NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
460804 | 2d90 | 11216 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -0.978 -8.188 -22.229 2 HA2 GLY 1 1HA GLY 1 -1.652 -6.023 -21.137 3 HA3 GLY 1 2HA GLY 1 -3.145 -6.854 -20.728 4 H SER 2 H SER 2 0.342 -6.825 -20.186 5 HA SER 2 HA SER 2 0.746 -8.786 -18.376 6 HB2 SER 2 1HB SER 2 1.766 -5.945 -18.134 7 HB3 SER 2 2HB SER 2 2.446 -7.344 -17.302 8 HG SER 2 HG SER 2 3.599 -7.590 -19.032 9 H SER 3 H SER 3 -0.330 -5.512 -17.450 10 HA SER 3 HA SER 3 -1.017 -6.395 -14.795 11 HB2 SER 3 1HB SER 3 -1.152 -3.777 -16.259 12 HB3 SER 3 2HB SER 3 -2.002 -3.977 -14.726 13 HG SER 3 HG SER 3 -0.060 -3.331 -14.071 14 H GLY 4 H GLY 4 -2.871 -7.314 -14.239 15 HA2 GLY 4 1HA GLY 4 -5.046 -7.523 -16.099 16 HA3 GLY 4 2HA GLY 4 -5.004 -8.172 -14.466 17 H SER 5 H SER 5 -7.103 -7.507 -14.000 18 HA SER 5 HA SER 5 -7.487 -4.590 -13.825 19 HB2 SER 5 1HB SER 5 -9.919 -5.055 -13.898 20 HB3 SER 5 2HB SER 5 -9.090 -5.637 -15.342 21 HG SER 5 HG SER 5 -10.665 -7.085 -14.178 22 H SER 6 H SER 6 -8.204 -7.668 -12.203 23 HA SER 6 HA SER 6 -9.289 -6.654 -9.852 24 HB2 SER 6 1HB SER 6 -7.694 -9.166 -10.374 25 HB3 SER 6 2HB SER 6 -8.446 -8.817 -8.817 26 HG SER 6 HG SER 6 -10.056 -9.830 -9.767 27 H GLY 7 H GLY 7 -8.123 -4.782 -9.272 28 HA2 GLY 7 1HA GLY 7 -6.609 -4.504 -7.233 29 HA3 GLY 7 2HA GLY 7 -5.397 -5.262 -8.255 30 H ARG 8 H ARG 8 -6.726 -2.352 -7.250 31 HA ARG 8 HA ARG 8 -6.159 -0.804 -9.600 32 HB2 ARG 8 1HB ARG 8 -6.684 1.127 -8.223 33 HB3 ARG 8 2HB ARG 8 -7.887 -0.130 -7.974 34 HG2 ARG 8 1HG ARG 8 -7.113 -0.626 -5.840 35 HG3 ARG 8 2HG ARG 8 -5.547 0.135 -6.130 36 HD2 ARG 8 1HD ARG 8 -6.658 1.657 -4.757 37 HD3 ARG 8 2HD ARG 8 -6.879 2.315 -6.378 38 HE ARG 8 HE ARG 8 -9.018 0.597 -5.507 39 HH11 ARG 8 2HH1 ARG 8 -7.771 3.847 -5.535 40 HH12 ARG 8 1HH1 ARG 8 -9.321 4.583 -5.302 41 HH21 ARG 8 2HH2 ARG 8 -11.065 1.555 -5.200 42 HH22 ARG 8 1HH2 ARG 8 -11.195 3.279 -5.111 43 H VAL 9 H VAL 9 -4.603 1.006 -9.588 44 HA VAL 9 HA VAL 9 -2.117 0.235 -8.206 45 HB VAL 9 HB VAL 9 -2.413 1.712 -10.826 46 HG11 VAL 9 1HG1 VAL 9 -0.345 1.909 -9.064 47 HG12 VAL 9 2HG1 VAL 9 0.187 0.579 -10.093 48 HG13 VAL 9 3HG1 VAL 9 -0.212 2.142 -10.806 49 HG21 VAL 9 1HG2 VAL 9 -2.863 -0.412 -11.499 50 HG22 VAL 9 2HG2 VAL 9 -1.102 -0.509 -11.492 51 HG23 VAL 9 3HG2 VAL 9 -2.025 -1.143 -10.130 52 H VAL 10 H VAL 10 -1.433 1.591 -6.696 53 HA VAL 10 HA VAL 10 -2.392 4.372 -6.751 54 HB VAL 10 HB VAL 10 -1.125 3.092 -4.352 55 HG11 VAL 10 1HG1 VAL 10 -3.226 5.237 -4.643 56 HG12 VAL 10 2HG1 VAL 10 -2.460 4.715 -3.142 57 HG13 VAL 10 3HG1 VAL 10 -1.506 5.525 -4.385 58 HG21 VAL 10 1HG2 VAL 10 -3.262 2.305 -3.584 59 HG22 VAL 10 2HG2 VAL 10 -4.064 2.950 -5.017 60 HG23 VAL 10 3HG2 VAL 10 -2.939 1.600 -5.168 61 H VAL 11 H VAL 11 -0.931 6.070 -6.156 62 HA VAL 11 HA VAL 11 1.922 5.425 -6.333 63 HB VAL 11 HB VAL 11 0.632 7.601 -7.984 64 HG11 VAL 11 1HG1 VAL 11 3.381 6.654 -8.509 65 HG12 VAL 11 2HG1 VAL 11 2.699 8.278 -8.608 66 HG13 VAL 11 3HG1 VAL 11 3.142 7.601 -7.041 67 HG21 VAL 11 1HG2 VAL 11 0.328 5.062 -8.602 68 HG22 VAL 11 2HG2 VAL 11 0.703 6.258 -9.842 69 HG23 VAL 11 3HG2 VAL 11 1.982 5.235 -9.189 70 H ILE 12 H ILE 12 3.070 6.466 -4.841 71 HA ILE 12 HA ILE 12 2.082 9.031 -3.809 72 HB ILE 12 HB ILE 12 3.135 6.840 -2.022 73 HG12 ILE 12 1HG1 ILE 12 0.298 7.778 -1.949 74 HG13 ILE 12 2HG1 ILE 12 0.769 6.611 -3.180 75 HG21 ILE 12 1HG2 ILE 12 2.060 9.599 -1.534 76 HG22 ILE 12 2HG2 ILE 12 2.100 8.374 -0.267 77 HG23 ILE 12 3HG2 ILE 12 3.600 8.910 -1.023 78 HD11 ILE 12 1HD1 ILE 12 0.060 6.125 -0.510 79 HD12 ILE 12 2HD1 ILE 12 0.628 4.968 -1.714 80 HD13 ILE 12 3HD1 ILE 12 1.781 5.771 -0.649 81 H LYS 13 H LYS 13 3.704 10.349 -2.803 82 HA LYS 13 HA LYS 13 6.479 9.547 -3.316 83 HB2 LYS 13 1HB LYS 13 5.712 12.364 -3.915 84 HB3 LYS 13 2HB LYS 13 7.000 11.383 -4.601 85 HG2 LYS 13 1HG LYS 13 5.429 10.177 -5.962 86 HG3 LYS 13 2HG LYS 13 4.072 11.002 -5.191 87 HD2 LYS 13 1HD LYS 13 6.195 12.632 -6.506 88 HD3 LYS 13 2HD LYS 13 5.002 11.810 -7.514 89 HE2 LYS 13 1HE LYS 13 3.285 12.881 -5.877 90 HE3 LYS 13 2HE LYS 13 4.609 13.979 -5.493 91 HZ1 LYS 13 1HZ LYS 13 3.685 15.109 -7.205 92 HZ2 LYS 13 2HZ LYS 13 3.059 13.726 -7.951 93 HZ3 LYS 13 3HZ LYS 13 4.699 14.107 -8.117 94 H LYS 14 H LYS 14 7.518 9.663 -1.448 95 HA LYS 14 HA LYS 14 6.777 10.577 0.944 96 HB2 LYS 14 1HB LYS 14 9.081 9.609 0.070 97 HB3 LYS 14 2HB LYS 14 9.564 11.298 0.149 98 HG2 LYS 14 1HG LYS 14 9.155 11.399 2.481 99 HG3 LYS 14 2HG LYS 14 8.340 9.833 2.471 100 HD2 LYS 14 1HD LYS 14 11.155 9.969 1.514 101 HD3 LYS 14 2HD LYS 14 10.854 10.080 3.250 102 HE2 LYS 14 1HE LYS 14 9.581 7.911 1.627 103 HE3 LYS 14 2HE LYS 14 11.255 7.755 2.160 104 HZ1 LYS 14 1HZ LYS 14 8.792 7.777 3.748 105 HZ2 LYS 14 2HZ LYS 14 10.200 8.398 4.450 106 HZ3 LYS 14 3HZ LYS 14 10.164 6.799 3.901 107 H GLY 15 H GLY 15 6.251 12.437 1.905 108 HA2 GLY 15 1HA GLY 15 6.890 14.939 0.470 109 HA3 GLY 15 2HA GLY 15 5.433 14.694 1.423 110 H SER 16 H SER 16 5.526 14.829 3.667 111 HA SER 16 HA SER 16 8.048 15.923 4.733 112 HB2 SER 16 1HB SER 16 6.401 17.689 4.629 113 HB3 SER 16 2HB SER 16 5.197 16.673 5.421 114 HG SER 16 HG SER 16 7.616 17.119 6.744 115 H ASN 17 H ASN 17 4.978 14.621 6.006 116 HA ASN 17 HA ASN 17 6.426 13.313 8.159 117 HB2 ASN 17 1HB ASN 17 3.455 13.378 7.584 118 HB3 ASN 17 2HB ASN 17 4.213 12.794 9.063 119 HD21 ASN 17 1HD2 ASN 17 5.594 14.408 10.206 120 HD22 ASN 17 2HD2 ASN 17 5.023 16.037 10.265 121 H GLY 18 H GLY 18 7.138 12.239 5.733 122 HA2 GLY 18 1HA GLY 18 7.569 10.060 5.029 123 HA3 GLY 18 2HA GLY 18 6.304 9.488 6.107 124 H TYR 19 H TYR 19 4.851 8.416 4.949 125 HA TYR 19 HA TYR 19 4.134 9.427 2.287 126 HB2 TYR 19 1HB TYR 19 3.821 6.708 3.561 127 HB3 TYR 19 2HB TYR 19 3.082 7.137 2.022 128 HD1 TYR 19 1HD TYR 19 6.253 6.487 3.758 129 HD2 TYR 19 2HD TYR 19 4.412 7.357 0.022 130 HE1 TYR 19 1HE TYR 19 8.334 5.878 2.598 131 HE2 TYR 19 2HE TYR 19 6.488 6.750 -1.149 132 HH TYR 19 HH TYR 19 8.881 6.584 -0.686 133 H GLY 20 H GLY 20 2.541 7.878 5.085 134 HA2 GLY 20 1HA GLY 20 0.710 9.187 6.134 135 HA3 GLY 20 2HA GLY 20 0.173 9.549 4.500 136 H PHE 21 H PHE 21 1.295 6.442 5.760 137 HA PHE 21 HA PHE 21 -1.331 5.358 6.049 138 HB2 PHE 21 1HB PHE 21 -1.495 3.983 4.168 139 HB3 PHE 21 2HB PHE 21 -0.876 5.490 3.502 140 HD1 PHE 21 2HD PHE 21 0.124 2.108 4.625 141 HD2 PHE 21 1HD PHE 21 1.159 5.553 2.350 142 HE1 PHE 21 2HE PHE 21 2.030 0.891 3.655 143 HE2 PHE 21 1HE PHE 21 3.066 4.341 1.375 144 HZ PHE 21 HZ PHE 21 3.504 2.007 2.028 145 H TYR 22 H TYR 22 -1.302 3.531 7.260 146 HA TYR 22 HA TYR 22 1.348 2.495 7.996 147 HB2 TYR 22 1HB TYR 22 -1.280 2.392 9.490 148 HB3 TYR 22 2HB TYR 22 0.220 1.663 10.050 149 HD1 TYR 22 1HD TYR 22 -0.969 4.986 8.803 150 HD2 TYR 22 2HD TYR 22 1.422 2.859 11.607 151 HE1 TYR 22 1HE TYR 22 -0.345 7.110 9.873 152 HE2 TYR 22 2HE TYR 22 2.051 4.977 12.686 153 HH TYR 22 HH TYR 22 2.012 7.725 11.505 154 H LEU 23 H LEU 23 1.165 0.122 8.839 155 HA LEU 23 HA LEU 23 -0.580 -1.472 7.109 156 HB2 LEU 23 1HB LEU 23 2.412 -1.755 7.316 157 HB3 LEU 23 2HB LEU 23 1.354 -2.967 6.597 158 HG LEU 23 HG LEU 23 1.615 -0.142 5.575 159 HD11 LEU 23 1HD1 LEU 23 3.746 -1.120 5.267 160 HD12 LEU 23 2HD1 LEU 23 2.909 -1.257 3.721 161 HD13 LEU 23 3HD1 LEU 23 3.047 -2.663 4.776 162 HD21 LEU 23 1HD2 LEU 23 0.758 -2.233 3.750 163 HD22 LEU 23 2HD2 LEU 23 0.035 -0.660 4.090 164 HD23 LEU 23 3HD2 LEU 23 -0.334 -2.043 5.122 165 H ARG 24 H ARG 24 -0.969 -3.600 7.847 166 HA ARG 24 HA ARG 24 0.116 -4.361 10.443 167 HB2 ARG 24 1HB ARG 24 -1.770 -3.201 11.232 168 HB3 ARG 24 2HB ARG 24 -2.782 -3.769 9.910 169 HG2 ARG 24 1HG ARG 24 -2.693 -6.042 10.853 170 HG3 ARG 24 2HG ARG 24 -1.748 -5.418 12.207 171 HD2 ARG 24 1HD ARG 24 -3.573 -3.994 12.882 172 HD3 ARG 24 2HD ARG 24 -4.504 -4.454 11.458 173 HE ARG 24 HE ARG 24 -4.350 -5.871 13.905 174 HH11 ARG 24 2HH1 ARG 24 -4.534 -6.343 10.461 175 HH12 ARG 24 1HH1 ARG 24 -5.307 -7.889 10.583 176 HH21 ARG 24 2HH2 ARG 24 -5.368 -7.905 14.079 177 HH22 ARG 24 1HH2 ARG 24 -5.781 -8.776 12.641 178 H ALA 25 H ALA 25 -0.235 -6.587 10.973 179 HA ALA 25 HA ALA 25 -0.173 -8.293 8.683 180 HB1 ALA 25 1HB ALA 25 1.192 -8.719 10.678 181 HB2 ALA 25 2HB ALA 25 -0.276 -9.034 11.604 182 HB3 ALA 25 3HB ALA 25 0.171 -10.097 10.270 183 H GLY 26 H GLY 26 -2.072 -8.468 7.600 184 HA2 GLY 26 1HA GLY 26 -4.623 -8.563 8.830 185 HA3 GLY 26 2HA GLY 26 -4.265 -8.999 7.166 186 HA PRO 27 HA PRO 27 -5.482 -12.791 9.644 187 HB2 PRO 27 1HB PRO 27 -7.591 -13.486 8.084 188 HB3 PRO 27 2HB PRO 27 -7.738 -12.393 9.465 189 HG2 PRO 27 1HG PRO 27 -7.525 -11.744 6.550 190 HG3 PRO 27 2HG PRO 27 -8.586 -11.033 7.780 191 HD2 PRO 27 1HD PRO 27 -6.313 -9.824 6.942 192 HD3 PRO 27 2HD PRO 27 -6.925 -9.661 8.600 193 H GLU 28 H GLU 28 -6.328 -14.951 8.256 194 HA GLU 28 HA GLU 28 -4.159 -16.122 7.179 195 HB2 GLU 28 1HB GLU 28 -5.660 -17.625 5.926 196 HB3 GLU 28 2HB GLU 28 -6.220 -17.345 7.568 197 HG2 GLU 28 1HG GLU 28 -7.825 -15.688 6.713 198 HG3 GLU 28 2HG GLU 28 -7.292 -16.049 5.072 199 H GLN 29 H GLN 29 -6.498 -14.169 5.364 200 HA GLN 29 HA GLN 29 -5.685 -14.463 2.798 201 HB2 GLN 29 1HB GLN 29 -7.393 -12.799 3.927 202 HB3 GLN 29 2HB GLN 29 -6.058 -11.664 3.776 203 HG2 GLN 29 1HG GLN 29 -7.456 -11.404 1.875 204 HG3 GLN 29 2HG GLN 29 -5.971 -12.193 1.347 205 HE21 GLN 29 1HE2 GLN 29 -9.034 -13.275 2.782 206 HE22 GLN 29 2HE2 GLN 29 -9.348 -14.500 1.606 207 H LYS 30 H LYS 30 -4.218 -13.342 1.402 208 HA LYS 30 HA LYS 30 -1.669 -12.788 2.719 209 HB2 LYS 30 1HB LYS 30 -2.150 -12.999 -0.249 210 HB3 LYS 30 2HB LYS 30 -0.631 -13.184 0.619 211 HG2 LYS 30 1HG LYS 30 -2.880 -15.064 1.172 212 HG3 LYS 30 2HG LYS 30 -1.892 -15.273 -0.276 213 HD2 LYS 30 1HD LYS 30 0.008 -15.767 0.929 214 HD3 LYS 30 2HD LYS 30 -0.545 -14.892 2.359 215 HE2 LYS 30 1HE LYS 30 -0.826 -17.042 3.081 216 HE3 LYS 30 2HE LYS 30 -2.407 -16.761 2.355 217 HZ1 LYS 30 1HZ LYS 30 -0.809 -17.671 0.310 218 HZ2 LYS 30 2HZ LYS 30 -2.020 -18.538 1.112 219 HZ3 LYS 30 3HZ LYS 30 -0.414 -18.650 1.632 220 H GLY 31 H GLY 31 -0.612 -10.858 2.611 221 HA2 GLY 31 1HA GLY 31 -0.285 -8.752 1.343 222 HA3 GLY 31 2HA GLY 31 -2.037 -8.664 1.234 223 H GLN 32 H GLN 32 -0.738 -6.508 2.190 224 HA GLN 32 HA GLN 32 -1.026 -6.656 5.112 225 HB2 GLN 32 1HB GLN 32 0.472 -4.713 3.354 226 HB3 GLN 32 2HB GLN 32 0.231 -4.465 5.078 227 HG2 GLN 32 1HG GLN 32 1.754 -6.690 3.749 228 HG3 GLN 32 2HG GLN 32 2.402 -5.385 4.742 229 HE21 GLN 32 1HE2 GLN 32 0.961 -8.487 4.704 230 HE22 GLN 32 2HE2 GLN 32 0.967 -8.761 6.409 231 H ILE 33 H ILE 33 -2.332 -5.216 6.210 232 HA ILE 33 HA ILE 33 -4.374 -3.914 4.566 233 HB ILE 33 HB ILE 33 -4.384 -4.423 7.542 234 HG12 ILE 33 1HG1 ILE 33 -5.776 -5.931 5.319 235 HG13 ILE 33 2HG1 ILE 33 -4.373 -6.508 6.212 236 HG21 ILE 33 1HG2 ILE 33 -6.437 -3.357 5.628 237 HG22 ILE 33 2HG2 ILE 33 -6.880 -4.061 7.182 238 HG23 ILE 33 3HG2 ILE 33 -5.845 -2.634 7.123 239 HD11 ILE 33 1HD1 ILE 33 -5.941 -6.107 8.280 240 HD12 ILE 33 2HD1 ILE 33 -7.206 -6.283 7.063 241 HD13 ILE 33 3HD1 ILE 33 -6.043 -7.583 7.321 242 H ILE 34 H ILE 34 -4.704 -1.759 4.537 243 HA ILE 34 HA ILE 34 -2.723 -0.092 5.884 244 HB ILE 34 HB ILE 34 -4.723 0.527 3.713 245 HG12 ILE 34 1HG1 ILE 34 -1.716 0.259 3.785 246 HG13 ILE 34 2HG1 ILE 34 -2.860 -0.713 2.866 247 HG21 ILE 34 1HG2 ILE 34 -4.505 2.474 5.137 248 HG22 ILE 34 2HG2 ILE 34 -2.747 2.369 5.051 249 HG23 ILE 34 3HG2 ILE 34 -3.679 2.754 3.604 250 HD11 ILE 34 1HD1 ILE 34 -2.079 2.147 2.393 251 HD12 ILE 34 2HD1 ILE 34 -1.803 0.754 1.346 252 HD13 ILE 34 3HD1 ILE 34 -3.440 1.364 1.589 253 H LYS 35 H LYS 35 -3.312 1.795 7.064 254 HA LYS 35 HA LYS 35 -5.956 2.483 7.738 255 HB2 LYS 35 1HB LYS 35 -5.877 1.720 10.146 256 HB3 LYS 35 2HB LYS 35 -6.124 0.449 8.956 257 HG2 LYS 35 1HG LYS 35 -3.490 0.284 9.117 258 HG3 LYS 35 2HG LYS 35 -3.793 0.986 10.708 259 HD2 LYS 35 1HD LYS 35 -5.646 -0.908 10.779 260 HD3 LYS 35 2HD LYS 35 -4.556 -1.674 9.621 261 HE2 LYS 35 1HE LYS 35 -3.660 -2.477 11.556 262 HE3 LYS 35 2HE LYS 35 -2.747 -0.975 11.424 263 HZ1 LYS 35 1HZ LYS 35 -5.262 -1.216 12.975 264 HZ2 LYS 35 2HZ LYS 35 -4.160 0.068 12.990 265 HZ3 LYS 35 3HZ LYS 35 -3.728 -1.426 13.657 266 H ASP 36 H ASP 36 -5.919 3.812 9.920 267 HA ASP 36 HA ASP 36 -5.205 5.754 10.874 268 HB2 ASP 36 1HB ASP 36 -2.557 4.297 10.742 269 HB3 ASP 36 2HB ASP 36 -2.868 5.735 11.710 270 H ILE 37 H ILE 37 -5.453 5.883 8.091 271 HA ILE 37 HA ILE 37 -3.205 6.983 6.793 272 HB ILE 37 HB ILE 37 -6.144 7.363 6.212 273 HG12 ILE 37 1HG1 ILE 37 -4.063 5.512 5.030 274 HG13 ILE 37 2HG1 ILE 37 -5.418 5.040 6.049 275 HG21 ILE 37 1HG2 ILE 37 -5.640 8.748 4.546 276 HG22 ILE 37 2HG2 ILE 37 -4.019 8.859 5.230 277 HG23 ILE 37 3HG2 ILE 37 -4.361 7.683 3.961 278 HD11 ILE 37 1HD1 ILE 37 -6.910 5.185 4.360 279 HD12 ILE 37 2HD1 ILE 37 -6.058 6.512 3.569 280 HD13 ILE 37 3HD1 ILE 37 -5.467 4.859 3.400 281 H GLU 38 H GLU 38 -2.394 9.000 6.697 282 HA GLU 38 HA GLU 38 -3.413 10.955 8.577 283 HB2 GLU 38 1HB GLU 38 -0.938 10.738 6.893 284 HB3 GLU 38 2HB GLU 38 -1.372 12.268 7.642 285 HG2 GLU 38 1HG GLU 38 -1.527 10.878 9.819 286 HG3 GLU 38 2HG GLU 38 -0.566 9.698 8.929 287 HA PRO 39 HA PRO 39 -5.692 13.342 5.667 288 HB2 PRO 39 1HB PRO 39 -5.639 15.741 6.936 289 HB3 PRO 39 2HB PRO 39 -6.632 14.385 7.485 290 HG2 PRO 39 1HG PRO 39 -3.970 15.314 8.493 291 HG3 PRO 39 2HG PRO 39 -5.392 14.786 9.411 292 HD2 PRO 39 1HD PRO 39 -3.265 13.172 8.965 293 HD3 PRO 39 2HD PRO 39 -4.923 12.551 9.095 294 H GLY 40 H GLY 40 -5.435 14.893 4.041 295 HA2 GLY 40 1HA GLY 40 -4.180 15.911 2.394 296 HA3 GLY 40 2HA GLY 40 -3.577 16.860 3.744 297 H SER 41 H SER 41 -3.000 13.431 3.547 298 HA SER 41 HA SER 41 -0.138 13.990 3.247 299 HB2 SER 41 1HB SER 41 0.278 11.891 4.294 300 HB3 SER 41 2HB SER 41 -1.025 12.643 5.214 301 HG SER 41 HG SER 41 -2.475 11.365 3.863 302 HA PRO 42 HA PRO 42 0.435 12.466 -0.812 303 HB2 PRO 42 1HB PRO 42 2.342 10.507 0.382 304 HB3 PRO 42 2HB PRO 42 2.579 11.635 -0.958 305 HG2 PRO 42 1HG PRO 42 3.591 12.124 1.475 306 HG3 PRO 42 2HG PRO 42 2.973 13.427 0.443 307 HD2 PRO 42 1HD PRO 42 1.806 12.225 2.876 308 HD3 PRO 42 2HD PRO 42 1.638 13.868 2.223 309 H ALA 43 H ALA 43 -0.190 10.222 1.796 310 HA ALA 43 HA ALA 43 -0.796 7.994 0.088 311 HB1 ALA 43 1HB ALA 43 -1.985 7.600 2.610 312 HB2 ALA 43 2HB ALA 43 -0.477 6.918 2.001 313 HB3 ALA 43 3HB ALA 43 -0.460 8.440 2.891 314 H GLU 44 H GLU 44 -2.674 10.395 1.893 315 HA GLU 44 HA GLU 44 -5.205 9.293 1.140 316 HB2 GLU 44 1HB GLU 44 -4.891 10.623 3.199 317 HB3 GLU 44 2HB GLU 44 -4.545 12.040 2.218 318 HG2 GLU 44 1HG GLU 44 -6.722 12.323 1.601 319 HG3 GLU 44 2HG GLU 44 -7.108 10.612 1.767 320 H ALA 45 H ALA 45 -3.120 11.853 -0.074 321 HA ALA 45 HA ALA 45 -5.026 12.831 -1.980 322 HB1 ALA 45 1HB ALA 45 -3.070 14.110 -0.936 323 HB2 ALA 45 2HB ALA 45 -2.064 13.288 -2.129 324 HB3 ALA 45 3HB ALA 45 -3.376 14.342 -2.657 325 H ALA 46 H ALA 46 -3.026 10.119 -1.853 326 HA ALA 46 HA ALA 46 -2.518 9.914 -4.686 327 HB1 ALA 46 1HB ALA 46 -1.616 7.684 -4.116 328 HB2 ALA 46 2HB ALA 46 -0.900 8.983 -3.161 329 HB3 ALA 46 3HB ALA 46 -2.126 7.935 -2.446 330 H GLY 47 H GLY 47 -4.873 8.713 -2.386 331 HA2 GLY 47 1HA GLY 47 -7.102 8.282 -3.394 332 HA3 GLY 47 2HA GLY 47 -6.252 7.351 -4.618 333 H LEU 48 H LEU 48 -4.912 6.999 -1.529 334 HA LEU 48 HA LEU 48 -5.412 4.249 -1.395 335 HB2 LEU 48 1HB LEU 48 -4.351 6.305 0.461 336 HB3 LEU 48 2HB LEU 48 -4.857 4.767 1.157 337 HG LEU 48 HG LEU 48 -2.699 5.227 -0.896 338 HD11 LEU 48 1HD1 LEU 48 -2.558 4.014 1.857 339 HD12 LEU 48 2HD1 LEU 48 -2.179 5.698 1.494 340 HD13 LEU 48 3HD1 LEU 48 -1.213 4.405 0.785 341 HD21 LEU 48 1HD2 LEU 48 -2.588 2.583 -0.107 342 HD22 LEU 48 2HD2 LEU 48 -3.163 3.186 -1.661 343 HD23 LEU 48 3HD2 LEU 48 -4.310 2.872 -0.357 344 H LYS 49 H LYS 49 -6.323 3.423 0.918 345 HA LYS 49 HA LYS 49 -8.704 4.731 1.807 346 HB2 LYS 49 1HB LYS 49 -8.880 2.462 -0.139 347 HB3 LYS 49 2HB LYS 49 -10.107 2.626 1.110 348 HG2 LYS 49 1HG LYS 49 -10.175 5.111 0.210 349 HG3 LYS 49 2HG LYS 49 -9.556 4.335 -1.250 350 HD2 LYS 49 1HD LYS 49 -11.452 2.770 -1.201 351 HD3 LYS 49 2HD LYS 49 -12.077 3.587 0.234 352 HE2 LYS 49 1HE LYS 49 -13.294 4.643 -1.388 353 HE3 LYS 49 2HE LYS 49 -11.894 5.712 -1.312 354 HZ1 LYS 49 1HZ LYS 49 -11.146 3.843 -3.122 355 HZ2 LYS 49 2HZ LYS 49 -11.767 5.371 -3.497 356 HZ3 LYS 49 3HZ LYS 49 -12.794 4.027 -3.457 357 H ASN 50 H ASN 50 -9.218 4.070 3.816 358 HA ASN 50 HA ASN 50 -7.525 2.501 5.329 359 HB2 ASN 50 1HB ASN 50 -10.461 3.075 5.788 360 HB3 ASN 50 2HB ASN 50 -9.367 2.419 7.003 361 HD21 ASN 50 1HD2 ASN 50 -7.328 3.764 7.297 362 HD22 ASN 50 2HD2 ASN 50 -7.555 5.475 7.384 363 H ASN 51 H ASN 51 -7.473 0.383 5.984 364 HA ASN 51 HA ASN 51 -7.822 -1.866 5.941 365 HB2 ASN 51 1HB ASN 51 -10.566 -1.236 4.837 366 HB3 ASN 51 2HB ASN 51 -10.058 -2.721 5.635 367 HD21 ASN 51 1HD2 ASN 51 -9.256 -2.440 7.894 368 HD22 ASN 51 2HD2 ASN 51 -10.100 -1.315 8.898 369 H ASP 52 H ASP 52 -6.573 -0.587 3.751 370 HA ASP 52 HA ASP 52 -7.577 -1.921 1.363 371 HB2 ASP 52 1HB ASP 52 -5.608 0.239 1.922 372 HB3 ASP 52 2HB ASP 52 -5.348 -0.738 0.480 373 H LEU 53 H LEU 53 -6.956 -3.909 0.876 374 HA LEU 53 HA LEU 53 -4.632 -5.077 2.157 375 HB2 LEU 53 1HB LEU 53 -6.907 -6.202 1.805 376 HB3 LEU 53 2HB LEU 53 -6.397 -6.416 0.132 377 HG LEU 53 HG LEU 53 -4.371 -7.643 1.079 378 HD11 LEU 53 1HD1 LEU 53 -4.160 -8.030 3.265 379 HD12 LEU 53 2HD1 LEU 53 -5.870 -8.417 3.453 380 HD13 LEU 53 3HD1 LEU 53 -5.339 -6.735 3.481 381 HD21 LEU 53 1HD2 LEU 53 -7.055 -8.916 1.581 382 HD22 LEU 53 2HD2 LEU 53 -5.544 -9.720 1.154 383 HD23 LEU 53 3HD2 LEU 53 -6.358 -8.688 -0.023 384 H VAL 54 H VAL 54 -2.680 -5.009 1.286 385 HA VAL 54 HA VAL 54 -2.407 -4.487 -1.584 386 HB VAL 54 HB VAL 54 -0.416 -4.289 0.675 387 HG11 VAL 54 1HG1 VAL 54 1.065 -4.812 -0.955 388 HG12 VAL 54 2HG1 VAL 54 -0.036 -4.353 -2.255 389 HG13 VAL 54 3HG1 VAL 54 0.851 -3.112 -1.369 390 HG21 VAL 54 1HG2 VAL 54 -1.052 -1.998 -1.074 391 HG22 VAL 54 2HG2 VAL 54 -2.332 -2.524 0.018 392 HG23 VAL 54 3HG2 VAL 54 -0.761 -2.053 0.664 393 H VAL 55 H VAL 55 -1.731 -5.994 -2.967 394 HA VAL 55 HA VAL 55 -0.759 -8.544 -1.867 395 HB VAL 55 HB VAL 55 -1.387 -9.485 -4.109 396 HG11 VAL 55 1HG1 VAL 55 -2.821 -9.508 -2.004 397 HG12 VAL 55 2HG1 VAL 55 -3.752 -8.214 -2.762 398 HG13 VAL 55 3HG1 VAL 55 -3.644 -9.795 -3.537 399 HG21 VAL 55 1HG2 VAL 55 -2.541 -8.271 -5.698 400 HG22 VAL 55 2HG2 VAL 55 -3.054 -7.042 -4.541 401 HG23 VAL 55 3HG2 VAL 55 -1.384 -7.078 -5.107 402 H ALA 56 H ALA 56 0.090 -5.852 -3.833 403 HA ALA 56 HA ALA 56 2.748 -6.980 -4.230 404 HB1 ALA 56 1HB ALA 56 2.704 -7.142 -6.458 405 HB2 ALA 56 2HB ALA 56 0.948 -7.124 -6.290 406 HB3 ALA 56 3HB ALA 56 1.815 -5.629 -6.641 407 H VAL 57 H VAL 57 4.362 -5.388 -4.723 408 HA VAL 57 HA VAL 57 3.539 -2.593 -4.394 409 HB VAL 57 HB VAL 57 5.727 -3.898 -2.768 410 HG11 VAL 57 1HG1 VAL 57 4.836 -1.177 -2.116 411 HG12 VAL 57 2HG1 VAL 57 6.462 -1.864 -2.152 412 HG13 VAL 57 3HG1 VAL 57 5.694 -1.331 -3.649 413 HG21 VAL 57 1HG2 VAL 57 4.213 -4.271 -1.187 414 HG22 VAL 57 2HG2 VAL 57 3.716 -2.579 -1.219 415 HG23 VAL 57 3HG2 VAL 57 2.952 -3.743 -2.301 416 H ASN 58 H ASN 58 4.183 -1.786 -6.300 417 HA ASN 58 HA ASN 58 5.617 -0.958 -7.871 418 HB2 ASN 58 1HB ASN 58 7.908 -2.281 -6.426 419 HB3 ASN 58 2HB ASN 58 7.949 -0.856 -7.460 420 HD21 ASN 58 1HD2 ASN 58 8.952 -1.120 -4.786 421 HD22 ASN 58 2HD2 ASN 58 8.102 0.027 -3.813 422 H GLY 59 H GLY 59 4.388 -3.633 -7.952 423 HA2 GLY 59 1HA GLY 59 4.300 -5.200 -9.671 424 HA3 GLY 59 2HA GLY 59 5.857 -4.618 -10.244 425 H LYS 60 H LYS 60 5.583 -5.419 -6.907 426 HA LYS 60 HA LYS 60 6.973 -7.969 -7.407 427 HB2 LYS 60 1HB LYS 60 7.500 -5.897 -5.276 428 HB3 LYS 60 2HB LYS 60 8.159 -7.526 -5.219 429 HG2 LYS 60 1HG LYS 60 8.623 -5.664 -7.531 430 HG3 LYS 60 2HG LYS 60 9.683 -5.734 -6.121 431 HD2 LYS 60 1HD LYS 60 9.010 -8.280 -7.507 432 HD3 LYS 60 2HD LYS 60 10.153 -7.182 -8.284 433 HE2 LYS 60 1HE LYS 60 11.653 -7.298 -6.471 434 HE3 LYS 60 2HE LYS 60 10.443 -8.026 -5.415 435 HZ1 LYS 60 1HZ LYS 60 11.662 -9.323 -7.793 436 HZ2 LYS 60 2HZ LYS 60 10.508 -10.022 -6.773 437 HZ3 LYS 60 3HZ LYS 60 12.051 -9.658 -6.181 438 H SER 61 H SER 61 6.431 -9.715 -6.140 439 HA SER 61 HA SER 61 3.834 -9.624 -4.918 440 HB2 SER 61 1HB SER 61 3.912 -11.948 -4.907 441 HB3 SER 61 2HB SER 61 4.978 -11.566 -6.259 442 HG SER 61 HG SER 61 6.742 -11.930 -4.948 443 H VAL 62 H VAL 62 3.560 -8.830 -2.944 444 HA VAL 62 HA VAL 62 5.625 -9.359 -0.909 445 HB VAL 62 HB VAL 62 5.005 -7.375 0.227 446 HG11 VAL 62 1HG1 VAL 62 4.770 -6.358 -2.557 447 HG12 VAL 62 2HG1 VAL 62 5.800 -5.808 -1.234 448 HG13 VAL 62 3HG1 VAL 62 6.210 -7.277 -2.122 449 HG21 VAL 62 1HG2 VAL 62 2.811 -6.940 0.310 450 HG22 VAL 62 2HG2 VAL 62 3.071 -6.039 -1.183 451 HG23 VAL 62 3HG2 VAL 62 2.506 -7.708 -1.248 452 H GLU 63 H GLU 63 2.473 -10.087 -1.871 453 HA GLU 63 HA GLU 63 1.125 -10.343 0.570 454 HB2 GLU 63 1HB GLU 63 -0.486 -11.596 -0.591 455 HB3 GLU 63 2HB GLU 63 0.189 -10.521 -1.807 456 HG2 GLU 63 1HG GLU 63 1.198 -13.318 -1.433 457 HG3 GLU 63 2HG GLU 63 -0.191 -12.951 -2.455 458 H ALA 64 H ALA 64 3.801 -12.024 -0.588 459 HA ALA 64 HA ALA 64 3.240 -14.408 1.021 460 HB1 ALA 64 1HB ALA 64 4.501 -15.556 -0.419 461 HB2 ALA 64 2HB ALA 64 4.417 -14.126 -1.448 462 HB3 ALA 64 3HB ALA 64 5.795 -14.359 -0.373 463 H LEU 65 H LEU 65 4.853 -11.442 1.205 464 HA LEU 65 HA LEU 65 6.888 -12.357 3.068 465 HB2 LEU 65 1HB LEU 65 6.243 -9.793 1.705 466 HB3 LEU 65 2HB LEU 65 7.171 -9.734 3.201 467 HG LEU 65 HG LEU 65 8.018 -11.403 0.846 468 HD11 LEU 65 1HD1 LEU 65 9.692 -9.327 0.721 469 HD12 LEU 65 2HD1 LEU 65 8.247 -8.488 1.284 470 HD13 LEU 65 3HD1 LEU 65 8.200 -9.414 -0.216 471 HD21 LEU 65 1HD2 LEU 65 10.081 -11.558 1.920 472 HD22 LEU 65 2HD2 LEU 65 8.914 -11.733 3.231 473 HD23 LEU 65 3HD2 LEU 65 9.738 -10.193 2.983 474 H ASP 66 H ASP 66 7.112 -10.620 5.003 475 HA ASP 66 HA ASP 66 4.517 -10.692 6.395 476 HB2 ASP 66 1HB ASP 66 6.026 -10.586 8.487 477 HB3 ASP 66 2HB ASP 66 5.939 -12.108 7.604 478 H HIS 67 H HIS 67 4.573 -9.036 8.325 479 HA HIS 67 HA HIS 67 4.167 -6.531 7.467 480 HB2 HIS 67 1HB HIS 67 3.753 -7.174 9.774 481 HB3 HIS 67 2HB HIS 67 5.483 -7.288 10.084 482 HD1 HIS 67 1HD HIS 67 3.028 -5.244 11.158 483 HD2 HIS 67 2HD HIS 67 6.475 -4.409 8.994 484 HE1 HIS 67 1HE HIS 67 3.497 -2.805 11.555 485 HE2 HIS 67 2HE HIS 67 5.539 -2.303 10.168 486 H ASP 68 H ASP 68 7.322 -7.572 8.771 487 HA ASP 68 HA ASP 68 8.705 -5.221 8.136 488 HB2 ASP 68 1HB ASP 68 9.757 -6.662 9.673 489 HB3 ASP 68 2HB ASP 68 9.593 -8.057 8.610 490 H GLY 69 H GLY 69 8.471 -8.290 6.345 491 HA2 GLY 69 1HA GLY 69 10.112 -7.711 4.205 492 HA3 GLY 69 2HA GLY 69 8.684 -8.729 4.099 493 H VAL 70 H VAL 70 6.568 -7.296 4.158 494 HA VAL 70 HA VAL 70 6.441 -5.924 1.741 495 HB VAL 70 HB VAL 70 4.557 -5.414 4.036 496 HG11 VAL 70 1HG1 VAL 70 4.165 -4.018 2.122 497 HG12 VAL 70 2HG1 VAL 70 4.232 -5.410 1.039 498 HG13 VAL 70 3HG1 VAL 70 2.903 -5.249 2.188 499 HG21 VAL 70 1HG2 VAL 70 3.432 -7.433 2.538 500 HG22 VAL 70 2HG2 VAL 70 5.127 -7.908 2.647 501 HG23 VAL 70 3HG2 VAL 70 4.197 -7.618 4.117 502 H VAL 71 H VAL 71 6.387 -4.551 5.034 503 HA VAL 71 HA VAL 71 6.356 -1.869 4.368 504 HB VAL 71 HB VAL 71 7.642 -3.258 6.715 505 HG11 VAL 71 1HG1 VAL 71 7.389 -0.835 7.690 506 HG12 VAL 71 2HG1 VAL 71 8.828 -1.293 6.777 507 HG13 VAL 71 3HG1 VAL 71 7.545 -0.367 5.997 508 HG21 VAL 71 1HG2 VAL 71 5.132 -3.310 6.369 509 HG22 VAL 71 2HG2 VAL 71 5.693 -2.670 7.914 510 HG23 VAL 71 3HG2 VAL 71 5.154 -1.568 6.647 511 H GLU 72 H GLU 72 9.018 -4.132 4.323 512 HA GLU 72 HA GLU 72 11.122 -2.246 4.181 513 HB2 GLU 72 1HB GLU 72 11.282 -4.744 4.690 514 HB3 GLU 72 2HB GLU 72 11.172 -4.998 2.954 515 HG2 GLU 72 1HG GLU 72 13.238 -4.059 2.548 516 HG3 GLU 72 2HG GLU 72 13.234 -3.145 4.055 517 H MET 73 H MET 73 9.521 -4.154 1.628 518 HA MET 73 HA MET 73 10.803 -3.294 -0.598 519 HB2 MET 73 1HB MET 73 7.824 -3.661 -0.250 520 HB3 MET 73 2HB MET 73 8.629 -3.526 -1.807 521 HG2 MET 73 1HG MET 73 9.199 -5.662 0.233 522 HG3 MET 73 2HG MET 73 8.122 -5.849 -1.149 523 HE1 MET 73 1HE MET 73 10.155 -7.490 -3.476 524 HE2 MET 73 2HE MET 73 8.598 -6.954 -2.846 525 HE3 MET 73 3HE MET 73 9.478 -5.946 -3.996 526 H ILE 74 H ILE 74 8.181 -1.558 1.055 527 HA ILE 74 HA ILE 74 7.923 0.594 -0.675 528 HB ILE 74 HB ILE 74 7.595 0.488 2.321 529 HG12 ILE 74 1HG1 ILE 74 5.395 0.746 0.300 530 HG13 ILE 74 2HG1 ILE 74 6.113 -0.831 0.609 531 HG21 ILE 74 1HG2 ILE 74 6.173 2.583 1.875 532 HG22 ILE 74 2HG2 ILE 74 7.925 2.762 1.944 533 HG23 ILE 74 3HG2 ILE 74 7.104 2.721 0.384 534 HD11 ILE 74 1HD1 ILE 74 5.189 -0.999 2.665 535 HD12 ILE 74 2HD1 ILE 74 5.252 0.739 2.960 536 HD13 ILE 74 3HD1 ILE 74 3.994 0.065 1.925 537 H ARG 75 H ARG 75 10.093 0.240 2.118 538 HA ARG 75 HA ARG 75 11.263 2.775 2.005 539 HB2 ARG 75 1HB ARG 75 12.184 0.121 3.064 540 HB3 ARG 75 2HB ARG 75 13.263 1.510 3.085 541 HG2 ARG 75 1HG ARG 75 11.975 2.656 4.622 542 HG3 ARG 75 2HG ARG 75 10.521 1.730 4.245 543 HD2 ARG 75 1HD ARG 75 11.247 -0.128 5.458 544 HD3 ARG 75 2HD ARG 75 12.925 0.413 5.455 545 HE ARG 75 HE ARG 75 10.965 1.030 7.393 546 HH11 ARG 75 2HH1 ARG 75 13.618 2.455 5.646 547 HH12 ARG 75 1HH1 ARG 75 13.988 3.605 6.887 548 HH21 ARG 75 2HH2 ARG 75 11.443 2.540 9.035 549 HH22 ARG 75 1HH2 ARG 75 12.751 3.652 8.815 550 H LYS 76 H LYS 76 11.609 0.074 -0.069 551 HA LYS 76 HA LYS 76 14.200 0.824 -1.099 552 HB2 LYS 76 1HB LYS 76 12.250 -1.092 -2.368 553 HB3 LYS 76 2HB LYS 76 13.998 -1.046 -2.554 554 HG2 LYS 76 1HG LYS 76 12.684 -1.619 0.082 555 HG3 LYS 76 2HG LYS 76 13.041 -2.884 -1.096 556 HD2 LYS 76 1HD LYS 76 15.224 -1.006 -0.355 557 HD3 LYS 76 2HD LYS 76 14.751 -2.233 0.822 558 HE2 LYS 76 1HE LYS 76 16.331 -3.407 -0.327 559 HE3 LYS 76 2HE LYS 76 14.915 -3.807 -1.297 560 HZ1 LYS 76 1HZ LYS 76 17.255 -2.617 -2.161 561 HZ2 LYS 76 2HZ LYS 76 16.082 -1.400 -2.215 562 HZ3 LYS 76 3HZ LYS 76 15.836 -2.849 -3.052 563 H GLY 77 H GLY 77 10.823 1.185 -2.034 564 HA2 GLY 77 1HA GLY 77 11.037 2.013 -4.648 565 HA3 GLY 77 2HA GLY 77 9.839 2.635 -3.523 566 H GLY 78 H GLY 78 12.282 3.599 -1.879 567 HA2 GLY 78 1HA GLY 78 13.685 5.446 -1.815 568 HA3 GLY 78 2HA GLY 78 13.383 5.695 -3.529 569 H ASP 79 H ASP 79 12.468 7.583 -3.930 570 HA ASP 79 HA ASP 79 11.160 9.105 -1.897 571 HB2 ASP 79 1HB ASP 79 10.757 10.743 -3.720 572 HB3 ASP 79 2HB ASP 79 12.442 10.242 -3.613 573 H GLN 80 H GLN 80 10.023 7.664 -4.953 574 HA GLN 80 HA GLN 80 7.293 7.718 -3.846 575 HB2 GLN 80 1HB GLN 80 6.411 8.125 -5.965 576 HB3 GLN 80 2HB GLN 80 7.860 9.121 -5.940 577 HG2 GLN 80 1HG GLN 80 9.057 7.533 -7.264 578 HG3 GLN 80 2HG GLN 80 7.735 6.371 -7.150 579 HE21 GLN 80 1HE2 GLN 80 6.428 6.286 -8.822 580 HE22 GLN 80 2HE2 GLN 80 6.159 7.546 -9.973 581 H THR 81 H THR 81 5.917 5.935 -4.313 582 HA THR 81 HA THR 81 7.122 3.539 -5.442 583 HB THR 81 HB THR 81 7.756 3.395 -3.080 584 HG1 THR 81 1HG THR 81 5.644 1.552 -3.351 585 HG21 THR 81 1HG2 THR 81 6.356 4.389 -1.629 586 HG22 THR 81 2HG2 THR 81 5.467 2.867 -1.673 587 HG23 THR 81 3HG2 THR 81 4.969 4.209 -2.702 588 H THR 82 H THR 82 5.622 1.984 -6.103 589 HA THR 82 HA THR 82 2.872 2.987 -6.285 590 HB THR 82 HB THR 82 4.110 0.721 -7.854 591 HG1 THR 82 1HG THR 82 3.638 3.292 -8.914 592 HG21 THR 82 1HG2 THR 82 1.469 1.391 -7.540 593 HG22 THR 82 2HG2 THR 82 2.142 0.521 -8.918 594 HG23 THR 82 3HG2 THR 82 1.909 2.266 -9.006 595 H LEU 83 H LEU 83 1.135 1.854 -5.545 596 HA LEU 83 HA LEU 83 1.706 -0.658 -4.113 597 HB2 LEU 83 1HB LEU 83 -0.597 1.046 -3.329 598 HB3 LEU 83 2HB LEU 83 0.392 -0.034 -2.349 599 HG LEU 83 HG LEU 83 1.218 2.699 -3.328 600 HD11 LEU 83 1HD1 LEU 83 -0.377 3.084 -1.671 601 HD12 LEU 83 2HD1 LEU 83 1.159 3.138 -0.807 602 HD13 LEU 83 3HD1 LEU 83 0.145 1.698 -0.713 603 HD21 LEU 83 1HD2 LEU 83 2.618 0.992 -1.292 604 HD22 LEU 83 2HD2 LEU 83 3.214 2.426 -2.128 605 HD23 LEU 83 3HD2 LEU 83 3.011 0.911 -3.010 606 H LEU 84 H LEU 84 0.260 -2.340 -4.308 607 HA LEU 84 HA LEU 84 -1.901 -1.962 -6.276 608 HB2 LEU 84 1HB LEU 84 -0.088 -3.267 -7.220 609 HB3 LEU 84 2HB LEU 84 -0.137 -4.369 -5.846 610 HG LEU 84 HG LEU 84 -2.478 -4.979 -6.573 611 HD11 LEU 84 1HD1 LEU 84 -3.208 -3.304 -7.981 612 HD12 LEU 84 2HD1 LEU 84 -2.742 -4.565 -9.123 613 HD13 LEU 84 3HD1 LEU 84 -1.666 -3.199 -8.831 614 HD21 LEU 84 1HD2 LEU 84 -0.028 -5.574 -8.195 615 HD22 LEU 84 2HD2 LEU 84 -1.582 -6.312 -8.584 616 HD23 LEU 84 3HD2 LEU 84 -0.847 -6.584 -7.003 617 H VAL 85 H VAL 85 -3.645 -1.785 -4.963 618 HA VAL 85 HA VAL 85 -4.078 -3.918 -2.977 619 HB VAL 85 HB VAL 85 -5.352 -2.475 -1.670 620 HG11 VAL 85 1HG1 VAL 85 -3.901 -0.770 -1.107 621 HG12 VAL 85 2HG1 VAL 85 -2.845 -1.856 -2.014 622 HG13 VAL 85 3HG1 VAL 85 -3.502 -0.412 -2.787 623 HG21 VAL 85 1HG2 VAL 85 -6.846 -1.656 -3.388 624 HG22 VAL 85 2HG2 VAL 85 -6.214 -0.299 -2.455 625 HG23 VAL 85 3HG2 VAL 85 -5.567 -0.644 -4.059 626 H LEU 86 H LEU 86 -6.252 -4.736 -2.737 627 HA LEU 86 HA LEU 86 -7.615 -4.913 -5.316 628 HB2 LEU 86 1HB LEU 86 -7.446 -6.610 -2.891 629 HB3 LEU 86 2HB LEU 86 -8.937 -6.682 -3.828 630 HG LEU 86 HG LEU 86 -7.273 -8.461 -4.369 631 HD11 LEU 86 1HD1 LEU 86 -7.284 -7.566 -6.954 632 HD12 LEU 86 2HD1 LEU 86 -8.609 -6.653 -6.231 633 HD13 LEU 86 3HD1 LEU 86 -8.610 -8.415 -6.158 634 HD21 LEU 86 1HD2 LEU 86 -5.416 -6.500 -4.249 635 HD22 LEU 86 2HD2 LEU 86 -5.673 -6.600 -5.991 636 HD23 LEU 86 3HD2 LEU 86 -5.184 -8.034 -5.088 637 H ASP 87 H ASP 87 -9.732 -4.356 -5.634 638 HA ASP 87 HA ASP 87 -10.998 -2.836 -3.453 639 HB2 ASP 87 1HB ASP 87 -12.316 -1.789 -5.397 640 HB3 ASP 87 2HB ASP 87 -10.626 -1.327 -5.215 641 H LYS 88 H LYS 88 -11.842 -4.827 -6.287 642 HA LYS 88 HA LYS 88 -14.509 -5.270 -5.693 643 HB2 LYS 88 1HB LYS 88 -12.611 -7.251 -6.963 644 HB3 LYS 88 2HB LYS 88 -14.363 -7.239 -7.117 645 HG2 LYS 88 1HG LYS 88 -12.646 -4.950 -8.027 646 HG3 LYS 88 2HG LYS 88 -13.048 -6.319 -9.067 647 HD2 LYS 88 1HD LYS 88 -15.269 -4.934 -7.656 648 HD3 LYS 88 2HD LYS 88 -14.517 -4.114 -9.027 649 HE2 LYS 88 1HE LYS 88 -14.896 -6.193 -10.366 650 HE3 LYS 88 2HE LYS 88 -15.818 -6.833 -9.007 651 HZ1 LYS 88 1HZ LYS 88 -17.535 -5.419 -9.383 652 HZ2 LYS 88 2HZ LYS 88 -16.968 -5.542 -10.971 653 HZ3 LYS 88 3HZ LYS 88 -16.561 -4.197 -10.030 654 H GLU 89 H GLU 89 -11.666 -7.110 -4.639 655 HA GLU 89 HA GLU 89 -13.332 -8.297 -2.525 656 HB2 GLU 89 1HB GLU 89 -11.880 -10.359 -2.742 657 HB3 GLU 89 2HB GLU 89 -13.017 -10.081 -4.054 658 HG2 GLU 89 1HG GLU 89 -11.369 -9.557 -5.560 659 HG3 GLU 89 2HG GLU 89 -10.236 -9.051 -4.308 660 H ALA 90 H ALA 90 -12.455 -6.474 -1.297 661 HA ALA 90 HA ALA 90 -9.634 -6.794 -0.541 662 HB1 ALA 90 1HB ALA 90 -9.546 -4.570 -0.034 663 HB2 ALA 90 2HB ALA 90 -10.787 -4.541 -1.287 664 HB3 ALA 90 3HB ALA 90 -11.250 -4.490 0.414 665 H GLU 91 H GLU 91 -12.858 -6.337 0.895 666 HA GLU 91 HA GLU 91 -12.238 -6.516 3.564 667 HB2 GLU 91 1HB GLU 91 -14.510 -6.108 2.550 668 HB3 GLU 91 2HB GLU 91 -14.638 -7.844 2.302 669 HG2 GLU 91 1HG GLU 91 -14.046 -6.780 5.024 670 HG3 GLU 91 2HG GLU 91 -15.695 -6.738 4.401 671 H SER 92 H SER 92 -12.074 -8.184 5.073 672 HA SER 92 HA SER 92 -11.560 -10.858 3.945 673 HB2 SER 92 1HB SER 92 -9.796 -11.147 5.656 674 HB3 SER 92 2HB SER 92 -9.442 -9.805 4.568 675 HG SER 92 HG SER 92 -10.345 -9.723 7.242 676 H ILE 93 H ILE 93 -12.629 -12.497 4.855 677 HA ILE 93 HA ILE 93 -14.592 -11.988 6.860 678 HB ILE 93 HB ILE 93 -13.659 -14.625 5.722 679 HG12 ILE 93 1HG1 ILE 93 -14.550 -13.125 4.004 680 HG13 ILE 93 2HG1 ILE 93 -15.659 -14.460 4.297 681 HG21 ILE 93 1HG2 ILE 93 -16.176 -15.097 6.473 682 HG22 ILE 93 2HG2 ILE 93 -14.796 -15.363 7.538 683 HG23 ILE 93 3HG2 ILE 93 -15.748 -13.886 7.680 684 HD11 ILE 93 1HD1 ILE 93 -15.929 -11.627 5.262 685 HD12 ILE 93 2HD1 ILE 93 -16.925 -12.456 4.066 686 HD13 ILE 93 3HD1 ILE 93 -16.983 -12.950 5.758 687 H TYR 94 H TYR 94 -14.607 -12.472 8.997 688 HA TYR 94 HA TYR 94 -12.054 -13.336 10.158 689 HB2 TYR 94 1HB TYR 94 -13.075 -12.409 12.296 690 HB3 TYR 94 2HB TYR 94 -12.700 -11.233 11.041 691 HD1 TYR 94 1HD TYR 94 -15.497 -13.232 12.464 692 HD2 TYR 94 2HD TYR 94 -14.356 -9.785 10.246 693 HE1 TYR 94 1HE TYR 94 -17.818 -12.423 12.538 694 HE2 TYR 94 2HE TYR 94 -16.674 -8.966 10.315 695 HH TYR 94 HH TYR 94 -18.938 -10.026 12.381 696 H SER 95 H SER 95 -11.871 -15.185 11.270 697 HA SER 95 HA SER 95 -13.764 -17.216 11.074 698 HB2 SER 95 1HB SER 95 -11.471 -17.791 11.465 699 HB3 SER 95 2HB SER 95 -11.434 -16.871 12.969 700 HG SER 95 HG SER 95 -12.499 -18.434 13.977 701 H LEU 96 H LEU 96 -14.681 -18.415 13.019 702 HA LEU 96 HA LEU 96 -15.788 -16.496 14.960 703 HB2 LEU 96 1HB LEU 96 -17.283 -17.483 13.025 704 HB3 LEU 96 2HB LEU 96 -17.367 -18.872 14.107 705 HG LEU 96 HG LEU 96 -19.308 -17.466 14.407 706 HD11 LEU 96 1HD1 LEU 96 -17.801 -16.781 16.852 707 HD12 LEU 96 2HD1 LEU 96 -17.823 -18.483 16.389 708 HD13 LEU 96 3HD1 LEU 96 -19.339 -17.624 16.660 709 HD21 LEU 96 1HD2 LEU 96 -19.177 -15.176 15.105 710 HD22 LEU 96 2HD2 LEU 96 -18.230 -15.363 13.628 711 HD23 LEU 96 3HD2 LEU 96 -17.417 -15.253 15.190 712 H SER 97 H SER 97 -14.409 -17.052 16.619 713 HA SER 97 HA SER 97 -14.856 -19.717 17.764 714 HB2 SER 97 1HB SER 97 -12.571 -20.109 18.176 715 HB3 SER 97 2HB SER 97 -12.603 -19.478 16.530 716 HG SER 97 HG SER 97 -11.056 -18.309 17.513 717 H GLY 98 H GLY 98 -15.034 -19.784 19.966 718 HA2 GLY 98 1HA GLY 98 -14.681 -18.923 22.165 719 HA3 GLY 98 2HA GLY 98 -14.473 -17.322 21.469 720 HA PRO 99 HA PRO 99 -19.223 -18.378 21.634 721 HB2 PRO 99 1HB PRO 99 -19.882 -20.236 23.501 722 HB3 PRO 99 2HB PRO 99 -19.539 -20.646 21.816 723 HG2 PRO 99 1HG PRO 99 -17.755 -20.836 24.212 724 HG3 PRO 99 2HG PRO 99 -17.976 -21.993 22.888 725 HD2 PRO 99 1HD PRO 99 -15.869 -20.296 23.004 726 HD3 PRO 99 2HD PRO 99 -16.586 -20.825 21.468 727 H SER 100 H SER 100 -20.807 -17.621 23.169 728 HA SER 100 HA SER 100 -20.101 -15.588 24.789 729 HB2 SER 100 1HB SER 100 -22.453 -16.351 24.180 730 HB3 SER 100 2HB SER 100 -22.355 -17.446 25.560 731 HG SER 100 HG SER 100 -21.738 -14.740 25.934 732 H SER 101 H SER 101 -20.059 -15.321 27.139 733 HA SER 101 HA SER 101 -19.635 -17.508 28.890 734 HB2 SER 101 1HB SER 101 -17.524 -17.813 27.808 735 HB3 SER 101 2HB SER 101 -17.184 -16.083 27.843 736 HG SER 101 HG SER 101 -17.272 -17.888 30.023 737 H GLY 102 H GLY 102 -19.227 -16.843 31.068 738 HA2 GLY 102 1HA GLY 102 -19.709 -15.458 32.843 739 HA3 GLY 102 2HA GLY 102 -18.626 -14.345 32.020 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -8.268 5.764 -16.510 2 HA2 GLY 1 1HA GLY 1 -6.010 4.367 -17.157 3 HA3 GLY 1 2HA GLY 1 -5.766 4.807 -15.473 4 H SER 2 H SER 2 -5.871 2.733 -14.670 5 HA SER 2 HA SER 2 -7.890 0.868 -15.340 6 HB2 SER 2 1HB SER 2 -5.825 1.077 -13.186 7 HB3 SER 2 2HB SER 2 -7.116 -0.111 -13.008 8 HG SER 2 HG SER 2 -6.480 -0.730 -15.255 9 H SER 3 H SER 3 -9.979 1.136 -14.944 10 HA SER 3 HA SER 3 -10.871 2.770 -12.716 11 HB2 SER 3 1HB SER 3 -12.153 1.597 -15.145 12 HB3 SER 3 2HB SER 3 -13.181 1.992 -13.767 13 HG SER 3 HG SER 3 -13.053 3.988 -14.372 14 H GLY 4 H GLY 4 -9.562 0.442 -11.893 15 HA2 GLY 4 1HA GLY 4 -9.918 -1.036 -10.135 16 HA3 GLY 4 2HA GLY 4 -11.644 -0.737 -10.269 17 H SER 5 H SER 5 -9.004 -2.255 -12.122 18 HA SER 5 HA SER 5 -10.901 -4.384 -12.869 19 HB2 SER 5 1HB SER 5 -8.431 -3.484 -14.371 20 HB3 SER 5 2HB SER 5 -9.561 -4.736 -14.885 21 HG SER 5 HG SER 5 -9.901 -1.952 -14.793 22 H SER 6 H SER 6 -10.471 -5.644 -11.036 23 HA SER 6 HA SER 6 -9.446 -7.306 -9.869 24 HB2 SER 6 1HB SER 6 -7.556 -7.379 -12.234 25 HB3 SER 6 2HB SER 6 -7.709 -8.628 -10.999 26 HG SER 6 HG SER 6 -8.921 -9.103 -12.893 27 H GLY 7 H GLY 7 -8.794 -4.676 -9.207 28 HA2 GLY 7 1HA GLY 7 -7.246 -4.211 -7.371 29 HA3 GLY 7 2HA GLY 7 -5.999 -5.015 -8.313 30 H ARG 8 H ARG 8 -6.962 -2.093 -7.292 31 HA ARG 8 HA ARG 8 -6.424 -0.616 -9.737 32 HB2 ARG 8 1HB ARG 8 -6.882 1.380 -8.368 33 HB3 ARG 8 2HB ARG 8 -8.186 0.203 -8.275 34 HG2 ARG 8 1HG ARG 8 -7.165 -0.598 -6.122 35 HG3 ARG 8 2HG ARG 8 -6.095 0.803 -6.203 36 HD2 ARG 8 1HD ARG 8 -7.779 2.286 -5.776 37 HD3 ARG 8 2HD ARG 8 -9.012 1.262 -6.510 38 HE ARG 8 HE ARG 8 -7.900 0.225 -4.061 39 HH11 ARG 8 2HH1 ARG 8 -10.366 2.217 -5.499 40 HH12 ARG 8 1HH1 ARG 8 -11.447 2.078 -4.152 41 HH21 ARG 8 2HH2 ARG 8 -9.314 0.034 -2.281 42 HH22 ARG 8 1HH2 ARG 8 -10.848 0.837 -2.322 43 H VAL 9 H VAL 9 -4.758 0.997 -9.874 44 HA VAL 9 HA VAL 9 -2.347 0.210 -8.393 45 HB VAL 9 HB VAL 9 -2.598 1.791 -10.956 46 HG11 VAL 9 1HG1 VAL 9 -0.357 2.112 -10.973 47 HG12 VAL 9 2HG1 VAL 9 -0.569 2.026 -9.223 48 HG13 VAL 9 3HG1 VAL 9 -0.024 0.606 -10.117 49 HG21 VAL 9 1HG2 VAL 9 -2.380 -1.073 -10.362 50 HG22 VAL 9 2HG2 VAL 9 -2.965 -0.255 -11.811 51 HG23 VAL 9 3HG2 VAL 9 -1.234 -0.482 -11.565 52 H VAL 10 H VAL 10 -1.497 1.519 -6.916 53 HA VAL 10 HA VAL 10 -2.399 4.325 -6.852 54 HB VAL 10 HB VAL 10 -1.381 2.745 -4.493 55 HG11 VAL 10 1HG1 VAL 10 -1.238 4.840 -3.693 56 HG12 VAL 10 2HG1 VAL 10 -2.293 5.498 -4.945 57 HG13 VAL 10 3HG1 VAL 10 -2.989 4.709 -3.530 58 HG21 VAL 10 1HG2 VAL 10 -4.212 3.339 -4.450 59 HG22 VAL 10 2HG2 VAL 10 -3.785 2.311 -5.819 60 HG23 VAL 10 3HG2 VAL 10 -3.378 1.808 -4.178 61 H VAL 11 H VAL 11 -0.883 5.929 -6.194 62 HA VAL 11 HA VAL 11 1.938 5.151 -6.189 63 HB VAL 11 HB VAL 11 0.807 7.256 -8.040 64 HG11 VAL 11 1HG1 VAL 11 3.654 6.389 -7.552 65 HG12 VAL 11 2HG1 VAL 11 3.129 7.482 -8.834 66 HG13 VAL 11 3HG1 VAL 11 2.947 7.951 -7.143 67 HG21 VAL 11 1HG2 VAL 11 1.921 4.506 -8.506 68 HG22 VAL 11 2HG2 VAL 11 0.377 5.173 -9.037 69 HG23 VAL 11 3HG2 VAL 11 1.879 5.726 -9.778 70 H ILE 12 H ILE 12 3.057 6.218 -4.688 71 HA ILE 12 HA ILE 12 2.085 8.837 -3.779 72 HB ILE 12 HB ILE 12 3.088 6.757 -1.846 73 HG12 ILE 12 1HG1 ILE 12 0.189 7.475 -2.069 74 HG13 ILE 12 2HG1 ILE 12 0.858 6.256 -3.148 75 HG21 ILE 12 1HG2 ILE 12 1.662 8.350 -0.333 76 HG22 ILE 12 2HG2 ILE 12 3.305 8.787 -0.798 77 HG23 ILE 12 3HG2 ILE 12 1.932 9.496 -1.646 78 HD11 ILE 12 1HD1 ILE 12 1.570 5.848 -0.353 79 HD12 ILE 12 2HD1 ILE 12 -0.165 5.791 -0.666 80 HD13 ILE 12 3HD1 ILE 12 0.924 4.717 -1.542 81 H LYS 13 H LYS 13 3.671 10.217 -2.909 82 HA LYS 13 HA LYS 13 6.457 9.334 -3.225 83 HB2 LYS 13 1HB LYS 13 5.759 12.131 -3.976 84 HB3 LYS 13 2HB LYS 13 7.053 11.100 -4.572 85 HG2 LYS 13 1HG LYS 13 5.584 9.921 -6.000 86 HG3 LYS 13 2HG LYS 13 4.160 10.625 -5.230 87 HD2 LYS 13 1HD LYS 13 4.463 11.762 -7.295 88 HD3 LYS 13 2HD LYS 13 4.975 12.871 -6.021 89 HE2 LYS 13 1HE LYS 13 7.268 12.474 -6.479 90 HE3 LYS 13 2HE LYS 13 6.894 11.098 -7.515 91 HZ1 LYS 13 1HZ LYS 13 7.490 13.234 -8.672 92 HZ2 LYS 13 2HZ LYS 13 6.006 13.852 -8.147 93 HZ3 LYS 13 3HZ LYS 13 6.047 12.509 -9.174 94 H LYS 14 H LYS 14 7.472 9.556 -1.354 95 HA LYS 14 HA LYS 14 6.597 10.643 0.960 96 HB2 LYS 14 1HB LYS 14 8.852 9.421 0.321 97 HB3 LYS 14 2HB LYS 14 9.482 11.062 0.304 98 HG2 LYS 14 1HG LYS 14 8.839 11.385 2.601 99 HG3 LYS 14 2HG LYS 14 8.048 9.807 2.636 100 HD2 LYS 14 1HD LYS 14 10.949 10.032 1.931 101 HD3 LYS 14 2HD LYS 14 10.438 10.060 3.620 102 HE2 LYS 14 1HE LYS 14 9.475 7.908 1.775 103 HE3 LYS 14 2HE LYS 14 11.071 7.800 2.514 104 HZ1 LYS 14 1HZ LYS 14 9.615 8.363 4.647 105 HZ2 LYS 14 2HZ LYS 14 9.892 6.779 4.124 106 HZ3 LYS 14 3HZ LYS 14 8.441 7.555 3.735 107 H GLY 15 H GLY 15 6.475 12.609 1.943 108 HA2 GLY 15 1HA GLY 15 7.186 14.938 0.269 109 HA3 GLY 15 2HA GLY 15 5.803 14.895 1.352 110 H SER 16 H SER 16 6.124 15.093 3.590 111 HA SER 16 HA SER 16 8.764 16.182 4.315 112 HB2 SER 16 1HB SER 16 7.520 17.445 6.093 113 HB3 SER 16 2HB SER 16 7.079 17.901 4.448 114 HG SER 16 HG SER 16 5.143 17.578 5.280 115 H ASN 17 H ASN 17 5.942 14.751 5.968 116 HA ASN 17 HA ASN 17 7.606 13.638 8.030 117 HB2 ASN 17 1HB ASN 17 5.503 12.703 8.911 118 HB3 ASN 17 2HB ASN 17 5.351 14.422 8.558 119 HD21 ASN 17 1HD2 ASN 17 3.497 11.976 8.633 120 HD22 ASN 17 2HD2 ASN 17 2.576 12.134 7.180 121 H GLY 18 H GLY 18 5.569 12.273 5.444 122 HA2 GLY 18 1HA GLY 18 7.385 10.221 4.798 123 HA3 GLY 18 2HA GLY 18 6.184 9.579 5.909 124 H TYR 19 H TYR 19 4.780 8.407 4.787 125 HA TYR 19 HA TYR 19 3.967 9.322 2.123 126 HB2 TYR 19 1HB TYR 19 3.706 6.645 3.499 127 HB3 TYR 19 2HB TYR 19 2.990 7.006 1.932 128 HD1 TYR 19 2HD TYR 19 4.391 7.288 -0.042 129 HD2 TYR 19 1HD TYR 19 6.101 6.359 3.742 130 HE1 TYR 19 2HE TYR 19 6.498 6.674 -1.151 131 HE2 TYR 19 1HE TYR 19 8.213 5.744 2.643 132 HH TYR 19 HH TYR 19 9.107 6.623 -0.247 133 H GLY 20 H GLY 20 2.428 7.788 4.960 134 HA2 GLY 20 1HA GLY 20 0.584 9.082 6.012 135 HA3 GLY 20 2HA GLY 20 0.029 9.415 4.378 136 H PHE 21 H PHE 21 1.271 6.299 5.381 137 HA PHE 21 HA PHE 21 -1.355 5.178 5.798 138 HB2 PHE 21 1HB PHE 21 -1.407 3.705 3.934 139 HB3 PHE 21 2HB PHE 21 -1.038 5.298 3.281 140 HD1 PHE 21 1HD PHE 21 1.318 5.841 2.648 141 HD2 PHE 21 2HD PHE 21 0.071 1.899 3.658 142 HE1 PHE 21 1HE PHE 21 3.326 4.930 1.557 143 HE2 PHE 21 2HE PHE 21 2.077 0.982 2.569 144 HZ PHE 21 HZ PHE 21 3.709 2.498 1.517 145 H TYR 22 H TYR 22 -1.288 3.330 6.983 146 HA TYR 22 HA TYR 22 1.385 2.372 7.740 147 HB2 TYR 22 1HB TYR 22 -1.262 2.164 9.189 148 HB3 TYR 22 2HB TYR 22 0.248 1.464 9.762 149 HD1 TYR 22 1HD TYR 22 -1.207 4.740 8.720 150 HD2 TYR 22 2HD TYR 22 1.593 2.700 11.190 151 HE1 TYR 22 1HE TYR 22 -0.656 6.861 9.837 152 HE2 TYR 