -0.152 -3.134 519 HD21 LEU 75 1HD2 LEU 75 -12.705 -1.971 -6.290 520 HD22 LEU 75 2HD2 LEU 75 -13.910 -0.690 -6.159 521 HD23 LEU 75 3HD2 LEU 75 -14.180 -2.240 -5.362 522 HA PRO 76 HA PRO 76 -9.657 -4.296 -1.364 523 HB2 PRO 76 1HB PRO 76 -10.538 -3.855 1.166 524 HB3 PRO 76 2HB PRO 76 -8.918 -3.403 0.620 525 HG2 PRO 76 1HG PRO 76 -11.362 -1.699 0.914 526 HG3 PRO 76 2HG PRO 76 -9.686 -1.338 1.365 527 HD2 PRO 76 1HD PRO 76 -10.819 -0.393 -0.905 528 HD3 PRO 76 2HD PRO 76 -9.092 -0.785 -0.792 529 H ASP 77 H ASP 77 -11.429 -4.917 -2.834 530 HA ASP 77 HA ASP 77 -14.133 -4.685 -2.329 531 HB2 ASP 77 1HB ASP 77 -12.949 -5.721 -4.356 532 HB3 ASP 77 2HB ASP 77 -12.913 -7.214 -3.423 533 H MET 78 H MET 78 -12.015 -7.381 -1.344 534 HA MET 78 HA MET 78 -14.064 -8.506 0.339 535 HB2 MET 78 1HB MET 78 -11.196 -9.209 -0.227 536 HB3 MET 78 2HB MET 78 -12.098 -10.018 1.048 537 HG2 MET 78 1HG MET 78 -12.845 -9.946 -1.867 538 HG3 MET 78 2HG MET 78 -12.108 -11.302 -1.018 539 HE1 MET 78 1HE MET 78 -13.419 -13.176 -0.863 540 HE2 MET 78 2HE MET 78 -13.546 -12.837 0.863 541 HE3 MET 78 3HE MET 78 -14.976 -13.325 -0.047 542 H SER 79 H SER 79 -13.485 -9.082 2.654 543 HA SER 79 HA SER 79 -12.245 -6.741 3.948 544 HB2 SER 79 1HB SER 79 -13.778 -7.180 5.858 545 HB3 SER 79 2HB SER 79 -14.640 -6.797 4.368 546 HG SER 79 HG SER 79 -15.569 -8.663 4.513 547 H GLY 80 H GLY 80 -10.898 -7.063 5.713 548 HA2 GLY 80 1HA GLY 80 -10.334 -8.967 7.396 549 HA3 GLY 80 2HA GLY 80 -9.834 -9.791 5.927 550 H ARG 81 H ARG 81 -7.725 -9.913 6.933 551 HA ARG 81 HA ARG 81 -6.268 -7.421 7.261 552 HB2 ARG 81 1HB ARG 81 -6.024 -9.448 8.785 553 HB3 ARG 81 2HB ARG 81 -5.152 -10.215 7.464 554 HG2 ARG 81 1HG ARG 81 -3.714 -8.025 7.556 555 HG3 ARG 81 2HG ARG 81 -4.347 -7.939 9.201 556 HD2 ARG 81 1HD ARG 81 -2.370 -9.129 9.461 557 HD3 ARG 81 2HD ARG 81 -3.591 -10.399 9.378 558 HE ARG 81 HE ARG 81 -2.502 -9.802 6.813 559 HH11 ARG 81 1HH1 ARG 81 -1.895 -11.517 9.782 560 HH12 ARG 81 2HH1 ARG 81 -0.855 -12.690 9.044 561 HH21 ARG 81 1HH2 ARG 81 -1.135 -11.341 5.830 562 HH22 ARG 81 2HH2 ARG 81 -0.423 -12.588 6.796 563 H TYR 82 H TYR 82 -5.721 -6.469 5.392 564 HA TYR 82 HA TYR 82 -4.955 -8.024 3.077 565 HB2 TYR 82 1HB TYR 82 -5.460 -5.136 3.638 566 HB3 TYR 82 2HB TYR 82 -4.475 -5.555 2.240 567 HD1 TYR 82 2HD TYR 82 -7.819 -5.849 3.754 568 HD2 TYR 82 1HD TYR 82 -5.451 -6.547 0.289 569 HE1 TYR 82 2HE TYR 82 -9.862 -6.271 2.450 570 HE2 TYR 82 1HE TYR 82 -7.487 -6.969 -1.025 571 HH TYR 82 HH TYR 82 -10.706 -6.812 0.474 572 H THR 83 H THR 83 -2.938 -8.205 2.202 573 HA THR 83 HA THR 83 -0.714 -7.339 3.918 574 HB THR 83 HB THR 83 -0.586 -9.413 1.728 575 HG1 THR 83 1HG THR 83 -0.827 -10.935 3.435 576 HG21 THR 83 1HG2 THR 83 1.465 -8.178 2.900 577 HG22 THR 83 2HG2 THR 83 1.525 -9.884 2.456 578 HG23 THR 83 3HG2 THR 83 1.173 -9.418 4.120 579 H ILE 84 H ILE 84 -0.089 -5.365 3.228 580 HA ILE 84 HA ILE 84 0.212 -4.886 0.356 581 HB ILE 84 HB ILE 84 0.534 -2.906 2.612 582 HG12 ILE 84 1HG1 ILE 84 -1.869 -3.208 0.812 583 HG13 ILE 84 2HG1 ILE 84 -1.766 -3.986 2.388 584 HG21 ILE 84 1HG2 ILE 84 0.154 -1.257 0.779 585 HG22 ILE 84 2HG2 ILE 84 1.654 -2.172 0.632 586 HG23 ILE 84 3HG2 ILE 84 0.264 -2.589 -0.371 587 HD11 ILE 84 1HD1 ILE 84 -3.018 -1.913 2.508 588 HD12 ILE 84 2HD1 ILE 84 -1.530 -1.803 3.448 589 HD13 ILE 84 3HD1 ILE 84 -1.635 -1.026 1.869 590 H THR 85 H THR 85 2.111 -5.461 -0.466 591 HA THR 85 HA THR 85 4.524 -5.269 1.181 592 HB THR 85 HB THR 85 4.142 -6.572 -1.522 593 HG1 THR 85 1HG THR 85 4.587 -7.902 0.939 594 HG21 THR 85 1HG2 THR 85 6.394 -7.492 0.025 595 HG22 THR 85 2HG2 THR 85 6.499 -5.753 -0.252 596 HG23 THR 85 3HG2 THR 85 6.351 -6.857 -1.619 597 H ILE 86 H ILE 86 5.520 -3.363 1.088 598 HA ILE 86 HA ILE 86 5.608 -1.937 -1.484 599 HB ILE 86 HB ILE 86 6.061 -0.875 1.307 600 HG12 ILE 86 1HG1 ILE 86 3.805 -0.378 -0.648 601 HG13 ILE 86 2HG1 ILE 86 3.703 -1.412 0.773 602 HG21 ILE 86 1HG2 ILE 86 7.334 0.601 0.162 603 HG22 ILE 86 2HG2 ILE 86 6.545 0.255 -1.376 604 HG23 ILE 86 3HG2 ILE 86 5.766 1.320 -0.206 605 HD11 ILE 86 1HD1 ILE 86 4.651 1.176 1.533 606 HD12 ILE 86 2HD1 ILE 86 3.164 1.327 0.596 607 HD13 ILE 86 3HD1 ILE 86 3.196 0.320 2.043 608 H LYS 87 H LYS 87 7.450 -1.978 -2.571 609 HA LYS 87 HA LYS 87 9.971 -2.266 -1.074 610 HB2 LYS 87 1HB LYS 87 9.158 -3.612 -3.651 611 HB3 LYS 87 2HB LYS 87 10.821 -3.545 -3.083 612 HG2 LYS 87 1HG LYS 87 9.722 -4.558 -0.896 613 HG3 LYS 87 2HG LYS 87 8.526 -5.120 -2.066 614 HD2 LYS 87 1HD LYS 87 11.402 -5.509 -2.712 615 HD3 LYS 87 2HD LYS 87 10.684 -6.542 -1.473 616 HE2 LYS 87 1HE LYS 87 10.354 -7.757 -3.423 617 HE3 LYS 87 2HE LYS 87 8.812 -6.931 -3.206 618 HZ1 LYS 87 1HZ LYS 87 10.884 -5.633 -4.826 619 HZ2 LYS 87 2HZ LYS 87 9.200 -5.547 -4.962 620 HZ3 LYS 87 3HZ LYS 87 10.023 -6.922 -5.504 621 H TYR 88 H TYR 88 11.591 -0.910 -1.622 622 HA TYR 88 HA TYR 88 11.057 0.978 -3.817 623 HB2 TYR 88 1HB TYR 88 11.268 1.777 -1.364 624 HB3 TYR 88 2HB TYR 88 12.992 1.488 -1.572 625 HD1 TYR 88 1HD TYR 88 10.121 3.449 -2.846 626 HD2 TYR 88 2HD TYR 88 14.354 3.031 -2.741 627 HE1 TYR 88 1HE TYR 88 10.360 5.668 -3.880 628 HE2 TYR 88 2HE TYR 88 14.604 5.249 -3.773 629 HH TYR 88 HH TYR 88 12.446 6.770 -5.407 630 H GLY 89 H GLY 89 12.406 1.052 -5.500 631 HA2 GLY 89 1HA GLY 89 14.056 0.239 -6.914 632 HA3 GLY 89 2HA GLY 89 15.086 0.931 -5.669 633 H GLY 90 H GLY 90 12.990 -1.846 -5.176 634 HA2 GLY 90 1HA GLY 90 13.522 -4.116 -5.071 635 HA3 GLY 90 2HA GLY 90 15.185 -3.720 -5.477 636 H ASP 91 H ASP 91 13.357 -2.241 -2.865 637 HA ASP 91 HA ASP 91 14.798 -3.840 -0.889 638 HB2 ASP 91 1HB ASP 91 15.178 -0.932 -1.386 639 HB3 ASP 91 2HB ASP 91 15.120 -1.462 0.293 640 H GLU 92 H GLU 92 13.163 -4.681 0.236 641 HA GLU 92 HA GLU 92 10.623 -3.480 0.523 642 HB2 GLU 92 1HB GLU 92 11.221 -5.953 0.719 643 HB3 GLU 92 2HB GLU 92 11.761 -5.588 2.352 644 HG2 GLU 92 1HG GLU 92 9.462 -4.672 2.791 645 HG3 GLU 92 2HG GLU 92 8.983 -5.350 1.237 646 H ILE 93 H ILE 93 9.963 -1.925 1.842 647 HA ILE 93 HA ILE 93 11.643 -0.551 3.595 648 HB ILE 93 HB ILE 93 9.493 0.415 4.536 649 HG12 ILE 93 1HG1 ILE 93 8.265 -1.252 2.330 650 HG13 ILE 93 2HG1 ILE 93 8.096 -1.583 4.050 651 HG21 ILE 93 1HG2 ILE 93 10.059 0.474 1.580 652 HG22 ILE 93 2HG2 ILE 93 8.939 1.574 2.381 653 HG23 ILE 93 3HG2 ILE 93 10.648 1.585 2.815 654 HD11 ILE 93 1HD1 ILE 93 7.007 0.733 2.488 655 HD12 ILE 93 2HD1 ILE 93 6.124 -0.492 3.400 656 HD13 ILE 93 3HD1 ILE 93 7.080 0.723 4.250 657 HA PRO 94 HA PRO 94 11.646 -2.859 7.333 658 HB2 PRO 94 1HB PRO 94 11.861 -0.861 9.158 659 HB3 PRO 94 2HB PRO 94 13.198 -1.354 8.111 660 HG2 PRO 94 1HG PRO 94 11.307 0.948 7.812 661 HG3 PRO 94 2HG PRO 94 13.062 0.901 7.560 662 HD2 PRO 94 1HD PRO 94 11.292 0.796 5.513 663 HD3 PRO 94 2HD PRO 94 12.862 -0.032 5.462 664 H TYR 95 H TYR 95 9.049 -1.109 6.344 665 HA TYR 95 HA TYR 95 7.533 -1.543 8.826 666 HB2 TYR 95 1HB TYR 95 7.173 0.327 6.507 667 HB3 TYR 95 2HB TYR 95 5.798 -0.100 7.518 668 HD1 TYR 95 1HD TYR 95 9.375 0.707 8.260 669 HD2 TYR 95 2HD TYR 95 5.279 1.636 8.942 670 HE1 TYR 95 1HE TYR 95 10.043 2.430 9.884 671 HE2 TYR 95 2HE TYR 95 5.936 3.362 10.567 672 HH TYR 95 HH TYR 95 8.174 3.671 12.119 673 H SER 96 H SER 96 7.947 -2.636 5.608 674 HA SER 96 HA SER 96 5.334 -3.893 5.450 675 HB2 SER 96 1HB SER 96 5.891 -3.297 3.311 676 HB3 SER 96 2HB SER 96 7.622 -3.480 3.598 677 HG SER 96 HG SER 96 7.454 -5.642 3.285 678 HA PRO 97 HA PRO 97 4.636 -5.694 4.079 679 HB2 PRO 97 1HB PRO 97 2.924 -7.541 5.092 680 HB3 PRO 97 2HB PRO 97 4.187 -7.942 3.923 681 HG2 PRO 97 1HG PRO 97 4.183 -8.281 6.897 682 HG3 PRO 97 2HG PRO 97 4.752 -9.400 5.644 683 HD2 PRO 97 1HD PRO 97 6.437 -7.836 7.073 684 HD3 PRO 97 2HD PRO 97 6.757 -8.293 5.388 685 H PHE 98 H PHE 98 2.842 -4.434 4.355 686 HA PHE 98 HA PHE 98 2.438 -3.309 6.993 687 HB2 PHE 98 1HB PHE 98 1.696 -2.572 4.214 688 HB3 PHE 98 2HB PHE 98 0.621 -2.016 5.493 689 HD1 PHE 98 2HD PHE 98 2.095 -1.114 7.631 690 HD2 PHE 98 1HD PHE 98 3.222 -1.021 3.527 691 HE1 PHE 98 2HE PHE 98 3.618 0.762 8.095 692 HE2 PHE 98 1HE PHE 98 4.747 0.855 3.985 693 HZ PHE 98 HZ PHE 98 4.945 1.750 6.271 694 H ARG 99 H ARG 99 1.193 -4.427 8.351 695 HA ARG 99 HA ARG 99 -0.966 -6.093 7.423 696 HB2 ARG 99 1HB ARG 99 -0.067 -5.361 10.216 697 HB3 ARG 99 2HB ARG 99 -1.318 -6.540 9.845 698 HG2 ARG 99 1HG ARG 99 0.194 -8.065 8.979 699 HG3 ARG 99 2HG ARG 99 1.423 -6.832 8.691 700 HD2 ARG 99 1HD ARG 99 0.505 -7.512 11.464 701 HD3 ARG 99 2HD ARG 99 1.760 -8.451 10.657 702 HE ARG 99 HE ARG 99 2.063 -5.903 11.861 703 HH11 ARG 99 1HH1 ARG 99 3.119 -7.808 9.145 704 HH12 ARG 99 2HH1 ARG 99 4.638 -6.988 8.994 705 HH21 ARG 99 1HH2 ARG 99 4.059 -4.816 11.672 706 HH22 ARG 99 2HH2 ARG 99 5.172 -5.287 10.433 707 H ILE 100 H ILE 100 -2.676 -4.999 6.633 708 HA ILE 100 HA ILE 100 -3.825 -2.861 8.304 709 HB ILE 100 HB ILE 100 -4.358 -3.295 5.367 710 HG12 ILE 100 1HG1 ILE 100 -1.988 -2.785 5.668 711 HG13 ILE 100 2HG1 ILE 100 -2.823 -1.403 4.967 712 HG21 ILE 100 1HG2 ILE 100 -5.020 -1.124 7.333 713 HG22 ILE 100 2HG2 ILE 100 -5.034 -0.844 5.592 714 HG23 ILE 100 3HG2 ILE 100 -6.111 -2.048 6.300 715 HD11 ILE 100 1HD1 ILE 100 -2.835 -1.185 7.817 716 HD12 ILE 100 2HD1 ILE 100 -1.191 -1.460 7.240 717 HD13 ILE 100 3HD1 ILE 100 -2.131 -0.106 6.614 718 H HIS 101 H HIS 101 -5.997 -2.893 8.801 719 HA HIS 101 HA HIS 101 -7.377 -5.433 8.246 720 HB2 HIS 101 1HB HIS 101 -6.785 -4.554 10.674 721 HB3 HIS 101 2HB HIS 101 -8.256 -3.613 10.445 722 HD1 HIS 101 1HD HIS 101 -7.237 -6.640 11.894 723 HD2 HIS 101 2HD HIS 101 -10.430 -5.567 9.462 724 HE1 HIS 101 1HE HIS 101 -8.971 -8.429 12.234 725 HE2 HIS 101 2HE HIS 101 -10.859 -7.803 10.688 726 H ALA 102 H ALA 102 -9.392 -5.439 7.375 727 HA ALA 102 HA ALA 102 -10.534 -2.814 6.668 728 HB1 ALA 102 1HB ALA 102 -10.221 -5.318 5.088 729 HB2 ALA 102 2HB ALA 102 -11.606 -4.273 4.766 730 HB3 ALA 102 3HB ALA 102 -9.967 -3.640 4.608 731 H LEU 103 H LEU 103 -12.371 -2.389 7.684 732 HA LEU 103 HA LEU 103 -13.961 -4.589 8.769 733 HB2 LEU 103 1HB LEU 103 -14.409 -1.650 9.209 734 HB3 LEU 103 2HB LEU 103 -14.992 -2.997 10.184 735 HG LEU 103 HG LEU 103 -12.058 -2.416 9.940 736 HD11 LEU 103 1HD1 LEU 103 -12.970 -1.397 12.383 737 HD12 LEU 103 2HD1 LEU 103 -14.035 -0.724 11.149 738 HD13 LEU 103 3HD1 LEU 103 -12.291 -0.498 11.026 739 HD21 LEU 103 1HD2 LEU 103 -12.939 -4.577 10.889 740 HD22 LEU 103 2HD2 LEU 103 -13.638 -3.625 12.200 741 HD23 LEU 103 3HD2 LEU 103 -11.890 -3.647 11.960 742 HA PRO 104 HA PRO 104 -17.024 -4.268 5.617 743 HB2 PRO 104 1HB PRO 104 -19.101 -5.404 6.947 744 HB3 PRO 104 2HB PRO 104 -17.738 -6.337 6.317 745 HG2 PRO 104 1HG PRO 104 -18.241 -5.365 9.104 746 HG3 PRO 104 2HG PRO 104 -17.642 -6.943 8.560 747 HD2 PRO 104 1HD PRO 104 -16.002 -5.013 9.516 748 HD3 PRO 104 2HD PRO 104 -15.492 -6.166 8.267 749 H THR 105 H THR 105 -17.730 -2.264 5.162 750 HA THR 105 HA THR 105 -19.076 -0.654 7.162 751 HB THR 105 HB THR 105 -17.470 0.389 5.596 752 HG1 THR 105 1HG THR 105 -20.184 1.230 5.545 753 HG21 THR 105 1HG2 THR 105 -17.742 0.461 3.313 754 HG22 THR 105 2HG2 THR 105 -19.488 0.231 3.405 755 HG23 THR 105 3HG2 THR 105 -18.404 -1.135 3.662 756 H GLY 106 H GLY 106 -21.206 -0.573 7.444 757 HA2 GLY 106 1HA GLY 106 -22.961 -2.079 5.734 758 HA3 GLY 106 2HA GLY 106 -23.425 -1.163 7.161 759 H ASP 107 H ASP 107 -25.077 -1.105 5.029 760 HA ASP 107 HA ASP 107 -26.146 0.250 3.541 761 HB2 ASP 107 1HB ASP 107 -24.977 2.106 5.562 762 HB3 ASP 107 2HB ASP 107 -25.698 2.805 4.115 763 H ALA 108 H ALA 108 -23.726 -0.760 2.592 764 HA ALA 108 HA ALA 108 -22.998 1.352 0.699 765 HB1 ALA 108 1HB ALA 108 -20.778 -0.370 1.647 766 HB2 ALA 108 2HB ALA 108 -20.759 1.304 1.089 767 HB3 ALA 108 3HB ALA 108 -21.323 0.923 2.716 768 H SER 109 H SER 109 -23.006 0.652 -1.341 769 HA SER 109 HA SER 109 -23.967 -1.750 -2.184 770 HB2 SER 109 1HB SER 109 -23.713 0.096 -3.725 771 HB3 SER 109 2HB SER 109 -21.956 0.026 -3.585 772 HG SER 109 HG SER 109 -23.322 -1.150 -5.390 773 H SER 110 H SER 110 -22.952 -3.583 -3.255 774 HA SER 110 HA SER 110 -20.805 -4.643 -1.667 775 HB2 SER 110 1HB SER 110 -22.299 -5.792 -4.035 776 HB3 SER 110 2HB SER 110 -21.112 -6.679 -3.078 777 HG SER 110 HG SER 110 -22.510 -6.149 -1.233 778 H GLY 111 H GLY 111 -18.766 -4.073 -2.045 779 HA2 GLY 111 1HA GLY 111 -16.886 -3.354 -3.181 780 HA3 GLY 111 2HA GLY 111 -17.251 -4.745 -4.191 781 HA PRO 112 HA PRO 112 -19.269 -0.923 -6.373 782 HB2 PRO 112 1HB PRO 112 -18.622 1.517 -5.375 783 HB3 PRO 112 2HB PRO 112 -20.029 0.598 -4.828 784 HG2 PRO 112 1HG PRO 112 -17.328 0.860 -3.563 785 HG3 PRO 112 2HG PRO 112 -18.929 0.901 -2.801 786 HD2 PRO 112 1HD PRO 112 -17.356 -1.303 -2.768 787 HD3 PRO 112 2HD PRO 112 -19.129 -1.395 -2.805 788 H SER 113 H SER 113 -18.388 0.644 -7.914 789 HA SER 113 HA SER 113 -15.563 1.175 -7.920 790 HB2 SER 113 1HB SER 113 -15.123 -0.043 -10.051 791 HB3 SER 113 2HB SER 113 -15.483 -1.120 -8.702 792 HG SER 113 HG SER 113 -16.825 -0.761 -11.041 793 H SER 114 H SER 114 -14.900 2.419 -9.842 794 HA SER 114 HA SER 114 -16.574 4.551 -10.366 795 HB2 SER 114 1HB SER 114 -14.185 4.687 -10.774 796 HB3 SER 114 2HB SER 114 -14.300 3.478 -12.053 797 HG SER 114 HG SER 114 -15.550 4.945 -13.248 798 H GLY 115 H GLY 115 -16.035 1.646 -12.336 799 HA2 GLY 115 1HA GLY 115 -17.981 0.663 -13.439 800 HA3 GLY 115 2HA GLY 115 -18.529 2.299 -13.776 Start of MODEL 16 1 H1 GLY 1 H GLY 1 24.936 -14.484 -6.839 2 HA2 GLY 1 1HA GLY 1 23.613 -12.005 -6.865 3 HA3 GLY 1 2HA GLY 1 24.942 -12.438 -5.799 4 H SER 2 H SER 2 24.160 -9.994 -7.502 5 HA SER 2 HA SER 2 26.286 -9.705 -9.393 6 HB2 SER 2 1HB SER 2 24.057 -8.508 -9.490 7 HB3 SER 2 2HB SER 2 24.633 -7.488 -8.172 8 HG SER 2 HG SER 2 25.393 -7.551 -10.844 9 H SER 3 H SER 3 28.340 -9.484 -8.830 10 HA SER 3 HA SER 3 29.023 -8.302 -6.249 11 HB2 SER 3 1HB SER 3 30.011 -10.508 -7.223 12 HB3 SER 3 2HB SER 3 31.031 -9.432 -8.178 13 HG SER 3 HG SER 3 31.540 -10.221 -5.796 14 H GLY 4 H GLY 4 28.587 -6.114 -6.715 15 HA2 GLY 4 1HA GLY 4 30.806 -4.706 -7.854 16 HA3 GLY 4 2HA GLY 4 29.378 -4.615 -8.874 17 H SER 5 H SER 5 27.324 -3.992 -7.617 18 HA SER 5 HA SER 5 27.879 -2.118 -5.445 19 HB2 SER 5 1HB SER 5 26.896 -1.389 -8.169 20 HB3 SER 5 2HB SER 5 26.229 -0.526 -6.784 21 HG SER 5 HG SER 5 28.164 0.322 -6.353 22 H SER 6 H SER 6 26.150 -1.744 -4.080 23 HA SER 6 HA SER 6 23.976 -3.669 -4.311 24 HB2 SER 6 1HB SER 6 24.700 -1.806 -2.035 25 HB3 SER 6 2HB SER 6 23.481 -3.079 -1.977 26 HG SER 6 HG SER 6 26.275 -3.281 -2.037 27 H GLY 7 H GLY 7 24.260 -0.199 -3.507 28 HA2 GLY 7 1HA GLY 7 22.645 0.999 -5.247 29 HA3 GLY 7 2HA GLY 7 21.463 0.192 -4.228 30 H ALA 8 H ALA 8 21.726 3.015 -4.610 31 HA ALA 8 HA ALA 8 22.650 3.884 -1.952 32 HB1 ALA 8 1HB ALA 8 22.938 6.082 -2.844 33 HB2 ALA 8 2HB ALA 8 23.724 4.945 -3.939 34 HB3 ALA 8 3HB ALA 8 22.153 5.629 -4.357 35 H HIS 9 H HIS 9 20.148 2.595 -2.259 36 HA HIS 9 HA HIS 9 18.272 4.826 -1.829 37 HB2 HIS 9 1HB HIS 9 16.471 3.236 -2.414 38 HB3 HIS 9 2HB HIS 9 17.620 3.454 -3.731 39 HD1 HIS 9 1HD HIS 9 18.925 1.415 -4.502 40 HD2 HIS 9 2HD HIS 9 16.593 0.694 -1.140 41 HE1 HIS 9 1HE HIS 9 18.960 -1.079 -4.182 42 HE2 HIS 9 2HE HIS 9 17.473 -1.499 -2.193 43 H ASP 10 H ASP 10 16.945 4.810 -0.031 44 HA ASP 10 HA ASP 10 17.482 2.712 1.965 45 HB2 ASP 10 1HB ASP 10 17.617 5.682 2.233 46 HB3 ASP 10 2HB ASP 10 17.030 4.748 3.607 47 H ALA 11 H ALA 11 15.615 1.584 1.851 48 HA ALA 11 HA ALA 11 13.064 2.676 1.386 49 HB1 ALA 11 1HB ALA 11 12.344 0.546 1.426 50 HB2 ALA 11 2HB ALA 11 14.066 0.165 1.437 51 HB3 ALA 11 3HB ALA 11 13.159 0.188 2.949 52 H SER 12 H SER 12 14.918 2.192 4.307 53 HA SER 12 HA SER 12 12.832 2.430 6.181 54 HB2 SER 12 1HB SER 12 15.312 1.719 6.519 55 HB3 SER 12 2HB SER 12 15.609 3.445 6.727 56 HG SER 12 HG SER 12 15.015 2.002 8.639 57 H LYS 13 H LYS 13 14.045 4.677 4.013 58 HA LYS 13 HA LYS 13 13.440 6.993 5.685 59 HB2 LYS 13 1HB LYS 13 14.542 6.778 2.878 60 HB3 LYS 13 2HB LYS 13 14.250 8.297 3.715 61 HG2 LYS 13 1HG LYS 13 15.981 6.246 5.005 62 HG3 LYS 13 2HG LYS 13 16.629 7.218 3.682 63 HD2 LYS 13 1HD LYS 13 17.192 8.418 5.612 64 HD3 LYS 13 2HD LYS 13 15.759 9.241 4.992 65 HE2 LYS 13 1HE LYS 13 14.410 8.451 6.681 66 HE3 LYS 13 2HE LYS 13 15.423 7.038 6.973 67 HZ1 LYS 13 1HZ LYS 13 15.842 9.819 7.867 68 HZ2 LYS 13 2HZ LYS 13 17.135 8.732 7.782 69 HZ3 LYS 13 3HZ LYS 13 15.817 8.402 8.791 70 H VAL 14 H VAL 14 11.617 4.903 4.090 71 HA VAL 14 HA VAL 14 9.929 6.809 2.668 72 HB VAL 14 HB VAL 14 9.647 3.817 2.987 73 HG11 VAL 14 1HG1 VAL 14 7.502 4.349 2.478 74 HG12 VAL 14 2HG1 VAL 14 7.942 5.888 1.736 75 HG13 VAL 14 3HG1 VAL 14 8.160 4.383 0.843 76 HG21 VAL 14 1HG2 VAL 14 10.140 4.203 0.375 77 HG22 VAL 14 2HG2 VAL 14 11.066 5.542 1.055 78 HG23 VAL 14 3HG2 VAL 14 11.404 3.888 1.564 79 H ARG 15 H ARG 15 8.315 7.819 3.647 80 HA ARG 15 HA ARG 15 7.325 6.799 6.202 81 HB2 ARG 15 1HB ARG 15 7.401 9.461 4.879 82 HB3 ARG 15 2HB ARG 15 6.061 9.143 5.972 83 HG2 ARG 15 1HG ARG 15 8.827 8.548 6.892 84 HG3 ARG 15 2HG ARG 15 8.287 10.227 6.829 85 HD2 ARG 15 1HD ARG 15 6.210 9.342 8.104 86 HD3 ARG 15 2HD ARG 15 7.241 7.962 8.481 87 HE ARG 15 HE ARG 15 8.539 10.422 9.072 88 HH11 ARG 15 1HH1 ARG 15 6.133 8.195 10.244 89 HH12 ARG 15 2HH1 ARG 15 6.349 8.634 11.907 90 HH21 ARG 15 1HH2 ARG 15 8.833 11.008 11.257 91 HH22 ARG 15 2HH2 ARG 15 7.884 10.235 12.481 92 H ALA 16 H ALA 16 5.417 5.828 6.392 93 HA ALA 16 HA ALA 16 3.536 6.004 4.130 94 HB1 ALA 16 1HB ALA 16 3.598 3.786 4.112 95 HB2 ALA 16 2HB ALA 16 4.599 3.756 5.564 96 HB3 ALA 16 3HB ALA 16 2.842 3.794 5.705 97 H SER 17 H SER 17 1.812 7.209 4.532 98 HA SER 17 HA SER 17 0.402 6.928 7.060 99 HB2 SER 17 1HB SER 17 0.255 9.409 7.350 100 HB3 SER 17 2HB SER 17 1.884 8.771 7.571 101 HG SER 17 HG SER 17 2.466 10.096 6.064 102 H GLY 18 H GLY 18 -1.775 7.694 6.989 103 HA2 GLY 18 1HA GLY 18 -3.360 9.000 5.468 104 HA3 GLY 18 2HA GLY 18 -2.791 7.893 4.228 105 HA PRO 19 HA PRO 19 -6.611 6.184 6.349 106 HB2 PRO 19 1HB PRO 19 -8.125 5.996 4.104 107 HB3 PRO 19 2HB PRO 19 -8.075 7.448 5.110 108 HG2 PRO 19 1HG PRO 19 -6.626 6.862 2.557 109 HG3 PRO 19 2HG PRO 19 -7.444 8.352 3.062 110 HD2 PRO 19 1HD PRO 19 -4.757 8.045 3.203 111 HD3 PRO 19 2HD PRO 19 -5.667 9.035 4.362 112 H GLY 20 H GLY 20 -5.253 5.406 3.148 113 HA2 GLY 20 1HA GLY 20 -6.095 2.742 3.018 114 HA3 GLY 20 2HA GLY 20 -4.695 3.400 2.185 115 H LEU 21 H LEU 21 -3.518 4.192 4.835 116 HA LEU 21 HA LEU 21 -2.503 1.523 5.544 117 HB2 LEU 21 1HB LEU 21 -1.220 4.234 5.856 118 HB3 LEU 21 2HB LEU 21 -0.506 2.708 6.375 119 HG LEU 21 HG LEU 21 -1.205 3.285 3.504 120 HD11 LEU 21 1HD1 LEU 21 1.614 3.374 4.133 121 HD12 LEU 21 2HD1 LEU 21 0.719 4.637 4.978 122 HD13 LEU 21 3HD1 LEU 21 0.624 4.514 3.222 123 HD21 LEU 21 1HD2 LEU 21 -0.904 1.014 3.659 124 HD22 LEU 21 2HD2 LEU 21 0.254 1.145 4.982 125 HD23 LEU 21 3HD2 LEU 21 0.746 1.546 3.336 126 H ASN 22 H ASN 22 -4.925 2.473 6.655 127 HA ASN 22 HA ASN 22 -4.430 3.562 9.262 128 HB2 ASN 22 1HB ASN 22 -6.571 3.800 7.875 129 HB3 ASN 22 2HB ASN 22 -6.952 2.159 8.390 130 HD21 ASN 22 1HD2 ASN 22 -8.175 2.016 10.114 131 HD22 ASN 22 2HD2 ASN 22 -8.301 3.187 11.379 132 H ALA 23 H ALA 23 -3.672 2.468 10.938 133 HA ALA 23 HA ALA 23 -3.517 -0.403 10.910 134 HB1 ALA 23 1HB ALA 23 -1.844 -0.101 12.345 135 HB2 ALA 23 2HB ALA 23 -2.070 1.633 12.116 136 HB3 ALA 23 3HB ALA 23 -2.868 0.810 13.455 137 H SER 24 H SER 24 -5.675 1.959 12.184 138 HA SER 24 HA SER 24 -6.781 0.300 14.252 139 HB2 SER 24 1HB SER 24 -7.453 2.967 13.070 140 HB3 SER 24 2HB SER 24 -8.664 2.133 14.044 141 HG SER 24 HG SER 24 -6.748 1.918 15.579 142 H GLY 25 H GLY 25 -7.242 0.658 10.866 143 HA2 GLY 25 1HA GLY 25 -8.442 -1.344 9.923 144 HA3 GLY 25 2HA GLY 25 -9.738 -0.914 11.029 145 H ILE 26 H ILE 26 -9.215 -0.978 7.941 146 HA ILE 26 HA ILE 26 -10.280 1.707 7.376 147 HB ILE 26 HB ILE 26 -9.625 1.289 5.023 148 HG12 ILE 26 1HG1 ILE 26 -7.970 -1.031 5.943 149 HG13 ILE 26 2HG1 ILE 26 -9.653 -1.297 5.503 150 HG21 ILE 26 1HG2 ILE 26 -8.154 2.420 6.742 151 HG22 ILE 26 2HG2 ILE 26 -7.268 0.900 6.847 152 HG23 ILE 26 3HG2 ILE 26 -7.334 1.778 5.320 153 HD11 ILE 26 1HD1 ILE 26 -9.129 -0.199 3.303 154 HD12 ILE 26 2HD1 ILE 26 -7.429 -0.278 3.766 155 HD13 ILE 26 3HD1 ILE 26 -8.364 -1.762 3.587 156 HA PRO 27 HA PRO 27 -14.200 -0.019 6.364 157 HB2 PRO 27 1HB PRO 27 -15.107 1.912 4.685 158 HB3 PRO 27 2HB PRO 27 -14.999 2.134 6.435 159 HG2 PRO 27 1HG PRO 27 -13.119 3.043 4.290 160 HG3 PRO 27 2HG PRO 27 -13.696 3.922 5.718 161 HD2 PRO 27 1HD PRO 27 -11.262 2.740 5.621 162 HD3 PRO 27 2HD PRO 27 -12.197 2.877 7.123 163 H ALA 28 H ALA 28 -14.118 -1.828 5.146 164 HA ALA 28 HA ALA 28 -12.892 -2.066 2.630 165 HB1 ALA 28 1HB ALA 28 -14.637 -3.735 4.314 166 HB2 ALA 28 2HB ALA 28 -14.670 -4.094 2.587 167 HB3 ALA 28 3HB ALA 28 -13.143 -4.142 3.468 168 H SER 29 H SER 29 -14.154 -2.833 0.644 169 HA SER 29 HA SER 29 -15.493 -2.265 -1.106 170 HB2 SER 29 1HB SER 29 -17.560 -1.644 1.015 171 HB3 SER 29 2HB SER 29 -17.861 -2.063 -0.671 172 HG SER 29 HG SER 29 -18.111 -3.954 0.341 173 H LEU 30 H LEU 30 -13.760 -0.274 -0.339 174 HA LEU 30 HA LEU 30 -15.101 2.047 -1.380 175 HB2 LEU 30 1HB LEU 30 -15.660 2.264 0.971 176 HB3 LEU 30 2HB LEU 30 -13.963 2.092 1.411 177 HG LEU 30 HG LEU 30 -13.732 4.244 -0.125 178 HD11 LEU 30 1HD1 LEU 30 -15.572 5.600 -0.280 179 HD12 LEU 30 2HD1 LEU 30 -16.387 4.840 1.086 180 HD13 LEU 30 3HD1 LEU 30 -16.321 4.015 -0.471 181 HD21 LEU 30 1HD2 LEU 30 -13.407 3.773 2.454 182 HD22 LEU 30 2HD2 LEU 30 -14.862 4.763 2.576 183 HD23 LEU 30 3HD2 LEU 30 -13.413 5.415 1.809 184 HA PRO 31 HA PRO 31 -11.057 2.561 -3.061 185 HB2 PRO 31 1HB PRO 31 -11.321 5.109 -3.958 186 HB3 PRO 31 2HB PRO 31 -12.081 3.727 -4.755 187 HG2 PRO 31 1HG PRO 31 -13.273 5.705 -2.850 188 HG3 PRO 31 2HG PRO 31 -13.956 5.040 -4.345 189 HD2 PRO 31 1HD PRO 31 -14.657 4.132 -1.892 190 HD3 PRO 31 2HD PRO 31 -14.611 3.081 -3.321 191 H VAL 32 H VAL 32 -9.599 2.572 -1.391 192 HA VAL 32 HA VAL 32 -9.246 5.103 0.073 193 HB VAL 32 HB VAL 32 -9.713 3.006 1.409 194 HG11 VAL 32 1HG1 VAL 32 -8.206 1.603 -0.093 195 HG12 VAL 32 2HG1 VAL 32 -6.857 2.290 0.813 196 HG13 VAL 32 3HG1 VAL 32 -8.083 1.332 1.645 197 HG21 VAL 32 1HG2 VAL 32 -7.959 3.506 3.090 198 HG22 VAL 32 2HG2 VAL 32 -7.146 4.515 1.894 199 HG23 VAL 32 3HG2 VAL 32 -8.757 4.950 2.465 200 H GLU 33 H GLU 33 -7.258 6.087 0.152 201 HA GLU 33 HA GLU 33 -5.022 4.824 -1.251 202 HB2 GLU 33 1HB GLU 33 -4.571 6.923 -2.493 203 HB3 GLU 33 2HB GLU 33 -6.080 6.155 -2.966 204 HG2 GLU 33 1HG GLU 33 -6.741 8.332 -2.822 205 HG3 GLU 33 2HG GLU 33 -7.113 7.774 -1.192 206 H PHE 34 H PHE 34 -3.055 5.287 -0.405 207 HA PHE 34 HA PHE 34 -3.023 7.086 1.921 208 HB2 PHE 34 1HB PHE 34 -0.892 5.780 2.485 209 HB3 PHE 34 2HB PHE 34 -2.422 4.922 2.639 210 HD1 PHE 34 1HD PHE 34 -3.111 3.327 0.842 211 HD2 PHE 34 2HD PHE 34 0.781 5.040 1.010 212 HE1 PHE 34 1HE PHE 34 -2.275 1.564 -0.657 213 HE2 PHE 34 2HE PHE 34 1.624 3.281 -0.489 214 HZ PHE 34 HZ PHE 34 0.096 1.541 -1.326 215 H THR 35 H THR 35 -0.489 7.685 2.307 216 HA THR 35 HA THR 35 0.509 8.820 -0.220 217 HB THR 35 HB THR 35 0.362 10.268 2.432 218 HG1 THR 35 1HG THR 35 -1.608 10.093 1.100 219 HG21 THR 35 1HG2 THR 35 1.610 11.975 1.555 220 HG22 THR 35 2HG2 THR 35 1.147 11.606 -0.106 221 HG23 THR 35 3HG2 THR 35 2.352 10.614 0.715 222 H ILE 36 H ILE 36 2.518 8.187 -0.613 223 HA ILE 36 HA ILE 36 4.180 7.257 1.617 224 HB ILE 36 HB ILE 36 4.445 6.804 -1.355 225 HG12 ILE 36 1HG1 ILE 36 2.651 5.524 -0.244 226 HG13 ILE 36 2HG1 ILE 36 3.949 4.476 -0.807 227 HG21 ILE 36 1HG2 ILE 36 6.588 6.333 -1.031 228 HG22 ILE 36 2HG2 ILE 36 6.434 6.707 0.684 229 HG23 ILE 36 3HG2 ILE 36 6.123 5.070 0.108 230 HD11 ILE 36 1HD1 ILE 36 4.141 3.639 1.224 231 HD12 ILE 36 2HD1 ILE 36 4.540 5.237 1.854 232 HD13 ILE 36 3HD1 ILE 36 2.859 4.708 1.792 233 H ASP 37 H ASP 37 4.841 9.312 2.356 234 HA ASP 37 HA ASP 37 6.204 11.129 0.583 235 HB2 ASP 37 1HB ASP 37 5.047 12.192 2.340 236 HB3 ASP 37 2HB ASP 37 5.691 11.084 3.549 237 H ALA 38 H ALA 38 8.051 10.287 -0.237 238 HA ALA 38 HA ALA 38 10.132 9.533 1.706 239 HB1 ALA 38 1HB ALA 38 8.986 7.886 -0.300 240 HB2 ALA 38 2HB ALA 38 10.653 8.231 -0.761 241 HB3 ALA 38 3HB ALA 38 10.304 7.513 0.811 242 H ARG 39 H ARG 39 11.739 10.948 1.646 243 HA ARG 39 HA ARG 39 12.173 12.543 -0.761 244 HB2 ARG 39 1HB ARG 39 13.419 12.818 1.980 245 HB3 ARG 39 2HB ARG 39 13.564 13.963 0.653 246 HG2 ARG 39 1HG ARG 39 11.909 14.995 1.789 247 HG3 ARG 39 2HG ARG 39 10.906 13.892 0.845 248 HD2 ARG 39 1HD ARG 39 10.196 13.816 3.139 249 HD3 ARG 39 2HD ARG 39 10.979 12.288 2.734 250 HE ARG 39 HE ARG 39 12.765 14.198 3.911 251 HH11 ARG 39 1HH1 ARG 39 10.392 11.738 4.569 252 HH12 ARG 39 2HH1 ARG 39 11.009 11.382 6.149 253 HH21 ARG 39 1HH2 ARG 39 13.586 13.739 5.989 254 HH22 ARG 39 2HH2 ARG 39 12.825 12.521 6.956 255 H ASP 40 H ASP 40 14.192 10.781 1.596 256 HA ASP 40 HA ASP 40 16.228 10.448 -0.490 257 HB2 ASP 