22 2HE TYR 22 2.150 4.814 12.315 153 HH TYR 22 HH TYR 22 0.731 7.145 12.661 154 H LEU 23 H LEU 23 1.489 0.022 8.348 155 HA LEU 23 HA LEU 23 -0.292 -1.651 6.726 156 HB2 LEU 23 1HB LEU 23 2.720 -1.778 6.705 157 HB3 LEU 23 2HB LEU 23 1.651 -2.952 5.939 158 HG LEU 23 HG LEU 23 1.775 -0.037 5.176 159 HD11 LEU 23 1HD1 LEU 23 3.913 -1.322 4.800 160 HD12 LEU 23 2HD1 LEU 23 3.174 -0.617 3.362 161 HD13 LEU 23 3HD1 LEU 23 3.003 -2.342 3.685 162 HD21 LEU 23 1HD2 LEU 23 0.206 -2.385 4.302 163 HD22 LEU 23 2HD2 LEU 23 0.823 -1.330 3.031 164 HD23 LEU 23 3HD2 LEU 23 -0.212 -0.671 4.299 165 H ARG 24 H ARG 24 -0.842 -3.552 7.646 166 HA ARG 24 HA ARG 24 0.676 -4.476 9.981 167 HB2 ARG 24 1HB ARG 24 -1.218 -3.160 10.825 168 HB3 ARG 24 2HB ARG 24 -2.329 -4.155 9.894 169 HG2 ARG 24 1HG ARG 24 -1.710 -6.105 11.214 170 HG3 ARG 24 2HG ARG 24 -0.566 -5.125 12.134 171 HD2 ARG 24 1HD ARG 24 -2.511 -3.666 12.784 172 HD3 ARG 24 2HD ARG 24 -3.566 -4.878 12.060 173 HE ARG 24 HE ARG 24 -3.204 -6.238 13.872 174 HH11 ARG 24 2HH1 ARG 24 -0.886 -3.641 13.887 175 HH12 ARG 24 1HH1 ARG 24 -0.290 -4.008 15.473 176 HH21 ARG 24 2HH2 ARG 24 -2.429 -6.731 15.960 177 HH22 ARG 24 1HH2 ARG 24 -1.168 -5.766 16.650 178 H ALA 25 H ALA 25 0.364 -6.715 10.496 179 HA ALA 25 HA ALA 25 0.062 -8.345 8.157 180 HB1 ALA 25 1HB ALA 25 0.616 -10.211 9.655 181 HB2 ALA 25 2HB ALA 25 1.759 -8.876 9.807 182 HB3 ALA 25 3HB ALA 25 0.517 -9.118 11.036 183 H GLY 26 H GLY 26 -1.999 -8.485 7.417 184 HA2 GLY 26 1HA GLY 26 -4.268 -8.717 9.141 185 HA3 GLY 26 2HA GLY 26 -4.264 -8.914 7.394 186 HA PRO 27 HA PRO 27 -5.034 -13.037 9.447 187 HB2 PRO 27 1HB PRO 27 -7.316 -13.587 8.083 188 HB3 PRO 27 2HB PRO 27 -7.299 -12.686 9.603 189 HG2 PRO 27 1HG PRO 27 -7.467 -11.662 6.796 190 HG3 PRO 27 2HG PRO 27 -8.372 -11.146 8.231 191 HD2 PRO 27 1HD PRO 27 -6.239 -9.773 7.282 192 HD3 PRO 27 2HD PRO 27 -6.638 -9.842 9.010 193 H GLU 28 H GLU 28 -6.023 -15.025 7.903 194 HA GLU 28 HA GLU 28 -3.956 -15.913 6.377 195 HB2 GLU 28 1HB GLU 28 -6.908 -16.450 6.064 196 HB3 GLU 28 2HB GLU 28 -5.682 -17.315 5.148 197 HG2 GLU 28 1HG GLU 28 -4.684 -18.098 7.248 198 HG3 GLU 28 2HG GLU 28 -5.953 -17.266 8.145 199 H GLN 29 H GLN 29 -6.255 -13.494 5.527 200 HA GLN 29 HA GLN 29 -6.206 -13.591 2.748 201 HB2 GLN 29 1HB GLN 29 -6.473 -11.273 4.656 202 HB3 GLN 29 2HB GLN 29 -6.610 -11.079 2.914 203 HG2 GLN 29 1HG GLN 29 -8.368 -12.754 4.689 204 HG3 GLN 29 2HG GLN 29 -8.800 -11.250 3.875 205 HE21 GLN 29 1HE2 GLN 29 -8.875 -11.261 1.550 206 HE22 GLN 29 2HE2 GLN 29 -9.263 -12.721 0.712 207 H LYS 30 H LYS 30 -4.565 -13.479 1.382 208 HA LYS 30 HA LYS 30 -1.943 -12.769 2.125 209 HB2 LYS 30 1HB LYS 30 -3.149 -12.955 -0.642 210 HB3 LYS 30 2HB LYS 30 -1.428 -12.926 -0.277 211 HG2 LYS 30 1HG LYS 30 -3.323 -15.051 0.698 212 HG3 LYS 30 2HG LYS 30 -2.339 -15.186 -0.761 213 HD2 LYS 30 1HD LYS 30 -0.332 -15.184 0.465 214 HD3 LYS 30 2HD LYS 30 -1.128 -14.590 1.925 215 HE2 LYS 30 1HE LYS 30 -0.754 -16.866 2.337 216 HE3 LYS 30 2HE LYS 30 -2.453 -16.771 1.879 217 HZ1 LYS 30 1HZ LYS 30 -1.868 -18.435 0.508 218 HZ2 LYS 30 2HZ LYS 30 -0.229 -18.018 0.494 219 HZ3 LYS 30 3HZ LYS 30 -1.322 -17.185 -0.492 220 H GLY 31 H GLY 31 -1.001 -10.847 2.326 221 HA2 GLY 31 1HA GLY 31 -0.512 -8.702 1.201 222 HA3 GLY 31 2HA GLY 31 -2.244 -8.546 0.948 223 H GLN 32 H GLN 32 -0.652 -6.586 2.191 224 HA GLN 32 HA GLN 32 -1.238 -6.812 5.043 225 HB2 GLN 32 1HB GLN 32 0.280 -4.719 3.478 226 HB3 GLN 32 2HB GLN 32 0.049 -4.689 5.221 227 HG2 GLN 32 1HG GLN 32 1.450 -6.887 3.718 228 HG3 GLN 32 2HG GLN 32 2.256 -5.546 4.530 229 HE21 GLN 32 1HE2 GLN 32 1.360 -5.278 6.883 230 HE22 GLN 32 2HE2 GLN 32 1.351 -6.735 7.812 231 H ILE 33 H ILE 33 -2.508 -5.315 6.168 232 HA ILE 33 HA ILE 33 -4.523 -3.991 4.500 233 HB ILE 33 HB ILE 33 -4.698 -4.394 7.477 234 HG12 ILE 33 1HG1 ILE 33 -5.889 -6.271 5.445 235 HG13 ILE 33 2HG1 ILE 33 -4.290 -6.547 6.126 236 HG21 ILE 33 1HG2 ILE 33 -6.316 -2.863 6.731 237 HG22 ILE 33 2HG2 ILE 33 -6.665 -3.810 5.285 238 HG23 ILE 33 3HG2 ILE 33 -7.168 -4.400 6.869 239 HD11 ILE 33 1HD1 ILE 33 -5.110 -7.090 8.178 240 HD12 ILE 33 2HD1 ILE 33 -6.550 -6.089 7.992 241 HD13 ILE 33 3HD1 ILE 33 -6.442 -7.640 7.161 242 H ILE 34 H ILE 34 -4.737 -1.839 4.430 243 HA ILE 34 HA ILE 34 -2.805 -0.213 5.858 244 HB ILE 34 HB ILE 34 -4.882 0.553 3.804 245 HG12 ILE 34 1HG1 ILE 34 -1.886 0.179 3.599 246 HG13 ILE 34 2HG1 ILE 34 -3.114 -0.866 2.894 247 HG21 ILE 34 1HG2 ILE 34 -2.853 2.149 5.313 248 HG22 ILE 34 2HG2 ILE 34 -3.331 2.628 3.685 249 HG23 ILE 34 3HG2 ILE 34 -4.540 2.526 4.965 250 HD11 ILE 34 1HD1 ILE 34 -2.560 0.374 1.075 251 HD12 ILE 34 2HD1 ILE 34 -3.849 1.383 1.731 252 HD13 ILE 34 3HD1 ILE 34 -2.163 1.803 2.030 253 H LYS 35 H LYS 35 -3.321 1.526 7.213 254 HA LYS 35 HA LYS 35 -5.988 2.189 7.941 255 HB2 LYS 35 1HB LYS 35 -5.898 1.366 10.277 256 HB3 LYS 35 2HB LYS 35 -5.937 0.064 9.096 257 HG2 LYS 35 1HG LYS 35 -3.287 0.995 10.053 258 HG3 LYS 35 2HG LYS 35 -4.284 0.037 11.151 259 HD2 LYS 35 1HD LYS 35 -3.849 -0.879 8.336 260 HD3 LYS 35 2HD LYS 35 -2.603 -1.154 9.557 261 HE2 LYS 35 1HE LYS 35 -5.452 -2.132 9.572 262 HE3 LYS 35 2HE LYS 35 -3.981 -3.099 9.479 263 HZ1 LYS 35 1HZ LYS 35 -5.097 -1.659 11.798 264 HZ2 LYS 35 2HZ LYS 35 -3.452 -2.048 11.739 265 HZ3 LYS 35 3HZ LYS 35 -4.614 -3.276 11.684 266 H ASP 36 H ASP 36 -6.013 3.671 9.885 267 HA ASP 36 HA ASP 36 -5.297 5.587 10.881 268 HB2 ASP 36 1HB ASP 36 -3.628 3.788 11.780 269 HB3 ASP 36 2HB ASP 36 -2.466 4.607 10.741 270 H ILE 37 H ILE 37 -5.636 5.781 8.167 271 HA ILE 37 HA ILE 37 -3.392 6.866 6.810 272 HB ILE 37 HB ILE 37 -6.348 7.121 6.261 273 HG12 ILE 37 1HG1 ILE 37 -4.190 5.475 4.923 274 HG13 ILE 37 2HG1 ILE 37 -5.383 4.852 6.058 275 HG21 ILE 37 1HG2 ILE 37 -5.922 8.677 4.740 276 HG22 ILE 37 2HG2 ILE 37 -4.227 8.683 5.226 277 HG23 ILE 37 3HG2 ILE 37 -4.773 7.602 3.944 278 HD11 ILE 37 1HD1 ILE 37 -5.862 4.441 3.634 279 HD12 ILE 37 2HD1 ILE 37 -7.152 5.236 4.536 280 HD13 ILE 37 3HD1 ILE 37 -6.115 6.178 3.465 281 H GLU 38 H GLU 38 -2.611 8.891 6.708 282 HA GLU 38 HA GLU 38 -3.700 10.854 8.549 283 HB2 GLU 38 1HB GLU 38 -1.240 10.981 6.795 284 HB3 GLU 38 2HB GLU 38 -1.669 12.136 8.049 285 HG2 GLU 38 1HG GLU 38 -0.855 9.266 8.384 286 HG3 GLU 38 2HG GLU 38 -0.018 10.709 8.953 287 HA PRO 39 HA PRO 39 -5.912 13.151 5.512 288 HB2 PRO 39 1HB PRO 39 -6.001 15.548 6.783 289 HB3 PRO 39 2HB PRO 39 -6.980 14.161 7.277 290 HG2 PRO 39 1HG PRO 39 -4.407 15.169 8.428 291 HG3 PRO 39 2HG PRO 39 -5.859 14.596 9.268 292 HD2 PRO 39 1HD PRO 39 -3.662 13.049 8.936 293 HD3 PRO 39 2HD PRO 39 -5.305 12.377 8.977 294 H GLY 40 H GLY 40 -5.668 14.856 3.987 295 HA2 GLY 40 1HA GLY 40 -4.375 15.927 2.402 296 HA3 GLY 40 2HA GLY 40 -3.787 16.808 3.805 297 H SER 41 H SER 41 -3.211 13.399 3.565 298 HA SER 41 HA SER 41 -0.349 13.953 3.264 299 HB2 SER 41 1HB SER 41 0.067 11.873 4.319 300 HB3 SER 41 2HB SER 41 -1.286 12.573 5.207 301 HG SER 41 HG SER 41 -2.667 11.269 3.856 302 HA PRO 42 HA PRO 42 0.258 12.440 -0.795 303 HB2 PRO 42 1HB PRO 42 2.090 10.412 0.403 304 HB3 PRO 42 2HB PRO 42 2.379 11.549 -0.919 305 HG2 PRO 42 1HG PRO 42 3.368 11.979 1.534 306 HG3 PRO 42 2HG PRO 42 2.804 13.313 0.510 307 HD2 PRO 42 1HD PRO 42 1.566 12.115 2.910 308 HD3 PRO 42 2HD PRO 42 1.454 13.770 2.276 309 H ALA 43 H ALA 43 -0.399 10.139 1.772 310 HA ALA 43 HA ALA 43 -1.052 7.958 0.042 311 HB1 ALA 43 1HB ALA 43 -0.502 7.123 2.080 312 HB2 ALA 43 2HB ALA 43 -1.192 8.492 2.953 313 HB3 ALA 43 3HB ALA 43 -2.248 7.235 2.308 314 H GLU 44 H GLU 44 -3.015 10.186 2.016 315 HA GLU 44 HA GLU 44 -5.508 9.217 1.109 316 HB2 GLU 44 1HB GLU 44 -5.227 10.527 3.181 317 HB3 GLU 44 2HB GLU 44 -4.826 11.944 2.221 318 HG2 GLU 44 1HG GLU 44 -6.980 12.281 1.555 319 HG3 GLU 44 2HG GLU 44 -7.404 10.575 1.686 320 H ALA 45 H ALA 45 -3.311 11.664 -0.099 321 HA ALA 45 HA ALA 45 -5.183 12.692 -2.036 322 HB1 ALA 45 1HB ALA 45 -2.206 13.143 -1.891 323 HB2 ALA 45 2HB ALA 45 -3.392 14.113 -2.766 324 HB3 ALA 45 3HB ALA 45 -3.404 14.085 -1.002 325 H ALA 46 H ALA 46 -2.689 10.264 -1.926 326 HA ALA 46 HA ALA 46 -2.256 9.991 -4.707 327 HB1 ALA 46 1HB ALA 46 -0.631 9.070 -3.262 328 HB2 ALA 46 2HB ALA 46 -1.834 8.112 -2.397 329 HB3 ALA 46 3HB ALA 46 -1.406 7.700 -4.058 330 H GLY 47 H GLY 47 -4.733 8.818 -2.560 331 HA2 GLY 47 1HA GLY 47 -6.876 8.294 -3.663 332 HA3 GLY 47 2HA GLY 47 -5.944 7.381 -4.842 333 H LEU 48 H LEU 48 -4.542 6.902 -1.886 334 HA LEU 48 HA LEU 48 -5.143 4.195 -1.733 335 HB2 LEU 48 1HB LEU 48 -3.983 6.200 0.118 336 HB3 LEU 48 2HB LEU 48 -4.509 4.667 0.810 337 HG LEU 48 HG LEU 48 -2.371 5.124 -1.261 338 HD11 LEU 48 1HD1 LEU 48 -1.760 5.459 1.099 339 HD12 LEU 48 2HD1 LEU 48 -0.930 4.081 0.376 340 HD13 LEU 48 3HD1 LEU 48 -2.299 3.818 1.455 341 HD21 LEU 48 1HD2 LEU 48 -2.335 2.445 -0.641 342 HD22 LEU 48 2HD2 LEU 48 -2.950 3.153 -2.135 343 HD23 LEU 48 3HD2 LEU 48 -4.056 2.792 -0.809 344 H LYS 49 H LYS 49 -6.016 3.354 0.585 345 HA LYS 49 HA LYS 49 -8.364 4.716 1.518 346 HB2 LYS 49 1HB LYS 49 -8.592 2.348 -0.317 347 HB3 LYS 49 2HB LYS 49 -9.820 2.655 0.904 348 HG2 LYS 49 1HG LYS 49 -9.840 5.050 -0.146 349 HG3 LYS 49 2HG LYS 49 -9.140 4.218 -1.537 350 HD2 LYS 49 1HD LYS 49 -11.026 2.850 -1.808 351 HD3 LYS 49 2HD LYS 49 -11.627 3.212 -0.188 352 HE2 LYS 49 1HE LYS 49 -12.992 4.421 -1.699 353 HE3 LYS 49 2HE LYS 49 -11.911 5.596 -0.951 354 HZ1 LYS 49 1HZ LYS 49 -10.781 5.926 -2.879 355 HZ2 LYS 49 2HZ LYS 49 -12.290 5.534 -3.534 356 HZ3 LYS 49 3HZ LYS 49 -11.067 4.366 -3.468 357 H ASN 50 H ASN 50 -9.204 3.820 3.418 358 HA ASN 50 HA ASN 50 -7.374 2.405 5.021 359 HB2 ASN 50 1HB ASN 50 -10.340 2.826 5.461 360 HB3 ASN 50 2HB ASN 50 -9.177 2.340 6.691 361 HD21 ASN 50 1HD2 ASN 50 -7.324 3.861 6.994 362 HD22 ASN 50 2HD2 ASN 50 -7.675 5.552 6.940 363 H ASN 51 H ASN 51 -7.746 0.333 6.103 364 HA ASN 51 HA ASN 51 -7.910 -1.936 5.956 365 HB2 ASN 51 1HB ASN 51 -10.106 -2.790 5.731 366 HB3 ASN 51 2HB ASN 51 -10.306 -1.172 6.396 367 HD21 ASN 51 1HD2 ASN 51 -11.402 0.335 5.261 368 HD22 ASN 51 2HD2 ASN 51 -12.147 0.043 3.730 369 H ASP 52 H ASP 52 -6.810 -0.480 3.630 370 HA ASP 52 HA ASP 52 -7.656 -1.910 1.286 371 HB2 ASP 52 1HB ASP 52 -5.604 0.152 1.919 372 HB3 ASP 52 2HB ASP 52 -5.345 -0.837 0.485 373 H LEU 53 H LEU 53 -6.948 -3.812 0.571 374 HA LEU 53 HA LEU 53 -4.793 -5.134 2.033 375 HB2 LEU 53 1HB LEU 53 -6.957 -6.281 1.732 376 HB3 LEU 53 2HB LEU 53 -6.709 -6.246 -0.012 377 HG LEU 53 HG LEU 53 -4.560 -7.590 0.499 378 HD11 LEU 53 1HD1 LEU 53 -5.884 -8.806 2.787 379 HD12 LEU 53 2HD1 LEU 53 -5.342 -7.157 3.096 380 HD13 LEU 53 3HD1 LEU 53 -4.190 -8.375 2.552 381 HD21 LEU 53 1HD2 LEU 53 -7.383 -8.565 0.558 382 HD22 LEU 53 2HD2 LEU 53 -6.052 -9.707 0.745 383 HD23 LEU 53 3HD2 LEU 53 -6.169 -8.718 -0.711 384 H VAL 54 H VAL 54 -2.811 -4.857 1.255 385 HA VAL 54 HA VAL 54 -2.408 -4.449 -1.609 386 HB VAL 54 HB VAL 54 -0.444 -4.253 0.679 387 HG11 VAL 54 1HG1 VAL 54 0.840 -2.954 -1.167 388 HG12 VAL 54 2HG1 VAL 54 0.899 -4.718 -1.148 389 HG13 VAL 54 3HG1 VAL 54 -0.169 -3.882 -2.275 390 HG21 VAL 54 1HG2 VAL 54 -2.472 -2.532 0.106 391 HG22 VAL 54 2HG2 VAL 54 -0.961 -2.078 0.894 392 HG23 VAL 54 3HG2 VAL 54 -1.152 -1.850 -0.845 393 H VAL 55 H VAL 55 -1.789 -6.037 -2.912 394 HA VAL 55 HA VAL 55 -0.772 -8.522 -1.720 395 HB VAL 55 HB VAL 55 -1.345 -9.558 -3.916 396 HG11 VAL 55 1HG1 VAL 55 -3.964 -8.799 -3.479 397 HG12 VAL 55 2HG1 VAL 55 -3.109 -10.111 -2.667 398 HG13 VAL 55 3HG1 VAL 55 -3.183 -8.513 -1.924 399 HG21 VAL 55 1HG2 VAL 55 -2.827 -8.305 -5.436 400 HG22 VAL 55 2HG2 VAL 55 -2.569 -6.855 -4.466 401 HG23 VAL 55 3HG2 VAL 55 -1.218 -7.591 -5.327 402 H ALA 56 H ALA 56 -0.029 -5.999 -4.022 403 HA ALA 56 HA ALA 56 2.699 -7.057 -4.225 404 HB1 ALA 56 1HB ALA 56 2.727 -7.227 -6.467 405 HB2 ALA 56 2HB ALA 56 0.978 -7.379 -6.289 406 HB3 ALA 56 3HB ALA 56 1.691 -5.817 -6.691 407 H VAL 57 H VAL 57 4.312 -5.507 -4.475 408 HA VAL 57 HA VAL 57 3.470 -2.693 -4.438 409 HB VAL 57 HB VAL 57 5.474 -3.916 -2.536 410 HG11 VAL 57 1HG1 VAL 57 4.588 -1.117 -2.225 411 HG12 VAL 57 2HG1 VAL 57 6.165 -1.850 -1.927 412 HG13 VAL 57 3HG1 VAL 57 5.674 -1.448 -3.573 413 HG21 VAL 57 1HG2 VAL 57 3.900 -3.913 -0.931 414 HG22 VAL 57 2HG2 VAL 57 3.179 -2.406 -1.497 415 HG23 VAL 57 3HG2 VAL 57 2.771 -3.930 -2.285 416 H ASN 58 H ASN 58 4.541 -1.520 -5.882 417 HA ASN 58 HA ASN 58 6.067 -0.879 -7.442 418 HB2 ASN 58 1HB ASN 58 7.869 -2.169 -5.397 419 HB3 ASN 58 2HB ASN 58 8.502 -1.391 -6.845 420 HD21 ASN 58 1HD2 ASN 58 8.683 -0.768 -3.926 421 HD22 ASN 58 2HD2 ASN 58 8.198 0.886 -3.802 422 H GLY 59 H GLY 59 4.690 -3.353 -7.873 423 HA2 GLY 59 1HA GLY 59 4.705 -4.998 -9.483 424 HA3 GLY 59 2HA GLY 59 6.256 -4.374 -10.023 425 H LYS 60 H LYS 60 5.549 -5.517 -6.771 426 HA LYS 60 HA LYS 60 7.000 -8.001 -7.274 427 HB2 LYS 60 1HB LYS 60 7.814 -5.999 -5.157 428 HB3 LYS 60 2HB LYS 60 8.466 -7.625 -5.315 429 HG2 LYS 60 1HG LYS 60 9.083 -6.864 -7.719 430 HG3 LYS 60 2HG LYS 60 8.889 -5.239 -7.058 431 HD2 LYS 60 1HD LYS 60 10.563 -7.236 -5.595 432 HD3 LYS 60 2HD LYS 60 11.226 -6.415 -7.011 433 HE2 LYS 60 1HE LYS 60 10.054 -5.048 -4.590 434 HE3 LYS 60 2HE LYS 60 11.776 -5.267 -4.898 435 HZ1 LYS 60 1HZ LYS 60 11.387 -4.017 -7.026 436 HZ2 LYS 60 2HZ LYS 60 11.240 -3.105 -5.610 437 HZ3 LYS 60 3HZ LYS 60 9.854 -3.617 -6.433 438 H SER 61 H SER 61 5.745 -9.558 -6.509 439 HA SER 61 HA SER 61 3.523 -9.267 -4.906 440 HB2 SER 61 1HB SER 61 3.402 -11.597 -4.834 441 HB3 SER 61 2HB SER 61 4.377 -11.316 -6.276 442 HG SER 61 HG SER 61 6.157 -11.438 -4.489 443 H VAL 62 H VAL 62 3.421 -8.437 -2.931 444 HA VAL 62 HA VAL 62 5.584 -9.013 -1.025 445 HB VAL 62 HB VAL 62 4.896 -7.083 0.222 446 HG11 VAL 62 1HG1 VAL 62 5.931 -6.982 -2.335 447 HG12 VAL 62 2HG1 VAL 62 4.658 -5.761 -2.352 448 HG13 VAL 62 3HG1 VAL 62 5.947 -5.676 -1.151 449 HG21 VAL 62 1HG2 VAL 62 2.647 -6.720 -1.753 450 HG22 VAL 62 2HG2 VAL 62 2.454 -7.395 -0.135 451 HG23 VAL 62 3HG2 VAL 62 2.990 -5.727 -0.336 452 H GLU 63 H GLU 63 2.260 -9.580 -1.695 453 HA GLU 63 HA GLU 63 1.129 -9.986 0.780 454 HB2 GLU 63 1HB GLU 63 -0.548 -11.132 -0.298 455 HB3 GLU 63 2HB GLU 63 0.182 -10.285 -1.654 456 HG2 GLU 63 1HG GLU 63 1.575 -12.384 -2.007 457 HG3 GLU 63 2HG GLU 63 0.459 -13.170 -0.892 458 H ALA 64 H ALA 64 3.606 -11.813 -0.769 459 HA ALA 64 HA ALA 64 3.265 -14.178 0.844 460 HB1 ALA 64 1HB ALA 64 5.759 -13.547 -0.682 461 HB2 ALA 64 2HB ALA 64 5.004 -15.110 -0.370 462 HB3 ALA 64 3HB ALA 64 4.279 -13.997 -1.530 463 H LEU 65 H LEU 65 5.133 -11.233 0.970 464 HA LEU 65 HA LEU 65 6.968 -12.125 2.972 465 HB2 LEU 65 1HB LEU 65 6.268 -9.513 1.724 466 HB3 LEU 65 2HB LEU 65 7.174 -9.512 3.235 467 HG LEU 65 HG LEU 65 8.098 -11.020 0.802 468 HD11 LEU 65 1HD1 LEU 65 8.042 -8.841 -0.019 469 HD12 LEU 65 2HD1 LEU 65 9.687 -9.018 0.590 470 HD13 LEU 65 3HD1 LEU 65 8.486 -8.140 1.537 471 HD21 LEU 65 1HD2 LEU 65 9.936 -11.508 1.990 472 HD22 LEU 65 2HD2 LEU 65 8.930 -11.141 3.391 473 HD23 LEU 65 3HD2 LEU 65 10.005 -9.908 2.729 474 H ASP 66 H ASP 66 7.094 -10.563 5.017 475 HA ASP 66 HA ASP 66 4.465 -10.769 6.324 476 HB2 ASP 66 1HB ASP 66 5.526 -11.265 8.339 477 HB3 ASP 66 2HB ASP 66 6.538 -12.094 7.160 478 H HIS 67 H HIS 67 4.490 -9.209 8.380 479 HA HIS 67 HA HIS 67 3.924 -6.695 7.647 480 HB2 HIS 67 1HB HIS 67 3.559 -7.350 9.915 481 HB3 HIS 67 2HB HIS 67 5.282 -7.593 10.189 482 HD1 HIS 67 1HD HIS 67 2.740 -5.291 10.980 483 HD2 HIS 67 2HD HIS 67 6.680 -4.900 9.720 484 HE1 HIS 67 1HE HIS 67 3.428 -2.963 11.637 485 HE2 HIS 67 2HE HIS 67 5.788 -2.720 10.789 486 H ASP 68 H ASP 68 7.128 -7.437 9.033 487 HA ASP 68 HA ASP 68 8.329 -5.025 8.308 488 HB2 ASP 68 1HB ASP 68 9.732 -7.689 8.580 489 HB3 ASP 68 2HB ASP 68 10.440 -6.090 8.790 490 H GLY 69 H GLY 69 8.522 -8.189 6.670 491 HA2 GLY 69 1HA GLY 69 10.128 -7.626 4.553 492 HA3 GLY 69 2HA GLY 69 8.715 -8.663 4.418 493 H VAL 70 H VAL 70 6.587 -7.197 4.415 494 HA VAL 70 HA VAL 70 6.509 -5.931 1.938 495 HB VAL 70 HB VAL 70 4.631 -5.551 4.274 496 HG11 VAL 70 1HG1 VAL 70 4.390 -4.822 1.365 497 HG12 VAL 70 2HG1 VAL 70 2.995 -4.975 2.435 498 HG13 VAL 70 3HG1 VAL 70 4.237 -3.768 2.770 499 HG21 VAL 70 1HG2 VAL 70 5.160 -7.862 2.922 500 HG22 VAL 70 2HG2 VAL 70 3.643 -7.494 3.743 501 HG23 VAL 70 3HG2 VAL 70 3.799 -7.209 2.010 502 H VAL 71 H VAL 71 5.973 -4.256 5.040 503 HA VAL 71 HA VAL 71 6.159 -1.674 4.240 504 HB VAL 71 HB VAL 71 7.313 -2.854 6.769 505 HG11 VAL 71 1HG1 VAL 71 7.071 -0.045 5.822 506 HG12 VAL 71 2HG1 VAL 71 6.778 -0.386 7.528 507 HG13 VAL 71 3HG1 VAL 71 8.328 -0.805 6.797 508 HG21 VAL 71 1HG2 VAL 71 4.737 -2.865 5.999 509 HG22 VAL 71 2HG2 VAL 71 5.248 -2.732 7.682 510 HG23 VAL 71 3HG2 VAL 71 4.815 -1.283 6.775 511 H GLU 72 H GLU 72 8.724 -3.982 4.308 512 HA GLU 72 HA GLU 72 10.909 -2.172 4.354 513 HB2 GLU 72 1HB GLU 72 10.875 -4.731 4.770 514 HB3 GLU 72 2HB GLU 72 11.005 -4.862 3.022 515 HG2 GLU 72 1HG GLU 72 13.089 -3.665 3.035 516 HG3 GLU 72 2HG GLU 72 12.941 -3.357 4.764 517 H MET 73 H MET 73 9.460 -4.016 1.664 518 HA MET 73 HA MET 73 10.889 -3.112 -0.450 519 HB2 MET 73 1HB MET 73 7.878 -3.387 -0.398 520 HB3 MET 73 2HB MET 73 8.889 -3.411 -1.837 521 HG2 MET 73 1HG MET 73 9.191 -5.401 0.389 522 HG3 MET 73 2HG MET 73 8.096 -5.643 -0.970 523 HE1 MET 73 1HE MET 73 10.189 -7.194 -3.560 524 HE2 MET 73 2HE MET 73 8.960 -7.580 -2.356 525 HE3 MET 73 3HE MET 73 8.783 -6.146 -3.369 526 H ILE 74 H ILE 74 8.089 -1.429 0.964 527 HA ILE 74 HA ILE 74 8.002 0.765 -0.718 528 HB ILE 74 HB ILE 74 7.439 0.719 2.249 529 HG12 ILE 74 1HG1 ILE 74 5.017 0.696 1.128 530 HG13 ILE 74 2HG1 ILE 74 5.903 -0.095 -0.171 531 HG21 ILE 74 1HG2 ILE 74 5.777 2.588 1.191 532 HG22 ILE 74 2HG2 ILE 74 7.320 2.943 1.966 533 HG23 ILE 74 3HG2 ILE 74 7.224 2.817 0.210 534 HD11 ILE 74 1HD1 ILE 74 5.798 -2.008 0.923 535 HD12 ILE 74 2HD1 ILE 74 6.668 -1.295 2.282 536 HD13 ILE 74 3HD1 ILE 74 4.907 -1.214 2.222 537 H ARG 75 H ARG 75 10.009 0.237 2.146 538 HA ARG 75 HA ARG 75 11.144 2.829 2.213 539 HB2 ARG 75 1HB ARG 75 11.849 0.180 3.412 540 HB3 ARG 75 2HB ARG 75 13.017 1.493 3.483 541 HG2 ARG 75 1HG ARG 75 11.343 2.896 4.611 542 HG3 ARG 75 2HG ARG 75 10.216 1.539 4.584 543 HD2 ARG 75 1HD ARG 75 11.268 1.643 6.745 544 HD3 ARG 75 2HD ARG 75 11.848 0.214 5.890 545 HE ARG 75 HE ARG 75 13.558 2.475 5.527 546 HH11 ARG 75 2HH1 ARG 75 12.741 -0.125 7.694 547 HH12 ARG 75 1HH1 ARG 75 14.304 -0.167 8.441 548 HH21 ARG 75 2HH2 ARG 75 15.619 2.429 6.503 549 HH22 ARG 75 1HH2 ARG 75 15.940 1.287 7.763 550 H LYS 76 H LYS 76 11.751 0.045 0.278 551 HA LYS 76 HA LYS 76 14.425 0.781 -0.485 552 HB2 LYS 76 1HB LYS 76 12.588 -1.135 -1.920 553 HB3 LYS 76 2HB LYS 76 14.346 -1.091 -1.969 554 HG2 LYS 76 1HG LYS 76 13.018 -1.522 0.654 555 HG3 LYS 76 2HG LYS 76 13.055 -2.851 -0.507 556 HD2 LYS 76 1HD LYS 76 15.015 -3.240 0.611 557 HD3 LYS 76 2HD LYS 76 15.601 -2.181 -0.674 558 HE2 LYS 76 1HE LYS 76 14.996 -0.308 1.093 559 HE3 LYS 76 2HE LYS 76 15.229 -1.637 2.228 560 HZ1 LYS 76 1HZ LYS 76 17.313 -0.649 2.040 561 HZ2 LYS 76 2HZ LYS 76 17.190 -0.447 0.366 562 HZ3 LYS 76 3HZ LYS 76 17.423 -1.992 1.016 563 H GLY 77 H GLY 77 11.210 1.479 -1.576 564 HA2 GLY 77 1HA GLY 77 11.667 2.160 -4.242 565 HA3 GLY 77 2HA GLY 77 10.422 2.868 -3.223 566 H GLY 78 H GLY 78 12.478 3.886 -1.321 567 HA2 GLY 78 1HA GLY 78 14.132 5.573 -1.240 568 HA3 GLY 78 2HA GLY 78 13.874 5.875 -2.952 569 H ASP 79 H ASP 79 11.860 6.960 -3.568 570 HA ASP 79 HA ASP 79 10.866 8.719 -1.423 571 HB2 ASP 79 1HB ASP 79 10.570 10.445 -3.259 572 HB3 ASP 79 2HB ASP 79 12.234 10.085 -2.807 573 H GLN 80 H GLN 80 10.095 7.459 -4.664 574 HA GLN 80 HA GLN 80 7.247 7.545 -3.927 575 HB2 GLN 80 1HB GLN 80 6.703 7.744 -6.229 576 HB3 GLN 80 2HB GLN 80 8.015 8.878 -5.933 577 HG2 GLN 80 1HG GLN 80 9.607 7.320 -6.896 578 HG3 GLN 80 2HG GLN 80 8.321 6.142 -7.150 579 HE21 GLN 80 1HE2 GLN 80 6.666 6.643 -8.673 580 HE22 GLN 80 2HE2 GLN 80 6.978 7.729 -9.979 581 H THR 81 H THR 81 5.901 5.773 -4.529 582 HA THR 81 HA THR 81 7.081 3.329 -5.492 583 HB THR 81 HB THR 81 7.769 3.170 -3.167 584 HG1 THR 81 1HG THR 81 5.573 1.496 -3.870 585 HG21 THR 81 1HG2 THR 81 6.523 3.833 -1.430 586 HG22 THR 81 2HG2 THR 81 5.125 2.913 -1.985 587 HG23 THR 81 3HG2 THR 81 5.422 4.532 -2.616 588 H THR 82 H THR 82 5.588 2.050 -6.438 589 HA THR 82 HA THR 82 2.824 2.980 -6.401 590 HB THR 82 HB THR 82 4.172 0.928 -8.168 591 HG1 THR 82 1HG THR 82 4.854 3.070 -8.578 592 HG21 THR 82 1HG2 THR 82 1.605 0.802 -7.697 593 HG22 THR 82 2HG2 THR 82 2.199 0.685 -9.353 594 HG23 THR 82 3HG2 THR 82 1.534 2.207 -8.760 595 H LEU 83 H LEU 83 1.113 1.808 -5.676 596 HA LEU 83 HA LEU 83 1.715 -0.800 -4.441 597 HB2 LEU 83 1HB LEU 83 -0.551 0.851 -3.463 598 HB3 LEU 83 2HB LEU 83 0.468 -0.294 -2.593 599 HG LEU 83 HG LEU 83 1.204 2.525 -3.380 600 HD11 LEU 83 1HD1 LEU 83 0.180 1.252 -0.909 601 HD12 LEU 83 2HD1 LEU 83 -0.081 2.876 -1.543 602 HD13 LEU 83 3HD1 LEU 83 1.435 2.479 -0.733 603 HD21 LEU 83 1HD2 LEU 83 3.029 0.687 -3.373 604 HD22 LEU 83 2HD2 LEU 83 2.839 0.740 -1.620 605 HD23 LEU 83 3HD2 LEU 83 3.321 2.192 -2.501 606 H LEU 84 H LEU 84 -0.008 -2.352 -4.405 607 HA LEU 84 HA LEU 84 -2.127 -1.867 -6.386 608 HB2 LEU 84 1HB LEU 84 -0.385 -3.180 -7.448 609 HB3 LEU 84 2HB LEU 84 -0.425 -4.341 -6.123 610 HG LEU 84 HG LEU 84 -2.714 -4.977 -6.781 611 HD11 LEU 84 1HD1 LEU 84 -3.045 -4.120 -9.340 612 HD12 LEU 84 2HD1 LEU 84 -2.364 -2.687 -8.572 613 HD13 LEU 84 3HD1 LEU 84 -3.835 -3.416 -7.929 614 HD21 LEU 84 1HD2 LEU 84 -0.902 -6.305 -7.615 615 HD22 LEU 84 2HD2 LEU 84 -0.593 -5.154 -8.916 616 HD23 LEU 84 3HD2 LEU 84 -2.082 -6.101 -8.910 617 H VAL 85 H VAL 85 -3.798 -1.675 -4.970 618 HA VAL 85 HA VAL 85 -4.209 -3.848 -3.030 619 HB VAL 85 HB VAL 85 -5.728 -2.379 -1.852 620 HG11 VAL 85 1HG1 VAL 85 -2.962 -1.911 -2.186 621 HG12 VAL 85 2HG1 VAL 85 -3.748 -0.337 -2.048 622 HG13 VAL 85 3HG1 VAL 85 -3.969 -1.548 -0.784 623 HG21 VAL 85 1HG2 VAL 85 -5.105 -0.083 -3.646 624 HG22 VAL 85 2HG2 VAL 85 -6.357 -1.226 -4.130 625 HG23 VAL 85 3HG2 VAL 85 -6.503 -0.354 -2.605 626 H LEU 86 H LEU 86 -6.332 -4.743 -2.784 627 HA LEU 86 HA LEU 86 -7.794 -4.821 -5.324 628 HB2 LEU 86 1HB LEU 86 -7.382 -6.718 -3.082 629 HB3 LEU 86 2HB LEU 86 -8.919 -6.800 -3.941 630 HG LEU 86 HG LEU 86 -7.206 -8.415 -4.745 631 HD11 LEU 86 1HD1 LEU 86 -7.596 -8.006 -7.107 632 HD12 LEU 86 2HD1 LEU 86 -8.062 -6.342 -6.759 633 HD13 LEU 86 3HD1 LEU 86 -9.055 -7.675 -6.172 634 HD21 LEU 86 1HD2 LEU 86 -5.130 -7.494 -4.705 635 HD22 LEU 86 2HD2 LEU 86 -5.709 -5.888 -5.146 636 HD23 LEU 86 3HD2 LEU 86 -5.544 -7.136 -6.382 637 H ASP 87 H ASP 87 -9.976 -4.423 -5.463 638 HA ASP 87 HA ASP 87 -11.079 -2.729 -3.409 639 HB2 ASP 87 1HB ASP 87 -11.332 -2.581 -6.026 640 HB3 ASP 87 2HB ASP 87 -12.677 -3.684 -5.752 641 H LYS 88 H LYS 88 -11.600 -5.984 -4.618 642 HA LYS 88 HA LYS 88 -13.768 -6.374 -2.680 643 HB2 LYS 88 1HB LYS 88 -13.830 -7.048 -5.229 644 HB3 LYS 88 2HB LYS 88 -12.961 -8.466 -4.657 645 HG2 LYS 88 1HG LYS 88 -15.212 -9.093 -4.660 646 HG3 LYS 88 2HG LYS 88 -14.841 -8.746 -2.969 647 HD2 LYS 88 1HD LYS 88 -16.880 -7.676 -3.292 648 HD3 LYS 88 2HD LYS 88 -15.708 -6.372 -3.504 649 HE2 LYS 88 1HE LYS 88 -15.931 -6.423 -5.852 650 HE3 LYS 88 2HE LYS 88 -16.771 -7.972 -5.817 651 HZ1 LYS 88 1HZ LYS 88 -18.618 -6.758 -5.918 652 HZ2 LYS 88 2HZ LYS 88 -17.821 -5.320 -5.520 653 HZ3 LYS 88 3HZ LYS 88 -18.341 -6.365 -4.296 654 H GLU 89 H GLU 89 -13.784 -8.353 -1.402 655 HA GLU 89 HA GLU 89 -12.813 -9.603 0.245 656 HB2 GLU 89 1HB GLU 89 -11.404 -11.339 -0.523 657 HB3 GLU 89 2HB GLU 89 -12.451 -10.947 -1.880 658 HG2 GLU 89 1HG GLU 89 -10.746 -9.925 -3.069 659 HG3 GLU 89 2HG GLU 89 -9.755 -9.683 -1.631 660 H ALA 90 H ALA 90 -11.794 -6.839 -0.155 661 HA ALA 90 HA ALA 90 -9.013 -7.073 0.714 662 HB1 ALA 90 1HB ALA 90 -10.282 -4.413 0.500 663 HB2 ALA 90 2HB ALA 90 -8.689 -4.959 -0.024 664 HB3 ALA 90 3HB ALA 90 -10.112 -5.332 -0.996 665 H GLU 91 H GLU 91 -12.074 -5.625 1.808 666 HA GLU 91 HA GLU 91 -10.979 -4.971 4.393 667 HB2 GLU 91 1HB GLU 91 -13.124 -4.050 4.896 668 HB3 GLU 91 2HB GLU 91 -12.745 -3.613 3.236 669 HG2 GLU 91 1HG GLU 91 -14.218 -5.306 2.392 670 HG3 GLU 91 2HG GLU 91 -14.500 -5.928 4.018 671 H SER 92 H SER 92 -11.175 -6.081 6.258 672 HA SER 92 HA SER 92 -12.717 -8.592 6.187 673 HB2 SER 92 1HB SER 92 -10.963 -9.461 7.812 674 HB3 SER 92 2HB SER 92 -10.423 -9.231 6.149 675 HG SER 92 HG SER 92 -10.126 -7.124 7.971 676 H ILE 93 H ILE 93 -13.974 -9.074 7.926 677 HA ILE 93 HA ILE 93 -15.015 -7.088 9.521 678 HB ILE 93 HB ILE 93 -14.870 -10.047 10.100 679 HG12 ILE 93 1HG1 ILE 93 -16.067 -9.087 8.003 680 HG13 ILE 93 2HG1 ILE 93 -16.922 -10.251 9.009 681 HG21 ILE 93 1HG2 ILE 93 -16.731 -9.669 11.650 682 HG22 ILE 93 2HG2 ILE 93 -15.274 -8.815 12.157 683 HG23 ILE 93 3HG2 ILE 93 -16.591 -7.931 11.386 684 HD11 ILE 93 1HD1 ILE 93 -18.347 -8.652 9.867 685 HD12 ILE 93 2HD1 ILE 93 -17.257 -7.322 9.476 686 HD13 ILE 93 3HD1 ILE 93 -18.149 -8.139 8.192 687 H TYR 94 H TYR 94 -14.752 -6.462 11.676 688 HA TYR 94 HA TYR 94 -12.224 -7.287 12.942 689 HB2 TYR 94 1HB TYR 94 -12.232 -4.853 13.848 690 HB3 TYR 94 2HB TYR 94 -11.682 -5.145 12.202 691 HD1 TYR 94 2HD TYR 94 -13.135 -4.554 10.289 692 HD2 TYR 94 1HD TYR 94 -14.209 -3.580 14.289 693 HE1 TYR 94 2HE TYR 94 -14.790 -2.942 9.446 694 HE2 TYR 94 1HE TYR 94 -15.868 -1.966 13.457 695 HH TYR 94 HH TYR 94 -17.088 -1.928 10.530 696 H SER 95 H SER 95 -12.335 -7.818 15.042 697 HA SER 95 HA SER 95 -14.925 -7.447 16.391 698 HB2 SER 95 1HB SER 95 -14.259 -9.799 16.022 699 HB3 SER 95 2HB SER 95 -12.780 -9.514 16.939 700 HG SER 95 HG SER 95 -13.985 -10.109 18.561 701 H LEU 96 H LEU 96 -13.930 -5.223 16.778 702 HA LEU 96 HA LEU 96 -11.811 -4.980 18.667 703 HB2 LEU 96 1HB LEU 96 -12.182 -3.151 17.221 704 HB3 LEU 96 2HB LEU 96 -13.893 -3.076 17.636 705 HG LEU 96 HG LEU 96 -13.112 -2.417 19.981 706 HD11 LEU 96 1HD1 LEU 96 -10.729 -3.124 19.483 707 HD12 LEU 96 2HD1 LEU 96 -10.941 -1.558 20.265 708 HD13 LEU 96 3HD1 LEU 96 -10.594 -1.641 18.538 709 HD21 LEU 96 1HD2 LEU 96 -12.757 -0.051 19.262 710 HD22 LEU 96 2HD2 LEU 96 -14.178 -0.823 18.559 711 HD23 LEU 96 3HD2 LEU 96 -12.715 -0.623 17.594 712 H SER 97 H SER 97 -11.968 -4.192 20.839 713 HA SER 97 HA SER 97 -14.554 -4.694 22.145 714 HB2 SER 97 1HB SER 97 -11.850 -5.779 22.930 715 HB3 SER 97 2HB SER 97 -13.190 -5.679 24.073 716 HG SER 97 HG SER 97 -14.141 -7.299 23.106 717 H GLY 98 H GLY 98 -14.446 -3.896 24.514 718 HA2 GLY 98 1HA GLY 98 -12.698 -2.009 25.471 719 HA3 GLY 98 2HA GLY 98 -13.781 -1.112 24.416 720 HA PRO 99 HA PRO 99 -16.339 -2.911 28.147 721 HB2 PRO 99 1HB PRO 99 -14.856 -3.459 30.353 722 HB3 PRO 99 2HB PRO 99 -15.223 -4.669 29.118 723 HG2 PRO 99 1HG PRO 99 -12.735 -3.048 29.502 724 HG3 PRO 99 2HG PRO 99 -12.900 -4.769 29.105 725 HD2 PRO 99 1HD PRO 99 -12.343 -2.890 27.236 726 HD3 PRO 99 2HD PRO 99 -13.291 -4.346 26.873 727 H SER 100 H SER 100 -17.236 -1.632 29.760 728 HA SER 100 HA SER 100 -16.450 1.062 29.851 729 HB2 SER 100 1HB SER 100 -18.768 0.227 30.268 730 HB3 SER 100 2HB SER 100 -18.227 -0.381 31.833 731 HG SER 100 HG SER 100 -18.005 1.641 32.565 732 H SER 101 H SER 101 -14.426 1.473 30.585 733 HA SER 101 HA SER 101 -13.759 0.549 33.302 734 HB2 SER 101 1HB SER 101 -12.026 1.164 30.917 735 HB3 SER 101 2HB SER 101 -11.361 1.132 32.550 736 HG SER 101 HG SER 101 -11.816 -0.916 30.947 737 H GLY 102 H GLY 102 -13.019 3.273 31.111 738 HA2 GLY 102 1HA GLY 102 -12.581 5.487 31.593 739 HA3 GLY 102 2HA GLY 102 -14.059 5.347 32.532 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -8.438 -5.961 -26.055 2 HA2 GLY 1 1HA GLY 1 -6.377 -6.730 -24.107 3 HA3 GLY 1 2HA GLY 1 -7.644 -5.541 -23.844 4 H SER 2 H SER 2 -7.516 -7.071 -21.816 5 HA SER 2 HA SER 2 -9.150 -9.461 -22.179 6 HB2 SER 2 1HB SER 2 -7.652 -8.356 -19.798 7 HB3 SER 2 2HB SER 2 -8.680 -9.786 -19.715 8 HG SER 2 HG SER 2 -6.154 -9.530 -20.670 9 H SER 3 H SER 3 -10.962 -9.854 -20.685 10 HA SER 3 HA SER 3 -12.596 -7.444 -20.460 11 HB2 SER 3 1HB SER 3 -14.448 -9.115 -20.018 12 HB3 SER 3 2HB SER 3 -13.690 -9.237 -21.606 13 HG SER 3 HG SER 3 -12.617 -10.774 -19.543 14 H GLY 4 H GLY 4 -13.064 -6.498 -18.580 15 HA2 GLY 4 1HA GLY 4 -13.323 -6.166 -16.316 16 HA3 GLY 4 2HA GLY 4 -13.310 -7.912 -16.119 17 H SER 5 H SER 5 -12.012 -5.702 -14.581 18 HA SER 5 HA SER 5 -9.306 -6.844 -14.597 19 HB2 SER 5 1HB SER 5 -8.297 -4.661 -14.306 20 HB3 SER 5 2HB SER 5 -9.293 -4.633 -15.761 21 HG SER 5 HG SER 5 -10.974 -3.821 -14.154 22 H SER 6 H SER 6 -8.126 -6.434 -12.558 23 HA SER 6 HA SER 6 -9.793 -5.814 -10.248 24 HB2 SER 6 1HB SER 6 -8.492 -8.496 -10.725 25 HB3 SER 6 2HB SER 6 -8.948 -7.940 -9.115 26 HG SER 6 HG SER 6 -11.096 -7.766 -9.863 27 H GLY 7 H GLY 7 -8.660 -5.044 -8.501 28 HA2 GLY 7 1HA GLY 7 -6.782 -4.524 -7.209 29 HA3 GLY 7 2HA GLY 7 -5.762 -5.254 -8.440 30 H ARG 8 H ARG 8 -6.699 -2.386 -7.044 31 HA ARG 8 HA ARG 8 -6.387 -0.721 -9.391 32 HB2 ARG 8 1HB ARG 8 -6.753 1.147 -7.882 33 HB3 ARG 8 2HB ARG 8 -7.962 -0.097 -7.598 34 HG2 ARG 8 1HG ARG 8 -6.728 -0.863 -5.639 35 HG3 ARG 8 2HG ARG 8 -5.500 0.370 -5.929 36 HD2 ARG 8 1HD ARG 8 -8.417 0.938 -5.418 37 HD3 ARG 8 2HD ARG 8 -7.154 1.000 -4.189 38 HE ARG 8 HE ARG 8 -6.405 2.991 -5.085 39 HH11 ARG 8 2HH1 ARG 8 -8.794 1.556 -7.171 40 HH12 ARG 8 1HH1 ARG 8 -8.977 2.972 -8.152 41 HH21 ARG 8 2HH2 ARG 8 -6.638 4.862 -6.368 42 HH22 ARG 8 1HH2 ARG 8 -7.750 4.852 -7.695 43 H VAL 9 H VAL 9 -4.818 1.132 -9.302 44 HA VAL 9 HA VAL 9 -2.230 0.193 -8.247 45 HB VAL 9 HB VAL 9 -2.780 1.868 -10.700 46 HG11 VAL 9 1HG1 VAL 9 -0.267 1.505 -11.036 47 HG12 VAL 9 2HG1 VAL 9 -0.770 2.713 -9.852 48 HG13 VAL 9 3HG1 VAL 9 -0.224 1.123 -9.315 49 HG21 VAL 9 1HG2 VAL 9 -2.296 -0.994 -10.227 50 HG22 VAL 9 2HG2 VAL 9 -3.118 -0.187 -11.563 51 HG23 VAL 9 3HG2 VAL 9 -1.357 -0.278 -11.537 52 H VAL 10 H VAL 10 -1.614 1.330 -6.536 53 HA VAL 10 HA VAL 10 -2.427 4.139 -6.304 54 HB VAL 10 HB VAL 10 -1.115 2.496 -4.148 55 HG11 VAL 10 1HG1 VAL 10 -1.582 4.205 -2.744 56 HG12 VAL 10 2HG1 VAL 10 -1.548 5.145 -4.237 57 HG13 VAL 10 3HG1 VAL 10 -3.089 4.612 -3.564 58 HG21 VAL 10 1HG2 VAL 10 -2.966 1.319 -3.797 59 HG22 VAL 10 2HG2 VAL 10 -3.948 2.784 -3.777 60 HG23 VAL 10 3HG2 VAL 10 -3.615 1.965 -5.304 61 H VAL 11 H VAL 11 -0.948 5.784 -5.921 62 HA VAL 11 HA VAL 11 1.901 5.119 -6.050 63 HB VAL 11 HB VAL 11 0.592 7.144 -7.871 64 HG11 VAL 11 1HG1 VAL 11 3.284 6.517 -8.570 65 HG12 VAL 11 2HG1 VAL 11 2.592 8.075 -8.113 66 HG13 VAL 11 3HG1 VAL 11 3.232 6.994 -6.874 67 HG21 VAL 11 1HG2 VAL 11 1.671 4.384 -8.334 68 HG22 VAL 11 2HG2 VAL 11 0.117 5.063 -8.821 69 HG23 VAL 11 3HG2 VAL 11 1.596 5.571 -9.637 70 H ILE 12 H ILE 12 2.906 6.125 -4.450 71 HA ILE 12 HA ILE 12 1.964 8.794 -3.641 72 HB ILE 12 HB ILE 12 3.036 6.764 -1.691 73 HG12 ILE 12 1HG1 ILE 12 0.134 7.481 -1.821 74 HG13 ILE 12 2HG1 ILE 12 0.759 6.256 -2.921 75 HG21 ILE 12 1HG2 ILE 12 2.064 9.543 -1.554 76 HG22 ILE 12 2HG2 ILE 12 1.524 8.471 -0.263 77 HG23 ILE 12 3HG2 ILE 12 3.248 8.701 -0.554 78 HD11 ILE 12 1HD1 ILE 12 1.540 5.895 -0.123 79 HD12 ILE 12 2HD1 ILE 12 -0.191 5.765 -0.438 80 HD13 ILE 12 3HD1 ILE 12 0.943 4.727 -1.302 81 H LYS 13 H LYS 13 3.550 10.218 -2.839 82 HA LYS 13 HA LYS 13 6.339 9.375 -3.252 83 HB2 LYS 13 1HB LYS 13 5.566 12.176 -3.913 84 HB3 LYS 13 2HB LYS 13 6.849 11.178 -4.586 85 HG2 LYS 13 1HG LYS 13 5.278 9.950 -5.916 86 HG3 LYS 13 2HG LYS 13 3.919 10.769 -5.143 87 HD2 LYS 13 1HD LYS 13 4.627 12.890 -6.088 88 HD3 LYS 13 2HD LYS 13 6.050 12.124 -6.797 89 HE2 LYS 13 1HE LYS 13 4.624 10.736 -8.198 90 HE3 LYS 13 2HE LYS 13 3.187 11.440 -7.458 91 HZ1 LYS 13 1HZ LYS 13 3.388 12.670 -9.366 92 HZ2 LYS 13 2HZ LYS 13 5.079 12.650 -9.352 93 HZ3 LYS 13 3HZ LYS 13 4.236 13.649 -8.278 94 H LYS 14 H LYS 14 7.260 9.440 -1.312 95 HA LYS 14 HA LYS 14 6.514 10.507 1.013 96 HB2 LYS 14 1HB LYS 14 8.765 9.335 0.263 97 HB3 LYS 14 2HB LYS 14 9.371 10.986 0.290 98 HG2 LYS 14 1HG LYS 14 8.740 11.210 2.619 99 HG3 LYS 14 2HG LYS 14 8.049 9.585 2.605 100 HD2 LYS 14 1HD LYS 14 10.895 9.955 1.794 101 HD3 LYS 14 2HD LYS 14 10.480 10.011 3.509 102 HE2 LYS 14 1HE LYS 14 9.558 7.810 3.429 103 HE3 LYS 14 2HE LYS 14 9.680 7.762 1.671 104 HZ1 LYS 14 1HZ LYS 14 11.875 7.304 1.743 105 HZ2 LYS 14 2HZ LYS 14 11.481 6.670 3.261 106 HZ3 LYS 14 3HZ LYS 14 12.153 8.218 3.140 107 H GLY 15 H GLY 15 6.219 12.443 1.958 108 HA2 GLY 15 1HA GLY 15 7.015 14.826 0.403 109 HA3 GLY 15 2HA GLY 15 5.551 14.734 1.370 110 H SER 16 H SER 16 5.628 15.206 3.516 111 HA SER 16 HA SER 16 8.250 16.054 4.555 112 HB2 SER 16 1HB SER 16 6.874 17.976 4.435 113 HB3 SER 16 2HB SER 16 5.467 17.107 5.048 114 HG SER 16 HG SER 16 7.075 18.543 6.454 115 H ASN 17 H ASN 17 5.114 14.739 5.619 116 HA ASN 17 HA ASN 17 6.451 13.547 7.940 117 HB2 ASN 17 1HB ASN 17 3.478 13.597 7.447 118 HB3 ASN 17 2HB ASN 17 4.327 13.393 8.976 119 HD21 ASN 17 1HD2 ASN 17 4.457 15.107 10.226 120 HD22 ASN 17 2HD2 ASN 17 4.290 16.750 9.719 121 H GLY 18 H GLY 18 7.077 12.335 5.556 122 HA2 GLY 18 1HA GLY 18 7.311 10.153 4.823 123 HA3 GLY 18 2HA GLY 18 6.160 9.656 6.055 124 H TYR 19 H TYR 19 5.188 8.246 4.523 125 HA TYR 19 HA TYR 19 3.997 9.323 2.133 126 HB2 TYR 19 1HB TYR 19 3.658 6.622 3.452 127 HB3 TYR 19 2HB TYR 19 3.066 7.054 1.852 128 HD1 TYR 19 2HD TYR 19 4.624 7.358 -0.010 129 HD2 TYR 19 1HD TYR 19 6.001 6.182 3.840 130 HE1 TYR 19 2HE TYR 19 6.772 6.674 -0.993 131 HE2 TYR 19 1HE TYR 19 8.154 5.496 2.868 132 HH TYR 19 HH TYR 19 8.937 6.134 -0.493 133 H GLY 20 H GLY 20 2.657 7.805 5.077 134 HA2 GLY 20 1HA GLY 20 0.890 9.058 6.259 135 HA3 GLY 20 2HA GLY 20 0.240 9.459 4.676 136 H PHE 21 H PHE 21 1.484 6.281 5.391 137 HA PHE 21 HA PHE 21 -1.166 5.208 5.910 138 HB2 PHE 21 1HB PHE 21 -1.281 3.781 4.031 139 HB3 PHE 21 2HB PHE 21 -0.816 5.350 3.380 140 HD1 PHE 21 1HD PHE 21 1.660 5.758 2.930 141 HD2 PHE 21 2HD PHE 21 0.009 1.894 3.612 142 HE1 PHE 21 1HE PHE 21 3.624 4.733 1.860 143 HE2 PHE 21 2HE PHE 21 1.971 0.863 2.544 144 HZ PHE 21 HZ PHE 21 3.782 2.283 1.667 145 H TYR 22 H TYR 22 -1.099 3.449 7.187 146 HA TYR 22 HA TYR 22 1.547 2.258 7.700 147 HB2 TYR 22 1HB TYR 22 -0.787 2.384 9.616 148 HB3 TYR 22 2HB TYR 22 0.850 1.844 9.973 149 HD1 TYR 22 1HD TYR 22 -1.062 4.843 8.860 150 HD2 TYR 22 2HD TYR 22 2.409 3.353 10.819 151 HE1 TYR 22 1HE TYR 22 -0.459 7.134 9.521 152 HE2 TYR 22 2HE TYR 22 3.021 5.640 11.487 153 HH TYR 22 HH TYR 22 1.020 8.134 11.554 154 H LEU 23 H LEU 23 1.762 0.061 7.740 155 HA LEU 23 HA LEU 23 -0.579 -1.475 6.834 156 HB2 LEU 23 1HB LEU 23 2.364 -2.042 6.512 157 HB3 LEU 23 2HB LEU 23 1.065 -3.104 5.971 158 HG LEU 23 HG LEU 23 1.318 -0.292 4.948 159 HD11 LEU 23 1HD1 LEU 23 2.831 -0.864 3.340 160 HD12 LEU 23 2HD1 LEU 23 2.407 -2.575 3.388 161 HD13 LEU 23 3HD1 LEU 23 3.405 -1.878 4.664 162 HD21 LEU 23 1HD2 LEU 23 0.144 -2.773 3.702 163 HD22 LEU 23 2HD2 LEU 23 0.011 -1.113 3.120 164 HD23 LEU 23 3HD2 LEU 23 -0.787 -1.589 4.620 165 H ARG 24 H ARG 24 -0.726 -3.722 7.579 166 HA ARG 24 HA ARG 24 0.706 -4.457 9.975 167 HB2 ARG 24 1HB ARG 24 -0.954 -3.056 10.996 168 HB3 ARG 24 2HB ARG 24 -2.239 -3.800 10.053 169 HG2 ARG 24 1HG ARG 24 -1.714 -5.955 11.233 170 HG3 ARG 24 2HG ARG 24 -0.655 -5.024 12.294 171 HD2 ARG 24 1HD ARG 24 -2.478 -3.725 13.103 172 HD3 ARG 24 2HD ARG 24 -3.561 -4.366 11.869 173 HE ARG 24 HE ARG 24 -2.856 -6.585 13.196 174 HH11 ARG 24 2HH1 ARG 24 -3.971 -3.476 14.296 175 HH12 ARG 24 1HH1 ARG 24 -4.740 -4.108 15.714 176 HH21 ARG 24 2HH2 ARG 24 -3.865 -7.430 15.059 177 HH22 ARG 24 1HH2 ARG 24 -4.678 -6.357 16.147 178 H ALA 25 H ALA 25 0.464 -6.647 10.524 179 HA ALA 25 HA ALA 25 -0.089 -8.379 8.358 180 HB1 ALA 25 1HB ALA 25 1.565 -8.879 10.107 181 HB2 ALA 25 2HB ALA 25 0.254 -9.080 11.271 182 HB3 ALA 25 3HB ALA 25 0.395 -10.184 9.902 183 H GLY 26 H GLY 26 -2.117 -8.576 7.608 184 HA2 GLY 26 1HA GLY 26 -4.400 -8.524 9.375 185 HA3 GLY 26 2HA GLY 26 -4.432 -8.733 7.630 186 HA PRO 27 HA PRO 27 -5.568 -12.781 9.563 187 HB2 PRO 27 1HB PRO 27 -7.638 -13.266 7.876 188 HB3 PRO 27 2HB PRO 27 -7.809 -12.318 9.358 189 HG2 PRO 27 1HG PRO 27 -7.489 -11.378 6.534 190 HG3 PRO 27 2HG PRO 27 -8.576 -10.774 7.798 191 HD2 PRO 27 1HD PRO 27 -6.255 -9.535 7.158 192 HD3 PRO 27 2HD PRO 27 -6.918 -9.529 8.805 193 H GLU 28 H GLU 28 -6.353 -14.797 7.992 194 HA GLU 28 HA GLU 28 -4.100 -15.743 6.763 195 HB2 GLU 28 1HB GLU 28 -7.000 -16.369 6.233 196 HB3 GLU 28 2HB GLU 28 -5.692 -17.244 5.450 197 HG2 GLU 28 1HG GLU 28 -4.830 -17.876 7.675 198 HG3 GLU 28 2HG GLU 28 -6.222 -17.079 8.407 199 H GLN 29 H GLN 29 -6.454 -13.535 5.485 200 HA GLN 29 HA GLN 29 -6.217 -13.734 2.781 201 HB2 GLN 29 1HB GLN 29 -7.515 -12.018 4.190 202 HB3 GLN 29 2HB GLN 29 -6.047 -11.052 4.134 203 HG2 GLN 29 1HG GLN 29 -6.221 -10.678 1.862 204 HG3 GLN 29 2HG GLN 29 -7.258 -12.080 1.607 205 HE21 GLN 29 1HE2 GLN 29 -9.398 -11.809 1.597 206 HE22 GLN 29 2HE2 GLN 29 -10.214 -10.335 1.978 207 H LYS 30 H LYS 30 -4.713 -13.379 1.253 208 HA LYS 30 HA LYS 30 -1.985 -13.021 2.070 209 HB2 LYS 30 1HB LYS 30 -3.370 -13.500 -0.546 210 HB3 LYS 30 2HB LYS 30 -1.679 -13.015 -0.524 211 HG2 LYS 30 1HG LYS 30 -1.409 -15.265 -0.528 212 HG3 LYS 30 2HG LYS 30 -1.514 -15.006 1.215 213 HD2 LYS 30 1HD LYS 30 -4.034 -15.472 -0.300 214 HD3 LYS 30 2HD LYS 30 -2.969 -16.848 -0.002 215 HE2 LYS 30 1HE LYS 30 -2.986 -15.857 2.453 216 HE3 LYS 30 2HE LYS 30 -4.525 -15.189 1.914 217 HZ1 LYS 30 1HZ LYS 30 -4.405 -17.879 1.141 218 HZ2 LYS 30 2HZ LYS 30 -5.457 -17.152 2.248 219 HZ3 LYS 30 3HZ LYS 30 -3.982 -17.790 2.777 220 H GLY 31 H GLY 31 -1.264 -11.060 2.606 221 HA2 GLY 31 1HA GLY 31 -0.501 -9.008 1.264 222 HA3 GLY 31 2HA GLY 31 -2.227 -8.740 1.066 223 H GLN 32 H GLN 32 -0.856 -6.731 2.148 224 HA GLN 32 HA GLN 32 -1.220 -6.952 5.056 225 HB2 GLN 32 1HB GLN 32 0.222 -4.764 3.557 226 HB3 GLN 32 2HB GLN 32 0.260 -5.076 5.287 227 HG2 GLN 32 1HG GLN 32 1.319 -6.975 3.208 228 HG3 GLN 32 2HG GLN 32 2.301 -5.784 4.061 229 HE21 GLN 32 1HE2 GLN 32 1.494 -5.916 6.590 230 HE22 GLN 32 2HE2 GLN 32 1.742 -7.493 7.249 231 H ILE 33 H ILE 33 -2.433 -5.433 6.189 232 HA ILE 33 HA ILE 33 -4.431 -4.042 4.562 233 HB ILE 33 HB ILE 33 -4.536 -4.362 7.550 234 HG12 ILE 33 1HG1 ILE 33 -5.679 -6.296 5.526 235 HG13 ILE 33 2HG1 ILE 33 -4.195 -6.583 6.427 236 HG21 ILE 33 1HG2 ILE 33 -6.066 -2.775 6.360 237 HG22 ILE 33 2HG2 ILE 33 -6.758 -4.166 5.528 238 HG23 ILE 33 3HG2 ILE 33 -6.882 -4.037 7.282 239 HD11 ILE 33 1HD1 ILE 33 -6.566 -7.495 7.208 240 HD12 ILE 33 2HD1 ILE 33 -5.292 -7.049 8.344 241 HD13 ILE 33 3HD1 ILE 33 -6.603 -5.920 8.001 242 H ILE 34 H ILE 34 -4.860 -1.866 4.757 243 HA ILE 34 HA ILE 34 -2.730 -0.286 6.000 244 HB ILE 34 HB ILE 34 -4.826 0.488 3.970 245 HG12 ILE 34 1HG1 ILE 34 -1.833 0.096 3.773 246 HG13 ILE 34 2HG1 ILE 34 -3.074 -0.907 3.031 247 HG21 ILE 34 1HG2 ILE 34 -4.495 2.466 5.128 248 HG22 ILE 34 2HG2 ILE 34 -2.803 2.105 5.465 249 HG23 ILE 34 3HG2 ILE 34 -3.297 2.577 3.839 250 HD11 ILE 34 1HD1 ILE 34 -1.868 1.552 2.099 251 HD12 ILE 34 2HD1 ILE 34 -2.792 0.335 1.217 252 HD13 ILE 34 3HD1 ILE 34 -3.630 1.621 2.085 253 H LYS 35 H LYS 35 -3.176 1.485 7.346 254 HA LYS 35 HA LYS 35 -5.783 2.259 8.125 255 HB2 LYS 35 1HB LYS 35 -5.724 1.386 10.453 256 HB3 LYS 35 2HB LYS 35 -5.885 0.123 9.239 257 HG2 LYS 35 1HG LYS 35 -3.247 0.080 9.468 258 HG3 LYS 35 2HG LYS 35 -3.629 0.730 11.064 259 HD2 LYS 35 1HD LYS 35 -3.559 -1.612 11.333 260 HD3 LYS 35 2HD LYS 35 -5.273 -1.193 11.291 261 HE2 LYS 35 1HE LYS 35 -5.137 -1.698 8.784 262 HE3 LYS 35 2HE LYS 35 -3.597 -2.472 9.152 263 HZ1 LYS 35 1HZ LYS 35 -6.292 -3.359 9.719 264 HZ2 LYS 35 2HZ LYS 35 -5.199 -3.568 10.992 265 HZ3 LYS 35 3HZ LYS 35 -4.881 -4.262 9.483 266 H ASP 36 H ASP 36 -5.761 3.835 9.891 267 HA ASP 36 HA ASP 36 -4.885 5.574 11.082 268 HB2 ASP 36 1HB ASP 36 -3.209 3.768 11.813 269 HB3 ASP 36 2HB ASP 36 -2.121 4.470 10.619 270 H ILE 37 H ILE 37 -5.247 5.596 8.202 271 HA ILE 37 HA ILE 37 -3.177 6.845 6.813 272 HB ILE 37 HB ILE 37 -6.163 7.100 6.468 273 HG12 ILE 37 1HG1 ILE 37 -4.083 5.525 4.936 274 HG13 ILE 37 2HG1 ILE 37 -5.202 4.851 6.115 275 HG21 ILE 37 1HG2 ILE 37 -5.838 8.736 5.007 276 HG22 ILE 37 2HG2 ILE 37 -4.106 8.701 5.336 277 HG23 ILE 37 3HG2 ILE 37 -4.782 7.683 4.065 278 HD11 ILE 37 1HD1 ILE 37 -6.198 6.318 3.708 279 HD12 ILE 37 2HD1 ILE 37 -5.754 4.613 3.629 280 HD13 ILE 37 3HD1 ILE 37 -7.034 5.141 4.721 281 H GLU 38 H GLU 38 -2.415 8.879 6.706 282 HA GLU 38 HA GLU 38 -3.388 10.786 8.671 283 HB2 GLU 38 1HB GLU 38 -0.960 10.685 6.894 284 HB3 GLU 38 2HB GLU 38 -1.378 12.128 7.807 285 HG2 GLU 38 1HG GLU 38 -1.355 10.694 9.873 286 HG3 GLU 38 2HG GLU 38 -0.662 9.415 8.878 287 HA PRO 39 HA PRO 39 -5.741 13.190 5.833 288 HB2 PRO 39 1HB PRO 39 -5.705 15.564 7.150 289 HB3 PRO 39 2HB PRO 39 -6.673 14.185 7.683 290 HG2 PRO 39 1HG PRO 39 -4.012 15.130 8.678 291 HG3 PRO 39 2HG PRO 39 -5.416 14.564 9.602 292 HD2 PRO 39 1HD PRO 39 -3.272 12.988 9.099 293 HD3 PRO 39 2HD PRO 39 -4.920 12.343 9.236 294 H GLY 40 H GLY 40 -5.480 14.659 4.171 295 HA2 GLY 40 1HA GLY 40 -4.267 15.752 2.547 296 HA3 GLY 40 2HA GLY 40 -3.678 16.704 3.902 297 H SER 41 H SER 41 -2.999 13.315 3.834 298 HA SER 41 HA SER 41 -0.163 13.927 3.472 299 HB2 SER 41 1HB SER 41 0.305 11.861 4.541 300 HB3 SER 41 2HB SER 41 -1.047 12.554 5.437 301 HG SER 41 HG SER 41 -2.352 11.220 3.861 302 HA PRO 42 HA PRO 42 0.491 12.364 -0.559 303 HB2 PRO 42 1HB PRO 42 2.335 10.366 0.670 304 HB3 PRO 42 2HB PRO 42 2.620 11.491 -0.663 305 HG2 PRO 42 1HG PRO 42 3.592 11.958 1.790 306 HG3 PRO 42 2HG PRO 42 3.021 13.274 0.749 307 HD2 PRO 42 1HD PRO 42 1.781 12.092 3.155 308 HD3 PRO 42 2HD PRO 42 1.658 13.738 2.502 309 H ALA 43 H ALA 43 -0.147 10.078 2.028 310 HA ALA 43 HA ALA 43 -0.785 7.882 0.309 311 HB1 ALA 43 1HB ALA 43 -0.918 8.423 3.221 312 HB2 ALA 43 2HB ALA 43 -1.948 7.142 2.580 313 HB3 ALA 43 3HB ALA 43 -0.201 7.067 2.349 314 H GLU 44 H GLU 44 -2.713 10.201 2.193 315 HA GLU 44 HA GLU 44 -5.218 9.168 1.305 316 HB2 GLU 44 1HB GLU 44 -4.844 10.475 3.423 317 HB3 GLU 44 2HB GLU 44 -4.663 11.915 2.431 318 HG2 GLU 44 1HG GLU 44 -6.864 12.047 3.063 319 HG3 GLU 44 2HG GLU 44 -6.986 11.254 1.493 320 H ALA 45 H ALA 45 -2.980 11.546 0.105 321 HA ALA 45 HA ALA 45 -4.849 12.725 -1.747 322 HB1 ALA 45 1HB ALA 45 -2.001 13.127 -1.041 323 HB2 ALA 45 2HB ALA 45 -2.510 13.613 -2.659 324 HB3 ALA 45 3HB ALA 45 -3.299 14.304 -1.242 325 H ALA 46 H ALA 46 -2.678 10.049 -1.723 326 HA ALA 46 HA ALA 46 -2.297 9.841 -4.543 327 HB1 ALA 46 1HB ALA 46 -0.696 8.817 -3.090 328 HB2 ALA 46 2HB ALA 46 -1.944 7.834 -2.324 329 HB3 ALA 46 3HB ALA 46 -1.500 7.542 -4.006 330 H GLY 47 H GLY 47 -4.755 8.792 -2.313 331 HA2 GLY 47 1HA GLY 47 -6.967 8.426 -3.359 332 HA3 GLY 47 2HA GLY 47 -6.133 7.446 -4.556 333 H LEU 48 H LEU 48 -4.648 6.852 -1.682 334 HA LEU 48 HA LEU 48 -5.372 4.209 -1.470 335 HB2 LEU 48 1HB LEU 48 -4.211 6.195 0.405 336 HB3 LEU 48 2HB LEU 48 -4.780 4.669 1.080 337 HG LEU 48 HG LEU 48 -2.612 5.066 -0.977 338 HD11 LEU 48 1HD1 LEU 48 -2.692 4.300 1.909 339 HD12 LEU 48 2HD1 LEU 48 -1.641 5.448 1.081 340 HD13 LEU 48 3HD1 LEU 48 -1.392 3.715 0.872 341 HD21 LEU 48 1HD2 LEU 48 -3.332 3.087 -1.773 342 HD22 LEU 48 2HD2 LEU 48 -4.253 2.713 -0.316 343 HD23 LEU 48 3HD2 LEU 48 -2.510 2.442 -0.353 344 H LYS 49 H LYS 49 -6.333 3.387 0.806 345 HA LYS 49 HA LYS 49 -8.628 4.815 1.740 346 HB2 LYS 49 1HB LYS 49 -8.962 2.554 -0.210 347 HB3 LYS 49 2HB LYS 49 -10.193 2.880 1.003 348 HG2 LYS 49 1HG LYS 49 -10.053 5.315 0.067 349 HG3 LYS 49 2HG LYS 49 -9.367 4.513 -1.348 350 HD2 LYS 49 1HD LYS 49 -11.932 3.566 -0.112 351 HD3 LYS 49 2HD LYS 49 -11.912 4.895 -1.273 352 HE2 LYS 49 1HE LYS 49 -10.662 3.359 -2.832 353 HE3 LYS 49 2HE LYS 49 -11.009 2.054 -1.700 354 HZ1 LYS 49 1HZ LYS 49 -13.308 2.266 -2.078 355 HZ2 LYS 49 2HZ LYS 49 -12.597 2.308 -3.612 356 HZ3 LYS 49 3HZ LYS 49 -13.134 3.740 -2.889 357 H ASN 50 H ASN 50 -9.232 4.104 3.717 358 HA ASN 50 HA ASN 50 -7.613 2.413 5.194 359 HB2 ASN 50 1HB ASN 50 -10.526 3.064 5.698 360 HB3 ASN 50 2HB ASN 50 -9.393 2.434 6.891 361 HD21 ASN 50 1HD2 ASN 50 -7.424 3.777 7.239 362 HD22 ASN 50 2HD2 ASN 50 -7.624 5.493 7.245 363 H ASN 51 H ASN 51 -7.735 0.283 5.856 364 HA ASN 51 HA ASN 51 -8.280 -1.931 5.809 365 HB2 ASN 51 1HB ASN 51 -10.827 -1.214 4.362 366 HB3 ASN 51 2HB ASN 51 -10.511 -2.618 5.377 367 HD21 ASN 51 1HD2 ASN 51 -11.127 -2.529 7.420 368 HD22 ASN 51 2HD2 ASN 51 -11.580 -1.098 8.275 369 H ASP 52 H ASP 52 -6.809 -0.613 3.694 370 HA ASP 52 HA ASP 52 -7.608 -1.968 1.249 371 HB2 ASP 52 1HB ASP 52 -5.614 0.126 1.971 372 HB3 ASP 52 2HB ASP 52 -5.291 -0.857 0.546 373 H LEU 53 H LEU 53 -6.811 -3.848 0.563 374 HA LEU 53 HA LEU 53 -4.631 -5.066 2.103 375 HB2 LEU 53 1HB LEU 53 -6.756 -6.290 1.989 376 HB3 LEU 53 2HB LEU 53 -6.628 -6.333 0.232 377 HG LEU 53 HG LEU 53 -5.990 -8.427 1.628 378 HD11 LEU 53 1HD1 LEU 53 -5.330 -9.038 -0.395 379 HD12 LEU 53 2HD1 LEU 53 -3.778 -8.248 -0.117 380 HD13 LEU 53 3HD1 LEU 53 -5.104 -7.350 -0.857 381 HD21 LEU 53 1HD2 LEU 53 -4.431 -6.962 3.060 382 HD22 LEU 53 2HD2 LEU 53 -3.314 -7.076 1.700 383 HD23 LEU 53 3HD2 LEU 53 -3.847 -8.539 2.530 384 H VAL 54 H VAL 54 -2.676 -4.959 1.239 385 HA VAL 54 HA VAL 54 -2.386 -4.653 -1.656 386 HB VAL 54 HB VAL 54 -0.240 -4.458 0.459 387 HG11 VAL 54 1HG1 VAL 54 0.460 -2.892 -1.699 388 HG12 VAL 54 2HG1 VAL 54 1.092 -4.499 -1.333 389 HG13 VAL 54 3HG1 VAL 54 -0.264 -4.316 -2.446 390 HG21 VAL 54 1HG2 VAL 54 -1.150 -1.984 -0.801 391 HG22 VAL 54 2HG2 VAL 54 -2.369 -2.755 0.214 392 HG23 VAL 54 3HG2 VAL 54 -0.797 -2.331 0.892 393 H VAL 55 H VAL 55 -1.776 -6.278 -2.922 394 HA VAL 55 HA VAL 55 -0.829 -8.754 -1.664 395 HB VAL 55 HB VAL 55 -1.306 -9.712 -3.999 396 HG11 VAL 55 1HG1 VAL 55 -3.950 -9.185 -3.303 397 HG12 VAL 55 2HG1 VAL 55 -2.962 -10.546 -2.767 398 HG13 VAL 55 3HG1 VAL 55 -3.053 -9.080 -1.789 399 HG21 VAL 55 1HG2 VAL 55 -1.434 -7.525 -5.134 400 HG22 VAL 55 2HG2 VAL 55 -2.888 -8.496 -5.369 401 HG23 VAL 55 3HG2 VAL 55 -2.897 -7.158 -4.219 402 H ALA 56 H ALA 56 0.155 -6.177 -3.726 403 HA ALA 56 HA ALA 56 2.821 -7.335 -3.904 404 HB1 ALA 56 1HB ALA 56 1.505 -8.001 -5.966 405 HB2 ALA 56 2HB ALA 56 1.520 -6.293 -6.405 406 HB3 ALA 56 3HB ALA 56 3.039 -7.175 -6.244 407 H VAL 57 H VAL 57 4.452 -5.764 -4.550 408 HA VAL 57 HA VAL 57 3.612 -2.962 -4.386 409 HB VAL 57 HB VAL 57 5.784 -4.167 -2.666 410 HG11 VAL 57 1HG1 VAL 57 5.639 -1.599 -3.708 411 HG12 VAL 57 2HG1 VAL 57 5.014 -1.443 -2.065 412 HG13 VAL 57 3HG1 VAL 57 6.617 -2.128 -2.340 413 HG21 VAL 57 1HG2 VAL 57 3.579 -2.681 -1.424 414 HG22 VAL 57 2HG2 VAL 57 3.110 -4.204 -2.179 415 HG23 VAL 57 3HG2 VAL 57 4.355 -4.185 -0.930 416 H ASN 58 H ASN 58 4.525 -1.815 -5.951 417 HA ASN 58 HA ASN 58 5.933 -1.142 -7.605 418 HB2 ASN 58 1HB ASN 58 7.775 -2.341 -5.594 419 HB3 ASN 58 2HB ASN 58 8.428 -1.991 -7.191 420 HD21 ASN 58 1HD2 ASN 58 9.295 -0.747 -4.853 421 HD22 ASN 58 2HD2 ASN 58 8.885 0.929 -4.937 422 H GLY 59 H GLY 59 4.527 -3.731 -7.770 423 HA2 GLY 59 1HA GLY 59 4.324 -5.257 -9.506 424 HA3 GLY 59 2HA GLY 59 5.869 -4.704 -10.132 425 H LYS 60 H LYS 60 5.085 -6.014 -6.932 426 HA LYS 60 HA LYS 60 6.341 -8.541 -7.511 427 HB2 LYS 60 1HB LYS 60 7.658 -6.609 -5.594 428 HB3 LYS 60 2HB LYS 60 8.097 -8.302 -5.778 429 HG2 LYS 60 1HG LYS 60 8.525 -7.740 -8.232 430 HG3 LYS 60 2HG LYS 60 8.466 -6.051 -7.722 431 HD2 LYS 60 1HD LYS 60 10.259 -6.491 -6.102 432 HD3 LYS 60 2HD LYS 60 10.326 -8.171 -6.642 433 HE2 LYS 60 1HE LYS 60 10.955 -7.437 -8.879 434 HE3 LYS 60 2HE LYS 60 10.844 -5.752 -8.371 435 HZ1 LYS 60 1HZ LYS 60 13.072 -7.345 -8.270 436 HZ2 LYS 60 2HZ LYS 60 12.558 -7.254 -6.661 437 HZ3 LYS 60 3HZ LYS 60 12.881 -5.837 -7.526 438 H SER 61 H SER 61 5.191 -10.004 -6.453 439 HA SER 61 HA SER 61 3.171 -9.493 -4.654 440 HB2 SER 61 1HB SER 61 4.790 -12.044 -4.641 441 HB3 SER 61 2HB SER 61 3.087 -11.844 -4.228 442 HG SER 61 HG SER 61 2.654 -12.136 -6.251 443 H VAL 62 H VAL 62 3.023 -9.105 -2.530 444 HA VAL 62 HA VAL 62 5.477 -9.349 -0.912 445 HB VAL 62 HB VAL 62 4.878 -7.405 0.333 446 HG11 VAL 62 1HG1 VAL 62 5.524 -5.895 -1.209 447 HG12 VAL 62 2HG1 VAL 62 5.656 -7.309 -2.256 448 HG13 VAL 62 3HG1 VAL 62 4.209 -6.302 -2.311 449 HG21 VAL 62 1HG2 VAL 62 2.560 -7.521 0.596 450 HG22 VAL 62 2HG2 VAL 62 2.800 -6.089 -0.406 451 HG23 VAL 62 3HG2 VAL 62 2.272 -7.603 -1.142 452 H GLU 63 H GLU 63 2.053 -9.890 -1.137 453 HA GLU 63 HA GLU 63 1.169 -10.299 1.376 454 HB2 GLU 63 1HB GLU 63 -0.325 -11.993 0.537 455 HB3 GLU 63 2HB GLU 63 -0.129 -10.754 -0.694 456 HG2 GLU 63 1HG GLU 63 -0.094 -12.893 -1.749 457 HG3 GLU 63 2HG GLU 63 1.527 -12.204 -1.825 458 H ALA 64 H ALA 64 3.584 -12.182 -0.268 459 HA ALA 64 HA ALA 64 3.558 -14.399 1.534 460 HB1 ALA 64 1HB ALA 64 4.873 -15.306 -0.006 461 HB2 ALA 64 2HB ALA 64 4.786 -13.794 -0.910 462 HB3 ALA 64 3HB ALA 64 6.098 -14.061 0.237 463 H LEU 65 H LEU 65 5.473 -11.437 1.257 464 HA LEU 65 HA LEU 65 7.307 -12.039 3.318 465 HB2 LEU 65 1HB LEU 65 6.436 -9.551 1.923 466 HB3 LEU 65 2HB LEU 65 7.426 -9.420 3.375 467 HG LEU 65 HG LEU 65 8.238 -10.992 0.934 468 HD11 LEU 65 1HD1 LEU 65 9.202 -8.250 1.708 469 HD12 LEU 65 2HD1 LEU 65 7.929 -8.527 0.520 470 HD13 LEU 65 3HD1 LEU 65 9.552 -9.153 0.234 471 HD21 LEU 65 1HD2 LEU 65 10.492 -10.739 1.976 472 HD22 LEU 65 2HD2 LEU 65 9.371 -11.738 2.901 473 HD23 LEU 65 3HD2 LEU 65 9.699 -10.080 3.407 474 H ASP 66 H ASP 66 7.396 -10.218 5.193 475 HA ASP 66 HA ASP 66 4.820 -10.449 6.603 476 HB2 ASP 66 1HB ASP 66 7.631 -10.367 7.715 477 HB3 ASP 66 2HB ASP 66 6.171 -10.340 8.699 478 H HIS 67 H HIS 67 4.738 -8.741 8.474 479 HA HIS 67 HA HIS 67 4.156 -6.299 7.561 480 HB2 HIS 67 1HB HIS 67 3.807 -6.894 9.887 481 HB3 HIS 67 2HB HIS 67 5.543 -6.893 10.182 482 HD1 HIS 67 1HD HIS 67 2.868 -4.939 11.063 483 HD2 HIS 67 2HD HIS 67 6.455 -4.027 9.175 484 HE1 HIS 67 1HE HIS 67 3.216 -2.476 11.434 485 HE2 HIS 67 2HE HIS 67 5.349 -1.930 10.211 486 H ASP 68 H ASP 68 7.405 -7.146 8.757 487 HA ASP 68 HA ASP 68 8.595 -4.686 8.045 488 HB2 ASP 68 1HB ASP 68 9.714 -7.417 8.646 489 HB3 ASP 68 2HB ASP 68 10.756 -6.069 8.200 490 H GLY 69 H GLY 69 8.768 -7.882 6.464 491 HA2 GLY 69 1HA GLY 69 10.300 -7.312 4.285 492 HA3 GLY 69 2HA GLY 69 8.928 -8.410 4.224 493 H VAL 70 H VAL 70 6.746 -6.979 4.308 494 HA VAL 70 HA VAL 70 6.543 -5.790 1.784 495 HB VAL 70 HB VAL 70 4.661 -5.226 4.068 496 HG11 VAL 70 1HG1 VAL 70 3.007 -4.946 2.390 497 HG12 VAL 70 2HG1 VAL 70 4.416 -4.021 1.869 498 HG13 VAL 70 3HG1 VAL 70 4.070 -5.589 1.139 499 HG21 VAL 70 1HG2 VAL 70 4.489 -7.459 4.268 500 HG22 VAL 70 2HG2 VAL 70 3.547 -7.342 2.782 501 HG23 VAL 70 3HG2 VAL 70 5.258 -7.760 2.709 502 H VAL 71 H VAL 71 6.141 -4.138 4.923 503 HA VAL 71 HA VAL 71 6.134 -1.542 4.073 504 HB VAL 71 HB VAL 71 7.526 -2.538 6.563 505 HG11 VAL 71 1HG1 VAL 71 6.648 -0.217 7.354 506 HG12 VAL 71 2HG1 VAL 71 8.144 -0.318 6.422 507 HG13 VAL 71 3HG1 VAL 71 6.641 0.159 5.631 508 HG21 VAL 71 1HG2 VAL 71 4.790 -1.454 6.706 509 HG22 VAL 71 2HG2 VAL 71 4.950 -3.031 5.932 510 HG23 VAL 71 3HG2 VAL 71 5.527 -2.795 7.581 511 H GLU 72 H GLU 72 8.827 -3.724 4.169 512 HA GLU 72 HA GLU 72 10.899 -1.783 4.058 513 HB2 GLU 72 1HB GLU 72 11.125 -4.233 4.699 514 HB3 GLU 72 2HB GLU 72 11.045 -4.596 2.981 515 HG2 GLU 72 1HG GLU 72 13.017 -3.113 2.647 516 HG3 GLU 72 2HG GLU 72 13.138 -2.969 4.399 517 H MET 73 H MET 73 9.444 -3.846 1.540 518 HA MET 73 HA MET 73 10.791 -3.041 -0.673 519 HB2 MET 73 1HB MET 73 7.789 -3.376 -0.561 520 HB3 MET 73 2HB MET 73 8.809 -3.549 -1.983 521 HG2 MET 73 1HG MET 73 9.988 -5.404 -0.651 522 HG3 MET 73 2HG MET 73 8.563 -5.357 0.385 523 HE1 MET 73 1HE MET 73 9.662 -7.962 -1.971 524 HE2 MET 73 2HE MET 73 9.141 -7.374 -3.549 525 HE3 MET 73 3HE MET 73 10.281 -6.431 -2.589 526 H ILE 74 H ILE 74 8.059 -1.331 0.817 527 HA ILE 74 HA ILE 74 7.781 0.729 -1.024 528 HB ILE 74 HB ILE 74 7.380 0.820 1.967 529 HG12 ILE 74 1HG1 ILE 74 4.909 0.777 0.984 530 HG13 ILE 74 2HG1 ILE 74 5.715 -0.027 -0.359 531 HG21 ILE 74 1HG2 ILE 74 7.104 2.870 -0.104 532 HG22 ILE 74 2HG2 ILE 74 5.680 2.670 0.916 533 HG23 ILE 74 3HG2 ILE 74 7.243 3.034 1.646 534 HD11 ILE 74 1HD1 ILE 74 5.774 -1.933 0.758 535 HD12 ILE 74 2HD1 ILE 74 6.568 -1.162 2.132 536 HD13 ILE 74 3HD1 ILE 74 4.808 -1.167 2.019 537 H ARG 75 H ARG 75 9.851 0.589 1.863 538 HA ARG 75 HA ARG 75 10.961 3.172 1.525 539 HB2 ARG 75 1HB ARG 75 11.847 0.740 3.068 540 HB3 ARG 75 2HB ARG 75 12.780 2.230 3.059 541 HG2 ARG 75 1HG ARG 75 10.902 3.441 4.006 542 HG3 ARG 75 2HG ARG 75 9.921 1.974 3.965 543 HD2 ARG 75 1HD ARG 75 11.611 0.899 5.460 544 HD3 ARG 75 2HD ARG 75 12.403 2.468 5.600 545 HE ARG 75 HE ARG 75 9.611 2.520 6.276 546 HH11 ARG 75 2HH1 ARG 75 12.832 1.928 7.457 547 HH12 ARG 75 1HH1 ARG 75 12.427 2.254 9.109 548 HH21 ARG 75 2HH2 ARG 75 9.065 2.953 8.448 549 HH22 ARG 75 1HH2 ARG 75 10.284 2.836 9.672 550 H LYS 76 H LYS 76 11.499 0.209 -0.070 551 HA LYS 76 HA LYS 76 14.220 0.723 -0.851 552 HB2 LYS 76 1HB LYS 76 12.222 -1.245 -1.986 553 HB3 LYS 76 2HB LYS 76 13.954 -1.239 -2.293 554 HG2 LYS 76 1HG LYS 76 12.956 -1.441 0.511 555 HG3 LYS 76 2HG LYS 76 12.940 -2.863 -0.535 556 HD2 LYS 76 1HD LYS 76 15.428 -1.226 -0.345 557 HD3 LYS 76 2HD LYS 76 15.022 -2.327 0.973 558 HE2 LYS 76 1HE LYS 76 14.713 -4.087 -0.880 559 HE3 LYS 76 2HE LYS 76 15.604 -2.959 -1.901 560 HZ1 LYS 76 1HZ LYS 76 17.403 -3.964 -1.090 561 HZ2 LYS 76 2HZ LYS 76 16.561 -4.683 0.188 562 HZ3 LYS 76 3HZ LYS 76 17.123 -3.094 0.334 563 H GLY 77 H GLY 77 11.120 1.680 -1.947 564 HA2 GLY 77 1HA GLY 77 11.744 2.075 -4.700 565 HA3 GLY 77 2HA GLY 77 10.391 2.784 -3.831 566 H GLY 78 H GLY 78 12.213 3.990 -1.818 567 HA2 GLY 78 1HA GLY 78 13.898 5.697 -1.781 568 HA3 GLY 78 2HA GLY 78 13.568 6.007 -3.479 569 H ASP 79 H ASP 79 12.127 7.550 -4.023 570 HA ASP 79 HA ASP 79 10.982 9.105 -1.836 571 HB2 ASP 79 1HB ASP 79 11.317 9.668 -4.785 572 HB3 ASP 79 2HB ASP 79 10.469 10.751 -3.685 573 H GLN 80 H GLN 80 9.930 7.629 -4.898 574 HA GLN 80 HA GLN 80 7.185 7.600 -3.827 575 HB2 GLN 80 1HB GLN 80 6.303 8.005 -5.954 576 HB3 GLN 80 2HB GLN 80 7.694 9.078 -5.872 577 HG2 GLN 80 1HG GLN 80 9.010 7.504 -7.170 578 HG3 GLN 80 2HG GLN 80 7.646 6.387 -7.219 579 HE21 GLN 80 1HE2 GLN 80 7.376 6.376 -9.401 580 HE22 GLN 80 2HE2 GLN 80 6.864 7.753 -10.310 581 H THR 81 H THR 81 5.841 5.803 -4.510 582 HA THR 81 HA THR 81 7.146 3.478 -5.639 583 HB THR 81 HB THR 81 7.819 3.157 -3.361 584 HG1 THR 81 1HG THR 81 7.232 1.193 -4.025 585 HG21 THR 81 1HG2 THR 81 6.639 4.185 -1.763 586 HG22 THR 81 2HG2 THR 81 5.511 2.832 -1.856 587 HG23 THR 81 3HG2 THR 81 5.211 4.297 -2.790 588 H THR 82 H THR 82 5.705 1.923 -6.393 589 HA THR 82 HA THR 82 2.915 2.819 -6.509 590 HB THR 82 HB THR 82 4.335 0.778 -8.231 591 HG1 THR 82 1HG THR 82 3.949 2.593 -9.805 592 HG21 THR 82 1HG2 THR 82 1.986 0.292 -8.162 593 HG22 THR 82 2HG2 THR 82 2.332 1.082 -9.700 594 HG23 THR 82 3HG2 THR 82 1.577 1.991 -8.391 595 H LEU 83 H LEU 83 1.337 1.732 -5.519 596 HA LEU 83 HA LEU 83 1.973 -0.920 -4.408 597 HB2 LEU 83 1HB LEU 83 -0.278 0.702 -3.347 598 HB3 LEU 83 2HB LEU 83 0.775 -0.442 -2.519 599 HG LEU 83 HG LEU 83 1.424 2.404 -3.275 600 HD11 LEU 83 1HD1 LEU 83 1.206 1.076 -0.579 601 HD12 LEU 83 2HD1 LEU 83 -0.037 2.092 -1.308 602 HD13 LEU 83 3HD1 LEU 83 1.534 2.779 -0.898 603 HD21 LEU 83 1HD2 LEU 83 3.607 2.080 -2.771 604 HD22 LEU 83 2HD2 LEU 83 3.248 0.447 -3.333 605 HD23 LEU 83 3HD2 LEU 83 3.265 0.802 -1.605 606 H LEU 84 H LEU 84 0.362 -2.536 -4.441 607 HA LEU 84 HA LEU 84 -1.836 -2.049 -6.340 608 HB2 LEU 84 1HB LEU 84 -0.106 -3.370 -7.408 609 HB3 LEU 84 2HB LEU 84 -0.126 -4.517 -6.070 610 HG LEU 84 HG LEU 84 -2.461 -5.113 -6.697 611 HD11 LEU 84 1HD1 LEU 84 -3.540 -3.653 -7.990 612 HD12 LEU 84 2HD1 LEU 84 -2.639 -4.353 -9.334 613 HD13 LEU 84 3HD1 LEU 84 -2.043 -2.898 -8.536 614 HD21 LEU 84 1HD2 LEU 84 -0.346 -5.460 -8.819 615 HD22 LEU 84 2HD2 LEU 84 -1.829 -6.407 -8.697 616 HD23 LEU 84 3HD2 LEU 84 -0.615 -6.500 -7.421 617 H VAL 85 H VAL 85 -3.529 -1.884 -4.966 618 HA VAL 85 HA VAL 85 -3.901 -4.021 -2.976 619 HB VAL 85 HB VAL 85 -5.171 -2.582 -1.660 620 HG11 VAL 85 1HG1 VAL 85 -2.662 -1.700 -2.572 621 HG12 VAL 85 2HG1 VAL 85 -3.682 -0.265 -2.445 622 HG13 VAL 85 3HG1 VAL 85 -3.456 -1.314 -1.045 623 HG21 VAL 85 1HG2 VAL 85 -6.689 -1.823 -3.421 624 HG22 VAL 85 2HG2 VAL 85 -6.137 -0.474 -2.428 625 HG23 VAL 85 3HG2 VAL 85 -5.444 -0.732 -4.029 626 H LEU 86 H LEU 86 -6.033 -4.903 -2.693 627 HA LEU 86 HA LEU 86 -7.409 -5.227 -5.232 628 HB2 LEU 86 1HB LEU 86 -6.769 -7.038 -3.422 629 HB3 LEU 86 2HB LEU 86 -8.315 -6.556 -2.726 630 HG LEU 86 HG LEU 86 -8.519 -8.555 -4.121 631 HD11 LEU 86 1HD1 LEU 86 -10.508 -7.949 -5.085 632 HD12 LEU 86 2HD1 LEU 86 -9.881 -6.411 -5.677 633 HD13 LEU 86 3HD1 LEU 86 -10.264 -6.607 -3.967 634 HD21 LEU 86 1HD2 LEU 86 -7.572 -8.769 -6.124 635 HD22 LEU 86 2HD2 LEU 86 -6.723 -7.260 -5.789 636 HD23 LEU 86 3HD2 LEU 86 -8.243 -7.237 -6.685 637 H ASP 87 H ASP 87 -9.390 -4.467 -5.716 638 HA ASP 87 HA ASP 87 -10.845 -3.017 -3.602 639 HB2 ASP 87 1HB ASP 87 -11.713 -1.663 -5.683 640 HB3 ASP 87 2HB ASP 87 -10.163 -1.265 -4.945 641 H LYS 88 H LYS 88 -11.569 -3.980 -6.953 642 HA LYS 88 HA LYS 88 -14.202 -4.381 -6.889 643 HB2 LYS 88 1HB LYS 88 -12.248 -6.372 -8.058 644 HB3 LYS 88 2HB LYS 88 -13.944 -6.226 -8.498 645 HG2 LYS 88 1HG LYS 88 -11.946 -4.003 -8.828 646 HG3 LYS 88 2HG LYS 88 -12.334 -5.172 -10.092 647 HD2 LYS 88 1HD LYS 88 -14.557 -3.694 -8.762 648 HD3 LYS 88 2HD LYS 88 -13.572 -2.854 -9.963 649 HE2 LYS 88 1HE LYS 88 -14.928 -5.503 -10.445 650 HE3 LYS 88 2HE LYS 88 -15.633 -3.945 -10.872 651 HZ1 LYS 88 1HZ LYS 88 -13.398 -3.629 -12.115 652 HZ2 LYS 88 2HZ LYS 88 -14.620 -4.561 -12.820 653 HZ3 LYS 88 3HZ LYS 88 -13.317 -5.317 -12.051 654 H GLU 89 H GLU 89 -11.962 -7.012 -5.986 655 HA GLU 89 HA GLU 89 -14.107 -8.110 -4.289 656 HB2 GLU 89 1HB GLU 89 -11.817 -9.730 -5.376 657 HB3 GLU 89 2HB GLU 89 -13.356 -10.296 -4.742 658 HG2 GLU 89 1HG GLU 89 -13.313 -8.594 -7.188 659 HG3 GLU 89 2HG GLU 89 -12.898 -10.303 -7.303 660 H ALA 90 H ALA 90 -13.053 -6.386 -2.832 661 HA ALA 90 HA ALA 90 -10.536 -7.146 -1.634 662 HB1 ALA 90 1HB ALA 90 -10.640 -5.153 -0.437 663 HB2 ALA 90 2HB ALA 90 -11.444 -4.761 -1.958 664 HB3 ALA 90 3HB ALA 90 -12.401 -5.086 -0.513 665 H GLU 91 H GLU 91 -13.947 -7.053 -0.639 666 HA GLU 91 HA GLU 91 -13.246 -8.688 1.703 667 HB2 GLU 91 1HB GLU 91 -15.417 -7.983 2.631 668 HB3 GLU 91 2HB GLU 91 -14.377 -6.613 2.267 669 HG2 GLU 91 1HG GLU 91 -15.662 -6.549 0.022 670 HG3 GLU 91 2HG GLU 91 -16.857 -7.523 0.876 671 H SER 92 H SER 92 -13.193 -10.700 0.708 672 HA SER 92 HA SER 92 -15.678 -11.616 -0.562 673 HB2 SER 92 1HB SER 92 -13.449 -11.856 -1.766 674 HB3 SER 92 2HB SER 92 -13.026 -13.062 -0.552 675 HG SER 92 HG SER 92 -14.802 -14.290 -1.225 676 H ILE 93 H ILE 93 -16.907 -12.046 1.263 677 HA ILE 93 HA ILE 93 -15.850 -14.008 3.170 678 HB ILE 93 HB ILE 93 -17.714 -13.422 4.611 679 HG12 ILE 93 1HG1 ILE 93 -19.013 -11.270 3.736 680 HG13 ILE 93 2HG1 ILE 93 -18.631 -11.975 2.169 681 HG21 ILE 93 1HG2 ILE 93 -16.993 -11.280 5.259 682 HG22 ILE 93 2HG2 ILE 93 -15.592 -12.030 4.495 683 HG23 ILE 93 3HG2 ILE 93 -16.548 -10.841 3.610 684 HD11 ILE 93 1HD1 ILE 93 -19.871 -13.681 4.269 685 HD12 ILE 93 2HD1 ILE 93 -20.870 -12.541 3.367 686 HD13 ILE 93 3HD1 ILE 93 -19.975 -13.798 2.513 687 H TYR 94 H TYR 94 -17.043 -15.875 3.721 688 HA TYR 94 HA TYR 94 -19.390 -16.592 2.204 689 HB2 TYR 94 1HB TYR 94 -16.698 -17.735 1.590 690 HB3 TYR 94 2HB TYR 94 -18.105 -18.788 1.493 691 HD1 TYR 94 2HD TYR 94 -19.815 -18.426 -0.205 692 HD2 TYR 94 1HD TYR 94 -16.381 -15.924 0.010 693 HE1 TYR 94 2HE TYR 94 -20.302 -17.575 -2.460 694 HE2 TYR 94 1HE TYR 94 -16.858 -15.065 -2.244 695 HH TYR 94 HH TYR 94 -19.777 -16.025 -3.996 696 H SER 95 H SER 95 -20.605 -17.289 3.837 697 HA SER 95 HA SER 95 -19.948 -19.676 5.234 698 HB2 SER 95 1HB SER 95 -18.651 -17.751 6.434 699 HB3 SER 95 2HB SER 95 -20.234 -17.330 7.086 700 HG SER 95 HG SER 95 -19.425 -18.743 8.528 701 H LEU 96 H LEU 96 -21.661 -20.244 6.853 702 HA LEU 96 HA LEU 96 -24.146 -18.777 6.677 703 HB2 LEU 96 1HB LEU 96 -24.142 -20.130 4.622 704 HB3 LEU 96 2HB LEU 96 -23.950 -21.586 5.597 705 HG LEU 96 HG LEU 96 -26.193 -20.742 6.695 706 HD11 LEU 96 1HD1 LEU 96 -27.521 -19.353 5.478 707 HD12 LEU 96 2HD1 LEU 96 -26.764 -19.785 3.945 708 HD13 LEU 96 3HD1 LEU 96 -25.946 -18.682 5.052 709 HD21 LEU 96 1HD2 LEU 96 -26.697 -22.712 5.798 710 HD22 LEU 96 2HD2 LEU 96 -25.520 -22.496 4.502 711 HD23 LEU 96 3HD2 LEU 96 -27.152 -21.849 4.328 712 H SER 97 H SER 97 -25.384 -19.077 8.447 713 HA SER 97 HA SER 97 -24.991 -21.440 10.111 714 HB2 SER 97 1HB SER 97 -24.744 -20.004 12.154 715 HB3 SER 97 2HB SER 97 -23.369 -19.922 11.052 716 HG SER 97 HG SER 97 -24.726 -17.912 11.970 717 H GLY 98 H GLY 98 -26.526 -21.214 12.122 718 HA2 GLY 98 1HA GLY 98 -29.108 -20.206 11.096 719 HA3 GLY 98 2HA GLY 98 -28.943 -21.655 12.076 720 HA PRO 99 HA PRO 99 -29.526 -17.609 14.609 721 HB2 PRO 99 1HB PRO 99 -32.231 -17.543 14.835 722 HB3 PRO 99 2HB PRO 99 -31.354 -16.702 13.552 723 HG2 PRO 99 1HG PRO 99 -32.774 -19.336 13.464 724 HG3 PRO 99 2HG PRO 99 -32.777 -18.023 12.272 725 HD2 PRO 99 1HD PRO 99 -31.255 -20.244 11.989 726 HD3 PRO 99 2HD PRO 99 -30.745 -18.654 11.385 727 H SER 100 H SER 100 -28.967 -18.289 16.580 728 HA SER 100 HA SER 100 -30.300 -20.609 17.753 729 HB2 SER 100 1HB SER 100 -27.852 -20.582 17.809 730 HB3 SER 100 2HB SER 100 -27.876 -19.049 18.682 731 HG SER 100 HG SER 100 -29.277 -20.395 20.217 732 H SER 101 H SER 101 -32.223 -19.987 18.583 733 HA SER 101 HA SER 101 -32.299 -17.615 20.312 734 HB2 SER 101 1HB SER 101 -34.780 -17.844 20.119 735 HB3 SER 101 2HB SER 101 -33.979 -17.599 18.567 736 HG SER 101 HG SER 101 -35.597 -19.551 19.224 737 H GLY 102 H GLY 102 -33.359 -17.726 22.368 738 HA2 GLY 102 1HA GLY 102 -33.899 -20.358 23.483 739 HA3 GLY 102 2HA GLY 102 -32.519 -19.512 24.167 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -4.809 -7.043 -27.079 2 HA2 GLY 1 1HA GLY 1 -5.243 -9.675 -26.003 3 HA3 GLY 1 2HA GLY 1 -3.955 -8.566 -25.560 4 H SER 2 H SER 2 -5.632 -10.238 -23.847 5 HA SER 2 HA SER 2 -7.566 -8.642 -22.526 6 HB2 SER 2 1HB SER 2 -7.244 -11.213 -22.464 7 HB3 SER 2 2HB SER 2 -6.073 -10.885 -21.187 8 HG SER 2 HG SER 2 -7.668 -10.557 -19.870 9 H SER 3 H SER 3 -7.454 -7.567 -20.538 10 HA SER 3 HA SER 3 -4.737 -6.928 -19.598 11 HB2 SER 3 1HB SER 3 -6.984 -5.101 -20.334 12 HB3 SER 3 2HB SER 3 -5.919 -4.631 -19.008 13 HG SER 3 HG SER 3 -5.389 -4.861 -21.729 14 H GLY 4 H GLY 4 -4.506 -6.480 -17.377 15 HA2 GLY 4 1HA GLY 4 -6.252 -7.979 -15.693 16 HA3 GLY 4 2HA GLY 4 -4.888 -7.004 -15.168 17 H SER 5 H SER 5 -7.717 -7.330 -14.174 18 HA SER 5 HA SER 5 -8.363 -4.458 -14.092 19 HB2 SER 5 1HB SER 5 -10.324 -6.761 -14.226 20 HB3 SER 5 2HB SER 5 -10.765 -5.073 -13.968 21 HG SER 5 HG SER 5 -9.902 -6.360 -16.277 22 H SER 6 H SER 6 -8.964 -7.572 -12.469 23 HA SER 6 HA SER 6 -9.826 -6.603 -10.023 24 HB2 SER 6 1HB SER 6 -8.216 -9.091 -10.633 25 HB3 SER 6 2HB SER 6 -8.994 -8.771 -9.083 26 HG SER 6 HG SER 6 -10.066 -9.814 -11.280 27 H GLY 7 H GLY 7 -8.834 -5.064 -8.881 28 HA2 GLY 7 1HA GLY 7 -7.136 -4.662 -7.197 29 HA3 GLY 7 2HA GLY 7 -5.981 -5.468 -8.248 30 H ARG 8 H ARG 8 -7.181 -2.508 -7.229 31 HA ARG 8 HA ARG 8 -6.582 -1.017 -9.622 32 HB2 ARG 8 1HB ARG 8 -7.142 0.943 -8.328 33 HB3 ARG 8 2HB ARG 8 -8.339 -0.308 -8.019 34 HG2 ARG 8 1HG ARG 8 -7.143 -0.868 -5.923 35 HG3 ARG 8 2HG ARG 8 -6.062 0.495 -6.222 36 HD2 ARG 8 1HD ARG 8 -7.886 1.053 -4.660 37 HD3 ARG 8 2HD ARG 8 -7.919 2.038 -6.122 38 HE ARG 8 HE ARG 8 -9.874 0.068 -5.297 39 HH11 ARG 8 2HH1 ARG 8 -8.624 2.041 -7.878 40 HH12 ARG 8 1HH1 ARG 8 -10.084 1.980 -8.808 41 HH21 ARG 8 2HH2 ARG 8 -11.803 -0.020 -6.511 42 HH22 ARG 8 1HH2 ARG 8 -11.892 0.808 -8.029 43 H VAL 9 H VAL 9 -5.036 0.846 -9.520 44 HA VAL 9 HA VAL 9 -2.561 0.004 -8.160 45 HB VAL 9 HB VAL 9 -2.866 1.607 -10.704 46 HG11 VAL 9 1HG1 VAL 9 -0.229 0.573 -10.196 47 HG12 VAL 9 2HG1 VAL 9 -0.741 2.232 -10.513 48 HG13 VAL 9 3HG1 VAL 9 -0.758 1.602 -8.866 49 HG21 VAL 9 1HG2 VAL 9 -2.538 -1.254 -10.136 50 HG22 VAL 9 2HG2 VAL 9 -3.168 -0.446 -11.571 51 HG23 VAL 9 3HG2 VAL 9 -1.427 -0.608 -11.343 52 H VAL 10 H VAL 10 -1.479 1.418 -6.891 53 HA VAL 10 HA VAL 10 -2.577 4.146 -6.671 54 HB VAL 10 HB VAL 10 -1.329 2.609 -4.397 55 HG11 VAL 10 1HG1 VAL 10 -2.185 4.328 -3.003 56 HG12 VAL 10 2HG1 VAL 10 -1.382 5.128 -4.356 57 HG13 VAL 10 3HG1 VAL 10 -3.142 5.010 -4.317 58 HG21 VAL 10 1HG2 VAL 10 -4.138 2.975 -4.057 59 HG22 VAL 10 2HG2 VAL 10 -3.849 2.144 -5.585 60 HG23 VAL 10 3HG2 VAL 10 -3.212 1.474 -4.083 61 H VAL 11 H VAL 11 -1.111 5.823 -6.148 62 HA VAL 11 HA VAL 11 1.742 5.184 -6.299 63 HB VAL 11 HB VAL 11 0.386 7.206 -8.088 64 HG11 VAL 11 1HG1 VAL 11 3.238 6.726 -7.375 65 HG12 VAL 11 2HG1 VAL 11 2.843 7.219 -9.023 66 HG13 VAL 11 3HG1 VAL 11 2.387 8.243 -7.661 67 HG21 VAL 11 1HG2 VAL 11 0.612 5.767 -9.824 68 HG22 VAL 11 2HG2 VAL 11 2.078 5.034 -9.171 69 HG23 VAL 11 3HG2 VAL 11 0.500 4.569 -8.534 70 H ILE 12 H ILE 12 2.755 6.168 -4.689 71 HA ILE 12 HA ILE 12 1.757 8.786 -3.781 72 HB ILE 12 HB ILE 12 2.903 6.658 -1.973 73 HG12 ILE 12 1HG1 ILE 12 0.034 7.557 -1.986 74 HG13 ILE 12 2HG1 ILE 12 0.573 6.249 -3.035 75 HG21 ILE 12 1HG2 ILE 12 1.888 9.437 -1.561 76 HG22 ILE 12 2HG2 ILE 12 1.766 8.251 -0.263 77 HG23 ILE 12 3HG2 ILE 12 3.344 8.670 -0.928 78 HD11 ILE 12 1HD1 ILE 12 1.374 5.987 -0.229 79 HD12 ILE 12 2HD1 ILE 12 -0.363 5.919 -0.526 80 HD13 ILE 12 3HD1 ILE 12 0.716 4.791 -1.345 81 H LYS 13 H LYS 13 3.385 10.091 -2.643 82 HA LYS 13 HA LYS 13 6.164 9.404 -3.224 83 HB2 LYS 13 1HB LYS 13 5.307 12.176 -3.909 84 HB3 LYS 13 2HB LYS 13 6.628 11.217 -4.564 85 HG2 LYS 13 1HG LYS 13 5.129 9.943 -5.915 86 HG3 LYS 13 2HG LYS 13 3.724 10.675 -5.136 87 HD2 LYS 13 1HD LYS 13 4.484 12.886 -6.010 88 HD3 LYS 13 2HD LYS 13 5.745 12.041 -6.911 89 HE2 LYS 13 1HE LYS 13 3.968 10.712 -8.031 90 HE3 LYS 13 2HE LYS 13 2.763 11.702 -7.210 91 HZ1 LYS 13 1HZ LYS 13 4.531 12.387 -9.428 92 HZ2 LYS 13 2HZ LYS 13 4.194 13.610 -8.310 93 HZ3 LYS 13 3HZ LYS 13 2.930 12.851 -9.139 94 H LYS 14 H LYS 14 6.934 9.414 -1.200 95 HA LYS 14 HA LYS 14 6.138 10.583 1.060 96 HB2 LYS 14 1HB LYS 14 8.334 9.254 0.482 97 HB3 LYS 14 2HB LYS 14 9.051 10.859 0.431 98 HG2 LYS 14 1HG LYS 14 8.737 11.222 2.683 99 HG3 LYS 14 2HG LYS 14 7.422 10.049 2.795 100 HD2 LYS 14 1HD LYS 14 9.379 9.159 3.890 101 HD3 LYS 14 2HD LYS 14 9.067 8.235 2.418 102 HE2 LYS 14 1HE LYS 14 11.365 8.589 2.355 103 HE3 LYS 14 2HE LYS 14 10.730 9.856 1.307 104 HZ1 LYS 14 1HZ LYS 14 10.781 11.292 3.395 105 HZ2 LYS 14 2HZ LYS 14 12.261 10.936 2.658 106 HZ3 LYS 14 3HZ LYS 14 11.789 10.103 4.053 107 H GLY 15 H GLY 15 6.252 12.545 2.124 108 HA2 GLY 15 1HA GLY 15 7.145 14.841 0.493 109 HA3 GLY 15 2HA GLY 15 5.629 14.870 1.380 110 H SER 16 H SER 16 6.084 14.076 3.813 111 HA SER 16 HA SER 16 8.383 15.639 4.788 112 HB2 SER 16 1HB SER 16 5.513 15.697 5.661 113 HB3 SER 16 2HB SER 16 6.789 16.075 6.817 114 HG SER 16 HG SER 16 6.118 17.967 5.815 115 H ASN 17 H ASN 17 9.592 13.717 5.008 116 HA ASN 17 HA ASN 17 10.181 11.667 5.897 117 HB2 ASN 17 1HB ASN 17 10.789 13.528 7.548 118 HB3 ASN 17 2HB ASN 17 9.394 13.000 8.485 119 HD21 ASN 17 1HD2 ASN 17 11.234 12.723 10.046 120 HD22 ASN 17 2HD2 ASN 17 12.007 11.177 10.074 121 H GLY 18 H GLY 18 7.634 11.381 4.949 122 HA2 GLY 18 1HA GLY 18 6.685 9.132 6.262 123 HA3 GLY 18 2HA GLY 18 5.772 10.489 6.905 124 H TYR 19 H TYR 19 5.381 8.080 4.910 125 HA TYR 19 HA TYR 19 4.517 9.327 2.493 126 HB2 TYR 19 1HB TYR 19 4.233 6.581 3.670 127 HB3 TYR 19 2HB TYR 19 3.317 7.026 2.234 128 HD1 TYR 19 1HD TYR 19 6.700 6.503 3.595 129 HD2 TYR 19 2HD TYR 19 4.389 7.256 0.103 130 HE1 TYR 19 1HE TYR 19 8.656 5.984 2.197 131 HE2 TYR 19 2HE TYR 19 6.338 6.738 -1.305 132 HH TYR 19 HH TYR 19 9.085 5.201 -0.150 133 H GLY 20 H GLY 20 2.764 7.891 5.247 134 HA2 GLY 20 1HA GLY 20 0.902 9.418 6.044 135 HA3 GLY 20 2HA GLY 20 0.371 9.381 4.369 136 H PHE 21 H PHE 21 1.142 6.521 4.122 137 HA PHE 21 HA PHE 21 -1.207 5.411 5.500 138 HB2 PHE 21 1HB PHE 21 -1.459 3.873 3.726 139 HB3 PHE 21 2HB PHE 21 -1.066 5.402 2.946 140 HD1 PHE 21 1HD PHE 21 1.310 5.793 2.193 141 HD2 PHE 21 2HD PHE 21 -0.137 1.975 3.394 142 HE1 PHE 21 1HE PHE 21 3.192 4.717 1.029 143 HE2 PHE 21 2HE PHE 21 1.742 0.893 2.233 144 HZ PHE 21 HZ PHE 21 3.411 2.264 1.049 145 H TYR 22 H TYR 22 -1.084 3.406 6.535 146 HA TYR 22 HA TYR 22 1.655 2.517 7.161 147 HB2 TYR 22 1HB TYR 22 -0.817 2.532 8.899 148 HB3 TYR 22 2HB TYR 22 0.682 1.721 9.338 149 HD1 TYR 22 1HD TYR 22 -0.902 4.997 8.757 150 HD2 TYR 22 2HD TYR 22 2.576 2.961 10.122 151 HE1 TYR 22 1HE TYR 22 -0.058 7.097 9.720 152 HE2 TYR 22 2HE TYR 22 3.429 5.055 11.089 153 HH TYR 22 HH TYR 22 2.368 7.255 11.942 154 H LEU 23 H LEU 23 1.620 0.182 8.062 155 HA LEU 23 HA LEU 23 -0.254 -1.479 6.524 156 HB2 LEU 23 1HB LEU 23 2.741 -1.768 6.650 157 HB3 LEU 23 2HB LEU 23 1.660 -3.021 6.043 158 HG LEU 23 HG LEU 23 1.869 -0.264 4.841 159 HD11 LEU 23 1HD1 LEU 23 3.022 -1.750 2.997 160 HD12 LEU 23 2HD1 LEU 23 3.457 -2.737 4.392 161 HD13 LEU 23 3HD1 LEU 23 3.950 -1.046 4.321 162 HD21 LEU 23 1HD2 LEU 23 -0.083 -0.989 3.976 163 HD22 LEU 23 2HD2 LEU 23 0.271 -2.684 4.312 164 HD23 LEU 23 3HD2 LEU 23 0.976 -1.899 2.898 165 H ARG 24 H ARG 24 -0.620 -3.578 7.368 166 HA ARG 24 HA ARG 24 0.555 -4.272 9.929 167 HB2 ARG 24 1HB ARG 24 -1.510 -2.741 10.264 168 HB3 ARG 24 2HB ARG 24 -2.442 -4.149 9.773 169 HG2 ARG 24 1HG ARG 24 -1.642 -5.418 11.626 170 HG3 ARG 24 2HG ARG 24 -0.479 -4.161 12.051 171 HD2 ARG 24 1HD ARG 24 -3.408 -3.556 11.956 172 HD3 ARG 24 2HD ARG 24 -2.703 -4.337 13.371 173 HE ARG 24 HE ARG 24 -1.248 -2.008 12.624 174 HH11 ARG 24 2HH1 ARG 24 -4.134 -3.094 14.240 175 HH12 ARG 24 1HH1 ARG 24 -4.249 -1.694 15.255 176 HH21 ARG 24 2HH2 ARG 24 -1.389 -0.160 13.954 177 HH22 ARG 24 1HH2 ARG 24 -2.688 -0.026 15.090 178 H ALA 25 H ALA 25 0.496 -6.446 10.359 179 HA ALA 25 HA ALA 25 0.162 -8.220 8.212 180 HB1 ALA 25 1HB ALA 25 1.671 -8.802 9.952 181 HB2 ALA 25 2HB ALA 25 0.401 -8.712 11.173 182 HB3 ALA 25 3HB ALA 25 0.378 -10.001 9.970 183 H GLY 26 H GLY 26 -1.817 -8.343 7.277 184 HA2 GLY 26 1HA GLY 26 -4.262 -8.339 8.738 185 HA3 GLY 26 2HA GLY 26 -4.072 -8.735 7.036 186 HA PRO 27 HA PRO 27 -5.257 -12.568 9.424 187 HB2 PRO 27 1HB PRO 27 -7.386 -13.201 7.863 188 HB3 PRO 27 2HB PRO 27 -7.507 -12.130 9.264 189 HG2 PRO 27 1HG PRO 27 -7.298 -11.433 6.360 190 HG3 PRO 27 2HG PRO 27 -8.341 -10.726 7.608 191 HD2 PRO 27 1HD PRO 27 -6.052 -9.540 6.779 192 HD3 PRO 27 2HD PRO 27 -6.653 -9.396 8.443 193 H GLU 28 H GLU 28 -6.029 -14.733 8.117 194 HA GLU 28 HA GLU 28 -3.854 -15.792 6.896 195 HB2 GLU 28 1HB GLU 28 -5.366 -17.447 5.840 196 HB3 GLU 28 2HB GLU 28 -5.734 -17.170 7.537 197 HG2 GLU 28 1HG GLU 28 -7.442 -15.442 6.581 198 HG3 GLU 28 2HG GLU 28 -7.281 -16.403 5.112 199 H GLN 29 H GLN 29 -6.326 -13.807 5.402 200 HA GLN 29 HA GLN 29 -5.871 -14.231 2.723 201 HB2 GLN 29 1HB GLN 29 -7.490 -12.593 4.006 202 HB3 GLN 29 2HB GLN 29 -6.218 -11.423 3.685 203 HG2 GLN 29 1HG GLN 29 -7.679 -11.159 1.905 204 HG3 GLN 29 2HG GLN 29 -6.399 -12.177 1.248 205 HE21 GLN 29 1HE2 GLN 29 -8.921 -12.002 0.107 206 HE22 GLN 29 2HE2 GLN 29 -9.717 -13.526 0.273 207 H LYS 30 H LYS 30 -4.403 -13.574 1.219 208 HA LYS 30 HA LYS 30 -1.795 -12.864 2.153 209 HB2 LYS 30 1HB LYS 30 -2.721 -12.876 -0.717 210 HB3 LYS 30 2HB LYS 30 -1.087 -13.109 -0.109 211 HG2 LYS 30 1HG LYS 30 -3.286 -15.019 0.586 212 HG3 LYS 30 2HG LYS 30 -2.388 -15.157 -0.927 213 HD2 LYS 30 1HD LYS 30 -1.208 -16.554 0.506 214 HD3 LYS 30 2HD LYS 30 -0.290 -15.048 0.585 215 HE2 LYS 30 1HE LYS 30 -0.960 -14.593 2.722 216 HE3 LYS 30 2HE LYS 30 -2.493 -15.444 2.539 217 HZ1 LYS 30 1HZ LYS 30 -0.376 -16.394 3.886 218 HZ2 LYS 30 2HZ LYS 30 -0.154 -17.132 2.381 219 HZ3 LYS 30 3HZ LYS 30 -1.599 -17.361 3.229 220 H GLY 31 H GLY 31 -0.814 -10.925 2.208 221 HA2 GLY 31 1HA GLY 31 -0.486 -8.732 1.160 222 HA3 GLY 31 2HA GLY 31 -2.231 -8.648 0.970 223 H GLN 32 H GLN 32 -0.717 -6.633 2.193 224 HA GLN 32 HA GLN 32 -1.266 -6.945 5.055 225 HB2 GLN 32 1HB GLN 32 0.202 -4.690 3.687 226 HB3 GLN 32 2HB GLN 32 0.162 -5.043 5.409 227 HG2 GLN 32 1HG GLN 32 1.377 -6.831 3.316 228 HG3 GLN 32 2HG GLN 32 2.274 -5.696 4.324 229 HE21 GLN 32 1HE2 GLN 32 2.156 -6.025 6.656 230 HE22 GLN 32 2HE2 GLN 32 2.026 -7.636 7.265 231 H ILE 33 H ILE 33 -2.393 -5.296 6.215 232 HA ILE 33 HA ILE 33 -4.443 -3.989 4.572 233 HB ILE 33 HB ILE 33 -4.468 -4.426 7.558 234 HG12 ILE 33 1HG1 ILE 33 -5.658 -6.072 5.319 235 HG13 ILE 33 2HG1 ILE 33 -4.452 -6.589 6.493 236 HG21 ILE 33 1HG2 ILE 33 -5.936 -2.665 7.034 237 HG22 ILE 33 2HG2 ILE 33 -6.513 -3.472 5.577 238 HG23 ILE 33 3HG2 ILE 33 -6.959 -4.096 7.165 239 HD11 ILE 33 1HD1 ILE 33 -6.245 -6.122 8.253 240 HD12 ILE 33 2HD1 ILE 33 -7.374 -6.094 6.898 241 HD13 ILE 33 3HD1 ILE 33 -6.434 -7.548 7.234 242 H ILE 34 H ILE 34 -4.698 -1.826 4.523 243 HA ILE 34 HA ILE 34 -2.651 -0.209 5.819 244 HB ILE 34 HB ILE 34 -4.733 0.505 3.753 245 HG12 ILE 34 1HG1 ILE 34 -1.723 0.297 3.527 246 HG13 ILE 34 2HG1 ILE 34 -2.849 -0.951 3.006 247 HG21 ILE 34 1HG2 ILE 34 -4.457 2.548 4.724 248 HG22 ILE 34 2HG2 ILE 34 -2.844 2.169 5.324 249 HG23 ILE 34 3HG2 ILE 34 -3.080 2.570 3.623 250 HD11 ILE 34 1HD1 ILE 34 -1.857 1.123 1.481 251 HD12 ILE 34 2HD1 ILE 34 -3.220 0.078 1.078 252 HD13 ILE 34 3HD1 ILE 34 -3.501 1.627 1.872 253 H LYS 35 H LYS 35 -3.104 1.595 7.117 254 HA LYS 35 HA LYS 35 -5.715 2.390 7.859 255 HB2 LYS 35 1HB LYS 35 -5.623 1.588 10.233 256 HB3 LYS 35 2HB LYS 35 -5.865 0.315 9.043 257 HG2 LYS 35 1HG LYS 35 -3.383 -0.105 9.160 258 HG3 LYS 35 2HG LYS 35 -3.355 0.977 10.555 259 HD2 LYS 35 1HD LYS 35 -3.545 -1.175 11.471 260 HD3 LYS 35 2HD LYS 35 -5.182 -0.518 11.532 261 HE2 LYS 35 1HE LYS 35 -5.337 -1.674 9.155 262 HE3 LYS 35 2HE LYS 35 -4.054 -2.679 9.827 263 HZ1 LYS 35 1HZ LYS 35 -5.981 -3.792 10.409 264 HZ2 LYS 35 2HZ LYS 35 -6.836 -2.375 10.756 265 HZ3 LYS 35 3HZ LYS 35 -5.633 -2.916 11.814 266 H ASP 36 H ASP 36 -5.640 3.836 9.860 267 HA ASP 36 HA ASP 36 -4.782 5.645 10.941 268 HB2 ASP 36 1HB ASP 36 -2.075 4.391 10.446 269 HB3 ASP 36 2HB ASP 36 -2.474 5.600 11.663 270 H ILE 37 H ILE 37 -5.294 5.820 8.170 271 HA ILE 37 HA ILE 37 -3.201 7.041 6.725 272 HB ILE 37 HB ILE 37 -6.193 7.257 6.400 273 HG12 ILE 37 1HG1 ILE 37 -4.156 5.738 4.763 274 HG13 ILE 37 2HG1 ILE 37 -5.099 5.018 6.063 275 HG21 ILE 37 1HG2 ILE 37 -5.645 9.105 5.215 276 HG22 ILE 37 2HG2 ILE 37 -3.976 8.591 4.977 277 HG23 ILE 37 3HG2 ILE 37 -5.258 7.910 3.977 278 HD11 ILE 37 1HD1 ILE 37 -6.965 4.902 4.818 279 HD12 ILE 37 2HD1 ILE 37 -6.638 6.424 3.987 280 HD13 ILE 37 3HD1 ILE 37 -5.814 4.949 3.483 281 H GLU 38 H GLU 38 -2.548 9.125 6.524 282 HA GLU 38 HA GLU 38 -3.561 11.004 8.518 283 HB2 GLU 38 1HB GLU 38 -1.051 10.842 6.882 284 HB3 GLU 38 2HB GLU 38 -1.523 12.358 7.636 285 HG2 GLU 38 1HG GLU 38 -1.617 11.128 9.820 286 HG3 GLU 38 2HG GLU 38 -0.887 9.754 8.992 287 HA PRO 39 HA PRO 39 -5.823 13.380 5.585 288 HB2 PRO 39 1HB PRO 39 -5.853 15.760 6.890 289 HB3 PRO 39 2HB PRO 39 -6.830 14.376 7.394 290 HG2 PRO 39 1HG PRO 39 -4.215 15.345 8.482 291 HG3 PRO 39 2HG PRO 39 -5.647 14.773 9.356 292 HD2 PRO 39 1HD PRO 39 -3.475 13.211 8.940 293 HD3 PRO 39 2HD PRO 39 -5.123 12.554 9.020 294 H GLY 40 H GLY 40 -5.424 14.657 3.842 295 HA2 GLY 40 1HA GLY 40 -4.237 15.896 2.318 296 HA3 GLY 40 2HA GLY 40 -3.570 16.750 3.702 297 H SER 41 H SER 41 -2.971 13.440 3.879 298 HA SER 41 HA SER 41 -0.161 13.874 3.337 299 HB2 SER 41 1HB SER 41 0.236 11.865 4.459 300 HB3 SER 41 2HB SER 41 -1.211 12.470 5.265 301 HG SER 41 HG SER 41 -2.416 11.116 3.784 302 HA PRO 42 HA PRO 42 0.333 12.383 -0.745 303 HB2 PRO 42 1HB PRO 42 2.176 10.338 0.405 304 HB3 PRO 42 2HB PRO 42 2.444 11.477 -0.920 305 HG2 PRO 42 1HG PRO 42 3.490 11.892 1.511 306 HG3 PRO 42 2HG PRO 42 2.913 13.233 0.504 307 HD2 PRO 42 1HD PRO 42 1.721 12.037 2.928 308 HD3 PRO 42 2HD PRO 42 1.608 13.694 2.301 309 H ALA 43 H ALA 43 -0.290 10.083 1.830 310 HA ALA 43 HA ALA 43 -1.007 7.918 0.098 311 HB1 ALA 43 1HB ALA 43 -2.066 7.074 2.327 312 HB2 ALA 43 2HB ALA 43 -0.312 7.155 2.156 313 HB3 ALA 43 3HB ALA 43 -1.172 8.420 3.035 314 H GLU 44 H GLU 44 -2.824 10.286 2.023 315 HA GLU 44 HA GLU 44 -5.383 9.301 1.270 316 HB2 GLU 44 1HB GLU 44 -4.922 10.675 3.309 317 HB3 GLU 44 2HB GLU 44 -4.677 12.067 2.263 318 HG2 GLU 44 1HG GLU 44 -6.859 12.319 2.973 319 HG3 GLU 44 2HG GLU 44 -7.043 11.562 1.392 320 H ALA 45 H ALA 45 -3.218 11.748 -0.021 321 HA ALA 45 HA ALA 45 -5.110 12.819 -1.882 322 HB1 ALA 45 1HB ALA 45 -3.222 14.138 -1.047 323 HB2 ALA 45 2HB ALA 45 -2.103 13.047 -1.866 324 HB3 ALA 45 3HB ALA 45 -3.219 14.035 -2.808 325 H ALA 46 H ALA 46 -2.848 10.183 -1.889 326 HA ALA 46 HA ALA 46 -2.612 9.847 -4.690 327 HB1 ALA 46 1HB ALA 46 -1.712 7.661 -4.183 328 HB2 ALA 46 2HB ALA 46 -1.058 8.851 -3.057 329 HB3 ALA 46 3HB ALA 46 -2.338 7.755 -2.536 330 H GLY 47 H GLY 47 -5.049 8.947 -2.380 331 HA2 GLY 47 1HA GLY 47 -7.292 8.574 -3.286 332 HA3 GLY 47 2HA GLY 47 -6.540 7.627 -4.561 333 H LEU 48 H LEU 48 -4.928 6.954 -1.756 334 HA LEU 48 HA LEU 48 -5.638 4.301 -1.601 335 HB2 LEU 48 1HB LEU 48 -4.403 6.231 0.284 336 HB3 LEU 48 2HB LEU 48 -4.944 4.686 0.936 337 HG LEU 48 HG LEU 48 -2.819 5.189 -1.133 338 HD11 LEU 48 1HD1 LEU 48 -2.256 5.346 1.291 339 HD12 LEU 48 2HD1 LEU 48 -1.376 4.091 0.421 340 HD13 LEU 48 3HD1 LEU 48 -2.734 3.657 1.459 341 HD21 LEU 48 1HD2 LEU 48 -2.714 2.552 -0.888 342 HD22 LEU 48 2HD2 LEU 48 -3.712 3.337 -2.112 343 HD23 LEU 48 3HD2 LEU 48 -4.444 2.759 -0.614 344 H LYS 49 H LYS 49 -6.534 3.371 0.631 345 HA LYS 49 HA LYS 49 -8.816 4.789 1.668 346 HB2 LYS 49 1HB LYS 49 -9.142 2.455 -0.202 347 HB3 LYS 49 2HB LYS 49 -10.356 2.824 1.016 348 HG2 LYS 49 1HG LYS 49 -10.316 5.198 -0.010 349 HG3 LYS 49 2HG LYS 49 -9.554 4.403 -1.390 350 HD2 LYS 49 1HD LYS 49 -11.457 2.872 -1.556 351 HD3 LYS 49 2HD LYS 49 -12.216 3.663 -0.173 352 HE2 LYS 49 1HE LYS 49 -11.412 5.327 -2.508 353 HE3 LYS 49 2HE LYS 49 -12.848 4.315 -2.649 354 HZ1 LYS 49 1HZ LYS 49 -12.349 6.514 -0.733 355 HZ2 LYS 49 2HZ LYS 49 -13.586 5.384 -0.501 356 HZ3 LYS 49 3HZ LYS 49 -13.595 6.379 -1.869 357 H ASN 50 H ASN 50 -9.216 4.170 3.706 358 HA ASN 50 HA ASN 50 -7.535 2.514 5.132 359 HB2 ASN 50 1HB ASN 50 -10.393 3.312 5.708 360 HB3 ASN 50 2HB ASN 50 -9.363 2.482 6.870 361 HD21 ASN 50 1HD2 ASN 50 -7.213 3.568 7.247 362 HD22 ASN 50 2HD2 ASN 50 -7.233 5.290 7.391 363 H ASN 51 H ASN 51 -7.570 0.398 5.811 364 HA ASN 51 HA ASN 51 -8.113 -1.818 5.869 365 HB2 ASN 51 1HB ASN 51 -10.720 -1.254 4.482 366 HB3 ASN 51 2HB ASN 51 -10.341 -2.518 5.649 367 HD21 ASN 51 1HD2 ASN 51 -12.157 0.057 5.327 368 HD22 ASN 51 2HD2 ASN 51 -12.132 0.699 6.931 369 H ASP 52 H ASP 52 -6.815 -0.469 3.613 370 HA ASP 52 HA ASP 52 -7.688 -1.897 1.251 371 HB2 ASP 52 1HB ASP 52 -5.666 0.200 1.860 372 HB3 ASP 52 2HB ASP 52 -5.376 -0.819 0.453 373 H LEU 53 H LEU 53 -6.964 -3.813 0.595 374 HA LEU 53 HA LEU 53 -4.792 -5.070 2.094 375 HB2 LEU 53 1HB LEU 53 -6.964 -6.234 1.832 376 HB3 LEU 53 2HB LEU 53 -6.693 -6.280 0.091 377 HG LEU 53 HG LEU 53 -4.548 -7.586 0.680 378 HD11 LEU 53 1HD1 LEU 53 -4.298 -7.394 2.967 379 HD12 LEU 53 2HD1 LEU 53 -5.053 -8.980 2.810 380 HD13 LEU 53 3HD1 LEU 53 -6.024 -7.585 3.279 381 HD21 LEU 53 1HD2 LEU 53 -6.216 -8.735 -0.475 382 HD22 LEU 53 2HD2 LEU 53 -7.358 -8.619 0.865 383 HD23 LEU 53 3HD2 LEU 53 -5.971 -9.704 0.979 384 H VAL 54 H VAL 54 -2.817 -4.826 1.294 385 HA VAL 54 HA VAL 54 -2.434 -4.488 -1.582 386 HB VAL 54 HB VAL 54 -0.442 -4.254 0.679 387 HG11 VAL 54 1HG1 VAL 54 -0.213 -3.998 -2.280 388 HG12 VAL 54 2HG1 VAL 54 0.762 -2.944 -1.253 389 HG13 VAL 54 3HG1 VAL 54 0.914 -4.697 -1.118 390 HG21 VAL 54 1HG2 VAL 54 -0.761 -1.967 0.670 391 HG22 VAL 54 2HG2 VAL 54 -1.455 -1.963 -0.952 392 HG23 VAL 54 3HG2 VAL 54 -2.402 -2.558 0.411 393 H VAL 55 H VAL 55 -1.795 -6.090 -2.859 394 HA VAL 55 HA VAL 55 -0.752 -8.543 -1.614 395 HB VAL 55 HB VAL 55 -1.374 -9.615 -3.818 396 HG11 VAL 55 1HG1 VAL 55 -2.753 -9.995 -1.912 397 HG12 VAL 55 2HG1 VAL 55 -3.504 -8.405 -2.066 398 HG13 VAL 55 3HG1 VAL 55 -3.819 -9.651 -3.274 399 HG21 VAL 55 1HG2 VAL 55 -2.964 -7.086 -4.215 400 HG22 VAL 55 2HG2 VAL 55 -1.473 -7.463 -5.078 401 HG23 VAL 55 3HG2 VAL 55 -2.895 -8.486 -5.286 402 H ALA 56 H ALA 56 -0.010 -5.981 -3.800 403 HA ALA 56 HA ALA 56 2.676 -7.065 -4.148 404 HB1 ALA 56 1HB ALA 56 1.246 -6.002 -6.559 405 HB2 ALA 56 2HB ALA 56 2.720 -6.967 -6.477 406 HB3 ALA 56 3HB ALA 56 1.160 -7.708 -6.119 407 H VAL 57 H VAL 57 4.262 -5.512 -4.407 408 HA VAL 57 HA VAL 57 3.395 -2.705 -4.477 409 HB VAL 57 HB VAL 57 5.453 -3.818 -2.564 410 HG11 VAL 57 1HG1 VAL 57 4.476 -1.080 -2.203 411 HG12 VAL 57 2HG1 VAL 57 6.115 -1.726 -2.096 412 HG13 VAL 57 3HG1 VAL 57 5.424 -1.328 -3.669 413 HG21 VAL 57 1HG2 VAL 57 3.931 -3.501 -0.824 414 HG22 VAL 57 2HG2 VAL 57 2.877 -2.482 -1.804 415 HG23 VAL 57 3HG2 VAL 57 2.954 -4.218 -2.106 416 H ASN 58 H ASN 58 4.434 -1.588 -5.986 417 HA ASN 58 HA ASN 58 5.964 -0.956 -7.544 418 HB2 ASN 58 1HB ASN 58 7.670 -2.134 -5.391 419 HB3 ASN 58 2HB ASN 58 8.420 -1.729 -6.932 420 HD21 ASN 58 1HD2 ASN 58 9.307 -0.456 -4.765 421 HD22 ASN 58 2HD2 ASN 58 8.772 1.186 -4.744 422 H GLY 59 H GLY 59 4.538 -3.430 -7.905 423 HA2 GLY 59 1HA GLY 59 4.490 -5.055 -9.542 424 HA3 GLY 59 2HA GLY 59 6.065 -4.491 -10.080 425 H LYS 60 H LYS 60 5.608 -5.404 -6.767 426 HA LYS 60 HA LYS 60 6.932 -7.981 -7.280 427 HB2 LYS 60 1HB LYS 60 7.634 -5.973 -5.132 428 HB3 LYS 60 2HB LYS 60 8.268 -7.612 -5.205 429 HG2 LYS 60 1HG LYS 60 8.607 -5.715 -7.497 430 HG3 LYS 60 2HG LYS 60 9.711 -5.706 -6.120 431 HD2 LYS 60 1HD LYS 60 9.104 -8.300 -7.456 432 HD3 LYS 60 2HD LYS 60 10.205 -7.172 -8.251 433 HE2 LYS 60 1HE LYS 60 10.513 -8.114 -5.405 434 HE3 LYS 60 2HE LYS 60 11.321 -8.860 -6.783 435 HZ1 LYS 60 1HZ LYS 60 11.664 -6.083 -5.796 436 HZ2 LYS 60 2HZ LYS 60 12.312 -6.649 -7.253 437 HZ3 LYS 60 3HZ LYS 60 12.816 -7.323 -5.785 438 H SER 61 H SER 61 6.183 -9.687 -6.136 439 HA SER 61 HA SER 61 3.692 -9.434 -4.787 440 HB2 SER 61 1HB SER 61 5.465 -11.867 -4.657 441 HB3 SER 61 2HB SER 61 3.703 -11.790 -4.625 442 HG SER 61 HG SER 61 4.474 -12.451 -6.666 443 H VAL 62 H VAL 62 3.616 -8.434 -2.872 444 HA VAL 62 HA VAL 62 5.696 -8.989 -0.880 445 HB VAL 62 HB VAL 62 5.015 -7.039 0.278 446 HG11 VAL 62 1HG1 VAL 62 5.530 -5.374 -1.255 447 HG12 VAL 62 2HG1 VAL 62 6.187 -6.823 -2.018 