40 1HB ASP 40 16.300 10.417 2.505 258 HB3 ASP 40 2HB ASP 40 17.556 9.578 1.599 259 H ALA 41 H ALA 41 13.803 8.891 -0.507 260 HA ALA 41 HA ALA 41 14.166 6.320 0.582 261 HB1 ALA 41 1HB ALA 41 11.983 6.907 -0.081 262 HB2 ALA 41 2HB ALA 41 12.507 7.331 -1.711 263 HB3 ALA 41 3HB ALA 41 12.494 5.643 -1.201 264 H GLY 42 H GLY 42 15.609 7.877 -2.114 265 HA2 GLY 42 1HA GLY 42 17.685 6.687 -2.853 266 HA3 GLY 42 2HA GLY 42 16.654 5.279 -3.060 267 H GLU 43 H GLU 43 18.124 6.014 -5.173 268 HA GLU 43 HA GLU 43 16.449 7.673 -6.902 269 HB2 GLU 43 1HB GLU 43 19.058 7.780 -6.697 270 HB3 GLU 43 2HB GLU 43 19.013 6.400 -7.785 271 HG2 GLU 43 1HG GLU 43 17.925 7.664 -9.477 272 HG3 GLU 43 2HG GLU 43 17.655 9.014 -8.376 273 H GLY 44 H GLY 44 15.029 5.525 -6.374 274 HA2 GLY 44 1HA GLY 44 15.284 3.889 -8.818 275 HA3 GLY 44 2HA GLY 44 14.933 3.145 -7.265 276 H LEU 45 H LEU 45 12.987 2.289 -8.103 277 HA LEU 45 HA LEU 45 10.856 4.297 -8.435 278 HB2 LEU 45 1HB LEU 45 9.758 2.919 -9.992 279 HB3 LEU 45 2HB LEU 45 11.451 2.952 -10.480 280 HG LEU 45 HG LEU 45 11.498 0.713 -9.036 281 HD11 LEU 45 1HD1 LEU 45 8.725 0.649 -10.193 282 HD12 LEU 45 2HD1 LEU 45 9.047 1.027 -8.501 283 HD13 LEU 45 3HD1 LEU 45 9.508 -0.544 -9.156 284 HD21 LEU 45 1HD2 LEU 45 12.260 0.391 -11.142 285 HD22 LEU 45 2HD2 LEU 45 10.942 1.303 -11.879 286 HD23 LEU 45 3HD2 LEU 45 10.677 -0.359 -11.349 287 H LEU 46 H LEU 46 8.996 4.041 -7.281 288 HA LEU 46 HA LEU 46 9.100 2.187 -5.061 289 HB2 LEU 46 1HB LEU 46 8.403 4.353 -4.478 290 HB3 LEU 46 2HB LEU 46 7.274 4.441 -5.827 291 HG LEU 46 HG LEU 46 6.108 2.460 -4.520 292 HD11 LEU 46 1HD1 LEU 46 6.824 3.903 -2.086 293 HD12 LEU 46 2HD1 LEU 46 8.153 2.973 -2.778 294 HD13 LEU 46 3HD1 LEU 46 6.636 2.173 -2.368 295 HD21 LEU 46 1HD2 LEU 46 5.150 4.585 -3.073 296 HD22 LEU 46 2HD2 LEU 46 4.627 4.124 -4.693 297 HD23 LEU 46 3HD2 LEU 46 5.863 5.366 -4.485 298 H THR 47 H THR 47 7.805 0.448 -4.731 299 HA THR 47 HA THR 47 5.810 -0.174 -6.807 300 HB THR 47 HB THR 47 6.419 -2.581 -6.555 301 HG1 THR 47 1HG THR 47 8.709 -2.763 -5.673 302 HG21 THR 47 1HG2 THR 47 7.476 -0.773 -8.216 303 HG22 THR 47 2HG2 THR 47 7.967 -2.467 -8.222 304 HG23 THR 47 3HG2 THR 47 8.946 -1.267 -7.379 305 H VAL 48 H VAL 48 3.915 -1.094 -6.131 306 HA VAL 48 HA VAL 48 3.634 -1.648 -3.253 307 HB VAL 48 HB VAL 48 1.637 -0.144 -4.951 308 HG11 VAL 48 1HG1 VAL 48 1.409 -0.389 -1.997 309 HG12 VAL 48 2HG1 VAL 48 0.149 -0.204 -3.219 310 HG13 VAL 48 3HG1 VAL 48 0.933 -1.767 -2.988 311 HG21 VAL 48 1HG2 VAL 48 2.425 1.336 -2.688 312 HG22 VAL 48 2HG2 VAL 48 3.903 0.744 -3.447 313 HG23 VAL 48 3HG2 VAL 48 2.749 1.694 -4.384 314 H GLN 49 H GLN 49 2.575 -3.478 -2.760 315 HA GLN 49 HA GLN 49 0.964 -4.781 -4.840 316 HB2 GLN 49 1HB GLN 49 3.184 -5.816 -4.878 317 HB3 GLN 49 2HB GLN 49 3.072 -6.141 -3.153 318 HG2 GLN 49 1HG GLN 49 1.578 -7.852 -3.428 319 HG3 GLN 49 2HG GLN 49 0.960 -7.213 -4.950 320 HE21 GLN 49 1HE2 GLN 49 1.267 -9.617 -5.364 321 HE22 GLN 49 2HE2 GLN 49 2.780 -10.084 -6.056 322 H ILE 50 H ILE 50 -0.923 -5.561 -4.130 323 HA ILE 50 HA ILE 50 -1.304 -5.803 -1.216 324 HB ILE 50 HB ILE 50 -3.423 -4.987 -3.205 325 HG12 ILE 50 1HG1 ILE 50 -1.929 -3.252 -1.227 326 HG13 ILE 50 2HG1 ILE 50 -1.627 -3.279 -2.961 327 HG21 ILE 50 1HG2 ILE 50 -4.873 -5.310 -1.558 328 HG22 ILE 50 2HG2 ILE 50 -3.570 -5.961 -0.564 329 HG23 ILE 50 3HG2 ILE 50 -3.952 -4.241 -0.501 330 HD11 ILE 50 1HD1 ILE 50 -4.400 -2.844 -2.550 331 HD12 ILE 50 2HD1 ILE 50 -3.496 -1.730 -1.523 332 HD13 ILE 50 3HD1 ILE 50 -3.201 -1.764 -3.261 333 H LEU 51 H LEU 51 -2.240 -7.625 -0.459 334 HA LEU 51 HA LEU 51 -3.173 -9.589 -2.449 335 HB2 LEU 51 1HB LEU 51 -1.722 -10.067 0.149 336 HB3 LEU 51 2HB LEU 51 -2.402 -11.335 -0.869 337 HG LEU 51 HG LEU 51 -0.028 -9.575 -1.402 338 HD11 LEU 51 1HD1 LEU 51 0.841 -11.944 -2.007 339 HD12 LEU 51 2HD1 LEU 51 -0.541 -12.498 -1.063 340 HD13 LEU 51 3HD1 LEU 51 0.687 -11.479 -0.313 341 HD21 LEU 51 1HD2 LEU 51 -1.698 -11.125 -3.360 342 HD22 LEU 51 2HD2 LEU 51 0.002 -10.760 -3.655 343 HD23 LEU 51 3HD2 LEU 51 -1.160 -9.448 -3.457 344 H ASP 52 H ASP 52 -5.279 -9.936 -2.310 345 HA ASP 52 HA ASP 52 -7.029 -8.983 -0.439 346 HB2 ASP 52 1HB ASP 52 -8.360 -11.208 -1.162 347 HB3 ASP 52 2HB ASP 52 -8.204 -9.799 -2.208 348 HA PRO 53 HA PRO 53 -6.794 -11.360 3.238 349 HB2 PRO 53 1HB PRO 53 -9.401 -11.745 3.889 350 HB3 PRO 53 2HB PRO 53 -8.599 -10.176 4.023 351 HG2 PRO 53 1HG PRO 53 -10.386 -11.210 1.856 352 HG3 PRO 53 2HG PRO 53 -10.365 -9.610 2.619 353 HD2 PRO 53 1HD PRO 53 -9.238 -10.087 0.204 354 HD3 PRO 53 2HD PRO 53 -8.592 -8.884 1.339 355 H GLU 54 H GLU 54 -7.606 -12.756 0.417 356 HA GLU 54 HA GLU 54 -8.311 -15.351 1.605 357 HB2 GLU 54 1HB GLU 54 -8.582 -14.293 -1.208 358 HB3 GLU 54 2HB GLU 54 -8.834 -15.982 -0.790 359 HG2 GLU 54 1HG GLU 54 -10.621 -15.303 0.763 360 HG3 GLU 54 2HG GLU 54 -10.396 -13.631 0.252 361 H GLY 55 H GLY 55 -5.954 -13.697 -0.402 362 HA2 GLY 55 1HA GLY 55 -3.634 -14.524 -0.098 363 HA3 GLY 55 2HA GLY 55 -4.289 -16.139 -0.322 364 H LYS 56 H LYS 56 -5.205 -13.295 -2.181 365 HA LYS 56 HA LYS 56 -3.826 -14.439 -4.518 366 HB2 LYS 56 1HB LYS 56 -6.513 -13.077 -4.659 367 HB3 LYS 56 2HB LYS 56 -5.697 -13.987 -5.923 368 HG2 LYS 56 1HG LYS 56 -6.601 -15.242 -3.348 369 HG3 LYS 56 2HG LYS 56 -7.629 -15.136 -4.779 370 HD2 LYS 56 1HD LYS 56 -6.108 -16.463 -6.057 371 HD3 LYS 56 2HD LYS 56 -4.891 -16.397 -4.780 372 HE2 LYS 56 1HE LYS 56 -6.345 -17.682 -3.309 373 HE3 LYS 56 2HE LYS 56 -7.598 -17.709 -4.548 374 HZ1 LYS 56 1HZ LYS 56 -6.157 -19.751 -4.361 375 HZ2 LYS 56 2HZ LYS 56 -4.897 -18.828 -5.008 376 HZ3 LYS 56 3HZ LYS 56 -6.303 -19.089 -5.911 377 HA PRO 57 HA PRO 57 -2.130 -10.444 -5.190 378 HB2 PRO 57 1HB PRO 57 -1.887 -10.439 -7.893 379 HB3 PRO 57 2HB PRO 57 -0.847 -11.402 -6.837 380 HG2 PRO 57 1HG PRO 57 -3.255 -12.245 -8.404 381 HG3 PRO 57 2HG PRO 57 -1.704 -13.080 -8.201 382 HD2 PRO 57 1HD PRO 57 -3.919 -13.761 -6.801 383 HD3 PRO 57 2HD PRO 57 -2.282 -13.916 -6.132 384 H LYS 58 H LYS 58 -2.923 -8.434 -5.316 385 HA LYS 58 HA LYS 58 -5.490 -8.046 -6.703 386 HB2 LYS 58 1HB LYS 58 -4.243 -6.538 -4.401 387 HB3 LYS 58 2HB LYS 58 -5.721 -6.041 -5.213 388 HG2 LYS 58 1HG LYS 58 -5.374 -8.706 -3.862 389 HG3 LYS 58 2HG LYS 58 -6.058 -7.282 -3.076 390 HD2 LYS 58 1HD LYS 58 -7.141 -8.499 -5.614 391 HD3 LYS 58 2HD LYS 58 -7.756 -8.863 -4.000 392 HE2 LYS 58 1HE LYS 58 -7.936 -6.242 -3.842 393 HE3 LYS 58 2HE LYS 58 -7.966 -6.357 -5.601 394 HZ1 LYS 58 1HZ LYS 58 -9.723 -8.274 -4.588 395 HZ2 LYS 58 2HZ LYS 58 -10.097 -6.886 -5.480 396 HZ3 LYS 58 3HZ LYS 58 -10.057 -6.819 -3.790 397 H LYS 59 H LYS 59 -5.708 -5.485 -7.147 398 HA LYS 59 HA LYS 59 -3.299 -4.697 -8.651 399 HB2 LYS 59 1HB LYS 59 -6.146 -4.862 -9.489 400 HB3 LYS 59 2HB LYS 59 -5.216 -3.494 -10.087 401 HG2 LYS 59 1HG LYS 59 -3.505 -5.164 -10.890 402 HG3 LYS 59 2HG LYS 59 -4.688 -6.420 -10.519 403 HD2 LYS 59 1HD LYS 59 -4.996 -5.962 -12.800 404 HD3 LYS 59 2HD LYS 59 -6.301 -5.092 -11.989 405 HE2 LYS 59 1HE LYS 59 -5.464 -3.555 -13.536 406 HE3 LYS 59 2HE LYS 59 -4.718 -3.080 -12.011 407 HZ1 LYS 59 1HZ LYS 59 -3.153 -4.993 -13.456 408 HZ2 LYS 59 2HZ LYS 59 -2.699 -3.499 -12.808 409 HZ3 LYS 59 3HZ LYS 59 -3.406 -3.574 -14.342 410 H ALA 60 H ALA 60 -2.509 -2.752 -8.178 411 HA ALA 60 HA ALA 60 -4.285 -0.787 -6.890 412 HB1 ALA 60 1HB ALA 60 -2.516 -2.043 -5.422 413 HB2 ALA 60 2HB ALA 60 -1.399 -0.890 -6.153 414 HB3 ALA 60 3HB ALA 60 -2.781 -0.311 -5.223 415 H ASN 61 H ASN 61 -3.385 1.464 -6.995 416 HA ASN 61 HA ASN 61 -2.003 1.879 -9.565 417 HB2 ASN 61 1HB ASN 61 -4.015 3.726 -8.264 418 HB3 ASN 61 2HB ASN 61 -3.280 3.922 -9.852 419 HD21 ASN 61 1HD2 ASN 61 -5.356 1.810 -7.943 420 HD22 ASN 61 2HD2 ASN 61 -6.277 1.212 -9.277 421 H ILE 62 H ILE 62 -0.434 3.477 -9.696 422 HA ILE 62 HA ILE 62 0.368 4.720 -7.149 423 HB ILE 62 HB ILE 62 2.253 3.580 -9.216 424 HG12 ILE 62 1HG1 ILE 62 2.082 2.580 -6.407 425 HG13 ILE 62 2HG1 ILE 62 0.858 2.052 -7.557 426 HG21 ILE 62 1HG2 ILE 62 2.886 4.705 -6.494 427 HG22 ILE 62 2HG2 ILE 62 4.026 4.189 -7.737 428 HG23 ILE 62 3HG2 ILE 62 3.028 5.619 -7.996 429 HD11 ILE 62 1HD1 ILE 62 2.898 1.458 -9.047 430 HD12 ILE 62 2HD1 ILE 62 3.785 1.503 -7.523 431 HD13 ILE 62 3HD1 ILE 62 2.432 0.390 -7.723 432 H ARG 63 H ARG 63 1.172 6.792 -7.250 433 HA ARG 63 HA ARG 63 1.206 8.067 -9.904 434 HB2 ARG 63 1HB ARG 63 -0.854 8.724 -8.844 435 HB3 ARG 63 2HB ARG 63 -0.014 9.125 -7.352 436 HG2 ARG 63 1HG ARG 63 1.050 11.004 -8.375 437 HG3 ARG 63 2HG ARG 63 0.444 10.542 -9.966 438 HD2 ARG 63 1HD ARG 63 -1.886 10.710 -8.715 439 HD3 ARG 63 2HD ARG 63 -0.972 11.805 -7.679 440 HE ARG 63 HE ARG 63 -0.431 12.624 -10.238 441 HH11 ARG 63 1HH1 ARG 63 -3.298 12.188 -8.312 442 HH12 ARG 63 2HH1 ARG 63 -4.184 13.444 -9.112 443 HH21 ARG 63 1HH2 ARG 63 -1.587 14.279 -11.299 444 HH22 ARG 63 2HH2 ARG 63 -3.211 14.631 -10.812 445 H ASP 64 H ASP 64 2.564 9.932 -10.095 446 HA ASP 64 HA ASP 64 4.763 9.934 -8.135 447 HB2 ASP 64 1HB ASP 64 6.143 10.850 -10.028 448 HB3 ASP 64 2HB ASP 64 5.565 9.205 -10.272 449 H ASN 65 H ASN 65 4.813 11.650 -6.858 450 HA ASN 65 HA ASN 65 3.402 14.075 -7.595 451 HB2 ASN 65 1HB ASN 65 4.574 12.961 -5.093 452 HB3 ASN 65 2HB ASN 65 4.427 14.712 -5.214 453 HD21 ASN 65 1HD2 ASN 65 2.733 11.698 -5.013 454 HD22 ASN 65 2HD2 ASN 65 1.168 12.362 -4.706 455 H GLY 66 H GLY 66 6.720 13.076 -6.832 456 HA2 GLY 66 1HA GLY 66 8.654 13.949 -7.845 457 HA3 GLY 66 2HA GLY 66 7.710 15.314 -8.422 458 H ASP 67 H ASP 67 6.606 15.524 -5.574 459 HA ASP 67 HA ASP 67 8.652 17.355 -4.651 460 HB2 ASP 67 1HB ASP 67 6.361 18.117 -4.557 461 HB3 ASP 67 2HB ASP 67 5.890 16.712 -3.604 462 H GLY 68 H GLY 68 9.061 14.401 -4.565 463 HA2 GLY 68 1HA GLY 68 10.358 13.101 -3.141 464 HA3 GLY 68 2HA GLY 68 10.139 14.309 -1.884 465 H THR 69 H THR 69 7.335 13.111 -3.495 466 HA THR 69 HA THR 69 6.822 11.122 -1.421 467 HB THR 69 HB THR 69 4.652 12.033 -0.832 468 HG1 THR 69 1HG THR 69 4.824 13.332 -3.068 469 HG21 THR 69 1HG2 THR 69 5.420 13.571 0.667 470 HG22 THR 69 2HG2 THR 69 6.347 14.453 -0.547 471 HG23 THR 69 3HG2 THR 69 6.973 12.943 0.116 472 H TYR 70 H TYR 70 4.572 10.094 -1.853 473 HA TYR 70 HA TYR 70 3.877 10.047 -4.683 474 HB2 TYR 70 1HB TYR 70 4.606 7.505 -3.218 475 HB3 TYR 70 2HB TYR 70 4.139 7.658 -4.908 476 HD1 TYR 70 1HD TYR 70 6.819 8.291 -2.464 477 HD2 TYR 70 2HD TYR 70 5.719 8.353 -6.574 478 HE1 TYR 70 1HE TYR 70 9.184 8.553 -3.087 479 HE2 TYR 70 2HE TYR 70 8.081 8.614 -7.208 480 HH TYR 70 HH TYR 70 10.161 8.905 -6.482 481 H THR 71 H THR 71 1.908 8.758 -5.094 482 HA THR 71 HA THR 71 0.203 8.506 -2.707 483 HB THR 71 HB THR 71 -0.726 9.634 -5.354 484 HG1 THR 71 1HG THR 71 -0.963 11.502 -3.631 485 HG21 THR 71 1HG2 THR 71 -2.822 9.743 -4.486 486 HG22 THR 71 2HG2 THR 71 -2.244 10.012 -2.842 487 HG23 THR 71 3HG2 THR 71 -2.242 8.386 -3.522 488 H VAL 72 H VAL 72 -0.962 6.680 -2.587 489 HA VAL 72 HA VAL 72 -1.214 5.027 -5.012 490 HB VAL 72 HB VAL 72 -0.553 4.040 -2.234 491 HG11 VAL 72 1HG1 VAL 72 -0.454 1.813 -3.274 492 HG12 VAL 72 2HG1 VAL 72 -2.073 2.512 -3.348 493 HG13 VAL 72 3HG1 VAL 72 -1.047 2.505 -4.783 494 HG21 VAL 72 1HG2 VAL 72 1.041 4.160 -4.786 495 HG22 VAL 72 2HG2 VAL 72 1.408 4.937 -3.246 496 HG23 VAL 72 3HG2 VAL 72 1.504 3.182 -3.393 497 H SER 73 H SER 73 -3.187 4.207 -5.396 498 HA SER 73 HA SER 73 -5.198 4.385 -3.251 499 HB2 SER 73 1HB SER 73 -6.860 5.099 -4.852 500 HB3 SER 73 2HB SER 73 -5.468 6.174 -4.984 501 HG SER 73 HG SER 73 -4.787 4.811 -6.768 502 H TYR 74 H TYR 74 -6.739 2.761 -3.156 503 HA TYR 74 HA TYR 74 -6.835 0.677 -5.140 504 HB2 TYR 74 1HB TYR 74 -6.099 -1.138 -3.719 505 HB3 TYR 74 2HB TYR 74 -4.820 0.066 -3.819 506 HD1 TYR 74 1HD TYR 74 -4.546 1.690 -1.885 507 HD2 TYR 74 2HD TYR 74 -6.973 -1.796 -1.639 508 HE1 TYR 74 1HE TYR 74 -4.465 1.814 0.570 509 HE2 TYR 74 2HE TYR 74 -6.900 -1.681 0.816 510 HH TYR 74 HH TYR 74 -5.173 0.938 2.483 511 H LEU 75 H LEU 75 -8.502 -0.907 -4.697 512 HA LEU 75 HA LEU 75 -10.459 0.013 -2.696 513 HB2 LEU 75 1HB LEU 75 -11.241 0.623 -4.886 514 HB3 LEU 75 2HB LEU 75 -10.947 -1.007 -5.488 515 HG LEU 75 HG LEU 75 -12.707 -1.645 -3.629 516 HD11 LEU 75 1HD1 LEU 75 -12.867 1.264 -3.793 517 HD12 LEU 75 2HD1 LEU 75 -13.489 0.158 -2.568 518 HD13 LEU 75 3HD1 LEU 75 -14.414 0.453 -4.041 519 HD21 LEU 75 1HD2 LEU 75 -14.204 -1.944 -5.324 520 HD22 LEU 75 2HD2 LEU 75 -12.743 -1.659 -6.271 521 HD23 LEU 75 3HD2 LEU 75 -13.902 -0.353 -6.024 522 HA PRO 76 HA PRO 76 -9.580 -4.280 -1.505 523 HB2 PRO 76 1HB PRO 76 -10.424 -3.957 1.055 524 HB3 PRO 76 2HB PRO 76 -8.811 -3.484 0.509 525 HG2 PRO 76 1HG PRO 76 -11.245 -1.790 0.917 526 HG3 PRO 76 2HG PRO 76 -9.561 -1.455 1.362 527 HD2 PRO 76 1HD PRO 76 -10.723 -0.400 -0.845 528 HD3 PRO 76 2HD PRO 76 -8.995 -0.802 -0.775 529 H ASP 77 H ASP 77 -11.374 -4.828 -2.976 530 HA ASP 77 HA ASP 77 -14.069 -4.612 -2.427 531 HB2 ASP 77 1HB ASP 77 -13.264 -5.451 -4.558 532 HB3 ASP 77 2HB ASP 77 -12.600 -6.884 -3.778 533 H MET 78 H MET 78 -11.908 -7.301 -1.532 534 HA MET 78 HA MET 78 -13.945 -8.544 0.081 535 HB2 MET 78 1HB MET 78 -11.070 -9.146 -0.531 536 HB3 MET 78 2HB MET 78 -11.892 -9.988 0.776 537 HG2 MET 78 1HG MET 78 -12.787 -9.936 -2.097 538 HG3 MET 78 2HG MET 78 -11.914 -11.254 -1.317 539 HE1 MET 78 1HE MET 78 -12.578 -12.726 0.182 540 HE2 MET 78 2HE MET 78 -14.163 -12.990 0.910 541 HE3 MET 78 3HE MET 78 -13.856 -13.509 -0.748 542 H SER 79 H SER 79 -13.583 -9.064 2.378 543 HA SER 79 HA SER 79 -12.327 -6.792 3.769 544 HB2 SER 79 1HB SER 79 -13.927 -7.258 5.610 545 HB3 SER 79 2HB SER 79 -14.740 -6.860 4.097 546 HG SER 79 HG SER 79 -15.578 -8.731 5.266 547 H GLY 80 H GLY 80 -11.084 -7.162 5.614 548 HA2 GLY 80 1HA GLY 80 -10.559 -9.080 7.266 549 HA3 GLY 80 2HA GLY 80 -10.038 -9.905 5.805 550 H ARG 81 H ARG 81 -7.919 -10.095 6.608 551 HA ARG 81 HA ARG 81 -6.434 -7.632 7.100 552 HB2 ARG 81 1HB ARG 81 -6.274 -9.869 8.455 553 HB3 ARG 81 2HB ARG 81 -5.203 -10.362 7.150 554 HG2 ARG 81 1HG ARG 81 -3.625 -8.718 7.665 555 HG3 ARG 81 2HG ARG 81 -4.772 -7.802 8.646 556 HD2 ARG 81 1HD ARG 81 -3.894 -10.584 9.369 557 HD3 ARG 81 2HD ARG 81 -3.004 -9.153 9.885 558 HE ARG 81 HE ARG 81 -5.780 -8.992 10.533 559 HH11 ARG 81 1HH1 ARG 81 -2.731 -10.338 11.539 560 HH12 ARG 81 2HH1 ARG 81 -3.181 -10.445 13.209 561 HH21 ARG 81 1HH2 ARG 81 -6.384 -9.127 12.728 562 HH22 ARG 81 2HH2 ARG 81 -5.259 -9.757 13.884 563 H TYR 82 H TYR 82 -5.679 -6.609 5.368 564 HA TYR 82 HA TYR 82 -4.985 -8.100 2.965 565 HB2 TYR 82 1HB TYR 82 -5.466 -5.222 3.609 566 HB3 TYR 82 2HB TYR 82 -4.497 -5.620 2.195 567 HD1 TYR 82 2HD TYR 82 -7.835 -5.877 3.720 568 HD2 TYR 82 1HD TYR 82 -5.499 -6.579 0.233 569 HE1 TYR 82 2HE TYR 82 -9.893 -6.240 2.421 570 HE2 TYR 82 1HE TYR 82 -7.550 -6.942 -1.075 571 HH TYR 82 HH TYR 82 -9.816 -7.430 -0.850 572 H THR 83 H THR 83 -2.960 -8.309 2.140 573 HA THR 83 HA THR 83 -0.754 -7.507 3.902 574 HB THR 83 HB THR 83 -0.505 -9.428 1.599 575 HG1 THR 83 1HG THR 83 -1.654 -9.826 4.133 576 HG21 THR 83 1HG2 THR 83 1.385 -10.262 2.810 577 HG22 THR 83 2HG2 THR 83 0.975 -9.292 4.225 578 HG23 THR 83 3HG2 THR 83 1.526 -8.506 2.745 579 H ILE 84 H ILE 84 -0.127 -5.498 3.316 580 HA ILE 84 HA ILE 84 0.234 -4.893 0.473 581 HB ILE 84 HB ILE 84 0.481 -3.010 2.819 582 HG12 ILE 84 1HG1 ILE 84 -1.868 -3.293 0.941 583 HG13 ILE 84 2HG1 ILE 84 -1.802 -4.068 2.520 584 HG21 ILE 84 1HG2 ILE 84 1.085 -1.450 1.355 585 HG22 ILE 84 2HG2 ILE 84 1.263 -2.735 0.161 586 HG23 ILE 84 3HG2 ILE 84 -0.257 -1.850 0.283 587 HD11 ILE 84 1HD1 ILE 84 -2.628 -2.227 3.412 588 HD12 ILE 84 2HD1 ILE 84 -1.175 -1.356 2.921 589 HD13 ILE 84 3HD1 ILE 84 -2.575 -1.412 1.850 590 H THR 85 H THR 85 2.161 -5.333 -0.355 591 HA THR 85 HA THR 85 4.536 -5.122 1.367 592 HB THR 85 HB THR 85 4.256 -6.559 -1.280 593 HG1 THR 85 1HG THR 85 4.621 -7.824 1.216 594 HG21 THR 85 1HG2 THR 85 6.453 -7.101 0.648 595 HG22 THR 85 2HG2 THR 85 6.551 -5.627 -0.316 596 HG23 THR 85 3HG2 THR 85 6.444 -7.197 -1.112 597 H ILE 86 H ILE 86 5.512 -3.213 1.185 598 HA ILE 86 HA ILE 86 5.589 -1.901 -1.445 599 HB ILE 86 HB ILE 86 6.135 -0.709 1.276 600 HG12 ILE 86 1HG1 ILE 86 3.758 -0.252 -0.532 601 HG13 ILE 86 2HG1 ILE 86 3.749 -1.391 0.810 602 HG21 ILE 86 1HG2 ILE 86 6.897 0.174 -1.269 603 HG22 ILE 86 2HG2 ILE 86 5.521 1.173 -0.805 604 HG23 ILE 86 3HG2 ILE 86 6.938 1.084 0.241 605 HD11 ILE 86 1HD1 ILE 86 3.042 0.286 2.071 606 HD12 ILE 86 2HD1 ILE 86 4.661 0.972 1.927 607 HD13 ILE 86 3HD1 ILE 86 3.389 1.471 0.811 608 H LYS 87 H LYS 87 7.408 -2.057 -2.557 609 HA LYS 87 HA LYS 87 9.948 -2.312 -1.082 610 HB2 LYS 87 1HB LYS 87 9.008 -3.697 -3.582 611 HB3 LYS 87 2HB LYS 87 10.721 -3.535 -3.218 612 HG2 LYS 87 1HG LYS 87 10.312 -4.684 -1.055 613 HG3 LYS 87 2HG LYS 87 8.644 -4.954 -1.566 614 HD2 LYS 87 1HD LYS 87 9.231 -6.513 -3.131 615 HD3 LYS 87 2HD LYS 87 10.818 -5.793 -3.411 616 HE2 LYS 87 1HE LYS 87 10.251 -7.016 -0.756 617 HE3 LYS 87 2HE LYS 87 10.551 -8.082 -2.128 618 HZ1 LYS 87 1HZ LYS 87 12.551 -6.315 -2.363 619 HZ2 LYS 87 2HZ LYS 87 12.682 -7.794 -1.553 620 HZ3 LYS 87 3HZ LYS 87 12.383 -6.376 -0.681 621 H TYR 88 H TYR 88 11.537 -0.921 -1.593 622 HA TYR 88 HA TYR 88 11.022 0.956 -3.800 623 HB2 TYR 88 1HB TYR 88 11.204 1.779 -1.369 624 HB3 TYR 88 2HB TYR 88 12.926 1.448 -1.520 625 HD1 TYR 88 1HD TYR 88 10.145 3.466 -2.900 626 HD2 TYR 88 2HD TYR 88 14.361 2.950 -2.652 627 HE1 TYR 88 1HE TYR 88 10.469 5.670 -3.941 628 HE2 TYR 88 2HE TYR 88 14.697 5.154 -3.691 629 HH TYR 88 HH TYR 88 12.066 6.957 -5.067 630 H GLY 89 H GLY 89 12.316 0.899 -5.513 631 HA2 GLY 89 1HA GLY 89 13.973 0.054 -6.901 632 HA3 GLY 89 2HA GLY 89 14.995 0.862 -5.722 633 H GLY 90 H GLY 90 13.021 -1.922 -4.933 634 HA2 GLY 90 1HA GLY 90 13.649 -4.176 -4.747 635 HA3 GLY 90 2HA GLY 90 15.299 -3.727 -5.155 636 H ASP 91 H ASP 91 13.200 -2.409 -2.623 637 HA ASP 91 HA ASP 91 14.763 -3.735 -0.560 638 HB2 ASP 91 1HB ASP 91 15.792 -1.423 -1.296 639 HB3 ASP 91 2HB ASP 91 14.494 -0.766 -0.303 640 H GLU 92 H GLU 92 13.170 -4.651 0.565 641 HA GLU 92 HA GLU 92 10.547 -3.590 0.763 642 HB2 GLU 92 1HB GLU 92 11.275 -6.031 0.982 643 HB3 GLU 92 2HB GLU 92 11.743 -5.632 2.628 644 HG2 GLU 92 1HG GLU 92 9.515 -5.134 3.242 645 HG3 GLU 92 2HG GLU 92 8.976 -5.161 1.564 646 H ILE 93 H ILE 93 9.940 -1.907 1.935 647 HA ILE 93 HA ILE 93 11.467 -0.513 3.757 648 HB ILE 93 HB ILE 93 9.371 0.509 4.565 649 HG12 ILE 93 1HG1 ILE 93 7.981 -1.454 2.732 650 HG13 ILE 93 2HG1 ILE 93 8.032 -1.610 4.484 651 HG21 ILE 93 1HG2 ILE 93 10.533 0.871 2.209 652 HG22 ILE 93 2HG2 ILE 93 8.970 0.294 1.634 653 HG23 ILE 93 3HG2 ILE 93 9.057 1.722 2.664 654 HD11 ILE 93 1HD1 ILE 93 5.940 -0.655 3.875 655 HD12 ILE 93 2HD1 ILE 93 6.910 0.605 4.639 656 HD13 ILE 93 3HD1 ILE 93 6.728 0.575 2.886 657 HA PRO 94 HA PRO 94 11.489 -2.805 7.506 658 HB2 PRO 94 1HB PRO 94 11.669 -0.784 9.310 659 HB3 PRO 94 2HB PRO 94 13.017 -1.272 8.276 660 HG2 PRO 94 1HG PRO 94 11.101 1.003 7.942 661 HG3 PRO 94 2HG PRO 94 12.857 0.975 7.701 662 HD2 PRO 94 1HD PRO 94 11.102 0.826 5.644 663 HD3 PRO 94 2HD PRO 94 12.682 0.017 5.612 664 H TYR 95 H TYR 95 8.885 -1.041 6.504 665 HA TYR 95 HA TYR 95 7.352 -1.545 8.964 666 HB2 TYR 95 1HB TYR 95 6.538 0.201 6.638 667 HB3 TYR 95 2HB TYR 95 5.781 0.115 8.224 668 HD1 TYR 95 2HD TYR 95 8.066 0.257 10.039 669 HD2 TYR 95 1HD TYR 95 7.342 2.368 6.416 670 HE1 TYR 95 2HE TYR 95 9.502 2.091 10.827 671 HE2 TYR 95 1HE TYR 95 8.777 4.207 7.194 672 HH TYR 95 HH TYR 95 10.168 4.913 8.781 673 H SER 96 H SER 96 7.963 -2.813 5.952 674 HA SER 96 HA SER 96 5.274 -3.943 5.642 675 HB2 SER 96 1HB SER 96 5.823 -3.288 3.521 676 HB3 SER 96 2HB SER 96 7.556 -3.446 3.807 677 HG SER 96 HG SER 96 7.475 -5.525 3.287 678 HA PRO 97 HA PRO 97 4.611 -5.706 4.186 679 HB2 PRO 97 1HB PRO 97 2.905 -7.605 5.111 680 HB3 PRO 97 2HB PRO 97 4.187 -7.951 3.945 681 HG2 PRO 97 1HG PRO 97 4.147 -8.396 6.905 682 HG3 PRO 97 2HG PRO 97 4.744 -9.464 5.621 683 HD2 PRO 97 1HD PRO 97 6.394 -7.934 7.128 684 HD3 PRO 97 2HD PRO 97 6.741 -8.329 5.432 685 H PHE 98 H PHE 98 2.851 -4.423 4.487 686 HA PHE 98 HA PHE 98 2.370 -3.445 7.170 687 HB2 PHE 98 1HB PHE 98 1.737 -2.539 4.415 688 HB3 PHE 98 2HB PHE 98 0.619 -2.046 5.684 689 HD1 PHE 98 2HD PHE 98 2.100 -1.359 7.940 690 HD2 PHE 98 1HD PHE 98 3.222 -0.896 3.860 691 HE1 PHE 98 2HE PHE 98 3.620 0.470 8.569 692 HE2 PHE 98 1HE PHE 98 4.745 0.933 4.483 693 HZ PHE 98 HZ PHE 98 4.945 1.619 6.840 694 H ARG 99 H ARG 99 0.986 -4.467 8.448 695 HA ARG 99 HA ARG 99 -1.130 -6.109 7.352 696 HB2 ARG 99 1HB ARG 99 -0.320 -5.519 10.204 697 HB3 ARG 99 2HB ARG 99 -1.590 -6.645 9.742 698 HG2 ARG 99 1HG ARG 99 0.325 -7.721 8.307 699 HG3 ARG 99 2HG ARG 99 1.360 -6.895 9.474 700 HD2 ARG 99 1HD ARG 99 -0.888 -8.767 10.203 701 HD3 ARG 99 2HD ARG 99 0.808 -9.238 10.098 702 HE ARG 99 HE ARG 99 0.259 -7.018 11.867 703 HH11 ARG 99 1HH1 ARG 99 0.610 -10.467 11.550 704 HH12 ARG 99 2HH1 ARG 99 0.959 -10.717 13.229 705 HH21 ARG 99 1HH2 ARG 99 0.717 -7.334 14.079 706 HH22 ARG 99 2HH2 ARG 99 1.019 -8.934 14.666 707 H ILE 100 H ILE 100 -2.754 -4.906 6.516 708 HA ILE 100 HA ILE 100 -3.989 -2.894 8.282 709 HB ILE 100 HB ILE 100 -4.315 -2.994 5.290 710 HG12 ILE 100 1HG1 ILE 100 -1.931 -2.681 5.828 711 HG13 ILE 100 2HG1 ILE 100 -2.634 -1.222 5.139 712 HG21 ILE 100 1HG2 ILE 100 -6.045 -1.745 6.282 713 HG22 ILE 100 2HG2 ILE 100 -4.943 -0.976 7.424 714 HG23 ILE 100 3HG2 ILE 100 -4.876 -0.554 5.713 715 HD11 ILE 100 1HD1 ILE 100 -1.069 -1.164 7.263 716 HD12 ILE 100 2HD1 ILE 100 -2.419 -0.045 7.067 717 HD13 ILE 100 3HD1 ILE 100 -2.596 -1.470 8.090 718 H HIS 101 H HIS 101 -5.852 -3.514 9.133 719 HA HIS 101 HA HIS 101 -7.333 -5.725 7.973 720 HB2 HIS 101 1HB HIS 101 -6.840 -5.197 10.521 721 HB3 HIS 101 2HB HIS 101 -8.306 -4.233 10.370 722 HD1 HIS 101 1HD HIS 101 -7.306 -7.455 11.376 723 HD2 HIS 101 2HD HIS 101 -10.452 -6.007 9.080 724 HE1 HIS 101 1HE HIS 101 -9.049 -9.267 11.403 725 HE2 HIS 101 2HE HIS 101 -10.907 -8.404 9.938 726 H ALA 102 H ALA 102 -9.375 -5.621 7.122 727 HA ALA 102 HA ALA 102 -10.437 -2.912 6.645 728 HB1 ALA 102 1HB ALA 102 -11.503 -3.981 4.599 729 HB2 ALA 102 2HB ALA 102 -9.755 -3.748 4.557 730 HB3 ALA 102 3HB ALA 102 -10.424 -5.347 4.885 731 H LEU 103 H LEU 103 -12.286 -2.492 7.641 732 HA LEU 103 HA LEU 103 -13.955 -4.720 8.554 733 HB2 LEU 103 1HB LEU 103 -14.302 -1.830 9.289 734 HB3 LEU 103 2HB LEU 103 -14.880 -3.256 10.148 735 HG LEU 103 HG LEU 103 -11.951 -2.630 9.882 736 HD11 LEU 103 1HD1 LEU 103 -12.010 -1.094 11.495 737 HD12 LEU 103 2HD1 LEU 103 -13.169 -2.016 12.452 738 HD13 LEU 103 3HD1 LEU 103 -13.735 -0.968 11.152 739 HD21 LEU 103 1HD2 LEU 103 -11.694 -4.130 11.704 740 HD22 LEU 103 2HD2 LEU 103 -12.743 -4.927 10.531 741 HD23 LEU 103 3HD2 LEU 103 -13.434 -4.198 11.981 742 HA PRO 104 HA PRO 104 -16.990 -3.939 5.455 743 HB2 PRO 104 1HB PRO 104 -19.108 -5.142 6.655 744 HB3 PRO 104 2HB PRO 104 -17.779 -6.046 5.919 745 HG2 PRO 104 1HG PRO 104 -18.250 -5.379 8.799 746 HG3 PRO 104 2HG PRO 104 -17.707 -6.905 8.078 747 HD2 PRO 104 1HD PRO 104 -15.999 -5.155 9.241 748 HD3 PRO 104 2HD PRO 104 -15.530 -6.178 7.868 749 H THR 105 H THR 105 -17.417 -1.773 5.371 750 HA THR 105 HA THR 105 -18.857 -0.448 7.503 751 HB THR 105 HB THR 105 -17.086 0.760 6.307 752 HG1 THR 105 1HG THR 105 -19.678 1.628 6.558 753 HG21 THR 105 1HG2 THR 105 -18.765 1.153 3.902 754 HG22 THR 105 2HG2 THR 105 -17.958 -0.409 4.053 755 HG23 THR 105 3HG2 THR 105 -17.010 1.078 4.060 756 H GLY 106 H GLY 106 -19.594 -2.033 4.540 757 HA2 GLY 106 1HA GLY 106 -22.419 -1.581 4.968 758 HA3 GLY 106 2HA GLY 106 -21.788 -0.856 3.497 759 H ASP 107 H ASP 107 -23.782 -2.877 3.611 760 HA ASP 107 HA ASP 107 -22.368 -5.024 2.180 761 HB2 ASP 107 1HB ASP 107 -23.128 -5.727 4.484 762 HB3 ASP 107 2HB ASP 107 -24.784 -5.478 3.937 763 H ALA 108 H ALA 108 -25.471 -3.395 2.722 764 HA ALA 108 HA ALA 108 -26.630 -4.439 0.306 765 HB1 ALA 108 1HB ALA 108 -27.834 -3.722 2.474 766 HB2 ALA 108 2HB ALA 108 -27.724 -2.092 1.809 767 HB3 ALA 108 3HB ALA 108 -28.585 -3.350 0.922 768 H SER 109 H SER 109 -25.890 -1.106 1.357 769 HA SER 109 HA SER 109 -25.129 -0.487 -1.413 770 HB2 SER 109 1HB SER 109 -27.121 0.952 0.317 771 HB3 SER 109 2HB SER 109 -26.220 1.829 -0.920 772 HG SER 109 HG SER 109 -28.371 0.311 -1.229 773 H SER 110 H SER 110 -23.023 -0.065 -1.273 774 HA SER 110 HA SER 110 -22.046 2.202 0.079 775 HB2 SER 110 1HB SER 110 -22.371 0.520 1.996 776 HB3 SER 110 2HB SER 110 -21.006 -0.352 1.297 777 HG SER 110 HG SER 110 -20.120 2.028 1.401 778 H GLY 111 H GLY 111 -20.825 2.807 -1.605 779 HA2 GLY 111 1HA GLY 111 -18.894 2.847 -2.888 780 HA3 GLY 111 2HA GLY 111 -18.455 1.284 -2.217 781 HA PRO 112 HA PRO 112 -19.432 0.443 -6.600 782 HB2 PRO 112 1HB PRO 112 -17.656 -1.599 -6.817 783 HB3 PRO 112 2HB PRO 112 -17.196 0.098 -7.002 784 HG2 PRO 112 1HG PRO 112 -16.910 -1.694 -4.621 785 HG3 PRO 112 2HG PRO 112 -15.752 -0.529 -5.290 786 HD2 PRO 112 1HD PRO 112 -17.290 0.022 -3.131 787 HD3 PRO 112 2HD PRO 112 -16.792 1.269 -4.293 788 H SER 113 H SER 113 -20.073 -1.028 -3.722 789 HA SER 113 HA SER 113 -20.560 -3.638 -3.944 790 HB2 SER 113 1HB SER 113 -21.446 -1.835 -2.213 791 HB3 SER 113 2HB SER 113 -22.939 -2.021 -3.134 792 HG SER 113 HG SER 113 -22.970 -4.183 -2.621 793 H SER 114 H SER 114 -21.298 -4.898 -5.506 794 HA SER 114 HA SER 114 -22.426 -4.236 -7.865 795 HB2 SER 114 1HB SER 114 -23.206 -6.501 -8.080 796 HB3 SER 114 2HB SER 114 -21.712 -6.540 -7.143 797 HG SER 114 HG SER 114 -23.491 -6.299 -5.333 798 H GLY 115 H GLY 115 -24.081 -2.906 -8.230 799 HA2 GLY 115 1HA GLY 115 -26.421 -3.001 -6.469 800 HA3 GLY 115 2HA GLY 115 -26.048 -1.731 -7.625 Start of MODEL 17 1 H1 GLY 1 H GLY 1 17.782 2.476 -16.550 2 HA2 GLY 1 1HA GLY 1 15.959 2.289 -14.611 3 HA3 GLY 1 2HA GLY 1 16.596 0.652 -14.616 4 H SER 2 H SER 2 18.304 0.242 -13.374 5 HA SER 2 HA SER 2 19.486 2.380 -11.856 6 HB2 SER 2 1HB SER 2 19.038 0.266 -10.749 7 HB3 SER 2 2HB SER 2 20.052 -0.594 -11.907 8 HG SER 2 HG SER 2 21.840 0.542 -11.095 9 H SER 3 H SER 3 20.955 3.641 -12.797 10 HA SER 3 HA SER 3 23.185 2.346 -14.210 11 HB2 SER 3 1HB SER 3 21.522 3.446 -15.785 12 HB3 SER 3 2HB SER 3 22.000 4.987 -15.073 13 HG SER 3 HG SER 3 23.966 4.807 -15.954 14 H GLY 4 H GLY 4 25.200 3.396 -14.051 15 HA2 GLY 4 1HA GLY 4 26.800 4.305 -12.624 16 HA3 GLY 4 2HA GLY 4 25.969 5.774 -13.112 17 H SER 5 H SER 5 25.276 3.084 -10.872 18 HA SER 5 HA SER 5 25.474 4.655 -8.540 19 HB2 SER 5 1HB SER 5 23.425 5.700 -9.486 20 HB3 SER 5 2HB SER 5 22.634 4.124 -9.448 21 HG SER 5 HG SER 5 22.272 5.580 -7.595 22 H SER 6 H SER 6 25.965 3.242 -7.010 23 HA SER 6 HA SER 6 25.355 0.436 -7.372 24 HB2 SER 6 1HB SER 6 26.895 1.876 -5.199 25 HB3 SER 6 2HB SER 6 26.757 0.124 -5.345 26 HG SER 6 HG SER 6 28.241 0.163 -6.825 27 H GLY 7 H GLY 7 23.035 0.622 -7.147 28 HA2 GLY 7 1HA GLY 7 21.047 0.811 -5.949 29 HA3 GLY 7 2HA GLY 7 21.898 -0.342 -4.931 30 H ALA 8 H ALA 8 21.857 3.182 -5.491 31 HA ALA 8 HA ALA 8 22.361 3.621 -2.653 32 HB1 ALA 8 1HB ALA 8 23.679 5.110 -3.751 33 HB2 ALA 8 2HB ALA 8 22.567 5.264 -5.111 34 HB3 ALA 8 3HB ALA 8 22.230 6.103 -3.597 35 H HIS 9 H HIS 9 20.236 2.750 -2.052 36 HA HIS 9 HA HIS 9 18.253 4.890 -1.993 37 HB2 HIS 9 1HB HIS 9 16.423 3.278 -2.518 38 HB3 HIS 9 2HB HIS 9 17.509 3.572 -3.874 39 HD1 HIS 9 1HD HIS 9 18.690 1.580 -4.857 40 HD2 HIS 9 2HD HIS 9 16.784 0.706 -1.271 41 HE1 HIS 9 1HE HIS 9 18.824 -0.919 -4.617 42 HE2 HIS 9 2HE HIS 9 17.590 -1.433 -2.482 43 H ASP 10 H ASP 10 17.086 4.975 -0.125 44 HA ASP 10 HA ASP 10 17.617 2.857 1.856 45 HB2 ASP 10 1HB ASP 10 17.578 5.845 2.143 46 HB3 ASP 10 2HB ASP 10 17.219 4.817 3.527 47 H ALA 11 H ALA 11 15.747 1.700 1.599 48 HA ALA 11 HA ALA 11 13.178 2.772 1.251 49 HB1 ALA 11 1HB ALA 11 12.515 0.634 1.159 50 HB2 ALA 11 2HB ALA 11 14.239 0.264 1.215 51 HB3 ALA 11 3HB ALA 11 13.281 0.226 2.695 52 H SER 12 H SER 12 15.076 2.158 4.124 53 HA SER 12 HA SER 12 13.016 2.288 6.034 54 HB2 SER 12 1HB SER 12 15.911 3.115 6.359 55 HB3 SER 12 2HB SER 12 14.789 2.721 7.661 56 HG SER 12 HG SER 12 15.122 0.812 5.669 57 H LYS 13 H LYS 13 14.128 4.642 3.945 58 HA LYS 13 HA LYS 13 13.516 6.869 5.740 59 HB2 LYS 13 1HB LYS 13 14.602 6.839 2.918 60 HB3 LYS 13 2HB LYS 13 14.333 8.289 3.876 61 HG2 LYS 13 1HG LYS 13 16.052 6.153 5.018 62 HG3 LYS 13 2HG LYS 13 16.702 7.154 3.717 63 HD2 LYS 13 1HD LYS 13 16.261 9.162 4.998 64 HD3 LYS 13 2HD LYS 13 15.492 8.212 6.272 65 HE2 LYS 13 1HE LYS 13 17.626 7.061 6.676 66 HE3 LYS 13 2HE LYS 13 18.384 8.046 5.425 67 HZ1 LYS 13 1HZ LYS 13 18.464 8.699 7.967 68 HZ2 LYS 13 2HZ LYS 13 17.000 9.450 7.577 69 HZ3 LYS 13 3HZ LYS 13 18.412 9.869 6.746 70 H VAL 14 H VAL 14 11.659 4.850 4.203 71 HA VAL 14 HA VAL 14 9.966 6.796 2.818 72 HB VAL 14 HB VAL 14 9.696 3.791 2.991 73 HG11 VAL 14 1HG1 VAL 14 7.616 4.142 2.278 74 HG12 VAL 14 2HG1 VAL 14 7.911 5.868 2.059 75 HG13 VAL 14 3HG1 VAL 14 8.317 4.733 0.772 76 HG21 VAL 14 1HG2 VAL 14 11.614 4.168 1.713 77 HG22 VAL 14 2HG2 VAL 14 10.331 4.016 0.513 78 HG23 VAL 14 3HG2 VAL 14 10.939 5.611 0.955 79 H ARG 15 H ARG 15 8.306 7.705 3.819 80 HA ARG 15 HA ARG 15 7.332 6.517 6.316 81 HB2 ARG 15 1HB ARG 15 7.443 9.279 5.216 82 HB3 ARG 15 2HB ARG 15 6.101 8.888 6.283 83 HG2 ARG 15 1HG ARG 15 7.810 9.824 7.624 84 HG3 ARG 15 2HG ARG 15 7.789 8.091 7.957 85 HD2 ARG 15 1HD ARG 15 10.045 8.483 7.718 86 HD3 ARG 15 2HD ARG 15 9.599 7.997 6.083 87 HE ARG 15 HE ARG 15 9.342 10.649 5.934 88 HH11 ARG 15 1HH1 ARG 15 11.880 8.662 7.250 89 HH12 ARG 15 2HH1 ARG 15 13.134 9.808 6.906 90 HH21 ARG 15 1HH2 ARG 15 10.984 12.165 5.476 91 HH22 ARG 15 2HH2 ARG 15 12.623 11.800 5.898 92 H ALA 16 H ALA 16 5.476 5.448 6.332 93 HA ALA 16 HA ALA 16 3.607 5.832 4.096 94 HB1 ALA 16 1HB ALA 16 4.616 3.509 5.407 95 HB2 ALA 16 2HB ALA 16 2.866 3.574 5.619 96 HB3 ALA 16 3HB ALA 16 3.560 3.617 3.998 97 H SER 17 H SER 17 1.870 7.019 4.493 98 HA SER 17 HA SER 17 0.458 6.718 7.025 99 HB2 SER 17 1HB SER 17 1.442 9.383 5.981 100 HB3 SER 17 2HB SER 17 0.263 9.198 7.280 101 HG SER 17 HG SER 17 1.913 9.008 8.550 102 H GLY 18 H GLY 18 -1.688 7.846 6.967 103 HA2 GLY 18 1HA GLY 18 -3.305 8.963 5.433 104 HA3 GLY 18 2HA GLY 18 -2.744 7.838 4.206 105 HA PRO 19 HA PRO 19 -6.544 6.159 6.390 106 HB2 PRO 19 1HB PRO 19 -8.089 5.957 4.167 107 HB3 PRO 19 2HB PRO 19 -8.023 7.417 5.161 108 HG2 PRO 19 1HG PRO 19 -6.610 6.808 2.593 109 HG3 PRO 19 2HG PRO 19 -7.418 8.303 3.098 110 HD2 PRO 19 1HD PRO 19 -4.731 7.993 3.205 111 HD3 PRO 19 2HD PRO 19 -5.623 8.994 4.368 112 H GLY 20 H GLY 20 -5.285 5.352 3.152 113 HA2 GLY 20 1HA GLY 20 -6.117 2.695 3.054 114 HA3 GLY 20 2HA GLY 20 -4.717 3.339 2.209 115 H LEU 21 H LEU 21 -3.477 4.134 4.805 116 HA LEU 21 HA LEU 21 -2.490 1.462 5.534 117 HB2 LEU 21 1HB LEU 21 -1.171 4.146 5.917 118 HB3 LEU 21 2HB LEU 21 -0.461 2.574 6.281 119 HG LEU 21 HG LEU 21 -1.177 3.591 3.532 120 HD11 LEU 21 1HD1 LEU 21 1.607 2.967 4.171 121 HD12 LEU 21 2HD1 LEU 21 0.953 4.341 5.062 122 HD13 LEU 21 3HD1 LEU 21 0.919 4.337 3.298 123 HD21 LEU 21 1HD2 LEU 21 0.090 1.023 4.470 124 HD22 LEU 21 2HD2 LEU 21 0.114 1.583 2.797 125 HD23 LEU 21 3HD2 LEU 21 -1.422 1.215 3.582 126 H ASN 22 H ASN 22 -4.903 2.511 6.650 127 HA ASN 22 HA ASN 22 -4.309 3.504 9.289 128 HB2 ASN 22 1HB ASN 22 -6.388 4.092 7.998 129 HB3 ASN 22 2HB ASN 22 -6.942 2.440 8.253 130 HD21 ASN 22 1HD2 ASN 22 -8.438 2.397 9.754 131 HD22 ASN 22 2HD2 ASN 22 -8.426 3.288 11.235 132 H ALA 23 H ALA 23 -3.770 2.303 10.979 133 HA ALA 23 HA ALA 23 -3.909 -0.580 10.831 134 HB1 ALA 23 1HB ALA 23 -3.089 0.591 13.383 135 HB2 ALA 23 2HB ALA 23 -2.261 -0.573 12.347 136 HB3 ALA 23 3HB ALA 23 -2.152 1.152 11.998 137 H SER 24 H SER 24 -5.832 1.949 12.080 138 HA SER 24 HA SER 24 -7.061 0.460 14.202 139 HB2 SER 24 1HB SER 24 -7.464 3.129 12.940 140 HB3 SER 24 2HB SER 24 -8.824 2.430 13.820 141 HG SER 24 HG SER 24 -7.295 3.769 15.060 142 H GLY 25 H GLY 25 -7.442 0.615 10.811 143 HA2 GLY 25 1HA GLY 25 -8.770 -1.261 9.887 144 HA3 GLY 25 2HA GLY 25 -10.021 -0.812 11.038 145 H ILE 26 H ILE 26 -9.718 -0.910 7.963 146 HA ILE 26 HA ILE 26 -10.818 1.781 7.475 147 HB ILE 26 HB ILE 26 -10.049 1.597 5.154 148 HG12 ILE 26 1HG1 ILE 26 -8.434 -0.815 5.941 149 HG13 ILE 26 2HG1 ILE 26 -10.061 -0.992 5.293 150 HG21 ILE 26 1HG2 ILE 26 -7.758 2.067 5.550 151 HG22 ILE 26 2HG2 ILE 26 -8.641 2.602 6.979 152 HG23 ILE 26 3HG2 ILE 26 -7.741 1.086 7.015 153 HD11 ILE 26 1HD1 ILE 26 -9.293 0.344 3.309 154 HD12 ILE 26 2HD1 ILE 26 -7.654 0.185 3.941 155 HD13 ILE 26 3HD1 ILE 26 -8.568 -1.253 3.488 156 HA PRO 27 HA PRO 27 -14.574 -0.151 6.242 157 HB2 PRO 27 1HB PRO 27 -15.551 1.779 4.602 158 HB3 PRO 27 2HB PRO 27 -15.517 1.940 6.362 159 HG2 PRO 27 1HG PRO 27 -13.630 3.052 4.322 160 HG3 PRO 27 2HG PRO 27 -14.313 3.836 5.759 161 HD2 PRO 27 1HD PRO 27 -11.803 2.821 5.708 162 HD3 PRO 27 2HD PRO 27 -12.797 2.838 7.179 163 H ALA 28 H ALA 28 -14.416 -1.888 4.947 164 HA ALA 28 HA ALA 28 -13.040 -2.013 2.509 165 HB1 ALA 28 1HB ALA 28 -13.473 -4.029 3.696 166 HB2 ALA 28 2HB ALA 28 -15.216 -3.759 3.640 167 HB3 ALA 28 3HB ALA 28 -14.334 -4.132 2.159 168 H SER 29 H SER 29 -14.280 -2.835 0.455 169 HA SER 29 HA SER 29 -15.473 -2.170 -1.370 170 HB2 SER 29 1HB SER 29 -17.862 -1.959 -1.064 171 HB3 SER 29 2HB SER 29 -17.269 -3.211 0.028 172 HG SER 29 HG SER 29 -18.409 -2.032 1.391 173 H LEU 30 H LEU 30 -13.771 -0.230 -0.650 174 HA LEU 30 HA LEU 30 -15.081 2.133 -1.605 175 HB2 LEU 30 1HB LEU 30 -15.647 2.292 0.754 176 HB3 LEU 30 2HB LEU 30 -13.949 2.111 1.189 177 HG LEU 30 HG LEU 30 -13.754 4.297 -0.333 178 HD11 LEU 30 1HD1 LEU 30 -16.568 3.962 0.035 179 HD12 LEU 30 2HD1 LEU 30 -15.701 5.220 -0.846 180 HD13 LEU 30 3HD1 LEU 30 -16.033 5.418 0.875 181 HD21 LEU 30 1HD2 LEU 30 -13.364 5.430 1.615 182 HD22 LEU 30 2HD2 LEU 30 -13.298 3.769 2.207 183 HD23 LEU 30 3HD2 LEU 30 -14.761 4.730 2.434 184 HA PRO 31 HA PRO 31 -11.013 2.589 -3.256 185 HB2 PRO 31 1HB PRO 31 -11.273 5.121 -4.202 186 HB3 PRO 31 2HB PRO 31 -12.016 3.721 -4.985 187 HG2 PRO 31 1HG PRO 31 -13.242 5.729 -3.134 188 HG3 PRO 31 2HG PRO 31 -13.902 5.034 -4.626 189 HD2 PRO 31 1HD PRO 31 -14.635 4.169 -2.168 190 HD3 PRO 31 2HD PRO 31 -14.565 3.092 -3.577 191 H VAL 32 H VAL 32 -9.579 2.637 -1.567 192 HA VAL 32 HA VAL 32 -9.245 5.203 -0.159 193 HB VAL 32 HB VAL 32 -9.765 3.159 1.233 194 HG11 VAL 32 1HG1 VAL 32 -8.459 1.525 0.009 195 HG12 VAL 32 2HG1 VAL 32 -6.971 2.393 0.391 196 HG13 VAL 32 3HG1 VAL 32 -7.896 1.618 1.677 197 HG21 VAL 32 1HG2 VAL 32 -8.538 3.961 2.996 198 HG22 VAL 32 2HG2 VAL 32 -7.078 4.169 2.030 199 HG23 VAL 32 3HG2 VAL 32 -8.407 5.318 1.877 200 H GLU 33 H GLU 33 -7.246 6.166 -0.057 201 HA GLU 33 HA GLU 33 -4.996 4.841 -1.380 202 HB2 GLU 33 1HB GLU 33 -4.489 6.923 -2.642 203 HB3 GLU 33 2HB GLU 33 -5.981 6.145 -3.149 204 HG2 GLU 33 1HG GLU 33 -7.312 7.793 -2.234 205 HG3 GLU 33 2HG GLU 33 -6.056 8.332 -1.121 206 H PHE 34 H PHE 34 -3.031 5.320 -0.525 207 HA PHE 34 HA PHE 34 -3.025 7.157 1.772 208 HB2 PHE 34 1HB PHE 34 -0.917 5.833 2.398 209 HB3 PHE 34 2HB PHE 34 -2.465 5.009 2.558 210 HD1 PHE 34 1HD PHE 34 -3.166 3.379 0.798 211 HD2 PHE 34 2HD PHE 34 0.757 5.021 0.962 212 HE1 PHE 34 1HE PHE 34 -2.349 1.560 -0.643 213 HE2 PHE 34 2HE PHE 34 1.581 3.206 -0.480 214 HZ PHE 34 HZ PHE 34 0.027 1.472 -1.285 215 H THR 35 H THR 35 -0.512 7.758 2.203 216 HA THR 35 HA THR 35 0.602 8.766 -0.326 217 HB THR 35 HB THR 35 0.274 10.383 2.210 218 HG1 THR 35 1HG THR 35 -1.074 11.663 0.830 219 HG21 THR 35 1HG2 THR 35 1.525 12.079 1.270 220 HG22 THR 35 2HG2 THR 35 1.267 11.501 -0.377 221 HG23 THR 35 3HG2 THR 35 2.392 10.658 0.689 222 H ILE 36 H ILE 36 2.634 8.130 -0.558 223 HA ILE 36 HA ILE 36 4.156 7.312 1.804 224 HB ILE 36 HB ILE 36 4.874 6.908 -1.099 225 HG12 ILE 36 1HG1 ILE 36 2.698 5.821 -0.295 226 HG13 ILE 36 2HG1 ILE 36 3.903 4.757 -1.013 227 HG21 ILE 36 1HG2 ILE 36 5.895 5.540 1.386 228 HG22 ILE 36 2HG2 ILE 36 6.435 5.260 -0.268 229 HG23 ILE 36 3HG2 ILE 36 6.743 6.813 0.507 230 HD11 ILE 36 1HD1 ILE 36 4.473 3.827 1.040 231 HD12 ILE 36 2HD1 ILE 36 3.743 5.151 1.948 232 HD13 ILE 36 3HD1 ILE 36 2.719 3.985 1.111 233 H ASP 37 H ASP 37 4.859 9.265 2.636 234 HA ASP 37 HA ASP 37 6.186 11.206 0.974 235 HB2 ASP 37 1HB ASP 37 5.789 10.982 3.959 236 HB3 ASP 37 2HB ASP 37 6.688 12.298 3.208 237 H ALA 38 H ALA 38 7.990 10.278 0.073 238 HA ALA 38 HA ALA 38 10.138 9.585 1.966 239 HB1 ALA 38 1HB ALA 38 10.451 8.255 -0.578 240 HB2 ALA 38 2HB ALA 38 10.450 7.582 1.053 241 HB3 ALA 38 3HB ALA 38 8.927 7.816 0.194 242 H ARG 39 H ARG 39 11.734 11.007 1.818 243 HA ARG 39 HA ARG 39 12.077 12.545 -0.641 244 HB2 ARG 39 1HB ARG 39 13.397 12.896 2.057 245 HB3 ARG 39 2HB ARG 39 13.511 14.004 0.696 246 HG2 ARG 39 1HG ARG 39 11.881 15.070 1.829 247 HG3 ARG 39 2HG ARG 39 10.855 13.930 0.956 248 HD2 ARG 39 1HD ARG 39 10.153 13.840 3.207 249 HD3 ARG 39 2HD ARG 39 11.112 12.384 2.941 250 HE ARG 39 HE ARG 39 12.681 13.175 4.424 251 HH11 ARG 39 1HH1 ARG 39 10.442 15.716 3.617 252 HH12 ARG 39 2HH1 ARG 39 11.022 16.794 4.844 253 HH21 ARG 39 1HH2 ARG 39 13.453 14.585 6.042 254 HH22 ARG 39 2HH2 ARG 39 12.735 16.150 6.222 255 H ASP 40 H ASP 40 14.184 10.857 1.694 256 HA ASP 40 HA ASP 40 16.183 10.526 -0.421 257 HB2 ASP 40 1HB ASP 40 16.290 10.331 2.579 258 HB3 ASP 40 2HB ASP 40 17.576 9.663 1.578 259 H ALA 41 H ALA 41 13.770 8.976 -0.489 260 HA ALA 41 HA ALA 41 14.103 6.385 0.556 261 HB1 ALA 41 1HB ALA 41 11.935 6.996 -0.135 262 HB2 ALA 41 2HB ALA 41 12.490 7.443 -1.749 263 HB3 ALA 41 3HB ALA 41 12.459 5.747 -1.265 264 H GLY 42 H GLY 42 15.529 7.974 -2.153 265 HA2 GLY 42 1HA GLY 42 17.633 6.823 -2.882 266 HA3 GLY 42 2HA GLY 42 16.632 5.391 -3.074 267 H GLU 43 H GLU 43 18.075 6.122 -5.200 268 HA GLU 43 HA GLU 43 16.386 7.753 -6.938 269 HB2 GLU 43 1HB GLU 43 18.888 8.055 -6.852 270 HB3 GLU 43 2HB GLU 43 19.038 6.470 -7.598 271 HG2 GLU 43 1HG GLU 43 18.002 7.206 -9.591 272 HG3 GLU 43 2HG GLU 43 17.480 8.715 -8.843 273 H GLY 44 H GLY 44 14.924 5.664 -6.411 274 HA2 GLY 44 1HA GLY 44 15.153 3.990 -8.827 275 HA3 GLY 44 2HA GLY 44 14.831 3.254 -7.264 276 H LEU 45 H LEU 45 12.897 2.400 -8.263 277 HA LEU 45 HA LEU 45 10.746 4.406 -8.455 278 HB2 LEU 45 1HB LEU 45 9.651 3.096 -10.063 279 HB3 LEU 45 2HB LEU 45 11.345 3.127 -10.550 280 HG LEU 45 HG LEU 45 11.372 0.841 -9.186 281 HD11 LEU 45 1HD1 LEU 45 8.946 1.135 -8.601 282 HD12 LEU 45 2HD1 LEU 45 9.359 -0.397 -9.372 283 HD13 LEU 45 3HD1 LEU 45 8.581 0.879 -10.308 284 HD21 LEU 45 1HD2 LEU 45 11.486 -0.222 -11.221 285 HD22 LEU 45 2HD2 LEU 45 11.777 1.452 -11.695 286 HD23 LEU 45 3HD2 LEU 45 10.180 0.736 -11.919 287 H LEU 46 H LEU 46 9.063 4.221 -7.106 288 HA LEU 46 HA LEU 46 9.146 2.271 -5.012 289 HB2 LEU 46 1HB LEU 46 8.416 4.470 -4.465 290 HB3 LEU 46 2HB LEU 46 7.183 4.438 -5.724 291 HG LEU 46 HG LEU 46 6.202 2.470 -4.312 292 HD11 LEU 46 1HD1 LEU 46 8.368 2.803 -2.794 293 HD12 LEU 46 2HD1 LEU 46 6.824 2.249 -2.145 294 HD13 LEU 46 3HD1 LEU 46 7.290 3.943 -1.988 295 HD21 LEU 46 1HD2 LEU 46 5.777 5.266 -4.425 296 HD22 LEU 46 2HD2 LEU 46 5.564 4.760 -2.748 297 HD23 LEU 46 3HD2 LEU 46 4.619 3.996 -4.028 298 H THR 47 H THR 47 7.746 0.587 -4.605 299 HA THR 47 HA THR 47 5.801 -0.077 -6.708 300 HB THR 47 HB THR 47 6.445 -2.487 -6.452 301 HG1 THR 47 1HG THR 47 8.919 -1.646 -5.419 302 HG21 THR 47 1HG2 THR 47 7.359 -0.737 -8.200 303 HG22 THR 47 2HG2 THR 47 8.017 -2.372 -8.126 304 HG23 THR 47 3HG2 THR 47 8.884 -1.037 -7.368 305 H VAL 48 H VAL 48 3.906 -0.952 -6.017 306 HA VAL 48 HA VAL 48 3.666 -1.662 -3.175 307 HB VAL 48 HB VAL 48 1.739 0.107 -4.688 308 HG11 VAL 48 1HG1 VAL 48 1.344 -0.116 -1.826 309 HG12 VAL 48 2HG1 VAL 48 0.186 -0.304 -3.145 310 HG13 VAL 48 3HG1 VAL 48 1.178 -1.672 -2.639 311 HG21 VAL 48 1HG2 VAL 48 3.496 1.501 -4.081 312 HG22 VAL 48 2HG2 VAL 48 2.376 1.669 -2.729 313 HG23 VAL 48 3HG2 VAL 48 3.795 0.634 -2.575 314 H GLN 49 H GLN 49 2.421 -3.407 -2.755 315 HA GLN 49 HA GLN 49 0.664 -4.443 -4.854 316 HB2 GLN 49 1HB GLN 49 2.832 -5.570 -5.148 317 HB3 GLN 49 2HB GLN 49 2.785 -6.096 -3.471 318 HG2 GLN 49 1HG GLN 49 2.089 -7.963 -4.650 319 HG3 GLN 49 2HG GLN 49 0.580 -7.239 -4.095 320 HE21 GLN 49 1HE2 GLN 49 2.493 -8.122 -6.793 321 HE22 GLN 49 2HE2 GLN 49 1.380 -7.643 -8.025 322 H ILE 50 H ILE 50 -1.156 -5.406 -4.106 323 HA ILE 50 HA ILE 50 -1.376 -5.779 -1.191 324 HB ILE 50 HB ILE 50 -3.596 -4.876 -3.026 325 HG12 ILE 50 1HG1 ILE 50 -2.093 -3.245 -0.971 326 HG13 ILE 50 2HG1 ILE 50 -1.768 -3.184 -2.700 327 HG21 ILE 50 1HG2 ILE 50 -3.416 -5.283 -0.052 328 HG22 ILE 50 2HG2 ILE 50 -4.695 -4.343 -0.817 329 HG23 ILE 50 3HG2 ILE 50 -4.516 -6.056 -1.193 330 HD11 ILE 50 1HD1 ILE 50 -4.569 -2.786 -2.151 331 HD12 ILE 50 2HD1 ILE 50 -3.564 -1.626 -1.281 332 HD13 ILE 50 3HD1 ILE 50 -3.434 -1.767 -3.034 333 H LEU 51 H LEU 51 -2.180 -7.673 -0.489 334 HA LEU 51 HA LEU 51 -3.233 -9.537 -2.514 335 HB2 LEU 51 1HB LEU 51 -1.623 -10.135 -0.037 336 HB3 LEU 51 2HB LEU 51 -2.336 -11.352 -1.094 337 HG LEU 51 HG LEU 51 -0.052 -9.483 -1.682 338 HD11 LEU 51 1HD1 LEU 51 0.836 -11.847 -2.406 339 HD12 LEU 51 2HD1 LEU 51 -0.407 -12.412 -1.291 340 HD13 LEU 51 3HD1 LEU 51 0.871 -11.340 -0.717 341 HD21 LEU 51 1HD2 LEU 51 -1.552 -9.486 -3.611 342 HD22 LEU 51 2HD2 LEU 51 -1.542 -11.250 -3.623 343 HD23 LEU 51 3HD2 LEU 51 -0.058 -10.356 -3.961 344 H ASP 52 H ASP 52 -5.342 -9.816 -2.270 345 HA ASP 52 HA ASP 52 -6.994 -9.023 -0.284 346 HB2 ASP 52 1HB ASP 52 -8.314 -11.258 -0.959 347 HB3 ASP 52 2HB ASP 52 -8.225 -9.851 -2.015 348 HA PRO 53 HA PRO 53 -6.471 -11.435 3.340 349 HB2 PRO 53 1HB PRO 53 -9.024 -11.890 4.144 350 HB3 PRO 53 2HB PRO 53 -8.251 -10.303 4.250 351 HG2 PRO 53 1HG PRO 53 -10.144 -11.354 2.183 352 HG3 PRO 53 2HG PRO 53 -10.112 -9.763 2.965 353 HD2 PRO 53 1HD PRO 53 -9.125 -10.184 0.479 354 HD3 PRO 53 2HD PRO 53 -8.438 -8.980 1.588 355 H GLU 54 H GLU 54 -7.439 -12.815 0.555 356 HA GLU 54 HA GLU 54 -7.995 -15.441 1.752 357 HB2 GLU 54 1HB GLU 54 -8.433 -14.435 -1.064 358 HB3 GLU 54 2HB GLU 54 -8.748 -16.081 -0.534 359 HG2 GLU 54 1HG GLU 54 -10.062 -13.701 0.736 360 HG3 GLU 54 2HG GLU 54 -10.733 -14.522 -0.672 361 H GLY 55 H GLY 55 -5.799 -13.684 -0.330 362 HA2 GLY 55 1HA GLY 55 -3.456 -14.459 -0.225 363 HA3 GLY 55 2HA GLY 55 -4.082 -16.088 -0.424 364 H LYS 56 H LYS 56 -5.101 -13.190 -2.166 365 HA LYS 56 HA LYS 56 -3.887 -14.288 -4.609 366 HB2 LYS 56 1HB LYS 56 -6.616 -13.006 -4.555 367 HB3 LYS 56 2HB LYS 56 -5.857 -13.872 -5.885 368 HG2 LYS 56 1HG LYS 56 -6.532 -15.205 -3.281 369 HG3 LYS 56 2HG LYS 56 -7.682 -15.084 -4.615 370 HD2 LYS 56 1HD LYS 56 -6.155 -16.282 -6.074 371 HD3 LYS 56 2HD LYS 56 -4.942 -16.339 -4.793 372 HE2 LYS 56 1HE LYS 56 -6.868 -17.498 -3.447 373 HE3 LYS 56 2HE LYS 56 -7.510 -17.839 -5.053 374 HZ1 LYS 56 1HZ LYS 56 -5.062 -18.835 -3.780 375 HZ2 LYS 56 2HZ LYS 56 -5.082 -18.660 -5.462 376 HZ3 LYS 56 3HZ LYS 56 -6.210 -19.666 -4.704 377 HA PRO 57 HA PRO 57 -2.353 -10.237 -5.328 378 HB2 PRO 57 1HB PRO 57 -2.289 -10.188 -8.042 379 HB3 PRO 57 2HB PRO 57 -1.155 -11.135 -7.071 380 HG2 PRO 57 1HG PRO 57 -3.635 -12.025 -8.491 381 HG3 PRO 57 2HG PRO 57 -2.051 -12.818 -8.402 382 HD2 PRO 57 1HD PRO 57 -4.150 -13.582 -6.871 383 HD3 PRO 57 2HD PRO 57 -2.468 -13.699 -6.314 384 H LYS 58 H LYS 58 -3.202 -8.245 -5.384 385 HA LYS 58 HA LYS 58 -5.872 -7.917 -6.577 386 HB2 LYS 58 1HB LYS 58 -4.493 -6.394 -4.362 387 HB3 LYS 58 2HB LYS 58 -6.035 -5.919 -5.064 388 HG2 LYS 58 1HG LYS 58 -5.549 -8.590 -3.769 389 HG3 LYS 58 2HG LYS 58 -6.188 -7.184 -2.915 390 HD2 LYS 58 1HD LYS 58 -7.449 -8.374 -5.382 391 HD3 LYS 58 2HD LYS 58 -7.928 -8.785 -3.733 392 HE2 LYS 58 1HE LYS 58 -8.152 -6.184 -3.486 393 HE3 LYS 58 2HE LYS 58 -8.288 -6.235 -5.243 394 HZ1 LYS 58 1HZ LYS 58 -10.290 -7.251 -5.151 395 HZ2 LYS 58 2HZ LYS 58 -10.372 -6.471 -3.652 396 HZ3 LYS 58 3HZ LYS 58 -9.940 -8.104 -3.733 397 H LYS 59 H LYS 59 -6.182 -5.353 -6.978 398 HA LYS 59 HA LYS 59 -4.031 -4.629 -8.851 399 HB2 LYS 59 1HB LYS 59 -6.274 -5.062 -9.837 400 HB3 LYS 59 2HB LYS 59 -6.921 -3.739 -8.876 401 HG2 LYS 59 1HG LYS 59 -5.905 -2.131 -10.149 402 HG3 LYS 59 2HG LYS 59 -4.606 -3.207 -10.668 403 HD2 LYS 59 1HD LYS 59 -5.905 -2.952 -12.587 404 HD3 LYS 59 2HD LYS 59 -6.456 -4.490 -11.918 405 HE2 LYS 59 1HE LYS 59 -8.189 -2.920 -10.685 406 HE3 LYS 59 2HE LYS 59 -7.841 -1.859 -12.050 407 HZ1 LYS 59 1HZ LYS 59 -9.191 -3.070 -13.293 408 HZ2 LYS 59 2HZ LYS 59 -9.534 -4.079 -11.980 409 HZ3 LYS 59 3HZ LYS 59 -8.255 -4.454 -13.022 410 H ALA 60 H ALA 60 -2.769 -3.013 -8.235 411 HA ALA 60 HA ALA 60 -3.932 -0.865 -6.586 412 HB1 ALA 60 1HB ALA 60 -1.377 -2.365 -6.248 413 HB2 ALA 60 2HB ALA 60 -1.465 -0.679 -5.737 414 HB3 ALA 60 3HB ALA 60 -2.562 -1.871 -5.039 415 H ASN 61 H ASN 61 -3.114 1.240 -6.919 416 HA ASN 61 HA ASN 61 -1.678 1.582 -9.470 417 HB2 ASN 61 1HB ASN 61 -3.805 3.355 -8.247 418 HB3 ASN 61 2HB ASN 61 -2.908 3.724 -9.718 419 HD21 ASN 61 1HD2 ASN 61 -4.824 1.089 -8.312 420 HD22 ASN 61 2HD2 ASN 61 -5.669 0.700 -9.768 421 H ILE 62 H ILE 62 -0.155 3.254 -9.620 422 HA ILE 62 HA ILE 62 0.618 4.515 -7.077 423 HB ILE 62 HB ILE 62 2.527 3.301 -9.079 424 HG12 ILE 62 1HG1 ILE 62 2.355 2.448 -6.223 425 HG13 ILE 62 2HG1 ILE 62 1.125 1.867 -7.340 426 HG21 ILE 62 1HG2 ILE 62 4.296 3.984 -7.625 427 HG22 ILE 62 2HG2 ILE 62 3.302 5.399 -7.970 428 HG23 ILE 62 3HG2 ILE 62 3.150 4.572 -6.420 429 HD11 ILE 62 1HD1 ILE 62 2.571 0.201 -7.691 430 HD12 ILE 62 2HD1 ILE 62 3.388 1.361 -8.740 431 HD13 ILE 62 3HD1 ILE 62 3.942 1.128 -7.082 432 H ARG 63 H ARG 63 1.313 6.604 -7.193 433 HA ARG 63 HA ARG 63 1.556 7.809 -9.865 434 HB2 ARG 63 1HB ARG 63 -0.658 8.361 -9.057 435 HB3 ARG 63 2HB ARG 63 -0.002 8.900 -7.517 436 HG2 ARG 63 1HG ARG 63 -0.355 10.895 -8.587 437 HG3 ARG 63 2HG ARG 63 1.333 10.581 -8.993 438 HD2 ARG 63 1HD ARG 63 0.301 9.386 -11.076 439 HD3 ARG 63 2HD ARG 63 -1.103 10.388 -10.708 440 HE ARG 63 HE ARG 63 1.016 12.120 -10.713 441 HH11 ARG 63 1HH1 ARG 63 -0.357 9.867 -12.984 442 HH12 ARG 63 2HH1 ARG 63 0.125 10.777 -14.377 443 HH21 ARG 63 1HH2 ARG 63 1.656 13.327 -12.539 444 HH22 ARG 63 2HH2 ARG 63 1.271 12.744 -14.123 445 H ASP 64 H ASP 64 3.064 9.426 -10.079 446 HA ASP 64 HA ASP 64 4.938 9.688 -7.845 447 HB2 ASP 64 1HB ASP 64 5.330 10.576 -10.707 448 HB3 ASP 64 2HB ASP 64 6.567 10.395 -9.466 449 H ASN 65 H ASN 65 5.071 11.491 -6.686 450 HA ASN 65 HA ASN 65 3.491 13.802 -7.486 451 HB2 ASN 65 1HB ASN 65 4.680 12.814 -4.941 452 HB3 ASN 65 2HB ASN 65 4.458 14.553 -5.110 453 HD21 ASN 65 1HD2 ASN 65 2.908 11.482 -4.799 454 HD22 ASN 65 2HD2 ASN 65 1.306 12.080 -4.549 455 H GLY 66 H GLY 66 6.845 12.911 -6.870 456 HA2 GLY 66 1HA GLY 66 8.725 13.890 -7.861 457 HA3 GLY 66 2HA GLY 66 7.716 15.223 -8.405 458 H ASP 67 H ASP 67 6.634 15.461 -5.594 459 HA ASP 67 HA ASP 67 8.681 17.287 -4.662 460 HB2 ASP 67 1HB ASP 67 6.390 18.063 -4.612 461 HB3 ASP 67 2HB ASP 67 5.901 16.677 -3.641 462 H GLY 68 H GLY 68 9.222 14.419 -4.550 463 HA2 GLY 68 1HA GLY 68 10.427 13.089 -3.093 464 HA3 GLY 68 2HA GLY 68 10.216 14.321 -1.858 465 H THR 69 H THR 69 7.485 12.964 -3.538 466 HA THR 69 HA THR 69 6.917 11.096 -1.378 467 HB THR 69 HB THR 69 4.712 12.004 -0.900 468 HG1 THR 69 1HG THR 69 4.505 14.325 -1.803 469 HG21 THR 69 1HG2 THR 69 6.501 14.386 -0.653 470 HG22 THR 69 2HG2 THR 69 6.920 12.895 0.191 471 HG23 THR 69 3HG2 THR 69 5.384 13.695 0.523 472 H TYR 70 H TYR 70 4.691 10.025 -1.827 473 HA TYR 70 HA TYR 70 4.085 9.847 -4.674 474 HB2 TYR 70 1HB TYR 70 4.833 7.413 -3.041 475 HB3 TYR 70 2HB TYR 70 4.312 7.417 -4.722 476 HD1 TYR 70 1HD TYR 70 7.024 8.521 -2.446 477 HD2 TYR 70 2HD TYR 70 5.860 7.762 -6.467 478 HE1 TYR 70 1HE TYR 70 9.364 8.763 -3.162 479 HE2 TYR 70 2HE TYR 70 8.198 8.001 -7.195 480 HH TYR 70 HH TYR 70 10.434 9.463 -5.745 481 H THR 71 H THR 71 2.135 8.529 -5.090 482 HA THR 71 HA THR 71 0.359 8.335 -2.754 483 HB THR 71 HB THR 71 -0.428 9.536 -5.416 484 HG1 THR 71 1HG THR 71 0.375 10.623 -2.966 485 HG21 THR 71 1HG2 THR 71 -1.970 8.365 -3.293 486 HG22 THR 71 2HG2 THR 71 -2.519 9.038 -4.828 487 HG23 THR 71 3HG2 THR 71 -2.330 10.086 -3.422 488 H VAL 72 H VAL 72 -0.899 6.556 -2.692 489 HA VAL 72 HA VAL 72 -1.118 4.916 -5.124 490 HB VAL 72 HB VAL 72 -0.449 3.880 -2.365 491 HG11 VAL 72 1HG1 VAL 72 -1.011 1.810 -3.004 492 HG12 VAL 72 2HG1 VAL 72 -1.955 2.606 -4.265 493 HG13 VAL 72 3HG1 VAL 72 -0.327 2.023 -4.615 494 HG21 VAL 72 1HG2 VAL 72 1.699 3.645 -3.016 495 HG22 VAL 72 2HG2 VAL 72 1.266 3.271 -4.684 496 HG23 VAL 72 3HG2 VAL 72 1.286 4.946 -4.133 497 H SER 73 H SER 73 -3.113 4.193 -5.533 498 HA SER 73 HA SER 73 -5.114 4.363 -3.375 499 HB2 SER 73 1HB SER 73 -6.761 5.086 -4.956 500 HB3 SER 73 2HB SER 73 -5.336 6.096 -5.205 501 HG SER 73 HG SER 73 -4.781 4.539 -6.908 502 H TYR 74 H TYR 74 -6.709 2.768 -3.290 503 HA TYR 74 HA TYR 74 -6.753 0.615 -5.202 504 HB2 TYR 74 1HB TYR 74 -6.033 -1.149 -3.758 505 HB3 TYR 74 2HB TYR 74 -4.785 0.091 -3.718 506 HD1 TYR 74 1HD TYR 74 -4.464 1.467 -1.715 507 HD2 TYR 74 2HD TYR 74 -7.350 -1.657 -1.804 508 HE1 TYR 74 1HE TYR 74 -4.612 1.544 0.738 509 HE2 TYR 74 2HE TYR 74 -7.508 -1.589 0.650 510 HH TYR 74 HH TYR 74 -6.599 -0.769 2.531 511 H LEU 75 H LEU 75 -8.366 -1.066 -4.583 512 HA LEU 75 HA LEU 75 -10.412 -0.017 -2.749 513 HB2 LEU 75 1HB LEU 75 -11.247 0.537 -4.877 514 HB3 LEU 75 2HB LEU 75 -10.745 -1.007 -5.563 515 HG LEU 75 HG LEU 75 -12.514 -1.906 -3.776 516 HD11 LEU 75 1HD1 LEU 75 -12.974 0.433 -3.009 517 HD12 LEU 75 2HD1 LEU 75 -14.393 -0.469 -3.537 518 HD13 LEU 75 3HD1 LEU 75 -13.678 0.746 -4.596 519 HD21 LEU 75 1HD2 LEU 75 -13.804 -2.425 -5.575 520 HD22 LEU 75 2HD2 LEU 75 -12.350 -1.906 -6.428 521 HD23 LEU 75 3HD2 LEU 75 -13.713 -0.799 -6.252 522 HA PRO 76 HA PRO 76 -9.592 -4.260 -1.369 523 HB2 PRO 76 1HB PRO 76 -10.545 -3.846 1.139 524 HB3 PRO 76 2HB PRO 76 -8.911 -3.388 0.645 525 HG2 PRO 76 1HG PRO 76 -11.363 -1.688 0.887 526 HG3 PRO 76 2HG PRO 76 -9.700 -1.332 