448 HG13 VAL 62 3HG1 VAL 62 4.644 -6.162 -2.560 449 HG21 VAL 62 1HG2 VAL 62 2.568 -7.093 -1.477 450 HG22 VAL 62 2HG2 VAL 62 2.643 -7.266 0.276 451 HG23 VAL 62 3HG2 VAL 62 3.018 -5.714 -0.474 452 H GLU 63 H GLU 63 2.396 -9.624 -1.623 453 HA GLU 63 HA GLU 63 1.219 -10.024 0.831 454 HB2 GLU 63 1HB GLU 63 -0.409 -11.234 -0.266 455 HB3 GLU 63 2HB GLU 63 0.312 -10.352 -1.604 456 HG2 GLU 63 1HG GLU 63 1.744 -12.369 -2.029 457 HG3 GLU 63 2HG GLU 63 0.755 -13.225 -0.847 458 H ALA 64 H ALA 64 3.816 -11.757 -0.577 459 HA ALA 64 HA ALA 64 3.462 -14.127 1.051 460 HB1 ALA 64 1HB ALA 64 4.810 -15.092 -0.429 461 HB2 ALA 64 2HB ALA 64 4.787 -13.577 -1.332 462 HB3 ALA 64 3HB ALA 64 6.070 -13.887 -0.163 463 H LEU 65 H LEU 65 5.465 -11.233 1.014 464 HA LEU 65 HA LEU 65 7.237 -12.031 3.076 465 HB2 LEU 65 1HB LEU 65 6.512 -9.451 1.776 466 HB3 LEU 65 2HB LEU 65 7.433 -9.416 3.278 467 HG LEU 65 HG LEU 65 8.370 -11.029 0.929 468 HD11 LEU 65 1HD1 LEU 65 9.801 -8.609 1.026 469 HD12 LEU 65 2HD1 LEU 65 8.089 -8.186 1.007 470 HD13 LEU 65 3HD1 LEU 65 8.760 -9.206 -0.267 471 HD21 LEU 65 1HD2 LEU 65 10.113 -9.606 2.876 472 HD22 LEU 65 2HD2 LEU 65 10.375 -11.129 2.027 473 HD23 LEU 65 3HD2 LEU 65 9.273 -11.064 3.404 474 H ASP 66 H ASP 66 7.359 -10.436 5.089 475 HA ASP 66 HA ASP 66 4.729 -10.614 6.400 476 HB2 ASP 66 1HB ASP 66 7.535 -10.811 7.483 477 HB3 ASP 66 2HB ASP 66 6.149 -10.530 8.532 478 H HIS 67 H HIS 67 4.619 -9.007 8.344 479 HA HIS 67 HA HIS 67 4.129 -6.507 7.562 480 HB2 HIS 67 1HB HIS 67 3.664 -7.088 9.822 481 HB3 HIS 67 2HB HIS 67 5.364 -7.387 10.170 482 HD1 HIS 67 1HD HIS 67 2.893 -5.006 10.878 483 HD2 HIS 67 2HD HIS 67 6.858 -4.732 9.668 484 HE1 HIS 67 1HE HIS 67 3.633 -2.689 11.518 485 HE2 HIS 67 2HE HIS 67 6.009 -2.517 10.700 486 H ASP 68 H ASP 68 7.289 -7.297 9.024 487 HA ASP 68 HA ASP 68 8.566 -4.912 8.425 488 HB2 ASP 68 1HB ASP 68 9.728 -6.289 9.904 489 HB3 ASP 68 2HB ASP 68 9.552 -7.709 8.875 490 H GLY 69 H GLY 69 8.510 -7.918 6.516 491 HA2 GLY 69 1HA GLY 69 10.147 -7.199 4.425 492 HA3 GLY 69 2HA GLY 69 8.749 -8.250 4.254 493 H VAL 70 H VAL 70 6.596 -6.987 4.199 494 HA VAL 70 HA VAL 70 6.428 -5.521 1.889 495 HB VAL 70 HB VAL 70 4.583 -5.041 4.223 496 HG11 VAL 70 1HG1 VAL 70 4.400 -3.695 2.080 497 HG12 VAL 70 2HG1 VAL 70 3.919 -5.201 1.295 498 HG13 VAL 70 3HG1 VAL 70 2.943 -4.538 2.607 499 HG21 VAL 70 1HG2 VAL 70 3.408 -7.025 2.750 500 HG22 VAL 70 2HG2 VAL 70 5.105 -7.504 2.738 501 HG23 VAL 70 3HG2 VAL 70 4.269 -7.259 4.271 502 H VAL 71 H VAL 71 6.220 -4.102 5.160 503 HA VAL 71 HA VAL 71 6.272 -1.441 4.471 504 HB VAL 71 HB VAL 71 7.417 -2.832 6.885 505 HG11 VAL 71 1HG1 VAL 71 7.217 -0.375 7.813 506 HG12 VAL 71 2HG1 VAL 71 8.685 -0.928 7.004 507 HG13 VAL 71 3HG1 VAL 71 7.506 0.045 6.124 508 HG21 VAL 71 1HG2 VAL 71 4.928 -2.781 6.437 509 HG22 VAL 71 2HG2 VAL 71 5.446 -2.128 7.991 510 HG23 VAL 71 3HG2 VAL 71 5.011 -1.036 6.676 511 H GLU 72 H GLU 72 8.803 -3.740 4.203 512 HA GLU 72 HA GLU 72 10.965 -1.843 4.221 513 HB2 GLU 72 1HB GLU 72 11.034 -4.381 4.769 514 HB3 GLU 72 2HB GLU 72 11.131 -4.593 3.027 515 HG2 GLU 72 1HG GLU 72 13.339 -4.633 3.947 516 HG3 GLU 72 2HG GLU 72 13.139 -3.161 2.998 517 H MET 73 H MET 73 9.188 -3.654 1.741 518 HA MET 73 HA MET 73 10.607 -2.917 -0.507 519 HB2 MET 73 1HB MET 73 7.606 -3.209 -0.289 520 HB3 MET 73 2HB MET 73 8.545 -3.297 -1.773 521 HG2 MET 73 1HG MET 73 8.904 -5.182 0.540 522 HG3 MET 73 2HG MET 73 7.835 -5.494 -0.825 523 HE1 MET 73 1HE MET 73 10.125 -7.736 -2.601 524 HE2 MET 73 2HE MET 73 8.736 -7.584 -1.525 525 HE3 MET 73 3HE MET 73 8.755 -6.726 -3.067 526 H ILE 74 H ILE 74 8.101 -1.115 1.210 527 HA ILE 74 HA ILE 74 7.895 1.004 -0.654 528 HB ILE 74 HB ILE 74 7.250 0.914 2.293 529 HG12 ILE 74 1HG1 ILE 74 5.222 1.082 0.106 530 HG13 ILE 74 2HG1 ILE 74 6.005 -0.466 0.403 531 HG21 ILE 74 1HG2 ILE 74 7.137 3.119 0.329 532 HG22 ILE 74 2HG2 ILE 74 5.744 2.933 1.393 533 HG23 ILE 74 3HG2 ILE 74 7.352 3.166 2.078 534 HD11 ILE 74 1HD1 ILE 74 3.802 -0.047 1.570 535 HD12 ILE 74 2HD1 ILE 74 5.139 -0.600 2.579 536 HD13 ILE 74 3HD1 ILE 74 4.673 1.101 2.585 537 H ARG 75 H ARG 75 9.856 0.538 2.253 538 HA ARG 75 HA ARG 75 10.985 3.134 2.280 539 HB2 ARG 75 1HB ARG 75 11.629 0.522 3.576 540 HB3 ARG 75 2HB ARG 75 12.843 1.794 3.602 541 HG2 ARG 75 1HG ARG 75 11.583 3.160 4.954 542 HG3 ARG 75 2HG ARG 75 10.059 2.417 4.462 543 HD2 ARG 75 1HD ARG 75 10.492 1.735 6.701 544 HD3 ARG 75 2HD ARG 75 10.788 0.343 5.660 545 HE ARG 75 HE ARG 75 12.943 0.344 6.393 546 HH11 ARG 75 2HH1 ARG 75 11.620 3.529 6.865 547 HH12 ARG 75 1HH1 ARG 75 13.030 4.138 7.667 548 HH21 ARG 75 2HH2 ARG 75 14.805 1.133 7.448 549 HH22 ARG 75 1HH2 ARG 75 14.841 2.775 7.997 550 H LYS 76 H LYS 76 11.868 0.133 0.696 551 HA LYS 76 HA LYS 76 14.463 0.966 -0.129 552 HB2 LYS 76 1HB LYS 76 12.633 -1.196 -1.185 553 HB3 LYS 76 2HB LYS 76 14.298 -0.969 -1.705 554 HG2 LYS 76 1HG LYS 76 15.166 -1.676 0.315 555 HG3 LYS 76 2HG LYS 76 13.675 -1.331 1.193 556 HD2 LYS 76 1HD LYS 76 13.636 -3.639 1.067 557 HD3 LYS 76 2HD LYS 76 12.664 -3.181 -0.333 558 HE2 LYS 76 1HE LYS 76 14.139 -4.852 -1.099 559 HE3 LYS 76 2HE LYS 76 14.799 -3.327 -1.689 560 HZ1 LYS 76 1HZ LYS 76 15.730 -4.484 0.860 561 HZ2 LYS 76 2HZ LYS 76 16.517 -3.386 -0.158 562 HZ3 LYS 76 3HZ LYS 76 16.379 -5.011 -0.610 563 H GLY 77 H GLY 77 11.250 1.387 -1.395 564 HA2 GLY 77 1HA GLY 77 11.796 1.925 -4.076 565 HA3 GLY 77 2HA GLY 77 10.457 2.610 -3.167 566 H GLY 78 H GLY 78 12.338 3.891 -1.246 567 HA2 GLY 78 1HA GLY 78 14.011 5.629 -1.353 568 HA3 GLY 78 2HA GLY 78 13.502 5.951 -3.004 569 H ASP 79 H ASP 79 11.495 7.035 -3.360 570 HA ASP 79 HA ASP 79 10.506 8.497 -1.000 571 HB2 ASP 79 1HB ASP 79 10.703 9.665 -3.778 572 HB3 ASP 79 2HB ASP 79 10.329 10.510 -2.278 573 H GLN 80 H GLN 80 9.721 7.601 -4.356 574 HA GLN 80 HA GLN 80 6.886 7.482 -3.572 575 HB2 GLN 80 1HB GLN 80 6.286 7.948 -5.819 576 HB3 GLN 80 2HB GLN 80 7.564 9.084 -5.409 577 HG2 GLN 80 1HG GLN 80 9.143 7.353 -6.477 578 HG3 GLN 80 2HG GLN 80 7.676 6.691 -7.195 579 HE21 GLN 80 1HE2 GLN 80 6.221 8.592 -8.073 580 HE22 GLN 80 2HE2 GLN 80 7.053 9.682 -9.124 581 H THR 81 H THR 81 5.621 5.716 -4.232 582 HA THR 81 HA THR 81 6.888 3.462 -5.538 583 HB THR 81 HB THR 81 7.578 3.059 -3.247 584 HG1 THR 81 1HG THR 81 7.120 1.028 -3.590 585 HG21 THR 81 1HG2 THR 81 5.107 2.501 -1.962 586 HG22 THR 81 2HG2 THR 81 5.016 4.133 -2.626 587 HG23 THR 81 3HG2 THR 81 6.323 3.700 -1.524 588 H THR 82 H THR 82 5.417 1.924 -6.314 589 HA THR 82 HA THR 82 2.647 2.877 -6.396 590 HB THR 82 HB THR 82 4.067 0.867 -8.153 591 HG1 THR 82 1HG THR 82 4.537 3.227 -8.337 592 HG21 THR 82 1HG2 THR 82 1.358 1.020 -7.661 593 HG22 THR 82 2HG2 THR 82 2.109 0.317 -9.094 594 HG23 THR 82 3HG2 THR 82 1.558 1.992 -9.118 595 H LEU 83 H LEU 83 0.999 1.766 -5.528 596 HA LEU 83 HA LEU 83 1.604 -0.864 -4.349 597 HB2 LEU 83 1HB LEU 83 -0.711 0.762 -3.434 598 HB3 LEU 83 2HB LEU 83 0.289 -0.378 -2.537 599 HG LEU 83 HG LEU 83 1.027 2.446 -3.299 600 HD11 LEU 83 1HD1 LEU 83 -0.242 2.835 -1.478 601 HD12 LEU 83 2HD1 LEU 83 1.207 2.314 -0.619 602 HD13 LEU 83 3HD1 LEU 83 -0.111 1.176 -0.896 603 HD21 LEU 83 1HD2 LEU 83 3.148 2.096 -2.592 604 HD22 LEU 83 2HD2 LEU 83 2.805 0.452 -3.129 605 HD23 LEU 83 3HD2 LEU 83 2.674 0.867 -1.419 606 H LEU 84 H LEU 84 -0.154 -2.417 -4.272 607 HA LEU 84 HA LEU 84 -2.199 -2.007 -6.344 608 HB2 LEU 84 1HB LEU 84 -0.466 -3.335 -7.351 609 HB3 LEU 84 2HB LEU 84 -0.446 -4.428 -5.968 610 HG LEU 84 HG LEU 84 -2.801 -5.077 -6.586 611 HD11 LEU 84 1HD1 LEU 84 -2.923 -4.583 -9.262 612 HD12 LEU 84 2HD1 LEU 84 -2.266 -3.068 -8.645 613 HD13 LEU 84 3HD1 LEU 84 -3.798 -3.682 -8.024 614 HD21 LEU 84 1HD2 LEU 84 -2.017 -6.420 -8.606 615 HD22 LEU 84 2HD2 LEU 84 -1.117 -6.626 -7.103 616 HD23 LEU 84 3HD2 LEU 84 -0.462 -5.615 -8.392 617 H VAL 85 H VAL 85 -3.923 -1.794 -5.002 618 HA VAL 85 HA VAL 85 -4.356 -3.838 -2.943 619 HB VAL 85 HB VAL 85 -5.898 -2.388 -1.904 620 HG11 VAL 85 1HG1 VAL 85 -3.764 -0.561 -2.992 621 HG12 VAL 85 2HG1 VAL 85 -4.616 -0.419 -1.453 622 HG13 VAL 85 3HG1 VAL 85 -3.491 -1.751 -1.720 623 HG21 VAL 85 1HG2 VAL 85 -7.095 -1.742 -3.970 624 HG22 VAL 85 2HG2 VAL 85 -6.792 -0.376 -2.896 625 HG23 VAL 85 3HG2 VAL 85 -5.797 -0.604 -4.334 626 H LEU 86 H LEU 86 -6.437 -4.845 -2.737 627 HA LEU 86 HA LEU 86 -7.626 -5.414 -5.334 628 HB2 LEU 86 1HB LEU 86 -6.925 -7.083 -3.400 629 HB3 LEU 86 2HB LEU 86 -8.557 -6.729 -2.836 630 HG LEU 86 HG LEU 86 -8.660 -8.740 -4.094 631 HD11 LEU 86 1HD1 LEU 86 -9.589 -6.693 -6.073 632 HD12 LEU 86 2HD1 LEU 86 -10.371 -6.864 -4.503 633 HD13 LEU 86 3HD1 LEU 86 -10.335 -8.226 -5.622 634 HD21 LEU 86 1HD2 LEU 86 -6.686 -7.402 -5.749 635 HD22 LEU 86 2HD2 LEU 86 -7.960 -8.161 -6.703 636 HD23 LEU 86 3HD2 LEU 86 -7.024 -9.122 -5.558 637 H ASP 87 H ASP 87 -9.613 -4.800 -5.953 638 HA ASP 87 HA ASP 87 -11.162 -3.161 -4.075 639 HB2 ASP 87 1HB ASP 87 -12.386 -2.569 -6.315 640 HB3 ASP 87 2HB ASP 87 -10.819 -1.850 -5.953 641 H LYS 88 H LYS 88 -11.949 -5.290 -6.828 642 HA LYS 88 HA LYS 88 -14.515 -5.878 -6.439 643 HB2 LYS 88 1HB LYS 88 -12.664 -7.007 -7.964 644 HB3 LYS 88 2HB LYS 88 -12.746 -8.264 -6.737 645 HG2 LYS 88 1HG LYS 88 -15.280 -7.277 -7.946 646 HG3 LYS 88 2HG LYS 88 -14.248 -8.361 -8.881 647 HD2 LYS 88 1HD LYS 88 -14.258 -9.897 -6.873 648 HD3 LYS 88 2HD LYS 88 -15.529 -8.871 -6.204 649 HE2 LYS 88 1HE LYS 88 -15.658 -10.294 -8.861 650 HE3 LYS 88 2HE LYS 88 -16.414 -10.858 -7.372 651 HZ1 LYS 88 1HZ LYS 88 -17.443 -9.071 -9.248 652 HZ2 LYS 88 2HZ LYS 88 -17.177 -8.195 -7.826 653 HZ3 LYS 88 3HZ LYS 88 -18.151 -9.578 -7.797 654 H GLU 89 H GLU 89 -12.003 -7.826 -4.810 655 HA GLU 89 HA GLU 89 -13.990 -8.553 -2.777 656 HB2 GLU 89 1HB GLU 89 -11.262 -9.788 -3.051 657 HB3 GLU 89 2HB GLU 89 -12.703 -10.465 -2.305 658 HG2 GLU 89 1HG GLU 89 -12.770 -9.849 -5.210 659 HG3 GLU 89 2HG GLU 89 -11.870 -11.262 -4.664 660 H ALA 90 H ALA 90 -13.423 -6.099 -2.262 661 HA ALA 90 HA ALA 90 -11.060 -5.846 -0.586 662 HB1 ALA 90 1HB ALA 90 -11.644 -3.512 -0.406 663 HB2 ALA 90 2HB ALA 90 -11.737 -4.011 -2.096 664 HB3 ALA 90 3HB ALA 90 -13.214 -3.814 -1.152 665 H GLU 91 H GLU 91 -14.573 -5.947 -0.255 666 HA GLU 91 HA GLU 91 -14.797 -5.263 2.433 667 HB2 GLU 91 1HB GLU 91 -16.452 -7.091 0.698 668 HB3 GLU 91 2HB GLU 91 -16.890 -6.715 2.359 669 HG2 GLU 91 1HG GLU 91 -18.118 -5.150 1.259 670 HG3 GLU 91 2HG GLU 91 -16.633 -4.239 1.526 671 H SER 92 H SER 92 -13.849 -6.155 4.131 672 HA SER 92 HA SER 92 -13.057 -8.967 4.038 673 HB2 SER 92 1HB SER 92 -11.403 -7.216 4.715 674 HB3 SER 92 2HB SER 92 -12.396 -6.887 6.135 675 HG SER 92 HG SER 92 -12.117 -9.354 6.370 676 H ILE 93 H ILE 93 -14.717 -10.260 4.577 677 HA ILE 93 HA ILE 93 -16.946 -9.881 6.004 678 HB ILE 93 HB ILE 93 -16.890 -12.229 6.730 679 HG12 ILE 93 1HG1 ILE 93 -14.803 -13.535 5.915 680 HG13 ILE 93 2HG1 ILE 93 -13.996 -11.972 5.953 681 HG21 ILE 93 1HG2 ILE 93 -17.069 -13.132 4.610 682 HG22 ILE 93 2HG2 ILE 93 -17.263 -11.408 4.297 683 HG23 ILE 93 3HG2 ILE 93 -15.715 -12.193 3.983 684 HD11 ILE 93 1HD1 ILE 93 -15.408 -12.392 8.405 685 HD12 ILE 93 2HD1 ILE 93 -14.360 -13.769 8.062 686 HD13 ILE 93 3HD1 ILE 93 -13.684 -12.142 8.132 687 H TYR 94 H TYR 94 -17.641 -10.106 8.172 688 HA TYR 94 HA TYR 94 -15.612 -10.087 10.263 689 HB2 TYR 94 1HB TYR 94 -17.494 -7.796 9.715 690 HB3 TYR 94 2HB TYR 94 -16.760 -8.050 11.294 691 HD1 TYR 94 2HD TYR 94 -14.038 -8.839 10.663 692 HD2 TYR 94 1HD TYR 94 -16.501 -5.919 8.789 693 HE1 TYR 94 2HE TYR 94 -12.030 -7.625 9.928 694 HE2 TYR 94 1HE TYR 94 -14.499 -4.698 8.048 695 HH TYR 94 HH TYR 94 -11.388 -6.028 8.162 696 H SER 95 H SER 95 -16.647 -10.094 12.465 697 HA SER 95 HA SER 95 -19.146 -11.650 12.360 698 HB2 SER 95 1HB SER 95 -17.057 -12.817 13.190 699 HB3 SER 95 2HB SER 95 -17.085 -11.720 14.571 700 HG SER 95 HG SER 95 -19.421 -12.566 14.671 701 H LEU 96 H LEU 96 -17.334 -9.475 14.530 702 HA LEU 96 HA LEU 96 -18.022 -7.956 16.081 703 HB2 LEU 96 1HB LEU 96 -19.917 -7.658 13.813 704 HB3 LEU 96 2HB LEU 96 -20.292 -6.816 15.316 705 HG LEU 96 HG LEU 96 -17.891 -5.868 15.104 706 HD11 LEU 96 1HD1 LEU 96 -17.763 -5.655 12.365 707 HD12 LEU 96 2HD1 LEU 96 -18.185 -7.348 12.619 708 HD13 LEU 96 3HD1 LEU 96 -16.741 -6.677 13.376 709 HD21 LEU 96 1HD2 LEU 96 -19.930 -4.542 14.909 710 HD22 LEU 96 2HD2 LEU 96 -20.084 -5.012 13.217 711 HD23 LEU 96 3HD2 LEU 96 -18.721 -4.021 13.736 712 H SER 97 H SER 97 -18.774 -10.649 16.588 713 HA SER 97 HA SER 97 -21.446 -10.984 17.345 714 HB2 SER 97 1HB SER 97 -20.711 -12.883 18.603 715 HB3 SER 97 2HB SER 97 -19.673 -12.783 17.181 716 HG SER 97 HG SER 97 -18.077 -11.840 18.474 717 H GLY 98 H GLY 98 -22.607 -10.466 19.128 718 HA2 GLY 98 1HA GLY 98 -21.197 -9.172 21.366 719 HA3 GLY 98 2HA GLY 98 -22.554 -8.357 20.603 720 HA PRO 99 HA PRO 99 -25.412 -10.411 23.206 721 HB2 PRO 99 1HB PRO 99 -27.454 -11.041 21.531 722 HB3 PRO 99 2HB PRO 99 -27.105 -9.385 22.040 723 HG2 PRO 99 1HG PRO 99 -26.373 -10.779 19.493 724 HG3 PRO 99 2HG PRO 99 -26.989 -9.133 19.731 725 HD2 PRO 99 1HD PRO 99 -24.366 -9.660 19.315 726 HD3 PRO 99 2HD PRO 99 -24.920 -8.308 20.324 727 H SER 100 H SER 100 -23.664 -12.100 20.983 728 HA SER 100 HA SER 100 -24.830 -14.538 20.580 729 HB2 SER 100 1HB SER 100 -22.451 -15.475 20.784 730 HB3 SER 100 2HB SER 100 -22.700 -14.181 19.611 731 HG SER 100 HG SER 100 -21.243 -13.113 20.661 732 H SER 101 H SER 101 -25.032 -16.461 21.699 733 HA SER 101 HA SER 101 -24.190 -16.579 24.484 734 HB2 SER 101 1HB SER 101 -27.089 -16.829 23.647 735 HB3 SER 101 2HB SER 101 -26.466 -17.208 25.252 736 HG SER 101 HG SER 101 -26.132 -15.112 25.641 737 H GLY 102 H GLY 102 -24.634 -18.759 25.439 738 HA2 GLY 102 1HA GLY 102 -24.047 -20.995 25.275 739 HA3 GLY 102 2HA GLY 102 -25.474 -21.028 24.249 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -17.018 1.896 -15.097 2 HA2 GLY 1 1HA GLY 1 -18.016 3.684 -13.027 3 HA3 GLY 1 2HA GLY 1 -18.425 1.986 -12.835 4 H SER 2 H SER 2 -17.162 2.570 -10.783 5 HA SER 2 HA SER 2 -14.268 2.352 -11.217 6 HB2 SER 2 1HB SER 2 -14.006 3.086 -8.923 7 HB3 SER 2 2HB SER 2 -15.118 4.181 -9.743 8 HG SER 2 HG SER 2 -16.322 2.030 -8.519 9 H SER 3 H SER 3 -15.738 0.063 -11.752 10 HA SER 3 HA SER 3 -14.537 -1.776 -9.880 11 HB2 SER 3 1HB SER 3 -17.542 -1.635 -10.200 12 HB3 SER 3 2HB SER 3 -16.692 -3.004 -9.481 13 HG SER 3 HG SER 3 -15.731 -1.129 -8.133 14 H GLY 4 H GLY 4 -14.000 -3.673 -10.835 15 HA2 GLY 4 1HA GLY 4 -15.074 -5.263 -12.638 16 HA3 GLY 4 2HA GLY 4 -14.637 -3.918 -13.681 17 H SER 5 H SER 5 -12.198 -3.196 -12.509 18 HA SER 5 HA SER 5 -10.471 -5.086 -13.739 19 HB2 SER 5 1HB SER 5 -10.047 -2.576 -12.143 20 HB3 SER 5 2HB SER 5 -8.677 -3.602 -12.565 21 HG SER 5 HG SER 5 -8.753 -2.790 -14.490 22 H SER 6 H SER 6 -8.405 -5.767 -12.464 23 HA SER 6 HA SER 6 -9.301 -7.032 -9.957 24 HB2 SER 6 1HB SER 6 -7.527 -8.031 -12.172 25 HB3 SER 6 2HB SER 6 -7.427 -8.722 -10.552 26 HG SER 6 HG SER 6 -9.647 -8.685 -12.308 27 H GLY 7 H GLY 7 -8.573 -5.038 -8.897 28 HA2 GLY 7 1HA GLY 7 -6.917 -4.535 -7.237 29 HA3 GLY 7 2HA GLY 7 -5.695 -5.207 -8.306 30 H ARG 8 H ARG 8 -6.766 -2.412 -7.029 31 HA ARG 8 HA ARG 8 -6.467 -0.733 -9.370 32 HB2 ARG 8 1HB ARG 8 -6.921 1.122 -7.860 33 HB3 ARG 8 2HB ARG 8 -8.107 -0.156 -7.628 34 HG2 ARG 8 1HG ARG 8 -6.852 -0.923 -5.650 35 HG3 ARG 8 2HG ARG 8 -5.736 0.427 -5.867 36 HD2 ARG 8 1HD ARG 8 -8.701 0.816 -5.564 37 HD3 ARG 8 2HD ARG 8 -7.613 0.741 -4.179 38 HE ARG 8 HE ARG 8 -6.789 2.824 -4.735 39 HH11 ARG 8 2HH1 ARG 8 -8.861 1.633 -7.267 40 HH12 ARG 8 1HH1 ARG 8 -8.943 3.153 -8.094 41 HH21 ARG 8 2HH2 ARG 8 -6.889 4.831 -5.815 42 HH22 ARG 8 1HH2 ARG 8 -7.820 4.971 -7.268 43 H VAL 9 H VAL 9 -4.902 1.019 -9.455 44 HA VAL 9 HA VAL 9 -2.339 0.230 -8.239 45 HB VAL 9 HB VAL 9 -2.868 1.806 -10.761 46 HG11 VAL 9 1HG1 VAL 9 -0.741 2.479 -10.799 47 HG12 VAL 9 2HG1 VAL 9 -0.684 2.040 -9.091 48 HG13 VAL 9 3HG1 VAL 9 -0.147 0.890 -10.317 49 HG21 VAL 9 1HG2 VAL 9 -1.346 -0.350 -11.444 50 HG22 VAL 9 2HG2 VAL 9 -2.377 -1.024 -10.181 51 HG23 VAL 9 3HG2 VAL 9 -3.101 -0.264 -11.598 52 H VAL 10 H VAL 10 -1.391 1.556 -6.833 53 HA VAL 10 HA VAL 10 -2.369 4.333 -6.659 54 HB VAL 10 HB VAL 10 -1.156 2.894 -4.323 55 HG11 VAL 10 1HG1 VAL 10 -2.369 4.517 -3.031 56 HG12 VAL 10 2HG1 VAL 10 -1.469 5.359 -4.293 57 HG13 VAL 10 3HG1 VAL 10 -3.205 5.101 -4.469 58 HG21 VAL 10 1HG2 VAL 10 -3.263 2.078 -3.608 59 HG22 VAL 10 2HG2 VAL 10 -4.111 2.930 -4.897 60 HG23 VAL 10 3HG2 VAL 10 -3.073 1.558 -5.282 61 H VAL 11 H VAL 11 -0.871 5.968 -6.211 62 HA VAL 11 HA VAL 11 1.967 5.223 -6.275 63 HB VAL 11 HB VAL 11 0.843 7.446 -7.978 64 HG11 VAL 11 1HG1 VAL 11 3.083 7.325 -9.042 65 HG12 VAL 11 2HG1 VAL 11 3.135 7.811 -7.346 66 HG13 VAL 11 3HG1 VAL 11 3.566 6.163 -7.807 67 HG21 VAL 11 1HG2 VAL 11 1.335 4.567 -8.588 68 HG22 VAL 11 2HG2 VAL 11 0.011 5.613 -9.100 69 HG23 VAL 11 3HG2 VAL 11 1.603 5.778 -9.842 70 H ILE 12 H ILE 12 2.945 6.114 -4.593 71 HA ILE 12 HA ILE 12 2.070 8.782 -3.700 72 HB ILE 12 HB ILE 12 3.067 6.632 -1.836 73 HG12 ILE 12 1HG1 ILE 12 0.200 7.475 -1.915 74 HG13 ILE 12 2HG1 ILE 12 0.765 6.298 -3.095 75 HG21 ILE 12 1HG2 ILE 12 1.869 9.361 -1.463 76 HG22 ILE 12 2HG2 ILE 12 1.914 8.168 -0.166 77 HG23 ILE 12 3HG2 ILE 12 3.417 8.749 -0.881 78 HD11 ILE 12 1HD1 ILE 12 -0.188 5.695 -0.634 79 HD12 ILE 12 2HD1 ILE 12 0.887 4.662 -1.577 80 HD13 ILE 12 3HD1 ILE 12 1.550 5.724 -0.335 81 H LYS 13 H LYS 13 3.691 10.096 -2.720 82 HA LYS 13 HA LYS 13 6.460 9.221 -3.164 83 HB2 LYS 13 1HB LYS 13 5.763 12.058 -3.753 84 HB3 LYS 13 2HB LYS 13 7.038 11.053 -4.430 85 HG2 LYS 13 1HG LYS 13 5.379 9.840 -5.754 86 HG3 LYS 13 2HG LYS 13 4.103 10.855 -5.078 87 HD2 LYS 13 1HD LYS 13 4.723 12.685 -6.300 88 HD3 LYS 13 2HD LYS 13 6.420 12.202 -6.363 89 HE2 LYS 13 1HE LYS 13 5.533 10.257 -7.842 90 HE3 LYS 13 2HE LYS 13 4.123 11.295 -8.052 91 HZ1 LYS 13 1HZ LYS 13 5.356 12.065 -9.758 92 HZ2 LYS 13 2HZ LYS 13 6.832 11.616 -9.065 93 HZ3 LYS 13 3HZ LYS 13 6.054 13.030 -8.557 94 H LYS 14 H LYS 14 7.470 9.297 -1.278 95 HA LYS 14 HA LYS 14 6.703 10.232 1.105 96 HB2 LYS 14 1HB LYS 14 8.982 9.164 0.281 97 HB3 LYS 14 2HB LYS 14 9.537 10.830 0.380 98 HG2 LYS 14 1HG LYS 14 9.097 10.941 2.698 99 HG3 LYS 14 2HG LYS 14 8.182 9.432 2.667 100 HD2 LYS 14 1HD LYS 14 11.018 9.377 1.769 101 HD3 LYS 14 2HD LYS 14 10.693 9.519 3.499 102 HE2 LYS 14 1HE LYS 14 9.231 7.446 1.941 103 HE3 LYS 14 2HE LYS 14 10.929 7.166 2.323 104 HZ1 LYS 14 1HZ LYS 14 9.034 6.423 3.947 105 HZ2 LYS 14 2HZ LYS 14 9.143 8.024 4.481 106 HZ3 LYS 14 3HZ LYS 14 10.502 7.018 4.542 107 H GLY 15 H GLY 15 6.651 12.123 2.272 108 HA2 GLY 15 1HA GLY 15 7.786 14.568 1.336 109 HA3 GLY 15 2HA GLY 15 6.061 14.502 1.010 110 H SER 16 H SER 16 4.753 13.728 3.012 111 HA SER 16 HA SER 16 5.412 15.573 5.145 112 HB2 SER 16 1HB SER 16 3.102 15.448 4.315 113 HB3 SER 16 2HB SER 16 3.017 13.752 4.791 114 HG SER 16 HG SER 16 3.231 14.384 6.939 115 H ASN 17 H ASN 17 7.200 14.621 6.141 116 HA ASN 17 HA ASN 17 8.384 13.093 7.387 117 HB2 ASN 17 1HB ASN 17 6.775 14.328 8.951 118 HB3 ASN 17 2HB ASN 17 5.807 12.857 8.934 119 HD21 ASN 17 1HD2 ASN 17 6.219 12.869 11.237 120 HD22 ASN 17 2HD2 ASN 17 7.689 12.185 11.835 121 H GLY 18 H GLY 18 7.176 11.867 5.119 122 HA2 GLY 18 1HA GLY 18 7.669 9.349 5.048 123 HA3 GLY 18 2HA GLY 18 6.327 9.252 6.178 124 H TYR 19 H TYR 19 4.968 8.060 4.896 125 HA TYR 19 HA TYR 19 4.241 9.176 2.281 126 HB2 TYR 19 1HB TYR 19 3.779 6.454 3.508 127 HB3 TYR 19 2HB TYR 19 3.073 6.957 1.977 128 HD1 TYR 19 2HD TYR 19 4.501 7.320 0.010 129 HD2 TYR 19 1HD TYR 19 6.113 5.895 3.681 130 HE1 TYR 19 2HE TYR 19 6.540 6.610 -1.167 131 HE2 TYR 19 1HE TYR 19 8.157 5.182 2.514 132 HH TYR 19 HH TYR 19 8.424 4.679 -0.585 133 H GLY 20 H GLY 20 2.615 7.662 5.080 134 HA2 GLY 20 1HA GLY 20 0.881 9.079 6.175 135 HA3 GLY 20 2HA GLY 20 0.320 9.449 4.552 136 H PHE 21 H PHE 21 1.374 6.272 5.617 137 HA PHE 21 HA PHE 21 -1.297 5.309 6.062 138 HB2 PHE 21 1HB PHE 21 -1.526 3.885 4.191 139 HB3 PHE 21 2HB PHE 21 -1.006 5.429 3.524 140 HD1 PHE 21 2HD PHE 21 0.374 2.179 4.706 141 HD2 PHE 21 1HD PHE 21 0.762 5.481 2.049 142 HE1 PHE 21 2HE PHE 21 2.259 1.057 3.593 143 HE2 PHE 21 1HE PHE 21 2.647 4.364 0.930 144 HZ PHE 21 HZ PHE 21 3.399 2.149 1.703 145 H TYR 22 H TYR 22 -1.311 3.454 7.238 146 HA TYR 22 HA TYR 22 1.316 2.349 7.941 147 HB2 TYR 22 1HB TYR 22 -1.329 2.182 9.401 148 HB3 TYR 22 2HB TYR 22 0.183 1.475 9.960 149 HD1 TYR 22 1HD TYR 22 -1.267 4.762 8.944 150 HD2 TYR 22 2HD TYR 22 1.536 2.697 11.390 151 HE1 TYR 22 1HE TYR 22 -0.703 6.874 10.070 152 HE2 TYR 22 2HE TYR 22 2.107 4.804 12.525 153 HH TYR 22 HH TYR 22 1.626 6.964 12.747 154 H LEU 23 H LEU 23 1.344 -0.010 8.480 155 HA LEU 23 HA LEU 23 -0.470 -1.551 6.752 156 HB2 LEU 23 1HB LEU 23 2.525 -1.734 6.938 157 HB3 LEU 23 2HB LEU 23 1.534 -3.031 6.274 158 HG LEU 23 HG LEU 23 1.536 -0.231 5.163 159 HD11 LEU 23 1HD1 LEU 23 3.455 -2.438 4.802 160 HD12 LEU 23 2HD1 LEU 23 3.662 -0.701 4.581 161 HD13 LEU 23 3HD1 LEU 23 2.879 -1.662 3.326 162 HD21 LEU 23 1HD2 LEU 23 0.917 -1.996 3.166 163 HD22 LEU 23 2HD2 LEU 23 -0.251 -1.074 4.113 164 HD23 LEU 23 3HD2 LEU 23 0.145 -2.731 4.571 165 H ARG 24 H ARG 24 -1.179 -3.469 7.556 166 HA ARG 24 HA ARG 24 -0.072 -4.343 10.141 167 HB2 ARG 24 1HB ARG 24 -2.884 -3.750 9.374 168 HB3 ARG 24 2HB ARG 24 -2.610 -5.139 10.418 169 HG2 ARG 24 1HG ARG 24 -2.934 -3.493 11.967 170 HG3 ARG 24 2HG ARG 24 -1.178 -3.438 11.797 171 HD2 ARG 24 1HD ARG 24 -2.814 -1.734 9.994 172 HD3 ARG 24 2HD ARG 24 -2.672 -1.251 11.683 173 HE ARG 24 HE ARG 24 -0.716 -0.917 9.700 174 HH11 ARG 24 2HH1 ARG 24 -1.021 -1.955 13.009 175 HH12 ARG 24 1HH1 ARG 24 0.585 -1.472 13.445 176 HH21 ARG 24 2HH2 ARG 24 1.400 -0.277 10.262 177 HH22 ARG 24 1HH2 ARG 24 1.960 -0.517 11.882 178 H ALA 25 H ALA 25 -0.743 -6.635 10.669 179 HA ALA 25 HA ALA 25 -0.307 -8.276 8.294 180 HB1 ALA 25 1HB ALA 25 1.186 -8.629 10.178 181 HB2 ALA 25 2HB ALA 25 -0.189 -8.999 11.219 182 HB3 ALA 25 3HB ALA 25 0.216 -10.071 9.879 183 H GLY 26 H GLY 26 -2.226 -8.610 7.283 184 HA2 GLY 26 1HA GLY 26 -4.677 -9.053 8.691 185 HA3 GLY 26 2HA GLY 26 -4.421 -9.241 6.963 186 HA PRO 27 HA PRO 27 -4.932 -13.408 9.121 187 HB2 PRO 27 1HB PRO 27 -7.264 -14.111 7.922 188 HB3 PRO 27 2HB PRO 27 -7.199 -13.220 9.447 189 HG2 PRO 27 1HG PRO 27 -7.645 -12.194 6.670 190 HG3 PRO 27 2HG PRO 27 -8.476 -11.752 8.173 191 HD2 PRO 27 1HD PRO 27 -6.521 -10.225 7.086 192 HD3 PRO 27 2HD PRO 27 -6.785 -10.333 8.838 193 H GLU 28 H GLU 28 -5.932 -15.436 7.605 194 HA GLU 28 HA GLU 28 -3.964 -16.296 6.003 195 HB2 GLU 28 1HB GLU 28 -6.932 -16.695 5.666 196 HB3 GLU 28 2HB GLU 28 -5.755 -17.536 4.667 197 HG2 GLU 28 1HG GLU 28 -4.725 -18.269 6.922 198 HG3 GLU 28 2HG GLU 28 -6.292 -17.815 7.591 199 H GLN 29 H GLN 29 -6.315 -13.867 5.167 200 HA GLN 29 HA GLN 29 -6.064 -13.821 2.396 201 HB2 GLN 29 1HB GLN 29 -6.742 -11.753 4.450 202 HB3 GLN 29 2HB GLN 29 -6.516 -11.263 2.777 203 HG2 GLN 29 1HG GLN 29 -8.426 -13.422 3.628 204 HG3 GLN 29 2HG GLN 29 -8.878 -11.727 3.456 205 HE21 GLN 29 1HE2 GLN 29 -9.974 -11.449 1.659 206 HE22 GLN 29 2HE2 GLN 29 -9.618 -12.159 0.124 207 H LYS 30 H LYS 30 -4.082 -13.976 1.499 208 HA LYS 30 HA LYS 30 -1.694 -12.937 2.411 209 HB2 LYS 30 1HB LYS 30 -2.537 -13.300 -0.471 210 HB3 LYS 30 2HB LYS 30 -0.880 -13.147 0.100 211 HG2 LYS 30 1HG LYS 30 -2.750 -15.356 0.925 212 HG3 LYS 30 2HG LYS 30 -1.586 -15.477 -0.397 213 HD2 LYS 30 1HD LYS 30 0.247 -15.340 1.052 214 HD3 LYS 30 2HD LYS 30 -0.730 -14.688 2.370 215 HE2 LYS 30 1HE LYS 30 -1.874 -16.837 2.586 216 HE3 LYS 30 2HE LYS 30 -0.916 -17.487 1.256 217 HZ1 LYS 30 1HZ LYS 30 -0.094 -18.081 3.508 218 HZ2 LYS 30 2HZ LYS 30 0.259 -16.449 3.775 219 HZ3 LYS 30 3HZ LYS 30 1.055 -17.296 2.546 220 H GLY 31 H GLY 31 -0.922 -10.945 2.649 221 HA2 GLY 31 1HA GLY 31 -0.479 -8.826 1.377 222 HA3 GLY 31 2HA GLY 31 -2.217 -8.772 1.122 223 H GLN 32 H GLN 32 -0.670 -6.717 2.327 224 HA GLN 32 HA GLN 32 -1.370 -6.879 5.165 225 HB2 GLN 32 1HB GLN 32 0.175 -4.696 3.764 226 HB3 GLN 32 2HB GLN 32 0.067 -4.983 5.496 227 HG2 GLN 32 1HG GLN 32 1.400 -6.776 3.479 228 HG3 GLN 32 2HG GLN 32 2.208 -5.707 4.624 229 HE21 GLN 32 1HE2 GLN 32 2.085 -6.199 6.858 230 HE22 GLN 32 2HE2 GLN 32 1.787 -7.814 7.394 231 H ILE 33 H ILE 33 -2.502 -5.137 6.196 232 HA ILE 33 HA ILE 33 -4.457 -3.880 4.399 233 HB ILE 33 HB ILE 33 -4.715 -4.125 7.389 234 HG12 ILE 33 1HG1 ILE 33 -5.883 -6.028 5.355 235 HG13 ILE 33 2HG1 ILE 33 -4.399 -6.361 6.241 236 HG21 ILE 33 1HG2 ILE 33 -7.195 -4.093 6.613 237 HG22 ILE 33 2HG2 ILE 33 -6.280 -2.587 6.670 238 HG23 ILE 33 3HG2 ILE 33 -6.533 -3.407 5.129 239 HD11 ILE 33 1HD1 ILE 33 -5.632 -6.247 8.342 240 HD12 ILE 33 2HD1 ILE 33 -7.118 -5.917 7.450 241 HD13 ILE 33 3HD1 ILE 33 -6.300 -7.468 7.259 242 H ILE 34 H ILE 34 -5.031 -1.694 4.658 243 HA ILE 34 HA ILE 34 -2.941 -0.070 5.942 244 HB ILE 34 HB ILE 34 -4.817 0.621 3.680 245 HG12 ILE 34 1HG1 ILE 34 -1.825 0.198 3.817 246 HG13 ILE 34 2HG1 ILE 34 -2.996 -0.799 2.960 247 HG21 ILE 34 1HG2 ILE 34 -4.347 2.505 5.272 248 HG22 ILE 34 2HG2 ILE 34 -2.646 2.358 4.832 249 HG23 ILE 34 3HG2 ILE 34 -3.840 2.787 3.607 250 HD11 ILE 34 1HD1 ILE 34 -1.655 0.728 1.521 251 HD12 ILE 34 2HD1 ILE 34 -3.401 0.921 1.369 252 HD13 ILE 34 3HD1 ILE 34 -2.464 2.085 2.304 253 H LYS 35 H LYS 35 -3.477 1.643 7.272 254 HA LYS 35 HA LYS 35 -6.145 2.515 7.718 255 HB2 LYS 35 1HB LYS 35 -6.101 1.712 10.187 256 HB3 LYS 35 2HB LYS 35 -6.613 0.590 8.933 257 HG2 LYS 35 1HG LYS 35 -4.087 -0.089 8.929 258 HG3 LYS 35 2HG LYS 35 -4.110 0.621 10.545 259 HD2 LYS 35 1HD LYS 35 -4.615 -1.600 10.969 260 HD3 LYS 35 2HD LYS 35 -6.215 -0.859 10.888 261 HE2 LYS 35 1HE LYS 35 -6.600 -1.698 8.718 262 HE3 LYS 35 2HE LYS 35 -4.903 -2.118 8.494 263 HZ1 LYS 35 1HZ LYS 35 -5.601 -3.545 10.682 264 HZ2 LYS 35 2HZ LYS 35 -5.540 -4.151 9.104 265 HZ3 LYS 35 3HZ LYS 35 -7.010 -3.618 9.749 266 H ASP 36 H ASP 36 -6.257 3.983 9.677 267 HA ASP 36 HA ASP 36 -5.490 5.792 10.825 268 HB2 ASP 36 1HB ASP 36 -3.163 3.933 10.904 269 HB3 ASP 36 2HB ASP 36 -2.891 5.607 11.381 270 H ILE 37 H ILE 37 -5.608 5.934 8.011 271 HA ILE 37 HA ILE 37 -3.308 7.010 6.813 272 HB ILE 37 HB ILE 37 -6.229 7.408 6.181 273 HG12 ILE 37 1HG1 ILE 37 -4.111 5.855 4.687 274 HG13 ILE 37 2HG1 ILE 37 -5.159 5.132 5.902 275 HG21 ILE 37 1HG2 ILE 37 -3.800 8.385 4.694 276 HG22 ILE 37 2HG2 ILE 37 -5.406 8.271 3.978 277 HG23 ILE 37 3HG2 ILE 37 -5.126 9.348 5.346 278 HD11 ILE 37 1HD1 ILE 37 -6.940 5.095 4.531 279 HD12 ILE 37 2HD1 ILE 37 -6.513 6.621 3.755 280 HD13 ILE 37 3HD1 ILE 37 -5.696 5.131 3.281 281 H GLU 38 H GLU 38 -2.476 9.035 6.686 282 HA GLU 38 HA GLU 38 -3.476 10.980 8.606 283 HB2 GLU 38 1HB GLU 38 -0.955 10.833 6.955 284 HB3 GLU 38 2HB GLU 38 -1.364 12.223 7.951 285 HG2 GLU 38 1HG GLU 38 -1.524 10.596 9.892 286 HG3 GLU 38 2HG GLU 38 -0.750 9.422 8.829 287 HA PRO 39 HA PRO 39 -5.542 13.458 5.609 288 HB2 PRO 39 1HB PRO 39 -5.557 15.814 6.958 289 HB3 PRO 39 2HB PRO 39 -6.601 14.453 7.389 290 HG2 PRO 39 1HG PRO 39 -4.010 15.316 8.616 291 HG3 PRO 39 2HG PRO 39 -5.500 14.776 9.411 292 HD2 PRO 39 1HD PRO 39 -3.362 13.151 9.065 293 HD3 PRO 39 2HD PRO 39 -5.031 12.547 9.055 294 H GLY 40 H GLY 40 -5.140 15.022 4.039 295 HA2 GLY 40 1HA GLY 40 -3.821 16.197 2.570 296 HA3 GLY 40 2HA GLY 40 -3.148 16.942 4.013 297 H SER 41 H SER 41 -2.764 13.564 3.875 298 HA SER 41 HA SER 41 0.095 13.906 3.419 299 HB2 SER 41 1HB SER 41 0.389 11.788 4.432 300 HB3 SER 41 2HB SER 41 -0.907 12.551 5.354 301 HG SER 41 HG SER 41 -2.301 11.375 3.718 302 HA PRO 42 HA PRO 42 0.464 12.494 -0.705 303 HB2 PRO 42 1HB PRO 42 2.291 10.398 0.378 304 HB3 PRO 42 2HB PRO 42 2.554 11.552 -0.935 305 HG2 PRO 42 1HG PRO 42 3.655 11.911 1.482 306 HG3 PRO 42 2HG PRO 42 3.084 13.277 0.507 307 HD2 PRO 42 1HD PRO 42 1.917 12.065 2.935 308 HD3 PRO 42 2HD PRO 42 1.822 13.734 2.336 309 H ALA 43 H ALA 43 -0.054 10.102 1.830 310 HA ALA 43 HA ALA 43 -0.840 7.978 0.116 311 HB1 ALA 43 1HB ALA 43 -0.201 7.226 2.195 312 HB2 ALA 43 2HB ALA 43 -1.059 8.514 3.044 313 HB3 ALA 43 3HB ALA 43 -1.959 7.175 2.332 314 H GLU 44 H GLU 44 -2.643 10.439 1.924 315 HA GLU 44 HA GLU 44 -5.207 9.468 1.132 316 HB2 GLU 44 1HB GLU 44 -4.881 10.789 3.181 317 HB3 GLU 44 2HB GLU 44 -4.410 12.177 2.211 318 HG2 GLU 44 1HG GLU 44 -6.639 12.560 2.808 319 HG3 GLU 44 2HG GLU 44 -6.692 12.024 1.130 320 H ALA 45 H ALA 45 -2.936 11.805 -0.143 321 HA ALA 45 HA ALA 45 -4.768 12.938 -2.039 322 HB1 ALA 45 1HB ALA 45 -2.796 14.146 -1.104 323 HB2 ALA 45 2HB ALA 45 -1.760 13.092 -2.068 324 HB3 ALA 45 3HB ALA 45 -2.899 14.177 -2.865 325 H ALA 46 H ALA 46 -2.559 10.255 -1.983 326 HA ALA 46 HA ALA 46 -2.267 9.899 -4.775 327 HB1 ALA 46 1HB ALA 46 -0.853 8.876 -2.941 328 HB2 ALA 46 2HB ALA 46 -2.150 7.698 -2.729 329 HB3 ALA 46 3HB ALA 46 -1.300 7.807 -4.271 330 H GLY 47 H GLY 47 -4.719 8.922 -2.474 331 HA2 GLY 47 1HA GLY 47 -6.974 8.636 -3.431 332 HA3 GLY 47 2HA GLY 47 -6.217 7.695 -4.707 333 H LEU 48 H LEU 48 -4.773 7.083 -1.735 334 HA LEU 48 HA LEU 48 -5.421 4.394 -1.657 335 HB2 LEU 48 1HB LEU 48 -4.338 6.344 0.297 336 HB3 LEU 48 2HB LEU 48 -4.909 4.800 0.925 337 HG LEU 48 HG LEU 48 -2.726 5.215 -1.116 338 HD11 LEU 48 1HD1 LEU 48 -2.768 4.546 1.799 339 HD12 LEU 48 2HD1 LEU 48 -1.779 5.723 0.935 340 HD13 LEU 48 3HD1 LEU 48 -1.445 3.999 0.769 341 HD21 LEU 48 1HD2 LEU 48 -2.789 2.573 -0.107 342 HD22 LEU 48 2HD2 LEU 48 -3.040 3.119 -1.766 343 HD23 LEU 48 3HD2 LEU 48 -4.414 2.966 -0.669 344 H LYS 49 H LYS 49 -6.384 3.562 0.666 345 HA LYS 49 HA LYS 49 -8.750 4.897 1.529 346 HB2 LYS 49 1HB LYS 49 -8.987 2.616 -0.419 347 HB3 LYS 49 2HB LYS 49 -10.264 2.965 0.739 348 HG2 LYS 49 1HG LYS 49 -10.113 5.375 -0.231 349 HG3 LYS 49 2HG LYS 49 -9.336 4.570 -1.597 350 HD2 LYS 49 1HD LYS 49 -12.006 3.742 -0.471 351 HD3 LYS 49 2HD LYS 49 -11.821 4.877 -1.810 352 HE2 LYS 49 1HE LYS 49 -11.073 3.255 -3.257 353 HE3 LYS 49 2HE LYS 49 -10.451 2.234 -1.961 354 HZ1 LYS 49 1HZ LYS 49 -13.182 2.458 -3.003 355 HZ2 LYS 49 2HZ LYS 49 -12.976 2.064 -1.371 356 HZ3 LYS 49 3HZ LYS 49 -12.305 1.078 -2.570 357 H ASN 50 H ASN 50 -9.228 4.238 3.534 358 HA ASN 50 HA ASN 50 -7.643 2.521 4.989 359 HB2 ASN 50 1HB ASN 50 -10.550 3.189 5.503 360 HB3 ASN 50 2HB ASN 50 -9.425 2.536 6.691 361 HD21 ASN 50 1HD2 ASN 50 -7.420 3.856 7.015 362 HD22 ASN 50 2HD2 ASN 50 -7.609 5.573 7.050 363 H ASN 51 H ASN 51 -7.758 0.389 5.638 364 HA ASN 51 HA ASN 51 -8.341 -1.819 5.617 365 HB2 ASN 51 1HB ASN 51 -10.830 -1.147 4.061 366 HB3 ASN 51 2HB ASN 51 -10.558 -2.487 5.171 367 HD21 ASN 51 1HD2 ASN 51 -12.451 -0.061 4.952 368 HD22 ASN 51 2HD2 ASN 51 -12.470 0.561 6.564 369 H ASP 52 H ASP 52 -6.893 -0.405 3.464 370 HA ASP 52 HA ASP 52 -7.589 -1.809 1.033 371 HB2 ASP 52 1HB ASP 52 -5.626 0.289 1.807 372 HB3 ASP 52 2HB ASP 52 -5.235 -0.709 0.409 373 H LEU 53 H LEU 53 -6.895 -3.768 0.509 374 HA LEU 53 HA LEU 53 -4.758 -4.987 2.082 375 HB2 LEU 53 1HB LEU 53 -6.969 -6.119 1.721 376 HB3 LEU 53 2HB LEU 53 -6.533 -6.281 0.021 377 HG LEU 53 HG LEU 53 -4.502 -7.586 0.824 378 HD11 LEU 53 1HD1 LEU 53 -5.032 -8.731 3.073 379 HD12 LEU 53 2HD1 LEU 53 -6.040 -7.317 3.378 380 HD13 LEU 53 3HD1 LEU 53 -4.312 -7.121 3.089 381 HD21 LEU 53 1HD2 LEU 53 -6.430 -8.637 -0.234 382 HD22 LEU 53 2HD2 LEU 53 -7.258 -8.711 1.322 383 HD23 LEU 53 3HD2 LEU 53 -5.789 -9.653 1.057 384 H VAL 54 H VAL 54 -2.775 -4.616 1.322 385 HA VAL 54 HA VAL 54 -2.312 -4.408 -1.548 386 HB VAL 54 HB VAL 54 -0.308 -4.108 0.691 387 HG11 VAL 54 1HG1 VAL 54 -0.123 -2.899 -2.043 388 HG12 VAL 54 2HG1 VAL 54 1.161 -3.224 -0.877 389 HG13 VAL 54 3HG1 VAL 54 0.405 -4.556 -1.752 390 HG21 VAL 54 1HG2 VAL 54 -0.840 -1.914 0.940 391 HG22 VAL 54 2HG2 VAL 54 -1.393 -1.742 -0.726 392 HG23 VAL 54 3HG2 VAL 54 -2.432 -2.513 0.472 393 H VAL 55 H VAL 55 -1.926 -6.199 -2.662 394 HA VAL 55 HA VAL 55 -0.718 -8.506 -1.320 395 HB VAL 55 HB VAL 55 -1.343 -9.717 -3.447 396 HG11 VAL 55 1HG1 VAL 55 -3.420 -10.225 -2.629 397 HG12 VAL 55 2HG1 VAL 55 -2.727 -9.407 -1.227 398 HG13 VAL 55 3HG1 VAL 55 -3.825 -8.541 -2.302 399 HG21 VAL 55 1HG2 VAL 55 -2.955 -7.227 -3.988 400 HG22 VAL 55 2HG2 VAL 55 -1.477 -7.664 -4.847 401 HG23 VAL 55 3HG2 VAL 55 -2.903 -8.696 -4.963 402 H ALA 56 H ALA 56 -0.040 -6.059 -3.653 403 HA ALA 56 HA ALA 56 2.658 -7.126 -3.976 404 HB1 ALA 56 1HB ALA 56 1.872 -8.026 -5.939 405 HB2 ALA 56 2HB ALA 56 0.701 -6.731 -6.192 406 HB3 ALA 56 3HB ALA 56 2.415 -6.439 -6.487 407 H VAL 57 H VAL 57 4.223 -5.570 -4.329 408 HA VAL 57 HA VAL 57 3.313 -2.775 -4.462 409 HB VAL 57 HB VAL 57 5.480 -3.827 -2.637 410 HG11 VAL 57 1HG1 VAL 57 4.521 -1.053 -2.386 411 HG12 VAL 57 2HG1 VAL 57 6.149 -1.713 -2.220 412 HG13 VAL 57 3HG1 VAL 57 5.480 -1.403 -3.823 413 HG21 VAL 57 1HG2 VAL 57 2.915 -4.084 -2.109 414 HG22 VAL 57 2HG2 VAL 57 4.054 -3.586 -0.858 415 HG23 VAL 57 3HG2 VAL 57 3.060 -2.381 -1.677 416 H ASN 58 H ASN 58 4.167 -1.792 -6.161 417 HA ASN 58 HA ASN 58 5.601 -1.168 -7.812 418 HB2 ASN 58 1HB ASN 58 7.434 -2.116 -5.668 419 HB3 ASN 58 2HB ASN 58 8.119 -1.899 -7.276 420 HD21 ASN 58 1HD2 ASN 58 8.720 -0.424 -4.889 421 HD22 ASN 58 2HD2 ASN 58 8.326 1.228 -5.206 422 H GLY 59 H GLY 59 4.295 -3.807 -7.814 423 HA2 GLY 59 1HA GLY 59 4.192 -5.472 -9.426 424 HA3 GLY 59 2HA GLY 59 5.733 -4.911 -10.058 425 H LYS 60 H LYS 60 5.627 -5.517 -6.690 426 HA LYS 60 HA LYS 60 6.927 -8.130 -7.102 427 HB2 LYS 60 1HB LYS 60 7.637 -6.014 -5.061 428 HB3 LYS 60 2HB LYS 60 8.364 -7.613 -5.156 429 HG2 LYS 60 1HG LYS 60 8.450 -5.746 -7.494 430 HG3 LYS 60 2HG LYS 60 9.620 -5.620 -6.178 431 HD2 LYS 60 1HD LYS 60 10.457 -7.790 -6.585 432 HD3 LYS 60 2HD LYS 60 9.092 -8.204 -7.625 433 HE2 LYS 60 1HE LYS 60 10.821 -5.903 -8.387 434 HE3 LYS 60 2HE LYS 60 11.440 -7.536 -8.628 435 HZ1 LYS 60 1HZ LYS 60 9.334 -8.002 -9.860 436 HZ2 LYS 60 2HZ LYS 60 10.362 -6.892 -10.615 437 HZ3 LYS 60 3HZ LYS 60 8.987 -6.347 -9.794 438 H SER 61 H SER 61 6.024 -9.778 -6.057 439 HA SER 61 HA SER 61 3.675 -9.506 -4.547 440 HB2 SER 61 1HB SER 61 5.556 -11.876 -4.521 441 HB3 SER 61 2HB SER 61 3.831 -11.883 -4.153 442 HG SER 61 HG SER 61 5.131 -11.656 -6.626 443 H VAL 62 H VAL 62 3.669 -8.398 -2.687 444 HA VAL 62 HA VAL 62 5.831 -8.796 -0.756 445 HB VAL 62 HB VAL 62 5.078 -6.849 0.366 446 HG11 VAL 62 1HG1 VAL 62 5.929 -6.783 -2.217 447 HG12 VAL 62 2HG1 VAL 62 4.458 -5.812 -2.305 448 HG13 VAL 62 3HG1 VAL 62 5.744 -5.367 -1.183 449 HG21 VAL 62 1HG2 VAL 62 2.723 -7.230 0.457 450 HG22 VAL 62 2HG2 VAL 62 2.980 -5.672 -0.329 451 HG23 VAL 62 3HG2 VAL 62 2.576 -7.091 -1.295 452 H GLU 63 H GLU 63 2.407 -9.366 -1.202 453 HA GLU 63 HA GLU 63 1.412 -9.825 1.262 454 HB2 GLU 63 1HB GLU 63 -0.146 -11.300 0.316 455 HB3 GLU 63 2HB GLU 63 0.337 -10.271 -1.025 456 HG2 GLU 63 1HG GLU 63 2.054 -12.135 -1.527 457 HG3 GLU 63 2HG GLU 63 1.023 -13.129 -0.500 458 H ALA 64 H ALA 64 3.656 -11.925 -0.466 459 HA ALA 64 HA ALA 64 3.602 -14.073 1.371 460 HB1 ALA 64 1HB ALA 64 5.952 -14.490 0.312 461 HB2 ALA 64 2HB ALA 64 4.493 -14.679 -0.662 462 HB3 ALA 64 3HB ALA 64 5.460 -13.211 -0.799 463 H LEU 65 H LEU 65 5.677 -11.217 1.088 464 HA LEU 65 HA LEU 65 7.514 -11.858 3.095 465 HB2 LEU 65 1HB LEU 65 6.562 -9.316 1.860 466 HB3 LEU 65 2HB LEU 65 7.586 -9.240 3.293 467 HG LEU 65 HG LEU 65 8.396 -10.728 0.806 468 HD11 LEU 65 1HD1 LEU 65 8.178 -8.584 -0.048 469 HD12 LEU 65 2HD1 LEU 65 9.858 -8.625 0.486 470 HD13 LEU 65 3HD1 LEU 65 8.639 -7.821 1.474 471 HD21 LEU 65 1HD2 LEU 65 9.503 -11.174 3.032 472 HD22 LEU 65 2HD2 LEU 65 10.095 -9.514 2.973 473 HD23 LEU 65 3HD2 LEU 65 10.573 -10.666 1.725 474 H ASP 66 H ASP 66 7.660 -10.227 5.092 475 HA ASP 66 HA ASP 66 5.139 -10.579 6.570 476 HB2 ASP 66 1HB ASP 66 6.470 -10.666 8.600 477 HB3 ASP 66 2HB ASP 66 7.091 -11.838 7.441 478 H HIS 67 H HIS 67 5.022 -8.964 8.500 479 HA HIS 67 HA HIS 67 4.321 -6.509 7.723 480 HB2 HIS 67 1HB HIS 67 4.014 -7.149 10.011 481 HB3 HIS 67 2HB HIS 67 5.752 -7.242 10.280 482 HD1 HIS 67 1HD HIS 67 3.113 -5.193 11.202 483 HD2 HIS 67 2HD HIS 67 6.843 -4.400 9.552 484 HE1 HIS 67 1HE HIS 67 3.591 -2.786 11.748 485 HE2 HIS 67 2HE HIS 67 5.814 -2.304 10.666 486 H ASP 68 H ASP 68 7.633 -7.280 8.788 487 HA ASP 68 HA ASP 68 8.722 -4.750 8.220 488 HB2 ASP 68 1HB ASP 68 10.175 -7.402 8.195 489 HB3 ASP 68 2HB ASP 68 10.889 -5.810 8.435 490 H GLY 69 H GLY 69 9.135 -7.782 6.373 491 HA2 GLY 69 1HA GLY 69 10.444 -6.895 4.176 492 HA3 GLY 69 2HA GLY 69 9.181 -8.113 4.085 493 H VAL 70 H VAL 70 6.881 -6.927 4.374 494 HA VAL 70 HA VAL 70 6.360 -5.637 1.982 495 HB VAL 70 HB VAL 70 4.784 -5.437 4.553 496 HG11 VAL 70 1HG1 VAL 70 3.918 -3.729 3.247 497 HG12 VAL 70 2HG1 VAL 70 4.187 -4.607 1.740 498 HG13 VAL 70 3HG1 VAL 70 2.886 -5.095 2.826 499 HG21 VAL 70 1HG2 VAL 70 3.479 -7.274 3.704 500 HG22 VAL 70 2HG2 VAL 70 4.405 -7.290 2.203 501 HG23 VAL 70 3HG2 VAL 70 5.180 -7.742 3.721 502 H VAL 71 H VAL 71 6.565 -4.142 5.216 503 HA VAL 71 HA VAL 71 6.327 -1.486 4.315 504 HB VAL 71 HB VAL 71 7.709 -2.457 6.820 505 HG11 VAL 71 1HG1 VAL 71 6.796 -0.149 7.597 506 HG12 VAL 71 2HG1 VAL 71 8.289 -0.225 6.660 507 HG13 VAL 71 3HG1 VAL 71 6.775 0.219 5.873 508 HG21 VAL 71 1HG2 VAL 71 4.912 -1.449 6.811 509 HG22 VAL 71 2HG2 VAL 71 5.207 -3.096 6.255 510 HG23 VAL 71 3HG2 VAL 71 5.691 -2.615 7.882 511 H GLU 72 H GLU 72 8.912 -3.690 4.128 512 HA GLU 72 HA GLU 72 11.025 -1.731 4.110 513 HB2 GLU 72 1HB GLU 72 11.127 -4.276 4.722 514 HB3 GLU 72 2HB GLU 72 11.324 -4.493 2.988 515 HG2 GLU 72 1HG GLU 72 13.326 -3.207 2.975 516 HG3 GLU 72 2HG GLU 72 13.079 -2.703 4.646 517 H MET 73 H MET 73 9.235 -3.609 1.704 518 HA MET 73 HA MET 73 10.682 -2.905 -0.567 519 HB2 MET 73 1HB MET 73 7.733 -3.479 -0.252 520 HB3 MET 73 2HB MET 73 8.547 -3.344 -1.805 521 HG2 MET 73 1HG MET 73 9.550 -5.272 0.239 522 HG3 MET 73 2HG MET 73 8.145 -5.675 -0.745 523 HE1 MET 73 1HE MET 73 8.722 -7.467 -1.697 524 HE2 MET 73 2HE MET 73 9.250 -7.348 -3.375 525 HE3 MET 73 3HE MET 73 10.357 -7.954 -2.143 526 H ILE 74 H ILE 74 8.028 -1.219 1.052 527 HA ILE 74 HA ILE 74 7.553 0.784 -0.813 528 HB ILE 74 HB ILE 74 7.377 0.884 2.197 529 HG12 ILE 74 1HG1 ILE 74 5.046 0.865 0.324 530 HG13 ILE 74 2HG1 ILE 74 5.903 -0.642 0.624 531 HG21 ILE 74 1HG2 ILE 74 7.174 3.092 2.010 532 HG22 ILE 74 2HG2 ILE 74 7.143 3.010 0.249 533 HG23 ILE 74 3HG2 ILE 74 5.653 2.795 1.168 534 HD11 ILE 74 1HD1 ILE 74 5.115 0.937 2.992 535 HD12 ILE 74 2HD1 ILE 74 3.827 0.155 2.076 536 HD13 ILE 74 3HD1 ILE 74 5.144 -0.808 2.744 537 H ARG 75 H ARG 75 9.877 0.737 1.874 538 HA ARG 75 HA ARG 75 10.915 3.333 1.308 539 HB2 ARG 75 1HB ARG 75 12.123 1.077 2.919 540 HB3 ARG 75 2HB ARG 75 12.673 2.747 2.924 541 HG2 ARG 75 1HG ARG 75 10.693 3.493 3.984 542 HG3 ARG 75 2HG ARG 75 9.893 1.941 3.727 543 HD2 ARG 75 1HD ARG 75 10.533 1.914 5.981 544 HD3 ARG 75 2HD ARG 75 11.750 0.938 5.157 545 HE ARG 75 HE ARG 75 13.322 2.457 5.805 546 HH11 ARG 75 2HH1 ARG 75 10.189 3.968 5.955 547 HH12 ARG 75 1HH1 ARG 75 10.785 5.432 6.664 548 HH21 ARG 75 2HH2 ARG 75 14.119 4.379 6.738 549 HH22 ARG 75 1HH2 ARG 75 13.021 5.665 7.109 550 H LYS 76 H LYS 76 11.661 0.096 0.256 551 HA LYS 76 HA LYS 76 14.245 0.643 -0.792 552 HB2 LYS 76 1HB LYS 76 12.238 -1.552 -1.224 553 HB3 LYS 76 2HB LYS 76 13.715 -1.479 -2.175 554 HG2 LYS 76 1HG LYS 76 14.868 -1.312 0.161 555 HG3 LYS 76 2HG LYS 76 13.357 -2.022 0.733 556 HD2 LYS 76 1HD LYS 76 14.980 -3.199 -1.515 557 HD3 LYS 76 2HD LYS 76 15.204 -3.654 0.176 558 HE2 LYS 76 1HE LYS 76 12.474 -3.745 -1.034 559 HE3 LYS 76 2HE LYS 76 13.618 -5.043 -1.370 560 HZ1 LYS 76 1HZ LYS 76 12.164 -5.486 0.553 561 HZ2 LYS 76 2HZ LYS 76 12.842 -4.161 1.356 562 HZ3 LYS 76 3HZ LYS 76 13.807 -5.493 0.960 563 H GLY 77 H GLY 77 11.346 1.873 -1.691 564 HA2 GLY 77 1HA GLY 77 11.965 1.887 -4.567 565 HA3 GLY 77 2HA GLY 77 10.416 2.311 -3.853 566 H GLY 78 H GLY 78 13.500 3.488 -2.659 567 HA2 GLY 78 1HA GLY 78 14.395 5.601 -2.571 568 HA3 GLY 78 2HA GLY 78 13.575 5.913 -4.094 569 H ASP 79 H ASP 79 12.080 7.448 -4.074 570 HA ASP 79 HA ASP 79 11.020 8.319 -1.477 571 HB2 ASP 79 1HB ASP 79 12.272 9.913 -3.074 572 HB3 ASP 79 2HB ASP 79 10.803 9.873 -4.045 573 H GLN 80 H GLN 80 10.020 7.622 -4.809 574 HA GLN 80 HA GLN 80 7.228 7.512 -3.907 575 HB2 GLN 80 1HB GLN 80 6.578 7.771 -6.189 576 HB3 GLN 80 2HB GLN 80 7.831 8.962 -5.867 577 HG2 GLN 80 1HG GLN 80 9.473 7.344 -6.871 578 HG3 GLN 80 2HG GLN 80 8.087 6.384 -7.387 579 HE21 GLN 80 1HE2 GLN 80 6.753 7.154 -9.010 580 HE22 GLN 80 2HE2 GLN 80 7.205 8.468 -10.036 581 H THR 81 H THR 81 5.880 5.751 -4.614 582 HA THR 81 HA THR 81 7.094 3.374 -5.694 583 HB THR 81 HB THR 81 7.790 3.174 -3.351 584 HG1 THR 81 1HG THR 81 5.670 1.367 -3.960 585 HG21 THR 81 1HG2 THR 81 4.841 3.168 -2.695 586 HG22 THR 81 2HG2 THR 81 5.943 4.508 -2.373 587 HG23 THR 81 3HG2 THR 81 6.175 2.960 -1.561 588 H THR 82 H THR 82 5.598 1.927 -6.485 589 HA THR 82 HA THR 82 2.831 2.881 -6.498 590 HB THR 82 HB THR 82 4.112 0.762 -8.235 591 HG1 THR 82 1HG THR 82 3.686 3.547 -8.607 592 HG21 THR 82 1HG2 THR 82 2.144 0.938 -9.607 593 HG22 THR 82 2HG2 THR 82 1.509 2.245 -8.608 594 HG23 THR 82 3HG2 THR 82 1.636 0.614 -7.950 595 H LEU 83 H LEU 83 1.192 1.795 -5.582 596 HA LEU 83 HA LEU 83 1.808 -0.811 -4.355 597 HB2 LEU 83 1HB LEU 83 -0.505 0.819 -3.452 