1.390 527 HD2 PRO 76 1HD PRO 76 -10.769 -0.362 -0.901 528 HD3 PRO 76 2HD PRO 76 -9.045 -0.756 -0.743 529 H ASP 77 H ASP 77 -11.296 -4.930 -2.863 530 HA ASP 77 HA ASP 77 -14.015 -4.684 -2.501 531 HB2 ASP 77 1HB ASP 77 -12.583 -5.894 -4.356 532 HB3 ASP 77 2HB ASP 77 -12.924 -7.324 -3.386 533 H MET 78 H MET 78 -12.005 -7.402 -1.355 534 HA MET 78 HA MET 78 -14.143 -8.369 0.324 535 HB2 MET 78 1HB MET 78 -11.266 -9.280 0.143 536 HB3 MET 78 2HB MET 78 -12.571 -10.135 0.953 537 HG2 MET 78 1HG MET 78 -12.379 -9.578 -1.998 538 HG3 MET 78 2HG MET 78 -12.080 -11.123 -1.205 539 HE1 MET 78 1HE MET 78 -15.842 -9.745 -2.993 540 HE2 MET 78 2HE MET 78 -15.138 -8.464 -2.006 541 HE3 MET 78 3HE MET 78 -14.166 -9.257 -3.246 542 H SER 79 H SER 79 -13.650 -8.898 2.656 543 HA SER 79 HA SER 79 -12.266 -6.613 3.901 544 HB2 SER 79 1HB SER 79 -14.641 -8.194 4.913 545 HB3 SER 79 2HB SER 79 -13.826 -6.915 5.812 546 HG SER 79 HG SER 79 -14.689 -6.313 3.234 547 H GLY 80 H GLY 80 -11.051 -6.971 5.793 548 HA2 GLY 80 1HA GLY 80 -10.564 -8.853 7.484 549 HA3 GLY 80 2HA GLY 80 -10.104 -9.748 6.043 550 H ARG 81 H ARG 81 -8.006 -9.974 7.025 551 HA ARG 81 HA ARG 81 -6.405 -7.584 7.372 552 HB2 ARG 81 1HB ARG 81 -6.298 -9.789 8.752 553 HB3 ARG 81 2HB ARG 81 -5.315 -10.379 7.418 554 HG2 ARG 81 1HG ARG 81 -3.906 -8.261 7.798 555 HG3 ARG 81 2HG ARG 81 -4.728 -8.179 9.358 556 HD2 ARG 81 1HD ARG 81 -3.129 -10.518 8.321 557 HD3 ARG 81 2HD ARG 81 -2.585 -9.351 9.525 558 HE ARG 81 HE ARG 81 -5.030 -10.665 10.245 559 HH11 ARG 81 1HH1 ARG 81 -1.557 -10.899 10.269 560 HH12 ARG 81 2HH1 ARG 81 -1.509 -11.982 11.620 561 HH21 ARG 81 1HH2 ARG 81 -4.980 -12.090 12.025 562 HH22 ARG 81 2HH2 ARG 81 -3.456 -12.660 12.618 563 H TYR 82 H TYR 82 -5.656 -6.594 5.617 564 HA TYR 82 HA TYR 82 -5.042 -8.126 3.216 565 HB2 TYR 82 1HB TYR 82 -5.508 -5.251 3.840 566 HB3 TYR 82 2HB TYR 82 -4.487 -5.631 2.457 567 HD1 TYR 82 2HD TYR 82 -7.877 -5.829 3.839 568 HD2 TYR 82 1HD TYR 82 -5.412 -6.670 0.474 569 HE1 TYR 82 2HE TYR 82 -9.885 -6.192 2.466 570 HE2 TYR 82 1HE TYR 82 -7.414 -7.034 -0.908 571 HH TYR 82 HH TYR 82 -10.662 -6.914 0.494 572 H THR 83 H THR 83 -3.028 -8.136 2.204 573 HA THR 83 HA THR 83 -0.776 -7.452 3.974 574 HB THR 83 HB THR 83 -0.848 -9.492 1.742 575 HG1 THR 83 1HG THR 83 -0.811 -9.848 4.572 576 HG21 THR 83 1HG2 THR 83 1.273 -9.566 3.783 577 HG22 THR 83 2HG2 THR 83 1.346 -8.198 2.671 578 HG23 THR 83 3HG2 THR 83 1.361 -9.846 2.044 579 H ILE 84 H ILE 84 0.021 -5.529 3.386 580 HA ILE 84 HA ILE 84 0.223 -4.874 0.535 581 HB ILE 84 HB ILE 84 0.717 -3.050 2.888 582 HG12 ILE 84 1HG1 ILE 84 -1.764 -3.097 1.177 583 HG13 ILE 84 2HG1 ILE 84 -1.644 -4.035 2.662 584 HG21 ILE 84 1HG2 ILE 84 1.659 -2.589 0.516 585 HG22 ILE 84 2HG2 ILE 84 -0.013 -2.195 0.118 586 HG23 ILE 84 3HG2 ILE 84 0.828 -1.296 1.381 587 HD11 ILE 84 1HD1 ILE 84 -1.272 -1.992 3.930 588 HD12 ILE 84 2HD1 ILE 84 -1.371 -1.047 2.443 589 HD13 ILE 84 3HD1 ILE 84 -2.785 -1.923 3.028 590 H THR 85 H THR 85 2.095 -5.087 -0.481 591 HA THR 85 HA THR 85 4.563 -5.210 1.123 592 HB THR 85 HB THR 85 4.138 -6.344 -1.647 593 HG1 THR 85 1HG THR 85 4.195 -8.380 -0.389 594 HG21 THR 85 1HG2 THR 85 6.198 -7.684 -0.912 595 HG22 THR 85 2HG2 THR 85 6.383 -6.464 0.348 596 HG23 THR 85 3HG2 THR 85 6.440 -5.993 -1.350 597 H ILE 86 H ILE 86 5.545 -3.288 1.082 598 HA ILE 86 HA ILE 86 5.623 -1.800 -1.455 599 HB ILE 86 HB ILE 86 6.082 -0.809 1.360 600 HG12 ILE 86 1HG1 ILE 86 3.850 -0.183 -0.583 601 HG13 ILE 86 2HG1 ILE 86 3.716 -1.329 0.746 602 HG21 ILE 86 1HG2 ILE 86 7.428 0.603 0.160 603 HG22 ILE 86 2HG2 ILE 86 6.468 0.446 -1.310 604 HG23 ILE 86 3HG2 ILE 86 5.884 1.444 0.021 605 HD11 ILE 86 1HD1 ILE 86 3.306 0.289 2.203 606 HD12 ILE 86 2HD1 ILE 86 4.675 1.248 1.639 607 HD13 ILE 86 3HD1 ILE 86 3.119 1.363 0.817 608 H LYS 87 H LYS 87 7.463 -1.812 -2.548 609 HA LYS 87 HA LYS 87 9.990 -2.110 -1.069 610 HB2 LYS 87 1HB LYS 87 9.129 -3.515 -3.595 611 HB3 LYS 87 2HB LYS 87 10.815 -3.393 -3.109 612 HG2 LYS 87 1HG LYS 87 10.309 -4.575 -1.035 613 HG3 LYS 87 2HG LYS 87 8.614 -4.691 -1.514 614 HD2 LYS 87 1HD LYS 87 9.462 -5.877 -3.608 615 HD3 LYS 87 2HD LYS 87 11.007 -6.013 -2.765 616 HE2 LYS 87 1HE LYS 87 10.100 -7.380 -1.093 617 HE3 LYS 87 2HE LYS 87 8.444 -6.935 -1.504 618 HZ1 LYS 87 1HZ LYS 87 8.395 -8.364 -3.259 619 HZ2 LYS 87 2HZ LYS 87 9.455 -9.213 -2.252 620 HZ3 LYS 87 3HZ LYS 87 10.063 -8.292 -3.534 621 H TYR 88 H TYR 88 11.599 -0.752 -1.641 622 HA TYR 88 HA TYR 88 11.020 1.149 -3.807 623 HB2 TYR 88 1HB TYR 88 11.415 1.890 -1.354 624 HB3 TYR 88 2HB TYR 88 13.112 1.565 -1.689 625 HD1 TYR 88 1HD TYR 88 10.205 3.600 -2.762 626 HD2 TYR 88 2HD TYR 88 14.431 3.117 -2.880 627 HE1 TYR 88 1HE TYR 88 10.426 5.833 -3.768 628 HE2 TYR 88 2HE TYR 88 14.663 5.349 -3.886 629 HH TYR 88 HH TYR 88 13.461 6.993 -5.017 630 H GLY 89 H GLY 89 12.135 0.968 -5.627 631 HA2 GLY 89 1HA GLY 89 13.667 0.067 -7.120 632 HA3 GLY 89 2HA GLY 89 14.784 0.925 -6.069 633 H GLY 90 H GLY 90 12.865 -1.916 -5.219 634 HA2 GLY 90 1HA GLY 90 13.546 -4.135 -4.972 635 HA3 GLY 90 2HA GLY 90 15.168 -3.667 -5.462 636 H ASP 91 H ASP 91 13.184 -2.313 -2.861 637 HA ASP 91 HA ASP 91 14.831 -3.602 -0.845 638 HB2 ASP 91 1HB ASP 91 15.816 -1.291 -1.696 639 HB3 ASP 91 2HB ASP 91 14.605 -0.637 -0.597 640 H GLU 92 H GLU 92 13.227 -4.508 0.291 641 HA GLU 92 HA GLU 92 10.655 -3.363 0.622 642 HB2 GLU 92 1HB GLU 92 11.402 -5.840 0.808 643 HB3 GLU 92 2HB GLU 92 11.797 -5.435 2.472 644 HG2 GLU 92 1HG GLU 92 9.514 -4.817 2.915 645 HG3 GLU 92 2HG GLU 92 9.085 -5.065 1.223 646 H ILE 93 H ILE 93 9.999 -1.833 1.972 647 HA ILE 93 HA ILE 93 11.703 -0.467 3.718 648 HB ILE 93 HB ILE 93 9.631 0.569 4.640 649 HG12 ILE 93 1HG1 ILE 93 8.163 -1.121 2.616 650 HG13 ILE 93 2HG1 ILE 93 8.258 -1.547 4.321 651 HG21 ILE 93 1HG2 ILE 93 8.825 1.247 2.175 652 HG22 ILE 93 2HG2 ILE 93 10.312 1.847 2.905 653 HG23 ILE 93 3HG2 ILE 93 10.368 0.489 1.783 654 HD11 ILE 93 1HD1 ILE 93 6.415 -0.348 4.589 655 HD12 ILE 93 2HD1 ILE 93 7.414 1.083 4.336 656 HD13 ILE 93 3HD1 ILE 93 6.553 0.358 2.979 657 HA PRO 94 HA PRO 94 11.728 -2.801 7.438 658 HB2 PRO 94 1HB PRO 94 11.919 -0.819 9.283 659 HB3 PRO 94 2HB PRO 94 13.261 -1.285 8.231 660 HG2 PRO 94 1HG PRO 94 11.342 0.997 7.956 661 HG3 PRO 94 2HG PRO 94 13.097 0.974 7.703 662 HD2 PRO 94 1HD PRO 94 11.329 0.868 5.655 663 HD3 PRO 94 2HD PRO 94 12.909 0.059 5.596 664 H TYR 95 H TYR 95 9.109 -1.071 6.468 665 HA TYR 95 HA TYR 95 7.596 -1.582 8.939 666 HB2 TYR 95 1HB TYR 95 6.799 0.169 6.606 667 HB3 TYR 95 2HB TYR 95 5.976 0.038 8.157 668 HD1 TYR 95 1HD TYR 95 9.138 1.147 6.560 669 HD2 TYR 95 2HD TYR 95 6.608 1.394 9.972 670 HE1 TYR 95 1HE TYR 95 10.507 2.995 7.434 671 HE2 TYR 95 2HE TYR 95 7.969 3.243 10.854 672 HH TYR 95 HH TYR 95 9.972 4.320 10.641 673 H SER 96 H SER 96 8.128 -2.716 5.809 674 HA SER 96 HA SER 96 5.479 -3.935 5.576 675 HB2 SER 96 1HB SER 96 5.970 -3.235 3.455 676 HB3 SER 96 2HB SER 96 7.711 -3.368 3.700 677 HG SER 96 HG SER 96 7.637 -5.478 3.216 678 HA PRO 97 HA PRO 97 4.815 -5.686 4.108 679 HB2 PRO 97 1HB PRO 97 3.165 -7.631 5.040 680 HB3 PRO 97 2HB PRO 97 4.427 -7.935 3.840 681 HG2 PRO 97 1HG PRO 97 4.462 -8.427 6.793 682 HG3 PRO 97 2HG PRO 97 5.048 -9.463 5.479 683 HD2 PRO 97 1HD PRO 97 6.704 -7.928 6.973 684 HD3 PRO 97 2HD PRO 97 7.020 -8.289 5.264 685 H PHE 98 H PHE 98 3.034 -4.446 4.468 686 HA PHE 98 HA PHE 98 2.600 -3.514 7.175 687 HB2 PHE 98 1HB PHE 98 1.872 -2.587 4.450 688 HB3 PHE 98 2HB PHE 98 0.788 -2.128 5.759 689 HD1 PHE 98 2HD PHE 98 2.312 -1.429 7.973 690 HD2 PHE 98 1HD PHE 98 3.329 -0.928 3.870 691 HE1 PHE 98 2HE PHE 98 3.822 0.417 8.576 692 HE2 PHE 98 1HE PHE 98 4.842 0.918 4.467 693 HZ PHE 98 HZ PHE 98 5.089 1.594 6.822 694 H ARG 99 H ARG 99 0.932 -4.018 8.461 695 HA ARG 99 HA ARG 99 -1.048 -5.917 7.429 696 HB2 ARG 99 1HB ARG 99 -1.533 -6.322 9.857 697 HB3 ARG 99 2HB ARG 99 0.105 -6.729 9.362 698 HG2 ARG 99 1HG ARG 99 -0.371 -4.012 10.450 699 HG3 ARG 99 2HG ARG 99 -0.402 -5.374 11.572 700 HD2 ARG 99 1HD ARG 99 1.816 -5.840 11.283 701 HD3 ARG 99 2HD ARG 99 1.841 -5.221 9.633 702 HE ARG 99 HE ARG 99 1.486 -2.977 11.032 703 HH11 ARG 99 1HH1 ARG 99 3.695 -5.631 11.480 704 HH12 ARG 99 2HH1 ARG 99 4.929 -4.652 12.203 705 HH21 ARG 99 1HH2 ARG 99 3.103 -1.678 11.981 706 HH22 ARG 99 2HH2 ARG 99 4.591 -2.404 12.488 707 H ILE 100 H ILE 100 -3.045 -5.268 7.003 708 HA ILE 100 HA ILE 100 -4.141 -2.971 8.474 709 HB ILE 100 HB ILE 100 -4.652 -3.371 5.535 710 HG12 ILE 100 1HG1 ILE 100 -2.210 -2.934 6.054 711 HG13 ILE 100 2HG1 ILE 100 -2.987 -1.750 5.008 712 HG21 ILE 100 1HG2 ILE 100 -5.199 -0.874 5.807 713 HG22 ILE 100 2HG2 ILE 100 -6.344 -2.054 6.444 714 HG23 ILE 100 3HG2 ILE 100 -5.239 -1.220 7.536 715 HD11 ILE 100 1HD1 ILE 100 -1.472 -0.847 6.807 716 HD12 ILE 100 2HD1 ILE 100 -3.094 -0.155 6.735 717 HD13 ILE 100 3HD1 ILE 100 -2.700 -1.353 7.968 718 H HIS 101 H HIS 101 -6.318 -3.053 8.924 719 HA HIS 101 HA HIS 101 -7.653 -5.595 8.266 720 HB2 HIS 101 1HB HIS 101 -7.091 -4.823 10.735 721 HB3 HIS 101 2HB HIS 101 -8.569 -3.885 10.537 722 HD1 HIS 101 1HD HIS 101 -7.517 -6.988 11.820 723 HD2 HIS 101 2HD HIS 101 -10.735 -5.788 9.483 724 HE1 HIS 101 1HE HIS 101 -9.243 -8.799 12.072 725 HE2 HIS 101 2HE HIS 101 -11.147 -8.093 10.582 726 H ALA 102 H ALA 102 -9.500 -5.549 7.148 727 HA ALA 102 HA ALA 102 -10.723 -2.920 6.632 728 HB1 ALA 102 1HB ALA 102 -10.021 -3.699 4.567 729 HB2 ALA 102 2HB ALA 102 -10.433 -5.372 4.943 730 HB3 ALA 102 3HB ALA 102 -11.711 -4.202 4.614 731 H LEU 103 H LEU 103 -12.542 -2.582 7.715 732 HA LEU 103 HA LEU 103 -14.125 -4.830 8.667 733 HB2 LEU 103 1HB LEU 103 -14.624 -1.895 9.105 734 HB3 LEU 103 2HB LEU 103 -15.290 -3.246 10.020 735 HG LEU 103 HG LEU 103 -12.346 -2.639 9.982 736 HD11 LEU 103 1HD1 LEU 103 -14.036 -1.785 12.264 737 HD12 LEU 103 2HD1 LEU 103 -14.022 -0.768 10.823 738 HD13 LEU 103 3HD1 LEU 103 -12.515 -1.122 11.667 739 HD21 LEU 103 1HD2 LEU 103 -13.812 -3.882 12.248 740 HD22 LEU 103 2HD2 LEU 103 -12.166 -4.155 11.678 741 HD23 LEU 103 3HD2 LEU 103 -13.530 -4.855 10.805 742 HA PRO 104 HA PRO 104 -17.102 -4.603 5.427 743 HB2 PRO 104 1HB PRO 104 -19.174 -5.820 6.690 744 HB3 PRO 104 2HB PRO 104 -17.761 -6.700 6.096 745 HG2 PRO 104 1HG PRO 104 -18.381 -5.763 8.871 746 HG3 PRO 104 2HG PRO 104 -17.709 -7.315 8.338 747 HD2 PRO 104 1HD PRO 104 -16.168 -5.332 9.351 748 HD3 PRO 104 2HD PRO 104 -15.581 -6.460 8.112 749 H THR 105 H THR 105 -17.550 -2.418 5.202 750 HA THR 105 HA THR 105 -19.048 -0.905 7.080 751 HB THR 105 HB THR 105 -17.574 0.231 5.531 752 HG1 THR 105 1HG THR 105 -19.428 1.393 6.201 753 HG21 THR 105 1HG2 THR 105 -18.238 -1.525 3.662 754 HG22 THR 105 2HG2 THR 105 -17.651 0.085 3.246 755 HG23 THR 105 3HG2 THR 105 -19.380 -0.258 3.217 756 H GLY 106 H GLY 106 -19.899 -2.560 4.059 757 HA2 GLY 106 1HA GLY 106 -21.972 -3.560 3.600 758 HA3 GLY 106 2HA GLY 106 -22.670 -2.686 4.956 759 H ASP 107 H ASP 107 -21.805 -0.086 4.223 760 HA ASP 107 HA ASP 107 -23.849 0.992 2.884 761 HB2 ASP 107 1HB ASP 107 -22.091 2.379 3.804 762 HB3 ASP 107 2HB ASP 107 -20.949 1.798 2.595 763 H ALA 108 H ALA 108 -21.032 -0.481 1.330 764 HA ALA 108 HA ALA 108 -22.440 -0.309 -1.251 765 HB1 ALA 108 1HB ALA 108 -19.817 -1.040 -1.788 766 HB2 ALA 108 2HB ALA 108 -20.530 0.560 -1.991 767 HB3 ALA 108 3HB ALA 108 -19.687 0.153 -0.496 768 H SER 109 H SER 109 -23.574 -2.152 -1.459 769 HA SER 109 HA SER 109 -22.714 -4.665 -0.436 770 HB2 SER 109 1HB SER 109 -24.914 -3.885 -2.353 771 HB3 SER 109 2HB SER 109 -24.635 -5.550 -1.844 772 HG SER 109 HG SER 109 -24.803 -3.647 0.171 773 H SER 110 H SER 110 -23.090 -3.476 -3.778 774 HA SER 110 HA SER 110 -21.514 -5.699 -4.780 775 HB2 SER 110 1HB SER 110 -23.187 -3.550 -6.005 776 HB3 SER 110 2HB SER 110 -21.935 -4.299 -6.996 777 HG SER 110 HG SER 110 -24.164 -5.273 -6.919 778 H GLY 111 H GLY 111 -21.232 -2.215 -4.350 779 HA2 GLY 111 1HA GLY 111 -18.706 -1.801 -3.820 780 HA3 GLY 111 2HA GLY 111 -18.537 -2.265 -5.507 781 HA PRO 112 HA PRO 112 -19.391 2.365 -4.990 782 HB2 PRO 112 1HB PRO 112 -16.950 3.259 -5.771 783 HB3 PRO 112 2HB PRO 112 -17.349 2.906 -4.086 784 HG2 PRO 112 1HG PRO 112 -15.875 1.224 -6.076 785 HG3 PRO 112 2HG PRO 112 -15.507 1.515 -4.366 786 HD2 PRO 112 1HD PRO 112 -16.728 -0.742 -5.229 787 HD3 PRO 112 2HD PRO 112 -17.060 -0.025 -3.639 788 H SER 113 H SER 113 -20.699 2.549 -6.742 789 HA SER 113 HA SER 113 -20.108 1.711 -9.348 790 HB2 SER 113 1HB SER 113 -21.995 3.218 -10.019 791 HB3 SER 113 2HB SER 113 -22.395 2.125 -8.695 792 HG SER 113 HG SER 113 -21.611 4.095 -7.389 793 H SER 114 H SER 114 -18.731 2.483 -10.791 794 HA SER 114 HA SER 114 -17.365 4.974 -10.351 795 HB2 SER 114 1HB SER 114 -16.048 3.183 -11.228 796 HB3 SER 114 2HB SER 114 -17.196 2.893 -12.536 797 HG SER 114 HG SER 114 -15.086 4.384 -12.660 798 H GLY 115 H GLY 115 -18.500 6.785 -10.725 799 HA2 GLY 115 1HA GLY 115 -19.286 7.386 -13.429 800 HA3 GLY 115 2HA GLY 115 -20.652 7.226 -12.334 Start of MODEL 18 1 H1 GLY 1 H GLY 1 18.772 -5.386 -17.915 2 HA2 GLY 1 1HA GLY 1 16.673 -3.570 -17.357 3 HA3 GLY 1 2HA GLY 1 17.256 -4.277 -15.858 4 H SER 2 H SER 2 18.616 -2.970 -14.854 5 HA SER 2 HA SER 2 20.292 -1.163 -16.442 6 HB2 SER 2 1HB SER 2 18.817 -0.242 -14.617 7 HB3 SER 2 2HB SER 2 19.825 -1.104 -13.454 8 HG SER 2 HG SER 2 21.172 0.488 -13.582 9 H SER 3 H SER 3 22.401 -1.504 -16.657 10 HA SER 3 HA SER 3 23.701 -3.404 -14.817 11 HB2 SER 3 1HB SER 3 23.462 -4.241 -17.152 12 HB3 SER 3 2HB SER 3 24.428 -2.874 -17.708 13 HG SER 3 HG SER 3 25.485 -4.456 -15.672 14 H GLY 4 H GLY 4 25.605 -2.837 -13.879 15 HA2 GLY 4 1HA GLY 4 27.467 -1.572 -13.359 16 HA3 GLY 4 2HA GLY 4 27.203 -0.651 -14.832 17 H SER 5 H SER 5 24.993 -1.125 -12.105 18 HA SER 5 HA SER 5 25.294 1.712 -11.414 19 HB2 SER 5 1HB SER 5 22.723 0.276 -12.070 20 HB3 SER 5 2HB SER 5 22.753 1.760 -11.118 21 HG SER 5 HG SER 5 22.819 2.750 -12.960 22 H SER 6 H SER 6 25.477 2.047 -9.296 23 HA SER 6 HA SER 6 25.224 -0.204 -7.491 24 HB2 SER 6 1HB SER 6 26.195 1.351 -5.814 25 HB3 SER 6 2HB SER 6 27.178 1.230 -7.273 26 HG SER 6 HG SER 6 25.764 3.375 -6.258 27 H GLY 7 H GLY 7 24.109 0.016 -5.404 28 HA2 GLY 7 1HA GLY 7 21.506 1.301 -5.805 29 HA3 GLY 7 2HA GLY 7 21.867 0.041 -4.635 30 H ALA 8 H ALA 8 21.593 3.395 -5.187 31 HA ALA 8 HA ALA 8 22.691 3.977 -2.516 32 HB1 ALA 8 1HB ALA 8 22.669 6.384 -3.390 33 HB2 ALA 8 2HB ALA 8 23.886 5.285 -4.039 34 HB3 ALA 8 3HB ALA 8 22.446 5.664 -4.984 35 H HIS 9 H HIS 9 20.169 2.847 -2.647 36 HA HIS 9 HA HIS 9 18.430 5.130 -1.974 37 HB2 HIS 9 1HB HIS 9 16.508 3.686 -2.610 38 HB3 HIS 9 2HB HIS 9 17.580 4.039 -3.961 39 HD1 HIS 9 1HD HIS 9 18.945 2.072 -4.939 40 HD2 HIS 9 2HD HIS 9 16.407 1.002 -1.828 41 HE1 HIS 9 1HE HIS 9 18.846 -0.440 -4.985 42 HE2 HIS 9 2HE HIS 9 17.238 -1.061 -3.148 43 H ASP 10 H ASP 10 16.983 4.855 -0.215 44 HA ASP 10 HA ASP 10 17.528 2.566 1.541 45 HB2 ASP 10 1HB ASP 10 17.877 5.470 2.163 46 HB3 ASP 10 2HB ASP 10 17.325 4.388 3.439 47 H ALA 11 H ALA 11 15.606 1.578 1.573 48 HA ALA 11 HA ALA 11 13.114 2.870 1.266 49 HB1 ALA 11 1HB ALA 11 13.524 0.180 2.546 50 HB2 ALA 11 2HB ALA 11 12.123 0.758 1.644 51 HB3 ALA 11 3HB ALA 11 13.643 0.442 0.806 52 H SER 12 H SER 12 15.107 2.217 4.031 53 HA SER 12 HA SER 12 13.161 2.365 6.055 54 HB2 SER 12 1HB SER 12 14.982 2.672 7.582 55 HB3 SER 12 2HB SER 12 15.551 1.584 6.316 56 HG SER 12 HG SER 12 16.163 4.308 6.718 57 H LYS 13 H LYS 13 14.198 4.709 3.899 58 HA LYS 13 HA LYS 13 13.620 6.937 5.711 59 HB2 LYS 13 1HB LYS 13 14.674 6.948 2.876 60 HB3 LYS 13 2HB LYS 13 14.467 8.368 3.893 61 HG2 LYS 13 1HG LYS 13 16.164 6.126 4.873 62 HG3 LYS 13 2HG LYS 13 16.803 7.221 3.644 63 HD2 LYS 13 1HD LYS 13 16.695 9.067 5.057 64 HD3 LYS 13 2HD LYS 13 15.525 8.297 6.132 65 HE2 LYS 13 1HE LYS 13 17.406 8.089 7.407 66 HE3 LYS 13 2HE LYS 13 17.513 6.591 6.484 67 HZ1 LYS 13 1HZ LYS 13 19.095 7.561 5.029 68 HZ2 LYS 13 2HZ LYS 13 19.611 7.896 6.604 69 HZ3 LYS 13 3HZ LYS 13 18.868 9.105 5.683 70 H VAL 14 H VAL 14 11.750 4.931 4.187 71 HA VAL 14 HA VAL 14 10.047 6.912 2.849 72 HB VAL 14 HB VAL 14 9.872 3.895 2.846 73 HG11 VAL 14 1HG1 VAL 14 7.922 5.872 2.214 74 HG12 VAL 14 2HG1 VAL 14 8.412 5.063 0.724 75 HG13 VAL 14 3HG1 VAL 14 7.801 4.118 2.083 76 HG21 VAL 14 1HG2 VAL 14 11.809 4.898 1.624 77 HG22 VAL 14 2HG2 VAL 14 10.697 3.986 0.603 78 HG23 VAL 14 3HG2 VAL 14 10.651 5.749 0.601 79 H ARG 15 H ARG 15 8.386 7.747 3.911 80 HA ARG 15 HA ARG 15 7.409 6.387 6.318 81 HB2 ARG 15 1HB ARG 15 7.516 9.217 5.411 82 HB3 ARG 15 2HB ARG 15 6.164 8.751 6.434 83 HG2 ARG 15 1HG ARG 15 8.977 8.103 7.220 84 HG3 ARG 15 2HG ARG 15 8.283 9.694 7.535 85 HD2 ARG 15 1HD ARG 15 6.569 8.766 8.898 86 HD3 ARG 15 2HD ARG 15 6.975 7.125 8.398 87 HE ARG 15 HE ARG 15 8.610 7.090 9.992 88 HH11 ARG 15 1HH1 ARG 15 7.688 10.394 9.395 89 HH12 ARG 15 2HH1 ARG 15 8.645 11.032 10.690 90 HH21 ARG 15 1HH2 ARG 15 9.874 7.918 11.701 91 HH22 ARG 15 2HH2 ARG 15 9.889 9.623 12.001 92 H ALA 16 H ALA 16 5.385 5.609 6.484 93 HA ALA 16 HA ALA 16 3.611 5.965 4.158 94 HB1 ALA 16 1HB ALA 16 3.030 3.718 5.943 95 HB2 ALA 16 2HB ALA 16 3.126 3.777 4.182 96 HB3 ALA 16 3HB ALA 16 4.598 3.624 5.141 97 H SER 17 H SER 17 1.741 6.979 4.463 98 HA SER 17 HA SER 17 0.341 6.828 6.991 99 HB2 SER 17 1HB SER 17 1.673 9.339 6.030 100 HB3 SER 17 2HB SER 17 0.166 9.441 6.941 101 HG SER 17 HG SER 17 2.627 8.305 7.763 102 H GLY 18 H GLY 18 -1.822 7.721 6.881 103 HA2 GLY 18 1HA GLY 18 -3.371 8.957 5.290 104 HA3 GLY 18 2HA GLY 18 -2.808 7.793 4.100 105 HA PRO 19 HA PRO 19 -6.683 6.227 6.222 106 HB2 PRO 19 1HB PRO 19 -8.148 5.940 3.954 107 HB3 PRO 19 2HB PRO 19 -8.102 7.442 4.885 108 HG2 PRO 19 1HG PRO 19 -6.603 6.706 2.400 109 HG3 PRO 19 2HG PRO 19 -7.414 8.230 2.808 110 HD2 PRO 19 1HD PRO 19 -4.735 7.901 3.027 111 HD3 PRO 19 2HD PRO 19 -5.659 8.960 4.112 112 H GLY 20 H GLY 20 -5.300 5.266 3.079 113 HA2 GLY 20 1HA GLY 20 -6.155 2.591 3.136 114 HA3 GLY 20 2HA GLY 20 -4.791 3.204 2.212 115 H LEU 21 H LEU 21 -3.608 4.174 4.844 116 HA LEU 21 HA LEU 21 -2.426 1.588 5.582 117 HB2 LEU 21 1HB LEU 21 -1.351 4.361 6.066 118 HB3 LEU 21 2HB LEU 21 -0.513 2.841 6.371 119 HG LEU 21 HG LEU 21 -1.317 3.851 3.643 120 HD11 LEU 21 1HD1 LEU 21 1.269 4.005 3.481 121 HD12 LEU 21 2HD1 LEU 21 1.195 4.114 5.239 122 HD13 LEU 21 3HD1 LEU 21 0.365 5.312 4.246 123 HD21 LEU 21 1HD2 LEU 21 -1.194 1.525 3.494 124 HD22 LEU 21 2HD2 LEU 21 0.159 1.429 4.620 125 HD23 LEU 21 3HD2 LEU 21 0.408 2.067 2.994 126 H ASN 22 H ASN 22 -4.966 2.601 6.629 127 HA ASN 22 HA ASN 22 -4.566 3.582 9.271 128 HB2 ASN 22 1HB ASN 22 -6.688 3.709 7.795 129 HB3 ASN 22 2HB ASN 22 -7.019 2.083 8.384 130 HD21 ASN 22 1HD2 ASN 22 -8.364 2.050 10.017 131 HD22 ASN 22 2HD2 ASN 22 -8.502 3.247 11.256 132 H ALA 23 H ALA 23 -3.904 2.506 11.001 133 HA ALA 23 HA ALA 23 -3.615 -0.368 10.916 134 HB1 ALA 23 1HB ALA 23 -2.115 1.565 12.039 135 HB2 ALA 23 2HB ALA 23 -3.060 1.052 13.437 136 HB3 ALA 23 3HB ALA 23 -2.085 -0.122 12.554 137 H SER 24 H SER 24 -5.816 1.941 12.255 138 HA SER 24 HA SER 24 -6.918 0.216 14.258 139 HB2 SER 24 1HB SER 24 -8.021 2.748 13.017 140 HB3 SER 24 2HB SER 24 -8.688 1.941 14.435 141 HG SER 24 HG SER 24 -6.849 2.426 15.568 142 H GLY 25 H GLY 25 -7.404 0.686 10.873 143 HA2 GLY 25 1HA GLY 25 -8.520 -1.325 9.850 144 HA3 GLY 25 2HA GLY 25 -9.821 -1.010 10.989 145 H ILE 26 H ILE 26 -9.425 -0.949 7.914 146 HA ILE 26 HA ILE 26 -10.603 1.717 7.482 147 HB ILE 26 HB ILE 26 -9.906 1.560 5.160 148 HG12 ILE 26 1HG1 ILE 26 -8.389 -0.958 5.784 149 HG13 ILE 26 2HG1 ILE 26 -10.060 -1.035 5.236 150 HG21 ILE 26 1HG2 ILE 26 -8.359 2.424 6.942 151 HG22 ILE 26 2HG2 ILE 26 -7.554 0.856 6.901 152 HG23 ILE 26 3HG2 ILE 26 -7.571 1.876 5.463 153 HD11 ILE 26 1HD1 ILE 26 -9.535 -0.425 3.127 154 HD12 ILE 26 2HD1 ILE 26 -8.207 0.618 3.638 155 HD13 ILE 26 3HD1 ILE 26 -7.984 -1.130 3.580 156 HA PRO 27 HA PRO 27 -14.431 -0.158 6.395 157 HB2 PRO 27 1HB PRO 27 -15.427 1.764 4.757 158 HB3 PRO 27 2HB PRO 27 -15.332 1.953 6.512 159 HG2 PRO 27 1HG PRO 27 -13.494 2.996 4.391 160 HG3 PRO 27 2HG PRO 27 -14.114 3.815 5.837 161 HD2 PRO 27 1HD PRO 27 -11.626 2.753 5.719 162 HD3 PRO 27 2HD PRO 27 -12.569 2.812 7.222 163 H ALA 28 H ALA 28 -14.304 -1.926 5.132 164 HA ALA 28 HA ALA 28 -13.055 -2.047 2.610 165 HB1 ALA 28 1HB ALA 28 -13.429 -4.005 4.059 166 HB2 ALA 28 2HB ALA 28 -15.158 -3.902 3.720 167 HB3 ALA 28 3HB ALA 28 -14.023 -4.255 2.417 168 H SER 29 H SER 29 -14.231 -2.762 0.590 169 HA SER 29 HA SER 29 -15.667 -2.313 -1.116 170 HB2 SER 29 1HB SER 29 -17.618 -1.769 1.135 171 HB3 SER 29 2HB SER 29 -18.054 -1.935 -0.565 172 HG SER 29 HG SER 29 -16.768 -4.065 -0.198 173 H LEU 30 H LEU 30 -13.920 -0.287 -0.317 174 HA LEU 30 HA LEU 30 -15.263 2.004 -1.437 175 HB2 LEU 30 1HB LEU 30 -15.831 2.279 0.900 176 HB3 LEU 30 2HB LEU 30 -14.139 2.098 1.358 177 HG LEU 30 HG LEU 30 -13.888 4.221 -0.227 178 HD11 LEU 30 1HD1 LEU 30 -16.458 4.995 1.000 179 HD12 LEU 30 2HD1 LEU 30 -16.546 3.962 -0.427 180 HD13 LEU 30 3HD1 LEU 30 -15.715 5.515 -0.512 181 HD21 LEU 30 1HD2 LEU 30 -14.831 5.286 2.216 182 HD22 LEU 30 2HD2 LEU 30 -13.164 4.984 1.725 183 HD23 LEU 30 3HD2 LEU 30 -14.074 3.733 2.574 184 HA PRO 31 HA PRO 31 -11.211 2.455 -3.124 185 HB2 PRO 31 1HB PRO 31 -11.501 4.951 -4.152 186 HB3 PRO 31 2HB PRO 31 -12.236 3.520 -4.884 187 HG2 PRO 31 1HG PRO 31 -13.470 5.576 -3.092 188 HG3 PRO 31 2HG PRO 31 -14.132 4.826 -4.556 189 HD2 PRO 31 1HD PRO 31 -14.841 4.035 -2.065 190 HD3 PRO 31 2HD PRO 31 -14.770 2.913 -3.439 191 H VAL 32 H VAL 32 -9.669 2.621 -1.577 192 HA VAL 32 HA VAL 32 -9.377 5.224 -0.222 193 HB VAL 32 HB VAL 32 -9.873 3.203 1.240 194 HG11 VAL 32 1HG1 VAL 32 -6.995 2.522 0.666 195 HG12 VAL 32 2HG1 VAL 32 -8.125 1.644 1.698 196 HG13 VAL 32 3HG1 VAL 32 -8.366 1.675 -0.049 197 HG21 VAL 32 1HG2 VAL 32 -8.051 5.367 1.575 198 HG22 VAL 32 2HG2 VAL 32 -9.055 4.571 2.787 199 HG23 VAL 32 3HG2 VAL 32 -7.433 3.967 2.451 200 H GLU 33 H GLU 33 -7.346 6.157 -0.104 201 HA GLU 33 HA GLU 33 -5.131 4.801 -1.453 202 HB2 GLU 33 1HB GLU 33 -4.618 6.925 -2.694 203 HB3 GLU 33 2HB GLU 33 -6.064 6.085 -3.236 204 HG2 GLU 33 1HG GLU 33 -7.484 7.679 -2.358 205 HG3 GLU 33 2HG GLU 33 -6.278 8.273 -1.218 206 H PHE 34 H PHE 34 -3.172 5.210 -0.576 207 HA PHE 34 HA PHE 34 -3.111 7.064 1.702 208 HB2 PHE 34 1HB PHE 34 -0.986 5.723 2.270 209 HB3 PHE 34 2HB PHE 34 -2.540 4.924 2.482 210 HD1 PHE 34 1HD PHE 34 -3.353 3.403 0.603 211 HD2 PHE 34 2HD PHE 34 0.662 4.776 0.934 212 HE1 PHE 34 1HE PHE 34 -2.608 1.567 -0.855 213 HE2 PHE 34 2HE PHE 34 1.413 2.943 -0.524 214 HZ PHE 34 HZ PHE 34 -0.223 1.335 -1.422 215 H THR 35 H THR 35 -0.539 7.583 2.081 216 HA THR 35 HA THR 35 0.559 8.581 -0.449 217 HB THR 35 HB THR 35 0.180 10.283 2.023 218 HG1 THR 35 1HG THR 35 -1.599 9.831 0.342 219 HG21 THR 35 1HG2 THR 35 2.291 10.495 0.412 220 HG22 THR 35 2HG2 THR 35 1.485 11.908 1.093 221 HG23 THR 35 3HG2 THR 35 1.132 11.402 -0.559 222 H ILE 36 H ILE 36 2.644 8.102 -0.629 223 HA ILE 36 HA ILE 36 4.121 7.330 1.785 224 HB ILE 36 HB ILE 36 4.848 6.838 -1.105 225 HG12 ILE 36 1HG1 ILE 36 2.767 5.668 -0.333 226 HG13 ILE 36 2HG1 ILE 36 4.071 4.582 -0.802 227 HG21 ILE 36 1HG2 ILE 36 6.443 6.772 1.160 228 HG22 ILE 36 2HG2 ILE 36 6.016 5.085 0.881 229 HG23 ILE 36 3HG2 ILE 36 6.794 6.020 -0.396 230 HD11 ILE 36 1HD1 ILE 36 4.309 3.761 1.278 231 HD12 ILE 36 2HD1 ILE 36 3.959 5.309 2.048 232 HD13 ILE 36 3HD1 ILE 36 2.640 4.308 1.442 233 H ASP 37 H ASP 37 4.885 9.230 2.608 234 HA ASP 37 HA ASP 37 6.218 11.144 0.878 235 HB2 ASP 37 1HB ASP 37 4.718 11.585 3.015 236 HB3 ASP 37 2HB ASP 37 6.254 11.382 3.855 237 H ALA 38 H ALA 38 8.072 10.144 0.158 238 HA ALA 38 HA ALA 38 10.108 9.637 2.224 239 HB1 ALA 38 1HB ALA 38 10.860 7.699 1.204 240 HB2 ALA 38 2HB ALA 38 9.109 7.571 1.026 241 HB3 ALA 38 3HB ALA 38 10.098 8.093 -0.338 242 H ARG 39 H ARG 39 11.709 11.049 2.043 243 HA ARG 39 HA ARG 39 12.182 12.378 -0.513 244 HB2 ARG 39 1HB ARG 39 13.364 12.954 2.210 245 HB3 ARG 39 2HB ARG 39 13.543 13.949 0.771 246 HG2 ARG 39 1HG ARG 39 11.859 15.093 1.742 247 HG3 ARG 39 2HG ARG 39 10.880 13.888 0.902 248 HD2 ARG 39 1HD ARG 39 10.100 14.040 3.159 249 HD3 ARG 39 2HD ARG 39 10.938 12.500 2.970 250 HE ARG 39 HE ARG 39 12.539 13.216 4.455 251 HH11 ARG 39 1HH1 ARG 39 10.542 15.903 3.499 252 HH12 ARG 39 2HH1 ARG 39 11.188 16.977 4.694 253 HH21 ARG 39 1HH2 ARG 39 13.398 14.622 6.033 254 HH22 ARG 39 2HH2 ARG 39 12.814 16.248 6.134 255 H ASP 40 H ASP 40 14.163 10.890 2.056 256 HA ASP 40 HA ASP 40 16.368 10.546 0.201 257 HB2 ASP 40 1HB ASP 40 16.437 11.151 2.771 258 HB3 ASP 40 2HB ASP 40 16.387 9.400 2.962 259 H ALA 41 H ALA 41 13.805 9.063 -0.120 260 HA ALA 41 HA ALA 41 14.114 6.364 0.599 261 HB1 ALA 41 1HB ALA 41 12.223 5.965 -0.620 262 HB2 ALA 41 2HB ALA 41 12.076 7.709 -0.399 263 HB3 ALA 41 3HB ALA 41 12.694 7.062 -1.919 264 H GLY 42 H GLY 42 15.512 8.254 -1.952 265 HA2 GLY 42 1HA GLY 42 17.623 7.301 -2.837 266 HA3 GLY 42 2HA GLY 42 16.740 5.795 -3.040 267 H GLU 43 H GLU 43 17.804 6.283 -5.251 268 HA GLU 43 HA GLU 43 15.955 7.909 -6.867 269 HB2 GLU 43 1HB GLU 43 18.256 8.707 -6.972 270 HB3 GLU 43 2HB GLU 43 18.813 7.105 -7.434 271 HG2 GLU 43 1HG GLU 43 17.756 7.244 -9.546 272 HG3 GLU 43 2HG GLU 43 16.865 8.692 -9.078 273 H GLY 44 H GLY 44 14.552 5.943 -6.695 274 HA2 GLY 44 1HA GLY 44 15.123 4.192 -8.981 275 HA3 GLY 44 2HA GLY 44 14.753 3.448 -7.432 276 H LEU 45 H LEU 45 12.875 2.455 -8.129 277 HA LEU 45 HA LEU 45 10.640 4.289 -8.690 278 HB2 LEU 45 1HB LEU 45 9.748 2.873 -10.291 279 HB3 LEU 45 2HB LEU 45 11.477 2.825 -10.624 280 HG LEU 45 HG LEU 45 11.328 0.683 -9.056 281 HD11 LEU 45 1HD1 LEU 45 8.624 0.729 -10.381 282 HD12 LEU 45 2HD1 LEU 45 8.898 1.026 -8.665 283 HD13 LEU 45 3HD1 LEU 45 9.295 -0.544 -9.362 284 HD21 LEU 45 1HD2 LEU 45 12.180 0.028 -11.012 285 HD22 LEU 45 2HD2 LEU 45 11.192 1.169 -11.924 286 HD23 LEU 45 3HD2 LEU 45 10.527 -0.396 -11.456 287 H LEU 46 H LEU 46 9.014 4.173 -7.290 288 HA LEU 46 HA LEU 46 9.081 2.280 -5.139 289 HB2 LEU 46 1HB LEU 46 8.363 4.457 -4.591 290 HB3 LEU 46 2HB LEU 46 7.200 4.489 -5.916 291 HG LEU 46 HG LEU 46 6.119 2.505 -4.534 292 HD11 LEU 46 1HD1 LEU 46 6.595 3.843 -2.089 293 HD12 LEU 46 2HD1 LEU 46 8.162 3.441 -2.791 294 HD13 LEU 46 3HD1 LEU 46 6.968 2.173 -2.517 295 HD21 LEU 46 1HD2 LEU 46 5.832 5.442 -4.420 296 HD22 LEU 46 2HD2 LEU 46 5.018 4.525 -3.153 297 HD23 LEU 46 3HD2 LEU 46 4.656 4.200 -4.849 298 H THR 47 H THR 47 7.814 0.527 -4.784 299 HA THR 47 HA THR 47 5.832 -0.153 -6.856 300 HB THR 47 HB THR 47 6.460 -2.489 -6.718 301 HG1 THR 47 1HG THR 47 8.004 -1.558 -4.581 302 HG21 THR 47 1HG2 THR 47 7.676 -1.356 -8.392 303 HG22 THR 47 2HG2 THR 47 8.876 -2.301 -7.511 304 HG23 THR 47 3HG2 THR 47 8.723 -0.570 -7.212 305 H VAL 48 H VAL 48 3.948 -1.120 -6.185 306 HA VAL 48 HA VAL 48 3.630 -1.635 -3.310 307 HB VAL 48 HB VAL 48 1.734 -0.001 -5.002 308 HG11 VAL 48 1HG1 VAL 48 1.181 -0.127 -2.156 309 HG12 VAL 48 2HG1 VAL 48 0.100 -0.369 -3.529 310 HG13 VAL 48 3HG1 VAL 48 1.077 -1.708 -2.928 311 HG21 VAL 48 1HG2 VAL 48 2.445 1.865 -3.904 312 HG22 VAL 48 2HG2 VAL 48 2.897 0.975 -2.450 313 HG23 VAL 48 3HG2 VAL 48 3.943 0.935 -3.868 314 H GLN 49 H GLN 49 2.441 -3.398 -2.822 315 HA GLN 49 HA GLN 49 0.790 -4.620 -4.909 316 HB2 GLN 49 1HB GLN 49 2.917 -5.755 -5.096 317 HB3 GLN 49 2HB GLN 49 2.964 -6.034 -3.360 318 HG2 GLN 49 1HG GLN 49 1.298 -7.656 -3.451 319 HG3 GLN 49 2HG GLN 49 0.743 -7.130 -5.039 320 HE21 GLN 49 1HE2 GLN 49 3.106 -8.962 -3.286 321 HE22 GLN 49 2HE2 GLN 49 3.783 -9.782 -4.647 322 H ILE 50 H ILE 50 -1.051 -5.541 -4.176 323 HA ILE 50 HA ILE 50 -1.380 -5.774 -1.256 324 HB ILE 50 HB ILE 50 -3.568 -4.957 -3.163 325 HG12 ILE 50 1HG1 ILE 50 -2.076 -3.150 -1.259 326 HG13 ILE 50 2HG1 ILE 50 -1.671 -3.285 -2.966 327 HG21 ILE 50 1HG2 ILE 50 -4.401 -6.007 -1.171 328 HG22 ILE 50 2HG2 ILE 50 -3.368 -5.001 -0.158 329 HG23 ILE 50 3HG2 ILE 50 -4.697 -4.272 -1.058 330 HD11 ILE 50 1HD1 ILE 50 -4.469 -2.807 -2.706 331 HD12 ILE 50 2HD1 ILE 50 -3.578 -1.616 -1.758 332 HD13 ILE 50 3HD1 ILE 50 -3.233 -1.813 -3.476 333 H LEU 51 H LEU 51 -2.147 -7.662 -0.530 334 HA LEU 51 HA LEU 51 -3.178 -9.578 -2.516 335 HB2 LEU 51 1HB LEU 51 -1.711 -10.120 0.062 336 HB3 LEU 51 2HB LEU 51 -2.344 -11.349 -1.032 337 HG LEU 51 HG LEU 51 -0.028 -9.481 -1.470 338 HD11 LEU 51 1HD1 LEU 51 0.921 -11.835 -2.116 339 HD12 LEU 51 2HD1 LEU 51 -0.410 -12.414 -1.116 340 HD13 LEU 51 3HD1 LEU 51 0.809 -11.342 -0.427 341 HD21 LEU 51 1HD2 LEU 51 0.123 -10.317 -3.740 342 HD22 LEU 51 2HD2 LEU 51 -1.426 -9.510 -3.494 343 HD23 LEU 51 3HD2 LEU 51 -1.341 -11.273 -3.512 344 H ASP 52 H ASP 52 -5.301 -9.811 -2.352 345 HA ASP 52 HA ASP 52 -7.015 -8.933 -0.451 346 HB2 ASP 52 1HB ASP 52 -8.330 -11.185 -1.131 347 HB3 ASP 52 2HB ASP 52 -8.216 -9.779 -2.187 348 HA PRO 53 HA PRO 53 -6.697 -11.274 3.243 349 HB2 PRO 53 1HB PRO 53 -9.289 -11.691 3.935 350 HB3 PRO 53 2HB PRO 53 -8.508 -10.108 4.043 351 HG2 PRO 53 1HG PRO 53 -10.311 -11.189 1.912 352 HG3 PRO 53 2HG PRO 53 -10.302 -9.582 2.660 353 HD2 PRO 53 1HD PRO 53 -9.203 -10.065 0.233 354 HD3 PRO 53 2HD PRO 53 -8.558 -8.842 1.347 355 H GLU 54 H GLU 54 -7.525 -12.709 0.447 356 HA GLU 54 HA GLU 54 -8.164 -15.303 1.673 357 HB2 GLU 54 1HB GLU 54 -8.505 -14.307 -1.157 358 HB3 GLU 54 2HB GLU 54 -8.772 -15.975 -0.673 359 HG2 GLU 54 1HG GLU 54 -10.329 -13.535 0.095 360 HG3 GLU 54 2HG GLU 54 -10.894 -14.999 -0.710 361 H GLY 55 H GLY 55 -5.863 -13.604 -0.343 362 HA2 GLY 55 1HA GLY 55 -3.533 -14.401 -0.107 363 HA3 GLY 55 2HA GLY 55 -4.167 -16.025 -0.324 364 H LYS 56 H LYS 56 -5.104 -13.152 -2.143 365 HA LYS 56 HA LYS 56 -3.755 -14.261 -4.509 366 HB2 LYS 56 1HB LYS 56 -6.482 -12.992 -4.649 367 HB3 LYS 56 2HB LYS 56 -5.655 -13.932 -5.884 368 HG2 LYS 56 1HG LYS 56 -6.435 -15.155 -3.263 369 HG3 LYS 56 2HG LYS 56 -7.578 -15.032 -4.603 370 HD2 LYS 56 1HD LYS 56 -6.389 -16.504 -5.926 371 HD3 LYS 56 2HD LYS 56 -4.869 -16.197 -5.082 372 HE2 LYS 56 1HE LYS 56 -5.417 -18.303 -4.316 373 HE3 LYS 56 2HE LYS 56 -6.094 -17.275 -3.054 374 HZ1 LYS 56 1HZ LYS 56 -7.672 -18.960 -3.681 375 HZ2 LYS 56 2HZ LYS 56 -7.588 -18.504 -5.307 376 HZ3 LYS 56 3HZ LYS 56 -8.257 -17.449 -4.166 377 HA PRO 57 HA PRO 57 -2.235 -10.197 -5.188 378 HB2 PRO 57 1HB PRO 57 -2.019 -10.180 -7.894 379 HB3 PRO 57 2HB PRO 57 -0.929 -11.099 -6.849 380 HG2 PRO 57 1HG PRO 57 -3.313 -12.041 -8.394 381 HG3 PRO 57 2HG PRO 57 -1.726 -12.810 -8.207 382 HD2 PRO 57 1HD PRO 57 -3.897 -13.586 -6.786 383 HD3 PRO 57 2HD PRO 57 -2.248 -13.672 -6.134 384 H LYS 58 H LYS 58 -3.090 -8.210 -5.342 385 HA LYS 58 HA LYS 58 -5.713 -7.941 -6.646 386 HB2 LYS 58 1HB LYS 58 -4.415 -6.334 -4.441 387 HB3 LYS 58 2HB LYS 58 -5.929 -5.884 -5.215 388 HG2 LYS 58 1HG LYS 58 -5.457 -8.468 -3.745 389 HG3 LYS 58 2HG LYS 58 -6.237 -7.040 -3.060 390 HD2 LYS 58 1HD LYS 58 -7.205 -8.573 -5.474 391 HD3 LYS 58 2HD LYS 58 -7.867 -8.712 -3.844 392 HE2 LYS 58 1HE LYS 58 -8.392 -6.280 -3.921 393 HE3 LYS 58 2HE LYS 58 -7.865 -6.262 -5.603 394 HZ1 LYS 58 1HZ LYS 58 -10.111 -6.563 -5.822 395 HZ2 LYS 58 2HZ LYS 58 -10.252 -7.498 -4.419 396 HZ3 LYS 58 3HZ LYS 58 -9.590 -8.173 -5.822 397 H LYS 59 H LYS 59 -6.018 -5.386 -7.139 398 HA LYS 59 HA LYS 59 -3.738 -4.637 -8.850 399 HB2 LYS 59 1HB LYS 59 -5.954 -5.414 -9.943 400 HB3 LYS 59 2HB LYS 59 -6.580 -3.852 -9.433 401 HG2 LYS 59 1HG LYS 59 -4.964 -2.696 -10.766 402 HG3 LYS 59 2HG LYS 59 -4.136 -4.206 -11.153 403 HD2 LYS 59 1HD LYS 59 -5.419 -3.789 -13.053 404 HD3 LYS 59 2HD LYS 59 -6.399 -4.942 -12.143 405 HE2 LYS 59 1HE LYS 59 -7.453 -2.774 -11.122 406 HE3 LYS 59 2HE LYS 59 -6.814 -2.017 -12.580 407 HZ1 LYS 59 1HZ LYS 59 -9.206 -3.112 -12.483 408 HZ2 LYS 59 2HZ LYS 59 -8.326 -4.488 -12.922 409 HZ3 LYS 59 3HZ LYS 59 -8.276 -3.106 -13.897 410 H ALA 60 H ALA 60 -2.748 -2.873 -8.148 411 HA ALA 60 HA ALA 60 -4.374 -0.730 -6.945 412 HB1 ALA 60 1HB ALA 60 -3.085 -0.607 -5.120 413 HB2 ALA 60 2HB ALA 60 -2.566 -2.235 -5.558 414 HB3 ALA 60 3HB ALA 60 -1.597 -0.842 -6.037 415 H ASN 61 H ASN 61 -3.432 1.428 -7.126 416 HA ASN 61 HA ASN 61 -1.824 1.695 -9.580 417 HB2 ASN 61 1HB ASN 61 -3.774 3.694 -8.415 418 HB3 ASN 61 2HB ASN 61 -2.919 3.836 -9.948 419 HD21 ASN 61 1HD2 ASN 61 -5.089 1.629 -8.221 420 HD22 ASN 61 2HD2 ASN 61 -6.023 1.190 -9.607 421 H ILE 62 H ILE 62 -0.244 3.353 -9.675 422 HA ILE 62 HA ILE 62 0.539 4.513 -7.091 423 HB ILE 62 HB ILE 62 2.489 3.255 -9.022 424 HG12 ILE 62 1HG1 ILE 62 2.011 2.197 -6.271 425 HG13 ILE 62 2HG1 ILE 62 0.860 1.783 -7.536 426 HG21 ILE 62 1HG2 ILE 62 3.065 5.267 -7.427 427 HG22 ILE 62 2HG2 ILE 62 3.149 3.989 -6.216 428 HG23 ILE 62 3HG2 ILE 62 4.187 3.923 -7.640 429 HD11 ILE 62 1HD1 ILE 62 3.157 1.211 -8.798 430 HD12 ILE 62 2HD1 ILE 62 3.630 0.892 -7.129 431 HD13 ILE 62 3HD1 ILE 62 2.251 0.048 -7.832 432 H ARG 63 H ARG 63 1.136 6.597 -7.181 433 HA ARG 63 HA ARG 63 1.573 7.781 -9.845 434 HB2 ARG 63 1HB ARG 63 -0.585 8.461 -8.891 435 HB3 ARG 63 2HB ARG 63 0.233 9.043 -7.447 436 HG2 ARG 63 1HG ARG 63 1.182 10.852 -8.564 437 HG3 ARG 63 2HG ARG 63 0.915 10.128 -10.151 438 HD2 ARG 63 1HD ARG 63 -1.364 10.884 -8.348 439 HD3 ARG 63 2HD ARG 63 -0.620 12.049 -9.443 440 HE ARG 63 HE ARG 63 -1.357 9.660 -10.802 441 HH11 ARG 63 1HH1 ARG 63 -2.628 12.625 -9.491 442 HH12 ARG 63 2HH1 ARG 63 -3.976 12.680 -10.578 443 HH21 ARG 63 1HH2 ARG 63 -3.127 9.723 -12.239 444 HH22 ARG 63 2HH2 ARG 63 -4.259 11.029 -12.140 445 H ASP 64 H ASP 64 3.065 9.503 -9.994 446 HA ASP 64 HA ASP 64 5.028 9.542 -7.801 447 HB2 ASP 64 1HB ASP 64 5.367 10.021 -10.766 448 HB3 ASP 64 2HB ASP 64 6.635 10.313 -9.579 449 H ASN 65 H ASN 65 5.040 11.320 -6.611 450 HA ASN 65 HA ASN 65 3.761 13.737 -7.542 451 HB2 ASN 65 1HB ASN 65 4.827 12.736 -4.950 452 HB3 ASN 65 2HB ASN 65 4.752 14.482 -5.171 453 HD21 ASN 65 1HD2 ASN 65 3.007 11.627 -4.544 454 HD22 ASN 65 2HD2 ASN 65 1.434 12.334 -4.440 455 H GLY 66 H GLY 66 7.029 12.621 -6.830 456 HA2 GLY 66 1HA GLY 66 8.990 13.424 -7.826 457 HA3 GLY 66 2HA GLY 66 8.094 14.815 -8.416 458 H ASP 67 H ASP 67 6.998 15.196 -5.621 459 HA ASP 67 HA ASP 67 9.171 16.882 -4.704 460 HB2 ASP 67 1HB ASP 67 6.950 17.841 -4.714 461 HB3 ASP 67 2HB ASP 67 6.335 16.525 -3.717 462 H GLY 68 H GLY 68 9.479 13.986 -4.511 463 HA2 GLY 68 1HA GLY 68 10.564 12.613 -2.997 464 HA3 GLY 68 2HA GLY 68 10.400 13.880 -1.790 465 H THR 69 H THR 69 7.647 12.647 -3.539 466 HA THR 69 HA THR 69 6.887 10.892 -1.341 467 HB THR 69 HB THR 69 4.746 11.933 -0.954 468 HG1 THR 69 1HG THR 69 4.461 14.098 -2.010 469 HG21 THR 69 1HG2 THR 69 6.618 14.265 -0.868 470 HG22 THR 69 2HG2 THR 69 6.952 12.836 0.110 471 HG23 THR 69 3HG2 THR 69 5.446 13.726 0.332 472 H TYR 70 H TYR 70 4.607 9.946 -1.857 473 HA TYR 70 HA TYR 70 4.070 9.708 -4.701 474 HB2 TYR 70 1HB TYR 70 4.752 7.263 -3.057 475 HB3 TYR 70 2HB TYR 70 4.286 7.288 -4.754 476 HD1 TYR 70 1HD TYR 70 6.924 8.439 -2.401 477 HD2 TYR 70 2HD TYR 70 5.909 7.515 -6.428 478 HE1 TYR 70 1HE TYR 70 9.290 8.651 -3.040 479 HE2 TYR 70 2HE TYR 70 8.272 7.723 -7.078 480 HH TYR 70 HH TYR 70 10.775 8.502 -4.679 481 H THR 71 H THR 71 2.101 8.438 -5.130 482 HA THR 71 HA THR 71 0.301 8.297 -2.806 483 HB THR 71 HB THR 71 -0.384 9.466 -5.510 484 HG1 THR 71 1HG THR 71 -0.602 10.773 -3.012 485 HG21 THR 71 1HG2 THR 71 -2.431 8.648 -5.014 486 HG22 THR 71 2HG2 THR 71 -2.499 10.024 -3.913 487 HG23 THR 71 3HG2 THR 71 -2.044 8.432 -3.308 488 H VAL 72 H VAL 72 -1.083 6.589 -2.753 489 HA VAL 72 HA VAL 72 -1.223 4.843 -5.112 490 HB VAL 72 HB VAL 72 -0.614 3.934 -2.297 491 HG11 VAL 72 1HG1 VAL 72 -0.427 1.700 -3.797 492 HG12 VAL 72 2HG1 VAL 72 -1.871 2.159 -2.892 493 HG13 VAL 72 3HG1 VAL 72 -1.756 2.522 -4.615 494 HG21 VAL 72 1HG2 VAL 72 1.507 3.442 -2.988 495 HG22 VAL 72 2HG2 VAL 72 1.023 3.197 -4.667 496 HG23 VAL 72 3HG2 VAL 72 1.179 4.832 -4.024 497 H SER 73 H SER 73 -3.178 3.928 -5.478 498 HA SER 73 HA SER 73 -5.251 4.258 -3.414 499 HB2 SER 73 1HB SER 73 -6.850 4.974 -5.050 500 HB3 SER 73 2HB SER 73 -5.413 5.974 -5.261 501 HG SER 73 HG SER 73 -6.511 4.060 -6.936 502 H TYR 74 H TYR 74 -6.791 2.647 -3.274 503 HA TYR 74 HA TYR 74 -6.890 0.500 -5.190 504 HB2 TYR 74 1HB TYR 74 -6.178 -1.274 -3.714 505 HB3 TYR 74 2HB TYR 74 -4.892 -0.076 -3.813 506 HD1 TYR 74 1HD TYR 74 -4.851 1.713 -1.918 507 HD2 TYR 74 2HD TYR 74 -6.903 -2.003 -1.633 508 HE1 TYR 74 1HE TYR 74 -4.824 1.893 0.535 509 HE2 TYR 74 2HE TYR 74 -6.883 -1.833 0.821 510 HH TYR 74 HH TYR 74 -5.337 -0.593 2.566 511 H LEU 75 H LEU 75 -8.570 -1.064 -4.696 512 HA LEU 75 HA LEU 75 -10.538 -0.059 -2.748 513 HB2 LEU 75 1HB LEU 75 -11.307 0.507 -4.947 514 HB3 LEU 75 2HB LEU 75 -11.005 -1.131 -5.523 515 HG LEU 75 HG LEU 75 -12.785 -1.748 -3.680 516 HD11 LEU 75 1HD1 LEU 75 -13.654 0.024 -2.657 517 HD12 LEU 75 2HD1 LEU 75 -14.450 0.405 -4.184 518 HD13 LEU 75 3HD1 LEU 75 -12.898 1.143 -3.792 519 HD21 LEU 75 1HD2 LEU 75 -14.136 -2.185 -5.419 520 HD22 LEU 75 2HD2 LEU 75 -12.779 -1.612 -6.389 521 HD23 LEU 75 3HD2 LEU 75 -14.106 -0.518 -5.995 522 HA PRO 76 HA PRO 76 -9.724 -4.329 -1.436 523 HB2 PRO 76 1HB PRO 76 -10.589 -3.929 1.106 524 HB3 PRO 76 2HB PRO 76 -8.965 -3.489 0.563 525 HG2 PRO 76 1HG PRO 76 -11.382 -1.756 0.903 526 HG3 PRO 76 2HG PRO 76 -9.699 -1.430 1.355 527 HD2 PRO 76 1HD PRO 76 -10.826 -0.419 -0.890 528 HD3 PRO 76 2HD PRO 76 -9.104 -0.840 -0.792 529 H ASP 77 H ASP 77 -11.501 -4.917 -2.900 530 HA ASP 77 HA ASP 77 -14.201 -4.647 -2.404 531 HB2 ASP 77 1HB ASP 77 -14.539 -6.586 -3.819 532 HB3 ASP 77 2HB ASP 77 -13.218 -5.618 -4.469 533 H MET 78 H MET 78 -12.059 -7.276 -1.320 534 HA MET 78 HA MET 78 -14.164 -8.369 0.354 535 HB2 MET 78 1HB MET 78 -11.301 -9.228 -0.093 536 HB3 MET 78 2HB MET 78 -12.445 -10.083 0.934 537 HG2 MET 78 1HG MET 78 -12.974 -9.560 -1.972 538 HG3 MET 78 2HG MET 78 -12.099 -10.980 -1.406 539 HE1 MET 78 1HE MET 78 -13.409 -12.566 -2.399 540 HE2 MET 78 2HE MET 78 -14.982 -13.148 -1.856 541 HE3 MET 78 3HE MET 78 -14.885 -11.840 -3.035 542 H SER 79 H SER 79 -13.766 -8.827 2.648 543 HA SER 79 HA SER 79 -12.321 -6.597 3.909 544 HB2 SER 79 1HB SER 79 -14.494 -8.313 5.127 545 HB3 SER 79 2HB SER 79 -13.820 -6.824 5.788 546 HG SER 79 HG SER 79 -15.510 -7.172 3.560 547 H GLY 80 H GLY 80 -10.934 -6.953 5.639 548 HA2 GLY 80 1HA GLY 80 -10.357 -8.888 7.288 549 HA3 GLY 80 2HA GLY 80 -9.900 -9.696 5.796 550 H ARG 81 H ARG 81 -7.821 -9.778 7.065 551 HA ARG 81 HA ARG 81 -6.321 -7.336 7.293 552 HB2 ARG 81 1HB ARG 81 -6.105 -9.474 8.728 553 HB3 ARG 81 2HB ARG 81 -5.141 -10.099 7.396 554 HG2 ARG 81 1HG ARG 81 -3.699 -8.037 7.645 555 HG3 ARG 81 2HG ARG 81 -4.559 -7.738 9.157 556 HD2 ARG 81 1HD ARG 81 -3.391 -10.436 8.694 557 HD3 ARG 81 2HD ARG 81 -2.303 -9.108 9.096 558 HE ARG 81 HE ARG 81 -4.296 -8.975 10.966 559 HH11 ARG 81 1HH1 ARG 81 -2.024 -11.398 9.924 560 HH12 ARG 81 2HH1 ARG 81 -1.924 -12.160 11.477 561 HH21 ARG 81 1HH2 ARG 81 -4.173 -9.968 13.015 562 HH22 ARG 81 2HH2 ARG 81 -3.148 -11.346 13.234 563 H TYR 82 H TYR 82 -5.802 -6.350 5.431 564 HA TYR 82 HA TYR 82 -5.062 -7.863 3.081 565 HB2 TYR 82 1HB TYR 82 -5.556 -4.985 3.701 566 HB3 TYR 82 2HB TYR 82 -4.586 -5.379 2.286 567 HD1 TYR 82 1HD TYR 82 -5.578 -6.498 0.368 568 HD2 TYR 82 2HD TYR 82 -7.920 -5.530 3.785 569 HE1 TYR 82 1HE TYR 82 -7.628 -6.893 -0.933 570 HE2 TYR 82 2HE TYR 82 -9.977 -5.924 2.495 571 HH TYR 82 HH TYR 82 -9.858 -7.123 -0.830 572 H THR 83 H THR 83 -3.055 -8.060 2.201 573 HA THR 83 HA THR 83 -0.812 -7.246 3.910 574 HB THR 83 HB THR 83 -0.765 -9.247 1.646 575 HG1 THR 83 1HG THR 83 -1.836 -9.469 4.098 576 HG21 THR 83 1HG2 THR 83 1.142 -9.109 3.955 577 HG22 THR 83 2HG2 THR 83 1.375 -8.087 2.536 578 HG23 THR 83 3HG2 THR 83 1.366 -9.842 2.367 579 H ILE 84 H ILE 84 -0.072 -5.298 3.316 580 HA ILE 84 HA ILE 84 0.149 -4.663 0.462 581 HB ILE 84 HB ILE 84 0.503 -2.835 2.841 582 HG12 ILE 84 1HG1 ILE 84 -1.832 -2.988 0.929 583 HG13 ILE 84 2HG1 ILE 84 -1.818 -3.770 2.505 584 HG21 ILE 84 1HG2 ILE 84 0.855 -1.100 1.404 585 HG22 ILE 84 2HG2 ILE 84 1.577 -2.404 0.464 586 HG23 ILE 84 3HG2 ILE 84 -0.056 -1.852 0.095 587 HD11 ILE 84 1HD1 ILE 84 -1.826 -0.847 1.864 588 HD12 ILE 84 2HD1 ILE 84 -2.961 -1.773 2.846 589 HD13 ILE 84 3HD1 ILE 84 -1.335 -1.448 3.448 590 H THR 85 H THR 85 2.015 -5.284 -0.410 591 HA THR 85 HA THR 85 4.470 -5.147 1.187 592 HB THR 85 HB THR 85 4.130 -6.408 -1.536 593 HG1 THR 85 1HG THR 85 2.856 -7.645 -0.264 594 HG21 THR 85 1HG2 THR 85 6.439 -5.857 -0.857 595 HG22 THR 85 2HG2 THR 85 6.174 -7.596 -0.976 596 HG23 THR 85 3HG2 THR 85 6.220 -6.817 0.605 597 H ILE 86 H ILE 86 5.394 -3.194 1.070 598 HA ILE 86 HA ILE 86 5.531 -1.862 -1.550 599 HB ILE 86 HB ILE 86 5.910 -0.671 1.200 600 HG12 ILE 86 1HG1 ILE 86 3.662 -0.161 -0.748 601 HG13 ILE 86 2HG1 ILE 86 3.561 -1.383 0.516 602 HG21 ILE 86 1HG2 ILE 86 5.640 1.478 -0.247 603 HG22 ILE 86 2HG2 ILE 86 7.206 0.676 -0.149 604 HG23 ILE 86 3HG2 ILE 86 6.179 0.432 -1.561 605 HD11 ILE 86 1HD1 ILE 86 3.957 1.571 0.929 606 HD12 ILE 86 2HD1 ILE 86 2.472 0.661 1.207 607 HD13 ILE 86 3HD1 ILE 86 3.893 0.355 2.205 608 H LYS 87 H LYS 87 7.409 -1.898 -2.576 609 HA LYS 87 HA LYS 87 9.885 -2.086 -0.992 610 HB2 LYS 87 1HB LYS 87 9.176 -3.544 -3.539 611 HB3 LYS 87 2HB LYS 87 10.820 -3.421 -2.927 612 HG2 LYS 87 1HG LYS 87 9.789 -4.404 -0.748 613 HG3 LYS 87 2HG LYS 87 8.497 -4.933 -1.828 614 HD2 LYS 87 1HD LYS 87 10.288 -5.966 -3.273 615 HD3 LYS 87 2HD LYS 87 11.424 -5.631 -1.965 616 HE2 LYS 87 1HE LYS 87 10.806 -7.794 -1.484 617 HE3 LYS 87 2HE LYS 87 9.661 -6.882 -0.502 618 HZ1 LYS 87 1HZ LYS 87 8.132 -8.121 -1.524 619 HZ2 LYS 87 2HZ LYS 87 9.180 -8.592 -2.766 620 HZ3 LYS 87 3HZ LYS 87 8.370 -7.109 -2.860 621 H TYR 88 H TYR 88 11.525 -0.755 -1.570 622 HA TYR 88 HA TYR 88 11.006 1.069 -3.821 623 HB2 TYR 88 1HB TYR 88 11.168 1.971 -1.423 624 HB3 TYR 88 2HB TYR 88 12.889 1.622 -1.535 625 HD1 TYR 88 1HD TYR 88 10.151 3.694 -2.869 626 HD2 TYR 88 2HD TYR 88 14.349 3.001 -2.843 627 HE1 TYR 88 1HE TYR 88 10.510 5.864 -3.971 628 HE2 TYR 88 2HE TYR 88 14.720 5.169 -3.944 629 HH TYR 88 HH TYR 88 13.399 7.411 -4.086 630 H GLY 89 H GLY 89 12.354 1.067 -5.503 631 HA2 GLY 89 1HA GLY 89 14.009 0.173 -6.870 632 HA3 GLY 89 2HA GLY 89 15.021 0.994 -5.691 633 H GLY 90 H GLY 90 13.017 -1.845 -5.080 634 HA2 GLY 90 1HA GLY 90 13.641 -4.071 -4.793 635 HA3 GLY 90 2HA GLY 90 15.295 -3.633 -5.196 636 H ASP 91 H ASP 91 13.350 -2.074 -2.717 637 HA ASP 91 HA ASP 91 14.839 -3.467 -0.620 638 HB2 ASP 91 1HB ASP 91 15.036 -0.572 -1.282 639 HB3 ASP 91 2HB ASP 91 14.990 -1.012 0.423 640 H GLU 92 H GLU 92 13.182 -4.379 0.434 641 HA GLU 92 HA GLU 92 10.604 -3.219 0.665 642 HB2 GLU 92 1HB GLU 92 11.168 -5.683 0.790 643 HB3 GLU 92 2HB GLU 92 11.756 -5.387 2.420 644 HG2 GLU 92 1HG GLU 92 9.458 -4.448 2.925 645 HG3 GLU 92 2HG GLU 92 8.952 -5.140 1.385 646 H ILE 93 H ILE 93 9.905 -1.704 2.010 647 HA ILE 93 HA ILE 93 11.520 -0.347 3.824 648 HB ILE 93 HB ILE 93 9.342 0.530 4.778 649 HG12 ILE 93 1HG1 ILE 93 8.161 -1.120 2.534 650 HG13 ILE 93 2HG1 ILE 93 8.008 -1.501 4.245 651 HG21 ILE 93 1HG2 ILE 93 8.901 1.906 2.876 652 HG22 ILE 93 2HG2 ILE 93 10.629 1.563 2.906 653 HG23 ILE 93 3HG2 ILE 93 9.579 0.702 1.781 654 HD11 ILE 93 1HD1 ILE 93 6.021 -0.395 3.278 655 HD12 ILE 93 2HD1 ILE 93 6.733 0.489 4.629 656 HD13 ILE 93 3HD1 ILE 93 7.009 1.034 2.974 657 HA PRO 94 HA PRO 94 11.574 -2.745 7.503 658 HB2 PRO 94 1HB PRO 94 11.675 -0.791 9.385 659 HB3 PRO 94 2HB PRO 94 13.045 -1.193 8.343 660 HG2 PRO 94 1HG PRO 94 11.055 1.028 8.083 661 HG3 PRO 94 2HG PRO 94 12.812 1.069 7.853 662 HD2 PRO 94 1HD PRO 94 11.075 0.941 5.780 663 HD3 PRO 94 2HD PRO 94 12.681 0.187 5.728 664 H TYR 95 H TYR 95 8.912 -1.079 6.532 665 HA TYR 95 HA TYR 95 7.384 -1.720 8.965 666 HB2 TYR 95 1HB TYR 95 6.529 0.103 6.712 667 HB3 TYR 95 2HB TYR 95 5.761 -0.084 8.285 668 HD1 TYR 95 2HD TYR 95 8.033 0.046 10.123 669 HD2 TYR 95 1HD TYR 95 7.249 2.308 6.606 670 HE1 TYR 95 2HE TYR 95 9.398 1.889 11.011 671 HE2 TYR 95 1HE TYR 95 8.613 4.157 7.484 672 HH TYR 95 HH TYR 95 9.530 4.415 10.665 673 H SER 96 H SER 96 7.953 -2.645 5.759 674 HA SER 96 HA SER 96 5.341 -3.896 5.415 675 HB2 SER 96 1HB SER 96 5.982 -3.035 3.366 676 HB3 SER 96 2HB SER 96 7.690 -3.378 3.638 677 HG SER 96 HG SER 96 7.391 -5.441 3.046 678 HA PRO 97 HA PRO 97 4.646 -5.595 3.977 679 HB2 PRO 97 1HB PRO 97 2.978 -7.530 4.895 680 HB3 PRO 97 2HB PRO 97 4.222 -7.833 3.676 681 HG2 PRO 97 1HG PRO 97 4.282 -8.374 6.620 682 HG3 PRO 97 2HG PRO 97 4.839 -9.397 5.283 683 HD2 PRO 97 1HD PRO 97 6.534 -7.911 6.782 684 HD3 PRO 97 2HD PRO 97 6.825 -8.249 5.064 685 H PHE 98 H PHE 98 2.871 -4.353 4.376 686 HA PHE 98 HA PHE 98 2.488 -3.449 7.102 687 HB2 PHE 98 1HB PHE 98 1.746 -2.474 4.400 688 HB3 PHE 98 2HB PHE 98 0.664 -2.034 5.717 689 HD1 PHE 98 2HD PHE 98 2.124 -1.314 7.931 690 HD2 PHE 98 1HD PHE 98 3.275 -0.871 3.857 691 HE1 PHE 98 2HE PHE 98 3.640 0.517 8.563 692 HE2 PHE 98 1HE PHE 98 4.794 0.961 4.483 693 HZ PHE 98 HZ PHE 98 4.977 1.658 6.838 694 H ARG 99 H ARG 99 1.097 -4.398 8.422 695 HA ARG 99 HA ARG 99 -1.008 -6.094 7.371 696 HB2 ARG 99 1HB ARG 99 -1.419 -6.565 9.821 697 HB3 ARG 99 2HB ARG 99 0.171 -7.014 9.217 698 HG2 ARG 99 1HG ARG 99 1.136 -5.015 10.195 699 HG3 ARG 99 2HG ARG 99 -0.458 -4.499 10.750 700 HD2 ARG 99 1HD ARG 99 -0.616 -6.457 12.180 701 HD3 ARG 99 2HD ARG 99 0.939 -7.038 11.585 702 HE ARG 99 HE ARG 99 0.979 -4.415 12.807 703 HH11 ARG 99 1HH1 ARG 99 1.380 -7.845 13.245 704 HH12 ARG 99 2HH1 ARG 99 2.347 -7.682 14.674 705 HH21 ARG 99 1HH2 ARG 99 2.250 -4.186 14.687 706 HH22 ARG 99 2HH2 ARG 99 2.840 -5.600 15.494 707 H ILE 100 H ILE 100 -2.735 -5.004 6.636 708 HA ILE 100 HA ILE 100 -3.897 -2.934 8.384 709 HB ILE 100 HB ILE 100 -4.344 -3.192 5.412 710 HG12 ILE 100 1HG1 ILE 100 -1.973 -2.684 5.913 711 HG13 ILE 100 2HG1 ILE 100 -2.791 -1.338 5.126 712 HG21 ILE 100 1HG2 ILE 100 -5.006 -0.728 5.815 713 HG22 ILE 100 2HG2 ILE 100 -6.135 -2.001 6.278 714 HG23 ILE 100 3HG2 ILE 100 -5.146 -1.211 7.506 715 HD11 ILE 100 1HD1 ILE 100 -1.319 -1.297 7.498 716 HD12 ILE 100 2HD1 ILE 100 -2.276 0.010 6.799 717 HD13 ILE 100 3HD1 ILE 100 -3.004 -1.088 7.972 718 H HIS 101 H HIS 101 -5.995 -3.103 8.989 719 HA HIS 101 HA HIS 101 -7.394 -5.561 8.197 720 HB2 HIS 101 1HB HIS 101 -6.843 -4.855 10.677 721 HB3 HIS 101 2HB HIS 101 -8.286 -3.863 10.492 722 HD1 HIS 101 1HD HIS 101 -7.428 -6.929 11.865 723 HD2 HIS 101 2HD HIS 101 -10.434 -5.764 9.246 724 HE1 HIS 101 1HE HIS 101 -9.197 -8.708 12.039 725 HE2 HIS 101 2HE HIS 101 -10.967 -8.026 10.382 726 H ALA 102 H ALA 102 -9.381 -5.517 7.272 727 HA ALA 102 HA ALA 102 -10.521 -2.858 6.706 728 HB1 ALA 102 1HB ALA 102 -10.067 -3.481 4.588 729 HB2 ALA 102 2HB ALA 102 -10.036 -5.199 4.984 730 HB3 ALA 102 3HB ALA 102 -11.578 -4.376 4.751 731 H LEU 103 H LEU 103 -12.302 -2.513 7.854 732 HA LEU 103 HA LEU 103 -13.894 -4.730 8.831 733 HB2 LEU 103 1HB LEU 103 -14.413 -1.788 9.187 734 HB3 LEU 103 2HB LEU 103 -15.054 -3.117 10.150 735 HG LEU 103 HG LEU 103 -12.116 -2.491 10.062 736 HD11 LEU 103 1HD1 LEU 103 -12.285 -0.837 11.572 737 HD12 LEU 103 2HD1 LEU 103 -13.664 -1.576 12.386 738 HD13 LEU 103 3HD1 LEU 103 -13.907 -0.651 10.905 739 HD21 LEU 103 1HD2 LEU 103 -13.111 -4.698 10.933 740 HD22 LEU 103 2HD2 LEU 103 -13.686 -3.734 12.293 741 HD23 LEU 103 3HD2 LEU 103 -11.958 -3.839 11.954 742 HA PRO 104 HA PRO 104 -16.819 -4.588 5.524 743 HB2 PRO 104 1HB PRO 104 -18.807 -5.989 6.731 744 HB3 PRO 104 2HB PRO 104 -17.338 -6.749 6.107 745 HG2 PRO 104 1HG PRO 104 -18.019 -5.968 8.915 746 HG3 PRO 104 2HG PRO 104 -17.246 -7.450 8.322 747 HD2 PRO 104 1HD PRO 104 -15.840 -5.412 9.418 748 HD3 PRO 104 2HD PRO 104 -15.179 -6.448 8.137 749 H THR 105 H THR 105 -17.819 -2.729 5.070 750 HA THR 105 HA THR 105 -20.151 -1.946 6.576 751 HB THR 105 HB THR 105 -18.253 -0.844 7.801 752 HG1 THR 105 1HG THR 105 -20.465 0.027 7.623 753 HG21 THR 105 1HG2 THR 105 -16.987 0.879 6.821 754 HG22 THR 105 2HG2 THR 105 -18.039 0.965 5.408 755 HG23 THR 105 3HG2 THR 105 -16.967 -0.418 5.628 756 H GLY 106 H GLY 106 -21.637 -1.058 5.265 757 HA2 GLY 106 1HA GLY 106 -20.937 -0.681 2.474 758 HA3 GLY 106 2HA GLY 106 -22.555 -0.656 3.159 759 H ASP 107 H ASP 107 -20.613 1.193 1.474 760 HA ASP 107 HA ASP 107 -21.547 3.661 2.775 761 HB2 ASP 107 1HB ASP 107 -19.001 3.097 2.971 762 HB3 ASP 107 2HB ASP 107 -18.944 3.612 1.287 763 H ALA 108 H ALA 108 -22.793 4.831 1.483 764 HA ALA 108 HA ALA 108 -23.220 4.134 -1.239 765 HB1 ALA 108 1HB ALA 108 -24.252 6.727 -0.720 766 HB2 ALA 108 2HB ALA 108 -25.124 5.199 -0.845 767 HB3 ALA 108 3HB ALA 108 -24.505 5.736 0.717 768 H SER 109 H SER 109 -21.260 4.346 -2.332 769 HA SER 109 HA SER 109 -20.661 7.044 -3.199 770 HB2 SER 109 1HB SER 109 -18.792 5.422 -1.524 771 HB3 SER 109 2HB SER 109 -18.116 6.417 -2.814 772 HG SER 109 HG SER 109 -18.221 7.604 -0.898 773 H SER 110 H SER 110 -18.598 6.823 -4.761 774 HA SER 110 HA SER 110 -19.428 4.877 -6.748 775 HB2 SER 110 1HB SER 110 -17.359 7.084 -6.876 776 HB3 SER 110 2HB SER 110 -17.855 6.080 -8.238 777 HG SER 110 HG SER 110 -19.883 7.351 -6.834 778 H GLY 111 H GLY 111 -18.661 2.875 -6.427 779 HA2 GLY 111 1HA GLY 111 -15.857 2.386 -6.690 780 HA3 GLY 111 2HA GLY 111 -16.413 2.085 -5.050 781 HA PRO 112 HA PRO 112 -17.394 -2.006 -6.332 782 HB2 PRO 112 1HB PRO 112 -19.078 -2.679 -4.312 783 HB3 PRO 112 2HB PRO 112 -17.328 -2.556 -4.102 784 HG2 PRO 112 1HG PRO 112 -19.461 -0.572 -3.414 785 HG3 PRO 112 2HG PRO 112 -18.037 -1.055 -2.475 786 HD2 PRO 112 1HD PRO 112 -18.120 1.231 -3.924 787 HD3 PRO 112 2HD PRO 112 -16.623 0.308 -3.682 788 H SER 113 H SER 113 -19.703 0.512 -6.072 789 HA SER 113 HA SER 113 -22.136 -0.651 -6.508 790 HB2 SER 113 1HB SER 113 -21.105 1.819 -7.923 791 HB3 SER 113 2HB SER 113 -22.798 1.395 -7.671 792 HG SER 113 HG SER 113 -20.966 2.484 -5.923 793 H SER 114 H SER 114 -23.395 -1.018 -8.444 794 HA SER 114 HA SER 114 -21.982 -1.404 -10.942 795 HB2 SER 114 1HB SER 114 -22.759 -3.817 -11.081 796 HB3 SER 114 2HB SER 114 -21.435 -3.508 -9.957 797 HG SER 114 HG SER 114 -23.868 -4.527 -9.459 798 H GLY 115 H GLY 115 -23.317 -1.321 -12.697 799 HA2 GLY 115 1HA GLY 115 -25.575 -1.835 -13.597 800 HA3 GLY 115 2HA GLY 115 -26.209 -1.123 -12.121 Start of MODEL 19 1 H1 GLY 1 H GLY 1 20.872 -14.791 -14.218 2 HA2 GLY 1 1HA GLY 1 20.752 -11.980 -14.766 3 HA3 GLY 1 2HA GLY 1 19.434 -12.986 -14.184 4 H SER 2 H SER 2 21.035 -10.330 -13.427 5 HA SER 2 HA SER 2 21.118 -10.890 -10.538 6 HB2 SER 2 1HB SER 2 23.249 -10.096 -11.481 7 HB3 SER 2 2HB SER 2 22.443 -8.648 -12.085 8 HG SER 2 HG SER 2 22.694 -9.417 -9.363 9 H SER 3 H SER 3 19.184 -10.409 -9.699 10 HA SER 3 HA SER 3 18.014 -7.788 -10.371 11 HB2 SER 3 1HB SER 3 15.791 -8.756 -9.985 12 HB3 SER 3 2HB SER 3 16.640 -9.629 -11.260 13 HG SER 3 HG SER 3 15.692 -11.087 -9.820 14 H GLY 4 H GLY 4 16.862 -6.713 -8.666 15 HA2 GLY 4 1HA GLY 4 16.695 -5.910 -6.522 16 HA3 GLY 4 2HA GLY 4 16.649 -7.597 -6.031 17 H SER 5 H SER 5 19.028 -5.201 -7.180 18 HA SER 5 HA SER 5 21.053 -6.440 -5.479 19 HB2 SER 5 1HB SER 5 21.447 -5.738 -7.925 20 HB3 SER 5 2HB SER 5 21.494 -4.086 -7.310 21 HG SER 5 HG SER 5 23.234 -6.235 -6.747 22 H SER 6 H SER 6 22.649 -4.668 -4.548 23 HA SER 6 HA SER 6 20.993 -2.985 -2.818 24 HB2 SER 6 1HB SER 6 22.459 -4.466 -1.613 25 HB3 SER 6 2HB SER 6 23.850 -3.946 -2.565 26 HG SER 6 HG SER 6 22.394 -2.037 -1.116 27 H GLY 7 H GLY 7 20.674 -1.413 -4.548 28 HA2 GLY 7 1HA GLY 7 22.943 0.059 -5.538 29 HA3 GLY 7 2HA GLY 7 21.250 0.440 -5.813 30 H ALA 8 H ALA 8 21.756 2.661 -5.463 31 HA ALA 8 HA ALA 8 22.499 3.393 -2.725 32 HB1 ALA 8 1HB ALA 8 23.749 4.849 -3.869 33 HB2 ALA 8 2HB ALA 8 22.811 4.632 -5.347 34 HB3 ALA 8 3HB ALA 8 22.250 5.750 -4.104 35 H HIS 9 H HIS 9 20.279 2.511 -2.148 36 HA HIS 9 HA HIS 9 18.434 4.765 -2.020 37 HB2 HIS 9 1HB HIS 9 16.503 3.298 -2.595 38 HB3 HIS 9 2HB HIS 9 17.605 3.561 -3.943 39 HD1 HIS 9 1HD HIS 9 18.904 1.530 -4.827 40 HD2 HIS 9 2HD HIS 9 16.434 0.666 -1.600 41 HE1 HIS 9 1HE HIS 9 18.804 -0.980 -4.710 42 HE2 HIS 9 2HE HIS 9 17.236 -1.479 -2.803 43 H ASP 10 H ASP 10 17.263 4.852 -0.151 44 HA ASP 10 HA ASP 10 17.619 2.619 1.740 45 HB2 ASP 10 1HB ASP 10 17.890 5.581 2.176 46 HB3 ASP 10 2HB ASP 10 17.481 4.508 3.512 47 H ALA 11 H ALA 11 15.645 1.673 1.567 48 HA ALA 11 HA ALA 11 13.197 3.011 1.247 49 HB1 ALA 11 1HB ALA 11 12.793 0.554 2.642 50 HB2 ALA 11 2HB ALA 11 12.490 0.931 0.945 51 HB3 ALA 11 3HB ALA 11 14.072 0.336 1.448 52 H SER 12 H SER 12 15.017 2.105 4.109 53 HA SER 12 HA SER 12 13.072 2.400 6.066 54 HB2 SER 12 1HB SER 12 14.875 2.716 7.635 55 HB3 SER 12 2HB SER 12 15.414 1.560 6.416 56 HG SER 12 HG SER 12 17.045 2.884 6.256 57 H LYS 13 H LYS 13 14.333 4.741 3.977 58 HA LYS 13 HA LYS 13 13.668 6.966 5.758 59 HB2 LYS 13 1HB LYS 13 14.870 7.022 2.984 60 HB3 LYS 13 2HB LYS 13 14.705 8.393 4.074 61 HG2 LYS 13 1HG LYS 13 16.210 6.034 5.053 62 HG3 LYS 13 2HG LYS 13 16.970 7.048 3.825 63 HD2 LYS 13 1HD LYS 13 17.684 8.165 5.672 64 HD3 LYS 13 2HD LYS 13 16.125 8.969 5.471 65 HE2 LYS 13 1HE LYS 13 15.210 7.118 7.002 66 HE3 LYS 13 2HE LYS 13 16.898 6.811 7.408 67 HZ1 LYS 13 1HZ LYS 13 15.905 8.318 8.991 68 HZ2 LYS 13 2HZ LYS 13 15.458 9.385 7.758 69 HZ3 LYS 13 3HZ LYS 13 17.094 9.131 8.104 70 H VAL 14 H VAL 14 11.687 5.122 4.468 71 HA VAL 14 HA VAL 14 10.209 7.080 2.841 72 HB VAL 14 HB VAL 14 9.867 4.083 3.020 73 HG11 VAL 14 1HG1 VAL 14 8.480 5.866 1.052 74 HG12 VAL 14 2HG1 VAL 14 8.079 4.218 1.538 75 HG13 VAL 14 3HG1 VAL 14 7.785 5.561 2.644 76 HG21 VAL 14 1HG2 VAL 14 11.071 3.878 1.119 77 HG22 VAL 14 2HG2 VAL 14 10.508 5.417 0.466 78 HG23 VAL 14 3HG2 VAL 14 11.795 5.388 1.672 79 H ARG 15 H ARG 15 8.434 7.987 3.650 80 HA ARG 15 HA ARG 15 7.455 7.091 6.243 81 HB2 ARG 15 1HB ARG 15 7.849 9.443 6.089 82 HB3 ARG 15 2HB ARG 15 6.934 9.562 4.593 83 HG2 ARG 15 1HG ARG 15 5.507 10.440 6.203 84 HG3 ARG 15 2HG ARG 15 4.927 8.788 5.979 85 HD2 ARG 15 1HD ARG 15 4.985 8.852 8.256 86 HD3 ARG 15 2HD ARG 15 6.634 8.312 7.943 87 HE ARG 15 HE ARG 15 7.406 10.310 8.753 88 HH11 ARG 15 1HH1 ARG 15 3.995 10.575 8.111 89 HH12 ARG 15 2HH1 ARG 15 3.843 12.132 8.856 90 HH21 ARG 15 1HH2 ARG 15 7.219 12.359 9.737 91 HH22 ARG 15 2HH2 ARG 15 5.678 13.146 9.780 92 H ALA 16 H ALA 16 5.238 6.692 6.667 93 HA ALA 16 HA ALA 16 3.511 6.249 4.345 94 HB1 ALA 16 1HB ALA 16 4.837 4.160 5.716 95 HB2 ALA 16 2HB ALA 16 3.123 4.062 6.123 96 HB3 ALA 16 3HB ALA 16 3.632 4.038 4.434 97 H SER 17 H SER 17 1.720 7.358 4.742 98 HA SER 17 HA SER 17 0.291 6.983 7.227 99 HB2 SER 17 1HB SER 17 2.004 8.999 7.376 100 HB3 SER 17 2HB SER 17 0.735 9.846 6.492 101 HG SER 17 HG SER 17 0.808 9.025 9.108 102 H GLY 18 H GLY 18 -1.901 7.446 7.067 103 HA2 GLY 18 1HA GLY 18 -3.424 8.929 5.517 104 HA3 GLY 18 2HA GLY 18 -2.853 7.776 4.320 105 HA PRO 19 HA PRO 19 -6.753 6.195 6.378 106 HB2 PRO 19 1HB PRO 19 -8.180 5.910 4.086 107 HB3 PRO 19 2HB PRO 19 -8.151 7.411 5.020 108 HG2 PRO 19 1HG PRO 19 -6.611 6.681 2.559 109 HG3 PRO 19 2HG PRO 19 -7.429 8.203 2.956 110 HD2 PRO 19 1HD PRO 19 -4.754 7.876 3.219 111 HD3 PRO 19 2HD PRO 19 -5.696 8.933 4.290 112 H GLY 20 H GLY 20 -5.222 5.246 3.309 113 HA2 GLY 20 1HA GLY 20 -6.109 2.572 3.305 114 HA3 GLY 20 2HA GLY 20 -4.707 3.185 2.440 115 H LEU 21 H LEU 21 -3.417 4.125 4.912 116 HA LEU 21 HA LEU 21 -2.359 1.532 5.759 117 HB2 LEU 21 1HB LEU 21 -1.260 4.291 6.272 118 HB3 LEU 21 2HB LEU 21 -0.446 2.758 6.577 119 HG LEU 21 HG LEU 21 -1.256 3.604 3.809 120 HD11 LEU 21 1HD1 LEU 21 1.106 4.433 5.432 121 HD12 LEU 21 2HD1 LEU 21 0.134 5.371 4.298 122 HD13 LEU 21 3HD1 LEU 21 1.285 4.178 3.696 123 HD21 LEU 21 1HD2 LEU 21 1.142 2.068 4.010 124 HD22 LEU 21 2HD2 LEU 21 -0.381 1.653 3.222 125 HD23 LEU 21 3HD2 LEU 21 -0.136 1.269 4.927 126 H ASN 22 H ASN 22 -4.908 2.556 6.753 127 HA ASN 22 HA ASN 22 -4.512 3.505 9.424 128 HB2 ASN 22 1HB ASN 22 -6.577 3.860 7.956 129 HB3 ASN 22 2HB ASN 22 -7.021 2.206 8.367 130 HD21 ASN 22 1HD2 ASN 22 -8.446 2.104 9.927 131 HD22 ASN 22 2HD2 ASN 22 -8.566 3.175 11.278 132 H ALA 23 H ALA 23 -3.859 2.327 11.087 133 HA ALA 23 HA ALA 23 -3.786 -0.546 10.951 134 HB1 ALA 23 1HB ALA 23 -2.271 -0.434 12.613 135 HB2 ALA 23 2HB ALA 23 -2.204 1.271 12.164 136 HB3 ALA 23 3HB ALA 23 -3.201 0.756 13.525 137 H SER 24 H SER 24 -5.853 1.863 12.343 138 HA SER 24 HA SER 24 -7.093 0.198 14.292 139 HB2 SER 24 1HB SER 24 -7.073 2.819 14.037 140 HB3 SER 24 2HB SER 24 -8.517 2.531 13.067 141 HG SER 24 HG SER 24 -9.537 1.696 14.813 142 H GLY 25 H GLY 25 -7.476 0.623 10.888 143 HA2 GLY 25 1HA GLY 25 -8.630 -1.369 9.870 144 HA3 GLY 25 2HA GLY 25 -9.949 -0.992 10.969 145 H ILE 26 H ILE 26 -9.478 -1.000 7.906 146 HA ILE 26 HA ILE 26 -10.554 1.695 7.398 147 HB ILE 26 HB ILE 26 -9.839 1.404 5.062 148 HG12 ILE 26 1HG1 ILE 26 -8.180 -0.959 5.819 149 HG13 ILE 26 2HG1 ILE 26 -9.879 -1.223 5.444 150 HG21 ILE 26 1HG2 ILE 26 -8.378 2.437 6.825 151 HG22 ILE 26 2HG2 ILE 26 -7.529 0.895 6.921 152 HG23 ILE 26 3HG2 ILE 26 -7.525 1.810 5.414 153 HD11 ILE 26 1HD1 ILE 26 -9.500 -0.077 3.268 154 HD12 ILE 26 2HD1 ILE 26 -7.778 -0.045 3.649 155 HD13 ILE 26 3HD1 ILE 26 -8.611 -1.588 3.467 156 HA PRO 27 HA PRO 27 -14.416 -0.092 6.276 157 HB2 PRO 27 1HB PRO 27 -15.345 1.865 4.639 158 HB3 PRO 27 2HB PRO 27 -15.267 2.039 6.397 159 HG2 PRO 27 1HG PRO 27 -13.378 3.053 4.308 160 HG3 PRO 27 2HG PRO 27 -13.997 3.877 5.751 161 HD2 PRO 27 1HD PRO 27 -11.534 2.756 5.657 162 HD3 PRO 27 2HD PRO 27 -12.494 2.827 7.148 163 H ALA 28 H ALA 28 -14.200 -1.874 5.020 164 HA ALA 28 HA ALA 28 -12.947 -2.028 2.530 165 HB1 ALA 28 1HB ALA 28 -13.481 -3.970 3.956 166 HB2 ALA 28 2HB ALA 28 -15.184 -3.780 3.537 167 HB3 ALA 28 3HB ALA 28 -14.008 -4.183 2.286 168 H SER 29 H SER 29 -14.281 -2.895 0.542 169 HA SER 29 HA SER 29 -15.557 -2.275 -1.240 170 HB2 SER 29 1HB SER 29 -17.485 -1.897 1.047 171 HB3 SER 29 2HB SER 29 -17.968 -1.645 -0.630 172 HG SER 29 HG SER 29 -17.722 -3.753 -1.039 173 H LEU 30 H LEU 30 -13.776 -0.315 -0.386 174 HA LEU 30 HA LEU 30 -15.018 2.028 -1.510 175 HB2 LEU 30 1HB LEU 30 -15.665 2.362 0.769 176 HB3 LEU 30 2HB LEU 30 -14.034 2.006 1.335 177 HG LEU 30 HG LEU 30 -13.479 4.131 -0.178 178 HD11 LEU 30 1HD1 LEU 30 -15.166 5.747 -0.241 179 HD12 LEU 30 2HD1 LEU 30 -16.189 4.856 0.884 180 HD13 LEU 30 3HD1 LEU 30 -15.964 4.263 -0.761 181 HD21 LEU 30 1HD2 LEU 30 -13.155 5.266 1.786 182 HD22 LEU 30 2HD2 LEU 30 -13.290 3.614 2.389 183 HD23 LEU 30 3HD2 LEU 30 -14.672 4.706 2.490 184 HA PRO 31 HA PRO 31 -10.904 2.364 -3.074 185 HB2 PRO 31 1HB PRO 31 -11.097 4.867 -4.108 186 HB3 PRO 31 2HB PRO 31 -11.845 3.455 -4.864 187 HG2 PRO 31 1HG PRO 31 -13.080 5.542 -3.108 188 HG3 PRO 31 2HG PRO 31 -13.716 4.810 -4.593 189 HD2 PRO 31 1HD PRO 31 -14.523 4.037 -2.127 190 HD3 PRO 31 2HD PRO 31 -14.438 2.914 -3.499 191 H VAL 32 H VAL 32 -9.530 2.435 -1.331 192 HA VAL 32 HA VAL 32 -9.214 5.017 0.044 193 HB VAL 32 HB VAL 32 -9.678 2.950 1.422 194 HG11 VAL 32 1HG1 VAL 32 -8.002 1.318 1.749 195 HG12 VAL 32 2HG1 VAL 32 -8.160 1.504 0.001 196 HG13 VAL 32 3HG1 VAL 32 -6.808 2.255 0.851 197 HG21 VAL 32 1HG2 VAL 32 -7.130 4.486 1.919 198 HG22 VAL 32 2HG2 VAL 32 -8.754 4.935 2.439 199 HG23 VAL 32 3HG2 VAL 32 -7.970 3.513 3.126 200 H GLU 33 H GLU 33 -7.238 6.027 0.151 201 HA GLU 33 HA GLU 33 -4.968 4.772 -1.210 202 HB2 GLU 33 1HB GLU 33 -4.560 7.124 -2.242 203 HB3 GLU 33 2HB GLU 33 -5.710 6.036 -3.006 204 HG2 GLU 33 1HG GLU 33 -6.584 8.293 -2.906 205 HG3 GLU 33 2HG GLU 33 -7.552 7.201 -1.918 206 H PHE 34 H PHE 34 -2.956 5.422 -0.486 207 HA PHE 34 HA PHE 34 -2.980 7.166 1.889 208 HB2 PHE 34 1HB PHE 34 -0.880 5.862 2.525 209 HB3 PHE 34 2HB PHE 34 -2.407 4.993 2.630 210 HD1 PHE 34 1HD PHE 34 -3.044 3.460 0.716 211 HD2 PHE 34 2HD PHE 34 0.869 5.059 1.210 212 HE1 PHE 34 1HE PHE 34 -2.144 1.700 -0.749 213 HE2 PHE 34 2HE PHE 34 1.776 3.302 -0.254 214 HZ PHE 34 HZ PHE 34 0.269 1.620 -1.236 215 H THR 35 H THR 35 -0.467 7.783 2.310 216 HA THR 35 HA THR 35 0.590 8.856 -0.220 217 HB THR 35 HB THR 35 0.359 10.368 2.390 218 HG1 THR 35 1HG THR 35 -1.227 11.478 1.402 219 HG21 THR 35 1HG2 THR 35 1.838 11.872 1.633 220 HG22 THR 35 2HG2 THR 35 1.145 11.859 0.012 221 HG23 THR 35 3HG2 THR 35 2.328 10.636 0.476 222 H ILE 36 H ILE 36 2.626 8.271 -0.548 223 HA ILE 36 HA ILE 36 4.240 7.425 1.758 224 HB ILE 36 HB ILE 36 4.691 6.828 -1.168 225 HG12 ILE 36 1HG1 ILE 36 2.646 5.763 -0.245 226 HG13 ILE 36 2HG1 ILE 36 3.883 4.590 -0.683 227 HG21 ILE 36 1HG2 ILE 36 6.314 5.187 -0.342 228 HG22 ILE 36 2HG2 ILE 36 6.748 6.830 0.126 229 HG23 ILE 36 3HG2 ILE 36 6.024 5.739 1.307 230 HD11 ILE 36 1HD1 ILE 36 4.467 4.249 1.598 231 HD12 ILE 36 2HD1 ILE 36 3.446 5.591 2.116 232 HD13 ILE 36 3HD1 ILE 36 2.713 4.126 1.461 233 H ASP 37 H ASP 37 4.938 9.491 2.388 234 HA ASP 37 HA ASP 37 6.317 11.197 0.514 235 HB2 ASP 37 1HB ASP 37 6.092 11.397 3.525 236 HB3 ASP 37 2HB ASP 37 6.700 12.654 2.451 237 H ALA 38 H ALA 38 8.187 10.360 -0.228 238 HA ALA 38 HA ALA 38 10.225 9.662 1.780 239 HB1 ALA 38 1HB ALA 38 9.111 7.942 -0.164 240 HB2 ALA 38 2HB ALA 38 10.767 8.293 -0.659 241 HB3 ALA 38 3HB ALA 38 10.448 7.623 0.941 242 H ARG 39 H ARG 39 11.828 11.082 1.713 243 HA ARG 39 HA ARG 39 12.321 12.593 -0.738 244 HB2 ARG 39 1HB ARG 39 13.495 12.967 2.024 245 HB3 ARG 39 2HB ARG 39 13.673 14.065 0.662 246 HG2 ARG 39 1HG ARG 39 11.989 15.132 1.719 247 HG3 ARG 39 2HG ARG 39 11.012 13.997 0.786 248 HD2 ARG 39 1HD ARG 39 10.242 13.999 3.063 249 HD3 ARG 39 2HD ARG 39 11.032 12.459 2.729 250 HE ARG 39 HE ARG 39 12.961 14.131 3.805 251 HH11 ARG 39 1HH1 ARG 39 9.938 12.712 4.789 252 HH12 ARG 39 2HH1 ARG 39 10.364 12.649 6.467 253 HH21 ARG 39 1HH2 ARG 39 13.533 14.054 6.012 254 HH22 ARG 39 2HH2 ARG 39 12.409 13.414 7.162 255 H ASP 40 H ASP 40 14.282 10.921 1.732 256 HA ASP 40 HA ASP 40 16.383 10.536 -0.278 257 HB2 ASP 40 1HB ASP 40 16.365 10.445 2.731 258 HB3 ASP 40 2HB ASP 40 17.695 9.757 1.803 259 H ALA 41 H ALA 41 13.970 8.981 -0.383 260 HA ALA 41 HA ALA 41 14.342 6.414 0.758 261 HB1 ALA 41 1HB ALA 41 12.657 5.741 -1.048 262 HB2 ALA 41 2HB ALA 41 12.144 6.926 0.154 263 HB3 ALA 41 3HB ALA 41 12.614 7.456 -1.461 264 H GLY 42 H GLY 42 15.721 7.976 -1.968 265 HA2 GLY 42 1HA GLY 42 17.789 6.797 -2.747 266 HA3 GLY 42 2HA GLY 42 16.761 5.383 -2.934 267 H GLU 43 H GLU 43 18.116 5.999 -5.097 268 HA GLU 43 HA GLU 43 16.392 7.664 -6.790 269 HB2 GLU 43 1HB GLU 43 18.773 8.222 -6.822 270 HB3 GLU 43 2HB GLU 43 19.167 6.575 -7.293 271 HG2 GLU 43 1HG GLU 43 18.133 6.851 -9.418 272 HG3 GLU 43 2HG GLU 43 17.453 8.408 -8.947 273 H GLY 44 H GLY 44 14.794 5.859 -6.664 274 HA2 GLY 44 1HA GLY 44 15.185 4.107 -8.966 275 HA3 GLY 44 2HA GLY 44 14.873 3.323 -7.424 276 H LEU 45 H LEU 45 12.943 2.428 -8.255 277 HA LEU 45 HA LEU 45 10.754 4.381 -8.543 278 HB2 LEU 45 1HB LEU 45 9.679 2.989 -10.098 279 HB3 LEU 45 2HB LEU 45 11.369 3.046 -10.596 280 HG LEU 45 HG LEU 45 11.465 0.810 -9.160 281 HD11 LEU 45 1HD1 LEU 45 8.695 0.632 -10.294 282 HD12 LEU 45 2HD1 LEU 45 8.981 1.142 -8.630 283 HD13 LEU 45 3HD1 LEU 45 9.505 -0.455 -9.165 284 HD21 LEU 45 1HD2 LEU 45 12.200 0.565 -11.301 285 HD22 LEU 45 2HD2 LEU 45 10.786 1.355 -11.998 286 HD23 LEU 45 3HD2 LEU 45 10.674 -0.311 -11.427 287 H LEU 46 H LEU 46 8.984 4.136 -7.288 288 HA LEU 46 HA LEU 46 9.140 2.250 -5.109 289 HB2 LEU 46 1HB LEU 46 8.418 4.386 -4.479 290 HB3 LEU 46 2HB LEU 46 7.283 4.493 -5.823 291 HG LEU 46 HG LEU 46 6.122 2.491 -4.554 292 HD11 LEU 46 1HD1 LEU 46 6.522 3.581 -2.022 293 HD12 LEU 46 2HD1 LEU 46 8.139 3.378 -2.696 294 HD13 LEU 46 3HD1 LEU 46 7.045 1.998 -2.597 295 HD21 LEU 46 1HD2 LEU 46 4.887 4.293 -3.192 296 HD22 LEU 46 2HD2 LEU 46 4.871 4.412 -4.951 297 HD23 LEU 46 3HD2 LEU 46 5.958 5.433 -4.008 298 H THR 47 H THR 47 7.835 0.516 -4.731 299 HA THR 47 HA THR 47 5.842 -0.145 -6.797 300 HB THR 47 HB THR 47 6.464 -2.518 -6.603 301 HG1 THR 47 1HG THR 47 8.811 -1.752 -5.230 302 HG21 THR 47 1HG2 THR 47 8.392 -2.433 -7.964 303 HG22 THR 47 2HG2 THR 47 8.947 -0.933 -7.221 304 HG23 THR 47 3HG2 THR 47 7.535 -0.924 -8.277 305 H VAL 48 H VAL 48 3.975 -1.147 -6.113 306 HA VAL 48 HA VAL 48 3.700 -1.716 -3.247 307 HB VAL 48 HB VAL 48 1.762 -0.036 -4.844 308 HG11 VAL 48 1HG1 VAL 48 0.481 -1.374 -3.372 309 HG12 VAL 48 2HG1 VAL 48 1.630 -1.149 -2.051 310 HG13 VAL 48 3HG1 VAL 48 0.635 0.202 -2.595 311 HG21 VAL 48 1HG2 VAL 48 4.043 0.631 -3.215 312 HG22 VAL 48 2HG2 VAL 48 3.020 1.682 -4.195 313 HG23 VAL 48 3HG2 VAL 48 2.565 1.309 -2.532 314 H GLN 49 H GLN 49 2.507 -3.482 -2.789 315 HA GLN 49 HA GLN 49 0.806 -4.626 -4.884 316 HB2 GLN 49 1HB GLN 49 2.969 -5.754 -5.070 317 HB3 GLN 49 2HB GLN 49 2.921 -6.155 -3.358 318 HG2 GLN 49 1HG GLN 49 2.203 -8.120 -4.237 319 HG3 GLN 49 2HG GLN 49 0.654 -7.303 -4.032 320 HE21 GLN 49 1HE2 GLN 49 0.612 -9.284 -5.741 321 HE22 GLN 49 2HE2 GLN 49 0.599 -8.737 -7.380 322 H ILE 50 H ILE 50 -1.037 -5.547 -4.154 323 HA ILE 50 HA ILE 50 -1.344 -5.833 -1.237 324 HB ILE 50 HB ILE 50 -3.561 -4.985 -3.094 325 HG12 ILE 50 1HG1 ILE 50 -1.891 -3.218 -1.294 326 HG13 ILE 50 2HG1 ILE 50 -1.730 -3.296 -3.045 327 HG21 ILE 50 1HG2 ILE 50 -3.395 -5.747 -0.322 328 HG22 ILE 50 2HG2 ILE 50 -4.016 -4.106 -0.487 329 HG23 ILE 50 3HG2 ILE 50 -4.817 -5.439 -1.318 330 HD11 ILE 50 1HD1 ILE 50 -3.228 -1.677 -3.173 331 HD12 ILE 50 2HD1 ILE 50 -4.435 -2.812 -2.567 332 HD13 ILE 50 3HD1 ILE 50 -3.557 -1.775 -1.444 333 H LEU 51 H LEU 51 -2.086 -7.740 -0.547 334 HA LEU 51 HA LEU 51 -3.199 -9.592 -2.550 335 HB2 LEU 51 1HB LEU 51 -1.562 -10.173 -0.089 336 HB3 LEU 51 2HB LEU 51 -2.333 -11.406 -1.085 337 HG LEU 51 HG LEU 51 0.023 -9.665 -1.728 338 HD11 LEU 51 1HD1 LEU 51 0.766 -12.011 -2.552 339 HD12 LEU 51 2HD1 LEU 51 -0.554 -12.590 -1.537 340 HD13 LEU 51 3HD1 LEU 51 0.762 -11.655 -0.825 341 HD21 LEU 51 1HD2 LEU 51 -1.462 -9.434 -3.626 342 HD22 LEU 51 2HD2 LEU 51 -1.696 -11.181 -3.690 343 HD23 LEU 51 3HD2 LEU 51 -0.113 -10.489 -4.045 344 H ASP 52 H ASP 52 -5.316 -9.814 -2.298 345 HA ASP 52 HA ASP 52 -6.909 -9.003 -0.246 346 HB2 ASP 52 1HB ASP 52 -8.343 -11.134 -1.029 347 HB3 ASP 52 2HB ASP 52 -8.207 -9.668 -1.997 348 HA PRO 53 HA PRO 53 -6.465 -11.643 3.227 349 HB2 PRO 53 1HB PRO 53 -9.028 -12.011 4.043 350 HB3 PRO 53 2HB PRO 53 -8.173 -10.475 4.227 351 HG2 PRO 53 1HG PRO 53 -10.144 -11.307 2.133 352 HG3 PRO 53 2HG PRO 53 -10.019 -9.767 3.004 353 HD2 PRO 53 1HD PRO 53 -9.087 -10.095 0.483 354 HD3 PRO 53 2HD PRO 53 -8.324 -8.993 1.647 355 H GLU 54 H GLU 54 -7.554 -12.806 0.383 356 HA GLU 54 HA GLU 54 -8.234 -15.464 1.436 357 HB2 GLU 54 1HB GLU 54 -8.658 -14.234 -1.289 358 HB3 GLU 54 2HB GLU 54 -8.989 -15.920 -0.917 359 HG2 GLU 54 1HG GLU 54 -10.778 -15.396 0.466 360 HG3 GLU 54 2HG GLU 54 -10.248 -13.728 0.680 361 H GLY 55 H GLY 55 -5.871 -13.690 -0.381 362 HA2 GLY 55 1HA GLY 55 -3.607 -14.587 -0.410 363 HA3 GLY 55 2HA GLY 55 -4.308 -16.178 -0.663 364 H LYS 56 H LYS 56 -5.228 -13.190 -2.298 365 HA LYS 56 HA LYS 56 -4.042 -14.227 -4.780 366 HB2 LYS 56 1HB LYS 56 -6.745 -12.897 -4.708 367 HB3 LYS 56 2HB LYS 56 -6.003 -13.776 -6.039 368 HG2 LYS 56 1HG LYS 56 -6.677 -15.131 -3.452 369 HG3 LYS 56 2HG LYS 56 -7.874 -14.924 -4.733 370 HD2 LYS 56 1HD LYS 56 -6.677 -16.275 -6.225 371 HD3 LYS 56 2HD LYS 56 -5.189 -16.149 -5.284 372 HE2 LYS 56 1HE LYS 56 -7.604 -17.401 -4.054 373 HE3 LYS 56 2HE LYS 56 -6.643 -18.328 -5.205 374 HZ1 LYS 56 1HZ LYS 56 -4.685 -17.572 -3.723 375 HZ2 LYS 56 2HZ LYS 56 -5.664 -18.850 -3.207 376 HZ3 LYS 56 3HZ LYS 56 -5.878 -17.305 -2.554 377 HA PRO 57 HA PRO 57 -2.455 -10.172 -5.353 378 HB2 PRO 57 1HB PRO 57 -2.368 -10.040 -8.063 379 HB3 PRO 57 2HB PRO 57 -1.253 -11.029 -7.113 380 HG2 PRO 57 1HG PRO 57 -3.731 -11.847 -8.579 381 HG3 PRO 57 2HG PRO 57 -2.156 -12.659 -8.503 382 HD2 PRO 57 1HD PRO 57 -4.275 -13.448 -7.013 383 HD3 PRO 57 2HD PRO 57 -2.599 -13.601 -6.447 384 H LYS 58 H LYS 58 -3.266 -8.161 -5.380 385 HA LYS 58 HA LYS 58 -5.939 -7.774 -6.546 386 HB2 LYS 58 1HB LYS 58 -4.507 -6.307 -4.327 387 HB3 LYS 58 2HB LYS 58 -6.040 -5.782 -5.012 388 HG2 LYS 58 1HG LYS 58 -5.605 -8.473 -3.737 389 HG3 LYS 58 2HG LYS 58 -6.233 -7.060 -2.885 390 HD2 LYS 58 1HD LYS 58 -7.491 -8.232 -5.362 391 HD3 LYS 58 2HD LYS 58 -7.987 -8.638 -3.718 392 HE2 LYS 58 1HE LYS 58 -8.192 -6.044 -3.459 393 HE3 LYS 58 2HE LYS 58 -8.291 -6.074 -5.218 394 HZ1 LYS 58 1HZ LYS 58 -10.480 -6.270 -4.660 395 HZ2 LYS 58 2HZ LYS 58 -10.174 -7.126 -3.234 396 HZ3 LYS 58 3HZ LYS 58 -10.065 -7.909 -4.729 397 H LYS 59 H LYS 59 -6.204 -5.193 -6.903 398 HA LYS 59 HA LYS 59 -4.020 -4.448 -8.736 399 HB2 LYS 59 1HB LYS 59 -6.436 -4.986 -9.595 400 HB3 LYS 59 2HB LYS 59 -6.804 -3.371 -9.003 401 HG2 LYS 59 1HG LYS 59 -4.824 -2.596 -10.420 402 HG3 LYS 59 2HG LYS 59 -4.923 -4.180 -11.192 403 HD2 LYS 59 1HD LYS 59 -7.203 -3.751 -11.869 404 HD3 LYS 59 2HD LYS 59 -7.209 -2.220 -10.991 405 HE2 LYS 59 1HE LYS 59 -5.118 -2.667 -13.062 406 HE3 LYS 59 2HE LYS 59 -6.764 -2.321 -13.592 407 HZ1 LYS 59 1HZ LYS 59 -6.157 -0.501 -11.585 408 HZ2 LYS 59 2HZ LYS 59 -6.353 -0.190 -13.236 409 HZ3 LYS 59 3HZ LYS 59 -4.817 -0.534 -12.617 410 H ALA 60 H ALA 60 -2.885 -2.722 -8.171 411 HA ALA 60 HA ALA 60 -4.196 -0.637 -6.554 412 HB1 ALA 60 1HB ALA 60 -2.112 -0.299 -5.340 413 HB2 ALA 60 2HB ALA 60 -2.685 -1.956 -5.153 414 HB3 ALA 60 3HB ALA 60 -1.355 -1.603 -6.255 415 H ASN 61 H ASN 61 -3.402 1.509 -6.840 416 HA ASN 61 HA ASN 61 -2.045 1.905 -9.426 417 HB2 ASN 61 1HB ASN 61 -3.957 3.821 -8.077 418 HB3 ASN 61 2HB ASN 61 -3.298 3.946 -9.706 419 HD21 ASN 61 1HD2 ASN 61 -5.436 2.104 -7.626 420 HD22 ASN 61 2HD2 ASN 61 -6.406 1.442 -8.893 421 H ILE 62 H ILE 62 -0.338 3.291 -9.550 422 HA ILE 62 HA ILE 62 0.499 4.606 -7.049 423 HB ILE 62 HB ILE 62 2.312 3.302 -9.082 424 HG12 ILE 62 1HG1 ILE 62 2.083 2.460 -6.218 425 HG13 ILE 62 2HG1 ILE 62 0.886 1.895 -7.378 426 HG21 ILE 62 1HG2 ILE 62 3.559 3.935 -6.584 427 HG22 ILE 62 2HG2 ILE 62 3.990 4.463 -8.209 428 HG23 ILE 62 3HG2 ILE 62 2.820 5.384 -7.265 429 HD11 ILE 62 1HD1 ILE 62 3.131 1.312 -8.720 430 HD12 ILE 62 2HD1 ILE 62 3.714 1.159 -7.062 431 HD13 ILE 62 3HD1 ILE 62 2.338 0.199 -7.606 432 H ARG 63 H ARG 63 1.247 6.667 -7.190 433 HA ARG 63 HA ARG 63 1.411 7.855 -9.881 434 HB2 ARG 63 1HB ARG 63 -0.663 8.545 -8.775 435 HB3 ARG 63 2HB ARG 63 0.255 9.113 -7.387 436 HG2 ARG 63 1HG ARG 63 -0.133 11.070 -8.518 437 HG3 ARG 63 2HG ARG 63 1.455 10.616 -9.141 438 HD2 ARG 63 1HD ARG 63 0.432 9.664 -11.125 439 HD3 ARG 63 2HD ARG 63 -1.174 10.017 -10.491 440 HE ARG 63 HE ARG 63 0.274 12.406 -10.591 441 HH11 ARG 63 1HH1 ARG 63 -1.081 10.037 -12.753 442 HH12 ARG 63 2HH1 ARG 63 -1.335 11.167 -14.042 443 HH21 ARG 63 1HH2 ARG 63 -0.056 13.903 -12.280 444 HH22 ARG 63 2HH2 ARG 63 -0.751 13.366 -13.772 445 H ASP 64 H ASP 64 2.956 9.458 -10.204 446 HA ASP 64 HA ASP 64 5.046 9.564 -8.137 447 HB2 ASP 64 1HB ASP 64 6.542 10.253 -10.043 448 HB3 ASP 64 2HB ASP 64 5.896 8.619 -10.164 449 H ASN 65 H ASN 65 4.902 11.346 -6.942 450 HA ASN 65 HA ASN 65 3.736 13.773 -7.965 451 HB2 ASN 65 1HB ASN 65 4.782 12.854 -5.319 452 HB3 ASN 65 2HB ASN 65 4.612 14.583 -5.605 453 HD21 ASN 65 1HD2 ASN 65 3.104 11.928 -4.422 454 HD22 ASN 65 2HD2 ASN 65 1.460 12.444 -4.550 455 H GLY 66 H GLY 66 6.959 12.750 -6.867 456 HA2 GLY 66 1HA GLY 66 8.982 13.442 -7.870 457 HA3 GLY 66 2HA GLY 66 8.131 14.796 -8.599 458 H ASP 67 H ASP 67 6.907 15.199 -5.790 459 HA ASP 67 HA ASP 67 8.961 17.051 -4.917 460 HB2 ASP 67 1HB ASP 67 6.683 17.866 -4.971 461 HB3 ASP 67 2HB ASP 67 6.146 16.547 -3.934 462 H GLY 68 H GLY 68 9.345 14.130 -4.625 463 HA2 GLY 68 1HA GLY 68 10.543 12.901 -3.061 464 HA3 GLY 68 2HA GLY 68 10.278 14.185 -1.892 465 H THR 69 H THR 69 7.519 12.965 -3.544 466 HA THR 69 HA THR 69 6.892 11.062 -1.424 467 HB THR 69 HB THR 69 4.782 12.050 -0.848 468 HG1 THR 69 1HG THR 69 5.396 14.167 -2.657 469 HG21 THR 69 1HG2 THR 69 7.055 12.998 0.064 470 HG22 THR 69 2HG2 THR 69 5.531 13.788 0.468 471 HG23 THR 69 3HG2 THR 69 6.558 14.450 -0.804 472 H TYR 70 H TYR 70 4.642 10.070 -1.881 473 HA TYR 70 HA TYR 70 3.947 10.005 -4.703 474 HB2 TYR 70 1HB TYR 70 4.662 7.433 -3.294 475 HB3 TYR 70 2HB TYR 70 4.284 7.658 -4.998 476 HD1 TYR 70 1HD TYR 70 6.838 8.118 -2.397 477 HD2 TYR 70 2HD TYR 70 5.945 8.479 -6.541 478 HE1 TYR 70 1HE TYR 70 9.233 8.398 -2.883 479 HE2 TYR 70 2HE TYR 70 8.337 8.759 -7.039 480 HH TYR 70 HH TYR 70 10.373 9.113 -6.150 481 H THR 71 H THR 71 1.991 8.692 -5.104 482 HA THR 71 HA THR 71 0.315 8.401 -2.701 483 HB THR 71 HB THR 71 -0.566 9.611 -5.330 484 HG1 THR 71 1HG THR 71 -0.525 10.851 -2.775 485 HG21 THR 71 1HG2 THR 71 -2.077 8.218 -3.430 486 HG22 THR 71 2HG2 THR 71 -2.683 9.257 -4.720 487 HG23 THR 71 3HG2 THR 71 -2.387 9.924 -3.114 488 H VAL 72 H VAL 72 -1.020 6.652 -2.646 489 HA VAL 72 HA VAL 72 -1.209 4.980 -5.054 490 HB VAL 72 HB VAL 72 -0.526 3.961 -2.293 491 HG11 VAL 72 1HG1 VAL 72 -2.076 2.508 -3.599 492 HG12 VAL 72 2HG1 VAL 72 -0.833 2.390 -4.847 493 HG13 VAL 72 3HG1 VAL 72 -0.524 1.758 -3.229 494 HG21 VAL 72 1HG2 VAL 72 1.523 3.114 -3.538 495 HG22 VAL 72 2HG2 VAL 72 1.066 4.223 -4.830 496 HG23 VAL 72 3HG2 VAL 72 1.447 4.848 -3.226 497 H SER 73 H SER 73 -3.100 3.823 -5.282 498 HA SER 73 HA SER 73 -5.124 4.136 -3.172 499 HB2 SER 73 1HB SER 73 -6.819 4.722 -4.792 500 HB3 SER 73 2HB SER 73 -5.464 5.835 -4.979 501 HG SER 73 HG SER 73 -6.547 4.429 -6.857 502 H TYR 74 H TYR 74 -6.682 2.500 -3.055 503 HA TYR 74 HA TYR 74 -6.650 0.301 -4.917 504 HB2 TYR 74 1HB TYR 74 -5.965 -1.410 -3.338 505 HB3 TYR 74 2HB TYR 74 -4.694 -0.200 -3.477 506 HD1 TYR 74 1HD TYR 74 -4.250 1.355 -1.631 507 HD2 TYR 74 2HD TYR 74 -7.170 -1.719 -1.277 508 HE1 TYR 74 1HE TYR 74 -4.263 1.656 0.810 509 HE2 TYR 74 2HE TYR 74 -7.192 -1.426 1.165 510 HH TYR 74 HH TYR 74 -4.843 0.219 2.839 511 H LEU 75 H LEU 75 -8.392 -1.141 -4.628 512 HA LEU 75 HA LEU 75 -10.423 -0.211 -2.706 513 HB2 LEU 75 1HB LEU 75 -11.101 0.334 -4.944 514 HB3 LEU 75 2HB LEU 75 -10.763 -1.307 -5.491 515 HG LEU 75 HG LEU 75 -12.614 -1.897 -3.689 516 HD11 LEU 75 1HD1 LEU 75 -13.813 0.642 -4.634 517 HD12 LEU 75 2HD1 LEU 75 -12.671 0.730 -3.293 518 HD13 LEU 75 3HD1 LEU 75 -14.112 -0.277 -3.158 519 HD21 LEU 75 1HD2 LEU 75 -12.495 -2.051 -6.320 520 HD22 LEU 75 2HD2 LEU 75 -13.673 -0.743 -6.217 521 HD23 LEU 75 3HD2 LEU 75 -14.010 -2.297 -5.452 522 HA PRO 76 HA PRO 76 -9.602 -4.467 -1.348 523 HB2 PRO 76 1HB PRO 76 -10.565 -4.069 1.159 524 HB3 PRO 76 2HB PRO 76 -8.928 -3.612 0.675 525 HG2 PRO 76 1HG PRO 76 -11.376 -1.907 0.919 526 HG3 PRO 76 2HG PRO 76 -9.715 -1.559 1.432 527 HD2 PRO 76 1HD PRO 76 -10.771 -0.569 -0.857 528 HD3 PRO 76 2HD PRO 76 -9.048 -0.968 -0.694 529 H ASP 77 H ASP 77 -11.339 -5.023 -2.901 530 HA ASP 77 HA ASP 77 -14.041 -4.801 -2.547 531 HB2 ASP 77 1HB ASP 77 -13.204 -5.817 -4.541 532 HB3 ASP 77 2HB ASP 77 -12.439 -7.118 -3.632 533 H MET 78 H MET 78 -12.104 -7.580 -1.415 534 HA MET 78 HA MET 78 -14.258 -8.515 0.248 535 HB2 MET 78 1HB MET 78 -11.393 -9.421 -0.057 536 HB3 MET 78 2HB MET 78 -12.562 -10.214 0.990 537 HG2 MET 78 1HG MET 78 -13.134 -9.821 -1.918 538 HG3 MET 78 2HG MET 78 -12.136 -11.162 -1.363 539 HE1 MET 78 1HE MET 78 -14.875 -12.040 -2.950 540 HE2 MET 78 2HE MET 78 -13.463 -12.886 -2.319 541 HE3 MET 78 3HE MET 78 -15.083 -13.396 -1.842 542 H SER 79 H SER 79 -13.604 -9.167 2.592 543 HA SER 79 HA SER 79 -12.357 -6.817 3.861 544 HB2 SER 79 1HB SER 79 -13.879 -7.200 5.775 545 HB3 SER 79 2HB SER 79 -14.763 -6.876 4.284 546 HG SER 79 HG SER 79 -15.439 -8.913 4.216 547 H GLY 80 H GLY 80 -11.113 -7.152 5.743 548 HA2 GLY 80 1HA GLY 80 -10.500 -9.012 7.398 549 HA3 GLY 80 2HA GLY 80 -10.052 -9.894 5.945 550 H ARG 81 H ARG 81 -7.928 -10.041 6.922 551 HA ARG 81 HA ARG 81 -6.393 -7.606 7.209 552 HB2 ARG 81 1HB ARG 81 -6.184 -9.825 8.570 553 HB3 ARG 81 2HB ARG 81 -5.196 -10.355 7.215 554 HG2 ARG 81 1HG ARG 81 -3.892 -8.161 7.607 555 HG3 ARG 81 2HG ARG 81 -4.674 -8.175 9.189 556 HD2 ARG 81 1HD ARG 81 -3.116 -10.503 8.085 557 HD3 ARG 81 2HD ARG 81 -2.397 -9.245 9.090 558 HE ARG 81 HE ARG 81 -4.516 -10.103 10.553 559 HH11 ARG 81 1HH1 ARG 81 -1.812 -11.696 9.046 560 HH12 ARG 81 2HH1 ARG 81 -1.743 -12.971 10.217 561 HH21 ARG 81 1HH2 ARG 81 -4.435 -11.776 12.101 562 HH22 ARG 81 2HH2 ARG 81 -3.236 -13.016 11.954 563 H TYR 82 H TYR 82 -5.546 -6.599 5.520 564 HA TYR 82 HA TYR 82 -4.991 -8.107 3.073 565 HB2 TYR 82 1HB TYR 82 -5.513 -5.232 3.695 566 HB3 TYR 82 2HB TYR 82 -4.570 -5.624 2.262 567 HD1 TYR 82 2HD TYR 82 -7.848 -6.120 3.905 568 HD2 TYR 82 1HD TYR 82 -5.612 -6.445 0.299 569 HE1 TYR 82 2HE TYR 82 -9.927 -6.543 2.660 570 HE2 TYR 82 1HE TYR 82 -7.685 -6.868 -0.955 571 HH TYR 82 HH TYR 82 -9.936 -6.829 -0.859 572 H THR 83 H THR 83 -2.989 -8.292 2.189 573 HA THR 83 HA THR 83 -0.744 -7.438 3.873 574 HB THR 83 HB THR 83 -0.667 -9.418 1.593 575 HG1 THR 83 1HG THR 83 -0.543 -10.889 3.569 576 HG21 THR 83 1HG2 THR 83 1.454 -10.038 2.391 577 HG22 THR 83 2HG2 THR 83 1.214 -9.211 3.930 578 HG23 THR 83 3HG2 THR 83 1.460 -8.277 2.455 579 H ILE 84 H ILE 84 -0.118 -5.441 3.274 580 HA ILE 84 HA ILE 84 0.121 -4.822 0.418 581 HB ILE 84 HB ILE 84 0.407 -2.943 2.763 582 HG12 ILE 84 1HG1 ILE 84 -1.974 -3.393 0.951 583 HG13 ILE 84 2HG1 ILE 84 -1.860 -3.925 2.625 584 HG21 ILE 84 1HG2 ILE 84 0.148 -1.186 1.095 585 HG22 ILE 84 2HG2 ILE 84 1.536 -2.207 0.723 586 HG23 ILE 84 3HG2 ILE 84 0.033 -2.400 -0.179 587 HD11 ILE 84 1HD1 ILE 84 -2.397 -1.259 1.517 588 HD12 ILE 84 2HD1 ILE 84 -2.951 -2.006 3.016 589 HD13 ILE 84 3HD1 ILE 84 -1.335 -1.306 2.924 590 H THR 85 H THR 85 2.021 -5.430 -0.400 591 HA THR 85 HA THR 85 4.446 -5.158 1.220 592 HB THR 85 HB THR 85 4.147 -6.488 -1.479 593 HG1 THR 85 1HG THR 85 4.392 -7.847 0.991 594 HG21 THR 85 1HG2 THR 85 6.415 -5.804 0.115 595 HG22 THR 85 2HG2 THR 85 6.367 -6.658 -1.427 596 HG23 THR 85 3HG2 THR 85 6.253 -7.559 0.084 597 H ILE 86 H ILE 86 5.500 -3.297 1.046 598 HA ILE 86 HA ILE 86 5.531 -1.933 -1.565 599 HB ILE 86 HB ILE 86 5.947 -0.716 1.168 600 HG12 ILE 86 1HG1 ILE 86 3.611 -0.401 -0.727 601 HG13 ILE 86 2HG1 ILE 86 3.606 -1.456 0.681 602 HG21 ILE 86 1HG2 ILE 86 5.994 1.408 0.061 603 HG22 ILE 86 2HG2 ILE 86 7.190 0.359 -0.700 604 HG23 ILE 86 3HG2 ILE 86 5.645 0.657 -1.496 605 HD11 ILE 86 1HD1 ILE 86 3.048 0.227 1.998 606 HD12 ILE 86 2HD1 ILE 86 4.414 1.189 1.432 607 HD13 ILE 86 3HD1 ILE 86 2.882 1.234 0.560 608 H LYS 87 H LYS 87 7.402 -1.898 -2.606 609 HA LYS 87 HA LYS 87 9.895 -2.064 -1.049 610 HB2 LYS 87 1HB LYS 87 9.194 -3.535 -3.591 611 HB3 LYS 87 2HB LYS 87 10.835 -3.397 -2.975 612 HG2 LYS 87 1HG LYS 87 9.913 -4.424 -0.820 613 HG3 LYS 87 2HG LYS 87 8.506 -4.863 -1.792 614 HD2 LYS 87 1HD LYS 87 10.113 -5.959 -3.402 615 HD3 LYS 87 2HD LYS 87 11.368 -5.717 -2.185 616 HE2 LYS 87 1HE LYS 87 10.667 -7.852 -1.691 617 HE3 LYS 87 2HE LYS 87 9.654 -6.899 -0.607 618 HZ1 LYS 87 1HZ LYS 87 8.917 -8.415 -2.986 619 HZ2 LYS 87 2HZ LYS 87 8.083 -6.968 -2.717 620 HZ3 LYS 87 3HZ LYS 87 8.065 -8.185 -1.543 621 H TYR 88 H TYR 88 11.522 -0.725 -1.662 622 HA TYR 88 HA TYR 88 10.923 1.129 -3.864 623 HB2 TYR 88 1HB TYR 88 11.242 1.977 -1.464 624 HB3 TYR 88 2HB TYR 88 12.947 1.597 -1.681 625 HD1 TYR 88 1HD TYR 88 10.167 3.682 -2.960 626 HD2 TYR 88 2HD TYR 88 14.373 3.044 -2.896 627 HE1 TYR 88 1HE TYR 88 10.508 5.867 -4.035 628 HE2 TYR 88 2HE TYR 88 14.726 5.229 -3.971 629 HH TYR 88 HH TYR 88 13.479 7.405 -4.170 630 H GLY 89 H GLY 89 12.096 1.003 -5.656 631 HA2 GLY 89 1HA GLY 89 13.660 0.108 -7.121 632 HA3 GLY 89 2HA GLY 89 14.752 0.963 -6.042 633 H GLY 90 H GLY 90 12.854 -1.803 -5.032 634 HA2 GLY 90 1HA GLY 90 13.524 -4.054 -4.850 635 HA3 GLY 90 2HA GLY 90 15.153 -3.582 -5.309 636 H ASP 91 H ASP 91 13.152 -2.163 -2.767 637 HA ASP 91 HA ASP 91 14.748 -3.458 -0.705 638 HB2 ASP 91 1HB ASP 91 15.844 -1.241 -1.490 639 HB3 ASP 91 2HB ASP 91 14.517 -0.463 -0.632 640 H GLU 92 H GLU 92 13.160 -4.341 0.458 641 HA GLU 92 HA GLU 92 10.564 -3.220 0.713 642 HB2 GLU 92 1HB GLU 92 11.137 -5.663 0.898 643 HB3 GLU 92 2HB GLU 92 11.823 -5.321 2.480 644 HG2 GLU 92 1HG GLU 92 9.507 -4.324 3.018 645 HG3 GLU 92 2HG GLU 92 8.967 -5.229 1.606 646 H ILE 93 H ILE 93 9.780 -1.792 2.125 647 HA ILE 93 HA ILE 93 11.470 -0.336 3.846 648 HB ILE 93 HB ILE 93 9.312 0.610 4.764 649 HG12 ILE 93 1HG1 ILE 93 8.077 -1.081 2.582 650 HG13 ILE 93 2HG1 ILE 93 7.961 -1.443 4.300 651 HG21 ILE 93 1HG2 ILE 93 8.740 1.194 2.095 652 HG22 ILE 93 2HG2 ILE 93 9.798 2.092 3.182 653 HG23 ILE 93 3HG2 ILE 93 10.467 0.838 2.137 654 HD11 ILE 93 1HD1 ILE 93 7.065 1.213 3.290 655 HD12 ILE 93 2HD1 ILE 93 6.030 -0.202 3.098 656 HD13 ILE 93 3HD1 ILE 93 6.534 0.310 4.708 657 HA PRO 94 HA PRO 94 11.481 -2.641 7.585 658 HB2 PRO 94 1HB PRO 94 11.621 -0.641 9.415 659 HB3 PRO 94 2HB PRO 94 12.983 -1.097 8.384 660 HG2 PRO 94 1HG PRO 94 11.036 1.155 8.065 661 HG3 PRO 94 2HG PRO 94 12.794 1.155 7.835 662 HD2 PRO 94 1HD PRO 94 11.054 1.007 5.766 663 HD3 PRO 94 2HD PRO 94 12.646 0.220 5.733 664 H TYR 95 H TYR 95 8.858 -0.914 6.583 665 HA TYR 95 HA TYR 95 7.320 -1.412 9.038 666 HB2 TYR 95 1HB TYR 95 6.841 0.406 6.682 667 HB3 TYR 95 2HB TYR 95 5.576 0.030 7.845 668 HD1 TYR 95 1HD TYR 95 9.008 1.442 7.585 669 HD2 TYR 95 2HD TYR 95 5.401 1.249 9.832 670 HE1 TYR 95 1HE TYR 95 9.832 3.238 9.050 671 HE2 TYR 95 2HE TYR 95 6.215 3.045 11.303 672 HH TYR 95 HH TYR 95 8.942 3.868 11.864 673 H SER 96 H SER 96 7.830 -2.519 5.853 674 HA SER 96 HA SER 96 5.237 -3.819 5.643 675 HB2 SER 96 1HB SER 96 5.803 -3.206 3.513 676 HB3 SER 96 2HB SER 96 7.534 -3.338 3.821 677 HG SER 96 HG SER 96 7.483 -5.425 3.342 678 HA PRO 97 HA PRO 97 4.614 -5.632 4.240 679 HB2 PRO 97 1HB PRO 97 2.932 -7.531 5.207 680 HB3 PRO 97 2HB PRO 97 4.229 -7.890 4.060 681 HG2 PRO 97 1HG PRO 97 4.174 -8.250 7.032 682 HG3 PRO 97 2HG PRO 97 4.797 -9.344 5.784 683 HD2 PRO 97 1HD PRO 97 6.411 -7.745 7.256 684 HD3 PRO 97 2HD PRO 97 6.777 -8.183 5.575 685 H PHE 98 H PHE 98 2.793 -4.410 4.487 686 HA PHE 98 HA PHE 98 2.299 -3.326 7.127 687 HB2 PHE 98 1HB PHE 98 1.608 -2.571 4.340 688 HB3 PHE 98 2HB PHE 98 0.495 -2.051 5.601 689 HD1 PHE 98 2HD PHE 98 1.904 -1.145 7.780 690 HD2 PHE 98 1HD PHE 98 3.121 -0.986 3.704 691 HE1 PHE 98 2HE PHE 98 3.380 0.754 8.298 692 HE2 PHE 98 1HE PHE 98 4.600 0.913 4.216 693 HZ PHE 98 HZ PHE 98 4.730 1.786 6.516 694 H ARG 99 H ARG 99 1.076 -4.548 8.426 695 HA ARG 99 HA ARG 99 -1.056 -6.197 7.408 696 HB2 ARG 99 1HB ARG 99 -0.233 -5.582 10.253 697 HB3 ARG 99 2HB ARG 99 -1.400 -6.807 9.773 698 HG2 ARG 99 1HG ARG 99 0.509 -7.803 8.382 699 HG3 ARG 99 2HG ARG 99 1.563 -6.773 9.354 700 HD2 ARG 99 1HD ARG 99 -0.419 -8.700 10.544 701 HD3 ARG 99 2HD ARG 99 1.252 -9.135 10.187 702 HE ARG 99 HE ARG 99 1.190 -6.794 11.756 703 HH11 ARG 99 1HH1 ARG 99 0.623 -10.222 11.976 704 HH12 ARG 99 2HH1 ARG 99 1.024 -10.312 13.659 705 HH21 ARG 99 1HH2 ARG 99 1.720 -6.900 13.972 706 HH22 ARG 99 2HH2 ARG 99 1.647 -8.422 14.794 707 H ILE 100 H ILE 100 -2.770 -5.079 6.657 708 HA ILE 100 HA ILE 100 -3.963 -3.053 8.434 709 HB ILE 100 HB ILE 100 -4.500 -3.293 5.480 710 HG12 ILE 100 1HG1 ILE 100 -2.079 -2.894 5.884 711 HG13 ILE 100 2HG1 ILE 100 -2.873 -1.536 5.094 712 HG21 ILE 100 1HG2 ILE 100 -5.053 -1.229 7.587 713 HG22 ILE 100 2HG2 ILE 100 -5.069 -0.830 5.870 714 HG23 ILE 100 3HG2 ILE 100 -6.188 -2.036 6.505 715 HD11 ILE 100 1HD1 ILE 100 -2.766 -1.417 8.029 716 HD12 ILE 100 2HD1 ILE 100 -1.220 -1.293 7.190 717 HD13 ILE 100 3HD1 ILE 100 -2.515 -0.153 6.825 718 H HIS 101 H HIS 101 -6.160 -3.114 8.854 719 HA HIS 101 HA HIS 101 -7.497 -5.636 8.129 720 HB2 HIS 101 1HB HIS 101 -6.963 -4.900 10.618 721 HB3 HIS 101 2HB HIS 101 -8.440 -3.963 10.416 722 HD1 HIS 101 1HD HIS 101 -7.407 -7.070 11.685 723 HD2 HIS 101 2HD HIS 101 -10.578 -5.867 9.286 724 HE1 HIS 101 1HE HIS 101 -9.128 -8.892 11.883 725 HE2 HIS 101 2HE HIS 101 -11.002 -8.183 10.356 726 H ALA 102 H ALA 102 -9.413 -5.590 7.100 727 HA ALA 102 HA ALA 102 -10.581 -2.940 6.553 728 HB1 ALA 102 1HB ALA 102 -11.627 -4.376 4.583 729 HB2 ALA 102 2HB ALA 102 -10.030 -3.637 4.458 730 HB3 ALA 102 3HB ALA 102 -10.181 -5.346 4.864 731 H LEU 103 H LEU 103 -12.445 -2.556 7.536 732 HA LEU 103 HA LEU 103 -14.052 -4.795 8.507 733 HB2 LEU 103 1HB LEU 103 -14.464 -1.863 9.039 734 HB3 LEU 103 2HB LEU 103 -15.152 -3.224 9.923 735 HG LEU 103 HG LEU 103 -12.190 -2.742 9.862 736 HD11 LEU 103 1HD1 LEU 103 -14.052 -1.657 11.959 737 HD12 LEU 103 2HD1 LEU 103 -13.430 -0.687 10.625 738 HD13 LEU 103 3HD1 LEU 103 -12.316 -1.389 11.798 739 HD21 LEU 103 1HD2 LEU 103 -13.721 -3.880 12.144 740 HD22 LEU 103 2HD2 LEU 103 -12.086 -4.237 11.588 741 HD23 LEU 103 3HD2 LEU 103 -13.476 -4.879 10.712 742 HA PRO 104 HA PRO 104 -17.021 -4.369 5.275 743 HB2 PRO 104 1HB PRO 104 -19.102 -5.627 6.483 744 HB3 PRO 104 2HB PRO 104 -17.702 -6.490 5.836 745 HG2 PRO 104 1HG PRO 104 -18.298 -5.695 8.659 746 HG3 PRO 104 2HG PRO 104 -17.647 -7.224 8.042 747 HD2 PRO 104 1HD PRO 104 -16.079 -5.315 9.150 748 HD3 PRO 104 2HD PRO 104 -15.510 -6.383 7.850 749 H THR 105 H THR 105 -17.422 -2.158 5.190 750 HA THR 105 HA THR 105 -18.774 -0.639 7.105 751 HB THR 105 HB THR 105 -17.552 0.486 5.374 752 HG1 THR 105 1HG THR 105 -19.990 1.314 4.461 753 HG21 THR 105 1HG2 THR 105 -18.264 -1.391 3.665 754 HG22 THR 105 2HG2 THR 105 -17.841 0.228 3.109 755 HG23 THR 105 3HG2 THR 105 -19.535 -0.236 3.268 756 H GLY 106 H GLY 106 -19.984 -2.597 4.438 757 HA2 GLY 106 1HA GLY 106 -22.275 -3.534 5.181 758 HA3 GLY 106 2HA GLY 106 -22.738 -1.839 5.143 759 H ASP 107 H ASP 107 -20.696 -3.717 2.925 760 HA ASP 107 HA ASP 107 -20.692 -3.632 0.612 761 HB2 ASP 107 1HB ASP 107 -23.346 -4.805 1.429 762 HB3 ASP 107 2HB ASP 107 -22.825 -4.764 -0.253 763 H ALA 108 H ALA 108 -21.221 -1.076 1.529 764 HA ALA 108 HA ALA 108 -23.429 0.306 0.882 765 HB1 ALA 108 1HB ALA 108 -22.130 2.127 0.980 766 HB2 ALA 108 2HB ALA 108 -20.829 0.993 1.345 767 HB3 ALA 108 3HB ALA 108 -21.069 1.558 -0.309 768 H SER 109 H SER 109 -20.995 -0.746 -1.490 769 HA SER 109 HA SER 109 -22.946 -1.140 -3.521 770 HB2 SER 109 1HB SER 109 -21.369 1.405 -3.517 771 HB3 SER 109 2HB SER 109 -21.744 0.632 -5.057 772 HG SER 109 HG SER 109 -23.774 1.173 -4.838 773 H SER 110 H SER 110 -22.040 -2.002 -5.477 774 HA SER 110 HA SER 110 -19.719 -3.588 -4.997 775 HB2 SER 110 1HB SER 110 -21.684 -3.279 -7.213 776 HB3 SER 110 2HB SER 110 -20.123 -3.998 -7.608 777 HG SER 110 HG SER 110 -20.520 -5.494 -5.874 778 H GLY 111 H GLY 111 -17.905 -2.338 -4.754 779 HA2 GLY 111 1HA GLY 111 -16.072 -1.115 -5.396 780 HA3 GLY 111 2HA GLY 111 -16.475 -1.591 -7.039 781 HA PRO 112 HA PRO 112 -18.752 2.604 -6.185 782 HB2 PRO 112 1HB PRO 112 -17.960 3.952 -3.965 783 HB3 PRO 112 2HB PRO 112 -19.302 2.802 -3.963 784 HG2 PRO 112 1HG PRO 112 -16.466 2.406 -3.091 785 HG3 PRO 112 2HG PRO 112 -17.962 1.866 -2.308 786 HD2 PRO 112 1HD PRO 112 -16.423 0.215 -3.804 787 HD3 PRO 112 2HD PRO 112 -18.189 0.050 -3.709 788 H SER 113 H SER 113 -18.067 4.511 -7.082 789 HA SER 113 HA SER 113 -15.215 5.178 -6.912 790 HB2 SER 113 1HB SER 113 -16.808 4.839 -9.460 791 HB3 SER 113 2HB SER 113 -15.247 5.657 -9.389 792 HG SER 113 HG SER 113 -14.393 3.754 -9.517 793 H SER 114 H SER 114 -15.272 7.106 -5.946 794 HA SER 114 HA SER 114 -16.993 9.180 -7.126 795 HB2 SER 114 1HB SER 114 -17.579 10.046 -4.988 796 HB3 SER 114 2HB SER 114 -17.835 8.304 -4.886 797 HG SER 114 HG SER 114 -16.684 9.205 -3.078 798 H GLY 115 H GLY 115 -15.936 10.961 -7.722 799 HA2 GLY 115 1HA GLY 115 -13.411 11.638 -6.384 800 HA3 GLY 115 2HA GLY 115 -13.412 11.438 -8.129 Start of MODEL 20 1 H1 GLY 1 H GLY 1 21.678 1.208 -18.044 2 HA2 GLY 1 1HA GLY 1 20.236 -0.634 -18.424 3 HA3 GLY 1 2HA GLY 1 21.691 -1.376 -17.776 4 H SER 2 H SER 2 20.781 -3.079 -16.721 5 HA SER 2 HA SER 2 18.538 -2.665 -14.931 6 HB2 SER 2 1HB SER 2 19.082 -4.756 -16.446 7 HB3 SER 2 2HB SER 2 20.054 -5.243 -15.058 8 HG SER 2 HG SER 2 18.138 -4.987 -13.779 9 H SER 3 H SER 3 18.722 -2.171 -12.856 10 HA SER 3 HA SER 3 21.036 -1.561 -11.531 11 HB2 SER 3 1HB SER 3 18.530 -2.667 -10.242 12 HB3 SER 3 2HB SER 3 19.762 -1.683 -9.453 13 HG SER 3 HG SER 3 17.836 -0.944 -11.355 14 H GLY 4 H GLY 4 22.250 -2.601 -9.857 15 HA2 GLY 4 1HA GLY 4 21.995 -5.494 -9.607 16 HA3 GLY 4 2HA GLY 4 23.473 -4.907 -10.354 17 H SER 5 H SER 5 24.880 -5.555 -8.773 18 HA SER 5 HA SER 5 24.694 -5.583 -6.088 19 HB2 SER 5 1HB SER 5 27.044 -4.687 -7.763 20 HB3 SER 5 2HB SER 5 27.155 -4.968 -6.025 21 HG SER 5 HG SER 5 27.511 -6.752 -7.808 22 H SER 6 H SER 6 25.600 -2.703 -7.972 23 HA SER 6 HA SER 6 25.949 -0.912 -5.896 24 HB2 SER 6 1HB SER 6 24.848 -0.445 -8.674 25 HB3 SER 6 2HB SER 6 25.296 0.853 -7.567 26 HG SER 6 HG SER 6 27.276 0.568 -8.170 27 H GLY 7 H GLY 7 24.585 0.701 -4.975 28 HA2 GLY 7 1HA GLY 7 21.836 0.947 -5.371 29 HA3 GLY 7 2HA GLY 7 22.068 -0.280 -4.135 30 H ALA 8 H ALA 8 21.550 2.936 -4.632 31 HA ALA 8 HA ALA 8 22.694 3.626 -2.003 32 HB1 ALA 8 1HB ALA 8 22.587 5.226 -4.533 33 HB2 ALA 8 2HB ALA 8 22.691 6.019 -2.960 34 HB3 ALA 8 3HB ALA 8 23.960 4.907 -3.473 35 H HIS 9 H HIS 9 20.137 2.505 -2.326 36 HA HIS 9 HA HIS 9 18.379 4.810 -1.798 37 HB2 HIS 9 1HB HIS 9 16.499 3.264 -2.370 38 HB3 HIS 9 2HB HIS 9 17.589 3.584 -3.715 39 HD1 HIS 9 1HD HIS 9 18.842 1.612 -4.706 40 HD2 HIS 9 2HD HIS 9 16.675 0.631 -1.300 41 HE1 HIS 9 1HE HIS 9 18.883 -0.900 -4.583 42 HE2 HIS 9 2HE HIS 9 17.494 -1.473 -2.562 43 H ASP 10 H ASP 10 17.031 4.773 -0.003 44 HA ASP 10 HA ASP 10 17.501 2.600 1.926 45 HB2 ASP 10 1HB ASP 10 17.771 5.551 2.294 46 HB3 ASP 10 2HB ASP 10 17.169 4.591 3.642 47 H ALA 11 H ALA 11 15.569 1.576 1.713 48 HA ALA 11 HA ALA 11 13.077 2.785 1.323 49 HB1 ALA 11 1HB ALA 11 13.845 0.285 1.165 50 HB2 ALA 11 2HB ALA 11 13.271 0.222 2.832 51 HB3 ALA 11 3HB ALA 11 12.168 0.688 1.537 52 H SER 12 H SER 12 14.888 2.117 4.247 53 HA SER 12 HA SER 12 12.867 2.400 6.146 54 HB2 SER 12 1HB SER 12 15.349 1.711 6.445 55 HB3 SER 12 2HB SER 12 15.650 3.440 6.620 56 HG SER 12 HG SER 12 14.098 3.426 8.331 57 H LYS 13 H LYS 13 14.278 4.724 4.077 58 HA LYS 13 HA LYS 13 13.519 6.992 5.733 59 HB2 LYS 13 1HB LYS 13 14.716 6.883 2.957 60 HB3 LYS 13 2HB LYS 13 14.451 8.350 3.890 61 HG2 LYS 13 1HG LYS 13 16.148 6.116 4.941 62 HG3 LYS 13 2HG LYS 13 16.801 7.349 3.860 63 HD2 LYS 13 1HD LYS 13 15.890 9.062 5.491 64 HD3 LYS 13 2HD LYS 13 15.613 7.718 6.602 65 HE2 LYS 13 1HE LYS 13 18.092 7.152 6.185 66 HE3 LYS 13 2HE LYS 13 18.207 8.790 5.545 67 HZ1 LYS 13 1HZ LYS 13 17.933 9.707 7.582 68 HZ2 LYS 13 2HZ LYS 13 18.619 8.243 8.079 69 HZ3 LYS 13 3HZ LYS 13 16.943 8.460 8.155 70 H VAL 14 H VAL 14 11.585 5.023 4.452 71 HA VAL 14 HA VAL 14 10.021 6.917 2.834 72 HB VAL 14 HB VAL 14 9.728 3.920 3.095 73 HG11 VAL 14 1HG1 VAL 14 7.886 5.916 2.209 74 HG12 VAL 14 2HG1 VAL 14 8.365 4.914 0.837 75 HG13 VAL 14 3HG1 VAL 14 7.679 4.167 2.281 76 HG21 VAL 14 1HG2 VAL 14 10.565 3.815 0.831 77 HG22 VAL 14 2HG2 VAL 14 10.684 5.573 0.759 78 HG23 VAL 14 3HG2 VAL 14 11.730 4.662 1.848 79 H ARG 15 H ARG 15 8.373 7.908 3.776 80 HA ARG 15 HA ARG 15 7.330 6.869 6.300 81 HB2 ARG 15 1HB ARG 15 7.407 9.532 4.980 82 HB3 ARG 15 2HB ARG 15 6.040 9.199 6.036 83 HG2 ARG 15 1HG ARG 15 8.762 8.607 7.058 84 HG3 ARG 15 2HG ARG 15 8.264 10.295 6.933 85 HD2 ARG 15 1HD ARG 15 6.107 9.436 8.135 86 HD3 ARG 15 2HD ARG 15 7.152 8.104 8.628 87 HE ARG 15 HE ARG 15 7.279 10.851 9.527 88 HH11 ARG 15 1HH1 ARG 15 8.912 7.785 9.284 89 HH12 ARG 15 2HH1 ARG 15 10.003 8.115 10.589 90 HH21 ARG 15 1HH2 ARG 15 8.710 11.296 11.247 91 HH22 ARG 15 2HH2 ARG 15 9.886 10.112 11.706 92 H ALA 16 H ALA 16 5.497 5.762 6.373 93 HA ALA 16 HA ALA 16 3.625 5.991 4.111 94 HB1 ALA 16 1HB ALA 16 4.812 3.728 5.292 95 HB2 ALA 16 2HB ALA 16 3.101 3.687 5.719 96 HB3 ALA 16 3HB ALA 16 3.585 3.775 4.026 97 H SER 17 H SER 17 1.775 6.993 4.511 98 HA SER 17 HA SER 17 0.385 6.599 7.022 99 HB2 SER 17 1HB SER 17 1.629 9.206 6.238 100 HB3 SER 17 2HB SER 17 0.092 9.217 7.101 101 HG SER 17 HG SER 17 2.597 8.683 8.023 102 H GLY 18 H GLY 18 -1.777 7.738 6.990 103 HA2 GLY 18 1HA GLY 18 -3.368 8.901 5.448 104 HA3 GLY 18 2HA GLY 18 -2.803 7.781 4.218 105 HA PRO 19 HA PRO 19 -6.633 6.114 6.362 106 HB2 PRO 19 1HB PRO 19 -8.171 5.957 4.131 107 HB3 PRO 19 2HB PRO 19 -8.095 7.402 5.145 108 HG2 PRO 19 1HG PRO 19 -6.678 6.815 2.574 109 HG3 PRO 19 2HG PRO 19 -7.474 8.311 3.097 110 HD2 PRO 19 1HD PRO 19 -4.790 7.974 3.209 111 HD3 PRO 19 2HD PRO 19 -5.678 8.967 4.383 112 H GLY 20 H GLY 20 -5.285 5.342 3.159 113 HA2 GLY 20 1HA GLY 20 -6.168 2.688 3.011 114 HA3 GLY 20 2HA GLY 20 -4.765 3.335 2.175 115 H LEU 21 H LEU 21 -3.405 4.086 4.654 116 HA LEU 21 HA LEU 21 -2.486 1.402 5.407 117 HB2 LEU 21 1HB LEU 21 -1.120 4.064 5.773 118 HB3 LEU 21 2HB LEU 21 -0.429 2.481 6.122 119 HG LEU 21 HG LEU 21 -1.237 3.398 3.365 120 HD11 LEU 21 1HD1 LEU 21 1.056 3.867 2.928 121 HD12 LEU 21 2HD1 LEU 21 1.543 3.272 4.514 122 HD13 LEU 21 3HD1 LEU 21 0.601 4.757 4.381 123 HD21 LEU 21 1HD2 LEU 21 -0.954 0.876 4.179 124 HD22 LEU 21 2HD2 LEU 21 0.741 1.251 3.866 125 HD23 LEU 21 3HD2 LEU 21 -0.453 1.420 2.578 126 H ASN 22 H ASN 22 -4.866 2.524 6.557 127 HA ASN 22 HA ASN 22 -4.235 3.517 9.176 128 HB2 ASN 22 1HB ASN 22 -6.355 4.022 7.872 129 HB3 ASN 22 2HB ASN 22 -6.881 2.387 8.260 130 HD21 ASN 22 1HD2 ASN 22 -8.135 2.236 9.960 131 HD22 ASN 22 2HD2 ASN 22 -8.152 3.305 11.318 132 H ALA 23 H ALA 23 -3.586 2.330 10.834 133 HA ALA 23 HA ALA 23 -3.706 -0.549 10.737 134 HB1 ALA 23 1HB ALA 23 -1.999 1.277 11.902 135 HB2 ALA 23 2HB ALA 23 -2.864 0.587 13.276 136 HB3 ALA 23 3HB ALA 23 -1.993 -0.468 12.163 137 H SER 24 H SER 24 -5.568 1.998 12.119 138 HA SER 24 HA SER 24 -6.764 0.474 14.221 139 HB2 SER 24 1HB SER 24 -7.204 3.156 12.999 140 HB3 SER 24 2HB SER 24 -8.537 2.445 13.908 141 HG SER 24 HG SER 24 -5.896 2.708 14.909 142 H GLY 25 H GLY 25 -7.308 0.797 10.834 143 HA2 GLY 25 1HA GLY 25 -8.674 -1.196 10.034 144 HA3 GLY 25 2HA GLY 25 -9.918 -0.556 11.097 145 H ILE 26 H ILE 26 -9.525 -0.930 8.052 146 HA ILE 26 HA ILE 26 -10.314 1.807 7.292 147 HB ILE 26 HB ILE 26 -9.634 1.222 4.987 148 HG12 ILE 26 1HG1 ILE 26 -8.165 -1.159 6.052 149 HG13 ILE 26 2HG1 ILE 26 -9.859 -1.330 5.603 150 HG21 ILE 26 1HG2 ILE 26 -7.215 1.325 5.377 151 HG22 ILE 26 2HG2 ILE 26 -8.098 2.422 6.437 152 HG23 ILE 26 3HG2 ILE 26 -7.476 0.897 7.067 153 HD11 ILE 26 1HD1 ILE 26 -7.586 -1.412 3.940 154 HD12 ILE 26 2HD1 ILE 26 -9.285 -1.545 3.483 155 HD13 ILE 26 3HD1 ILE 26 -8.500 0.034 3.512 156 HA PRO 27 HA PRO 27 -14.317 0.272 6.292 157 HB2 PRO 27 1HB PRO 27 -15.073 2.170 4.504 158 HB3 PRO 27 2HB PRO 27 -14.983 2.470 6.244 159 HG2 PRO 27 1HG PRO 27 -13.012 3.156 4.097 160 HG3 PRO 27 2HG PRO 27 -13.559 4.138 5.469 161 HD2 PRO 27 1HD PRO 27 -11.201 2.807 5.479 162 HD3 PRO 27 2HD PRO 27 -12.153 3.074 6.954 163 H ALA 28 H ALA 28 -14.350 -1.589 5.160 164 HA ALA 28 HA ALA 28 -13.100 -1.995 2.661 165 HB1 ALA 28 1HB ALA 28 -14.795 -4.014 2.658 166 HB2 ALA 28 2HB ALA 28 -13.413 -3.978 3.753 167 HB3 ALA 28 3HB ALA 28 -15.014 -3.531 4.340 168 H SER 29 H SER 29 -14.228 -2.616 0.648 169 HA SER 29 HA SER 29 -15.590 -2.131 -1.109 170 HB2 SER 29 1HB SER 29 -17.612 -1.591 1.080 171 HB3 SER 29 2HB SER 29 -17.993 -1.735 -0.636 172 HG SER 29 HG SER 29 -18.041 -3.673 0.981 173 H LEU 30 H LEU 30 -13.852 -0.133 -0.303 174 HA LEU 30 HA LEU 30 -15.167 2.182 -1.408 175 HB2 LEU 30 1HB LEU 30 -15.732 2.453 0.928 176 HB3 LEU 30 2HB LEU 30 -14.045 2.238 1.389 177 HG LEU 30 HG LEU 30 -13.758 4.370 -0.183 178 HD11 LEU 30 1HD1 LEU 30 -15.571 5.852 -0.152 179 HD12 LEU 30 2HD1 LEU 30 -16.455 4.885 1.028 180 HD13 LEU 30 3HD1 LEU 30 -16.267 4.302 -0.626 181 HD21 LEU 30 1HD2 LEU 30 -14.643 4.332 2.697 182 HD22 LEU 30 2HD2 LEU 30 -13.982 5.752 1.886 183 HD23 LEU 30 3HD2 LEU 30 -12.991 4.305 2.078 184 HA PRO 31 HA PRO 31 -11.116 2.620 -3.093 185 HB2 PRO 31 1HB PRO 31 -11.361 5.148 -4.051 186 HB3 PRO 31 2HB PRO 31 -12.127 3.752 -4.818 187 HG2 PRO 31 1HG PRO 31 -13.312 5.782 -2.964 188 HG3 PRO 31 2HG PRO 31 -13.995 5.086 -4.445 189 HD2 PRO 31 1HD PRO 31 -14.709 4.241 -1.973 190 HD3 PRO 31 2HD PRO 31 -14.666 3.156 -3.377 191 H VAL 32 H VAL 32 -9.689 2.651 -1.387 192 HA VAL 32 HA VAL 32 -9.313 5.219 0.004 193 HB VAL 32 HB VAL 32 -9.808 3.170 1.395 194 HG11 VAL 32 1HG1 VAL 32 -6.968 2.394 0.775 195 HG12 VAL 32 2HG1 VAL 32 -8.173 1.491 1.697 196 HG13 VAL 32 3HG1 VAL 32 -8.354 1.680 -0.048 197 HG21 VAL 32 1HG2 VAL 32 -8.731 5.204 2.286 198 HG22 VAL 32 2HG2 VAL 32 -8.196 3.739 3.109 199 HG23 VAL 32 3HG2 VAL 32 -7.154 4.509 1.913 200 H GLU 33 H GLU 33 -7.335 6.207 0.034 201 HA GLU 33 HA GLU 33 -5.094 4.884 -1.309 202 HB2 GLU 33 1HB GLU 33 -4.623 6.947 -2.603 203 HB3 GLU 33 2HB GLU 33 -6.133 6.176 -3.064 204 HG2 GLU 33 1HG GLU 33 -7.418 7.864 -2.232 205 HG3 GLU 33 2HG GLU 33 -6.226 8.321 -1.016 206 H PHE 34 H PHE 34 -3.142 5.325 -0.436 207 HA PHE 34 HA PHE 34 -3.103 7.196 1.830 208 HB2 PHE 34 1HB PHE 34 -0.983 5.883 2.435 209 HB3 PHE 34 2HB PHE 34 -2.524 5.053 2.617 210 HD1 PHE 34 1HD PHE 34 -3.245 3.430 0.846 211 HD2 PHE 34 2HD PHE 34 0.685 5.057 1.008 212 HE1 PHE 34 1HE PHE 34 -2.435 1.609 -0.598 213 HE2 PHE 34 2HE PHE 34 1.500 3.240 -0.436 214 HZ PHE 34 HZ PHE 34 -0.060 1.513 -1.242 215 H THR 35 H THR 35 -0.536 7.739 2.208 216 HA THR 35 HA THR 35 0.505 8.781 -0.336 217 HB THR 35 HB THR 35 0.295 10.373 2.227 218 HG1 THR 35 1HG THR 35 -0.987 10.721 -0.298 219 HG21 THR 35 1HG2 THR 35 2.296 10.626 0.481 220 HG22 THR 35 2HG2 THR 35 1.570 12.015 1.289 221 HG23 THR 35 3HG2 THR 35 1.088 11.601 -0.356 222 H ILE 36 H ILE 36 2.544 8.191 -0.635 223 HA ILE 36 HA ILE 36 4.131 7.359 1.690 224 HB ILE 36 HB ILE 36 4.562 6.795 -1.246 225 HG12 ILE 36 1HG1 ILE 36 2.632 5.621 -0.189 226 HG13 ILE 36 2HG1 ILE 36 3.901 4.527 -0.730 227 HG21 ILE 36 1HG2 ILE 36 6.355 6.661 0.984 228 HG22 ILE 36 2HG2 ILE 36 6.061 5.042 0.354 229 HG23 ILE 36 3HG2 ILE 36 6.662 6.309 -0.716 230 HD11 ILE 36 1HD1 ILE 36 4.506 5.168 1.929 231 HD12 ILE 36 2HD1 ILE 36 2.773 4.846 1.874 232 HD13 ILE 36 3HD1 ILE 36 3.915 3.635 1.289 233 H ASP 37 H ASP 37 4.817 9.401 2.382 234 HA ASP 37 HA ASP 37 6.195 11.174 0.571 235 HB2 ASP 37 1HB ASP 37 6.094 11.339 3.586 236 HB3 ASP 37 2HB ASP 37 6.441 12.641 2.452 237 H ALA 38 H ALA 38 8.055 10.300 -0.187 238 HA ALA 38 HA ALA 38 10.103 9.624 1.819 239 HB1 ALA 38 1HB ALA 38 10.355 7.585 0.985 240 HB2 ALA 38 2HB ALA 38 8.984 7.877 -0.086 241 HB3 ALA 38 3HB ALA 38 10.621 8.244 -0.629 242 H ARG 39 H ARG 39 11.713 11.034 1.733 243 HA ARG 39 HA ARG 39 12.182 12.546 -0.721 244 HB2 ARG 39 1HB ARG 39 13.395 12.911 2.025 245 HB3 ARG 39 2HB ARG 39 13.555 14.012 0.663 246 HG2 ARG 39 1HG ARG 39 11.887 15.081 1.739 247 HG3 ARG 39 2HG ARG 39 10.893 13.940 0.831 248 HD2 ARG 39 1HD ARG 39 10.161 13.944 3.116 249 HD3 ARG 39 2HD ARG 39 10.963 12.409 2.784 250 HE ARG 39 HE ARG 39 12.953 13.918 3.805 251 HH11 ARG 39 1HH1 ARG 39 9.724 13.197 4.888 252 HH12 ARG 39 2HH1 ARG 39 10.119 13.325 6.570 253 HH21 ARG 39 1HH2 ARG 39 13.486 14.090 6.016 254 HH22 ARG 39 2HH2 ARG 39 12.259 13.834 7.211 255 H ASP 40 H ASP 40 14.167 10.858 1.718 256 HA ASP 40 HA ASP 40 16.245 10.478 -0.315 257 HB2 ASP 40 1HB ASP 40 16.242 10.421 2.687 258 HB3 ASP 40 2HB ASP 40 17.537 9.639 1.785 259 H ALA 41 H ALA 41 13.836 8.934 -0.433 260 HA ALA 41 HA ALA 41 14.180 6.360 0.692 261 HB1 ALA 41 1HB ALA 41 12.499 5.692 -1.091 262 HB2 ALA 41 2HB ALA 41 11.993 6.940 0.048 263 HB3 ALA 41 3HB ALA 41 12.503 7.387 -1.580 264 H GLY 42 H GLY 42 15.615 7.926 -1.999 265 HA2 GLY 42 1HA GLY 42 17.684 6.715 -2.745 266 HA3 GLY 42 2HA GLY 42 16.628 5.331 -2.984 267 H GLU 43 H GLU 43 18.105 6.055 -5.083 268 HA GLU 43 HA GLU 43 16.474 7.791 -6.780 269 HB2 GLU 43 1HB GLU 43 18.338 7.712 -8.351 270 HB3 GLU 43 2HB GLU 43 18.897 8.179 -6.751 271 HG2 GLU 43 1HG GLU 43 19.416 5.655 -6.473 272 HG3 GLU 43 2HG GLU 43 19.332 5.626 -8.233 273 H GLY 44 H GLY 44 15.000 