598 HB3 LEU 83 2HB LEU 83 0.526 -0.279 -2.538 599 HG LEU 83 HG LEU 83 1.186 2.541 -3.381 600 HD11 LEU 83 1HD1 LEU 83 1.464 2.494 -0.723 601 HD12 LEU 83 2HD1 LEU 83 0.206 1.271 -0.900 602 HD13 LEU 83 3HD1 LEU 83 -0.054 2.899 -1.525 603 HD21 LEU 83 1HD2 LEU 83 3.227 2.126 -1.937 604 HD22 LEU 83 2HD2 LEU 83 3.218 1.357 -3.524 605 HD23 LEU 83 3HD2 LEU 83 2.858 0.407 -2.082 606 H LEU 84 H LEU 84 0.123 -2.402 -4.293 607 HA LEU 84 HA LEU 84 -1.976 -2.028 -6.321 608 HB2 LEU 84 1HB LEU 84 -0.162 -3.357 -7.270 609 HB3 LEU 84 2HB LEU 84 -0.273 -4.485 -5.920 610 HG LEU 84 HG LEU 84 -2.519 -5.140 -6.668 611 HD11 LEU 84 1HD1 LEU 84 -3.528 -3.446 -7.800 612 HD12 LEU 84 2HD1 LEU 84 -2.921 -4.371 -9.172 613 HD13 LEU 84 3HD1 LEU 84 -2.043 -2.949 -8.610 614 HD21 LEU 84 1HD2 LEU 84 -1.636 -5.967 -9.045 615 HD22 LEU 84 2HD2 LEU 84 -1.075 -6.663 -7.525 616 HD23 LEU 84 3HD2 LEU 84 -0.102 -5.444 -8.350 617 H VAL 85 H VAL 85 -3.681 -1.814 -4.953 618 HA VAL 85 HA VAL 85 -4.119 -3.962 -2.985 619 HB VAL 85 HB VAL 85 -5.333 -2.507 -1.636 620 HG11 VAL 85 1HG1 VAL 85 -3.752 -1.011 -1.020 621 HG12 VAL 85 2HG1 VAL 85 -2.791 -1.875 -2.222 622 HG13 VAL 85 3HG1 VAL 85 -3.581 -0.356 -2.648 623 HG21 VAL 85 1HG2 VAL 85 -6.875 -1.620 -3.233 624 HG22 VAL 85 2HG2 VAL 85 -6.106 -0.260 -2.415 625 HG23 VAL 85 3HG2 VAL 85 -5.598 -0.712 -4.042 626 H LEU 86 H LEU 86 -6.303 -4.737 -2.707 627 HA LEU 86 HA LEU 86 -7.763 -4.773 -5.250 628 HB2 LEU 86 1HB LEU 86 -7.434 -6.670 -2.996 629 HB3 LEU 86 2HB LEU 86 -8.978 -6.687 -3.846 630 HG LEU 86 HG LEU 86 -7.259 -8.371 -4.611 631 HD11 LEU 86 1HD1 LEU 86 -7.883 -8.185 -6.895 632 HD12 LEU 86 2HD1 LEU 86 -8.157 -6.449 -6.746 633 HD13 LEU 86 3HD1 LEU 86 -9.236 -7.584 -5.936 634 HD21 LEU 86 1HD2 LEU 86 -5.589 -6.165 -4.654 635 HD22 LEU 86 2HD2 LEU 86 -5.930 -6.475 -6.357 636 HD23 LEU 86 3HD2 LEU 86 -5.250 -7.752 -5.346 637 H ASP 87 H ASP 87 -9.976 -4.391 -5.358 638 HA ASP 87 HA ASP 87 -11.040 -2.822 -3.119 639 HB2 ASP 87 1HB ASP 87 -10.880 -1.911 -5.528 640 HB3 ASP 87 2HB ASP 87 -12.252 -2.963 -5.870 641 H LYS 88 H LYS 88 -12.183 -5.190 -5.528 642 HA LYS 88 HA LYS 88 -14.604 -5.765 -4.195 643 HB2 LYS 88 1HB LYS 88 -13.839 -6.272 -6.642 644 HB3 LYS 88 2HB LYS 88 -13.226 -7.769 -5.950 645 HG2 LYS 88 1HG LYS 88 -15.342 -8.332 -6.721 646 HG3 LYS 88 2HG LYS 88 -15.584 -8.067 -4.993 647 HD2 LYS 88 1HD LYS 88 -16.336 -5.757 -5.506 648 HD3 LYS 88 2HD LYS 88 -16.205 -6.134 -7.226 649 HE2 LYS 88 1HE LYS 88 -17.866 -7.896 -6.981 650 HE3 LYS 88 2HE LYS 88 -17.966 -7.581 -5.249 651 HZ1 LYS 88 1HZ LYS 88 -18.717 -5.306 -5.809 652 HZ2 LYS 88 2HZ LYS 88 -19.786 -6.510 -6.327 653 HZ3 LYS 88 3HZ LYS 88 -18.766 -5.747 -7.441 654 H GLU 89 H GLU 89 -11.447 -7.383 -4.194 655 HA GLU 89 HA GLU 89 -12.363 -9.300 -2.209 656 HB2 GLU 89 1HB GLU 89 -9.636 -8.953 -3.469 657 HB3 GLU 89 2HB GLU 89 -10.132 -10.292 -2.443 658 HG2 GLU 89 1HG GLU 89 -11.021 -9.638 -5.227 659 HG3 GLU 89 2HG GLU 89 -10.267 -11.113 -4.624 660 H ALA 90 H ALA 90 -12.393 -6.593 -1.379 661 HA ALA 90 HA ALA 90 -10.092 -6.333 0.410 662 HB1 ALA 90 1HB ALA 90 -10.768 -4.080 0.766 663 HB2 ALA 90 2HB ALA 90 -10.882 -4.393 -0.967 664 HB3 ALA 90 3HB ALA 90 -12.342 -4.370 0.024 665 H GLU 91 H GLU 91 -13.635 -6.497 0.514 666 HA GLU 91 HA GLU 91 -13.719 -6.498 3.386 667 HB2 GLU 91 1HB GLU 91 -15.540 -5.702 1.723 668 HB3 GLU 91 2HB GLU 91 -15.971 -7.403 1.613 669 HG2 GLU 91 1HG GLU 91 -16.277 -7.429 4.074 670 HG3 GLU 91 2HG GLU 91 -15.988 -5.691 4.086 671 H SER 92 H SER 92 -12.539 -8.219 4.151 672 HA SER 92 HA SER 92 -13.612 -10.889 3.511 673 HB2 SER 92 1HB SER 92 -11.438 -11.842 3.677 674 HB3 SER 92 2HB SER 92 -11.258 -10.409 2.664 675 HG SER 92 HG SER 92 -10.743 -10.490 5.455 676 H ILE 93 H ILE 93 -14.800 -9.474 5.489 677 HA ILE 93 HA ILE 93 -13.603 -10.337 8.017 678 HB ILE 93 HB ILE 93 -16.098 -8.683 7.648 679 HG12 ILE 93 1HG1 ILE 93 -14.351 -6.838 8.396 680 HG13 ILE 93 2HG1 ILE 93 -13.207 -7.929 7.622 681 HG21 ILE 93 1HG2 ILE 93 -14.294 -8.611 10.025 682 HG22 ILE 93 2HG2 ILE 93 -16.015 -8.248 9.909 683 HG23 ILE 93 3HG2 ILE 93 -15.462 -9.921 9.852 684 HD11 ILE 93 1HD1 ILE 93 -14.209 -7.668 5.527 685 HD12 ILE 93 2HD1 ILE 93 -15.673 -6.967 6.219 686 HD13 ILE 93 3HD1 ILE 93 -14.168 -6.047 6.219 687 H TYR 94 H TYR 94 -14.347 -12.012 9.155 688 HA TYR 94 HA TYR 94 -17.011 -13.083 8.528 689 HB2 TYR 94 1HB TYR 94 -14.531 -14.774 8.903 690 HB3 TYR 94 2HB TYR 94 -16.156 -15.362 8.569 691 HD1 TYR 94 1HD TYR 94 -13.731 -12.922 7.091 692 HD2 TYR 94 2HD TYR 94 -16.567 -16.018 6.403 693 HE1 TYR 94 1HE TYR 94 -13.272 -12.798 4.677 694 HE2 TYR 94 2HE TYR 94 -16.116 -15.903 3.988 695 HH TYR 94 HH TYR 94 -13.465 -14.227 2.691 696 H SER 95 H SER 95 -17.819 -14.579 10.215 697 HA SER 95 HA SER 95 -16.585 -14.476 12.817 698 HB2 SER 95 1HB SER 95 -17.848 -12.259 12.496 699 HB3 SER 95 2HB SER 95 -19.319 -13.226 12.589 700 HG SER 95 HG SER 95 -18.027 -12.257 14.594 701 H LEU 96 H LEU 96 -18.221 -15.439 14.491 702 HA LEU 96 HA LEU 96 -20.068 -17.347 13.315 703 HB2 LEU 96 1HB LEU 96 -17.949 -18.527 13.212 704 HB3 LEU 96 2HB LEU 96 -17.663 -18.202 14.921 705 HG LEU 96 HG LEU 96 -19.633 -19.614 15.465 706 HD11 LEU 96 1HD1 LEU 96 -19.736 -19.788 12.502 707 HD12 LEU 96 2HD1 LEU 96 -21.046 -19.717 13.680 708 HD13 LEU 96 3HD1 LEU 96 -20.160 -21.222 13.438 709 HD21 LEU 96 1HD2 LEU 96 -17.795 -21.267 13.793 710 HD22 LEU 96 2HD2 LEU 96 -18.435 -21.578 15.407 711 HD23 LEU 96 3HD2 LEU 96 -17.154 -20.386 15.180 712 H SER 97 H SER 97 -21.801 -17.571 14.572 713 HA SER 97 HA SER 97 -21.620 -16.623 17.351 714 HB2 SER 97 1HB SER 97 -23.948 -16.753 15.428 715 HB3 SER 97 2HB SER 97 -24.138 -16.398 17.145 716 HG SER 97 HG SER 97 -23.965 -14.489 15.912 717 H GLY 98 H GLY 98 -22.815 -17.751 18.994 718 HA2 GLY 98 1HA GLY 98 -23.261 -20.598 18.336 719 HA3 GLY 98 2HA GLY 98 -22.487 -20.079 19.826 720 HA PRO 99 HA PRO 99 -27.234 -20.427 20.173 721 HB2 PRO 99 1HB PRO 99 -27.383 -22.814 21.457 722 HB3 PRO 99 2HB PRO 99 -27.446 -22.664 19.697 723 HG2 PRO 99 1HG PRO 99 -25.135 -23.391 21.455 724 HG3 PRO 99 2HG PRO 99 -25.640 -24.114 19.917 725 HD2 PRO 99 1HD PRO 99 -23.607 -22.334 20.092 726 HD3 PRO 99 2HD PRO 99 -24.659 -22.444 18.666 727 H SER 100 H SER 100 -27.353 -18.867 21.720 728 HA SER 100 HA SER 100 -25.953 -18.813 24.140 729 HB2 SER 100 1HB SER 100 -28.399 -17.439 23.101 730 HB3 SER 100 2HB SER 100 -28.010 -17.299 24.816 731 HG SER 100 HG SER 100 -27.005 -15.626 23.750 732 H SER 101 H SER 101 -29.237 -19.956 23.419 733 HA SER 101 HA SER 101 -30.038 -20.615 25.994 734 HB2 SER 101 1HB SER 101 -31.588 -20.642 24.112 735 HB3 SER 101 2HB SER 101 -30.726 -22.000 23.390 736 HG SER 101 HG SER 101 -31.265 -22.883 25.712 737 H GLY 102 H GLY 102 -29.098 -23.096 23.617 738 HA2 GLY 102 1HA GLY 102 -27.766 -24.539 25.828 739 HA3 GLY 102 2HA GLY 102 -28.680 -25.348 24.563 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -4.690 3.218 -18.680 2 HA2 GLY 1 1HA GLY 1 -4.157 0.448 -17.951 3 HA3 GLY 1 2HA GLY 1 -4.469 1.551 -16.619 4 H SER 2 H SER 2 -5.987 -0.793 -17.621 5 HA SER 2 HA SER 2 -8.306 -0.052 -18.976 6 HB2 SER 2 1HB SER 2 -9.311 -2.077 -18.048 7 HB3 SER 2 2HB SER 2 -7.647 -2.396 -18.537 8 HG SER 2 HG SER 2 -8.555 -1.870 -15.898 9 H SER 3 H SER 3 -10.368 0.553 -18.300 10 HA SER 3 HA SER 3 -10.440 2.319 -16.062 11 HB2 SER 3 1HB SER 3 -11.756 2.465 -18.293 12 HB3 SER 3 2HB SER 3 -12.891 1.359 -17.520 13 HG SER 3 HG SER 3 -13.696 3.117 -16.700 14 H GLY 4 H GLY 4 -10.119 1.193 -14.168 15 HA2 GLY 4 1HA GLY 4 -10.830 0.102 -12.270 16 HA3 GLY 4 2HA GLY 4 -12.418 -0.030 -13.012 17 H SER 5 H SER 5 -9.977 -1.793 -11.771 18 HA SER 5 HA SER 5 -10.918 -4.211 -13.055 19 HB2 SER 5 1HB SER 5 -8.692 -4.986 -13.720 20 HB3 SER 5 2HB SER 5 -9.090 -3.481 -14.549 21 HG SER 5 HG SER 5 -7.924 -2.606 -12.495 22 H SER 6 H SER 6 -9.662 -6.159 -12.085 23 HA SER 6 HA SER 6 -10.045 -6.103 -9.295 24 HB2 SER 6 1HB SER 6 -8.484 -8.137 -10.905 25 HB3 SER 6 2HB SER 6 -9.176 -8.377 -9.300 26 HG SER 6 HG SER 6 -10.459 -9.207 -11.078 27 H GLY 7 H GLY 7 -8.721 -4.253 -8.711 28 HA2 GLY 7 1HA GLY 7 -6.784 -4.161 -7.169 29 HA3 GLY 7 2HA GLY 7 -5.872 -4.990 -8.421 30 H ARG 8 H ARG 8 -6.873 -1.981 -7.181 31 HA ARG 8 HA ARG 8 -6.261 -0.489 -9.588 32 HB2 ARG 8 1HB ARG 8 -6.801 1.486 -8.266 33 HB3 ARG 8 2HB ARG 8 -8.057 0.268 -8.090 34 HG2 ARG 8 1HG ARG 8 -7.138 -0.382 -5.928 35 HG3 ARG 8 2HG ARG 8 -5.860 0.821 -6.107 36 HD2 ARG 8 1HD ARG 8 -7.576 1.728 -4.695 37 HD3 ARG 8 2HD ARG 8 -7.608 2.579 -6.239 38 HE ARG 8 HE ARG 8 -9.647 0.823 -5.167 39 HH11 ARG 8 2HH1 ARG 8 -8.388 2.482 -7.957 40 HH12 ARG 8 1HH1 ARG 8 -9.889 2.440 -8.821 41 HH21 ARG 8 2HH2 ARG 8 -11.629 0.761 -6.295 42 HH22 ARG 8 1HH2 ARG 8 -11.732 1.462 -7.875 43 H VAL 9 H VAL 9 -4.611 1.154 -9.670 44 HA VAL 9 HA VAL 9 -2.204 0.340 -8.204 45 HB VAL 9 HB VAL 9 -2.510 2.001 -10.709 46 HG11 VAL 9 1HG1 VAL 9 -0.613 2.851 -9.569 47 HG12 VAL 9 2HG1 VAL 9 -0.062 1.232 -9.134 48 HG13 VAL 9 3HG1 VAL 9 -0.003 1.764 -10.815 49 HG21 VAL 9 1HG2 VAL 9 -2.096 -0.848 -10.171 50 HG22 VAL 9 2HG2 VAL 9 -2.701 -0.043 -11.619 51 HG23 VAL 9 3HG2 VAL 9 -0.964 -0.157 -11.333 52 H VAL 10 H VAL 10 -1.097 1.699 -6.891 53 HA VAL 10 HA VAL 10 -2.122 4.448 -6.608 54 HB VAL 10 HB VAL 10 -1.131 2.728 -4.333 55 HG11 VAL 10 1HG1 VAL 10 -0.831 4.813 -3.503 56 HG12 VAL 10 2HG1 VAL 10 -1.996 5.542 -4.610 57 HG13 VAL 10 3HG1 VAL 10 -2.559 4.677 -3.180 58 HG21 VAL 10 1HG2 VAL 10 -3.176 1.896 -4.030 59 HG22 VAL 10 2HG2 VAL 10 -3.930 3.476 -4.243 60 HG23 VAL 10 3HG2 VAL 10 -3.558 2.480 -5.650 61 H VAL 11 H VAL 11 -0.618 6.045 -6.020 62 HA VAL 11 HA VAL 11 2.206 5.276 -5.953 63 HB VAL 11 HB VAL 11 1.074 7.326 -7.862 64 HG11 VAL 11 1HG1 VAL 11 3.442 7.555 -8.609 65 HG12 VAL 11 2HG1 VAL 11 3.138 8.163 -6.980 66 HG13 VAL 11 3HG1 VAL 11 3.925 6.601 -7.207 67 HG21 VAL 11 1HG2 VAL 11 2.785 5.145 -8.840 68 HG22 VAL 11 2HG2 VAL 11 1.207 4.645 -8.232 69 HG23 VAL 11 3HG2 VAL 11 1.316 5.833 -9.531 70 H ILE 12 H ILE 12 3.129 6.227 -4.271 71 HA ILE 12 HA ILE 12 2.197 8.903 -3.470 72 HB ILE 12 HB ILE 12 3.059 6.722 -1.568 73 HG12 ILE 12 1HG1 ILE 12 0.284 7.826 -1.647 74 HG13 ILE 12 2HG1 ILE 12 0.740 6.621 -2.846 75 HG21 ILE 12 1HG2 ILE 12 2.146 8.302 0.141 76 HG22 ILE 12 2HG2 ILE 12 3.596 8.872 -0.683 77 HG23 ILE 12 3HG2 ILE 12 2.017 9.514 -1.133 78 HD11 ILE 12 1HD1 ILE 12 1.168 5.000 -1.187 79 HD12 ILE 12 2HD1 ILE 12 1.095 6.200 0.104 80 HD13 ILE 12 3HD1 ILE 12 -0.371 5.753 -0.768 81 H LYS 13 H LYS 13 3.772 10.221 -2.383 82 HA LYS 13 HA LYS 13 6.560 9.364 -2.710 83 HB2 LYS 13 1HB LYS 13 5.829 12.178 -3.402 84 HB3 LYS 13 2HB LYS 13 7.196 11.213 -3.946 85 HG2 LYS 13 1HG LYS 13 5.682 9.884 -5.348 86 HG3 LYS 13 2HG LYS 13 4.333 10.897 -4.827 87 HD2 LYS 13 1HD LYS 13 6.730 12.234 -5.972 88 HD3 LYS 13 2HD LYS 13 5.653 11.373 -7.074 89 HE2 LYS 13 1HE LYS 13 4.666 13.430 -7.106 90 HE3 LYS 13 2HE LYS 13 3.804 12.712 -5.745 91 HZ1 LYS 13 1HZ LYS 13 4.619 14.250 -4.396 92 HZ2 LYS 13 2HZ LYS 13 5.272 15.045 -5.738 93 HZ3 LYS 13 3HZ LYS 13 6.211 13.933 -4.876 94 H LYS 14 H LYS 14 7.592 9.578 -0.847 95 HA LYS 14 HA LYS 14 6.746 10.440 1.527 96 HB2 LYS 14 1HB LYS 14 9.124 9.612 0.702 97 HB3 LYS 14 2HB LYS 14 9.505 11.326 0.807 98 HG2 LYS 14 1HG LYS 14 9.074 11.385 3.122 99 HG3 LYS 14 2HG LYS 14 8.286 9.806 3.092 100 HD2 LYS 14 1HD LYS 14 11.169 10.146 2.320 101 HD3 LYS 14 2HD LYS 14 10.679 9.932 4.002 102 HE2 LYS 14 1HE LYS 14 9.820 8.036 1.835 103 HE3 LYS 14 2HE LYS 14 11.349 7.843 2.691 104 HZ1 LYS 14 1HZ LYS 14 8.605 7.685 3.781 105 HZ2 LYS 14 2HZ LYS 14 9.943 7.931 4.786 106 HZ3 LYS 14 3HZ LYS 14 9.836 6.525 3.852 107 H GLY 15 H GLY 15 6.525 12.315 2.707 108 HA2 GLY 15 1HA GLY 15 7.076 14.854 1.328 109 HA3 GLY 15 2HA GLY 15 5.458 14.544 1.940 110 H SER 16 H SER 16 5.246 15.956 3.572 111 HA SER 16 HA SER 16 7.360 16.709 5.309 112 HB2 SER 16 1HB SER 16 5.609 17.857 6.605 113 HB3 SER 16 2HB SER 16 5.440 18.180 4.880 114 HG SER 16 HG SER 16 3.833 16.503 4.852 115 H ASN 17 H ASN 17 4.501 14.642 5.793 116 HA ASN 17 HA ASN 17 5.838 13.495 8.153 117 HB2 ASN 17 1HB ASN 17 2.944 13.969 7.512 118 HB3 ASN 17 2HB ASN 17 3.400 12.710 8.656 119 HD21 ASN 17 1HD2 ASN 17 1.881 15.085 9.172 120 HD22 ASN 17 2HD2 ASN 17 2.758 16.000 10.346 121 H GLY 18 H GLY 18 7.025 12.103 6.660 122 HA2 GLY 18 1HA GLY 18 7.374 10.124 5.544 123 HA3 GLY 18 2HA GLY 18 6.083 9.509 6.564 124 H TYR 19 H TYR 19 4.772 8.367 5.295 125 HA TYR 19 HA TYR 19 4.171 9.335 2.603 126 HB2 TYR 19 1HB TYR 19 3.740 6.694 3.989 127 HB3 TYR 19 2HB TYR 19 3.000 7.064 2.435 128 HD1 TYR 19 1HD TYR 19 6.166 6.425 4.184 129 HD2 TYR 19 2HD TYR 19 4.323 7.159 0.420 130 HE1 TYR 19 1HE TYR 19 8.226 5.714 3.043 131 HE2 TYR 19 2HE TYR 19 6.377 6.448 -0.731 132 HH TYR 19 HH TYR 19 8.380 4.906 -0.139 133 H GLY 20 H GLY 20 2.448 8.189 5.504 134 HA2 GLY 20 1HA GLY 20 0.611 9.757 6.210 135 HA3 GLY 20 2HA GLY 20 0.073 9.659 4.540 136 H PHE 21 H PHE 21 0.929 6.718 4.634 137 HA PHE 21 HA PHE 21 -1.523 5.755 5.951 138 HB2 PHE 21 1HB PHE 21 -1.715 4.070 4.299 139 HB3 PHE 21 2HB PHE 21 -1.308 5.539 3.418 140 HD1 PHE 21 1HD PHE 21 0.907 5.828 2.439 141 HD2 PHE 21 2HD PHE 21 -0.196 2.224 4.415 142 HE1 PHE 21 1HE PHE 21 2.827 4.682 1.412 143 HE2 PHE 21 2HE PHE 21 1.722 1.072 3.393 144 HZ PHE 21 HZ PHE 21 3.237 2.301 1.889 145 H TYR 22 H TYR 22 -1.352 3.333 6.512 146 HA TYR 22 HA TYR 22 1.308 2.714 7.600 147 HB2 TYR 22 1HB TYR 22 -1.325 2.686 9.070 148 HB3 TYR 22 2HB TYR 22 0.080 1.791 9.638 149 HD1 TYR 22 1HD TYR 22 -1.335 5.135 9.090 150 HD2 TYR 22 2HD TYR 22 1.976 2.931 10.601 151 HE1 TYR 22 1HE TYR 22 -0.513 7.158 10.223 152 HE2 TYR 22 2HE TYR 22 2.806 4.947 11.739 153 HH TYR 22 HH TYR 22 2.043 7.061 12.530 154 H LEU 23 H LEU 23 1.261 0.363 8.505 155 HA LEU 23 HA LEU 23 -0.401 -1.379 6.838 156 HB2 LEU 23 1HB LEU 23 2.604 -1.480 7.016 157 HB3 LEU 23 2HB LEU 23 1.612 -2.773 6.346 158 HG LEU 23 HG LEU 23 1.711 0.030 5.239 159 HD11 LEU 23 1HD1 LEU 23 3.112 -0.881 3.473 160 HD12 LEU 23 2HD1 LEU 23 3.128 -2.451 4.276 161 HD13 LEU 23 3HD1 LEU 23 3.893 -1.059 5.044 162 HD21 LEU 23 1HD2 LEU 23 0.929 -2.042 3.417 163 HD22 LEU 23 2HD2 LEU 23 0.049 -0.594 3.907 164 HD23 LEU 23 3HD2 LEU 23 -0.098 -2.078 4.850 165 H ARG 24 H ARG 24 -0.769 -3.435 7.685 166 HA ARG 24 HA ARG 24 0.493 -4.207 10.178 167 HB2 ARG 24 1HB ARG 24 -1.447 -2.675 10.755 168 HB3 ARG 24 2HB ARG 24 -2.508 -3.913 10.097 169 HG2 ARG 24 1HG ARG 24 -1.784 -5.491 11.758 170 HG3 ARG 24 2HG ARG 24 -0.574 -4.357 12.360 171 HD2 ARG 24 1HD ARG 24 -2.398 -2.796 12.961 172 HD3 ARG 24 2HD ARG 24 -3.569 -4.011 12.447 173 HE ARG 24 HE ARG 24 -2.090 -3.964 14.904 174 HH11 ARG 24 2HH1 ARG 24 -3.701 -6.005 12.589 175 HH12 ARG 24 1HH1 ARG 24 -4.011 -7.274 13.727 176 HH21 ARG 24 2HH2 ARG 24 -2.493 -5.627 16.412 177 HH22 ARG 24 1HH2 ARG 24 -3.324 -7.058 15.902 178 H ALA 25 H ALA 25 0.405 -6.392 10.562 179 HA ALA 25 HA ALA 25 -0.075 -8.094 8.372 180 HB1 ALA 25 1HB ALA 25 0.066 -9.883 10.299 181 HB2 ALA 25 2HB ALA 25 1.491 -8.976 9.787 182 HB3 ALA 25 3HB ALA 25 0.613 -8.494 11.239 183 H GLY 26 H GLY 26 -2.051 -8.425 7.559 184 HA2 GLY 26 1HA GLY 26 -4.420 -8.345 9.179 185 HA3 GLY 26 2HA GLY 26 -4.338 -8.738 7.468 186 HA PRO 27 HA PRO 27 -5.412 -12.586 9.844 187 HB2 PRO 27 1HB PRO 27 -7.511 -13.271 8.264 188 HB3 PRO 27 2HB PRO 27 -7.667 -12.190 9.654 189 HG2 PRO 27 1HG PRO 27 -7.436 -11.515 6.747 190 HG3 PRO 27 2HG PRO 27 -8.506 -10.816 7.976 191 HD2 PRO 27 1HD PRO 27 -6.229 -9.597 7.163 192 HD3 PRO 27 2HD PRO 27 -6.852 -9.449 8.818 193 H GLU 28 H GLU 28 -6.160 -14.767 8.520 194 HA GLU 28 HA GLU 28 -4.022 -15.925 7.430 195 HB2 GLU 28 1HB GLU 28 -5.503 -17.405 6.132 196 HB3 GLU 28 2HB GLU 28 -6.105 -17.132 7.760 197 HG2 GLU 28 1HG GLU 28 -7.584 -15.336 6.760 198 HG3 GLU 28 2HG GLU 28 -7.132 -15.986 5.185 199 H GLN 29 H GLN 29 -6.315 -13.951 5.575 200 HA GLN 29 HA GLN 29 -5.385 -14.232 3.032 201 HB2 GLN 29 1HB GLN 29 -6.340 -11.748 4.449 202 HB3 GLN 29 2HB GLN 29 -6.004 -11.783 2.723 203 HG2 GLN 29 1HG GLN 29 -8.140 -13.224 4.247 204 HG3 GLN 29 2HG GLN 29 -8.304 -12.111 2.890 205 HE21 GLN 29 1HE2 GLN 29 -7.620 -12.843 0.798 206 HE22 GLN 29 2HE2 GLN 29 -7.669 -14.527 0.415 207 H LYS 30 H LYS 30 -3.667 -13.594 1.839 208 HA LYS 30 HA LYS 30 -1.337 -12.652 3.273 209 HB2 LYS 30 1HB LYS 30 -1.707 -13.409 0.369 210 HB3 LYS 30 2HB LYS 30 -0.165 -13.026 1.123 211 HG2 LYS 30 1HG LYS 30 -0.084 -15.287 1.254 212 HG3 LYS 30 2HG LYS 30 -0.912 -14.952 2.777 213 HD2 LYS 30 1HD LYS 30 -3.059 -15.391 1.738 214 HD3 LYS 30 2HD LYS 30 -2.279 -15.631 0.173 215 HE2 LYS 30 1HE LYS 30 -0.910 -17.441 1.489 216 HE3 LYS 30 2HE LYS 30 -2.290 -17.386 2.586 217 HZ1 LYS 30 1HZ LYS 30 -3.133 -18.893 1.182 218 HZ2 LYS 30 2HZ LYS 30 -2.100 -18.469 -0.088 219 HZ3 LYS 30 3HZ LYS 30 -3.498 -17.563 0.203 220 H GLY 31 H GLY 31 -0.405 -10.678 3.134 221 HA2 GLY 31 1HA GLY 31 -0.043 -8.725 1.577 222 HA3 GLY 31 2HA GLY 31 -1.795 -8.687 1.452 223 H GLN 32 H GLN 32 -0.375 -6.457 2.236 224 HA GLN 32 HA GLN 32 -0.691 -6.317 5.146 225 HB2 GLN 32 1HB GLN 32 0.663 -4.481 3.169 226 HB3 GLN 32 2HB GLN 32 0.452 -4.082 4.868 227 HG2 GLN 32 1HG GLN 32 2.026 -6.383 3.736 228 HG3 GLN 32 2HG GLN 32 2.667 -4.933 4.506 229 HE21 GLN 32 1HE2 GLN 32 2.459 -8.016 5.039 230 HE22 GLN 32 2HE2 GLN 32 2.136 -8.070 6.735 231 H ILE 33 H ILE 33 -2.128 -4.970 6.134 232 HA ILE 33 HA ILE 33 -4.191 -3.812 4.406 233 HB ILE 33 HB ILE 33 -4.292 -4.214 7.396 234 HG12 ILE 33 1HG1 ILE 33 -5.633 -5.952 5.332 235 HG13 ILE 33 2HG1 ILE 33 -4.025 -6.319 5.946 236 HG21 ILE 33 1HG2 ILE 33 -6.437 -3.635 5.357 237 HG22 ILE 33 2HG2 ILE 33 -6.723 -3.988 7.061 238 HG23 ILE 33 3HG2 ILE 33 -5.839 -2.534 6.598 239 HD11 ILE 33 1HD1 ILE 33 -4.836 -6.675 8.127 240 HD12 ILE 33 2HD1 ILE 33 -6.402 -5.959 7.741 241 HD13 ILE 33 3HD1 ILE 33 -5.948 -7.514 7.045 242 H ILE 34 H ILE 34 -4.628 -1.677 4.331 243 HA ILE 34 HA ILE 34 -2.762 0.112 5.677 244 HB ILE 34 HB ILE 34 -4.801 0.615 3.510 245 HG12 ILE 34 1HG1 ILE 34 -1.781 0.743 3.430 246 HG13 ILE 34 2HG1 ILE 34 -2.723 -0.648 2.904 247 HG21 ILE 34 1HG2 ILE 34 -4.794 2.702 4.378 248 HG22 ILE 34 2HG2 ILE 34 -3.256 2.469 5.207 249 HG23 ILE 34 3HG2 ILE 34 -3.281 2.826 3.480 250 HD11 ILE 34 1HD1 ILE 34 -3.326 0.330 0.974 251 HD12 ILE 34 2HD1 ILE 34 -3.465 1.932 1.701 252 HD13 ILE 34 3HD1 ILE 34 -1.879 1.296 1.265 253 H LYS 35 H LYS 35 -3.363 1.782 7.036 254 HA LYS 35 HA LYS 35 -6.071 2.413 7.639 255 HB2 LYS 35 1HB LYS 35 -6.046 1.611 9.994 256 HB3 LYS 35 2HB LYS 35 -6.060 0.308 8.813 257 HG2 LYS 35 1HG LYS 35 -3.432 1.232 9.839 258 HG3 LYS 35 2HG LYS 35 -4.460 0.275 10.909 259 HD2 LYS 35 1HD LYS 35 -3.792 -0.580 8.101 260 HD3 LYS 35 2HD LYS 35 -2.794 -1.012 9.492 261 HE2 LYS 35 1HE LYS 35 -5.740 -1.609 9.286 262 HE3 LYS 35 2HE LYS 35 -4.475 -2.743 8.817 263 HZ1 LYS 35 1HZ LYS 35 -4.833 -1.589 11.530 264 HZ2 LYS 35 2HZ LYS 35 -3.633 -2.691 11.077 265 HZ3 LYS 35 3HZ LYS 35 -5.258 -3.159 11.065 266 H ASP 36 H ASP 36 -6.195 3.889 9.595 267 HA ASP 36 HA ASP 36 -5.545 5.803 10.638 268 HB2 ASP 36 1HB ASP 36 -2.814 4.505 10.515 269 HB3 ASP 36 2HB ASP 36 -3.226 5.909 11.496 270 H ILE 37 H ILE 37 -5.825 5.949 7.881 271 HA ILE 37 HA ILE 37 -3.629 7.133 6.559 272 HB ILE 37 HB ILE 37 -6.587 7.381 6.007 273 HG12 ILE 37 1HG1 ILE 37 -4.462 5.695 4.667 274 HG13 ILE 37 2HG1 ILE 37 -5.616 5.094 5.853 275 HG21 ILE 37 1HG2 ILE 37 -5.035 7.800 3.678 276 HG22 ILE 37 2HG2 ILE 37 -6.118 8.929 4.491 277 HG23 ILE 37 3HG2 ILE 37 -4.412 8.868 4.935 278 HD11 ILE 37 1HD1 ILE 37 -6.216 6.172 3.112 279 HD12 ILE 37 2HD1 ILE 37 -6.389 4.510 3.678 280 HD13 ILE 37 3HD1 ILE 37 -7.445 5.772 4.313 281 H GLU 38 H GLU 38 -2.941 9.202 6.392 282 HA GLU 38 HA GLU 38 -4.101 11.127 8.254 283 HB2 GLU 38 1HB GLU 38 -1.548 11.281 6.642 284 HB3 GLU 38 2HB GLU 38 -2.055 12.423 7.879 285 HG2 GLU 38 1HG GLU 38 -1.580 9.507 8.420 286 HG3 GLU 38 2HG GLU 38 -0.336 10.744 8.586 287 HA PRO 39 HA PRO 39 -6.142 13.448 5.123 288 HB2 PRO 39 1HB PRO 39 -6.240 15.860 6.364 289 HB3 PRO 39 2HB PRO 39 -7.258 14.494 6.836 290 HG2 PRO 39 1HG PRO 39 -4.713 15.475 8.070 291 HG3 PRO 39 2HG PRO 39 -6.205 14.934 8.862 292 HD2 PRO 39 1HD PRO 39 -4.021 13.350 8.629 293 HD3 PRO 39 2HD PRO 39 -5.675 12.704 8.615 294 H GLY 40 H GLY 40 -5.730 14.910 3.472 295 HA2 GLY 40 1HA GLY 40 -4.370 15.977 1.953 296 HA3 GLY 40 2HA GLY 40 -3.873 16.925 3.346 297 H SER 41 H SER 41 -3.253 13.538 3.418 298 HA SER 41 HA SER 41 -0.389 14.086 3.247 299 HB2 SER 41 1HB SER 41 -0.038 12.102 4.451 300 HB3 SER 41 2HB SER 41 -1.530 12.738 5.142 301 HG SER 41 HG SER 41 -2.660 11.318 3.697 302 HA PRO 42 HA PRO 42 0.515 12.454 -0.708 303 HB2 PRO 42 1HB PRO 42 2.288 10.500 0.683 304 HB3 PRO 42 2HB PRO 42 2.652 11.596 -0.655 305 HG2 PRO 42 1HG PRO 42 3.461 12.126 1.844 306 HG3 PRO 42 2HG PRO 42 2.950 13.414 0.737 307 HD2 PRO 42 1HD PRO 42 1.566 12.278 3.087 308 HD3 PRO 42 2HD PRO 42 1.475 13.908 2.388 309 H ALA 43 H ALA 43 -0.366 10.280 1.884 310 HA ALA 43 HA ALA 43 -0.816 7.995 0.224 311 HB1 ALA 43 1HB ALA 43 -2.301 7.520 2.456 312 HB2 ALA 43 2HB ALA 43 -0.579 7.171 2.295 313 HB3 ALA 43 3HB ALA 43 -1.107 8.670 3.058 314 H GLU 44 H GLU 44 -2.989 10.310 1.846 315 HA GLU 44 HA GLU 44 -5.364 9.258 0.729 316 HB2 GLU 44 1HB GLU 44 -5.247 10.702 2.765 317 HB3 GLU 44 2HB GLU 44 -4.884 12.071 1.723 318 HG2 GLU 44 1HG GLU 44 -7.183 12.192 2.217 319 HG3 GLU 44 2HG GLU 44 -7.059 11.625 0.552 320 H ALA 45 H ALA 45 -3.230 11.911 -0.233 321 HA ALA 45 HA ALA 45 -4.776 12.921 -2.338 322 HB1 ALA 45 1HB ALA 45 -2.979 14.243 -1.584 323 HB2 ALA 45 2HB ALA 45 -1.814 12.941 -1.831 324 HB3 ALA 45 3HB ALA 45 -2.545 13.745 -3.220 325 H ALA 46 H ALA 46 -2.476 10.258 -2.215 326 HA ALA 46 HA ALA 46 -2.244 9.801 -4.979 327 HB1 ALA 46 1HB ALA 46 -0.876 8.828 -3.019 328 HB2 ALA 46 2HB ALA 46 -2.123 7.581 -2.974 329 HB3 ALA 46 3HB ALA 46 -1.166 7.818 -4.436 330 H GLY 47 H GLY 47 -4.676 8.860 -2.641 331 HA2 GLY 47 1HA GLY 47 -6.933 8.499 -3.499 332 HA3 GLY 47 2HA GLY 47 -6.209 7.639 -4.850 333 H LEU 48 H LEU 48 -4.921 7.122 -1.687 334 HA LEU 48 HA LEU 48 -5.339 4.344 -1.783 335 HB2 LEU 48 1HB LEU 48 -4.390 6.287 0.246 336 HB3 LEU 48 2HB LEU 48 -4.893 4.698 0.819 337 HG LEU 48 HG LEU 48 -2.692 5.291 -1.156 338 HD11 LEU 48 1HD1 LEU 48 -1.298 4.224 0.621 339 HD12 LEU 48 2HD1 LEU 48 -2.703 4.291 1.684 340 HD13 LEU 48 3HD1 LEU 48 -1.991 5.783 1.068 341 HD21 LEU 48 1HD2 LEU 48 -2.342 2.722 -0.656 342 HD22 LEU 48 2HD2 LEU 48 -3.402 3.273 -1.954 343 HD23 LEU 48 3HD2 LEU 48 -4.087 2.775 -0.407 344 H LYS 49 H LYS 49 -6.298 3.398 0.501 345 HA LYS 49 HA LYS 49 -8.802 4.599 1.247 346 HB2 LYS 49 1HB LYS 49 -8.697 2.239 -0.597 347 HB3 LYS 49 2HB LYS 49 -10.011 2.379 0.563 348 HG2 LYS 49 1HG LYS 49 -10.168 4.813 -0.472 349 HG3 LYS 49 2HG LYS 49 -9.422 3.997 -1.849 350 HD2 LYS 49 1HD LYS 49 -11.889 2.966 -0.462 351 HD3 LYS 49 2HD LYS 49 -11.946 4.064 -1.844 352 HE2 LYS 49 1HE LYS 49 -10.388 2.288 -2.952 353 HE3 LYS 49 2HE LYS 49 -11.039 1.219 -1.710 354 HZ1 LYS 49 1HZ LYS 49 -12.186 1.640 -4.090 355 HZ2 LYS 49 2HZ LYS 49 -13.015 2.771 -3.144 356 HZ3 LYS 49 3HZ LYS 49 -13.027 1.136 -2.711 357 H ASN 50 H ASN 50 -9.441 3.933 3.230 358 HA ASN 50 HA ASN 50 -7.710 2.561 4.906 359 HB2 ASN 50 1HB ASN 50 -10.705 2.852 5.233 360 HB3 ASN 50 2HB ASN 50 -9.552 2.496 6.516 361 HD21 ASN 50 1HD2 ASN 50 -8.156 4.118 7.231 362 HD22 ASN 50 2HD2 ASN 50 -8.465 5.788 6.912 363 H ASN 51 H ASN 51 -7.616 0.479 5.709 364 HA ASN 51 HA ASN 51 -7.769 -1.790 5.692 365 HB2 ASN 51 1HB ASN 51 -10.553 -1.016 4.866 366 HB3 ASN 51 2HB ASN 51 -10.075 -2.710 4.922 367 HD21 ASN 51 1HD2 ASN 51 -9.862 0.220 6.912 368 HD22 ASN 51 2HD2 ASN 51 -10.229 -0.565 8.407 369 H ASP 52 H ASP 52 -6.586 -0.497 3.465 370 HA ASP 52 HA ASP 52 -7.475 -1.916 1.094 371 HB2 ASP 52 1HB ASP 52 -5.535 0.260 1.681 372 HB3 ASP 52 2HB ASP 52 -5.214 -0.742 0.269 373 H LEU 53 H LEU 53 -6.833 -3.909 0.651 374 HA LEU 53 HA LEU 53 -4.511 -5.025 1.999 375 HB2 LEU 53 1HB LEU 53 -6.709 -6.224 1.819 376 HB3 LEU 53 2HB LEU 53 -6.401 -6.390 0.092 377 HG LEU 53 HG LEU 53 -4.230 -7.585 0.827 378 HD11 LEU 53 1HD1 LEU 53 -3.984 -8.304 2.960 379 HD12 LEU 53 2HD1 LEU 53 -5.721 -8.390 3.252 380 HD13 LEU 53 3HD1 LEU 53 -4.896 -6.832 3.295 381 HD21 LEU 53 1HD2 LEU 53 -7.001 -8.728 1.071 382 HD22 LEU 53 2HD2 LEU 53 -5.549 -9.725 1.167 383 HD23 LEU 53 3HD2 LEU 53 -5.897 -8.811 -0.302 384 H VAL 54 H VAL 54 -2.583 -4.762 1.098 385 HA VAL 54 HA VAL 54 -2.345 -4.459 -1.795 386 HB VAL 54 HB VAL 54 -0.177 -4.245 0.297 387 HG11 VAL 54 1HG1 VAL 54 -0.130 -2.965 -2.404 388 HG12 VAL 54 2HG1 VAL 54 1.213 -3.407 -1.348 389 HG13 VAL 54 3HG1 VAL 54 0.327 -4.658 -2.220 390 HG21 VAL 54 1HG2 VAL 54 -2.252 -2.612 0.304 391 HG22 VAL 54 2HG2 VAL 54 -0.613 -2.015 0.567 392 HG23 VAL 54 3HG2 VAL 54 -1.365 -1.857 -1.020 393 H VAL 55 H VAL 55 -2.120 -6.243 -2.965 394 HA VAL 55 HA VAL 55 -0.881 -8.615 -1.794 395 HB VAL 55 HB VAL 55 -1.607 -9.686 -3.986 396 HG11 VAL 55 1HG1 VAL 55 -2.862 -10.150 -2.036 397 HG12 VAL 55 2HG1 VAL 55 -3.589 -8.542 -2.033 398 HG13 VAL 55 3HG1 VAL 55 -4.033 -9.710 -3.278 399 HG21 VAL 55 1HG2 VAL 55 -1.835 -7.384 -5.089 400 HG22 VAL 55 2HG2 VAL 55 -3.088 -8.580 -5.421 401 HG23 VAL 55 3HG2 VAL 55 -3.390 -7.287 -4.261 402 H ALA 56 H ALA 56 -0.139 -6.034 -3.906 403 HA ALA 56 HA ALA 56 2.463 -7.229 -4.466 404 HB1 ALA 56 1HB ALA 56 1.566 -5.887 -6.841 405 HB2 ALA 56 2HB ALA 56 2.159 -7.536 -6.643 406 HB3 ALA 56 3HB ALA 56 0.448 -7.181 -6.409 407 H VAL 57 H VAL 57 4.111 -5.731 -4.820 408 HA VAL 57 HA VAL 57 3.389 -2.891 -4.612 409 HB VAL 57 HB VAL 57 5.512 -4.249 -2.946 410 HG11 VAL 57 1HG1 VAL 57 6.279 -2.216 -2.271 411 HG12 VAL 57 2HG1 VAL 57 5.755 -1.779 -3.898 412 HG13 VAL 57 3HG1 VAL 57 4.722 -1.424 -2.513 413 HG21 VAL 57 1HG2 VAL 57 4.156 -3.927 -1.075 414 HG22 VAL 57 2HG2 VAL 57 3.117 -2.771 -1.909 415 HG23 VAL 57 3HG2 VAL 57 3.030 -4.486 -2.312 416 H ASN 58 H ASN 58 4.294 -1.790 -6.210 417 HA ASN 58 HA ASN 58 5.739 -1.105 -7.828 418 HB2 ASN 58 1HB ASN 58 7.534 -2.417 -5.850 419 HB3 ASN 58 2HB ASN 58 8.200 -2.082 -7.445 420 HD21 ASN 58 1HD2 ASN 58 9.451 -0.823 -5.578 421 HD22 ASN 58 2HD2 ASN 58 8.997 0.840 -5.458 422 H GLY 59 H GLY 59 4.262 -3.693 -7.989 423 HA2 GLY 59 1HA GLY 59 3.979 -5.154 -9.774 424 HA3 GLY 59 2HA GLY 59 5.528 -4.627 -10.416 425 H LYS 60 H LYS 60 5.511 -5.570 -7.124 426 HA LYS 60 HA LYS 60 6.585 -8.216 -7.848 427 HB2 LYS 60 1HB LYS 60 7.608 -6.333 -5.715 428 HB3 LYS 60 2HB LYS 60 8.174 -7.981 -5.955 429 HG2 LYS 60 1HG LYS 60 8.274 -6.144 -8.280 430 HG3 LYS 60 2HG LYS 60 9.433 -5.886 -6.973 431 HD2 LYS 60 1HD LYS 60 10.630 -7.369 -8.221 432 HD3 LYS 60 2HD LYS 60 9.722 -8.516 -7.235 433 HE2 LYS 60 1HE LYS 60 8.098 -8.806 -9.000 434 HE3 LYS 60 2HE LYS 60 8.885 -7.562 -9.971 435 HZ1 LYS 60 1HZ LYS 60 10.903 -9.272 -9.490 436 HZ2 LYS 60 2HZ LYS 60 9.948 -9.285 -10.886 437 HZ3 LYS 60 3HZ LYS 60 9.592 -10.335 -9.608 438 H SER 61 H SER 61 5.938 -9.927 -6.632 439 HA SER 61 HA SER 61 3.583 -9.669 -5.084 440 HB2 SER 61 1HB SER 61 4.116 -12.125 -4.504 441 HB3 SER 61 2HB SER 61 3.833 -11.729 -6.199 442 HG SER 61 HG SER 61 6.005 -11.830 -6.584 443 H VAL 62 H VAL 62 3.394 -9.028 -3.053 444 HA VAL 62 HA VAL 62 5.684 -9.401 -1.234 445 HB VAL 62 HB VAL 62 5.040 -7.435 -0.036 446 HG11 VAL 62 1HG1 VAL 62 6.306 -7.214 -2.219 447 HG12 VAL 62 2HG1 VAL 62 4.783 -6.684 -2.936 448 HG13 VAL 62 3HG1 VAL 62 5.512 -5.756 -1.626 449 HG21 VAL 62 1HG2 VAL 62 2.557 -7.626 -1.684 450 HG22 VAL 62 2HG2 VAL 62 2.734 -7.376 0.053 451 HG23 VAL 62 3HG2 VAL 62 3.080 -6.059 -1.067 452 H GLU 63 H GLU 63 2.207 -9.641 -1.627 453 HA GLU 63 HA GLU 63 1.215 -10.091 0.832 454 HB2 GLU 63 1HB GLU 63 -0.448 -11.485 -0.120 455 HB3 GLU 63 2HB GLU 63 0.021 -10.358 -1.385 456 HG2 GLU 63 1HG GLU 63 1.363 -13.012 -1.234 457 HG3 GLU 63 2HG GLU 63 -0.268 -12.902 -1.894 458 H ALA 64 H ALA 64 3.458 -12.153 -0.861 459 HA ALA 64 HA ALA 64 3.182 -14.422 0.843 460 HB1 ALA 64 1HB ALA 64 4.228 -14.190 -1.552 461 HB2 ALA 64 2HB ALA 64 5.709 -13.891 -0.642 462 HB3 ALA 64 3HB ALA 64 4.827 -15.401 -0.419 463 H LEU 65 H LEU 65 5.466 -11.709 0.708 464 HA LEU 65 HA LEU 65 7.159 -12.550 2.776 465 HB2 LEU 65 1HB LEU 65 6.490 -9.881 1.600 466 HB3 LEU 65 2HB LEU 65 7.548 -9.997 3.004 467 HG LEU 65 HG LEU 65 8.176 -11.585 0.552 468 HD11 LEU 65 1HD1 LEU 65 8.868 -9.848 -0.681 469 HD12 LEU 65 2HD1 LEU 65 9.458 -8.956 0.722 470 HD13 LEU 65 3HD1 LEU 65 7.744 -8.912 0.306 471 HD21 LEU 65 1HD2 LEU 65 9.368 -11.753 2.813 472 HD22 LEU 65 2HD2 LEU 65 10.043 -10.170 2.428 473 HD23 LEU 65 3HD2 LEU 65 10.365 -11.546 1.373 474 H ASP 66 H ASP 66 7.356 -10.831 4.754 475 HA ASP 66 HA ASP 66 4.755 -10.975 6.130 476 HB2 ASP 66 1HB ASP 66 7.566 -11.377 7.101 477 HB3 ASP 66 2HB ASP 66 6.307 -10.874 8.225 478 H HIS 67 H HIS 67 4.765 -9.372 8.095 479 HA HIS 67 HA HIS 67 4.334 -6.855 7.330 480 HB2 HIS 67 1HB HIS 67 3.950 -7.506 9.617 481 HB3 HIS 67 2HB HIS 67 5.676 -7.715 9.899 482 HD1 HIS 67 1HD HIS 67 3.200 -5.514 10.856 483 HD2 HIS 67 2HD HIS 67 6.933 -4.932 9.128 484 HE1 HIS 67 1HE HIS 67 3.827 -3.138 11.393 485 HE2 HIS 67 2HE HIS 67 6.051 -2.783 10.265 486 H ASP 68 H ASP 68 7.533 -7.901 8.515 487 HA ASP 68 HA ASP 68 8.858 -5.499 7.897 488 HB2 ASP 68 1HB ASP 68 10.048 -6.820 9.382 489 HB3 ASP 68 2HB ASP 68 9.735 -8.299 8.478 490 H GLY 69 H GLY 69 8.988 -8.624 6.169 491 HA2 GLY 69 1HA GLY 69 10.484 -7.980 4.002 492 HA3 GLY 69 2HA GLY 69 9.088 -9.043 3.898 493 H VAL 70 H VAL 70 6.938 -7.576 4.062 494 HA VAL 70 HA VAL 70 6.735 -6.268 1.602 495 HB VAL 70 HB VAL 70 4.923 -5.856 3.983 496 HG11 VAL 70 1HG1 VAL 70 3.896 -4.445 2.596 497 HG12 VAL 70 2HG1 VAL 70 4.873 -4.963 1.222 498 HG13 VAL 70 3HG1 VAL 70 3.422 -5.863 1.662 499 HG21 VAL 70 1HG2 VAL 70 4.115 -7.781 1.931 500 HG22 VAL 70 2HG2 VAL 70 5.526 -8.274 2.868 501 HG23 VAL 70 3HG2 VAL 70 4.014 -7.886 3.689 502 H VAL 71 H VAL 71 6.318 -4.698 4.778 503 HA VAL 71 HA VAL 71 6.419 -2.087 4.029 504 HB VAL 71 HB VAL 71 7.569 -3.375 6.498 505 HG11 VAL 71 1HG1 VAL 71 7.568 -0.520 5.651 506 HG12 VAL 71 2HG1 VAL 71 7.295 -0.904 7.352 507 HG13 VAL 71 3HG1 VAL 71 8.779 -1.428 6.555 508 HG21 VAL 71 1HG2 VAL 71 5.542 -3.048 7.463 509 HG22 VAL 71 2HG2 VAL 71 5.220 -1.575 6.548 510 HG23 VAL 71 3HG2 VAL 71 5.002 -3.151 5.787 511 H GLU 72 H GLU 72 9.044 -4.347 4.040 512 HA GLU 72 HA GLU 72 11.178 -2.475 4.020 513 HB2 GLU 72 1HB GLU 72 11.308 -4.971 4.522 514 HB3 GLU 72 2HB GLU 72 11.239 -5.224 2.784 515 HG2 GLU 72 1HG GLU 72 13.330 -4.346 2.431 516 HG3 GLU 72 2HG GLU 72 13.287 -3.373 3.900 517 H MET 73 H MET 73 9.540 -4.270 1.419 518 HA MET 73 HA MET 73 10.940 -3.447 -0.769 519 HB2 MET 73 1HB MET 73 7.932 -3.677 -0.559 520 HB3 MET 73 2HB MET 73 8.848 -3.671 -2.060 521 HG2 MET 73 1HG MET 73 9.350 -5.707 0.079 522 HG3 MET 73 2HG MET 73 8.081 -5.917 -1.125 523 HE1 MET 73 1HE MET 73 9.713 -7.220 -4.117 524 HE2 MET 73 2HE MET 73 8.969 -7.998 -2.719 525 HE3 MET 73 3HE MET 73 8.285 -6.506 -3.366 526 H ILE 74 H ILE 74 8.369 -1.647 0.883 527 HA ILE 74 HA ILE 74 8.255 0.538 -0.865 528 HB ILE 74 HB ILE 74 7.680 0.391 2.093 529 HG12 ILE 74 1HG1 ILE 74 5.610 0.713 -0.034 530 HG13 ILE 74 2HG1 ILE 74 6.337 -0.874 0.189 531 HG21 ILE 74 1HG2 ILE 74 6.272 2.497 1.447 532 HG22 ILE 74 2HG2 ILE 74 7.983 2.656 1.843 533 HG23 ILE 74 3HG2 ILE 74 7.465 2.649 0.157 534 HD11 ILE 74 1HD1 ILE 74 4.176 -0.385 1.428 535 HD12 ILE 74 2HD1 ILE 74 5.505 -1.067 2.365 536 HD13 ILE 74 3HD1 ILE 74 5.144 0.656 2.472 537 H ARG 75 H ARG 75 10.296 -0.077 1.954 538 HA ARG 75 HA ARG 75 11.482 2.459 2.134 539 HB2 ARG 75 1HB ARG 75 12.206 -0.284 3.053 540 HB3 ARG 75 2HB ARG 75 13.449 0.959 3.098 541 HG2 ARG 75 1HG ARG 75 11.841 2.370 4.419 542 HG3 ARG 75 2HG ARG 75 10.811 0.941 4.535 543 HD2 ARG 75 1HD ARG 75 12.126 1.040 6.519 544 HD3 ARG 75 2HD ARG 75 12.757 -0.276 5.529 545 HE ARG 75 HE ARG 75 14.115 2.221 5.118 546 HH11 ARG 75 2HH1 ARG 75 13.946 -0.652 7.078 547 HH12 ARG 75 1HH1 ARG 75 15.599 -0.557 7.590 548 HH21 ARG 75 2HH2 ARG 75 16.292 2.356 5.785 549 HH22 ARG 75 1HH2 ARG 75 16.932 1.155 6.855 550 H LYS 76 H LYS 76 12.321 -0.386 0.225 551 HA LYS 76 HA LYS 76 14.754 0.730 -0.795 552 HB2 LYS 76 1HB LYS 76 13.130 -1.569 -1.898 553 HB3 LYS 76 2HB LYS 76 14.816 -1.212 -2.249 554 HG2 LYS 76 1HG LYS 76 15.030 -1.438 0.379 555 HG3 LYS 76 2HG LYS 76 13.593 -2.439 0.157 556 HD2 LYS 76 1HD LYS 76 14.860 -3.706 -1.598 557 HD3 LYS 76 2HD LYS 76 16.299 -2.801 -1.123 558 HE2 LYS 76 1HE LYS 76 16.473 -3.871 0.894 559 HE3 LYS 76 2HE LYS 76 14.743 -4.190 0.997 560 HZ1 LYS 76 1HZ LYS 76 14.922 -5.984 -0.476 561 HZ2 LYS 76 2HZ LYS 76 16.240 -6.161 0.569 562 HZ3 LYS 76 3HZ LYS 76 16.473 -5.541 -0.987 563 H GLY 77 H GLY 77 11.408 0.600 -1.847 564 HA2 GLY 77 1HA GLY 77 11.601 1.258 -4.512 565 HA3 GLY 77 2HA GLY 77 10.305 1.811 -3.462 566 H GLY 78 H GLY 78 12.116 3.342 -1.737 567 HA2 GLY 78 1HA GLY 78 13.565 5.250 -1.945 568 HA3 GLY 78 2HA GLY 78 13.002 5.445 -3.598 569 H ASP 79 H ASP 79 12.714 7.700 -2.887 570 HA ASP 79 HA ASP 79 11.025 8.612 -0.927 571 HB2 ASP 79 1HB ASP 79 11.525 9.694 -3.701 572 HB3 ASP 79 2HB ASP 79 10.578 10.560 -2.495 573 H GLN 80 H GLN 80 10.144 7.604 -4.215 574 HA GLN 80 HA GLN 80 7.330 7.530 -3.345 575 HB2 GLN 80 1HB GLN 80 6.655 7.981 -5.601 576 HB3 GLN 80 2HB GLN 80 7.851 9.186 -5.144 577 HG2 GLN 80 1HG GLN 80 9.570 7.916 -6.348 578 HG3 GLN 80 2HG GLN 80 8.343 6.748 -6.837 579 HE21 GLN 80 1HE2 GLN 80 8.045 7.022 -8.934 580 HE22 GLN 80 2HE2 GLN 80 7.757 8.530 -9.727 581 H THR 81 H THR 81 6.011 5.818 -4.199 582 HA THR 81 HA THR 81 7.297 3.577 -5.495 583 HB THR 81 HB THR 81 7.939 3.068 -3.232 584 HG1 THR 81 1HG THR 81 5.647 1.507 -3.897 585 HG21 THR 81 1HG2 THR 81 6.415 4.414 -1.965 586 HG22 THR 81 2HG2 THR 81 6.179 2.735 -1.477 587 HG23 THR 81 3HG2 THR 81 5.029 3.507 -2.569 588 H THR 82 H THR 82 5.794 1.922 -6.141 589 HA THR 82 HA THR 82 3.052 2.959 -6.363 590 HB THR 82 HB THR 82 4.397 0.846 -8.058 591 HG1 THR 82 1HG THR 82 4.962 3.313 -8.116 592 HG21 THR 82 1HG2 THR 82 1.705 1.331 -7.703 593 HG22 THR 82 2HG2 THR 82 2.436 0.533 -9.096 594 HG23 THR 82 3HG2 THR 82 2.094 2.262 -9.149 595 H LEU 83 H LEU 83 1.373 1.882 -5.516 596 HA LEU 83 HA LEU 83 1.896 -0.782 -4.370 597 HB2 LEU 83 1HB LEU 83 -0.314 0.917 -3.344 598 HB3 LEU 83 2HB LEU 83 0.678 -0.273 -2.503 599 HG LEU 83 HG LEU 83 1.369 2.581 -3.164 600 HD11 LEU 83 1HD1 LEU 83 0.123 1.474 -0.984 601 HD12 LEU 83 2HD1 LEU 83 0.978 3.016 -1.012 602 HD13 LEU 83 3HD1 LEU 83 1.809 1.557 -0.474 603 HD21 LEU 83 1HD2 LEU 83 3.553 2.169 -3.039 604 HD22 LEU 83 2HD2 LEU 83 3.152 0.465 -3.256 605 HD23 LEU 83 3HD2 LEU 83 3.352 1.125 -1.632 606 H LEU 84 H LEU 84 0.092 -2.264 -4.309 607 HA LEU 84 HA LEU 84 -2.019 -1.686 -6.271 608 HB2 LEU 84 1HB LEU 84 -0.429 -3.011 -7.453 609 HB3 LEU 84 2HB LEU 84 -0.286 -4.142 -6.109 610 HG LEU 84 HG LEU 84 -2.592 -4.899 -6.529 611 HD11 LEU 84 1HD1 LEU 84 -3.379 -4.185 -8.945 612 HD12 LEU 84 2HD1 LEU 84 -2.469 -2.727 -8.553 613 HD13 LEU 84 3HD1 LEU 84 -3.803 -3.239 -7.518 614 HD21 LEU 84 1HD2 LEU 84 -0.344 -5.624 -7.831 615 HD22 LEU 84 2HD2 LEU 84 -1.367 -5.171 -9.194 616 HD23 LEU 84 3HD2 LEU 84 -1.908 -6.407 -8.058 617 H VAL 85 H VAL 85 -3.775 -1.595 -5.007 618 HA VAL 85 HA VAL 85 -4.175 -3.731 -3.019 619 HB VAL 85 HB VAL 85 -5.831 -2.219 -1.965 620 HG11 VAL 85 1HG1 VAL 85 -4.033 -0.429 -1.313 621 HG12 VAL 85 2HG1 VAL 85 -3.822 -2.119 -0.852 622 HG13 VAL 85 3HG1 VAL 85 -2.958 -1.470 -2.246 623 HG21 VAL 85 1HG2 VAL 85 -4.837 0.175 -3.321 624 HG22 VAL 85 2HG2 VAL 85 -5.804 -0.883 -4.349 625 HG23 VAL 85 3HG2 VAL 85 -6.478 -0.259 -2.843 626 H LEU 86 H LEU 86 -6.258 -4.684 -2.826 627 HA LEU 86 HA LEU 86 -7.683 -4.791 -5.377 628 HB2 LEU 86 1HB LEU 86 -7.354 -6.612 -3.059 629 HB3 LEU 86 2HB LEU 86 -8.868 -6.709 -3.957 630 HG LEU 86 HG LEU 86 -7.117 -8.361 -4.640 631 HD11 LEU 86 1HD1 LEU 86 -8.992 -7.621 -6.101 632 HD12 LEU 86 2HD1 LEU 86 -7.561 -8.156 -6.981 633 HD13 LEU 86 3HD1 LEU 86 -7.902 -6.434 -6.818 634 HD21 LEU 86 1HD2 LEU 86 -5.418 -6.211 -4.544 635 HD22 LEU 86 2HD2 LEU 86 -5.685 -6.415 -6.276 636 HD23 LEU 86 3HD2 LEU 86 -5.072 -7.760 -5.313 637 H ASP 87 H ASP 87 -9.839 -4.339 -5.602 638 HA ASP 87 HA ASP 87 -10.984 -2.563 -3.656 639 HB2 ASP 87 1HB ASP 87 -12.108 -3.670 -6.238 640 HB3 ASP 87 2HB ASP 87 -12.871 -2.416 -5.265 641 H LYS 88 H LYS 88 -11.888 -5.735 -4.990 642 HA LYS 88 HA LYS 88 -14.198 -6.178 -3.532 643 HB2 LYS 88 1HB LYS 88 -13.305 -7.612 -5.384 644 HB3 LYS 88 2HB LYS 88 -12.149 -8.284 -4.241 645 HG2 LYS 88 1HG LYS 88 -15.052 -8.370 -3.582 646 HG3 LYS 88 2HG LYS 88 -14.395 -9.514 -4.755 647 HD2 LYS 88 1HD LYS 88 -12.658 -10.113 -3.036 648 HD3 LYS 88 2HD LYS 88 -13.572 -9.142 -1.879 649 HE2 LYS 88 1HE LYS 88 -14.908 -11.312 -3.453 650 HE3 LYS 88 2HE LYS 88 -13.992 -11.693 -1.996 651 HZ1 LYS 88 1HZ LYS 88 -15.635 -10.955 -0.722 652 HZ2 LYS 88 2HZ LYS 88 -16.604 -10.896 -2.106 653 HZ3 LYS 88 3HZ LYS 88 -15.783 -9.510 -1.589 654 H GLU 89 H GLU 89 -10.910 -7.284 -2.686 655 HA GLU 89 HA GLU 89 -11.780 -7.895 0.014 656 HB2 GLU 89 1HB GLU 89 -8.947 -8.037 -0.984 657 HB3 GLU 89 2HB GLU 89 -9.698 -8.956 0.312 658 HG2 GLU 89 1HG GLU 89 -10.704 -9.267 -2.475 659 HG3 GLU 89 2HG GLU 89 -9.210 -10.068 -1.991 660 H ALA 90 H ALA 90 -12.074 -5.212 -0.509 661 HA ALA 90 HA ALA 90 -9.795 -3.914 0.813 662 HB1 ALA 90 1HB ALA 90 -12.089 -2.397 -0.350 663 HB2 ALA 90 2HB ALA 90 -10.398 -1.924 -0.183 664 HB3 ALA 90 3HB ALA 90 -10.869 -3.095 -1.415 665 H GLU 91 H GLU 91 -13.330 -4.192 0.980 666 HA GLU 91 HA GLU 91 -13.442 -2.773 3.493 667 HB2 GLU 91 1HB GLU 91 -15.442 -4.025 1.660 668 HB3 GLU 91 2HB GLU 91 -15.903 -3.713 3.327 669 HG2 GLU 91 1HG GLU 91 -14.934 -1.326 2.796 670 HG3 GLU 91 2HG GLU 91 -15.290 -1.804 1.137 671 H SER 92 H SER 92 -12.541 -3.828 5.165 672 HA SER 92 HA SER 92 -13.169 -6.671 5.542 673 HB2 SER 92 1HB SER 92 -10.773 -6.031 5.547 674 HB3 SER 92 2HB SER 92 -11.076 -4.981 6.931 675 HG SER 92 HG SER 92 -11.410 -7.798 6.833 676 H ILE 93 H ILE 93 -15.194 -6.590 6.454 677 HA ILE 93 HA ILE 93 -15.707 -4.875 8.733 678 HB ILE 93 HB ILE 93 -17.456 -6.973 7.444 679 HG12 ILE 93 1HG1 ILE 93 -16.963 -5.087 5.954 680 HG13 ILE 93 2HG1 ILE 93 -18.646 -5.058 6.467 681 HG21 ILE 93 1HG2 ILE 93 -18.447 -6.810 9.485 682 HG22 ILE 93 2HG2 ILE 93 -17.817 -5.191 9.785 683 HG23 ILE 93 3HG2 ILE 93 -19.196 -5.414 8.709 684 HD11 ILE 93 1HD1 ILE 93 -17.206 -3.519 8.328 685 HD12 ILE 93 2HD1 ILE 93 -16.654 -3.042 6.722 686 HD13 ILE 93 3HD1 ILE 93 -18.370 -2.970 7.122 687 H TYR 94 H TYR 94 -15.972 -5.517 10.835 688 HA TYR 94 HA TYR 94 -14.997 -8.215 11.469 689 HB2 TYR 94 1HB TYR 94 -14.623 -7.219 13.771 690 HB3 TYR 94 2HB TYR 94 -13.615 -6.568 12.483 691 HD1 TYR 94 1HD TYR 94 -16.411 -5.871 14.757 692 HD2 TYR 94 2HD TYR 94 -13.863 -4.283 11.742 693 HE1 TYR 94 1HE TYR 94 -17.163 -3.599 15.326 694 HE2 TYR 94 2HE TYR 94 -14.608 -2.007 12.303 695 HH TYR 94 HH TYR 94 -17.302 -1.392 14.286 696 H SER 95 H SER 95 -16.109 -9.566 12.845 697 HA SER 95 HA SER 95 -18.488 -8.742 14.212 698 HB2 SER 95 1HB SER 95 -19.509 -8.898 12.049 699 HB3 SER 95 2HB SER 95 -18.718 -10.439 11.721 700 HG SER 95 HG SER 95 -19.963 -11.333 13.436 701 H LEU 96 H LEU 96 -19.329 -10.366 15.592 702 HA LEU 96 HA LEU 96 -17.480 -12.030 16.790 703 HB2 LEU 96 1HB LEU 96 -19.446 -11.417 17.970 704 HB3 LEU 96 2HB LEU 96 -20.485 -12.142 16.744 705 HG LEU 96 HG LEU 96 -18.619 -13.920 18.230 706 HD11 LEU 96 1HD1 LEU 96 -20.083 -12.208 19.717 707 HD12 LEU 96 2HD1 LEU 96 -19.670 -13.848 20.216 708 HD13 LEU 96 3HD1 LEU 96 -21.244 -13.516 19.493 709 HD21 LEU 96 1HD2 LEU 96 -20.222 -15.558 17.781 710 HD22 LEU 96 2HD2 LEU 96 -20.206 -14.565 16.323 711 HD23 LEU 96 3HD2 LEU 96 -21.497 -14.369 17.511 712 H SER 97 H SER 97 -17.012 -14.214 16.705 713 HA SER 97 HA SER 97 -18.000 -15.625 14.313 714 HB2 SER 97 1HB SER 97 -15.844 -16.739 14.157 715 HB3 SER 97 2HB SER 97 -15.597 -14.993 14.189 716 HG SER 97 HG SER 97 -14.378 -16.625 15.691 717 H GLY 98 H GLY 98 -19.111 -17.427 14.678 718 HA2 GLY 98 1HA GLY 98 -18.446 -19.139 16.933 719 HA3 GLY 98 2HA GLY 98 -20.044 -18.409 16.980 720 HA PRO 99 HA PRO 99 -20.081 -22.454 14.573 721 HB2 PRO 99 1HB PRO 99 -21.794 -23.773 16.216 722 HB3 PRO 99 2HB PRO 99 -20.040 -23.798 16.437 723 HG2 PRO 99 1HG PRO 99 -22.102 -22.140 17.838 724 HG3 PRO 99 2HG PRO 99 -20.699 -22.988 18.514 725 HD2 PRO 99 1HD PRO 99 -20.694 -20.325 18.021 726 HD3 PRO 99 2HD PRO 99 -19.233 -21.324 17.886 727 H SER 100 H SER 100 -22.264 -20.100 15.726 728 HA SER 100 HA SER 100 -24.024 -20.531 13.484 729 HB2 SER 100 1HB SER 100 -25.013 -20.898 16.317 730 HB3 SER 100 2HB SER 100 -26.082 -20.604 14.946 731 HG SER 100 HG SER 100 -25.715 -22.573 14.216 732 H SER 101 H SER 101 -25.618 -18.797 13.256 733 HA SER 101 HA SER 101 -24.544 -16.273 13.525 734 HB2 SER 101 1HB SER 101 -27.315 -17.293 13.059 735 HB3 SER 101 2HB SER 101 -27.091 -15.572 13.373 736 HG SER 101 HG SER 101 -25.402 -16.762 11.505 737 H GLY 102 H GLY 102 -24.016 -15.206 15.309 738 HA2 GLY 102 1HA GLY 102 -24.801 -13.900 17.185 739 HA3 GLY 102 2HA GLY 102 -25.945 -15.187 17.539 