5.673 -6.307 274 HA2 GLY 44 1HA GLY 44 15.216 4.093 -8.788 275 HA3 GLY 44 2HA GLY 44 14.882 3.305 -7.254 276 H LEU 45 H LEU 45 12.919 2.493 -8.110 277 HA LEU 45 HA LEU 45 10.798 4.528 -8.319 278 HB2 LEU 45 1HB LEU 45 9.674 3.245 -9.934 279 HB3 LEU 45 2HB LEU 45 11.363 3.278 -10.436 280 HG LEU 45 HG LEU 45 11.392 0.971 -9.104 281 HD11 LEU 45 1HD1 LEU 45 8.604 1.008 -10.228 282 HD12 LEU 45 2HD1 LEU 45 8.954 1.289 -8.523 283 HD13 LEU 45 3HD1 LEU 45 9.380 -0.251 -9.268 284 HD21 LEU 45 1HD2 LEU 45 10.923 -0.138 -11.293 285 HD22 LEU 45 2HD2 LEU 45 12.102 1.171 -11.375 286 HD23 LEU 45 3HD2 LEU 45 10.447 1.438 -11.927 287 H LEU 46 H LEU 46 9.015 4.276 -7.080 288 HA LEU 46 HA LEU 46 9.121 2.349 -4.952 289 HB2 LEU 46 1HB LEU 46 8.339 4.482 -4.347 290 HB3 LEU 46 2HB LEU 46 7.211 4.540 -5.700 291 HG LEU 46 HG LEU 46 6.089 2.525 -4.444 292 HD11 LEU 46 1HD1 LEU 46 7.192 2.006 -2.567 293 HD12 LEU 46 2HD1 LEU 46 6.387 3.422 -1.892 294 HD13 LEU 46 3HD1 LEU 46 8.032 3.556 -2.512 295 HD21 LEU 46 1HD2 LEU 46 5.853 5.448 -4.131 296 HD22 LEU 46 2HD2 LEU 46 5.026 4.469 -2.919 297 HD23 LEU 46 3HD2 LEU 46 4.653 4.256 -4.630 298 H THR 47 H THR 47 7.757 0.635 -4.570 299 HA THR 47 HA THR 47 5.831 -0.052 -6.682 300 HB THR 47 HB THR 47 6.527 -2.434 -6.509 301 HG1 THR 47 1HG THR 47 7.596 -2.229 -4.450 302 HG21 THR 47 1HG2 THR 47 8.479 -2.241 -7.912 303 HG22 THR 47 2HG2 THR 47 8.792 -0.609 -7.321 304 HG23 THR 47 3HG2 THR 47 7.366 -0.932 -8.307 305 H VAL 48 H VAL 48 3.962 -0.992 -6.000 306 HA VAL 48 HA VAL 48 3.743 -1.701 -3.153 307 HB VAL 48 HB VAL 48 1.745 -0.049 -4.706 308 HG11 VAL 48 1HG1 VAL 48 0.254 -0.963 -3.314 309 HG12 VAL 48 2HG1 VAL 48 1.508 -1.661 -2.288 310 HG13 VAL 48 3HG1 VAL 48 1.012 0.017 -2.060 311 HG21 VAL 48 1HG2 VAL 48 2.739 1.761 -3.887 312 HG22 VAL 48 2HG2 VAL 48 2.675 1.113 -2.249 313 HG23 VAL 48 3HG2 VAL 48 4.041 0.728 -3.296 314 H GLN 49 H GLN 49 2.436 -3.422 -2.680 315 HA GLN 49 HA GLN 49 0.827 -4.607 -4.809 316 HB2 GLN 49 1HB GLN 49 3.015 -5.681 -5.017 317 HB3 GLN 49 2HB GLN 49 2.979 -6.113 -3.313 318 HG2 GLN 49 1HG GLN 49 1.102 -7.581 -3.683 319 HG3 GLN 49 2HG GLN 49 1.013 -7.086 -5.372 320 HE21 GLN 49 1HE2 GLN 49 2.431 -7.932 -6.840 321 HE22 GLN 49 2HE2 GLN 49 3.515 -9.226 -6.475 322 H ILE 50 H ILE 50 -1.031 -5.458 -4.082 323 HA ILE 50 HA ILE 50 -1.312 -5.842 -1.173 324 HB ILE 50 HB ILE 50 -3.521 -4.975 -3.034 325 HG12 ILE 50 1HG1 ILE 50 -2.071 -3.219 -1.054 326 HG13 ILE 50 2HG1 ILE 50 -1.609 -3.308 -2.750 327 HG21 ILE 50 1HG2 ILE 50 -4.516 -5.977 -1.190 328 HG22 ILE 50 2HG2 ILE 50 -3.287 -5.379 -0.078 329 HG23 ILE 50 3HG2 ILE 50 -4.485 -4.271 -0.746 330 HD11 ILE 50 1HD1 ILE 50 -3.260 -1.466 -1.842 331 HD12 ILE 50 2HD1 ILE 50 -3.444 -2.167 -3.450 332 HD13 ILE 50 3HD1 ILE 50 -4.448 -2.740 -2.117 333 H LEU 51 H LEU 51 -2.072 -7.753 -0.497 334 HA LEU 51 HA LEU 51 -3.136 -9.602 -2.530 335 HB2 LEU 51 1HB LEU 51 -1.535 -10.223 -0.052 336 HB3 LEU 51 2HB LEU 51 -2.235 -11.426 -1.133 337 HG LEU 51 HG LEU 51 0.058 -9.554 -1.657 338 HD11 LEU 51 1HD1 LEU 51 0.977 -11.442 -0.769 339 HD12 LEU 51 2HD1 LEU 51 0.909 -11.918 -2.466 340 HD13 LEU 51 3HD1 LEU 51 -0.326 -12.483 -1.341 341 HD21 LEU 51 1HD2 LEU 51 -1.452 -9.492 -3.592 342 HD22 LEU 51 2HD2 LEU 51 -1.404 -11.253 -3.676 343 HD23 LEU 51 3HD2 LEU 51 0.063 -10.316 -3.963 344 H ASP 52 H ASP 52 -5.236 -9.930 -2.285 345 HA ASP 52 HA ASP 52 -6.881 -9.135 -0.273 346 HB2 ASP 52 1HB ASP 52 -8.209 -11.358 -1.003 347 HB3 ASP 52 2HB ASP 52 -8.140 -9.911 -2.004 348 HA PRO 53 HA PRO 53 -6.374 -11.644 3.286 349 HB2 PRO 53 1HB PRO 53 -8.928 -12.114 4.076 350 HB3 PRO 53 2HB PRO 53 -8.152 -10.533 4.224 351 HG2 PRO 53 1HG PRO 53 -10.046 -11.524 2.129 352 HG3 PRO 53 2HG PRO 53 -10.011 -9.954 2.952 353 HD2 PRO 53 1HD PRO 53 -9.023 -10.313 0.457 354 HD3 PRO 53 2HD PRO 53 -8.334 -9.139 1.597 355 H GLU 54 H GLU 54 -7.328 -12.950 0.466 356 HA GLU 54 HA GLU 54 -7.901 -15.604 1.593 357 HB2 GLU 54 1HB GLU 54 -8.357 -14.475 -1.171 358 HB3 GLU 54 2HB GLU 54 -8.595 -16.167 -0.760 359 HG2 GLU 54 1HG GLU 54 -10.080 -13.812 0.376 360 HG3 GLU 54 2HG GLU 54 -10.706 -15.022 -0.742 361 H GLY 55 H GLY 55 -5.687 -13.801 -0.431 362 HA2 GLY 55 1HA GLY 55 -3.346 -14.591 -0.327 363 HA3 GLY 55 2HA GLY 55 -3.980 -16.210 -0.583 364 H LYS 56 H LYS 56 -5.003 -13.271 -2.245 365 HA LYS 56 HA LYS 56 -3.740 -14.269 -4.706 366 HB2 LYS 56 1HB LYS 56 -6.506 -13.066 -4.646 367 HB3 LYS 56 2HB LYS 56 -5.707 -13.865 -5.994 368 HG2 LYS 56 1HG LYS 56 -6.396 -15.290 -3.440 369 HG3 LYS 56 2HG LYS 56 -7.502 -15.183 -4.811 370 HD2 LYS 56 1HD LYS 56 -5.874 -16.287 -6.239 371 HD3 LYS 56 2HD LYS 56 -4.714 -16.336 -4.910 372 HE2 LYS 56 1HE LYS 56 -6.282 -17.743 -3.631 373 HE3 LYS 56 2HE LYS 56 -7.391 -17.726 -5.001 374 HZ1 LYS 56 1HZ LYS 56 -4.614 -18.660 -5.333 375 HZ2 LYS 56 2HZ LYS 56 -5.976 -19.023 -6.267 376 HZ3 LYS 56 3HZ LYS 56 -5.802 -19.702 -4.728 377 HA PRO 57 HA PRO 57 -2.312 -10.156 -5.285 378 HB2 PRO 57 1HB PRO 57 -2.215 -10.026 -7.995 379 HB3 PRO 57 2HB PRO 57 -1.067 -10.969 -7.037 380 HG2 PRO 57 1HG PRO 57 -3.503 -11.885 -8.515 381 HG3 PRO 57 2HG PRO 57 -1.899 -12.635 -8.428 382 HD2 PRO 57 1HD PRO 57 -3.994 -13.503 -6.949 383 HD3 PRO 57 2HD PRO 57 -2.317 -13.590 -6.372 384 H LYS 58 H LYS 58 -3.180 -8.165 -5.357 385 HA LYS 58 HA LYS 58 -5.876 -7.893 -6.499 386 HB2 LYS 58 1HB LYS 58 -4.464 -6.331 -4.333 387 HB3 LYS 58 2HB LYS 58 -6.019 -5.866 -5.011 388 HG2 LYS 58 1HG LYS 58 -5.497 -8.516 -3.687 389 HG3 LYS 58 2HG LYS 58 -6.146 -7.103 -2.852 390 HD2 LYS 58 1HD LYS 58 -7.417 -8.321 -5.298 391 HD3 LYS 58 2HD LYS 58 -7.861 -8.761 -3.647 392 HE2 LYS 58 1HE LYS 58 -8.093 -6.132 -3.409 393 HE3 LYS 58 2HE LYS 58 -8.352 -6.243 -5.150 394 HZ1 LYS 58 1HZ LYS 58 -10.109 -7.896 -4.686 395 HZ2 LYS 58 2HZ LYS 58 -10.450 -6.369 -4.045 396 HZ3 LYS 58 3HZ LYS 58 -9.915 -7.611 -3.030 397 H LYS 59 H LYS 59 -6.201 -5.292 -6.859 398 HA LYS 59 HA LYS 59 -4.111 -4.564 -8.804 399 HB2 LYS 59 1HB LYS 59 -6.597 -5.080 -9.494 400 HB3 LYS 59 2HB LYS 59 -6.882 -3.441 -8.925 401 HG2 LYS 59 1HG LYS 59 -5.206 -2.605 -10.499 402 HG3 LYS 59 2HG LYS 59 -4.939 -4.252 -11.078 403 HD2 LYS 59 1HD LYS 59 -7.219 -4.386 -11.867 404 HD3 LYS 59 2HD LYS 59 -7.583 -2.801 -11.181 405 HE2 LYS 59 1HE LYS 59 -7.227 -2.569 -13.549 406 HE3 LYS 59 2HE LYS 59 -5.889 -1.809 -12.689 407 HZ1 LYS 59 1HZ LYS 59 -4.961 -4.295 -13.038 408 HZ2 LYS 59 2HZ LYS 59 -4.647 -3.011 -14.093 409 HZ3 LYS 59 3HZ LYS 59 -5.886 -4.108 -14.443 410 H ALA 60 H ALA 60 -2.884 -2.918 -8.199 411 HA ALA 60 HA ALA 60 -4.108 -0.758 -6.611 412 HB1 ALA 60 1HB ALA 60 -2.651 -1.087 -4.973 413 HB2 ALA 60 2HB ALA 60 -1.997 -2.476 -5.841 414 HB3 ALA 60 3HB ALA 60 -1.311 -0.872 -6.099 415 H ASN 61 H ASN 61 -3.108 1.346 -6.863 416 HA ASN 61 HA ASN 61 -1.702 1.653 -9.434 417 HB2 ASN 61 1HB ASN 61 -3.873 3.413 -8.274 418 HB3 ASN 61 2HB ASN 61 -2.921 3.816 -9.700 419 HD21 ASN 61 1HD2 ASN 61 -4.980 1.253 -8.388 420 HD22 ASN 61 2HD2 ASN 61 -5.713 0.833 -9.895 421 H ILE 62 H ILE 62 -0.122 3.245 -9.562 422 HA ILE 62 HA ILE 62 0.589 4.569 -7.030 423 HB ILE 62 HB ILE 62 2.579 3.404 -8.978 424 HG12 ILE 62 1HG1 ILE 62 2.199 2.344 -6.211 425 HG13 ILE 62 2HG1 ILE 62 1.062 1.848 -7.459 426 HG21 ILE 62 1HG2 ILE 62 3.330 4.103 -6.212 427 HG22 ILE 62 2HG2 ILE 62 4.231 4.287 -7.716 428 HG23 ILE 62 3HG2 ILE 62 2.980 5.454 -7.290 429 HD11 ILE 62 1HD1 ILE 62 3.497 1.487 -8.669 430 HD12 ILE 62 2HD1 ILE 62 3.804 1.020 -6.996 431 HD13 ILE 62 3HD1 ILE 62 2.517 0.233 -7.909 432 H ARG 63 H ARG 63 1.218 6.664 -7.162 433 HA ARG 63 HA ARG 63 1.398 7.838 -9.860 434 HB2 ARG 63 1HB ARG 63 -0.677 8.490 -8.723 435 HB3 ARG 63 2HB ARG 63 0.254 9.090 -7.357 436 HG2 ARG 63 1HG ARG 63 0.929 10.968 -8.459 437 HG3 ARG 63 2HG ARG 63 0.850 10.198 -10.045 438 HD2 ARG 63 1HD ARG 63 -0.940 11.687 -10.070 439 HD3 ARG 63 2HD ARG 63 -1.690 10.145 -9.663 440 HE ARG 63 HE ARG 63 -1.219 11.176 -7.240 441 HH11 ARG 63 1HH1 ARG 63 -2.649 12.556 -10.099 442 HH12 ARG 63 2HH1 ARG 63 -3.682 13.633 -9.221 443 HH21 ARG 63 1HH2 ARG 63 -2.575 12.591 -6.072 444 HH22 ARG 63 2HH2 ARG 63 -3.639 13.653 -6.930 445 H ASP 64 H ASP 64 2.855 9.561 -10.160 446 HA ASP 64 HA ASP 64 4.986 9.675 -8.131 447 HB2 ASP 64 1HB ASP 64 6.404 10.466 -10.102 448 HB3 ASP 64 2HB ASP 64 5.906 8.777 -10.115 449 H ASN 65 H ASN 65 4.803 11.448 -6.929 450 HA ASN 65 HA ASN 65 3.560 13.846 -7.917 451 HB2 ASN 65 1HB ASN 65 4.666 12.920 -5.309 452 HB3 ASN 65 2HB ASN 65 4.540 14.657 -5.573 453 HD21 ASN 65 1HD2 ASN 65 2.917 11.842 -4.696 454 HD22 ASN 65 2HD2 ASN 65 1.312 12.479 -4.659 455 H GLY 66 H GLY 66 6.839 12.969 -6.834 456 HA2 GLY 66 1HA GLY 66 8.809 13.699 -7.945 457 HA3 GLY 66 2HA GLY 66 7.897 15.041 -8.620 458 H ASP 67 H ASP 67 6.788 15.298 -5.718 459 HA ASP 67 HA ASP 67 8.824 17.206 -4.897 460 HB2 ASP 67 1HB ASP 67 6.543 17.995 -4.864 461 HB3 ASP 67 2HB ASP 67 6.042 16.639 -3.858 462 H GLY 68 H GLY 68 9.126 14.218 -4.650 463 HA2 GLY 68 1HA GLY 68 10.432 13.000 -3.149 464 HA3 GLY 68 2HA GLY 68 10.189 14.262 -1.950 465 H THR 69 H THR 69 7.421 12.992 -3.573 466 HA THR 69 HA THR 69 6.858 11.092 -1.433 467 HB THR 69 HB THR 69 4.682 12.034 -0.916 468 HG1 THR 69 1HG THR 69 4.267 13.046 -2.934 469 HG21 THR 69 1HG2 THR 69 5.422 13.646 0.529 470 HG22 THR 69 2HG2 THR 69 6.420 14.437 -0.691 471 HG23 THR 69 3HG2 THR 69 6.972 12.944 0.069 472 H TYR 70 H TYR 70 4.621 10.049 -1.865 473 HA TYR 70 HA TYR 70 3.961 9.911 -4.700 474 HB2 TYR 70 1HB TYR 70 4.760 7.459 -3.119 475 HB3 TYR 70 2HB TYR 70 4.168 7.472 -4.776 476 HD1 TYR 70 1HD TYR 70 6.967 8.596 -2.614 477 HD2 TYR 70 2HD TYR 70 5.645 7.800 -6.579 478 HE1 TYR 70 1HE TYR 70 9.275 8.847 -3.427 479 HE2 TYR 70 2HE TYR 70 7.950 8.048 -7.403 480 HH TYR 70 HH TYR 70 10.225 9.531 -6.084 481 H THR 71 H THR 71 1.997 8.610 -5.096 482 HA THR 71 HA THR 71 0.267 8.408 -2.724 483 HB THR 71 HB THR 71 -0.535 9.605 -5.384 484 HG1 THR 71 1HG THR 71 0.730 10.865 -3.706 485 HG21 THR 71 1HG2 THR 71 -2.259 9.617 -2.945 486 HG22 THR 71 2HG2 THR 71 -2.214 8.177 -3.963 487 HG23 THR 71 3HG2 THR 71 -2.716 9.724 -4.644 488 H VAL 72 H VAL 72 -1.064 6.666 -2.653 489 HA VAL 72 HA VAL 72 -1.267 4.976 -5.049 490 HB VAL 72 HB VAL 72 -0.650 3.955 -2.273 491 HG11 VAL 72 1HG1 VAL 72 -2.164 2.597 -3.880 492 HG12 VAL 72 2HG1 VAL 72 -0.665 2.293 -4.760 493 HG13 VAL 72 3HG1 VAL 72 -0.818 1.790 -3.076 494 HG21 VAL 72 1HG2 VAL 72 1.478 3.224 -3.246 495 HG22 VAL 72 2HG2 VAL 72 1.045 4.000 -4.769 496 HG23 VAL 72 3HG2 VAL 72 1.296 4.976 -3.322 497 H SER 73 H SER 73 -3.244 4.151 -5.418 498 HA SER 73 HA SER 73 -5.255 4.397 -3.278 499 HB2 SER 73 1HB SER 73 -6.888 5.150 -4.832 500 HB3 SER 73 2HB SER 73 -5.441 6.101 -5.168 501 HG SER 73 HG SER 73 -5.014 4.354 -6.788 502 H TYR 74 H TYR 74 -6.823 2.792 -3.147 503 HA TYR 74 HA TYR 74 -6.903 0.632 -5.048 504 HB2 TYR 74 1HB TYR 74 -6.155 -1.127 -3.605 505 HB3 TYR 74 2HB TYR 74 -4.902 0.110 -3.617 506 HD1 TYR 74 1HD TYR 74 -4.523 1.515 -1.642 507 HD2 TYR 74 2HD TYR 74 -7.405 -1.615 -1.605 508 HE1 TYR 74 1HE TYR 74 -4.597 1.620 0.814 509 HE2 TYR 74 2HE TYR 74 -7.488 -1.518 0.851 510 HH TYR 74 HH TYR 74 -5.203 0.235 2.698 511 H LEU 75 H LEU 75 -8.572 -0.946 -4.538 512 HA LEU 75 HA LEU 75 -10.560 0.077 -2.619 513 HB2 LEU 75 1HB LEU 75 -11.429 0.607 -4.737 514 HB3 LEU 75 2HB LEU 75 -10.926 -0.938 -5.420 515 HG LEU 75 HG LEU 75 -12.664 -1.858 -3.631 516 HD11 LEU 75 1HD1 LEU 75 -14.013 0.698 -4.404 517 HD12 LEU 75 2HD1 LEU 75 -13.043 0.602 -2.934 518 HD13 LEU 75 3HD1 LEU 75 -14.440 -0.455 -3.139 519 HD21 LEU 75 1HD2 LEU 75 -13.911 -0.692 -6.059 520 HD22 LEU 75 2HD2 LEU 75 -14.006 -2.329 -5.409 521 HD23 LEU 75 3HD2 LEU 75 -12.564 -1.808 -6.281 522 HA PRO 76 HA PRO 76 -9.706 -4.159 -1.220 523 HB2 PRO 76 1HB PRO 76 -10.571 -3.713 1.315 524 HB3 PRO 76 2HB PRO 76 -8.951 -3.273 0.761 525 HG2 PRO 76 1HG PRO 76 -11.380 -1.550 1.069 526 HG3 PRO 76 2HG PRO 76 -9.698 -1.203 1.512 527 HD2 PRO 76 1HD PRO 76 -10.835 -0.247 -0.752 528 HD3 PRO 76 2HD PRO 76 -9.110 -0.654 -0.648 529 H ASP 77 H ASP 77 -11.520 -4.695 -2.711 530 HA ASP 77 HA ASP 77 -14.217 -4.475 -2.050 531 HB2 ASP 77 1HB ASP 77 -12.619 -6.241 -3.832 532 HB3 ASP 77 2HB ASP 77 -14.258 -6.759 -3.446 533 H MET 78 H MET 78 -11.976 -7.170 -1.421 534 HA MET 78 HA MET 78 -13.922 -8.610 0.125 535 HB2 MET 78 1HB MET 78 -10.953 -9.023 -0.257 536 HB3 MET 78 2HB MET 78 -11.995 -10.119 0.640 537 HG2 MET 78 1HG MET 78 -12.111 -9.478 -2.293 538 HG3 MET 78 2HG MET 78 -11.670 -11.010 -1.542 539 HE1 MET 78 1HE MET 78 -13.705 -11.981 0.432 540 HE2 MET 78 2HE MET 78 -14.903 -12.694 -0.649 541 HE3 MET 78 3HE MET 78 -13.184 -12.832 -1.023 542 H SER 79 H SER 79 -13.685 -9.158 2.378 543 HA SER 79 HA SER 79 -12.504 -6.948 3.919 544 HB2 SER 79 1HB SER 79 -14.103 -7.525 5.686 545 HB3 SER 79 2HB SER 79 -14.943 -7.227 4.164 546 HG SER 79 HG SER 79 -14.646 -9.672 3.962 547 H GLY 80 H GLY 80 -11.292 -7.369 5.786 548 HA2 GLY 80 1HA GLY 80 -10.634 -9.281 7.343 549 HA3 GLY 80 2HA GLY 80 -10.150 -10.087 5.859 550 H ARG 81 H ARG 81 -8.028 -10.239 6.807 551 HA ARG 81 HA ARG 81 -6.554 -7.772 7.207 552 HB2 ARG 81 1HB ARG 81 -6.335 -10.039 8.516 553 HB3 ARG 81 2HB ARG 81 -5.273 -10.477 7.185 554 HG2 ARG 81 1HG ARG 81 -3.727 -8.807 7.714 555 HG3 ARG 81 2HG ARG 81 -4.879 -7.943 8.734 556 HD2 ARG 81 1HD ARG 81 -4.600 -9.377 10.499 557 HD3 ARG 81 2HD ARG 81 -4.161 -10.735 9.464 558 HE ARG 81 HE ARG 81 -2.388 -8.857 10.666 559 HH11 ARG 81 1HH1 ARG 81 -2.851 -10.859 7.856 560 HH12 ARG 81 2HH1 ARG 81 -1.158 -10.999 7.515 561 HH21 ARG 81 1HH2 ARG 81 -0.156 -9.034 10.228 562 HH22 ARG 81 2HH2 ARG 81 0.374 -9.962 8.866 563 H TYR 82 H TYR 82 -5.735 -6.718 5.532 564 HA TYR 82 HA TYR 82 -5.111 -8.164 3.071 565 HB2 TYR 82 1HB TYR 82 -5.643 -5.308 3.763 566 HB3 TYR 82 2HB TYR 82 -4.671 -5.657 2.338 567 HD1 TYR 82 2HD TYR 82 -7.861 -6.838 3.900 568 HD2 TYR 82 1HD TYR 82 -5.794 -5.786 0.333 569 HE1 TYR 82 2HE TYR 82 -9.914 -7.228 2.602 570 HE2 TYR 82 1HE TYR 82 -7.841 -6.172 -0.974 571 HH TYR 82 HH TYR 82 -10.825 -6.317 0.284 572 H THR 83 H THR 83 -3.097 -8.323 2.207 573 HA THR 83 HA THR 83 -0.875 -7.495 3.939 574 HB THR 83 HB THR 83 -0.845 -9.512 1.687 575 HG1 THR 83 1HG THR 83 -0.612 -10.215 4.397 576 HG21 THR 83 1HG2 THR 83 1.364 -8.842 1.928 577 HG22 THR 83 2HG2 THR 83 1.267 -10.206 3.042 578 HG23 THR 83 3HG2 THR 83 1.194 -8.556 3.659 579 H ILE 84 H ILE 84 0.161 -5.709 3.367 580 HA ILE 84 HA ILE 84 0.295 -5.005 0.510 581 HB ILE 84 HB ILE 84 0.691 -3.120 2.830 582 HG12 ILE 84 1HG1 ILE 84 -1.799 -3.336 1.143 583 HG13 ILE 84 2HG1 ILE 84 -1.625 -4.197 2.668 584 HG21 ILE 84 1HG2 ILE 84 0.801 -1.420 1.298 585 HG22 ILE 84 2HG2 ILE 84 1.551 -2.724 0.381 586 HG23 ILE 84 3HG2 ILE 84 -0.135 -2.299 0.090 587 HD11 ILE 84 1HD1 ILE 84 -1.431 -1.213 2.342 588 HD12 ILE 84 2HD1 ILE 84 -2.860 -2.090 2.892 589 HD13 ILE 84 3HD1 ILE 84 -1.384 -2.114 3.857 590 H THR 85 H THR 85 2.203 -5.227 -0.432 591 HA THR 85 HA THR 85 4.621 -5.213 1.250 592 HB THR 85 HB THR 85 4.230 -6.505 -1.457 593 HG1 THR 85 1HG THR 85 4.459 -8.449 -0.132 594 HG21 THR 85 1HG2 THR 85 6.493 -6.110 -1.423 595 HG22 THR 85 2HG2 THR 85 6.433 -7.654 -0.573 596 HG23 THR 85 3HG2 THR 85 6.584 -6.151 0.337 597 H ILE 86 H ILE 86 5.506 -3.240 1.173 598 HA ILE 86 HA ILE 86 5.598 -1.826 -1.400 599 HB ILE 86 HB ILE 86 6.110 -0.758 1.378 600 HG12 ILE 86 1HG1 ILE 86 3.757 -0.297 -0.467 601 HG13 ILE 86 2HG1 ILE 86 3.742 -1.385 0.917 602 HG21 ILE 86 1HG2 ILE 86 7.243 0.275 -0.743 603 HG22 ILE 86 2HG2 ILE 86 5.640 0.955 -1.016 604 HG23 ILE 86 3HG2 ILE 86 6.509 1.317 0.475 605 HD11 ILE 86 1HD1 ILE 86 3.107 1.333 0.869 606 HD12 ILE 86 2HD1 ILE 86 3.257 0.285 2.279 607 HD13 ILE 86 3HD1 ILE 86 4.648 1.212 1.718 608 H LYS 87 H LYS 87 7.424 -1.898 -2.512 609 HA LYS 87 HA LYS 87 9.966 -2.141 -1.042 610 HB2 LYS 87 1HB LYS 87 9.143 -3.508 -3.607 611 HB3 LYS 87 2HB LYS 87 10.806 -3.435 -3.040 612 HG2 LYS 87 1HG LYS 87 10.147 -4.622 -0.995 613 HG3 LYS 87 2HG LYS 87 8.494 -4.727 -1.606 614 HD2 LYS 87 1HD LYS 87 9.037 -6.284 -3.201 615 HD3 LYS 87 2HD LYS 87 10.711 -5.735 -3.321 616 HE2 LYS 87 1HE LYS 87 10.884 -6.626 -0.878 617 HE3 LYS 87 2HE LYS 87 9.445 -7.549 -1.309 618 HZ1 LYS 87 1HZ LYS 87 12.106 -7.658 -2.615 619 HZ2 LYS 87 2HZ LYS 87 10.723 -8.394 -3.253 620 HZ3 LYS 87 3HZ LYS 87 11.331 -8.893 -1.756 621 H TYR 88 H TYR 88 11.610 -0.829 -1.672 622 HA TYR 88 HA TYR 88 11.001 1.086 -3.823 623 HB2 TYR 88 1HB TYR 88 11.324 1.894 -1.409 624 HB3 TYR 88 2HB TYR 88 13.027 1.512 -1.634 625 HD1 TYR 88 1HD TYR 88 10.254 3.625 -2.879 626 HD2 TYR 88 2HD TYR 88 14.458 2.973 -2.827 627 HE1 TYR 88 1HE TYR 88 10.601 5.825 -3.922 628 HE2 TYR 88 2HE TYR 88 14.817 5.172 -3.869 629 HH TYR 88 HH TYR 88 13.019 6.754 -5.492 630 H GLY 89 H GLY 89 12.196 1.023 -5.606 631 HA2 GLY 89 1HA GLY 89 13.743 0.100 -7.084 632 HA3 GLY 89 2HA GLY 89 14.830 0.975 -6.016 633 H GLY 90 H GLY 90 12.951 -1.863 -5.110 634 HA2 GLY 90 1HA GLY 90 13.658 -4.083 -4.878 635 HA3 GLY 90 2HA GLY 90 15.280 -3.593 -5.345 636 H ASP 91 H ASP 91 13.259 -2.220 -2.788 637 HA ASP 91 HA ASP 91 14.896 -3.483 -0.739 638 HB2 ASP 91 1HB ASP 91 15.908 -1.214 -1.542 639 HB3 ASP 91 2HB ASP 91 14.592 -0.501 -0.612 640 H GLU 92 H GLU 92 13.319 -4.415 0.407 641 HA GLU 92 HA GLU 92 10.711 -3.321 0.695 642 HB2 GLU 92 1HB GLU 92 11.543 -5.794 0.879 643 HB3 GLU 92 2HB GLU 92 11.819 -5.383 2.566 644 HG2 GLU 92 1HG GLU 92 9.410 -4.623 2.638 645 HG3 GLU 92 2HG GLU 92 9.221 -5.394 1.064 646 H ILE 93 H ILE 93 10.019 -1.817 2.056 647 HA ILE 93 HA ILE 93 11.687 -0.458 3.845 648 HB ILE 93 HB ILE 93 9.568 0.526 4.760 649 HG12 ILE 93 1HG1 ILE 93 8.254 -1.195 2.647 650 HG13 ILE 93 2HG1 ILE 93 8.172 -1.507 4.378 651 HG21 ILE 93 1HG2 ILE 93 10.780 1.477 2.835 652 HG22 ILE 93 2HG2 ILE 93 9.780 0.509 1.753 653 HG23 ILE 93 3HG2 ILE 93 9.042 1.763 2.750 654 HD11 ILE 93 1HD1 ILE 93 6.911 0.683 2.792 655 HD12 ILE 93 2HD1 ILE 93 6.182 -0.428 3.952 656 HD13 ILE 93 3HD1 ILE 93 7.212 0.887 4.517 657 HA PRO 94 HA PRO 94 11.659 -2.835 7.538 658 HB2 PRO 94 1HB PRO 94 11.792 -0.875 9.411 659 HB3 PRO 94 2HB PRO 94 13.160 -1.313 8.381 660 HG2 PRO 94 1HG PRO 94 11.223 0.952 8.096 661 HG3 PRO 94 2HG PRO 94 12.983 0.951 7.878 662 HD2 PRO 94 1HD PRO 94 11.257 0.852 5.794 663 HD3 PRO 94 2HD PRO 94 12.846 0.061 5.756 664 H TYR 95 H TYR 95 9.047 -1.086 6.551 665 HA TYR 95 HA TYR 95 7.489 -1.661 8.979 666 HB2 TYR 95 1HB TYR 95 6.651 0.090 6.666 667 HB3 TYR 95 2HB TYR 95 5.908 -0.014 8.258 668 HD1 TYR 95 2HD TYR 95 8.204 0.159 10.056 669 HD2 TYR 95 1HD TYR 95 7.419 2.270 6.446 670 HE1 TYR 95 2HE TYR 95 9.617 2.013 10.840 671 HE2 TYR 95 1HE TYR 95 8.830 4.130 7.220 672 HH TYR 95 HH TYR 95 9.819 5.037 9.090 673 H SER 96 H SER 96 8.083 -2.725 5.831 674 HA SER 96 HA SER 96 5.452 -3.970 5.538 675 HB2 SER 96 1HB SER 96 5.955 -3.226 3.438 676 HB3 SER 96 2HB SER 96 7.695 -3.327 3.704 677 HG SER 96 HG SER 96 7.660 -5.452 3.220 678 HA PRO 97 HA PRO 97 4.836 -5.697 4.013 679 HB2 PRO 97 1HB PRO 97 3.198 -7.685 4.869 680 HB3 PRO 97 2HB PRO 97 4.484 -7.944 3.685 681 HG2 PRO 97 1HG PRO 97 4.475 -8.505 6.626 682 HG3 PRO 97 2HG PRO 97 5.098 -9.502 5.299 683 HD2 PRO 97 1HD PRO 97 6.707 -7.980 6.857 684 HD3 PRO 97 2HD PRO 97 7.057 -8.297 5.146 685 H PHE 98 H PHE 98 3.046 -4.476 4.372 686 HA PHE 98 HA PHE 98 2.544 -3.629 7.096 687 HB2 PHE 98 1HB PHE 98 1.861 -2.628 4.382 688 HB3 PHE 98 2HB PHE 98 0.757 -2.208 5.688 689 HD1 PHE 98 2HD PHE 98 2.267 -1.582 7.945 690 HD2 PHE 98 1HD PHE 98 3.303 -0.934 3.868 691 HE1 PHE 98 2HE PHE 98 3.764 0.250 8.620 692 HE2 PHE 98 1HE PHE 98 4.802 0.898 4.537 693 HZ PHE 98 HZ PHE 98 5.033 1.493 6.915 694 H ARG 99 H ARG 99 0.808 -4.116 8.312 695 HA ARG 99 HA ARG 99 -1.143 -5.990 7.166 696 HB2 ARG 99 1HB ARG 99 -1.639 -6.558 9.550 697 HB3 ARG 99 2HB ARG 99 0.010 -6.917 9.054 698 HG2 ARG 99 1HG ARG 99 -0.473 -4.272 10.287 699 HG3 ARG 99 2HG ARG 99 -0.578 -5.687 11.337 700 HD2 ARG 99 1HD ARG 99 1.645 -6.309 10.900 701 HD3 ARG 99 2HD ARG 99 1.752 -5.248 9.495 702 HE ARG 99 HE ARG 99 2.258 -3.499 10.890 703 HH11 ARG 99 1HH1 ARG 99 1.053 -6.169 12.771 704 HH12 ARG 99 2HH1 ARG 99 1.460 -5.450 14.293 705 HH21 ARG 99 1HH2 ARG 99 2.799 -2.541 12.889 706 HH22 ARG 99 2HH2 ARG 99 2.452 -3.386 14.359 707 H ILE 100 H ILE 100 -3.171 -5.359 6.846 708 HA ILE 100 HA ILE 100 -4.237 -3.121 8.419 709 HB ILE 100 HB ILE 100 -4.787 -3.370 5.471 710 HG12 ILE 100 1HG1 ILE 100 -2.334 -2.990 5.959 711 HG13 ILE 100 2HG1 ILE 100 -3.113 -1.734 5.003 712 HG21 ILE 100 1HG2 ILE 100 -6.442 -2.106 6.607 713 HG22 ILE 100 2HG2 ILE 100 -5.228 -1.221 7.529 714 HG23 ILE 100 3HG2 ILE 100 -5.390 -0.948 5.795 715 HD11 ILE 100 1HD1 ILE 100 -3.090 -0.216 6.761 716 HD12 ILE 100 2HD1 ILE 100 -2.845 -1.477 7.970 717 HD13 ILE 100 3HD1 ILE 100 -1.531 -1.031 6.883 718 H HIS 101 H HIS 101 -6.353 -3.295 8.993 719 HA HIS 101 HA HIS 101 -7.728 -5.761 8.163 720 HB2 HIS 101 1HB HIS 101 -7.099 -5.165 10.665 721 HB3 HIS 101 2HB HIS 101 -8.580 -4.216 10.573 722 HD1 HIS 101 1HD HIS 101 -7.590 -7.302 11.784 723 HD2 HIS 101 2HD HIS 101 -10.684 -6.141 9.266 724 HE1 HIS 101 1HE HIS 101 -9.288 -9.153 11.907 725 HE2 HIS 101 2HE HIS 101 -11.112 -8.468 10.311 726 H ALA 102 H ALA 102 -9.402 -5.528 6.849 727 HA ALA 102 HA ALA 102 -10.655 -2.899 6.578 728 HB1 ALA 102 1HB ALA 102 -11.194 -3.453 4.435 729 HB2 ALA 102 2HB ALA 102 -9.785 -4.493 4.650 730 HB3 ALA 102 3HB ALA 102 -11.408 -5.163 4.811 731 H LEU 103 H LEU 103 -12.567 -2.466 7.451 732 HA LEU 103 HA LEU 103 -14.157 -4.678 8.530 733 HB2 LEU 103 1HB LEU 103 -14.469 -1.725 9.033 734 HB3 LEU 103 2HB LEU 103 -15.243 -3.040 9.914 735 HG LEU 103 HG LEU 103 -12.272 -2.527 9.905 736 HD11 LEU 103 1HD1 LEU 103 -14.104 -1.942 12.197 737 HD12 LEU 103 2HD1 LEU 103 -13.810 -0.736 10.945 738 HD13 LEU 103 3HD1 LEU 103 -12.465 -1.361 11.899 739 HD21 LEU 103 1HD2 LEU 103 -13.718 -4.073 11.992 740 HD22 LEU 103 2HD2 LEU 103 -12.065 -4.241 11.401 741 HD23 LEU 103 3HD2 LEU 103 -13.413 -4.847 10.437 742 HA PRO 104 HA PRO 104 -17.228 -4.266 5.401 743 HB2 PRO 104 1HB PRO 104 -19.335 -5.342 6.732 744 HB3 PRO 104 2HB PRO 104 -17.999 -6.313 6.103 745 HG2 PRO 104 1HG PRO 104 -18.475 -5.326 8.888 746 HG3 PRO 104 2HG PRO 104 -17.920 -6.921 8.346 747 HD2 PRO 104 1HD PRO 104 -16.227 -5.036 9.300 748 HD3 PRO 104 2HD PRO 104 -15.749 -6.205 8.052 749 H THR 105 H THR 105 -17.522 -2.049 5.191 750 HA THR 105 HA THR 105 -18.651 -0.291 6.997 751 HB THR 105 HB THR 105 -19.369 1.046 4.970 752 HG1 THR 105 1HG THR 105 -18.014 -0.998 3.527 753 HG21 THR 105 1HG2 THR 105 -16.538 0.029 5.190 754 HG22 THR 105 2HG2 THR 105 -17.222 1.478 5.927 755 HG23 THR 105 3HG2 THR 105 -17.010 1.394 4.179 756 H GLY 106 H GLY 106 -20.717 0.438 7.439 757 HA2 GLY 106 1HA GLY 106 -22.828 -1.490 6.943 758 HA3 GLY 106 2HA GLY 106 -22.920 -0.088 7.997 759 H ASP 107 H ASP 107 -23.399 1.961 7.094 760 HA ASP 107 HA ASP 107 -24.785 1.770 4.505 761 HB2 ASP 107 1HB ASP 107 -25.901 3.942 5.395 762 HB3 ASP 107 2HB ASP 107 -26.405 2.391 6.060 763 H ALA 108 H ALA 108 -23.249 2.325 3.037 764 HA ALA 108 HA ALA 108 -21.984 4.966 3.377 765 HB1 ALA 108 1HB ALA 108 -20.282 3.287 3.487 766 HB2 ALA 108 2HB ALA 108 -20.888 2.506 2.026 767 HB3 ALA 108 3HB ALA 108 -20.150 4.104 1.930 768 H SER 109 H SER 109 -21.776 6.282 1.527 769 HA SER 109 HA SER 109 -23.953 6.477 -0.132 770 HB2 SER 109 1HB SER 109 -21.113 7.405 -0.596 771 HB3 SER 109 2HB SER 109 -22.468 7.873 -1.622 772 HG SER 109 HG SER 109 -22.350 9.456 -0.131 773 H SER 110 H SER 110 -20.750 5.370 -1.252 774 HA SER 110 HA SER 110 -21.711 3.069 -2.562 775 HB2 SER 110 1HB SER 110 -22.573 5.153 -3.966 776 HB3 SER 110 2HB SER 110 -20.935 5.093 -4.616 777 HG SER 110 HG SER 110 -22.096 2.633 -4.498 778 H GLY 111 H GLY 111 -20.050 1.799 -3.336 779 HA2 GLY 111 1HA GLY 111 -17.361 2.998 -3.390 780 HA3 GLY 111 2HA GLY 111 -17.660 1.579 -2.397 781 HA PRO 112 HA PRO 112 -16.668 -1.007 -5.791 782 HB2 PRO 112 1HB PRO 112 -18.233 -3.167 -5.284 783 HB3 PRO 112 2HB PRO 112 -16.798 -2.775 -4.330 784 HG2 PRO 112 1HG PRO 112 -19.679 -2.234 -3.726 785 HG3 PRO 112 2HG PRO 112 -18.402 -2.825 -2.647 786 HD2 PRO 112 1HD PRO 112 -19.210 -0.240 -2.669 787 HD3 PRO 112 2HD PRO 112 -17.537 -0.715 -2.309 788 H SER 113 H SER 113 -19.538 0.583 -5.589 789 HA SER 113 HA SER 113 -21.464 -0.468 -7.093 790 HB2 SER 113 1HB SER 113 -20.999 2.034 -6.342 791 HB3 SER 113 2HB SER 113 -20.527 2.209 -8.032 792 HG SER 113 HG SER 113 -22.907 2.412 -7.193 793 H SER 114 H SER 114 -21.665 -1.468 -8.979 794 HA SER 114 HA SER 114 -19.425 -1.491 -10.827 795 HB2 SER 114 1HB SER 114 -22.041 -3.005 -10.994 796 HB3 SER 114 2HB SER 114 -20.575 -3.327 -11.920 797 HG SER 114 HG SER 114 -19.835 -3.368 -9.422 798 H GLY 115 H GLY 115 -19.564 -0.957 -13.031 799 HA2 GLY 115 1HA GLY 115 -20.084 0.578 -14.679 800 HA3 GLY 115 2HA GLY 115 -21.672 -0.164 -14.543
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