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -11.019 -6.077 -25.118 2 HA2 GLY 1 1HA GLY 1 -8.648 -5.486 -24.322 3 HA3 GLY 1 2HA GLY 1 -9.491 -4.311 -23.322 4 H SER 2 H SER 2 -8.171 -5.685 -21.729 5 HA SER 2 HA SER 2 -8.743 -8.286 -21.051 6 HB2 SER 2 1HB SER 2 -7.873 -7.814 -18.882 7 HB3 SER 2 2HB SER 2 -7.023 -6.741 -19.994 8 HG SER 2 HG SER 2 -8.496 -5.088 -19.373 9 H SER 3 H SER 3 -10.075 -9.195 -19.353 10 HA SER 3 HA SER 3 -12.739 -8.001 -19.362 11 HB2 SER 3 1HB SER 3 -11.832 -10.736 -18.428 12 HB3 SER 3 2HB SER 3 -13.505 -10.192 -18.553 13 HG SER 3 HG SER 3 -11.882 -9.997 -20.819 14 H GLY 4 H GLY 4 -12.366 -6.322 -17.852 15 HA2 GLY 4 1HA GLY 4 -12.264 -5.369 -15.763 16 HA3 GLY 4 2HA GLY 4 -13.126 -6.810 -15.245 17 H SER 5 H SER 5 -10.051 -5.212 -15.433 18 HA SER 5 HA SER 5 -8.499 -7.403 -14.451 19 HB2 SER 5 1HB SER 5 -6.712 -5.730 -14.176 20 HB3 SER 5 2HB SER 5 -7.472 -5.599 -15.762 21 HG SER 5 HG SER 5 -8.868 -3.977 -14.463 22 H SER 6 H SER 6 -7.616 -7.681 -12.384 23 HA SER 6 HA SER 6 -9.201 -6.440 -10.243 24 HB2 SER 6 1HB SER 6 -8.518 -8.383 -8.870 25 HB3 SER 6 2HB SER 6 -9.359 -8.877 -10.339 26 HG SER 6 HG SER 6 -6.551 -8.696 -10.296 27 H GLY 7 H GLY 7 -8.259 -5.304 -8.628 28 HA2 GLY 7 1HA GLY 7 -6.502 -4.599 -7.228 29 HA3 GLY 7 2HA GLY 7 -5.357 -5.373 -8.314 30 H ARG 8 H ARG 8 -6.139 -2.489 -7.152 31 HA ARG 8 HA ARG 8 -5.864 -1.025 -9.675 32 HB2 ARG 8 1HB ARG 8 -6.427 0.970 -8.350 33 HB3 ARG 8 2HB ARG 8 -7.653 -0.281 -8.198 34 HG2 ARG 8 1HG ARG 8 -6.494 -0.960 -6.050 35 HG3 ARG 8 2HG ARG 8 -5.589 0.550 -6.186 36 HD2 ARG 8 1HD ARG 8 -8.591 0.470 -6.281 37 HD3 ARG 8 2HD ARG 8 -7.706 0.570 -4.759 38 HE ARG 8 HE ARG 8 -6.678 2.592 -6.268 39 HH11 ARG 8 2HH1 ARG 8 -9.879 1.675 -5.251 40 HH12 ARG 8 1HH1 ARG 8 -10.478 3.300 -5.225 41 HH21 ARG 8 2HH2 ARG 8 -7.455 4.737 -6.238 42 HH22 ARG 8 1HH2 ARG 8 -9.099 5.041 -5.788 43 H VAL 9 H VAL 9 -4.370 0.839 -9.711 44 HA VAL 9 HA VAL 9 -1.859 0.149 -8.343 45 HB VAL 9 HB VAL 9 -2.351 1.678 -10.899 46 HG11 VAL 9 1HG1 VAL 9 -0.521 2.674 -9.548 47 HG12 VAL 9 2HG1 VAL 9 0.303 1.114 -9.585 48 HG13 VAL 9 3HG1 VAL 9 0.023 2.000 -11.084 49 HG21 VAL 9 1HG2 VAL 9 -0.615 -0.292 -11.509 50 HG22 VAL 9 2HG2 VAL 9 -1.528 -1.070 -10.217 51 HG23 VAL 9 3HG2 VAL 9 -2.366 -0.454 -11.642 52 H VAL 10 H VAL 10 -1.040 1.485 -6.868 53 HA VAL 10 HA VAL 10 -2.159 4.206 -6.681 54 HB VAL 10 HB VAL 10 -0.893 2.739 -4.381 55 HG11 VAL 10 1HG1 VAL 10 -1.423 5.306 -4.531 56 HG12 VAL 10 2HG1 VAL 10 -3.062 4.769 -4.157 57 HG13 VAL 10 3HG1 VAL 10 -1.738 4.404 -3.050 58 HG21 VAL 10 1HG2 VAL 10 -2.629 1.368 -4.194 59 HG22 VAL 10 2HG2 VAL 10 -3.720 2.752 -4.121 60 HG23 VAL 10 3HG2 VAL 10 -3.317 2.027 -5.678 61 H VAL 11 H VAL 11 -0.775 5.927 -6.208 62 HA VAL 11 HA VAL 11 2.107 5.368 -6.263 63 HB VAL 11 HB VAL 11 0.709 7.390 -8.020 64 HG11 VAL 11 1HG1 VAL 11 3.081 7.716 -8.900 65 HG12 VAL 11 2HG1 VAL 11 2.696 8.437 -7.337 66 HG13 VAL 11 3HG1 VAL 11 3.615 6.934 -7.413 67 HG21 VAL 11 1HG2 VAL 11 1.784 4.684 -8.451 68 HG22 VAL 11 2HG2 VAL 11 0.529 5.561 -9.327 69 HG23 VAL 11 3HG2 VAL 11 2.230 5.881 -9.667 70 H ILE 12 H ILE 12 3.152 6.420 -4.710 71 HA ILE 12 HA ILE 12 2.071 8.972 -3.736 72 HB ILE 12 HB ILE 12 3.052 6.746 -1.945 73 HG12 ILE 12 1HG1 ILE 12 0.279 7.875 -1.885 74 HG13 ILE 12 2HG1 ILE 12 0.686 6.662 -3.094 75 HG21 ILE 12 1HG2 ILE 12 2.356 8.218 -0.112 76 HG22 ILE 12 2HG2 ILE 12 3.626 8.949 -1.092 77 HG23 ILE 12 3HG2 ILE 12 1.953 9.475 -1.281 78 HD11 ILE 12 1HD1 ILE 12 1.640 5.716 -0.617 79 HD12 ILE 12 2HD1 ILE 12 -0.003 6.305 -0.362 80 HD13 ILE 12 3HD1 ILE 12 0.316 5.086 -1.596 81 H LYS 13 H LYS 13 3.618 10.347 -2.707 82 HA LYS 13 HA LYS 13 6.425 9.635 -3.235 83 HB2 LYS 13 1HB LYS 13 5.573 12.477 -3.507 84 HB3 LYS 13 2HB LYS 13 6.873 11.615 -4.318 85 HG2 LYS 13 1HG LYS 13 5.444 11.858 -6.063 86 HG3 LYS 13 2HG LYS 13 4.848 10.325 -5.422 87 HD2 LYS 13 1HD LYS 13 2.891 11.528 -5.684 88 HD3 LYS 13 2HD LYS 13 3.287 11.843 -3.992 89 HE2 LYS 13 1HE LYS 13 2.618 13.888 -5.154 90 HE3 LYS 13 2HE LYS 13 4.293 13.973 -4.611 91 HZ1 LYS 13 1HZ LYS 13 3.545 14.624 -7.057 92 HZ2 LYS 13 2HZ LYS 13 3.843 12.979 -7.312 93 HZ3 LYS 13 3HZ LYS 13 5.071 13.978 -6.716 94 H LYS 14 H LYS 14 7.641 9.748 -1.475 95 HA LYS 14 HA LYS 14 6.885 10.298 1.055 96 HB2 LYS 14 1HB LYS 14 9.206 9.558 0.014 97 HB3 LYS 14 2HB LYS 14 9.604 11.252 0.273 98 HG2 LYS 14 1HG LYS 14 10.316 10.382 2.248 99 HG3 LYS 14 2HG LYS 14 8.644 10.750 2.678 100 HD2 LYS 14 1HD LYS 14 8.807 8.590 3.436 101 HD3 LYS 14 2HD LYS 14 8.221 8.310 1.795 102 HE2 LYS 14 1HE LYS 14 10.003 6.792 2.131 103 HE3 LYS 14 2HE LYS 14 10.638 8.077 1.104 104 HZ1 LYS 14 1HZ LYS 14 11.344 9.074 3.395 105 HZ2 LYS 14 2HZ LYS 14 12.294 7.894 2.643 106 HZ3 LYS 14 3HZ LYS 14 11.252 7.463 3.905 107 H GLY 15 H GLY 15 6.858 12.051 2.466 108 HA2 GLY 15 1HA GLY 15 7.701 14.656 1.861 109 HA3 GLY 15 2HA GLY 15 6.012 14.513 1.397 110 H SER 16 H SER 16 4.599 15.095 2.893 111 HA SER 16 HA SER 16 5.353 15.814 5.509 112 HB2 SER 16 1HB SER 16 2.964 16.161 5.909 113 HB3 SER 16 2HB SER 16 3.417 16.799 4.329 114 HG SER 16 HG SER 16 2.473 14.164 4.540 115 H ASN 17 H ASN 17 5.891 14.488 7.101 116 HA ASN 17 HA ASN 17 6.008 12.668 8.463 117 HB2 ASN 17 1HB ASN 17 3.083 12.358 7.753 118 HB3 ASN 17 2HB ASN 17 3.892 11.700 9.172 119 HD21 ASN 17 1HD2 ASN 17 3.942 12.882 10.961 120 HD22 ASN 17 2HD2 ASN 17 3.486 14.544 11.075 121 H GLY 18 H GLY 18 6.880 12.190 5.866 122 HA2 GLY 18 1HA GLY 18 7.620 10.333 4.702 123 HA3 GLY 18 2HA GLY 18 6.662 9.325 5.776 124 H TYR 19 H TYR 19 4.989 8.316 4.895 125 HA TYR 19 HA TYR 19 4.062 9.200 2.260 126 HB2 TYR 19 1HB TYR 19 3.774 6.575 3.727 127 HB3 TYR 19 2HB TYR 19 2.981 6.921 2.194 128 HD1 TYR 19 2HD TYR 19 4.669 7.863 0.332 129 HD2 TYR 19 1HD TYR 19 5.770 5.431 3.644 130 HE1 TYR 19 2HE TYR 19 6.684 7.137 -0.878 131 HE2 TYR 19 1HE TYR 19 7.788 4.699 2.444 132 HH TYR 19 HH TYR 19 8.566 5.962 -0.783 133 H GLY 20 H GLY 20 2.664 7.903 5.280 134 HA2 GLY 20 1HA GLY 20 0.921 9.368 6.313 135 HA3 GLY 20 2HA GLY 20 0.242 9.495 4.697 136 H PHE 21 H PHE 21 1.056 6.533 4.393 137 HA PHE 21 HA PHE 21 -1.374 5.482 5.674 138 HB2 PHE 21 1HB PHE 21 -1.530 3.885 3.912 139 HB3 PHE 21 2HB PHE 21 -1.191 5.435 3.150 140 HD1 PHE 21 1HD PHE 21 1.118 5.923 2.344 141 HD2 PHE 21 2HD PHE 21 -0.063 2.058 3.680 142 HE1 PHE 21 1HE PHE 21 3.062 4.937 1.202 143 HE2 PHE 21 2HE PHE 21 1.879 1.067 2.541 144 HZ PHE 21 HZ PHE 21 3.445 2.506 1.301 145 H TYR 22 H TYR 22 -1.294 3.730 6.988 146 HA TYR 22 HA TYR 22 1.384 2.744 7.683 147 HB2 TYR 22 1HB TYR 22 -1.199 2.910 9.219 148 HB3 TYR 22 2HB TYR 22 0.119 1.873 9.754 149 HD1 TYR 22 2HD TYR 22 2.425 3.008 10.077 150 HD2 TYR 22 1HD TYR 22 -1.245 5.149 9.853 151 HE1 TYR 22 2HE TYR 22 3.480 4.923 11.203 152 HE2 TYR 22 1HE TYR 22 -0.200 7.071 10.977 153 HH TYR 22 HH TYR 22 2.706 7.753 11.132 154 H LEU 23 H LEU 23 1.511 0.441 8.372 155 HA LEU 23 HA LEU 23 -0.342 -1.270 6.857 156 HB2 LEU 23 1HB LEU 23 2.651 -1.590 7.022 157 HB3 LEU 23 2HB LEU 23 1.539 -2.692 6.212 158 HG LEU 23 HG LEU 23 1.962 0.180 5.395 159 HD11 LEU 23 1HD1 LEU 23 4.030 -1.071 5.116 160 HD12 LEU 23 2HD1 LEU 23 3.295 -0.719 3.553 161 HD13 LEU 23 3HD1 LEU 23 3.163 -2.336 4.245 162 HD21 LEU 23 1HD2 LEU 23 0.293 -0.136 3.967 163 HD22 LEU 23 2HD2 LEU 23 -0.045 -1.671 4.769 164 HD23 LEU 23 3HD2 LEU 23 1.024 -1.625 3.366 165 H ARG 24 H ARG 24 -1.296 -2.708 8.123 166 HA ARG 24 HA ARG 24 0.135 -3.636 10.527 167 HB2 ARG 24 1HB ARG 24 -1.707 -2.234 11.204 168 HB3 ARG 24 2HB ARG 24 -2.814 -3.105 10.151 169 HG2 ARG 24 1HG ARG 24 -1.389 -4.658 12.236 170 HG3 ARG 24 2HG ARG 24 -2.678 -3.568 12.751 171 HD2 ARG 24 1HD ARG 24 -4.076 -4.684 10.906 172 HD3 ARG 24 2HD ARG 24 -2.834 -5.936 10.915 173 HE ARG 24 HE ARG 24 -4.897 -5.563 12.841 174 HH11 ARG 24 2HH1 ARG 24 -1.604 -6.623 12.449 175 HH12 ARG 24 1HH1 ARG 24 -1.643 -7.678 13.823 176 HH21 ARG 24 2HH2 ARG 24 -4.961 -6.949 14.652 177 HH22 ARG 24 1HH2 ARG 24 -3.553 -7.864 15.074 178 H ALA 25 H ALA 25 0.133 -5.799 10.971 179 HA ALA 25 HA ALA 25 -0.197 -7.612 8.855 180 HB1 ALA 25 1HB ALA 25 1.194 -8.637 10.268 181 HB2 ALA 25 2HB ALA 25 0.588 -7.733 11.657 182 HB3 ALA 25 3HB ALA 25 -0.256 -9.182 11.111 183 H GLY 26 H GLY 26 -2.180 -7.814 7.951 184 HA2 GLY 26 1HA GLY 26 -4.598 -7.851 9.478 185 HA3 GLY 26 2HA GLY 26 -4.444 -8.207 7.764 186 HA PRO 27 HA PRO 27 -5.599 -12.146 9.863 187 HB2 PRO 27 1HB PRO 27 -7.337 -12.924 7.928 188 HB3 PRO 27 2HB PRO 27 -7.798 -11.861 9.263 189 HG2 PRO 27 1HG PRO 27 -7.074 -11.157 6.445 190 HG3 PRO 27 2HG PRO 27 -8.384 -10.520 7.457 191 HD2 PRO 27 1HD PRO 27 -6.061 -9.184 7.069 192 HD3 PRO 27 2HD PRO 27 -6.982 -9.078 8.583 193 H GLU 28 H GLU 28 -5.670 -14.400 8.798 194 HA GLU 28 HA GLU 28 -3.264 -15.155 7.845 195 HB2 GLU 28 1HB GLU 28 -4.335 -17.153 6.890 196 HB3 GLU 28 2HB GLU 28 -4.979 -16.763 8.478 197 HG2 GLU 28 1HG GLU 28 -6.961 -15.819 7.500 198 HG3 GLU 28 2HG GLU 28 -6.305 -16.033 5.878 199 H GLN 29 H GLN 29 -5.907 -13.839 5.939 200 HA GLN 29 HA GLN 29 -5.266 -14.375 3.376 201 HB2 GLN 29 1HB GLN 29 -6.102 -11.739 4.576 202 HB3 GLN 29 2HB GLN 29 -5.986 -11.995 2.840 203 HG2 GLN 29 1HG GLN 29 -7.743 -13.565 4.713 204 HG3 GLN 29 2HG GLN 29 -8.274 -12.237 3.683 205 HE21 GLN 29 1HE2 GLN 29 -8.444 -15.404 3.917 206 HE22 GLN 29 2HE2 GLN 29 -8.423 -15.870 2.254 207 H LYS 30 H LYS 30 -3.998 -13.344 1.733 208 HA LYS 30 HA LYS 30 -1.366 -12.597 2.705 209 HB2 LYS 30 1HB LYS 30 -2.128 -12.754 -0.194 210 HB3 LYS 30 2HB LYS 30 -0.569 -13.068 0.557 211 HG2 LYS 30 1HG LYS 30 -2.924 -14.820 1.135 212 HG3 LYS 30 2HG LYS 30 -1.952 -15.052 -0.319 213 HD2 LYS 30 1HD LYS 30 -0.119 -15.755 0.853 214 HD3 LYS 30 2HD LYS 30 -0.531 -14.800 2.279 215 HE2 LYS 30 1HE LYS 30 -0.969 -16.921 3.039 216 HE3 LYS 30 2HE LYS 30 -2.555 -16.457 2.424 217 HZ1 LYS 30 1HZ LYS 30 -2.384 -18.416 1.363 218 HZ2 LYS 30 2HZ LYS 30 -0.694 -18.450 1.430 219 HZ3 LYS 30 3HZ LYS 30 -1.475 -17.530 0.245 220 H GLY 31 H GLY 31 -0.419 -10.627 2.504 221 HA2 GLY 31 1HA GLY 31 -0.221 -8.491 1.367 222 HA3 GLY 31 2HA GLY 31 -1.963 -8.518 1.134 223 H GLN 32 H GLN 32 -0.330 -6.435 2.335 224 HA GLN 32 HA GLN 32 -1.046 -6.540 5.161 225 HB2 GLN 32 1HB GLN 32 0.463 -4.415 3.629 226 HB3 GLN 32 2HB GLN 32 0.275 -4.496 5.376 227 HG2 GLN 32 1HG GLN 32 1.690 -6.548 3.690 228 HG3 GLN 32 2HG GLN 32 2.475 -5.269 4.614 229 HE21 GLN 32 1HE2 GLN 32 1.457 -8.435 4.649 230 HE22 GLN 32 2HE2 GLN 32 1.535 -8.726 6.350 231 H ILE 33 H ILE 33 -2.468 -5.141 6.149 232 HA ILE 33 HA ILE 33 -4.359 -3.822 4.346 233 HB ILE 33 HB ILE 33 -4.749 -4.149 7.307 234 HG12 ILE 33 1HG1 ILE 33 -5.282 -6.184 5.135 235 HG13 ILE 33 2HG1 ILE 33 -4.214 -6.369 6.522 236 HG21 ILE 33 1HG2 ILE 33 -6.978 -3.751 6.893 237 HG22 ILE 33 2HG2 ILE 33 -6.212 -2.730 5.677 238 HG23 ILE 33 3HG2 ILE 33 -6.876 -4.298 5.220 239 HD11 ILE 33 1HD1 ILE 33 -5.914 -6.825 7.938 240 HD12 ILE 33 2HD1 ILE 33 -7.053 -5.781 7.088 241 HD13 ILE 33 3HD1 ILE 33 -6.669 -7.377 6.443 242 H ILE 34 H ILE 34 -4.675 -1.670 4.301 243 HA ILE 34 HA ILE 34 -2.811 -0.003 5.777 244 HB ILE 34 HB ILE 34 -4.795 0.623 3.595 245 HG12 ILE 34 1HG1 ILE 34 -1.770 0.664 3.678 246 HG13 ILE 34 2HG1 ILE 34 -2.759 -0.567 2.901 247 HG21 ILE 34 1HG2 ILE 34 -4.837 2.687 4.479 248 HG22 ILE 34 2HG2 ILE 34 -3.405 2.402 5.467 249 HG23 ILE 34 3HG2 ILE 34 -3.231 2.835 3.766 250 HD11 ILE 34 1HD1 ILE 34 -3.461 2.049 1.942 251 HD12 ILE 34 2HD1 ILE 34 -1.733 1.750 1.757 252 HD13 ILE 34 3HD1 ILE 34 -2.901 0.634 1.051 253 H LYS 35 H LYS 35 -3.349 1.563 7.254 254 HA LYS 35 HA LYS 35 -6.061 2.246 7.862 255 HB2 LYS 35 1HB LYS 35 -5.677 1.414 10.330 256 HB3 LYS 35 2HB LYS 35 -6.327 0.330 9.107 257 HG2 LYS 35 1HG LYS 35 -3.921 -0.414 8.725 258 HG3 LYS 35 2HG LYS 35 -3.550 0.422 10.235 259 HD2 LYS 35 1HD LYS 35 -3.965 -1.706 11.003 260 HD3 LYS 35 2HD LYS 35 -5.568 -0.981 11.148 261 HE2 LYS 35 1HE LYS 35 -4.819 -2.346 8.605 262 HE3 LYS 35 2HE LYS 35 -5.236 -3.328 10.009 263 HZ1 LYS 35 1HZ LYS 35 -6.938 -1.808 8.283 264 HZ2 LYS 35 2HZ LYS 35 -7.200 -1.444 9.913 265 HZ3 LYS 35 3HZ LYS 35 -7.333 -3.041 9.371 266 H ASP 36 H ASP 36 -6.133 3.623 9.921 267 HA ASP 36 HA ASP 36 -5.481 5.560 10.926 268 HB2 ASP 36 1HB ASP 36 -3.097 3.779 11.112 269 HB3 ASP 36 2HB ASP 36 -2.899 5.471 11.563 270 H ILE 37 H ILE 37 -5.679 5.867 8.243 271 HA ILE 37 HA ILE 37 -3.342 6.884 6.997 272 HB ILE 37 HB ILE 37 -6.259 7.320 6.360 273 HG12 ILE 37 1HG1 ILE 37 -4.205 5.625 4.933 274 HG13 ILE 37 2HG1 ILE 37 -5.291 4.994 6.166 275 HG21 ILE 37 1HG2 ILE 37 -4.867 9.174 5.532 276 HG22 ILE 37 2HG2 ILE 37 -3.855 8.010 4.678 277 HG23 ILE 37 3HG2 ILE 37 -5.547 8.208 4.222 278 HD11 ILE 37 1HD1 ILE 37 -6.405 6.429 3.803 279 HD12 ILE 37 2HD1 ILE 37 -5.896 4.746 3.663 280 HD13 ILE 37 3HD1 ILE 37 -7.147 5.196 4.822 281 H GLU 38 H GLU 38 -2.598 8.957 6.752 282 HA GLU 38 HA GLU 38 -3.592 10.887 8.706 283 HB2 GLU 38 1HB GLU 38 -1.035 10.570 7.177 284 HB3 GLU 38 2HB GLU 38 -1.460 12.142 7.842 285 HG2 GLU 38 1HG GLU 38 -1.790 10.860 10.056 286 HG3 GLU 38 2HG GLU 38 -0.843 9.594 9.275 287 HA PRO 39 HA PRO 39 -5.660 13.336 5.688 288 HB2 PRO 39 1HB PRO 39 -5.673 15.708 7.009 289 HB3 PRO 39 2HB PRO 39 -6.714 14.353 7.459 290 HG2 PRO 39 1HG PRO 39 -4.120 15.232 8.668 291 HG3 PRO 39 2HG PRO 39 -5.607 14.700 9.474 292 HD2 PRO 39 1HD PRO 39 -3.469 13.073 9.142 293 HD3 PRO 39 2HD PRO 39 -5.138 12.468 9.144 294 H GLY 40 H GLY 40 -5.324 15.061 4.203 295 HA2 GLY 40 1HA GLY 40 -3.964 16.111 2.660 296 HA3 GLY 40 2HA GLY 40 -3.364 16.939 4.089 297 H SER 41 H SER 41 -2.911 13.521 3.837 298 HA SER 41 HA SER 41 -0.029 13.968 3.550 299 HB2 SER 41 1HB SER 41 0.314 11.920 4.652 300 HB3 SER 41 2HB SER 41 -1.086 12.606 5.477 301 HG SER 41 HG SER 41 -2.376 11.306 3.997 302 HA PRO 42 HA PRO 42 0.561 12.413 -0.494 303 HB2 PRO 42 1HB PRO 42 2.268 10.292 0.726 304 HB3 PRO 42 2HB PRO 42 2.634 11.412 -0.592 305 HG2 PRO 42 1HG PRO 42 3.611 11.790 1.875 306 HG3 PRO 42 2HG PRO 42 3.132 13.151 0.844 307 HD2 PRO 42 1HD PRO 42 1.801 12.020 3.227 308 HD3 PRO 42 2HD PRO 42 1.785 13.678 2.593 309 H ALA 43 H ALA 43 -0.277 10.169 2.065 310 HA ALA 43 HA ALA 43 -1.024 8.027 0.312 311 HB1 ALA 43 1HB ALA 43 -1.217 8.544 3.238 312 HB2 ALA 43 2HB ALA 43 -2.215 7.273 2.529 313 HB3 ALA 43 3HB ALA 43 -0.459 7.205 2.374 314 H GLU 44 H GLU 44 -2.914 10.208 2.415 315 HA GLU 44 HA GLU 44 -5.434 9.420 1.474 316 HB2 GLU 44 1HB GLU 44 -5.044 10.703 3.561 317 HB3 GLU 44 2HB GLU 44 -4.642 12.114 2.593 318 HG2 GLU 44 1HG GLU 44 -6.864 12.418 3.273 319 HG3 GLU 44 2HG GLU 44 -6.946 11.924 1.583 320 H ALA 45 H ALA 45 -3.275 12.026 0.434 321 HA ALA 45 HA ALA 45 -5.057 13.100 -1.504 322 HB1 ALA 45 1HB ALA 45 -3.043 14.281 -2.349 323 HB2 ALA 45 2HB ALA 45 -3.307 14.481 -0.616 324 HB3 ALA 45 3HB ALA 45 -2.071 13.365 -1.197 325 H ALA 46 H ALA 46 -2.641 10.571 -1.547 326 HA ALA 46 HA ALA 46 -2.292 10.323 -4.318 327 HB1 ALA 46 1HB ALA 46 -1.748 7.879 -3.681 328 HB2 ALA 46 2HB ALA 46 -0.731 9.172 -3.045 329 HB3 ALA 46 3HB ALA 46 -1.962 8.433 -2.021 330 H GLY 47 H GLY 47 -4.806 9.158 -2.172 331 HA2 GLY 47 1HA GLY 47 -7.015 8.877 -3.230 332 HA3 GLY 47 2HA GLY 47 -6.188 8.033 -4.531 333 H LEU 48 H LEU 48 -4.763 7.218 -1.634 334 HA LEU 48 HA LEU 48 -5.436 4.535 -1.731 335 HB2 LEU 48 1HB LEU 48 -4.289 6.334 0.329 336 HB3 LEU 48 2HB LEU 48 -4.864 4.755 0.861 337 HG LEU 48 HG LEU 48 -2.717 5.296 -1.188 338 HD11 LEU 48 1HD1 LEU 48 -1.276 4.162 0.461 339 HD12 LEU 48 2HD1 LEU 48 -2.631 4.125 1.588 340 HD13 LEU 48 3HD1 LEU 48 -1.957 5.670 1.071 341 HD21 LEU 48 1HD2 LEU 48 -3.163 3.284 -2.015 342 HD22 LEU 48 2HD2 LEU 48 -4.408 3.002 -0.797 343 HD23 LEU 48 3HD2 LEU 48 -2.726 2.598 -0.450 344 H LYS 49 H LYS 49 -6.361 3.547 0.543 345 HA LYS 49 HA LYS 49 -8.742 4.861 1.466 346 HB2 LYS 49 1HB LYS 49 -8.905 2.555 -0.456 347 HB3 LYS 49 2HB LYS 49 -10.183 2.851 0.715 348 HG2 LYS 49 1HG LYS 49 -10.046 5.290 -0.307 349 HG3 LYS 49 2HG LYS 49 -9.415 4.398 -1.694 350 HD2 LYS 49 1HD LYS 49 -11.389 3.209 -1.985 351 HD3 LYS 49 2HD LYS 49 -11.924 3.498 -0.328 352 HE2 LYS 49 1HE LYS 49 -13.253 4.822 -1.843 353 HE3 LYS 49 2HE LYS 49 -12.228 5.886 -0.882 354 HZ1 LYS 49 1HZ LYS 49 -11.014 5.055 -3.350 355 HZ2 LYS 49 2HZ LYS 49 -11.168 6.604 -2.690 356 HZ3 LYS 49 3HZ LYS 49 -12.442 5.933 -3.578 357 H ASN 50 H ASN 50 -9.254 4.176 3.464 358 HA ASN 50 HA ASN 50 -7.578 2.554 4.947 359 HB2 ASN 50 1HB ASN 50 -10.459 3.338 5.378 360 HB3 ASN 50 2HB ASN 50 -9.548 2.411 6.566 361 HD21 ASN 50 1HD2 ASN 50 -7.320 3.425 7.031 362 HD22 ASN 50 2HD2 ASN 50 -7.334 5.127 7.328 363 H ASN 51 H ASN 51 -7.637 0.430 5.651 364 HA ASN 51 HA ASN 51 -8.091 -1.802 5.621 365 HB2 ASN 51 1HB ASN 51 -10.670 -1.287 4.166 366 HB3 ASN 51 2HB ASN 51 -10.292 -2.556 5.327 367 HD21 ASN 51 1HD2 ASN 51 -10.838 -2.262 7.380 368 HD22 ASN 51 2HD2 ASN 51 -11.394 -0.776 8.064 369 H ASP 52 H ASP 52 -6.714 -0.435 3.461 370 HA ASP 52 HA ASP 52 -7.487 -1.875 1.054 371 HB2 ASP 52 1HB ASP 52 -5.622 0.355 1.695 372 HB3 ASP 52 2HB ASP 52 -5.247 -0.640 0.291 373 H LEU 53 H LEU 53 -6.757 -3.843 0.638 374 HA LEU 53 HA LEU 53 -4.431 -4.856 2.074 375 HB2 LEU 53 1HB LEU 53 -6.505 -6.179 2.001 376 HB3 LEU 53 2HB LEU 53 -6.363 -6.277 0.247 377 HG LEU 53 HG LEU 53 -4.078 -7.407 0.753 378 HD11 LEU 53 1HD1 LEU 53 -4.122 -6.888 3.165 379 HD12 LEU 53 2HD1 LEU 53 -3.984 -8.616 2.839 380 HD13 LEU 53 3HD1 LEU 53 -5.531 -7.934 3.341 381 HD21 LEU 53 1HD2 LEU 53 -5.155 -9.207 0.024 382 HD22 LEU 53 2HD2 LEU 53 -6.670 -8.339 0.271 383 HD23 LEU 53 3HD2 LEU 53 -6.025 -9.370 1.549 384 H VAL 54 H VAL 54 -2.480 -4.871 1.192 385 HA VAL 54 HA VAL 54 -2.224 -4.514 -1.706 386 HB VAL 54 HB VAL 54 -0.049 -4.310 0.377 387 HG11 VAL 54 1HG1 VAL 54 0.511 -2.702 -1.834 388 HG12 VAL 54 2HG1 VAL 54 1.285 -4.228 -1.401 389 HG13 VAL 54 3HG1 VAL 54 -0.093 -4.218 -2.503 390 HG21 VAL 54 1HG2 VAL 54 -0.530 -2.129 0.752 391 HG22 VAL 54 2HG2 VAL 54 -1.153 -1.871 -0.877 392 HG23 VAL 54 3HG2 VAL 54 -2.160 -2.658 0.338 393 H VAL 55 H VAL 55 -1.480 -6.074 -3.000 394 HA VAL 55 HA VAL 55 -0.458 -8.533 -1.743 395 HB VAL 55 HB VAL 55 -1.142 -9.672 -3.856 396 HG11 VAL 55 1HG1 VAL 55 -3.317 -8.240 -2.334 397 HG12 VAL 55 2HG1 VAL 55 -3.554 -9.660 -3.354 398 HG13 VAL 55 3HG1 VAL 55 -2.566 -9.774 -1.897 399 HG21 VAL 55 1HG2 VAL 55 -2.425 -7.007 -4.447 400 HG22 VAL 55 2HG2 VAL 55 -1.123 -7.772 -5.358 401 HG23 VAL 55 3HG2 VAL 55 -2.730 -8.499 -5.336 402 H ALA 56 H ALA 56 0.201 -6.028 -4.045 403 HA ALA 56 HA ALA 56 2.878 -7.151 -4.451 404 HB1 ALA 56 1HB ALA 56 1.092 -7.475 -6.403 405 HB2 ALA 56 2HB ALA 56 1.645 -5.850 -6.807 406 HB3 ALA 56 3HB ALA 56 2.802 -7.178 -6.718 407 H VAL 57 H VAL 57 4.503 -5.615 -4.890 408 HA VAL 57 HA VAL 57 3.727 -2.792 -4.674 409 HB VAL 57 HB VAL 57 5.880 -4.101 -3.006 410 HG11 VAL 57 1HG1 VAL 57 6.100 -1.645 -3.974 411 HG12 VAL 57 2HG1 VAL 57 5.039 -1.280 -2.613 412 HG13 VAL 57 3HG1 VAL 57 6.603 -2.046 -2.333 413 HG21 VAL 57 1HG2 VAL 57 4.521 -3.625 -1.107 414 HG22 VAL 57 2HG2 VAL 57 3.365 -2.721 -2.084 415 HG23 VAL 57 3HG2 VAL 57 3.507 -4.468 -2.279 416 H ASN 58 H ASN 58 4.534 -1.774 -6.377 417 HA ASN 58 HA ASN 58 5.917 -1.120 -8.059 418 HB2 ASN 58 1HB ASN 58 7.792 -2.034 -5.935 419 HB3 ASN 58 2HB ASN 58 8.459 -1.779 -7.545 420 HD21 ASN 58 1HD2 ASN 58 9.223 -0.286 -5.339 421 HD22 ASN 58 2HD2 ASN 58 8.702 1.346 -5.561 422 H GLY 59 H GLY 59 4.590 -3.561 -8.401 423 HA2 GLY 59 1HA GLY 59 4.562 -5.268 -9.944 424 HA3 GLY 59 2HA GLY 59 6.106 -4.673 -10.539 425 H LYS 60 H LYS 60 5.405 -5.739 -7.251 426 HA LYS 60 HA LYS 60 6.921 -8.200 -7.702 427 HB2 LYS 60 1HB LYS 60 7.593 -6.158 -5.576 428 HB3 LYS 60 2HB LYS 60 8.281 -7.774 -5.667 429 HG2 LYS 60 1HG LYS 60 9.082 -7.122 -7.995 430 HG3 LYS 60 2HG LYS 60 8.685 -5.465 -7.537 431 HD2 LYS 60 1HD LYS 60 10.347 -7.074 -5.668 432 HD3 LYS 60 2HD LYS 60 11.101 -6.482 -7.151 433 HE2 LYS 60 1HE LYS 60 11.465 -4.880 -5.396 434 HE3 LYS 60 2HE LYS 60 10.340 -4.197 -6.568 435 HZ1 LYS 60 1HZ LYS 60 9.414 -5.558 -4.109 436 HZ2 LYS 60 2HZ LYS 60 8.542 -4.525 -5.125 437 HZ3 LYS 60 3HZ LYS 60 9.769 -3.904 -4.140 438 H SER 61 H SER 61 6.218 -9.900 -6.519 439 HA SER 61 HA SER 61 3.730 -9.682 -5.164 440 HB2 SER 61 1HB SER 61 4.200 -12.123 -4.581 441 HB3 SER 61 2HB SER 61 4.143 -11.727 -6.299 442 HG SER 61 HG SER 61 6.243 -12.068 -6.467 443 H VAL 62 H VAL 62 3.354 -9.145 -3.126 444 HA VAL 62 HA VAL 62 5.495 -9.548 -1.140 445 HB VAL 62 HB VAL 62 5.023 -7.504 -0.078 446 HG11 VAL 62 1HG1 VAL 62 5.191 -7.351 -3.043 447 HG12 VAL 62 2HG1 VAL 62 4.944 -5.857 -2.137 448 HG13 VAL 62 3HG1 VAL 62 6.360 -6.860 -1.818 449 HG21 VAL 62 1HG2 VAL 62 2.629 -7.552 -0.055 450 HG22 VAL 62 2HG2 VAL 62 3.137 -6.033 -0.794 451 HG23 VAL 62 3HG2 VAL 62 2.558 -7.356 -1.806 452 H GLU 63 H GLU 63 2.278 -10.113 -2.039 453 HA GLU 63 HA GLU 63 0.885 -10.225 0.344 454 HB2 GLU 63 1HB GLU 63 -0.702 -11.482 -0.771 455 HB3 GLU 63 2HB GLU 63 0.143 -10.722 -2.112 456 HG2 GLU 63 1HG GLU 63 1.597 -12.937 -1.941 457 HG3 GLU 63 2HG GLU 63 0.094 -13.553 -1.257 458 H ALA 64 H ALA 64 3.360 -12.346 -0.859 459 HA ALA 64 HA ALA 64 2.820 -14.441 1.054 460 HB1 ALA 64 1HB ALA 64 5.446 -14.469 -0.223 461 HB2 ALA 64 2HB ALA 64 4.182 -15.698 -0.198 462 HB3 ALA 64 3HB ALA 64 4.103 -14.375 -1.362 463 H LEU 65 H LEU 65 4.723 -11.562 0.902 464 HA LEU 65 HA LEU 65 6.596 -12.280 2.941 465 HB2 LEU 65 1HB LEU 65 5.892 -9.825 1.435 466 HB3 LEU 65 2HB LEU 65 6.722 -9.620 2.976 467 HG LEU 65 HG LEU 65 7.797 -11.354 0.762 468 HD11 LEU 65 1HD1 LEU 65 9.325 -9.417 0.316 469 HD12 LEU 65 2HD1 LEU 65 8.239 -8.424 1.286 470 HD13 LEU 65 3HD1 LEU 65 7.653 -9.184 -0.193 471 HD21 LEU 65 1HD2 LEU 65 9.627 -11.634 2.051 472 HD22 LEU 65 2HD2 LEU 65 8.498 -11.287 3.361 473 HD23 LEU 65 3HD2 LEU 65 9.534 -10.008 2.727 474 H ASP 66 H ASP 66 6.728 -10.492 4.824 475 HA ASP 66 HA ASP 66 4.097 -10.543 6.152 476 HB2 ASP 66 1HB ASP 66 5.658 -10.390 8.271 477 HB3 ASP 66 2HB ASP 66 5.343 -11.941 7.498 478 H HIS 67 H HIS 67 4.326 -8.906 8.186 479 HA HIS 67 HA HIS 67 3.890 -6.393 7.349 480 HB2 HIS 67 1HB HIS 67 3.604 -7.032 9.676 481 HB3 HIS 67 2HB HIS 67 5.347 -7.174 9.882 482 HD1 HIS 67 1HD HIS 67 2.879 -5.043 10.941 483 HD2 HIS 67 2HD HIS 67 6.433 -4.361 8.901 484 HE1 HIS 67 1HE HIS 67 3.438 -2.626 11.354 485 HE2 HIS 67 2HE HIS 67 5.547 -2.214 10.039 486 H ASP 68 H ASP 68 7.069 -7.206 8.745 487 HA ASP 68 HA ASP 68 8.413 -4.949 7.874 488 HB2 ASP 68 1HB ASP 68 9.336 -7.734 8.524 489 HB3 ASP 68 2HB ASP 68 10.480 -6.515 7.970 490 H GLY 69 H GLY 69 8.491 -8.169 6.328 491 HA2 GLY 69 1HA GLY 69 9.982 -7.702 4.123 492 HA3 GLY 69 2HA GLY 69 8.541 -8.707 4.077 493 H VAL 70 H VAL 70 6.444 -7.238 4.073 494 HA VAL 70 HA VAL 70 6.343 -5.987 1.580 495 HB VAL 70 HB VAL 70 4.453 -5.526 3.891 496 HG11 VAL 70 1HG1 VAL 70 4.176 -3.930 2.068 497 HG12 VAL 70 2HG1 VAL 70 4.052 -5.259 0.913 498 HG13 VAL 70 3HG1 VAL 70 2.809 -5.041 2.146 499 HG21 VAL 70 1HG2 VAL 70 4.395 -7.821 3.676 500 HG22 VAL 70 2HG2 VAL 70 3.138 -7.331 2.540 501 HG23 VAL 70 3HG2 VAL 70 4.739 -7.775 1.947 502 H VAL 71 H VAL 71 6.420 -4.532 4.828 503 HA VAL 71 HA VAL 71 6.391 -1.852 3.981 504 HB VAL 71 HB VAL 71 7.610 -2.990 6.501 505 HG11 VAL 71 1HG1 VAL 71 7.150 -0.237 5.516 506 HG12 VAL 71 2HG1 VAL 71 6.779 -0.554 7.212 507 HG13 VAL 71 3HG1 VAL 71 8.400 -0.865 6.590 508 HG21 VAL 71 1HG2 VAL 71 4.969 -3.086 5.685 509 HG22 VAL 71 2HG2 VAL 71 5.558 -3.250 7.339 510 HG23 VAL 71 3HG2 VAL 71 5.033 -1.676 6.743 511 H GLU 72 H GLU 72 8.844 -4.215 3.842 512 HA GLU 72 HA GLU 72 11.070 -2.390 3.907 513 HB2 GLU 72 1HB GLU 72 11.110 -4.863 4.559 514 HB3 GLU 72 2HB GLU 72 11.109 -5.205 2.835 515 HG2 GLU 72 1HG GLU 72 13.342 -5.243 3.226 516 HG3 GLU 72 2HG GLU 72 13.144 -3.532 2.850 517 H MET 73 H MET 73 9.494 -4.346 1.381 518 HA MET 73 HA MET 73 10.998 -3.523 -0.790 519 HB2 MET 73 1HB MET 73 8.038 -4.135 -0.758 520 HB3 MET 73 2HB MET 73 9.075 -4.145 -2.178 521 HG2 MET 73 1HG MET 73 9.772 -5.886 0.132 522 HG3 MET 73 2HG MET 73 8.458 -6.362 -0.941 523 HE1 MET 73 1HE MET 73 9.759 -8.674 -1.932 524 HE2 MET 73 2HE MET 73 8.655 -7.622 -2.818 525 HE3 MET 73 3HE MET 73 10.135 -8.196 -3.587 526 H ILE 74 H ILE 74 8.141 -1.995 0.641 527 HA ILE 74 HA ILE 74 7.743 0.018 -1.241 528 HB ILE 74 HB ILE 74 7.288 0.174 1.741 529 HG12 ILE 74 1HG1 ILE 74 5.241 -0.438 -0.382 530 HG13 ILE 74 2HG1 ILE 74 6.179 -1.711 0.390 531 HG21 ILE 74 1HG2 ILE 74 6.456 2.217 1.462 532 HG22 ILE 74 2HG2 ILE 74 7.141 2.199 -0.163 533 HG23 ILE 74 3HG2 ILE 74 5.471 1.694 0.096 534 HD11 ILE 74 1HD1 ILE 74 4.170 0.137 1.621 535 HD12 ILE 74 2HD1 ILE 74 4.171 -1.626 1.574 536 HD13 ILE 74 3HD1 ILE 74 5.327 -0.770 2.594 537 H ARG 75 H ARG 75 9.924 -0.112 1.531 538 HA ARG 75 HA ARG 75 10.785 2.592 1.341 539 HB2 ARG 75 1HB ARG 75 11.677 0.160 2.813 540 HB3 ARG 75 2HB ARG 75 12.821 1.486 2.653 541 HG2 ARG 75 1HG ARG 75 11.467 2.956 3.864 542 HG3 ARG 75 2HG ARG 75 10.042 1.932 3.679 543 HD2 ARG 75 1HD ARG 75 10.710 0.471 5.318 544 HD3 ARG 75 2HD ARG 75 12.421 0.828 5.086 545 HE ARG 75 HE ARG 75 10.860 3.007 6.160 546 HH11 ARG 75 2HH1 ARG 75 12.817 0.215 6.864 547 HH12 ARG 75 1HH1 ARG 75 13.227 0.744 8.462 548 HH21 ARG 75 2HH2 ARG 75 11.392 3.713 8.263 549 HH22 ARG 75 1HH2 ARG 75 12.415 2.733 9.257 550 H LYS 76 H LYS 76 11.634 -0.322 -0.302 551 HA LYS 76 HA LYS 76 14.221 0.501 -1.187 552 HB2 LYS 76 1HB LYS 76 12.389 -1.568 -2.410 553 HB3 LYS 76 2HB LYS 76 14.123 -1.421 -2.666 554 HG2 LYS 76 1HG LYS 76 13.104 -1.804 0.105 555 HG3 LYS 76 2HG LYS 76 13.150 -3.183 -0.995 556 HD2 LYS 76 1HD LYS 76 15.562 -1.442 -0.698 557 HD3 LYS 76 2HD LYS 76 15.202 -2.654 0.533 558 HE2 LYS 76 1HE LYS 76 15.323 -3.316 -2.397 559 HE3 LYS 76 2HE LYS 76 16.750 -3.354 -1.362 560 HZ1 LYS 76 1HZ LYS 76 16.016 -5.512 -1.256 561 HZ2 LYS 76 2HZ LYS 76 14.378 -5.092 -1.314 562 HZ3 LYS 76 3HZ LYS 76 15.262 -4.855 0.109 563 H GLY 77 H GLY 77 10.991 1.132 -2.211 564 HA2 GLY 77 1HA GLY 77 11.598 1.791 -4.930 565 HA3 GLY 77 2HA GLY 77 10.118 2.186 -4.067 566 H GLY 78 H GLY 78 12.637 3.259 -2.215 567 HA2 GLY 78 1HA GLY 78 13.684 5.298 -1.934 568 HA3 GLY 78 2HA GLY 78 13.267 5.691 -3.595 569 H ASP 79 H ASP 79 12.591 7.771 -3.188 570 HA ASP 79 HA ASP 79 10.938 8.617 -1.115 571 HB2 ASP 79 1HB ASP 79 10.273 10.441 -2.869 572 HB3 ASP 79 2HB ASP 79 11.929 10.363 -2.274 573 H GLN 80 H GLN 80 9.997 7.813 -4.460 574 HA GLN 80 HA GLN 80 7.224 7.527 -3.537 575 HB2 GLN 80 1HB GLN 80 6.526 7.869 -5.783 576 HB3 GLN 80 2HB GLN 80 7.759 9.079 -5.455 577 HG2 GLN 80 1HG GLN 80 9.384 7.371 -6.508 578 HG3 GLN 80 2HG GLN 80 7.923 6.636 -7.166 579 HE21 GLN 80 1HE2 GLN 80 6.410 8.286 -8.212 580 HE22 GLN 80 2HE2 GLN 80 7.161 9.440 -9.256 581 H THR 81 H THR 81 5.958 5.731 -4.329 582 HA THR 81 HA THR 81 7.296 3.462 -5.493 583 HB THR 81 HB THR 81 8.015 3.132 -3.207 584 HG1 THR 81 1HG THR 81 6.866 1.366 -4.587 585 HG21 THR 81 1HG2 THR 81 5.265 3.959 -2.616 586 HG22 THR 81 2HG2 THR 81 6.723 4.087 -1.632 587 HG23 THR 81 3HG2 THR 81 5.820 2.574 -1.677 588 H THR 82 H THR 82 5.886 2.100 -6.481 589 HA THR 82 HA THR 82 3.093 2.899 -6.499 590 HB THR 82 HB THR 82 4.545 0.836 -8.168 591 HG1 THR 82 1HG THR 82 3.958 3.574 -8.493 592 HG21 THR 82 1HG2 THR 82 2.075 0.462 -7.871 593 HG22 THR 82 2HG2 THR 82 2.591 0.726 -9.537 594 HG23 THR 82 3HG2 THR 82 1.815 2.028 -8.637 595 H LEU 83 H LEU 83 1.447 1.786 -5.625 596 HA LEU 83 HA LEU 83 2.074 -0.804 -4.367 597 HB2 LEU 83 1HB LEU 83 -0.237 0.824 -3.457 598 HB3 LEU 83 2HB LEU 83 0.798 -0.273 -2.546 599 HG LEU 83 HG LEU 83 1.400 2.566 -3.358 600 HD11 LEU 83 1HD1 LEU 83 1.721 1.781 -0.580 601 HD12 LEU 83 2HD1 LEU 83 0.072 1.559 -1.164 602 HD13 LEU 83 3HD1 LEU 83 0.843 3.141 -1.280 603 HD21 LEU 83 1HD2 LEU 83 3.280 0.650 -3.364 604 HD22 LEU 83 2HD2 LEU 83 3.286 1.070 -1.651 605 HD23 LEU 83 3HD2 LEU 83 3.590 2.313 -2.865 606 H LEU 84 H LEU 84 0.321 -2.357 -4.244 607 HA LEU 84 HA LEU 84 -1.724 -1.998 -6.329 608 HB2 LEU 84 1HB LEU 84 0.095 -3.416 -7.165 609 HB3 LEU 84 2HB LEU 84 -0.131 -4.503 -5.796 610 HG LEU 84 HG LEU 84 -2.334 -5.121 -6.626 611 HD11 LEU 84 1HD1 LEU 84 -1.936 -2.784 -8.293 612 HD12 LEU 84 2HD1 LEU 84 -3.421 -3.640 -7.881 613 HD13 LEU 84 3HD1 LEU 84 -2.429 -4.196 -9.228 614 HD21 LEU 84 1HD2 LEU 84 -0.293 -5.303 -8.836 615 HD22 LEU 84 2HD2 LEU 84 -1.642 -6.399 -8.533 616 HD23 LEU 84 3HD2 LEU 84 -0.295 -6.321 -7.396 617 H VAL 85 H VAL 85 -3.485 -1.727 -5.064 618 HA VAL 85 HA VAL 85 -3.999 -3.740 -2.977 619 HB VAL 85 HB VAL 85 -5.271 -2.202 -1.782 620 HG11 VAL 85 1HG1 VAL 85 -2.695 -1.541 -2.457 621 HG12 VAL 85 2HG1 VAL 85 -3.574 -0.040 -2.758 622 HG13 VAL 85 3HG1 VAL 85 -3.642 -0.800 -1.167 623 HG21 VAL 85 1HG2 VAL 85 -5.473 -0.640 -4.345 624 HG22 VAL 85 2HG2 VAL 85 -6.772 -1.409 -3.432 625 HG23 VAL 85 3HG2 VAL 85 -5.961 0.016 -2.782 626 H LEU 86 H LEU 86 -6.041 -4.713 -2.840 627 HA LEU 86 HA LEU 86 -7.425 -4.900 -5.395 628 HB2 LEU 86 1HB LEU 86 -7.219 -6.560 -2.954 629 HB3 LEU 86 2HB LEU 86 -8.731 -6.655 -3.855 630 HG LEU 86 HG LEU 86 -6.867 -8.374 -4.336 631 HD11 LEU 86 1HD1 LEU 86 -8.941 -7.295 -5.847 632 HD12 LEU 86 2HD1 LEU 86 -8.111 -8.827 -6.118 633 HD13 LEU 86 3HD1 LEU 86 -7.564 -7.369 -6.946 634 HD21 LEU 86 1HD2 LEU 86 -5.194 -7.739 -5.909 635 HD22 LEU 86 2HD2 LEU 86 -5.104 -6.608 -4.559 636 HD23 LEU 86 3HD2 LEU 86 -5.874 -6.120 -6.070 637 H ASP 87 H ASP 87 -9.733 -4.772 -5.557 638 HA ASP 87 HA ASP 87 -10.866 -2.827 -3.670 639 HB2 ASP 87 1HB ASP 87 -10.861 -2.031 -5.943 640 HB3 ASP 87 2HB ASP 87 -11.612 -3.518 -6.516 641 H LYS 88 H LYS 88 -11.732 -5.765 -5.474 642 HA LYS 88 HA LYS 88 -14.198 -6.137 -4.086 643 HB2 LYS 88 1HB LYS 88 -14.185 -8.375 -5.175 644 HB3 LYS 88 2HB LYS 88 -13.954 -7.046 -6.303 645 HG2 LYS 88 1HG LYS 88 -12.334 -8.430 -7.062 646 HG3 LYS 88 2HG LYS 88 -11.401 -7.589 -5.822 647 HD2 LYS 88 1HD LYS 88 -10.912 -9.793 -5.350 648 HD3 LYS 88 2HD LYS 88 -12.278 -9.498 -4.272 649 HE2 LYS 88 1HE LYS 88 -12.780 -10.533 -7.026 650 HE3 LYS 88 2HE LYS 88 -12.202 -11.639 -5.781 651 HZ1 LYS 88 1HZ LYS 88 -14.740 -10.145 -5.891 652 HZ2 LYS 88 2HZ LYS 88 -14.122 -10.662 -4.404 653 HZ3 LYS 88 3HZ LYS 88 -14.486 -11.793 -5.607 654 H GLU 89 H GLU 89 -10.912 -6.950 -3.449 655 HA GLU 89 HA GLU 89 -11.688 -8.865 -1.369 656 HB2 GLU 89 1HB GLU 89 -9.204 -8.351 -2.915 657 HB3 GLU 89 2HB GLU 89 -9.013 -8.929 -1.266 658 HG2 GLU 89 1HG GLU 89 -10.571 -10.288 -3.453 659 HG3 GLU 89 2HG GLU 89 -8.989 -10.769 -2.842 660 H ALA 90 H ALA 90 -11.562 -5.696 -1.528 661 HA ALA 90 HA ALA 90 -9.867 -5.079 0.724 662 HB1 ALA 90 1HB ALA 90 -11.010 -3.622 -1.381 663 HB2 ALA 90 2HB ALA 90 -11.717 -2.977 0.101 664 HB3 ALA 90 3HB ALA 90 -9.964 -3.019 -0.095 665 H GLU 91 H GLU 91 -13.364 -5.179 0.095 666 HA GLU 91 HA GLU 91 -14.039 -4.556 2.813 667 HB2 GLU 91 1HB GLU 91 -15.588 -5.365 0.377 668 HB3 GLU 91 2HB GLU 91 -16.363 -5.389 1.955 669 HG2 GLU 91 1HG GLU 91 -16.766 -3.307 0.711 670 HG3 GLU 91 2HG GLU 91 -15.956 -3.043 2.254 671 H SER 92 H SER 92 -14.162 -5.907 4.475 672 HA SER 92 HA SER 92 -13.912 -8.777 3.975 673 HB2 SER 92 1HB SER 92 -13.571 -7.126 6.487 674 HB3 SER 92 2HB SER 92 -13.445 -8.884 6.444 675 HG SER 92 HG SER 92 -11.736 -6.944 5.368 676 H ILE 93 H ILE 93 -15.643 -10.033 4.019 677 HA ILE 93 HA ILE 93 -18.221 -9.149 4.674 678 HB ILE 93 HB ILE 93 -17.238 -12.003 4.560 679 HG12 ILE 93 1HG1 ILE 93 -18.616 -10.505 2.344 680 HG13 ILE 93 2HG1 ILE 93 -16.866 -10.454 2.525 681 HG21 ILE 93 1HG2 ILE 93 -19.314 -12.263 5.461 682 HG22 ILE 93 2HG2 ILE 93 -19.920 -10.755 4.781 683 HG23 ILE 93 3HG2 ILE 93 -19.758 -12.181 3.757 684 HD11 ILE 93 1HD1 ILE 93 -18.259 -13.086 2.433 685 HD12 ILE 93 2HD1 ILE 93 -17.967 -12.190 0.943 686 HD13 ILE 93 3HD1 ILE 93 -16.612 -12.666 1.965 687 H TYR 94 H TYR 94 -19.594 -9.649 6.412 688 HA TYR 94 HA TYR 94 -18.732 -9.255 8.940 689 HB2 TYR 94 1HB TYR 94 -20.820 -9.999 9.717 690 HB3 TYR 94 2HB TYR 94 -21.138 -9.493 8.062 691 HD1 TYR 94 2HD TYR 94 -21.149 -11.323 6.256 692 HD2 TYR 94 1HD TYR 94 -21.389 -12.152 10.422 693 HE1 TYR 94 2HE TYR 94 -22.090 -13.539 5.755 694 HE2 TYR 94 1HE TYR 94 -22.330 -14.371 9.932 695 HH TYR 94 HH TYR 94 -23.547 -15.493 8.108 696 H SER 95 H SER 95 -18.135 -10.492 10.722 697 HA SER 95 HA SER 95 -17.698 -13.344 10.400 698 HB2 SER 95 1HB SER 95 -15.644 -12.278 9.472 699 HB3 SER 95 2HB SER 95 -15.380 -11.501 11.034 700 HG SER 95 HG SER 95 -14.389 -13.720 10.430 701 H LEU 96 H LEU 96 -18.083 -14.373 12.255 702 HA LEU 96 HA LEU 96 -18.417 -12.772 14.678 703 HB2 LEU 96 1HB LEU 96 -19.449 -15.396 13.722 704 HB3 LEU 96 2HB LEU 96 -19.339 -15.116 15.459 705 HG LEU 96 HG LEU 96 -20.769 -13.142 13.728 706 HD11 LEU 96 1HD1 LEU 96 -22.250 -15.431 14.937 707 HD12 LEU 96 2HD1 LEU 96 -21.512 -15.612 13.346 708 HD13 LEU 96 3HD1 LEU 96 -22.719 -14.356 13.621 709 HD21 LEU 96 1HD2 LEU 96 -21.939 -12.629 15.720 710 HD22 LEU 96 2HD2 LEU 96 -20.238 -12.764 16.166 711 HD23 LEU 96 3HD2 LEU 96 -21.352 -14.084 16.525 712 H SER 97 H SER 97 -17.007 -12.832 16.298 713 HA SER 97 HA SER 97 -15.005 -14.993 16.319 714 HB2 SER 97 1HB SER 97 -14.811 -12.066 16.902 715 HB3 SER 97 2HB SER 97 -13.732 -13.172 17.750 716 HG SER 97 HG SER 97 -12.602 -13.304 15.996 717 H GLY 98 H GLY 98 -14.319 -15.822 18.347 718 HA2 GLY 98 1HA GLY 98 -14.471 -16.156 20.668 719 HA3 GLY 98 2HA GLY 98 -15.848 -15.065 20.712 720 HA PRO 99 HA PRO 99 -17.355 -19.478 19.310 721 HB2 PRO 99 1HB PRO 99 -15.739 -21.506 20.114 722 HB3 PRO 99 2HB PRO 99 -15.587 -20.724 18.536 723 HG2 PRO 99 1HG PRO 99 -14.003 -20.271 21.035 724 HG3 PRO 99 2HG PRO 99 -13.437 -20.397 19.359 725 HD2 PRO 99 1HD PRO 99 -13.753 -18.019 20.614 726 HD3 PRO 99 2HD PRO 99 -14.009 -18.219 18.869 727 H SER 100 H SER 100 -18.057 -21.453 20.664 728 HA SER 100 HA SER 100 -19.285 -20.655 22.973 729 HB2 SER 100 1HB SER 100 -19.572 -23.039 23.513 730 HB3 SER 100 2HB SER 100 -19.842 -22.740 21.796 731 HG SER 100 HG SER 100 -17.273 -23.447 22.661 732 H SER 101 H SER 101 -18.593 -20.065 24.909 733 HA SER 101 HA SER 101 -16.002 -21.107 25.855 734 HB2 SER 101 1HB SER 101 -16.013 -18.662 25.299 735 HB3 SER 101 2HB SER 101 -17.225 -18.430 26.559 736 HG SER 101 HG SER 101 -15.640 -18.369 27.919 737 H GLY 102 H GLY 102 -15.875 -21.922 27.893 738 HA2 GLY 102 1HA GLY 102 -16.563 -22.712 29.939 739 HA3 GLY 102 2HA GLY 102 -17.756 -21.421 29.950 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -4.413 1.298 -22.352 2 HA2 GLY 1 1HA GLY 1 -1.539 0.672 -22.627 3 HA3 GLY 1 2HA GLY 1 -2.124 1.847 -21.459 4 H SER 2 H SER 2 -2.400 1.138 -19.456 5 HA SER 2 HA SER 2 -2.591 -1.765 -19.029 6 HB2 SER 2 1HB SER 2 -1.651 0.430 -17.169 7 HB3 SER 2 2HB SER 2 -1.771 -1.274 -16.730 8 HG SER 2 HG SER 2 -0.108 -1.746 -18.032 9 H SER 3 H SER 3 -4.636 -2.388 -18.786 10 HA SER 3 HA SER 3 -6.362 -0.804 -16.999 11 HB2 SER 3 1HB SER 3 -7.103 -2.227 -19.561 12 HB3 SER 3 2HB SER 3 -8.294 -1.652 -18.394 13 HG SER 3 HG SER 3 -6.356 0.155 -19.265 14 H GLY 4 H GLY 4 -5.851 -2.087 -15.209 15 HA2 GLY 4 1HA GLY 4 -6.601 -4.930 -15.393 16 HA3 GLY 4 2HA GLY 4 -5.561 -4.233 -14.159 17 H SER 5 H SER 5 -8.879 -4.499 -15.293 18 HA SER 5 HA SER 5 -10.321 -3.040 -13.540 19 HB2 SER 5 1HB SER 5 -10.895 -5.902 -14.345 20 HB3 SER 5 2HB SER 5 -12.074 -4.797 -13.639 21 HG SER 5 HG SER 5 -11.132 -4.950 -16.204 22 H SER 6 H SER 6 -8.929 -6.232 -12.847 23 HA SER 6 HA SER 6 -9.798 -6.141 -10.094 24 HB2 SER 6 1HB SER 6 -9.439 -8.228 -11.666 25 HB3 SER 6 2HB SER 6 -7.778 -8.116 -11.086 26 HG SER 6 HG SER 6 -8.411 -8.941 -9.270 27 H GLY 7 H GLY 7 -8.749 -5.116 -8.533 28 HA2 GLY 7 1HA GLY 7 -6.946 -4.506 -7.194 29 HA3 GLY 7 2HA GLY 7 -5.858 -5.185 -8.396 30 H ARG 8 H ARG 8 -6.807 -2.384 -6.958 31 HA ARG 8 HA ARG 8 -6.515 -0.667 -9.283 32 HB2 ARG 8 1HB ARG 8 -6.965 1.168 -7.747 33 HB3 ARG 8 2HB ARG 8 -8.163 -0.103 -7.545 34 HG2 ARG 8 1HG ARG 8 -6.868 -0.922 -5.583 35 HG3 ARG 8 2HG ARG 8 -5.825 0.493 -5.749 36 HD2 ARG 8 1HD ARG 8 -8.802 0.769 -5.519 37 HD3 ARG 8 2HD ARG 8 -7.789 0.599 -4.086 38 HE ARG 8 HE ARG 8 -6.979 2.731 -4.428 39 HH11 ARG 8 2HH1 ARG 8 -8.865 1.711 -7.170 40 HH12 ARG 8 1HH1 ARG 8 -8.921 3.289 -7.883 41 HH21 ARG 8 2HH2 ARG 8 -7.046 4.814 -5.356 42 HH22 ARG 8 1HH2 ARG 8 -7.886 5.053 -6.851 43 H VAL 9 H VAL 9 -4.946 1.099 -9.296 44 HA VAL 9 HA VAL 9 -2.402 0.281 -8.054 45 HB VAL 9 HB VAL 9 -2.849 1.847 -10.599 46 HG11 VAL 9 1HG1 VAL 9 -0.175 0.840 -10.172 47 HG12 VAL 9 2HG1 VAL 9 -0.714 2.476 -10.554 48 HG13 VAL 9 3HG1 VAL 9 -0.664 1.932 -8.877 49 HG21 VAL 9 1HG2 VAL 9 -2.504 -0.996 -10.009 50 HG22 VAL 9 2HG2 VAL 9 -3.140 -0.206 -11.452 51 HG23 VAL 9 3HG2 VAL 9 -1.398 -0.381 -11.238 52 H VAL 10 H VAL 10 -1.558 1.591 -6.580 53 HA VAL 10 HA VAL 10 -2.504 4.381 -6.478 54 HB VAL 10 HB VAL 10 -1.244 3.118 -4.095 55 HG11 VAL 10 1HG1 VAL 10 -3.685 4.849 -4.177 56 HG12 VAL 10 2HG1 VAL 10 -2.481 4.677 -2.898 57 HG13 VAL 10 3HG1 VAL 10 -2.078 5.547 -4.378 58 HG21 VAL 10 1HG2 VAL 10 -3.278 2.073 -3.379 59 HG22 VAL 10 2HG2 VAL 10 -4.137 2.654 -4.806 60 HG23 VAL 10 3HG2 VAL 10 -2.868 1.441 -4.974 61 H VAL 11 H VAL 11 -1.031 6.034 -6.162 62 HA VAL 11 HA VAL 11 1.818 5.308 -6.173 63 HB VAL 11 HB VAL 11 0.558 7.392 -7.961 64 HG11 VAL 11 1HG1 VAL 11 3.176 6.934 -8.764 65 HG12 VAL 11 2HG1 VAL 11 2.564 8.358 -7.921 66 HG13 VAL 11 3HG1 VAL 11 3.263 7.023 -7.005 67 HG21 VAL 11 1HG2 VAL 11 0.683 5.947 -9.699 68 HG22 VAL 11 2HG2 VAL 11 2.120 5.142 -9.070 69 HG23 VAL 11 3HG2 VAL 11 0.531 4.747 -8.415 70 H ILE 12 H ILE 12 2.958 6.368 -4.689 71 HA ILE 12 HA ILE 12 1.961 8.963 -3.724 72 HB ILE 12 HB ILE 12 3.196 6.911 -1.897 73 HG12 ILE 12 1HG1 ILE 12 0.269 7.518 -1.849 74 HG13 ILE 12 2HG1 ILE 12 0.873 6.369 -3.037 75 HG21 ILE 12 1HG2 ILE 12 2.092 8.352 -0.165 76 HG22 ILE 12 2HG2 ILE 12 3.402 9.126 -1.055 77 HG23 ILE 12 3HG2 ILE 12 1.725 9.500 -1.453 78 HD11 ILE 12 1HD1 ILE 12 1.431 6.121 -0.098 79 HD12 ILE 12 2HD1 ILE 12 0.030 5.393 -0.884 80 HD13 ILE 12 3HD1 ILE 12 1.658 4.908 -1.358 81 H LYS 13 H LYS 13 3.576 10.344 -2.789 82 HA LYS 13 HA LYS 13 6.344 9.637 -3.489 83 HB2 LYS 13 1HB LYS 13 5.459 12.463 -3.820 84 HB3 LYS 13 2HB LYS 13 6.718 11.576 -4.669 85 HG2 LYS 13 1HG LYS 13 5.162 11.796 -6.325 86 HG3 LYS 13 2HG LYS 13 4.690 10.237 -5.645 87 HD2 LYS 13 1HD LYS 13 2.883 11.195 -4.457 88 HD3 LYS 13 2HD LYS 13 3.474 12.835 -4.734 89 HE2 LYS 13 1HE LYS 13 1.715 12.610 -6.248 90 HE3 LYS 13 2HE LYS 13 3.152 12.316 -7.226 91 HZ1 LYS 13 1HZ LYS 13 2.271 10.384 -7.801 92 HZ2 LYS 13 2HZ LYS 13 0.956 10.610 -6.761 93 HZ3 LYS 13 3HZ LYS 13 2.364 9.864 -6.193 94 H LYS 14 H LYS 14 7.461 9.599 -1.660 95 HA LYS 14 HA LYS 14 6.842 10.392 0.822 96 HB2 LYS 14 1HB LYS 14 9.066 9.386 -0.208 97 HB3 LYS 14 2HB LYS 14 9.619 11.049 -0.056 98 HG2 LYS 14 1HG LYS 14 9.352 11.030 2.285 99 HG3 LYS 14 2HG LYS 14 8.416 9.534 2.241 100 HD2 LYS 14 1HD LYS 14 11.250 9.627 1.259 101 HD3 LYS 14 2HD LYS 14 10.882 9.415 2.972 102 HE2 LYS 14 1HE LYS 14 9.520 7.446 2.417 103 HE3 LYS 14 2HE LYS 14 9.931 7.652 0.715 104 HZ1 LYS 14 1HZ LYS 14 11.869 6.641 1.018 105 HZ2 LYS 14 2HZ LYS 14 11.320 6.178 2.549 106 HZ3 LYS 14 3HZ LYS 14 12.252 7.578 2.374 107 H GLY 15 H GLY 15 6.612 12.216 1.994 108 HA2 GLY 15 1HA GLY 15 7.141 14.765 0.597 109 HA3 GLY 15 2HA GLY 15 5.822 14.520 1.732 110 H SER 16 H SER 16 6.132 15.328 3.688 111 HA SER 16 HA SER 16 8.783 16.185 4.483 112 HB2 SER 16 1HB SER 16 6.913 17.704 4.859 113 HB3 SER 16 2HB SER 16 6.095 16.492 5.845 114 HG SER 16 HG SER 16 7.833 16.637 7.324 115 H ASN 17 H ASN 17 6.206 14.444 6.234 116 HA ASN 17 HA ASN 17 8.127 13.236 8.003 117 HB2 ASN 17 1HB ASN 17 5.155 12.743 7.709 118 HB3 ASN 17 2HB ASN 17 6.165 12.147 9.022 119 HD21 ASN 17 1HD2 ASN 17 5.074 13.215 10.622 120 HD22 ASN 17 2HD2 ASN 17 5.111 14.932 10.807 121 H GLY 18 H GLY 18 5.809 11.978 5.599 122 HA2 GLY 18 1HA GLY 18 7.629 10.059 4.583 123 HA3 GLY 18 2HA GLY 18 6.541 9.295 5.733 124 H TYR 19 H TYR 19 5.003 8.231 4.691 125 HA TYR 19 HA TYR 19 4.016 9.271 2.138 126 HB2 TYR 19 1HB TYR 19 3.706 6.573 3.466 127 HB3 TYR 19 2HB TYR 19 2.935 7.013 1.946 128 HD1 TYR 19 2HD TYR 19 4.410 7.618 -0.023 129 HD2 TYR 19 1HD TYR 19 5.934 5.816 3.518 130 HE1 TYR 19 2HE TYR 19 6.427 6.927 -1.249 131 HE2 TYR 19 1HE TYR 19 7.956 5.121 2.301 132 HH TYR 19 HH TYR 19 8.342 4.687 -0.528 133 H GLY 20 H GLY 20 2.663 7.809 5.103 134 HA2 GLY 20 1HA GLY 20 0.951 9.121 6.299 135 HA3 GLY 20 2HA GLY 20 0.295 9.537 4.723 136 H PHE 21 H PHE 21 1.431 6.342 5.658 137 HA PHE 21 HA PHE 21 -1.263 5.369 6.086 138 HB2 PHE 21 1HB PHE 21 -1.348 3.851 4.271 139 HB3 PHE 21 2HB PHE 21 -0.842 5.385 3.571 140 HD1 PHE 21 1HD PHE 21 1.628 5.741 3.129 141 HD2 PHE 21 2HD PHE 21 -0.052 1.931 4.012 142 HE1 PHE 21 1HE PHE 21 3.606 4.647 2.157 143 HE2 PHE 21 2HE PHE 21 1.923 0.831 3.042 144 HZ PHE 21 HZ PHE 21 3.756 2.189 2.114 145 H TYR 22 H TYR 22 -1.340 3.305 7.041 146 HA TYR 22 HA TYR 22 1.261 2.363 8.053 147 HB2 TYR 22 1HB TYR 22 -1.474 2.243 9.335 148 HB3 TYR 22 2HB TYR 22 -0.037 1.469 9.992 149 HD1 TYR 22 1HD TYR 22 -1.150 4.836 8.806 150 HD2 TYR 22 2HD TYR 22 1.149 2.609 11.609 151 HE1 TYR 22 1HE TYR 22 -0.574 6.920 9.980 152 HE2 TYR 22 2HE TYR 22 1.731 4.686 12.791 153 HH TYR 22 HH TYR 22 1.271 6.882 12.991 154 H LEU 23 H LEU 23 1.314 0.021 8.620 155 HA LEU 23 HA LEU 23 -0.432 -1.618 6.926 156 HB2 LEU 23 1HB LEU 23 2.578 -1.728 6.988 157 HB3 LEU 23 2HB LEU 23 1.555 -2.955 6.245 158 HG LEU 23 HG LEU 23 1.630 -0.068 5.377 159 HD11 LEU 23 1HD1 LEU 23 3.314 -2.395 4.652 160 HD12 LEU 23 2HD1 LEU 23 3.706 -0.677 4.690 161 HD13 LEU 23 3HD1 LEU 23 2.776 -1.339 3.346 162 HD21 LEU 23 1HD2 LEU 23 -0.051 -2.327 4.746 163 HD22 LEU 23 2HD2 LEU 23 0.789 -1.737 3.312 164 HD23 LEU 23 3HD2 LEU 23 -0.209 -0.637 4.266 165 H ARG 24 H ARG 24 -1.125 -3.430 7.887 166 HA ARG 24 HA ARG 24 0.358 -4.484 10.186 167 HB2 ARG 24 1HB ARG 24 -1.326 -3.105 11.200 168 HB3 ARG 24 2HB ARG 24 -2.574 -3.765 10.151 169 HG2 ARG 24 1HG ARG 24 -2.095 -6.007 11.235 170 HG3 ARG 24 2HG ARG 24 -1.161 -5.107 12.432 171 HD2 ARG 24 1HD ARG 24 -3.229 -3.697 12.793 172 HD3 ARG 24 2HD ARG 24 -4.099 -4.883 11.820 173 HE ARG 24 HE ARG 24 -2.780 -6.297 13.800 174 HH11 ARG 24 2HH1 ARG 24 -5.232 -3.834 13.600 175 HH12 ARG 24 1HH1 ARG 24 -6.029 -4.325 15.058 176 HH21 ARG 24 2HH2 ARG 24 -3.820 -6.953 15.721 177 HH22 ARG 24 1HH2 ARG 24 -5.224 -6.099 16.264 178 H ALA 25 H ALA 25 0.088 -6.694 10.567 179 HA ALA 25 HA ALA 25 -0.421 -8.280 8.283 180 HB1 ALA 25 1HB ALA 25 0.230 -8.833 11.136 181 HB2 ALA 25 2HB ALA 25 -0.350 -10.155 10.123 182 HB3 ALA 25 3HB ALA 25 1.108 -9.272 9.670 183 H GLY 26 H GLY 26 -2.416 -8.455 7.458 184 HA2 GLY 26 1HA GLY 26 -4.771 -8.404 9.112 185 HA3 GLY 26 2HA GLY 26 -4.722 -8.633 7.371 186 HA PRO 27 HA PRO 27 -6.023 -12.652 9.208 187 HB2 PRO 27 1HB PRO 27 -7.862 -13.184 7.284 188 HB3 PRO 27 2HB PRO 27 -8.219 -12.200 8.708 189 HG2 PRO 27 1HG PRO 27 -7.543 -11.329 5.925 190 HG3 PRO 27 2HG PRO 27 -8.782 -10.696 7.026 191 HD2 PRO 27 1HD PRO 27 -6.397 -9.467 6.655 192 HD3 PRO 27 2HD PRO 27 -7.264 -9.423 8.204 193 H GLU 28 H GLU 28 -6.294 -14.807 7.950 194 HA GLU 28 HA GLU 28 -4.001 -15.710 6.930 195 HB2 GLU 28 1HB GLU 28 -5.578 -17.169 5.350 196 HB3 GLU 28 2HB GLU 28 -5.496 -17.422 7.088 197 HG2 GLU 28 1HG GLU 28 -7.490 -15.480 6.068 198 HG3 GLU 28 2HG GLU 28 -7.792 -17.196 5.799 199 H GLN 29 H GLN 29 -6.481 -14.050 5.024 200 HA GLN 29 HA GLN 29 -5.562 -14.314 2.479 201 HB2 GLN 29 1HB GLN 29 -6.829 -12.016 3.918 202 HB3 GLN 29 2HB GLN 29 -6.284 -11.797 2.261 203 HG2 GLN 29 1HG GLN 29 -8.231 -13.896 3.190 204 HG3 GLN 29 2HG GLN 29 -8.657 -12.379 2.400 205 HE21 GLN 29 1HE2 GLN 29 -8.539 -12.228 0.229 206 HE22 GLN 29 2HE2 GLN 29 -8.058 -13.519 -0.813 207 H LYS 30 H LYS 30 -3.580 -14.154 1.685 208 HA LYS 30 HA LYS 30 -1.411 -12.912 2.897 209 HB2 LYS 30 1HB LYS 30 -1.755 -13.375 -0.070 210 HB3 LYS 30 2HB LYS 30 -0.236 -13.216 0.801 211 HG2 LYS 30 1HG LYS 30 -2.222 -15.423 1.288 212 HG3 LYS 30 2HG LYS 30 -0.850 -15.550 0.184 213 HD2 LYS 30 1HD LYS 30 0.683 -15.611 1.879 214 HD3 LYS 30 2HD LYS 30 -0.318 -14.643 2.965 215 HE2 LYS 30 1HE LYS 30 -1.647 -16.482 3.555 216 HE3 LYS 30 2HE LYS 30 -1.096 -17.433 2.177 217 HZ1 LYS 30 1HZ LYS 30 0.946 -16.601 4.075 218 HZ2 LYS 30 2HZ LYS 30 0.772 -18.063 3.243 219 HZ3 LYS 30 3HZ LYS 30 -0.154 -17.762 4.626 220 H GLY 31 H GLY 31 -0.619 -10.888 2.938 221 HA2 GLY 31 1HA GLY 31 -0.315 -8.826 1.510 222 HA3 GLY 31 2HA GLY 31 -2.065 -8.857 1.355 223 H GLN 32 H GLN 32 -0.525 -6.688 2.373 224 HA GLN 32 HA GLN 32 -1.122 -6.729 5.244 225 HB2 GLN 32 1HB GLN 32 0.467 -4.725 3.633 226 HB3 GLN 32 2HB GLN 32 0.270 -4.715 5.380 227 HG2 GLN 32 1HG GLN 32 1.624 -6.878 3.782 228 HG3 GLN 32 2HG GLN 32 2.437 -5.612 4.702 229 HE21 GLN 32 1HE2 GLN 32 1.252 -8.730 4.771 230 HE22 GLN 32 2HE2 GLN 32 1.295 -8.993 6.478 231 H ILE 33 H ILE 33 -2.463 -5.227 6.207 232 HA ILE 33 HA ILE 33 -4.345 -3.920 4.390 233 HB ILE 33 HB ILE 33 -4.579 -4.224 7.383 234 HG12 ILE 33 1HG1 ILE 33 -5.634 -5.993 5.167 235 HG13 ILE 33 2HG1 ILE 33 -4.439 -6.435 6.381 236 HG21 ILE 33 1HG2 ILE 33 -6.998 -3.885 6.897 237 HG22 ILE 33 2HG2 ILE 33 -5.990 -2.485 6.539 238 HG23 ILE 33 3HG2 ILE 33 -6.562 -3.516 5.228 239 HD11 ILE 33 1HD1 ILE 33 -6.383 -5.802 8.034 240 HD12 ILE 33 2HD1 ILE 33 -7.381 -6.160 6.623 241 HD13 ILE 33 3HD1 ILE 33 -6.298 -7.390 7.273 242 H ILE 34 H ILE 34 -4.990 -1.740 4.679 243 HA ILE 34 HA ILE 34 -2.886 -0.069 5.872 244 HB ILE 34 HB ILE 34 -4.912 0.583 3.731 245 HG12 ILE 34 1HG1 ILE 34 -1.899 0.311 3.665 246 HG13 ILE 34 2HG1 ILE 34 -3.059 -0.802 2.947 247 HG21 ILE 34 1HG2 ILE 34 -4.711 2.630 4.733 248 HG22 ILE 34 2HG2 ILE 34 -3.085 2.301 5.329 249 HG23 ILE 34 3HG2 ILE 34 -3.338 2.691 3.628 250 HD11 ILE 34 1HD1 ILE 34 -2.700 0.350 1.076 251 HD12 ILE 34 2HD1 ILE 34 -3.752 1.570 1.794 252 HD13 ILE 34 3HD1 ILE 34 -2.001 1.719 1.940 253 H LYS 35 H LYS 35 -3.398 1.659 7.211 254 HA LYS 35 HA LYS 35 -6.066 2.414 7.839 255 HB2 LYS 35 1HB LYS 35 -6.156 1.591 10.141 256 HB3 LYS 35 2HB LYS 35 -6.049 0.257 9.000 257 HG2 LYS 35 1HG LYS 35 -3.655 1.374 10.431 258 HG3 LYS 35 2HG LYS 35 -4.641 0.059 11.076 259 HD2 LYS 35 1HD LYS 35 -4.226 -1.086 8.812 260 HD3 LYS 35 2HD LYS 35 -2.933 0.098 8.607 261 HE2 LYS 35 1HE LYS 35 -3.213 -1.969 10.780 262 HE3 LYS 35 2HE LYS 35 -1.971 -1.881 9.531 263 HZ1 LYS 35 1HZ LYS 35 -1.562 -0.999 11.964 264 HZ2 LYS 35 2HZ LYS 35 -2.249 0.408 11.326 265 HZ3 LYS 35 3HZ LYS 35 -0.859 -0.249 10.620 266 H ASP 36 H ASP 36 -6.107 3.912 9.775 267 HA ASP 36 HA ASP 36 -5.353 5.785 10.821 268 HB2 ASP 36 1HB ASP 36 -2.859 4.112 10.751 269 HB3 ASP 36 2HB ASP 36 -2.811 5.758 11.376 270 H ILE 37 H ILE 37 -5.694 5.972 8.086 271 HA ILE 37 HA ILE 37 -3.441 7.104 6.768 272 HB ILE 37 HB ILE 37 -6.388 7.274 6.140 273 HG12 ILE 37 1HG1 ILE 37 -4.158 5.650 4.895 274 HG13 ILE 37 2HG1 ILE 37 -5.381 5.023 5.995 275 HG21 ILE 37 1HG2 ILE 37 -5.946 8.828 4.621 276 HG22 ILE 37 2HG2 ILE 37 -4.258 8.853 5.130 277 HG23 ILE 37 3HG2 ILE 37 -4.779 7.753 3.854 278 HD11 ILE 37 1HD1 ILE 37 -6.314 6.400 3.545 279 HD12 ILE 37 2HD1 ILE 37 -5.595 4.798 3.375 280 HD13 ILE 37 3HD1 ILE 37 -7.004 5.028 4.411 281 H GLU 38 H GLU 38 -2.756 9.170 6.616 282 HA GLU 38 HA GLU 38 -3.994 11.112 8.405 283 HB2 GLU 38 1HB GLU 38 -1.384 11.182 6.882 284 HB3 GLU 38 2HB GLU 38 -1.944 12.451 7.962 285 HG2 GLU 38 1HG GLU 38 -1.897 10.902 9.834 286 HG3 GLU 38 2HG GLU 38 -1.376 9.605 8.760 287 HA PRO 39 HA PRO 39 -5.987 13.359 5.189 288 HB2 PRO 39 1HB PRO 39 -6.145 15.788 6.391 289 HB3 PRO 39 2HB PRO 39 -7.157 14.417 6.859 290 HG2 PRO 39 1HG PRO 39 -4.655 15.449 8.139 291 HG3 PRO 39 2HG PRO 39 -6.159 14.901 8.903 292 HD2 PRO 39 1HD PRO 39 -3.951 13.341 8.746 293 HD3 PRO 39 2HD PRO 39 -5.596 12.675 8.703 294 H GLY 40 H GLY 40 -5.597 14.902 3.574 295 HA2 GLY 40 1HA GLY 40 -4.231 15.985 2.072 296 HA3 GLY 40 2HA GLY 40 -3.699 16.883 3.485 297 H SER 41 H SER 41 -3.144 13.494 3.505 298 HA SER 41 HA SER 41 -0.273 13.987 3.259 299 HB2 SER 41 1HB SER 41 0.071 11.979 4.448 300 HB3 SER 41 2HB SER 41 -1.347 12.697 5.211 301 HG SER 41 HG SER 41 -2.620 11.318 3.835 302 HA PRO 42 HA PRO 42 0.472 12.308 -0.710 303 HB2 PRO 42 1HB PRO 42 2.273 10.353 0.644 304 HB3 PRO 42 2HB PRO 42 2.602 11.429 -0.719 305 HG2 PRO 42 1HG PRO 42 3.501 11.981 1.744 306 HG3 PRO 42 2HG PRO 42 2.965 13.260 0.640 307 HD2 PRO 42 1HD PRO 42 1.651 12.166 3.049 308 HD3 PRO 42 2HD PRO 42 1.552 13.788 2.334 309 H ALA 43 H ALA 43 -0.252 10.119 1.937 310 HA ALA 43 HA ALA 43 -0.854 7.870 0.266 311 HB1 ALA 43 1HB ALA 43 -1.018 8.488 3.159 312 HB2 ALA 43 2HB ALA 43 -2.057 7.202 2.545 313 HB3 ALA 43 3HB ALA 43 -0.309 7.101 2.332 314 H GLU 44 H GLU 44 -2.797 10.262 2.038 315 HA GLU 44 HA GLU 44 -5.301 9.209 1.199 316 HB2 GLU 44 1HB GLU 44 -5.098 10.582 3.210 317 HB3 GLU 44 2HB GLU 44 -4.585 11.955 2.240 318 HG2 GLU 44 1HG GLU 44 -6.685 12.384 1.476 319 HG3 GLU 44 2HG GLU 44 -7.195 10.701 1.598 320 H ALA 45 H ALA 45 -3.168 11.731 -0.026 321 HA ALA 45 HA ALA 45 -4.987 12.669 -2.018 322 HB1 ALA 45 1HB ALA 45 -3.530 14.344 -1.853 323 HB2 ALA 45 2HB ALA 45 -2.307 13.310 -1.114 324 HB3 ALA 45 3HB ALA 45 -2.456 13.384 -2.870 325 H ALA 46 H ALA 46 -2.720 10.070 -1.815 326 HA ALA 46 HA ALA 46 -2.284 9.696 -4.599 327 HB1 ALA 46 1HB ALA 46 -1.527 7.408 -3.893 328 HB2 ALA 46 2HB ALA 46 -0.710 8.751 -3.091 329 HB3 ALA 46 3HB ALA 46 -1.967 7.851 -2.243 330 H GLY 47 H GLY 47 -4.788 8.715 -2.379 331 HA2 GLY 47 1HA GLY 47 -6.975 8.273 -3.426 332 HA3 GLY 47 2HA GLY 47 -6.115 7.296 -4.607 333 H LEU 48 H LEU 48 -4.702 6.827 -1.639 334 HA LEU 48 HA LEU 48 -5.330 4.151 -1.420 335 HB2 LEU 48 1HB LEU 48 -4.290 6.205 0.453 336 HB3 LEU 48 2HB LEU 48 -4.826 4.672 1.137 337 HG LEU 48 HG LEU 48 -2.611 5.115 -0.857 338 HD11 LEU 48 1HD1 LEU 48 -1.394 3.836 1.030 339 HD12 LEU 48 2HD1 LEU 48 -2.757 4.340 2.029 340 HD13 LEU 48 3HD1 LEU 48 -1.742 5.551 1.245 341 HD21 LEU 48 1HD2 LEU 48 -2.523 2.473 -0.108 342 HD22 LEU 48 2HD2 LEU 48 -3.115 3.089 -1.651 343 HD23 LEU 48 3HD2 LEU 48 -4.247 2.760 -0.338 344 H LYS 49 H LYS 49 -6.334 3.326 0.829 345 HA LYS 49 HA LYS 49 -8.689 4.693 1.696 346 HB2 LYS 49 1HB LYS 49 -8.926 2.412 -0.250 347 HB3 LYS 49 2HB LYS 49 -10.201 2.745 0.916 348 HG2 LYS 49 1HG LYS 49 -10.002 5.179 -0.065 349 HG3 LYS 49 2HG LYS 49 -9.332 4.316 -1.452 350 HD2 LYS 49 1HD LYS 49 -11.947 3.555 -0.170 351 HD3 LYS 49 2HD LYS 49 -11.834 4.732 -1.481 352 HE2 LYS 49 1HE LYS 49 -11.000 3.114 -2.988 353 HE3 LYS 49 2HE LYS 49 -10.684 1.961 -1.692 354 HZ1 LYS 49 1HZ LYS 49 -12.738 1.177 -1.851 355 HZ2 LYS 49 2HZ LYS 49 -12.939 2.101 -3.252 356 HZ3 LYS 49 3HZ LYS 49 -13.424 2.720 -1.755 357 H ASN 50 H ASN 50 -9.245 4.013 3.683 358 HA ASN 50 HA ASN 50 -7.657 2.352 5.195 359 HB2 ASN 50 1HB ASN 50 -10.603 2.914 5.607 360 HB3 ASN 50 2HB ASN 50 -9.496 2.305 6.834 361 HD21 ASN 50 1HD2 ASN 50 -7.839 3.677 7.601 362 HD22 ASN 50 2HD2 ASN 50 -7.982 5.395 7.478 363 H ASN 51 H ASN 51 -7.670 0.217 5.793 364 HA ASN 51 HA ASN 51 -8.115 -2.018 5.721 365 HB2 ASN 51 1HB ASN 51 -10.706 -1.452 4.295 366 HB3 ASN 51 2HB ASN 51 -10.315 -2.788 5.374 367 HD21 ASN 51 1HD2 ASN 51 -11.772 0.204 5.112 368 HD22 ASN 51 2HD2 ASN 51 -11.965 0.551 6.793 369 H ASP 52 H ASP 52 -6.732 -0.615 3.605 370 HA ASP 52 HA ASP 52 -7.509 -1.968 1.152 371 HB2 ASP 52 1HB ASP 52 -5.614 0.208 1.879 372 HB3 ASP 52 2HB ASP 52 -5.231 -0.754 0.453 373 H LEU 53 H LEU 53 -6.895 -3.994 0.824 374 HA LEU 53 HA LEU 53 -4.584 -5.083 2.198 375 HB2 LEU 53 1HB LEU 53 -6.731 -6.322 2.005 376 HB3 LEU 53 2HB LEU 53 -6.466 -6.429 0.266 377 HG LEU 53 HG LEU 53 -4.255 -7.617 0.933 378 HD11 LEU 53 1HD1 LEU 53 -4.289 -7.179 3.291 379 HD12 LEU 53 2HD1 LEU 53 -4.502 -8.911 3.037 380 HD13 LEU 53 3HD1 LEU 53 -5.890 -7.903 3.448 381 HD21 LEU 53 1HD2 LEU 53 -5.913 -8.799 -0.259 382 HD22 LEU 53 2HD2 LEU 53 -7.008 -8.812 1.123 383 HD23 LEU 53 3HD2 LEU 53 -5.539 -9.787 1.153 384 H VAL 54 H VAL 54 -2.637 -4.794 1.345 385 HA VAL 54 HA VAL 54 -2.320 -4.467 -1.532 386 HB VAL 54 HB VAL 54 -0.285 -4.260 0.692 387 HG11 VAL 54 1HG1 VAL 54 1.336 -3.918 -0.823 388 HG12 VAL 54 2HG1 VAL 54 0.252 -4.769 -1.926 389 HG13 VAL 54 3HG1 VAL 54 0.277 -3.005 -1.897 390 HG21 VAL 54 1HG2 VAL 54 -1.120 -1.905 -0.888 391 HG22 VAL 54 2HG2 VAL 54 -2.294 -2.538 0.266 392 HG23 VAL 54 3HG2 VAL 54 -0.697 -2.034 0.819 393 H VAL 55 H VAL 55 -1.719 -6.055 -2.845 394 HA VAL 55 HA VAL 55 -0.732 -8.556 -1.667 395 HB VAL 55 HB VAL 55 -1.225 -9.410 -4.071 396 HG11 VAL 55 1HG1 VAL 55 -2.470 -10.080 -2.084 397 HG12 VAL 55 2HG1 VAL 55 -3.465 -8.628 -2.207 398 HG13 VAL 55 3HG1 VAL 55 -3.550 -9.865 -3.462 399 HG21 VAL 55 1HG2 VAL 55 -2.976 -6.955 -4.018 400 HG22 VAL 55 2HG2 VAL 55 -1.544 -7.153 -5.028 401 HG23 VAL 55 3HG2 VAL 55 -2.943 -8.200 -5.267 402 H ALA 56 H ALA 56 0.094 -5.998 -3.882 403 HA ALA 56 HA ALA 56 2.804 -7.087 -4.073 404 HB1 ALA 56 1HB ALA 56 2.255 -7.833 -6.140 405 HB2 ALA 56 2HB ALA 56 0.942 -6.670 -6.334 406 HB3 ALA 56 3HB ALA 56 2.614 -6.161 -6.571 407 H VAL 57 H VAL 57 4.415 -5.511 -4.583 408 HA VAL 57 HA VAL 57 3.552 -2.710 -4.472 409 HB VAL 57 HB VAL 57 5.725 -3.844 -2.705 410 HG11 VAL 57 1HG1 VAL 57 5.334 -1.246 -3.675 411 HG12 VAL 57 2HG1 VAL 57 4.779 -1.225 -2.000 412 HG13 VAL 57 3HG1 VAL 57 6.416 -1.758 -2.381 413 HG21 VAL 57 1HG2 VAL 57 4.293 -3.803 -0.913 414 HG22 VAL 57 2HG2 VAL 57 3.232 -2.600 -1.646 415 HG23 VAL 57 3HG2 VAL 57 3.182 -4.274 -2.199 416 H ASN 58 H ASN 58 4.636 -1.433 -5.839 417 HA ASN 58 HA ASN 58 6.056 -0.797 -7.501 418 HB2 ASN 58 1HB ASN 58 7.834 -2.019 -5.437 419 HB3 ASN 58 2HB ASN 58 8.536 -1.603 -6.997 420 HD21 ASN 58 1HD2 ASN 58 8.902 -0.487 -4.272 421 HD22 ASN 58 2HD2 ASN 58 8.613 1.208 -4.439 422 H GLY 59 H GLY 59 4.675 -3.394 -7.738 423 HA2 GLY 59 1HA GLY 59 4.552 -4.945 -9.451 424 HA3 GLY 59 2HA GLY 59 6.081 -4.332 -10.065 425 H LYS 60 H LYS 60 5.618 -5.468 -6.781 426 HA LYS 60 HA LYS 60 7.036 -7.954 -7.421 427 HB2 LYS 60 1HB LYS 60 7.828 -6.031 -5.225 428 HB3 LYS 60 2HB LYS 60 8.512 -7.634 -5.461 429 HG2 LYS 60 1HG LYS 60 8.618 -5.552 -7.614 430 HG3 LYS 60 2HG LYS 60 9.829 -5.631 -6.333 431 HD2 LYS 60 1HD LYS 60 10.484 -7.831 -6.984 432 HD3 LYS 60 2HD LYS 60 9.120 -7.970 -8.096 433 HE2 LYS 60 1HE LYS 60 11.219 -5.845 -8.411 434 HE3 LYS 60 2HE LYS 60 11.420 -7.458 -9.092 435 HZ1 LYS 60 1HZ LYS 60 10.414 -5.659 -10.566 436 HZ2 LYS 60 2HZ LYS 60 9.005 -5.851 -9.650 437 HZ3 LYS 60 3HZ LYS 60 9.630 -7.158 -10.524 438 H SER 61 H SER 61 6.369 -9.697 -6.283 439 HA SER 61 HA SER 61 3.931 -9.597 -4.886 440 HB2 SER 61 1HB SER 61 5.994 -11.809 -4.795 441 HB3 SER 61 2HB SER 61 4.273 -11.956 -4.440 442 HG SER 61 HG SER 61 4.292 -12.536 -6.493 443 H VAL 62 H VAL 62 3.520 -8.967 -2.883 444 HA VAL 62 HA VAL 62 5.675 -9.143 -0.878 445 HB VAL 62 HB VAL 62 4.915 -7.161 0.169 446 HG11 VAL 62 1HG1 VAL 62 4.574 -5.744 -2.193 447 HG12 VAL 62 2HG1 VAL 62 6.102 -6.090 -1.381 448 HG13 VAL 62 3HG1 VAL 62 5.520 -7.156 -2.661 449 HG21 VAL 62 1HG2 VAL 62 2.617 -7.198 0.227 450 HG22 VAL 62 2HG2 VAL 62 2.897 -5.942 -0.978 451 HG23 VAL 62 3HG2 VAL 62 2.471 -7.575 -1.490 452 H GLU 63 H GLU 63 2.370 -9.802 -1.666 453 HA GLU 63 HA GLU 63 1.192 -10.168 0.799 454 HB2 GLU 63 1HB GLU 63 -0.409 -11.529 -0.271 455 HB3 GLU 63 2HB GLU 63 0.145 -10.410 -1.510 456 HG2 GLU 63 1HG GLU 63 1.376 -13.121 -1.230 457 HG3 GLU 63 2HG GLU 63 -0.135 -12.892 -2.109 458 H ALA 64 H ALA 64 3.714 -11.989 -0.668 459 HA ALA 64 HA ALA 64 3.341 -14.312 1.029 460 HB1 ALA 64 1HB ALA 64 5.892 -14.215 -0.315 461 HB2 ALA 64 2HB ALA 64 4.566 -15.365 -0.497 462 HB3 ALA 64 3HB ALA 64 4.571 -13.869 -1.431 463 H LEU 65 H LEU 65 5.212 -11.383 0.975 464 HA LEU 65 HA LEU 65 7.175 -12.210 2.876 465 HB2 LEU 65 1HB LEU 65 6.371 -9.663 1.586 466 HB3 LEU 65 2HB LEU 65 7.282 -9.560 3.092 467 HG LEU 65 HG LEU 65 8.274 -11.167 0.755 468 HD11 LEU 65 1HD1 LEU 65 8.461 -8.216 1.232 469 HD12 LEU 65 2HD1 LEU 65 8.079 -9.082 -0.255 470 HD13 LEU 65 3HD1 LEU 65 9.730 -9.084 0.366 471 HD21 LEU 65 1HD2 LEU 65 9.134 -11.070 3.311 472 HD22 LEU 65 2HD2 LEU 65 10.079 -9.758 2.607 473 HD23 LEU 65 3HD2 LEU 65 10.184 -11.384 1.930 474 H ASP 66 H ASP 66 7.408 -10.688 4.911 475 HA ASP 66 HA ASP 66 4.881 -10.941 6.388 476 HB2 ASP 66 1HB ASP 66 6.455 -10.737 8.411 477 HB3 ASP 66 2HB ASP 66 6.515 -12.231 7.479 478 H HIS 67 H HIS 67 4.809 -9.323 8.322 479 HA HIS 67 HA HIS 67 4.157 -6.848 7.513 480 HB2 HIS 67 1HB HIS 67 3.747 -7.456 9.782 481 HB3 HIS 67 2HB HIS 67 5.466 -7.652 10.111 482 HD1 HIS 67 1HD HIS 67 2.960 -5.492 11.046 483 HD2 HIS 67 2HD HIS 67 6.703 -4.841 9.366 484 HE1 HIS 67 1HE HIS 67 3.546 -3.113 11.611 485 HE2 HIS 67 2HE HIS 67 5.776 -2.715 10.511 486 H ASP 68 H ASP 68 7.414 -7.700 8.681 487 HA ASP 68 HA ASP 68 8.567 -5.186 8.126 488 HB2 ASP 68 1HB ASP 68 9.765 -6.522 9.639 489 HB3 ASP 68 2HB ASP 68 9.697 -7.933 8.586 490 H GLY 69 H GLY 69 8.649 -8.248 6.306 491 HA2 GLY 69 1HA GLY 69 10.212 -7.496 4.170 492 HA3 GLY 69 2HA GLY 69 8.879 -8.635 4.051 493 H VAL 70 H VAL 70 6.650 -7.291 4.245 494 HA VAL 70 HA VAL 70 6.355 -5.972 1.804 495 HB VAL 70 HB VAL 70 4.565 -5.709 4.225 496 HG11 VAL 70 1HG1 VAL 70 2.818 -5.398 2.401 497 HG12 VAL 70 2HG1 VAL 70 3.926 -4.053 2.681 498 HG13 VAL 70 3HG1 VAL 70 4.171 -5.127 1.303 499 HG21 VAL 70 1HG2 VAL 70 3.898 -7.569 2.029 500 HG22 VAL 70 2HG2 VAL 70 5.222 -8.050 3.089 501 HG23 VAL 70 3HG2 VAL 70 3.628 -7.718 3.765 502 H VAL 71 H VAL 71 6.461 -4.598 5.090 503 HA VAL 71 HA VAL 71 6.265 -1.905 4.322 504 HB VAL 71 HB VAL 71 7.661 -3.014 6.761 505 HG11 VAL 71 1HG1 VAL 71 8.258 -0.745 6.557 506 HG12 VAL 71 2HG1 VAL 71 6.634 -0.280 6.049 507 HG13 VAL 71 3HG1 VAL 71 6.929 -0.777 7.715 508 HG21 VAL 71 1HG2 VAL 71 5.048 -3.415 6.083 509 HG22 VAL 71 2HG2 VAL 71 5.675 -3.397 7.732 510 HG23 VAL 71 3HG2 VAL 71 4.952 -1.941 7.047 511 H GLU 72 H GLU 72 8.855 -4.126 4.079 512 HA GLU 72 HA GLU 72 10.983 -2.204 4.124 513 HB2 GLU 72 1HB GLU 72 11.176 -4.692 4.638 514 HB3 GLU 72 2HB GLU 72 11.087 -4.958 2.902 515 HG2 GLU 72 1HG GLU 72 13.106 -3.732 2.542 516 HG3 GLU 72 2HG GLU 72 13.155 -3.227 4.230 517 H MET 73 H MET 73 9.347 -4.048 1.556 518 HA MET 73 HA MET 73 10.713 -3.163 -0.647 519 HB2 MET 73 1HB MET 73 7.752 -3.681 -0.351 520 HB3 MET 73 2HB MET 73 8.555 -3.453 -1.899 521 HG2 MET 73 1HG MET 73 9.274 -5.607 0.073 522 HG3 MET 73 2HG MET 73 8.160 -5.824 -1.275 523 HE1 MET 73 1HE MET 73 8.911 -7.120 -3.118 524 HE2 MET 73 2HE MET 73 10.593 -7.504 -3.485 525 HE3 MET 73 3HE MET 73 9.902 -7.964 -1.928 526 H ILE 74 H ILE 74 8.092 -1.513 1.065 527 HA ILE 74 HA ILE 74 7.846 0.660 -0.718 528 HB ILE 74 HB ILE 74 7.186 0.461 2.220 529 HG12 ILE 74 1HG1 ILE 74 5.165 0.618 0.027 530 HG13 ILE 74 2HG1 ILE 74 6.003 -0.909 0.283 531 HG21 ILE 74 1HG2 ILE 74 5.609 2.452 1.170 532 HG22 ILE 74 2HG2 ILE 74 7.040 2.688 2.172 533 HG23 ILE 74 3HG2 ILE 74 7.176 2.744 0.414 534 HD11 ILE 74 1HD1 ILE 74 4.904 -1.337 2.192 535 HD12 ILE 74 2HD1 ILE 74 4.892 0.354 2.694 536 HD13 ILE 74 3HD1 ILE 74 3.719 -0.223 1.510 537 H ARG 75 H ARG 75 9.770 0.201 2.221 538 HA ARG 75 HA ARG 75 10.790 2.787 2.454 539 HB2 ARG 75 1HB ARG 75 11.880 0.098 3.254 540 HB3 ARG 75 2HB ARG 75 12.764 1.583 3.577 541 HG2 ARG 75 1HG ARG 75 10.891 2.421 4.896 542 HG3 ARG 75 2HG ARG 75 9.991 0.940 4.560 543 HD2 ARG 75 1HD ARG 75 11.387 -0.358 5.883 544 HD3 ARG 75 2HD ARG 75 12.709 0.806 5.803 545 HE ARG 75 HE ARG 75 10.471 0.829 7.634 546 HH11 ARG 75 2HH1 ARG 75 13.077 2.637 6.198 547 HH12 ARG 75 1HH1 ARG 75 13.140 3.808 7.473 548 HH21 ARG 75 2HH2 ARG 75 10.545 2.365 9.319 549 HH22 ARG 75 1HH2 ARG 75 11.700 3.652 9.248 550 H LYS 76 H LYS 76 11.758 0.117 0.403 551 HA LYS 76 HA LYS 76 14.171 1.427 -0.491 552 HB2 LYS 76 1HB LYS 76 12.841 -0.960 -1.767 553 HB3 LYS 76 2HB LYS 76 14.536 -0.496 -1.844 554 HG2 LYS 76 1HG LYS 76 14.576 -0.870 0.679 555 HG3 LYS 76 2HG LYS 76 13.027 -1.687 0.456 556 HD2 LYS 76 1HD LYS 76 13.961 -3.427 -0.720 557 HD3 LYS 76 2HD LYS 76 15.324 -2.456 -1.282 558 HE2 LYS 76 1HE LYS 76 16.412 -2.602 0.808 559 HE3 LYS 76 2HE LYS 76 14.964 -3.212 1.606 560 HZ1 LYS 76 1HZ LYS 76 15.178 -5.278 0.511 561 HZ2 LYS 76 2HZ LYS 76 16.716 -4.907 1.110 562 HZ3 LYS 76 3HZ LYS 76 16.376 -4.700 -0.534 563 H GLY 77 H GLY 77 11.157 2.285 -0.972 564 HA2 GLY 77 1HA GLY 77 10.867 2.375 -3.797 565 HA3 GLY 77 2HA GLY 77 9.971 3.341 -2.635 566 H GLY 78 H GLY 78 12.475 4.447 -1.490 567 HA2 GLY 78 1HA GLY 78 14.136 6.013 -2.023 568 HA3 GLY 78 2HA GLY 78 13.613 5.965 -3.700 569 H ASP 79 H ASP 79 11.732 7.166 -4.312 570 HA ASP 79 HA ASP 79 11.058 9.324 -2.421 571 HB2 ASP 79 1HB ASP 79 11.573 9.483 -5.392 572 HB3 ASP 79 2HB ASP 79 10.768 10.765 -4.492 573 H GLN 80 H GLN 80 9.968 7.027 -4.777 574 HA GLN 80 HA GLN 80 7.227 7.446 -3.930 575 HB2 GLN 80 1HB GLN 80 6.308 7.815 -6.092 576 HB3 GLN 80 2HB GLN 80 7.616 8.973 -5.899 577 HG2 GLN 80 1HG GLN 80 9.085 7.485 -7.203 578 HG3 GLN 80 2HG GLN 80 7.719 6.400 -7.455 579 HE21 GLN 80 1HE2 GLN 80 7.710 6.629 -9.664 580 HE22 GLN 80 2HE2 GLN 80 7.231 8.087 -10.456 581 H THR 81 H THR 81 5.880 5.664 -4.303 582 HA THR 81 HA THR 81 7.038 3.322 -5.607 583 HB THR 81 HB THR 81 7.714 3.107 -3.254 584 HG1 THR 81 1HG THR 81 5.604 1.271 -3.753 585 HG21 THR 81 1HG2 THR 81 5.538 2.499 -1.780 586 HG22 THR 81 2HG2 THR 81 4.868 3.759 -2.816 587 HG23 THR 81 3HG2 THR 81 6.277 4.099 -1.813 588 H THR 82 H THR 82 5.521 1.793 -6.294 589 HA THR 82 HA THR 82 2.782 2.818 -6.427 590 HB THR 82 HB THR 82 4.147 0.646 -8.028 591 HG1 THR 82 1HG THR 82 3.623 2.344 -9.708 592 HG21 THR 82 1HG2 THR 82 2.099 0.750 -9.444 593 HG22 THR 82 2HG2 THR 82 1.348 1.762 -8.210 594 HG23 THR 82 3HG2 THR 82 1.808 0.103 -7.830 595 H LEU 83 H LEU 83 1.082 1.811 -5.517 596 HA LEU 83 HA LEU 83 1.605 -0.730 -4.123 597 HB2 LEU 83 1HB LEU 83 -0.651 1.034 -3.331 598 HB3 LEU 83 2HB LEU 83 0.321 -0.061 -2.350 599 HG LEU 83 HG LEU 83 0.983 2.734 -3.239 600 HD11 LEU 83 1HD1 LEU 83 1.461 2.861 -0.726 601 HD12 LEU 83 2HD1 LEU 83 0.567 1.346 -0.615 602 HD13 LEU 83 3HD1 LEU 83 -0.223 2.791 -1.244 603 HD21 LEU 83 1HD2 LEU 83 2.802 0.594 -3.068 604 HD22 LEU 83 2HD2 LEU 83 3.028 1.565 -1.613 605 HD23 LEU 83 3HD2 LEU 83 3.162 2.316 -3.204 606 H LEU 84 H LEU 84 0.153 -2.396 -4.307 607 HA LEU 84 HA LEU 84 -2.069 -1.990 -6.200 608 HB2 LEU 84 1HB LEU 84 -0.219 -3.270 -7.188 609 HB3 LEU 84 2HB LEU 84 -0.350 -4.447 -5.882 610 HG LEU 84 HG LEU 84 -2.660 -4.964 -6.685 611 HD11 LEU 84 1HD1 LEU 84 -2.008 -2.768 -8.490 612 HD12 LEU 84 2HD1 LEU 84 -3.574 -3.439 -8.036 613 HD13 LEU 84 3HD1 LEU 84 -2.627 -4.199 -9.314 614 HD21 LEU 84 1HD2 LEU 84 -0.273 -5.396 -8.457 615 HD22 LEU 84 2HD2 LEU 84 -1.838 -6.139 -8.787 616 HD23 LEU 84 3HD2 LEU 84 -0.988 -6.502 -7.284 617 H VAL 85 H VAL 85 -3.788 -1.885 -4.860 618 HA VAL 85 HA VAL 85 -4.101 -4.013 -2.849 619 HB VAL 85 HB VAL 85 -5.464 -2.608 -1.571 620 HG11 VAL 85 1HG1 VAL 85 -3.761 -1.356 -0.895 621 HG12 VAL 85 2HG1 VAL 85 -2.939 -1.672 -2.424 622 HG13 VAL 85 3HG1 VAL 85 -3.991 -0.266 -2.262 623 HG21 VAL 85 1HG2 VAL 85 -6.437 -0.521 -2.359 624 HG22 VAL 85 2HG2 VAL 85 -5.667 -0.737 -3.931 625 HG23 VAL 85 3HG2 VAL 85 -6.919 -1.860 -3.400 626 H LEU 86 H LEU 86 -6.294 -4.846 -2.521 627 HA LEU 86 HA LEU 86 -7.631 -5.230 -5.091 628 HB2 LEU 86 1HB LEU 86 -6.884 -7.070 -3.362 629 HB3 LEU 86 2HB LEU 86 -8.428 -6.675 -2.610 630 HG LEU 86 HG LEU 86 -8.738 -8.591 -4.001 631 HD11 LEU 86 1HD1 LEU 86 -10.647 -7.910 -5.000 632 HD12 LEU 86 2HD1 LEU 86 -9.868 -6.558 -5.821 633 HD13 LEU 86 3HD1 LEU 86 -10.301 -6.423 -4.117 634 HD21 LEU 86 1HD2 LEU 86 -8.156 -8.703 -6.305 635 HD22 LEU 86 2HD2 LEU 86 -6.728 -8.144 -5.434 636 HD23 LEU 86 3HD2 LEU 86 -7.714 -6.996 -6.341 637 H ASP 87 H ASP 87 -9.670 -4.581 -5.515 638 HA ASP 87 HA ASP 87 -10.995 -2.954 -3.461 639 HB2 ASP 87 1HB ASP 87 -11.156 -2.977 -6.470 640 HB3 ASP 87 2HB ASP 87 -12.354 -2.144 -5.482 641 H LYS 88 H LYS 88 -11.615 -5.508 -5.834 642 HA LYS 88 HA LYS 88 -14.347 -5.866 -5.160 643 HB2 LYS 88 1HB LYS 88 -12.908 -6.682 -7.231 644 HB3 LYS 88 2HB LYS 88 -12.723 -8.125 -6.243 645 HG2 LYS 88 1HG LYS 88 -14.564 -8.602 -7.566 646 HG3 LYS 88 2HG LYS 88 -15.283 -8.070 -6.044 647 HD2 LYS 88 1HD LYS 88 -15.678 -5.865 -6.965 648 HD3 LYS 88 2HD LYS 88 -14.864 -6.317 -8.465 649 HE2 LYS 88 1HE LYS 88 -17.187 -6.475 -8.889 650 HE3 LYS 88 2HE LYS 88 -16.598 -8.128 -8.722 651 HZ1 LYS 88 1HZ LYS 88 -17.296 -7.637 -6.221 652 HZ2 LYS 88 2HZ LYS 88 -18.374 -8.269 -7.361 653 HZ3 LYS 88 3HZ LYS 88 -18.395 -6.616 -7.002 654 H GLU 89 H GLU 89 -15.335 -7.229 -3.738 655 HA GLU 89 HA GLU 89 -15.502 -8.206 -1.657 656 HB2 GLU 89 1HB GLU 89 -14.705 -10.510 -1.676 657 HB3 GLU 89 2HB GLU 89 -15.415 -10.092 -3.229 658 HG2 GLU 89 1HG GLU 89 -13.162 -9.739 -4.143 659 HG3 GLU 89 2HG GLU 89 -12.477 -10.225 -2.593 660 H ALA 90 H ALA 90 -13.306 -6.263 -1.883 661 HA ALA 90 HA ALA 90 -11.201 -7.395 -0.218 662 HB1 ALA 90 1HB ALA 90 -11.515 -4.971 -1.872 663 HB2 ALA 90 2HB ALA 90 -10.512 -4.808 -0.430 664 HB3 ALA 90 3HB ALA 90 -10.116 -6.022 -1.646 665 H GLU 91 H GLU 91 -13.494 -4.668 -0.068 666 HA GLU 91 HA GLU 91 -12.951 -4.239 2.732 667 HB2 GLU 91 1HB GLU 91 -14.638 -2.471 2.573 668 HB3 GLU 91 2HB GLU 91 -13.458 -2.341 1.277 669 HG2 GLU 91 1HG GLU 91 -15.265 -3.787 -0.009 670 HG3 GLU 91 2HG GLU 91 -16.338 -3.024 1.164 671 H SER 92 H SER 92 -13.552 -6.148 3.759 672 HA SER 92 HA SER 92 -16.251 -6.325 4.578 673 HB2 SER 92 1HB SER 92 -16.925 -8.414 3.590 674 HB3 SER 92 2HB SER 92 -16.424 -7.340 2.283 675 HG SER 92 HG SER 92 -14.257 -8.496 2.766 676 H ILE 93 H ILE 93 -16.392 -7.391 6.479 677 HA ILE 93 HA ILE 93 -13.993 -8.857 7.361 678 HB ILE 93 HB ILE 93 -14.612 -8.263 9.659 679 HG12 ILE 93 1HG1 ILE 93 -16.358 -6.339 9.812 680 HG13 ILE 93 2HG1 ILE 93 -16.927 -6.950 8.263 681 HG21 ILE 93 1HG2 ILE 93 -13.079 -6.734 8.981 682 HG22 ILE 93 2HG2 ILE 93 -14.040 -6.222 7.594 683 HG23 ILE 93 3HG2 ILE 93 -14.444 -5.641 9.209 684 HD11 ILE 93 1HD1 ILE 93 -17.829 -8.803 9.176 685 HD12 ILE 93 2HD1 ILE 93 -16.582 -8.935 10.417 686 HD13 ILE 93 3HD1 ILE 93 -17.894 -7.772 10.605 687 H TYR 94 H TYR 94 -14.525 -10.423 9.218 688 HA TYR 94 HA TYR 94 -16.460 -12.298 8.212 689 HB2 TYR 94 1HB TYR 94 -15.453 -13.863 9.580 690 HB3 TYR 94 2HB TYR 94 -14.125 -12.733 9.341 691 HD1 TYR 94 2HD TYR 94 -13.950 -10.827 11.150 692 HD2 TYR 94 1HD TYR 94 -15.989 -14.516 11.734 693 HE1 TYR 94 2HE TYR 94 -13.744 -10.549 13.585 694 HE2 TYR 94 1HE TYR 94 -15.789 -14.247 14.170 695 HH TYR 94 HH TYR 94 -15.409 -12.611 15.817 696 H SER 95 H SER 95 -18.508 -12.480 8.819 697 HA SER 95 HA SER 95 -19.870 -10.742 10.435 698 HB2 SER 95 1HB SER 95 -20.435 -13.572 9.605 699 HB3 SER 95 2HB SER 95 -21.535 -12.737 10.702 700 HG SER 95 HG SER 95 -21.269 -11.001 8.911 701 H LEU 96 H LEU 96 -19.576 -10.266 12.502 702 HA LEU 96 HA LEU 96 -18.206 -11.877 14.350 703 HB2 LEU 96 1HB LEU 96 -18.684 -10.237 15.947 704 HB3 LEU 96 2HB LEU 96 -18.582 -9.370 14.417 705 HG LEU 96 HG LEU 96 -21.203 -10.206 15.637 706 HD11 LEU 96 1HD1 LEU 96 -19.992 -8.766 17.215 707 HD12 LEU 96 2HD1 LEU 96 -21.406 -7.964 16.532 708 HD13 LEU 96 3HD1 LEU 96 -19.794 -7.558 15.945 709 HD21 LEU 96 1HD2 LEU 96 -20.375 -8.305 13.458 710 HD22 LEU 96 2HD2 LEU 96 -21.971 -8.261 14.209 711 HD23 LEU 96 3HD2 LEU 96 -21.442 -9.704 13.342 712 H SER 97 H SER 97 -19.036 -12.808 16.343 713 HA SER 97 HA SER 97 -21.591 -14.165 15.874 714 HB2 SER 97 1HB SER 97 -19.830 -15.721 16.260 715 HB3 SER 97 2HB SER 97 -19.230 -14.808 17.644 716 HG SER 97 HG SER 97 -20.886 -16.803 17.717 717 H GLY 98 H GLY 98 -19.810 -12.908 18.706 718 HA2 GLY 98 1HA GLY 98 -21.145 -11.032 19.839 719 HA3 GLY 98 2HA GLY 98 -22.413 -12.246 19.920 720 HA PRO 99 HA PRO 99 -18.784 -13.536 22.898 721 HB2 PRO 99 1HB PRO 99 -17.239 -11.463 23.727 722 HB3 PRO 99 2HB PRO 99 -16.841 -12.455 22.318 723 HG2 PRO 99 1HG PRO 99 -18.150 -9.765 22.433 724 HG3 PRO 99 2HG PRO 99 -16.889 -10.349 21.332 725 HD2 PRO 99 1HD PRO 99 -19.497 -10.207 20.616 726 HD3 PRO 99 2HD PRO 99 -18.400 -11.453 19.985 727 H SER 100 H SER 100 -20.377 -13.838 24.406 728 HA SER 100 HA SER 100 -21.103 -11.523 26.076 729 HB2 SER 100 1HB SER 100 -22.602 -14.088 25.510 730 HB3 SER 100 2HB SER 100 -23.092 -12.923 26.740 731 HG SER 100 HG SER 100 -22.623 -12.002 24.141 732 H SER 101 H SER 101 -19.697 -11.507 27.732 733 HA SER 101 HA SER 101 -18.982 -14.019 29.044 734 HB2 SER 101 1HB SER 101 -17.917 -11.206 29.386 735 HB3 SER 101 2HB SER 101 -17.344 -12.606 30.293 736 HG SER 101 HG SER 101 -15.993 -12.394 28.567 737 H GLY 102 H GLY 102 -19.058 -14.185 31.387 738 HA2 GLY 102 1HA GLY 102 -19.963 -12.822 33.386 739 HA3 GLY 102 2HA GLY 102 -21.448 -12.835 32.446 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -3.631 4.383 -19.026 2 HA2 GLY 1 1HA GLY 1 -4.295 3.770 -16.373 3 HA3 GLY 1 2HA GLY 1 -5.145 5.244 -16.815 4 H SER 2 H SER 2 -5.230 1.888 -16.855 5 HA SER 2 HA SER 2 -7.720 1.921 -18.347 6 HB2 SER 2 1HB SER 2 -5.846 1.503 -20.011 7 HB3 SER 2 2HB SER 2 -5.551 -0.017 -19.166 8 HG SER 2 HG SER 2 -7.998 -0.230 -19.558 9 H SER 3 H SER 3 -9.088 0.940 -17.026 10 HA SER 3 HA SER 3 -8.221 -0.888 -14.999 11 HB2 SER 3 1HB SER 3 -10.936 0.093 -15.877 12 HB3 SER 3 2HB SER 3 -10.737 -1.107 -14.600 13 HG SER 3 HG SER 3 -10.085 0.407 -13.288 14 H GLY 4 H GLY 4 -7.769 -2.953 -15.358 15 HA2 GLY 4 1HA GLY 4 -9.551 -4.507 -17.094 16 HA3 GLY 4 2HA GLY 4 -7.829 -4.523 -17.444 17 H SER 5 H SER 5 -6.570 -4.821 -15.159 18 HA SER 5 HA SER 5 -7.381 -7.473 -14.307 19 HB2 SER 5 1HB SER 5 -4.898 -5.829 -14.089 20 HB3 SER 5 2HB SER 5 -5.149 -7.116 -12.910 21 HG SER 5 HG SER 5 -5.163 -8.603 -14.532 22 H SER 6 H SER 6 -7.513 -8.088 -12.068 23 HA SER 6 HA SER 6 -9.070 -6.260 -10.532 24 HB2 SER 6 1HB SER 6 -9.036 -8.077 -8.812 25 HB3 SER 6 2HB SER 6 -9.555 -8.627 -10.405 26 HG SER 6 HG SER 6 -7.018 -8.981 -10.467 27 H GLY 7 H GLY 7 -8.361 -4.718 -9.224 28 HA2 GLY 7 1HA GLY 7 -7.005 -4.338 -7.164 29 HA3 GLY 7 2HA GLY 7 -5.656 -5.011 -8.067 30 H ARG 8 H ARG 8 -6.945 -2.207 -6.993 31 HA ARG 8 HA ARG 8 -6.424 -0.547 -9.292 32 HB2 ARG 8 1HB ARG 8 -6.983 1.316 -7.835 33 HB3 ARG 8 2HB ARG 8 -8.176 0.036 -7.659 34 HG2 ARG 8 1HG ARG 8 -7.188 -0.664 -5.577 35 HG3 ARG 8 2HG ARG 8 -5.877 0.501 -5.773 36 HD2 ARG 8 1HD ARG 8 -8.805 1.150 -5.447 37 HD3 ARG 8 2HD ARG 8 -7.557 1.330 -4.214 38 HE ARG 8 HE ARG 8 -6.816 3.244 -5.268 39 HH11 ARG 8 2HH1 ARG 8 -9.161 1.609 -7.255 40 HH12 ARG 8 1HH1 ARG 8 -9.344 2.933 -8.357 41 HH21 ARG 8 2HH2 ARG 8 -7.047 4.994 -6.713 42 HH22 ARG 8 1HH2 ARG 8 -8.140 4.858 -8.048 43 H VAL 9 H VAL 9 -4.701 0.822 -9.617 44 HA VAL 9 HA VAL 9 -2.290 0.170 -8.096 45 HB VAL 9 HB VAL 9 -2.575 1.729 -10.669 46 HG11 VAL 9 1HG1 VAL 9 -0.305 1.942 -10.761 47 HG12 VAL 9 2HG1 VAL 9 -0.530 2.002 -9.012 48 HG13 VAL 9 3HG1 VAL 9 -0.018 0.501 -9.785 49 HG21 VAL 9 1HG2 VAL 9 -2.240 -1.155 -10.066 50 HG22 VAL 9 2HG2 VAL 9 -3.081 -0.366 -11.401 51 HG23 VAL 9 3HG2 VAL 9 -1.323 -0.495 -11.420 52 H VAL 10 H VAL 10 -1.389 1.529 -6.689 53 HA VAL 10 HA VAL 10 -2.305 4.332 -6.679 54 HB VAL 10 HB VAL 10 -1.253 3.052 -4.195 55 HG11 VAL 10 1HG1 VAL 10 -3.538 4.705 -3.829 56 HG12 VAL 10 2HG1 VAL 10 -1.869 5.005 -3.339 57 HG13 VAL 10 3HG1 VAL 10 -2.429 5.523 -4.930 58 HG21 VAL 10 1HG2 VAL 10 -3.725 2.295 -5.580 59 HG22 VAL 10 2HG2 VAL 10 -2.824 1.449 -4.323 60 HG23 VAL 10 3HG2 VAL 10 -3.939 2.744 -3.888 61 H VAL 11 H VAL 11 -0.789 5.940 -6.101 62 HA VAL 11 HA VAL 11 2.018 5.133 -5.940 63 HB VAL 11 HB VAL 11 0.995 7.140 -7.954 64 HG11 VAL 11 1HG1 VAL 11 3.820 6.174 -7.760 65 HG12 VAL 11 2HG1 VAL 11 3.188 7.638 -8.515 66 HG13 VAL 11 3HG1 VAL 11 3.263 7.513 -6.757 67 HG21 VAL 11 1HG2 VAL 11 1.991 5.520 -9.594 68 HG22 VAL 11 2HG2 VAL 11 2.138 4.369 -8.266 69 HG23 VAL 11 3HG2 VAL 11 0.546 4.945 -8.762 70 H ILE 12 H ILE 12 2.957 6.177 -4.321 71 HA ILE 12 HA ILE 12 1.960 8.857 -3.605 72 HB ILE 12 HB ILE 12 3.144 6.947 -1.605 73 HG12 ILE 12 1HG1 ILE 12 0.185 7.382 -1.915 74 HG13 ILE 12 2HG1 ILE 12 1.005 6.109 -2.812 75 HG21 ILE 12 1HG2 ILE 12 1.395 8.567 -0.296 76 HG22 ILE 12 2HG2 ILE 12 3.123 8.875 -0.459 77 HG23 ILE 12 3HG2 ILE 12 1.983 9.638 -1.568 78 HD11 ILE 12 1HD1 ILE 12 1.796 5.166 -0.678 79 HD12 ILE 12 2HD1 ILE 12 0.873 6.401 0.178 80 HD13 ILE 12 3HD1 ILE 12 0.037 5.203 -0.810 81 H LYS 13 H LYS 13 3.489 10.346 -2.791 82 HA LYS 13 HA LYS 13 6.308 9.619 -3.223 83 HB2 LYS 13 1HB LYS 13 5.418 12.387 -3.869 84 HB3 LYS 13 2HB LYS 13 6.737 11.446 -4.552 85 HG2 LYS 13 1HG LYS 13 5.185 10.136 -5.854 86 HG3 LYS 13 2HG LYS 13 3.816 10.959 -5.101 87 HD2 LYS 13 1HD LYS 13 5.878 12.623 -6.451 88 HD3 LYS 13 2HD LYS 13 4.767 11.696 -7.463 89 HE2 LYS 13 1HE LYS 13 2.958 12.734 -5.866 90 HE3 LYS 13 2HE LYS 13 4.209 13.944 -5.583 91 HZ1 LYS 13 1HZ LYS 13 2.963 14.773 -7.350 92 HZ2 LYS 13 2HZ LYS 13 2.848 13.271 -8.119 93 HZ3 LYS 13 3HZ LYS 13 4.321 14.103 -8.103 94 H LYS 14 H LYS 14 7.158 9.656 -1.240 95 HA LYS 14 HA LYS 14 6.369 10.756 1.060 96 HB2 LYS 14 1HB LYS 14 8.612 9.533 0.383 97 HB3 LYS 14 2HB LYS 14 9.252 11.171 0.391 98 HG2 LYS 14 1HG LYS 14 8.544 11.448 2.706 99 HG3 LYS 14 2HG LYS 14 7.875 9.814 2.701 100 HD2 LYS 14 1HD LYS 14 10.738 10.229 1.960 101 HD3 LYS 14 2HD LYS 14 10.270 10.270 3.661 102 HE2 LYS 14 1HE LYS 14 9.054 8.044 3.116 103 HE3 LYS 14 2HE LYS 14 10.108 8.010 1.703 104 HZ1 LYS 14 1HZ LYS 14 10.713 7.336 4.375 105 HZ2 LYS 14 2HZ LYS 14 11.712 8.609 3.883 106 HZ3 LYS 14 3HZ LYS 14 11.678 7.170 2.995 107 H GLY 15 H GLY 15 5.919 12.705 1.860 108 HA2 GLY 15 1HA GLY 15 7.124 15.059 0.546 109 HA3 GLY 15 2HA GLY 15 5.411 15.005 0.933 110 H SER 16 H SER 16 5.316 14.018 3.434 111 HA SER 16 HA SER 16 6.834 16.014 4.980 112 HB2 SER 16 1HB SER 16 4.051 14.924 5.272 113 HB3 SER 16 2HB SER 16 4.894 15.579 6.676 114 HG SER 16 HG SER 16 3.661 17.177 5.603 115 H ASN 17 H ASN 17 8.539 14.290 4.918 116 HA ASN 17 HA ASN 17 9.695 12.547 5.839 117 HB2 ASN 17 1HB ASN 17 9.741 14.126 7.698 118 HB3 ASN 17 2HB ASN 17 8.187 13.528 8.273 119 HD21 ASN 17 1HD2 ASN 17 9.251 13.117 10.277 120 HD22 ASN 17 2HD2 ASN 17 10.202 11.689 10.482 121 H GLY 18 H GLY 18 7.425 11.656 4.518 122 HA2 GLY 18 1HA GLY 18 7.169 9.047 5.208 123 HA3 GLY 18 2HA GLY 18 5.961 9.834 6.213 124 H TYR 19 H TYR 19 4.656 8.252 4.839 125 HA TYR 19 HA TYR 19 3.934 9.485 2.267 126 HB2 TYR 19 1HB TYR 19 3.390 6.678 3.258 127 HB3 TYR 19 2HB TYR 19 2.949 7.312 1.676 128 HD1 TYR 19 1HD TYR 19 5.729 6.202 3.804 129 HD2 TYR 19 2HD TYR 19 4.605 7.588 -0.058 130 HE1 TYR 19 1HE TYR 19 7.916 5.502 2.923 131 HE2 TYR 19 2HE TYR 19 6.789 6.892 -0.950 132 HH TYR 19 HH TYR 19 8.955 4.921 0.822 133 H GLY 20 H GLY 20 2.386 7.718 4.959 134 HA2 GLY 20 1HA GLY 20 0.622 9.043 6.153 135 HA3 GLY 20 2HA GLY 20 0.010 9.427 4.552 136 H PHE 21 H PHE 21 1.263 6.262 5.266 137 HA PHE 21 HA PHE 21 -1.390 5.170 5.743 138 HB2 PHE 21 1HB PHE 21 -1.395 3.687 3.877 139 HB3 PHE 21 2HB PHE 21 -1.042 5.289 3.239 140 HD1 PHE 21 1HD PHE 21 1.261 5.861 2.549 141 HD2 PHE 21 2HD PHE 21 0.165 1.913 3.701 142 HE1 PHE 21 1HE PHE 21 3.297 4.987 1.478 143 HE2 PHE 21 2HE PHE 21 2.199 1.033 2.633 144 HZ PHE 21 HZ PHE 21 3.768 2.570 1.520 145 H TYR 22 H TYR 22 -1.345 3.404 7.017 146 HA TYR 22 HA TYR 22 1.297 2.397 7.797 147 HB2 TYR 22 1HB TYR 22 -1.387 2.321 9.177 148 HB3 TYR 22 2HB TYR 22 0.018 1.438 9.763 149 HD1 TYR 22 1HD TYR 22 -0.632 4.912 8.524 150 HD2 TYR 22 2HD TYR 22 1.045 2.444 11.557 151 HE1 TYR 22 1HE TYR 22 0.115 6.918 9.735 152 HE2 TYR 22 2HE TYR 22 1.796 4.443 12.777 153 HH TYR 22 HH TYR 22 1.386 7.683 11.424 154 H LEU 23 H LEU 23 1.237 0.021 8.541 155 HA LEU 23 HA LEU 23 -0.479 -1.638 6.857 156 HB2 LEU 23 1HB LEU 23 2.532 -1.697 6.819 157 HB3 LEU 23 2HB LEU 23 1.516 -2.978 6.159 158 HG LEU 23 HG LEU 23 1.386 -0.133 5.184 159 HD11 LEU 23 1HD1 LEU 23 3.306 -2.300 4.537 160 HD12 LEU 23 2HD1 LEU 23 3.530 -0.551 4.549 161 HD13 LEU 23 3HD1 LEU 23 2.685 -1.322 3.207 162 HD21 LEU 23 1HD2 LEU 23 0.773 -2.323 3.367 163 HD22 LEU 23 2HD2 LEU 23 -0.146 -0.864 3.735 164 HD23 LEU 23 3HD2 LEU 23 -0.284 -2.280 4.778 165 H ARG 24 H ARG 24 -0.909 -3.646 7.691 166 HA ARG 24 HA ARG 24 0.529 -4.486 10.100 167 HB2 ARG 24 1HB ARG 24 -1.628 -3.167 10.616 168 HB3 ARG 24 2HB ARG 24 -2.476 -4.584 10.011 169 HG2 ARG 24 1HG ARG 24 -1.750 -5.924 11.760 170 HG3 ARG 24 2HG ARG 24 -0.410 -4.847 12.157 171 HD2 ARG 24 1HD ARG 24 -1.759 -3.365 13.286 172 HD3 ARG 24 2HD ARG 24 -3.201 -3.827 12.384 173 HE ARG 24 HE ARG 24 -2.374 -4.887 14.856 174 HH11 ARG 24 2HH1 ARG 24 -3.688 -5.893 11.793 175 HH12 ARG 24 1HH1 ARG 24 -4.497 -7.278 12.447 176 HH21 ARG 24 2HH2 ARG 24 -3.435 -6.707 15.729 177 HH22 ARG 24 1HH2 ARG 24 -4.353 -7.740 14.687 178 H ALA 25 H ALA 25 -0.020 -6.748 10.722 179 HA ALA 25 HA ALA 25 -0.027 -8.406 8.358 180 HB1 ALA 25 1HB ALA 25 0.094 -9.264 11.245 181 HB2 ALA 25 2HB ALA 25 0.534 -10.218 9.828 182 HB3 ALA 25 3HB ALA 25 1.498 -8.812 10.277 183 H GLY 26 H GLY 26 -2.012 -8.586 7.445 184 HA2 GLY 26 1HA GLY 26 -4.398 -8.885 9.031 185 HA3 GLY 26 2HA GLY 26 -4.294 -8.945 7.277 186 HA PRO 27 HA PRO 27 -5.006 -13.226 9.114 187 HB2 PRO 27 1HB PRO 27 -7.437 -13.653 7.982 188 HB3 PRO 27 2HB PRO 27 -7.234 -12.895 9.567 189 HG2 PRO 27 1HG PRO 27 -7.720 -11.617 6.904 190 HG3 PRO 27 2HG PRO 27 -8.446 -11.237 8.476 191 HD2 PRO 27 1HD PRO 27 -6.427 -9.779 7.414 192 HD3 PRO 27 2HD PRO 27 -6.622 -10.008 9.163 193 H GLU 28 H GLU 28 -6.225 -15.046 7.500 194 HA GLU 28 HA GLU 28 -4.402 -15.911 5.736 195 HB2 GLU 28 1HB GLU 28 -7.386 -16.046 5.268 196 HB3 GLU 28 2HB GLU 28 -6.183 -17.092 4.526 197 HG2 GLU 28 1HG GLU 28 -5.561 -17.613 7.020 198 HG3 GLU 28 2HG GLU 28 -7.209 -17.061 7.315 199 H GLN 29 H GLN 29 -6.586 -13.254 5.224 200 HA GLN 29 HA GLN 29 -6.550 -12.985 2.474 201 HB2 GLN 29 1HB GLN 29 -6.609 -10.918 4.665 202 HB3 GLN 29 2HB GLN 29 -6.730 -10.482 2.966 203 HG2 GLN 29 1HG GLN 29 -8.647 -12.068 4.632 204 HG3 GLN 29 2HG GLN 29 -8.933 -10.581 3.729 205 HE21 GLN 29 1HE2 GLN 29 -8.935 -10.710 1.407 206 HE22 GLN 29 2HE2 GLN 29 -9.409 -12.177 0.629 207 H LYS 30 H LYS 30 -4.575 -13.546 1.578 208 HA LYS 30 HA LYS 30 -2.048 -12.786 2.266 209 HB2 LYS 30 1HB LYS 30 -3.239 -13.099 -0.490 210 HB3 LYS 30 2HB LYS 30 -1.515 -12.906 -0.202 211 HG2 LYS 30 1HG LYS 30 -3.147 -15.110 1.028 212 HG3 LYS 30 2HG LYS 30 -2.316 -15.264 -0.522 213 HD2 LYS 30 1HD LYS 30 -0.241 -15.278 0.438 214 HD3 LYS 30 2HD LYS 30 -0.749 -14.286 1.807 215 HE2 LYS 30 1HE LYS 30 -2.057 -16.259 2.631 216 HE3 LYS 30 2HE LYS 30 -1.302 -17.214 1.356 217 HZ1 LYS 30 1HZ LYS 30 -0.305 -16.871 3.841 218 HZ2 LYS 30 2HZ LYS 30 0.574 -15.729 2.954 219 HZ3 LYS 30 3HZ LYS 30 0.596 -17.357 2.493 220 H GLY 31 H GLY 31 -1.076 -10.897 2.560 221 HA2 GLY 31 1HA GLY 31 -0.414 -8.821 1.303 222 HA3 GLY 31 2HA GLY 31 -2.140 -8.550 1.113 223 H GLN 32 H GLN 32 -0.891 -6.507 2.162 224 HA GLN 32 HA GLN 32 -1.179 -6.733 5.081 225 HB2 GLN 32 1HB GLN 32 0.254 -4.594 3.497 226 HB3 GLN 32 2HB GLN 32 0.226 -4.752 5.248 227 HG2 GLN 32 1HG GLN 32 1.521 -6.610 3.272 228 HG3 GLN 32 2HG GLN 32 2.319 -5.560 4.442 229 HE21 GLN 32 1HE2 GLN 32 1.603 -5.980 6.760 230 HE22 GLN 32 2HE2 GLN 32 1.503 -7.638 7.235 231 H ILE 33 H ILE 33 -2.461 -5.298 6.212 232 HA ILE 33 HA ILE 33 -4.512 -3.970 4.621 233 HB ILE 33 HB ILE 33 -4.429 -4.255 7.622 234 HG12 ILE 33 1HG1 ILE 33 -5.906 -6.061 5.709 235 HG13 ILE 33 2HG1 ILE 33 -4.304 -6.448 6.328 236 HG21 ILE 33 1HG2 ILE 33 -6.523 -3.478 5.626 237 HG22 ILE 33 2HG2 ILE 33 -6.968 -4.131 7.202 238 HG23 ILE 33 3HG2 ILE 33 -6.024 -2.645 7.099 239 HD11 ILE 33 1HD1 ILE 33 -6.900 -6.279 7.798 240 HD12 ILE 33 2HD1 ILE 33 -5.733 -7.600 7.738 241 HD13 ILE 33 3HD1 ILE 33 -5.362 -6.135 8.648 242 H ILE 34 H ILE 34 -4.929 -1.802 4.655 243 HA ILE 34 HA ILE 34 -2.817 -0.115 5.778 244 HB ILE 34 HB ILE 34 -4.949 0.453 3.721 245 HG12 ILE 34 1HG1 ILE 34 -1.955 0.115 3.631 246 HG13 ILE 34 2HG1 ILE 34 -3.179 -0.791 2.748 247 HG21 ILE 34 1HG2 ILE 34 -2.898 2.323 4.898 248 HG22 ILE 34 2HG2 ILE 34 -3.889 2.670 3.481 249 HG23 ILE 34 3HG2 ILE 34 -4.650 2.443 5.056 250 HD11 ILE 34 1HD1 ILE 34 -2.250 2.020 2.276 251 HD12 ILE 34 2HD1 ILE 34 -2.168 0.637 1.185 252 HD13 ILE 34 3HD1 ILE 34 -3.726 1.371 1.563 253 H LYS 35 H LYS 35 -3.243 1.662 7.090 254 HA LYS 35 HA LYS 35 -5.879 2.403 7.884 255 HB2 LYS 35 1HB LYS 35 -5.650 1.729 10.271 256 HB3 LYS 35 2HB LYS 35 -5.809 0.368 9.168 257 HG2 LYS 35 1HG LYS 35 -3.072 1.261 9.888 258 HG3 LYS 35 2HG LYS 35 -4.017 0.398 11.104 259 HD2 LYS 35 1HD LYS 35 -4.019 -1.553 9.913 260 HD3 LYS 35 2HD LYS 35 -3.926 -0.730 8.355 261 HE2 LYS 35 1HE LYS 35 -1.866 -2.000 9.002 262 HE3 LYS 35 2HE LYS 35 -1.602 -0.295 8.637 263 HZ1 LYS 35 1HZ LYS 35 -1.906 -1.393 11.378 264 HZ2 LYS 35 2HZ LYS 35 -1.502 0.196 10.965 265 HZ3 LYS 35 3HZ LYS 35 -0.420 -1.063 10.640 266 H ASP 36 H ASP 36 -5.702 3.852 9.961 267 HA ASP 36 HA ASP 36 -4.955 5.848 10.766 268 HB2 ASP 36 1HB ASP 36 -2.542 4.100 10.696 269 HB3 ASP 36 2HB ASP 36 -2.304 5.814 11.026 270 H ILE 37 H ILE 37 -5.500 5.953 8.082 271 HA ILE 37 HA ILE 37 -3.345 7.034 6.558 272 HB ILE 37 HB ILE 37 -6.329 7.057 6.142 273 HG12 ILE 37 1HG1 ILE 37 -4.027 5.556 4.888 274 HG13 ILE 37 2HG1 ILE 37 -5.363 4.888 5.820 275 HG21 ILE 37 1HG2 ILE 37 -5.920 7.960 3.912 276 HG22 ILE 37 2HG2 ILE 37 -5.387 9.085 5.160 277 HG23 ILE 37 3HG2 ILE 37 -4.203 8.116 4.284 278 HD11 ILE 37 1HD1 ILE 37 -6.911 5.512 4.037 279 HD12 ILE 37 2HD1 ILE 37 -5.564 6.164 3.103 280 HD13 ILE 37 3HD1 ILE 37 -5.638 4.438 3.458 281 H GLU 38 H GLU 38 -2.511 9.006 6.646 282 HA GLU 38 HA GLU 38 -3.674 11.021 8.332 283 HB2 GLU 38 1HB GLU 38 -1.182 10.844 6.668 284 HB3 GLU 38 2HB GLU 38 -1.687 12.382 7.353 285 HG2 GLU 38 1HG GLU 38 -1.436 9.971 9.097 286 HG3 GLU 38 2HG GLU 38 -0.007 10.895 8.637 287 HA PRO 39 HA PRO 39 -6.043 13.159 5.301 288 HB2 PRO 39 1HB PRO 39 -6.136 15.604 6.478 289 HB3 PRO 39 2HB PRO 39 -7.063 14.219 7.066 290 HG2 PRO 39 1HG PRO 39 -4.469 15.327 8.070 291 HG3 PRO 39 2HG PRO 39 -5.874 14.758 8.991 292 HD2 PRO 39 1HD PRO 39 -3.657 13.245 8.633 293 HD3 PRO 39 2HD PRO 39 -5.282 12.542 8.767 294 H GLY 40 H GLY 40 -5.889 14.778 3.685 295 HA2 GLY 40 1HA GLY 40 -4.628 15.725 1.982 296 HA3 GLY 40 2HA GLY 40 -4.160 16.796 3.294 297 H SER 41 H SER 41 -3.290 13.427 3.340 298 HA SER 41 HA SER 41 -0.475 14.206 3.126 299 HB2 SER 41 1HB SER 41 0.063 12.245 4.320 300 HB3 SER 41 2HB SER 41 -1.420 12.821 5.081 301 HG SER 41 HG SER 41 -2.501 11.333 3.545 302 HA PRO 42 HA PRO 42 0.457 12.575 -0.823 303 HB2 PRO 42 1HB PRO 42 2.386 10.760 0.552 304 HB3 PRO 42 2HB PRO 42 2.647 11.859 -0.807 305 HG2 PRO 42 1HG PRO 42 3.473 12.476 1.666 306 HG3 PRO 42 2HG PRO 42 2.855 13.712 0.556 307 HD2 PRO 42 1HD PRO 42 1.600 12.520 2.949 308 HD3 PRO 42 2HD PRO 42 1.386 14.130 2.233 309 H ALA 43 H ALA 43 -0.216 10.380 1.815 310 HA ALA 43 HA ALA 43 -0.623 8.089 0.114 311 HB1 ALA 43 1HB ALA 43 -1.697 8.157 2.881 312 HB2 ALA 43 2HB ALA 43 -0.850 6.868 2.026 313 HB3 ALA 43 3HB ALA 43 0.052 8.241 2.668 314 H GLU 44 H GLU 44 -2.687 10.344 1.918 315 HA GLU 44 HA GLU 44 -5.134 9.119 1.154 316 HB2 GLU 44 1HB GLU 44 -5.114 10.482 3.119 317 HB3 GLU 44 2HB GLU 44 -4.481 11.860 2.231 318 HG2 GLU 44 1HG GLU 44 -7.160 10.656 1.622 319 HG3 GLU 44 2HG GLU 44 -6.939 11.907 2.844 320 H ALA 45 H ALA 45 -3.281 11.860 -0.101 321 HA ALA 45 HA ALA 45 -5.180 12.587 -2.088 322 HB1 ALA 45 1HB ALA 45 -2.272 13.193 -2.380 323 HB2 ALA 45 2HB ALA 45 -3.673 14.197 -2.753 324 HB3 ALA 45 3HB ALA 45 -3.194 13.939 -1.075 325 H ALA 46 H ALA 46 -2.609 10.254 -1.935 326 HA ALA 46 HA ALA 46 -2.152 9.863 -4.677 327 HB1 ALA 46 1HB ALA 46 -1.834 8.060 -2.295 328 HB2 ALA 46 2HB ALA 46 -1.407 7.551 -3.929 329 HB3 ALA 46 3HB ALA 46 -0.588 8.927 -3.192 330 H GLY 47 H GLY 47 -4.727 8.816 -2.582 331 HA2 GLY 47 1HA GLY 47 -6.852 8.300 -3.689 332 HA3 GLY 47 2HA GLY 47 -5.927 7.393 -4.877 333 H LEU 48 H LEU 48 -4.634 6.922 -1.830 334 HA LEU 48 HA LEU 48 -5.262 4.192 -1.750 335 HB2 LEU 48 1HB LEU 48 -4.040 6.146 0.116 336 HB3 LEU 48 2HB LEU 48 -4.603 4.620 0.795 337 HG LEU 48 HG LEU 48 -2.492 5.012 -1.321 338 HD11 LEU 48 1HD1 LEU 48 -1.695 5.435 0.910 339 HD12 LEU 48 2HD1 LEU 48 -1.069 3.883 0.355 340 HD13 LEU 48 3HD1 LEU 48 -2.416 3.934 1.493 341 HD21 LEU 48 1HD2 LEU 48 -4.206 2.738 -0.774 342 HD22 LEU 48 2HD2 LEU 48 -2.499 2.350 -0.562 343 HD23 LEU 48 3HD2 LEU 48 -3.070 3.006 -2.097 344 H LYS 49 H LYS 49 -6.111 3.409 0.636 345 HA LYS 49 HA LYS 49 -8.416 4.803 1.585 346 HB2 LYS 49 1HB LYS 49 -8.751 2.495 -0.306 347 HB3 LYS 49 2HB LYS 49 -9.951 2.804 0.942 348 HG2 LYS 49 1HG LYS 49 -9.899 5.231 -0.042 349 HG3 LYS 49 2HG LYS 49 -9.262 4.408 -1.468 350 HD2 LYS 49 1HD LYS 49 -11.755 3.458 -0.090 351 HD3 LYS 49 2HD LYS 49 -11.803 4.741 -1.301 352 HE2 LYS 49 1HE LYS 49 -10.386 2.994 -2.688 353 HE3 LYS 49 2HE LYS 49 -11.182 1.847 -1.612 354 HZ1 LYS 49 1HZ LYS 49 -12.238 2.723 -3.898 355 HZ2 LYS 49 2HZ LYS 49 -12.917 3.831 -2.817 356 HZ3 LYS 49 3HZ LYS 49 -13.160 2.172 -2.592 357 H ASN 50 H ASN 50 -9.120 4.017 3.539 358 HA ASN 50 HA ASN 50 -7.374 2.453 5.054 359 HB2 ASN 50 1HB ASN 50 -10.296 3.075 5.539 360 HB3 ASN 50 2HB ASN 50 -9.201 2.398 6.741 361 HD21 ASN 50 1HD2 ASN 50 -7.089 3.724 6.915 362 HD22 ASN 50 2HD2 ASN 50 -7.309 5.433 7.053 363 H ASN 51 H ASN 51 -7.861 0.391 6.146 364 HA ASN 51 HA ASN 51 -8.147 -1.864 5.991 365 HB2 ASN 51 1HB ASN 51 -10.382 -2.607 5.705 366 HB3 ASN 51 2HB ASN 51 -10.504 -0.997 6.407 367 HD21 ASN 51 1HD2 ASN 51 -11.503 0.593 5.297 368 HD22 ASN 51 2HD2 ASN 51 -12.240 0.379 3.749 369 H ASP 52 H ASP 52 -6.846 -0.547 3.748 370 HA ASP 52 HA ASP 52 -7.738 -2.014 1.401 371 HB2 ASP 52 1HB ASP 52 -5.824 0.200 1.932 372 HB3 ASP 52 2HB ASP 52 -5.500 -0.829 0.539 373 H LEU 53 H LEU 53 -6.932 -3.904 0.766 374 HA LEU 53 HA LEU 53 -4.647 -5.004 2.223 375 HB2 LEU 53 1HB LEU 53 -6.698 -6.328 2.138 376 HB3 LEU 53 2HB LEU 53 -6.629 -6.330 0.377 377 HG LEU 53 HG LEU 53 -5.861 -8.427 1.688 378 HD11 LEU 53 1HD1 LEU 53 -5.153 -8.984 -0.334 379 HD12 LEU 53 2HD1 LEU 53 -3.691 -8.023 -0.112 380 HD13 LEU 53 3HD1 LEU 53 -5.139 -7.281 -0.791 381 HD21 LEU 53 1HD2 LEU 53 -4.342 -6.953 3.142 382 HD22 LEU 53 2HD2 LEU 53 -3.251 -6.950 1.756 383 HD23 LEU 53 3HD2 LEU 53 -3.687 -8.473 2.533 384 H VAL 54 H VAL 54 -2.715 -4.720 1.338 385 HA VAL 54 HA VAL 54 -2.464 -4.432 -1.559 386 HB VAL 54 HB VAL 54 -0.359 -4.080 0.580 387 HG11 VAL 54 1HG1 VAL 54 0.173 -4.584 -1.964 388 HG12 VAL 54 2HG1 VAL 54 -0.163 -2.859 -2.121 389 HG13 VAL 54 3HG1 VAL 54 1.109 -3.414 -1.034 390 HG21 VAL 54 1HG2 VAL 54 -0.854 -1.850 0.705 391 HG22 VAL 54 2HG2 VAL 54 -1.547 -1.798 -0.916 392 HG23 VAL 54 3HG2 VAL 54 -2.468 -2.500 0.414 393 H VAL 55 H VAL 55 -1.881 -6.076 -2.803 394 HA VAL 55 HA VAL 55 -0.708 -8.456 -1.551 395 HB VAL 55 HB VAL 55 -1.298 -9.593 -3.698 396 HG11 VAL 55 1HG1 VAL 55 -3.489 -9.996 -3.065 397 HG12 VAL 55 2HG1 VAL 55 -2.776 -9.369 -1.578 398 HG13 VAL 55 3HG1 VAL 55 -3.769 -8.321 -2.591 399 HG21 VAL 55 1HG2 VAL 55 -2.784 -8.501 -5.263 400 HG22 VAL 55 2HG2 VAL 55 -2.774 -7.028 -4.292 401 HG23 VAL 55 3HG2 VAL 55 -1.301 -7.560 -5.102 402 H ALA 56 H ALA 56 -0.001 -5.875 -3.720 403 HA ALA 56 HA ALA 56 2.688 -6.966 -4.113 404 HB1 ALA 56 1HB ALA 56 1.514 -5.587 -6.452 405 HB2 ALA 56 2HB ALA 56 2.671 -6.917 -6.379 406 HB3 ALA 56 3HB ALA 56 0.954 -7.227 -6.123 407 H VAL 57 H VAL 57 4.303 -5.386 -4.517 408 HA VAL 57 HA VAL 57 3.491 -2.587 -4.181 409 HB VAL 57 HB VAL 57 5.683 -3.896 -2.564 410 HG11 VAL 57 1HG1 VAL 57 5.249 -1.190 -3.309 411 HG12 VAL 57 2HG1 VAL 57 4.927 -1.344 -1.581 412 HG13 VAL 57 3HG1 VAL 57 6.483 -1.852 -2.238 413 HG21 VAL 57 1HG2 VAL 57 3.300 -2.636 -1.316 414 HG22 VAL 57 2HG2 VAL 57 3.110 -4.236 -2.033 415 HG23 VAL 57 3HG2 VAL 57 4.296 -3.978 -0.753 416 H ASN 58 H ASN 58 4.234 -1.602 -5.939 417 HA ASN 58 HA ASN 58 5.669 -0.802 -7.516 418 HB2 ASN 58 1HB ASN 58 7.901 -2.212 -6.051 419 HB3 ASN 58 2HB ASN 58 8.018 -0.801 -7.099 420 HD21 ASN 58 1HD2 ASN 58 9.143 -0.705 -4.654 421 HD22 ASN 58 2HD2 ASN 58 8.245 0.343 -3.614 422 H GLY 59 H GLY 59 4.337 -3.336 -7.833 423 HA2 GLY 59 1HA GLY 59 4.251 -4.936 -9.491 424 HA3 GLY 59 2HA GLY 59 5.751 -4.280 -10.131 425 H LYS 60 H LYS 60 5.049 -5.677 -6.944 426 HA LYS 60 HA LYS 60 6.582 -8.056 -7.563 427 HB2 LYS 60 1HB LYS 60 7.501 -6.193 -5.367 428 HB3 LYS 60 2HB LYS 60 8.217 -7.743 -5.790 429 HG2 LYS 60 1HG LYS 60 8.633 -6.717 -8.094 430 HG3 LYS 60 2HG LYS 60 8.286 -5.168 -7.321 431 HD2 LYS 60 1HD LYS 60 10.048 -5.758 -5.615 432 HD3 LYS 60 2HD LYS 60 10.483 -7.119 -6.653 433 HE2 LYS 60 1HE LYS 60 10.495 -4.214 -7.471 434 HE3 LYS 60 2HE LYS 60 11.919 -5.157 -7.030 435 HZ1 LYS 60 1HZ LYS 60 10.139 -5.582 -9.365 436 HZ2 LYS 60 2HZ LYS 60 11.338 -6.678 -8.892 437 HZ3 LYS 60 3HZ LYS 60 11.766 -5.117 -9.385 438 H SER 61 H SER 61 5.523 -9.694 -6.681 439 HA SER 61 HA SER 61 3.343 -9.472 -4.986 440 HB2 SER 61 1HB SER 61 5.038 -11.944 -4.913 441 HB3 SER 61 2HB SER 61 3.281 -11.796 -4.954 442 HG SER 61 HG SER 61 4.602 -12.416 -6.964 443 H VAL 62 H VAL 62 3.376 -8.569 -3.032 444 HA VAL 62 HA VAL 62 5.616 -9.166 -1.224 445 HB VAL 62 HB VAL 62 5.128 -7.193 -0.027 446 HG11 VAL 62 1HG1 VAL 62 5.720 -5.637 -1.571 447 HG12 VAL 62 2HG1 VAL 62 5.929 -7.078 -2.569 448 HG13 VAL 62 3HG1 VAL 62 4.455 -6.117 -2.702 449 HG21 VAL 62 1HG2 VAL 62 2.527 -7.101 -1.548 450 HG22 VAL 62 2HG2 VAL 62 2.742 -7.388 0.179 451 HG23 VAL 62 3HG2 VAL 62 3.119 -5.807 -0.506 452 H GLU 63 H GLU 63 2.220 -9.599 -1.693 453 HA GLU 63 HA GLU 63 1.186 -9.970 0.800 454 HB2 GLU 63 1HB GLU 63 -0.523 -11.140 -0.190 455 HB3 GLU 63 2HB GLU 63 0.188 -10.380 -1.608 456 HG2 GLU 63 1HG GLU 63 1.562 -12.524 -1.838 457 HG3 GLU 63 2HG GLU 63 0.418 -13.222 -0.693 458 H ALA 64 H ALA 64 3.565 -11.919 -0.794 459 HA ALA 64 HA ALA 64 3.288 -14.201 0.924 460 HB1 ALA 64 1HB ALA 64 4.391 -13.876 -1.502 461 HB2 ALA 64 2HB ALA 64 5.839 -13.781 -0.499 462 HB3 ALA 64 3HB ALA 64 4.802 -15.205 -0.418 463 H LEU 65 H LEU 65 5.317 -11.327 0.827 464 HA LEU 65 HA LEU 65 7.110 -12.142 2.874 465 HB2 LEU 65 1HB LEU 65 6.448 -9.575 1.518 466 HB3 LEU 65 2HB LEU 65 7.377 -9.525 3.014 467 HG LEU 65 HG LEU 65 8.207 -11.102 0.583 468 HD11 LEU 65 1HD1 LEU 65 8.989 -8.322 1.444 469 HD12 LEU 65 2HD1 LEU 65 8.169 -8.786 -0.046 470 HD13 LEU 65 3HD1 LEU 65 9.842 -9.271 0.226 471 HD21 LEU 65 1HD2 LEU 65 9.080 -11.763 2.847 472 HD22 LEU 65 2HD2 LEU 65 9.845 -10.176 2.934 473 HD23 LEU 65 3HD2 LEU 65 10.309 -11.311 1.666 474 H ASP 66 H ASP 66 7.322 -10.807 4.937 475 HA ASP 66 HA ASP 66 4.718 -10.830 6.273 476 HB2 ASP 66 1HB ASP 66 7.423 -10.565 7.583 477 HB3 ASP 66 2HB ASP 66 5.902 -11.047 8.330 478 H HIS 67 H HIS 67 4.857 -9.173 8.292 479 HA HIS 67 HA HIS 67 4.235 -6.689 7.388 480 HB2 HIS 67 1HB HIS 67 3.849 -7.378 9.695 481 HB3 HIS 67 2HB HIS 67 5.581 -7.358 10.014 482 HD1 HIS 67 1HD HIS 67 2.928 -5.493 11.010 483 HD2 HIS 67 2HD HIS 67 6.395 -4.428 8.983 484 HE1 HIS 67 1HE HIS 67 3.216 -3.028 11.419 485 HE2 HIS 67 2HE HIS 67 5.273 -2.390 10.112 486 H ASP 68 H ASP 68 7.448 -7.668 8.573 487 HA ASP 68 HA ASP 68 8.722 -5.217 8.033 488 HB2 ASP 68 1HB ASP 68 9.899 -8.001 8.182 489 HB3 ASP 68 2HB ASP 68 10.828 -6.505 8.216 490 H GLY 69 H GLY 69 8.926 -8.284 6.210 491 HA2 GLY 69 1HA GLY 69 10.398 -7.548 4.062 492 HA3 GLY 69 2HA GLY 69 9.016 -8.626 3.924 493 H VAL 70 H VAL 70 6.843 -7.227 4.099 494 HA VAL 70 HA VAL 70 6.619 -5.835 1.698 495 HB VAL 70 HB VAL 70 4.811 -5.512 4.095 496 HG11 VAL 70 1HG1 VAL 70 4.614 -4.806 1.213 497 HG12 VAL 70 2HG1 VAL 70 3.154 -5.339 2.048 498 HG13 VAL 70 3HG1 VAL 70 4.042 -3.932 2.634 499 HG21 VAL 70 1HG2 VAL 70 4.745 -7.585 1.904 500 HG22 VAL 70 2HG2 VAL 70 5.126 -7.873 3.602 501 HG23 VAL 70 3HG2 VAL 70 3.505 -7.359 3.137 502 H VAL 71 H VAL 71 6.145 -4.341 4.899 503 HA VAL 71 HA VAL 71 6.230 -1.718 4.228 504 HB VAL 71 HB VAL 71 7.482 -2.999 6.658 505 HG11 VAL 71 1HG1 VAL 71 7.259 -0.167 5.829 506 HG12 VAL 71 2HG1 VAL 71 6.875 -0.540 7.510 507 HG13 VAL 71 3HG1 VAL 71 8.456 -0.960 6.852 508 HG21 VAL 71 1HG2 VAL 71 5.438 -2.606 7.754 509 HG22 VAL 71 2HG2 VAL 71 4.861 -1.539 6.474 510 HG23 VAL 71 3HG2 VAL 71 4.995 -3.273 6.182 511 H GLU 72 H GLU 72 8.946 -3.916 4.377 512 HA GLU 72 HA GLU 72 11.017 -2.003 4.321 513 HB2 GLU 72 1HB GLU 72 11.227 -4.475 4.842 514 HB3 GLU 72 2HB GLU 72 11.134 -4.764 3.111 515 HG2 GLU 72 1HG GLU 72 13.396 -4.745 3.439 516 HG3 GLU 72 2HG GLU 72 13.103 -3.063 3.003 517 H MET 73 H MET 73 9.413 -3.807 1.710 518 HA MET 73 HA MET 73 10.826 -2.983 -0.471 519 HB2 MET 73 1HB MET 73 7.860 -3.402 -0.141 520 HB3 MET 73 2HB MET 73 8.588 -3.056 -1.704 521 HG2 MET 73 1HG MET 73 10.140 -5.076 -1.055 522 HG3 MET 73 2HG MET 73 8.778 -5.491 -0.017 523 HE1 MET 73 1HE MET 73 9.348 -7.696 -1.726 524 HE2 MET 73 2HE MET 73 8.778 -7.737 -3.394 525 HE3 MET 73 3HE MET 73 10.217 -6.806 -2.977 526 H ILE 74 H ILE 74 8.103 -1.229 1.011 527 HA ILE 74 HA ILE 74 8.073 0.965 -0.696 528 HB ILE 74 HB ILE 74 7.403 0.850 2.246 529 HG12 ILE 74 1HG1 ILE 74 5.034 1.017 1.069 530 HG13 ILE 74 2HG1 ILE 74 5.911 0.314 -0.286 531 HG21 ILE 74 1HG2 ILE 74 5.979 2.881 0.830 532 HG22 ILE 74 2HG2 ILE 74 7.043 3.038 2.228 533 HG23 ILE 74 3HG2 ILE 74 7.712 3.115 0.598 534 HD11 ILE 74 1HD1 ILE 74 6.206 -1.682 0.765 535 HD12 ILE 74 2HD1 ILE 74 6.186 -0.964 2.376 536 HD13 ILE 74 3HD1 ILE 74 4.678 -1.179 1.488 537 H ARG 75 H ARG 75 9.902 0.481 2.309 538 HA ARG 75 HA ARG 75 11.087 3.004 2.457 539 HB2 ARG 75 1HB ARG 75 11.720 0.304 3.532 540 HB3 ARG 75 2HB ARG 75 13.002 1.507 3.571 541 HG2 ARG 75 1HG ARG 75 12.028 1.811 5.623 542 HG3 ARG 75 2HG ARG 75 11.175 3.015 4.654 543 HD2 ARG 75 1HD ARG 75 9.470 1.951 5.830 544 HD3 ARG 75 2HD ARG 75 9.441 1.161 4.254 545 HE ARG 75 HE ARG 75 9.933 -0.795 5.307 546 HH11 ARG 75 2HH1 ARG 75 10.974 1.837 7.335 547 HH12 ARG 75 1HH1 ARG 75 11.461 0.809 8.642 548 HH21 ARG 75 2HH2 ARG 75 10.571 -2.158 7.021 549 HH22 ARG 75 1HH2 ARG 75 11.232 -1.463 8.462 550 H LYS 76 H LYS 76 12.428 0.004 1.070 551 HA LYS 76 HA LYS 76 14.759 1.212 0.035 552 HB2 LYS 76 1HB LYS 76 15.205 -0.845 -0.996 553 HB3 LYS 76 2HB LYS 76 14.273 -1.280 0.431 554 HG2 LYS 76 1HG LYS 76 12.352 -1.742 -0.824 555 HG3 LYS 76 2HG LYS 76 12.973 -0.898 -2.244 556 HD2 LYS 76 1HD LYS 76 14.379 -2.631 -2.824 557 HD3 LYS 76 2HD LYS 76 14.467 -3.251 -1.173 558 HE2 LYS 76 1HE LYS 76 13.152 -4.658 -2.795 559 HE3 LYS 76 2HE LYS 76 12.301 -4.202 -1.320 560 HZ1 LYS 76 1HZ LYS 76 10.930 -2.775 -2.442 561 HZ2 LYS 76 2HZ LYS 76 11.155 -3.962 -3.626 562 HZ3 LYS 76 3HZ LYS 76 12.023 -2.512 -3.706 563 H GLY 77 H GLY 77 11.513 1.271 -1.011 564 HA2 GLY 77 1HA GLY 77 11.785 1.462 -3.790 565 HA3 GLY 77 2HA GLY 77 10.493 2.192 -2.849 566 H GLY 78 H GLY 78 12.394 3.823 -1.281 567 HA2 GLY 78 1HA GLY 78 13.957 5.609 -1.746 568 HA3 GLY 78 2HA GLY 78 13.310 5.681 -3.379 569 H ASP 79 H ASP 79 12.201 7.476 -3.713 570 HA ASP 79 HA ASP 79 10.935 8.843 -1.474 571 HB2 ASP 79 1HB ASP 79 11.374 9.646 -4.355 572 HB3 ASP 79 2HB ASP 79 10.536 10.650 -3.175 573 H GLN 80 H GLN 80 10.014 7.676 -4.711 574 HA GLN 80 HA GLN 80 7.205 7.717 -3.842 575 HB2 GLN 80 1HB GLN 80 6.549 8.031 -6.060 576 HB3 GLN 80 2HB GLN 80 7.999 9.016 -5.924 577 HG2 GLN 80 1HG GLN 80 9.290 7.129 -6.908 578 HG3 GLN 80 2HG GLN 80 7.760 6.296 -7.182 579 HE21 GLN 80 1HE2 GLN 80 7.284 6.383 -9.252 580 HE22 GLN 80 2HE2 GLN 80 7.415 7.771 -10.271 581 H THR 81 H THR 81 5.853 5.933 -4.330 582 HA THR 81 HA THR 81 7.105 3.472 -5.250 583 HB THR 81 HB THR 81 7.592 3.140 -2.983 584 HG1 THR 81 1HG THR 81 5.058 1.967 -2.868 585 HG21 THR 81 1HG2 THR 81 4.811 4.000 -2.198 586 HG22 THR 81 2HG2 THR 81 6.191 5.099 -2.220 587 HG23 THR 81 3HG2 THR 81 6.192 3.702 -1.143 588 H THR 82 H THR 82 5.575 1.791 -5.738 589 HA THR 82 HA THR 82 2.867 2.849 -6.218 590 HB THR 82 HB THR 82 4.244 0.610 -7.713 591 HG1 THR 82 1HG THR 82 5.298 2.447 -8.318 592 HG21 THR 82 1HG2 THR 82 1.599 1.011 -7.530 593 HG22 THR 82 2HG2 THR 82 2.378 0.420 -8.998 594 HG23 THR 82 3HG2 THR 82 1.966 2.127 -8.844 595 H LEU 83 H LEU 83 1.174 1.859 -5.312 596 HA LEU 83 HA LEU 83 1.646 -0.719 -3.968 597 HB2 LEU 83 1HB LEU 83 -0.628 1.059 -3.236 598 HB3 LEU 83 2HB LEU 83 0.262 -0.093 -2.243 599 HG LEU 83 HG LEU 83 1.187 2.651 -3.088 600 HD11 LEU 83 1HD1 LEU 83 1.100 3.121 -0.684 601 HD12 LEU 83 2HD1 LEU 83 0.437 1.512 -0.399 602 HD13 LEU 83 3HD1 LEU 83 -0.485 2.693 -1.329 603 HD21 LEU 83 1HD2 LEU 83 2.594 0.582 -1.403 604 HD22 LEU 83 2HD2 LEU 83 3.157 2.222 -1.724 605 HD23 LEU 83 3HD2 LEU 83 3.044 1.054 -3.041 606 H LEU 84 H LEU 84 -0.058 -2.270 -3.965 607 HA LEU 84 HA LEU 84 -2.097 -1.876 -6.047 608 HB2 LEU 84 1HB LEU 84 -0.332 -3.209 -7.015 609 HB3 LEU 84 2HB LEU 84 -0.362 -4.306 -5.636 610 HG LEU 84 HG LEU 84 -2.662 -4.985 -6.303 611 HD11 LEU 84 1HD1 LEU 84 -2.421 -4.050 -9.035 612 HD12 LEU 84 2HD1 LEU 84 -2.566 -2.720 -7.887 613 HD13 LEU 84 3HD1 LEU 84 -3.796 -3.983 -7.934 614 HD21 LEU 84 1HD2 LEU 84 -1.142 -6.553 -6.980 615 HD22 LEU 84 2HD2 LEU 84 -0.250 -5.417 -7.993 616 HD23 LEU 84 3HD2 LEU 84 -1.796 -6.065 -8.543 617 H VAL 85 H VAL 85 -3.843 -1.673 -4.741 618 HA VAL 85 HA VAL 85 -4.305 -3.761 -2.720 619 HB VAL 85 HB VAL 85 -5.703 -2.297 -1.545 620 HG11 VAL 85 1HG1 VAL 85 -3.599 -1.532 -1.020 621 HG12 VAL 85 2HG1 VAL 85 -3.279 -0.962 -2.660 622 HG13 VAL 85 3HG1 VAL 85 -4.358 -0.051 -1.603 623 HG21 VAL 85 1HG2 VAL 85 -5.720 -0.462 -3.939 624 HG22 VAL 85 2HG2 VAL 85 -7.030 -1.549 -3.476 625 HG23 VAL 85 3HG2 VAL 85 -6.581 -0.208 -2.421 626 H LEU 86 H LEU 86 -6.370 -4.747 -2.564 627 HA LEU 86 HA LEU 86 -7.750 -4.904 -5.145 628 HB2 LEU 86 1HB LEU 86 -7.342 -6.758 -2.867 629 HB3 LEU 86 2HB LEU 86 -8.847 -6.906 -3.772 630 HG LEU 86 HG LEU 86 -6.803 -8.380 -4.402 631 HD11 LEU 86 1HD1 LEU 86 -8.816 -7.028 -6.072 632 HD12 LEU 86 2HD1 LEU 86 -8.486 -8.746 -5.852 633 HD13 LEU 86 3HD1 LEU 86 -7.482 -7.789 -6.939 634 HD21 LEU 86 1HD2 LEU 86 -5.510 -6.042 -4.630 635 HD22 LEU 86 2HD2 LEU 86 -6.082 -6.224 -6.288 636 HD23 LEU 86 3HD2 LEU 86 -5.081 -7.480 -5.557 637 H ASP 87 H ASP 87 -10.020 -4.811 -5.286 638 HA ASP 87 HA ASP 87 -11.241 -3.166 -3.200 639 HB2 ASP 87 1HB ASP 87 -11.973 -3.743 -6.067 640 HB3 ASP 87 2HB ASP 87 -13.083 -2.932 -4.965 641 H LYS 88 H LYS 88 -12.346 -5.827 -5.307 642 HA LYS 88 HA LYS 88 -14.555 -6.551 -3.772 643 HB2 LYS 88 1HB LYS 88 -13.842 -7.296 -6.152 644 HB3 LYS 88 2HB LYS 88 -12.964 -8.574 -5.322 645 HG2 LYS 88 1HG LYS 88 -14.969 -9.591 -5.822 646 HG3 LYS 88 2HG LYS 88 -15.229 -9.046 -4.163 647 HD2 LYS 88 1HD LYS 88 -16.403 -7.068 -4.996 648 HD3 LYS 88 2HD LYS 88 -16.131 -7.601 -6.657 649 HE2 LYS 88 1HE LYS 88 -17.589 -9.278 -4.630 650 HE3 LYS 88 2HE LYS 88 -18.410 -8.101 -5.655 651 HZ1 LYS 88 1HZ LYS 88 -17.207 -10.665 -6.362 652 HZ2 LYS 88 2HZ LYS 88 -17.085 -9.421 -7.501 653 HZ3 LYS 88 3HZ LYS 88 -18.606 -9.925 -6.959 654 H GLU 89 H GLU 89 -11.226 -7.768 -3.672 655 HA GLU 89 HA GLU 89 -11.862 -9.480 -1.407 656 HB2 GLU 89 1HB GLU 89 -9.233 -9.023 -2.829 657 HB3 GLU 89 2HB GLU 89 -9.536 -10.243 -1.600 658 HG2 GLU 89 1HG GLU 89 -10.788 -10.093 -4.332 659 HG3 GLU 89 2HG GLU 89 -9.574 -11.248 -3.786 660 H ALA 90 H ALA 90 -12.167 -6.692 -0.974 661 HA ALA 90 HA ALA 90 -9.875 -5.983 0.712 662 HB1 ALA 90 1HB ALA 90 -12.220 -4.206 0.121 663 HB2 ALA 90 2HB ALA 90 -10.592 -3.754 0.627 664 HB3 ALA 90 3HB ALA 90 -10.869 -4.374 -1.000 665 H GLU 91 H GLU 91 -13.425 -6.191 0.857 666 HA GLU 91 HA GLU 91 -13.862 -5.555 3.487 667 HB2 GLU 91 1HB GLU 91 -15.220 -7.669 1.809 668 HB3 GLU 91 2HB GLU 91 -15.819 -7.128 3.372 669 HG2 GLU 91 1HG GLU 91 -16.239 -4.944 2.556 670 HG3 GLU 91 2HG GLU 91 -15.367 -5.267 1.058 671 H SER 92 H SER 92 -13.948 -6.684 5.436 672 HA SER 92 HA SER 92 -12.470 -9.235 5.473 673 HB2 SER 92 1HB SER 92 -11.018 -7.566 6.397 674 HB3 SER 92 2HB SER 92 -12.313 -6.909 7.399 675 HG SER 92 HG SER 92 -12.197 -8.648 8.713 676 H ILE 93 H ILE 93 -13.489 -10.893 6.386 677 HA ILE 93 HA ILE 93 -16.120 -10.943 7.110 678 HB ILE 93 HB ILE 93 -15.678 -13.035 8.318 679 HG12 ILE 93 1HG1 ILE 93 -13.105 -13.710 8.102 680 HG13 ILE 93 2HG1 ILE 93 -12.895 -11.969 8.257 681 HG21 ILE 93 1HG2 ILE 93 -15.788 -13.744 6.202 682 HG22 ILE 93 2HG2 ILE 93 -14.754 -12.442 5.618 683 HG23 ILE 93 3HG2 ILE 93 -14.035 -13.899 6.301 684 HD11 ILE 93 1HD1 ILE 93 -13.122 -13.769 10.316 685 HD12 ILE 93 2HD1 ILE 93 -13.319 -12.020 10.437 686 HD13 ILE 93 3HD1 ILE 93 -14.732 -13.054 10.226 687 H TYR 94 H TYR 94 -17.296 -10.859 9.022 688 HA TYR 94 HA TYR 94 -16.414 -8.972 10.940 689 HB2 TYR 94 1HB TYR 94 -18.524 -9.633 12.155 690 HB3 TYR 94 2HB TYR 94 -18.756 -9.109 10.491 691 HD1 TYR 94 1HD TYR 94 -18.706 -12.034 12.735 692 HD2 TYR 94 2HD TYR 94 -19.610 -10.603 8.831 693 HE1 TYR 94 1HE TYR 94 -19.896 -14.131 12.248 694 HE2 TYR 94 2HE TYR 94 -20.803 -12.695 8.334 695 HH TYR 94 HH TYR 94 -20.878 -14.996 9.093 696 H SER 95 H SER 95 -15.626 -9.207 12.976 697 HA SER 95 HA SER 95 -15.591 -11.719 14.348 698 HB2 SER 95 1HB SER 95 -13.703 -11.832 12.585 699 HB3 SER 95 2HB SER 95 -12.868 -10.667 13.612 700 HG SER 95 HG SER 95 -12.997 -13.291 13.904 701 H LEU 96 H LEU 96 -15.779 -11.237 16.426 702 HA LEU 96 HA LEU 96 -14.900 -8.597 17.350 703 HB2 LEU 96 1HB LEU 96 -17.006 -10.515 18.182 704 HB3 LEU 96 2HB LEU 96 -16.287 -9.501 19.431 705 HG LEU 96 HG LEU 96 -18.319 -8.482 18.657 706 HD11 LEU 96 1HD1 LEU 96 -15.945 -7.203 18.862 707 HD12 LEU 96 2HD1 LEU 96 -17.491 -6.395 18.605 708 HD13 LEU 96 3HD1 LEU 96 -16.436 -6.734 17.234 709 HD21 LEU 96 1HD2 LEU 96 -18.076 -7.635 16.123 710 HD22 LEU 96 2HD2 LEU 96 -18.890 -9.134 16.569 711 HD23 LEU 96 3HD2 LEU 96 -17.219 -9.172 16.005 712 H SER 97 H SER 97 -14.286 -8.639 19.796 713 HA SER 97 HA SER 97 -12.584 -10.950 20.396 714 HB2 SER 97 1HB SER 97 -10.669 -9.606 20.867 715 HB3 SER 97 2HB SER 97 -11.254 -9.096 19.284 716 HG SER 97 HG SER 97 -12.518 -7.531 20.818 717 H GLY 98 H GLY 98 -13.178 -11.690 22.318 718 HA2 GLY 98 1HA GLY 98 -12.979 -10.542 24.737 719 HA3 GLY 98 2HA GLY 98 -14.551 -9.966 24.203 720 HA PRO 99 HA PRO 99 -14.516 -14.528 25.804 721 HB2 PRO 99 1HB PRO 99 -14.638 -14.202 28.497 722 HB3 PRO 99 2HB PRO 99 -13.116 -14.409 27.622 723 HG2 PRO 99 1HG PRO 99 -14.403 -11.895 28.615 724 HG3 PRO 99 2HG PRO 99 -12.700 -12.384 28.686 725 HD2 PRO 99 1HD PRO 99 -13.643 -10.656 26.827 726 HD3 PRO 99 2HD PRO 99 -12.303 -11.773 26.499 727 H SER 100 H SER 100 -16.389 -15.574 26.593 728 HA SER 100 HA SER 100 -18.668 -13.797 27.164 729 HB2 SER 100 1HB SER 100 -20.081 -14.992 25.711 730 HB3 SER 100 2HB SER 100 -18.579 -14.832 24.801 731 HG SER 100 HG SER 100 -18.090 -16.987 25.812 732 H SER 101 H SER 101 -16.755 -15.689 28.701 733 HA SER 101 HA SER 101 -18.878 -17.177 30.105 734 HB2 SER 101 1HB SER 101 -17.121 -18.810 30.762 735 HB3 SER 101 2HB SER 101 -17.363 -18.737 29.017 736 HG SER 101 HG SER 101 -15.219 -17.779 30.561 737 H GLY 102 H GLY 102 -19.093 -16.858 32.249 738 HA2 GLY 102 1HA GLY 102 -18.446 -16.279 34.423 739 HA3 GLY 102 2HA GLY 102 -16.923 -15.676 33.786 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -21.671 -10.371 -15.086 2 HA2 GLY 1 1HA GLY 1 -21.155 -7.494 -14.919 3 HA3 GLY 1 2HA GLY 1 -20.809 -8.464 -13.496 4 H SER 2 H SER 2 -19.817 -7.619 -16.707 5 HA SER 2 HA SER 2 -17.912 -9.514 -17.297 6 HB2 SER 2 1HB SER 2 -17.708 -6.530 -17.775 7 HB3 SER 2 2HB SER 2 -16.771 -7.770 -18.609 8 HG SER 2 HG SER 2 -18.635 -8.526 -19.554 9 H SER 3 H SER 3 -16.238 -10.249 -16.190 10 HA SER 3 HA SER 3 -15.272 -9.220 -13.811 11 HB2 SER 3 1HB SER 3 -13.842 -10.955 -15.837 12 HB3 SER 3 2HB SER 3 -13.286 -10.681 -14.186 13 HG SER 3 HG SER 3 -14.925 -12.531 -14.968 14 H GLY 4 H GLY 4 -12.858 -8.615 -13.494 15 HA2 GLY 4 1HA GLY 4 -11.007 -7.467 -14.805 16 HA3 GLY 4 2HA GLY 4 -12.287 -6.395 -15.353 17 H SER 5 H SER 5 -10.427 -4.999 -14.323 18 HA SER 5 HA SER 5 -9.781 -3.558 -12.682 19 HB2 SER 5 1HB SER 5 -12.305 -3.082 -12.937 20 HB3 SER 5 2HB SER 5 -12.485 -3.957 -11.417 21 HG SER 5 HG SER 5 -11.061 -1.565 -11.913 22 H SER 6 H SER 6 -8.944 -6.145 -12.253 23 HA SER 6 HA SER 6 -9.490 -6.825 -9.479 24 HB2 SER 6 1HB SER 6 -7.608 -8.154 -11.443 25 HB3 SER 6 2HB SER 6 -8.134 -8.805 -9.890 26 HG SER 6 HG SER 6 -9.317 -9.638 -11.700 27 H GLY 7 H GLY 7 -8.582 -5.057 -8.383 28 HA2 GLY 7 1HA GLY 7 -6.787 -4.425 -6.994 29 HA3 GLY 7 2HA GLY 7 -5.683 -5.255 -8.080 30 H ARG 8 H ARG 8 -6.542 -2.300 -6.982 31 HA ARG 8 HA ARG 8 -6.106 -0.893 -9.505 32 HB2 ARG 8 1HB ARG 8 -6.719 1.122 -8.289 33 HB3 ARG 8 2HB ARG 8 -7.927 -0.130 -8.031 34 HG2 ARG 8 1HG ARG 8 -7.101 -0.576 -5.837 35 HG3 ARG 8 2HG ARG 8 -5.708 0.476 -6.094 36 HD2 ARG 8 1HD ARG 8 -8.552 1.454 -6.206 37 HD3 ARG 8 2HD ARG 8 -7.597 1.446 -4.724 38 HE ARG 8 HE ARG 8 -6.112 2.757 -6.683 39 HH11 ARG 8 2HH1 ARG 8 -9.082 3.187 -4.918 40 HH12 ARG 8 1HH1 ARG 8 -9.023 4.917 -4.984 41 HH21 ARG 8 2HH2 ARG 8 -6.023 5.035 -6.777 42 HH22 ARG 8 1HH2 ARG 8 -7.284 5.967 -6.042 43 H VAL 9 H VAL 9 -4.463 0.690 -9.745 44 HA VAL 9 HA VAL 9 -2.053 0.059 -8.208 45 HB VAL 9 HB VAL 9 -2.321 1.666 -10.753 46 HG11 VAL 9 1HG1 VAL 9 -0.248 2.327 -10.280 47 HG12 VAL 9 2HG1 VAL 9 -0.131 1.216 -8.913 48 HG13 VAL 9 3HG1 VAL 9 0.255 0.657 -10.541 49 HG21 VAL 9 1HG2 VAL 9 -1.054 -0.534 -11.546 50 HG22 VAL 9 2HG2 VAL 9 -1.986 -1.234 -10.223 51 HG23 VAL 9 3HG2 VAL 9 -2.814 -0.411 -11.545 52 H VAL 10 H VAL 10 -1.175 1.431 -6.795 53 HA VAL 10 HA VAL 10 -2.179 4.204 -6.745 54 HB VAL 10 HB VAL 10 -1.211 2.666 -4.337 55 HG11 VAL 10 1HG1 VAL 10 -1.342 5.298 -4.575 56 HG12 VAL 10 2HG1 VAL 10 -3.042 5.003 -4.203 57 HG13 VAL 10 3HG1 VAL 10 -1.787 4.480 -3.079 58 HG21 VAL 10 1HG2 VAL 10 -4.094 3.252 -4.695 59 HG22 VAL 10 2HG2 VAL 10 -3.417 1.920 -5.632 60 HG23 VAL 10 3HG2 VAL 10 -3.304 1.907 -3.873 61 H VAL 11 H VAL 11 -0.721 5.854 -6.293 62 HA VAL 11 HA VAL 11 2.116 5.116 -6.112 63 HB VAL 11 HB VAL 11 1.022 7.199 -8.008 64 HG11 VAL 11 1HG1 VAL 11 3.726 6.561 -7.017 65 HG12 VAL 11 2HG1 VAL 11 3.579 6.839 -8.754 66 HG13 VAL 11 3HG1 VAL 11 3.064 8.082 -7.613 67 HG21 VAL 11 1HG2 VAL 11 2.559 4.856 -8.968 68 HG22 VAL 11 2HG2 VAL 11 0.896 4.571 -8.454 69 HG23 VAL 11 3HG2 VAL 11 1.236 5.736 -9.734 70 H ILE 12 H ILE 12 3.195 6.240 -4.621 71 HA ILE 12 HA ILE 12 2.152 8.852 -3.775 72 HB ILE 12 HB ILE 12 3.087 6.728 -1.844 73 HG12 ILE 12 1HG1 ILE 12 0.274 7.739 -1.947 74 HG13 ILE 12 2HG1 ILE 12 0.773 6.506 -3.100 75 HG21 ILE 12 1HG2 ILE 12 1.970 8.378 -0.219 76 HG22 ILE 12 2HG2 ILE 12 3.557 8.788 -0.866 77 HG23 ILE 12 3HG2 ILE 12 2.111 9.544 -1.534 78 HD11 ILE 12 1HD1 ILE 12 -0.313 5.734 -0.935 79 HD12 ILE 12 2HD1 ILE 12 1.189 4.944 -1.414 80 HD13 ILE 12 3HD1 ILE 12 1.204 6.177 -0.154 81 H LYS 13 H LYS 13 3.742 10.116 -2.519 82 HA LYS 13 HA LYS 13 6.530 9.345 -2.977 83 HB2 LYS 13 1HB LYS 13 5.776 12.173 -3.550 84 HB3 LYS 13 2HB LYS 13 7.105 11.217 -4.192 85 HG2 LYS 13 1HG LYS 13 5.740 10.153 -5.759 86 HG3 LYS 13 2HG LYS 13 4.260 10.619 -4.918 87 HD2 LYS 13 1HD LYS 13 4.583 11.943 -6.949 88 HD3 LYS 13 2HD LYS 13 4.654 12.957 -5.506 89 HE2 LYS 13 1HE LYS 13 6.436 13.692 -6.839 90 HE3 LYS 13 2HE LYS 13 7.184 12.653 -5.626 91 HZ1 LYS 13 1HZ LYS 13 7.884 11.249 -7.184 92 HZ2 LYS 13 2HZ LYS 13 7.501 12.442 -8.319 93 HZ3 LYS 13 3HZ LYS 13 6.387 11.217 -7.972 94 H LYS 14 H LYS 14 7.534 9.457 -1.091 95 HA LYS 14 HA LYS 14 6.686 10.306 1.299 96 HB2 LYS 14 1HB LYS 14 8.996 9.326 0.555 97 HB3 LYS 14 2HB LYS 14 9.504 11.010 0.560 98 HG2 LYS 14 1HG LYS 14 8.941 11.220 2.893 99 HG3 LYS 14 2HG LYS 14 8.286 9.581 2.913 100 HD2 LYS 14 1HD LYS 14 11.133 10.127 2.132 101 HD3 LYS 14 2HD LYS 14 10.659 9.940 3.822 102 HE2 LYS 14 1HE LYS 14 9.853 7.722 3.414 103 HE3 LYS 14 2HE LYS 14 10.073 7.908 1.675 104 HZ1 LYS 14 1HZ LYS 14 11.869 6.809 3.380 105 HZ2 LYS 14 2HZ LYS 14 12.475 8.375 3.177 106 HZ3 LYS 14 3HZ LYS 14 12.219 7.386 1.829 107 H GLY 15 H GLY 15 6.149 12.147 2.298 108 HA2 GLY 15 1HA GLY 15 7.310 14.679 1.511 109 HA3 GLY 15 2HA GLY 15 5.604 14.514 1.125 110 H SER 16 H SER 16 4.119 14.858 2.682 111 HA SER 16 HA SER 16 4.972 16.051 5.127 112 HB2 SER 16 1HB SER 16 2.902 16.712 3.892 113 HB3 SER 16 2HB SER 16 2.180 15.171 4.356 114 HG SER 16 HG SER 16 1.549 16.351 6.005 115 H ASN 17 H ASN 17 5.262 15.172 7.076 116 HA ASN 17 HA ASN 17 5.739 13.435 8.522 117 HB2 ASN 17 1HB ASN 17 2.760 13.425 8.090 118 HB3 ASN 17 2HB ASN 17 3.514 12.337 9.252 119 HD21 ASN 17 1HD2 ASN 17 4.854 13.336 10.924 120 HD22 ASN 17 2HD2 ASN 17 4.396 14.887 11.532 121 H GLY 18 H GLY 18 6.582 12.549 6.134 122 HA2 GLY 18 1HA GLY 18 7.280 10.495 5.300 123 HA3 GLY 18 2HA GLY 18 6.117 9.704 6.353 124 H TYR 19 H TYR 19 5.088 8.382 4.953 125 HA TYR 19 HA TYR 19 4.243 9.329 2.355 126 HB2 TYR 19 1HB TYR 19 3.974 6.695 3.794 127 HB3 TYR 19 2HB TYR 19 3.198 6.998 2.244 128 HD1 TYR 19 2HD TYR 19 4.624 7.509 0.244 129 HD2 TYR 19 1HD TYR 19 6.280 6.173 3.929 130 HE1 TYR 19 2HE TYR 19 6.699 6.886 -0.920 131 HE2 TYR 19 1HE TYR 19 8.360 5.548 2.775 132 HH TYR 19 HH TYR 19 9.537 5.789 0.842 133 H GLY 20 H GLY 20 2.626 8.115 5.291 134 HA2 GLY 20 1HA GLY 20 0.723 9.593 6.021 135 HA3 GLY 20 2HA GLY 20 0.167 9.463 4.359 136 H PHE 21 H PHE 21 1.095 6.587 4.345 137 HA PHE 21 HA PHE 21 -1.226 5.495 5.792 138 HB2 PHE 21 1HB PHE 21 -1.495 3.875 4.096 139 HB3 PHE 21 2HB PHE 21 -1.166 5.375 3.236 140 HD1 PHE 21 1HD PHE 21 1.234 5.797 2.475 141 HD2 PHE 21 2HD PHE 21 -0.197 1.987 3.721 142 HE1 PHE 21 1HE PHE 21 3.104 4.714 1.300 143 HE2 PHE 21 2HE PHE 21 1.672 0.898 2.549 144 HZ PHE 21 HZ PHE 21 3.326 2.261 1.337 145 H TYR 22 H TYR 22 -0.998 3.224 6.513 146 HA TYR 22 HA TYR 22 1.775 2.520 7.194 147 HB2 TYR 22 1HB TYR 22 -0.591 2.555 9.076 148 HB3 TYR 22 2HB TYR 22 0.959 1.812 9.452 149 HD1 TYR 22 1HD TYR 22 -0.831 4.974 8.992 150 HD2 TYR 22 2HD TYR 22 2.914 3.178 9.915 151 HE1 TYR 22 1HE TYR 22 -0.003 7.138 9.817 152 HE2 TYR 22 2HE TYR 22 3.752 5.337 10.743 153 HH TYR 22 HH TYR 22 2.057 8.283 10.233 154 H LEU 23 H LEU 23 1.912 0.227 8.038 155 HA LEU 23 HA LEU 23 -0.038 -1.494 6.656 156 HB2 LEU 23 1HB LEU 23 2.954 -1.805 6.824 157 HB3 LEU 23 2HB LEU 23 1.863 -3.058 6.236 158 HG LEU 23 HG LEU 23 2.246 -0.345 4.970 159 HD11 LEU 23 1HD1 LEU 23 3.648 -2.897 4.678 160 HD12 LEU 23 2HD1 LEU 23 4.140 -1.269 4.214 161 HD13 LEU 23 3HD1 LEU 23 3.076 -2.202 3.162 162 HD21 LEU 23 1HD2 LEU 23 0.450 -0.772 3.741 163 HD22 LEU 23 2HD2 LEU 23 0.124 -2.168 4.769 164 HD23 LEU 23 3HD2 LEU 23 1.077 -2.360 3.297 165 H ARG 24 H ARG 24 -0.734 -3.293 7.718 166 HA ARG 24 HA ARG 24 0.520 -3.979 10.276 167 HB2 ARG 24 1HB ARG 24 -1.509 -2.402 10.516 168 HB3 ARG 24 2HB ARG 24 -2.472 -3.796 10.044 169 HG2 ARG 24 1HG ARG 24 -1.541 -5.051 11.949 170 HG3 ARG 24 2HG ARG 24 -0.658 -3.604 12.439 171 HD2 ARG 24 1HD ARG 24 -2.575 -2.489 13.075 172 HD3 ARG 24 2HD ARG 24 -3.609 -3.454 12.022 173 HE ARG 24 HE ARG 24 -2.501 -5.104 14.013 174 HH11 ARG 24 2HH1 ARG 24 -4.826 -2.544 13.617 175 HH12 ARG 24 1HH1 ARG 24 -5.802 -3.046 14.958 176 HH21 ARG 24 2HH2 ARG 24 -3.776 -5.775 15.781 177 HH22 ARG 24 1HH2 ARG 24 -5.203 -4.883 16.189 178 H ALA 25 H ALA 25 0.413 -6.126 10.825 179 HA ALA 25 HA ALA 25 0.056 -8.000 8.754 180 HB1 ALA 25 1HB ALA 25 0.598 -8.158 11.674 181 HB2 ALA 25 2HB ALA 25 0.088 -9.623 10.833 182 HB3 ALA 25 3HB ALA 25 1.540 -8.768 10.312 183 H GLY 26 H GLY 26 -1.932 -8.187 7.860 184 HA2 GLY 26 1HA GLY 26 -4.345 -8.119 9.403 185 HA3 GLY 26 2HA GLY 26 -4.211 -8.508 7.695 186 HA PRO 27 HA PRO 27 -5.462 -12.384 9.843 187 HB2 PRO 27 1HB PRO 27 -7.179 -13.167 7.890 188 HB3 PRO 27 2HB PRO 27 -7.643 -12.067 9.193 189 HG2 PRO 27 1HG PRO 27 -6.851 -11.438 6.376 190 HG3 PRO 27 2HG PRO 27 -8.167 -10.753 7.347 191 HD2 PRO 27 1HD PRO 27 -5.809 -9.473 6.978 192 HD3 PRO 27 2HD PRO 27 -6.758 -9.316 8.471 193 H GLU 28 H GLU 28 -5.956 -14.574 8.307 194 HA GLU 28 HA GLU 28 -3.370 -15.364 7.495 195 HB2 GLU 28 1HB GLU 28 -6.087 -16.625 7.160 196 HB3 GLU 28 2HB GLU 28 -4.619 -17.390 6.568 197 HG2 GLU 28 1HG GLU 28 -3.724 -17.529 8.786 198 HG3 GLU 28 2HG GLU 28 -5.069 -16.592 9.433 199 H GLN 29 H GLN 29 -5.782 -13.624 5.886 200 HA GLN 29 HA GLN 29 -5.392 -14.493 3.228 201 HB2 GLN 29 1HB GLN 29 -6.379 -11.880 4.369 202 HB3 GLN 29 2HB GLN 29 -6.343 -12.219 2.644 203 HG2 GLN 29 1HG GLN 29 -7.991 -13.844 2.798 204 HG3 GLN 29 2HG GLN 29 -7.747 -14.065 4.530 205 HE21 GLN 29 1HE2 GLN 29 -8.721 -12.674 5.966 206 HE22 GLN 29 2HE2 GLN 29 -9.943 -11.547 5.498 207 H LYS 30 H LYS 30 -3.679 -14.281 1.965 208 HA LYS 30 HA LYS 30 -1.308 -13.031 2.675 209 HB2 LYS 30 1HB LYS 30 -2.448 -14.080 0.136 210 HB3 LYS 30 2HB LYS 30 -1.038 -13.036 0.013 211 HG2 LYS 30 1HG LYS 30 -0.040 -15.085 0.143 212 HG3 LYS 30 2HG LYS 30 -0.075 -14.636 1.850 213 HD2 LYS 30 1HD LYS 30 -2.413 -16.102 0.747 214 HD3 LYS 30 2HD LYS 30 -0.917 -17.004 1.001 215 HE2 LYS 30 1HE LYS 30 -0.899 -16.491 3.316 216 HE3 LYS 30 2HE LYS 30 -2.169 -15.283 3.129 217 HZ1 LYS 30 1HZ LYS 30 -2.949 -17.404 4.086 218 HZ2 LYS 30 2HZ LYS 30 -2.547 -18.186 2.641 219 HZ3 LYS 30 3HZ LYS 30 -3.747 -16.994 2.652 220 H GLY 31 H GLY 31 -0.569 -10.999 2.612 221 HA2 GLY 31 1HA GLY 31 -0.439 -8.916 1.270 222 HA3 GLY 31 2HA GLY 31 -2.190 -9.004 1.152 223 H GLN 32 H GLN 32 -0.399 -6.904 2.243 224 HA GLN 32 HA GLN 32 -1.022 -6.925 5.087 225 HB2 GLN 32 1HB GLN 32 0.459 -4.888 3.414 226 HB3 GLN 32 2HB GLN 32 0.295 -4.843 5.165 227 HG2 GLN 32 1HG GLN 32 1.648 -7.045 3.624 228 HG3 GLN 32 2HG GLN 32 2.477 -5.698 4.402 229 HE21 GLN 32 1HE2 GLN 32 0.870 -8.712 4.846 230 HE22 GLN 32 2HE2 GLN 32 1.208 -8.891 6.531 231 H ILE 33 H ILE 33 -2.031 -5.032 6.093 232 HA ILE 33 HA ILE 33 -4.146 -3.926 4.366 233 HB ILE 33 HB ILE 33 -4.334 -4.003 7.357 234 HG12 ILE 33 1HG1 ILE 33 -4.846 -6.253 5.420 235 HG13 ILE 33 2HG1 ILE 33 -3.902 -6.285 6.905 236 HG21 ILE 33 1HG2 ILE 33 -5.921 -2.663 5.985 237 HG22 ILE 33 2HG2 ILE 33 -6.456 -4.161 5.225 238 HG23 ILE 33 3HG2 ILE 33 -6.695 -3.916 6.955 239 HD11 ILE 33 1HD1 ILE 33 -6.888 -5.945 6.769 240 HD12 ILE 33 2HD1 ILE 33 -6.048 -7.459 7.103 241 HD13 ILE 33 3HD1 ILE 33 -5.908 -6.108 8.227 242 H ILE 34 H ILE 34 -4.731 -1.746 4.578 243 HA ILE 34 HA ILE 34 -2.607 -0.055 5.699 244 HB ILE 34 HB ILE 34 -4.698 0.542 3.605 245 HG12 ILE 34 1HG1 ILE 34 -1.684 0.305 3.490 246 HG13 ILE 34 2HG1 ILE 34 -2.849 -0.807 2.780 247 HG21 ILE 34 1HG2 ILE 34 -4.532 2.627 4.478 248 HG22 ILE 34 2HG2 ILE 34 -2.953 2.319 5.199 249 HG23 ILE 34 3HG2 ILE 34 -3.082 2.665 3.474 250 HD11 ILE 34 1HD1 ILE 34 -2.669 0.352 0.906 251 HD12 ILE 34 2HD1 ILE 34 -3.491 1.684 1.720 252 HD13 ILE 34 3HD1 ILE 34 -1.729 1.611 1.706 253 H LYS 35 H LYS 35 -3.080 1.704 7.017 254 HA LYS 35 HA LYS 35 -5.719 2.473 7.724 255 HB2 LYS 35 1HB LYS 35 -5.487 1.730 10.160 256 HB3 LYS 35 2HB LYS 35 -5.914 0.495 8.983 257 HG2 LYS 35 1HG LYS 35 -3.287 0.170 8.920 258 HG3 LYS 35 2HG LYS 35 -3.420 0.852 10.543 259 HD2 LYS 35 1HD LYS 35 -4.753 -1.627 9.470 260 HD3 LYS 35 2HD LYS 35 -3.546 -1.520 10.753 261 HE2 LYS 35 1HE LYS 35 -6.257 -0.222 10.928 262 HE3 LYS 35 2HE LYS 35 -5.936 -1.858 11.501 263 HZ1 LYS 35 1HZ LYS 35 -5.058 0.703 12.603 264 HZ2 LYS 35 2HZ LYS 35 -4.004 -0.612 12.752 265 HZ3 LYS 35 3HZ LYS 35 -5.564 -0.700 13.401 266 H ASP 36 H ASP 36 -5.708 4.020 9.598 267 HA ASP 36 HA ASP 36 -4.904 5.883 10.627 268 HB2 ASP 36 1HB ASP 36 -3.338 4.328 11.711 269 HB3 ASP 36 2HB ASP 36 -2.228 4.496 10.354 270 H ILE 37 H ILE 37 -5.345 6.037 7.899 271 HA ILE 37 HA ILE 37 -3.166 7.129 6.456 272 HB ILE 37 HB ILE 37 -6.136 7.455 6.018 273 HG12 ILE 37 1HG1 ILE 37 -4.085 5.600 4.791 274 HG13 ILE 37 2HG1 ILE 37 -5.416 5.141 5.849 275 HG21 ILE 37 1HG2 ILE 37 -3.963 7.953 4.002 276 HG22 ILE 37 2HG2 ILE 37 -5.678 8.345 3.883 277 HG23 ILE 37 3HG2 ILE 37 -4.646 9.234 5.003 278 HD11 ILE 37 1HD1 ILE 37 -5.789 4.661 3.441 279 HD12 ILE 37 2HD1 ILE 37 -7.021 5.689 4.175 280 HD13 ILE 37 3HD1 ILE 37 -5.779 6.399 3.144 281 H GLU 38 H GLU 38 -2.344 9.129 6.392 282 HA GLU 38 HA GLU 38 -3.365 11.104 8.248 283 HB2 GLU 38 1HB GLU 38 -0.926 10.999 6.478 284 HB3 GLU 38 2HB GLU 38 -1.346 12.418 7.426 285 HG2 GLU 38 1HG GLU 38 -1.177 9.796 8.811 286 HG3 GLU 38 2HG GLU 38 0.319 10.594 8.328 287 HA PRO 39 HA PRO 39 -5.677 13.439 5.321 288 HB2 PRO 39 1HB PRO 39 -5.644 15.849 6.570 289 HB3 PRO 39 2HB PRO 39 -6.623 14.489 7.132 290 HG2 PRO 39 1HG PRO 39 -3.968 15.451 8.126 291 HG3 PRO 39 2HG PRO 39 -5.383 14.918 9.052 292 HD2 PRO 39 1HD PRO 39 -3.241 13.320 8.614 293 HD3 PRO 39 2HD PRO 39 -4.893 12.685 8.754 294 H GLY 40 H GLY 40 -5.420 14.925 3.653 295 HA2 GLY 40 1HA GLY 40 -4.177 15.945 2.000 296 HA3 GLY 40 2HA GLY 40 -3.599 16.931 3.335 297 H SER 41 H SER 41 -2.916 13.554 3.416 298 HA SER 41 HA SER 41 -0.080 14.146 3.046 299 HB2 SER 41 1HB SER 41 0.373 12.108 4.177 300 HB3 SER 41 2HB SER 41 -0.986 12.830 5.039 301 HG SER 41 HG SER 41 -2.291 11.458 3.517 302 HA PRO 42 HA PRO 42 0.602 12.484 -0.941 303 HB2 PRO 42 1HB PRO 42 2.465 10.547 0.354 304 HB3 PRO 42 2HB PRO 42 2.743 11.636 -1.010 305 HG2 PRO 42 1HG PRO 42 3.697 12.186 1.433 306 HG3 PRO 42 2HG PRO 42 3.115 13.464 0.350 307 HD2 PRO 42 1HD PRO 42 1.879 12.337 2.786 308 HD3 PRO 42 2HD PRO 42 1.738 13.962 2.084 309 H ALA 43 H ALA 43 -0.061 10.292 1.712 310 HA ALA 43 HA ALA 43 -0.659 8.034 0.046 311 HB1 ALA 43 1HB ALA 43 -0.772 6.869 1.961 312 HB2 ALA 43 2HB ALA 43 -0.061 8.315 2.680 313 HB3 ALA 43 3HB ALA 43 -1.805 8.064 2.746 314 H GLU 44 H GLU 44 -2.545 10.514 1.723 315 HA GLU 44 HA GLU 44 -5.080 9.405 1.030 316 HB2 GLU 44 1HB GLU 44 -4.975 10.820 2.951 317 HB3 GLU 44 2HB GLU 44 -4.240 12.124 2.028 318 HG2 GLU 44 1HG GLU 44 -7.021 11.091 1.542 319 HG3 GLU 44 2HG GLU 44 -6.644 12.457 2.590 320 H ALA 45 H ALA 45 -3.069 12.000 -0.298 321 HA ALA 45 HA ALA 45 -4.887 12.858 -2.274 322 HB1 ALA 45 1HB ALA 45 -3.013 14.003 -3.276 323 HB2 ALA 45 2HB ALA 45 -2.931 14.165 -1.521 324 HB3 ALA 45 3HB ALA 45 -1.877 13.021 -2.351 325 H ALA 46 H ALA 46 -2.558 10.253 -2.173 326 HA ALA 46 HA ALA 46 -2.379 9.703 -4.920 327 HB1 ALA 46 1HB ALA 46 -1.588 7.494 -4.252 328 HB2 ALA 46 2HB ALA 46 -0.843 8.758 -3.273 329 HB3 ALA 46 3HB ALA 46 -2.152 7.782 -2.606 330 H GLY 47 H GLY 47 -4.817 8.929 -2.543 331 HA2 GLY 47 1HA GLY 47 -7.081 8.567 -3.380 332 HA3 GLY 47 2HA GLY 47 -6.376 7.616 -4.679 333 H LEU 48 H LEU 48 -4.865 7.083 -1.700 334 HA LEU 48 HA LEU 48 -5.512 4.373 -1.593 335 HB2 LEU 48 1HB LEU 48 -4.279 6.326 0.267 336 HB3 LEU 48 2HB LEU 48 -4.834 4.798 0.947 337 HG LEU 48 HG LEU 48 -2.701 5.239 -1.129 338 HD11 LEU 48 1HD1 LEU 48 -1.988 5.491 1.172 339 HD12 LEU 48 2HD1 LEU 48 -1.327 4.005 0.490 340 HD13 LEU 48 3HD1 LEU 48 -2.705 3.934 1.589 341 HD21 LEU 48 1HD2 LEU 48 -4.408 2.894 -0.645 342 HD22 LEU 48 2HD2 LEU 48 -2.675 2.569 -0.687 343 HD23 LEU 48 3HD2 LEU 48 -3.461 3.340 -2.065 344 H LYS 49 H LYS 49 -6.438 3.435 0.600 345 HA LYS 49 HA LYS 49 -8.708 4.865 1.648 346 HB2 LYS 49 1HB LYS 49 -9.051 2.551 -0.245 347 HB3 LYS 49 2HB LYS 49 -10.267 2.926 0.970 348 HG2 LYS 49 1HG LYS 49 -10.230 5.296 -0.027 349 HG3 LYS 49 2HG LYS 49 -9.413 4.543 -1.399 350 HD2 LYS 49 1HD LYS 49 -11.276 3.042 -1.736 351 HD3 LYS 49 2HD LYS 49 -12.075 3.658 -0.288 352 HE2 LYS 49 1HE LYS 49 -13.046 4.628 -2.303 353 HE3 LYS 49 2HE LYS 49 -12.257 5.864 -1.324 354 HZ1 LYS 49 1HZ LYS 49 -11.764 6.096 -3.693 355 HZ2 LYS 49 2HZ LYS 49 -11.059 4.559 -3.708 356 HZ3 LYS 49 3HZ LYS 49 -10.362 5.800 -2.794 357 H ASN 50 H ASN 50 -9.128 4.224 3.676 358 HA ASN 50 HA ASN 50 -7.463 2.527 5.083 359 HB2 ASN 50 1HB ASN 50 -10.317 3.318 5.700 360 HB3 ASN 50 2HB ASN 50 -9.230 2.544 6.849 361 HD21 ASN 50 1HD2 ASN 50 -7.011 3.719 6.933 362 HD22 ASN 50 2HD2 ASN 50 -7.109 5.434 7.117 363 H ASN 51 H ASN 51 -7.590 0.412 5.806 364 HA ASN 51 HA ASN 51 -8.166 -1.794 5.828 365 HB2 ASN 51 1HB ASN 51 -10.761 -1.144 4.452 366 HB3 ASN 51 2HB ASN 51 -10.412 -2.443 5.588 367 HD21 ASN 51 1HD2 ASN 51 -9.572 -1.540 7.774 368 HD22 ASN 51 2HD2 ASN 51 -10.529 -0.267 8.446 369 H ASP 52 H ASP 52 -6.779 -0.532 3.619 370 HA ASP 52 HA ASP 52 -7.698 -1.962 1.255 371 HB2 ASP 52 1HB ASP 52 -5.706 0.189 1.797 372 HB3 ASP 52 2HB ASP 52 -5.454 -0.830 0.383 373 H LEU 53 H LEU 53 -6.914 -3.857 0.603 374 HA LEU 53 HA LEU 53 -4.698 -5.033 2.101 375 HB2 LEU 53 1HB LEU 53 -6.890 -6.224 1.793 376 HB3 LEU 53 2HB LEU 53 -6.491 -6.364 0.082 377 HG LEU 53 HG LEU 53 -4.390 -7.599 0.852 378 HD11 LEU 53 1HD1 LEU 53 -5.968 -8.120 3.344 379 HD12 LEU 53 2HD1 LEU 53 -4.789 -6.812 3.265 380 HD13 LEU 53 3HD1 LEU 53 -4.275 -8.478 3.002 381 HD21 LEU 53 1HD2 LEU 53 -7.163 -8.724 1.173 382 HD22 LEU 53 2HD2 LEU 53 -5.707 -9.718 1.211 383 HD23 LEU 53 3HD2 LEU 53 -6.113 -8.804 -0.242 384 H VAL 54 H VAL 54 -2.739 -4.691 1.289 385 HA VAL 54 HA VAL 54 -2.364 -4.324 -1.573 386 HB VAL 54 HB VAL 54 -0.305 -4.219 0.636 387 HG11 VAL 54 1HG1 VAL 54 1.159 -4.154 -1.037 388 HG12 VAL 54 2HG1 VAL 54 -0.131 -4.103 -2.240 389 HG13 VAL 54 3HG1 VAL 54 0.456 -2.608 -1.510 390 HG21 VAL 54 1HG2 VAL 54 -2.395 -2.503 0.358 391 HG22 VAL 54 2HG2 VAL 54 -0.834 -2.075 1.057 392 HG23 VAL 54 3HG2 VAL 54 -1.168 -1.721 -0.638 393 H VAL 55 H VAL 55 -1.754 -5.892 -2.905 394 HA VAL 55 HA VAL 55 -0.767 -8.408 -1.755 395 HB VAL 55 HB VAL 55 -1.300 -9.331 -4.061 396 HG11 VAL 55 1HG1 VAL 55 -2.723 -9.753 -2.141 397 HG12 VAL 55 2HG1 VAL 55 -3.552 -8.215 -2.392 398 HG13 VAL 55 3HG1 VAL 55 -3.705 -9.505 -3.585 399 HG21 VAL 55 1HG2 VAL 55 -3.143 -7.034 -4.446 400 HG22 VAL 55 2HG2 VAL 55 -1.452 -6.820 -4.896 401 HG23 VAL 55 3HG2 VAL 55 -2.406 -8.105 -5.637 402 H ALA 56 H ALA 56 0.027 -5.842 -3.986 403 HA ALA 56 HA ALA 56 2.741 -6.927 -4.197 404 HB1 ALA 56 1HB ALA 56 1.070 -7.266 -6.267 405 HB2 ALA 56 2HB ALA 56 1.697 -5.663 -6.652 406 HB3 ALA 56 3HB ALA 56 2.806 -7.020 -6.454 407 H VAL 57 H VAL 57 4.368 -5.378 -4.478 408 HA VAL 57 HA VAL 57 3.541 -2.562 -4.384 409 HB VAL 57 HB VAL 57 5.638 -3.739 -2.557 410 HG11 VAL 57 1HG1 VAL 57 4.504 -1.093 -1.998 411 HG12 VAL 57 2HG1 VAL 57 6.178 -1.650 -1.936 412 HG13 VAL 57 3HG1 VAL 57 5.458 -1.186 -3.479 413 HG21 VAL 57 1HG2 VAL 57 3.404 -2.557 -1.200 414 HG22 VAL 57 2HG2 VAL 57 2.844 -3.825 -2.290 415 HG23 VAL 57 3HG2 VAL 57 4.056 -4.190 -1.062 416 H ASN 58 H ASN 58 4.602 -1.378 -5.826 417 HA ASN 58 HA ASN 58 6.160 -0.669 -7.323 418 HB2 ASN 58 1HB ASN 58 8.102 -2.361 -5.735 419 HB3 ASN 58 2HB ASN 58 8.508 -1.041 -6.828 420 HD21 ASN 58 1HD2 ASN 58 7.722 1.103 -6.247 421 HD22 ASN 58 2HD2 ASN 58 7.599 1.518 -4.574 422 H GLY 59 H GLY 59 4.638 -3.129 -7.773 423 HA2 GLY 59 1HA GLY 59 4.483 -4.593 -9.555 424 HA3 GLY 59 2HA GLY 59 6.057 -4.033 -10.099 425 H LYS 60 H LYS 60 5.429 -5.330 -6.900 426 HA LYS 60 HA LYS 60 6.731 -7.849 -7.642 427 HB2 LYS 60 1HB LYS 60 7.585 -6.057 -5.361 428 HB3 LYS 60 2HB LYS 60 8.145 -7.708 -5.592 429 HG2 LYS 60 1HG LYS 60 8.476 -5.834 -7.861 430 HG3 LYS 60 2HG LYS 60 9.509 -5.599 -6.449 431 HD2 LYS 60 1HD LYS 60 10.643 -7.035 -8.011 432 HD3 LYS 60 2HD LYS 60 10.171 -7.988 -6.602 433 HE2 LYS 60 1HE LYS 60 8.286 -7.869 -8.894 434 HE3 LYS 60 2HE LYS 60 9.752 -8.828 -9.087 435 HZ1 LYS 60 1HZ LYS 60 8.898 -10.425 -7.833 436 HZ2 LYS 60 2HZ LYS 60 7.422 -9.599 -7.839 437 HZ3 LYS 60 3HZ LYS 60 8.526 -9.349 -6.581 438 H SER 61 H SER 61 6.126 -9.620 -6.427 439 HA SER 61 HA SER 61 3.601 -9.444 -5.118 440 HB2 SER 61 1HB SER 61 4.298 -11.935 -4.525 441 HB3 SER 61 2HB SER 61 3.822 -11.486 -6.163 442 HG SER 61 HG SER 61 6.518 -11.339 -5.363 443 H VAL 62 H VAL 62 3.322 -8.712 -3.125 444 HA VAL 62 HA VAL 62 5.418 -9.231 -1.120 445 HB VAL 62 HB VAL 62 4.856 -7.246 0.006 446 HG11 VAL 62 1HG1 VAL 62 4.432 -6.278 -2.783 447 HG12 VAL 62 2HG1 VAL 62 5.475 -5.634 -1.513 448 HG13 VAL 62 3HG1 VAL 62 5.937 -7.102 -2.375 449 HG21 VAL 62 1HG2 VAL 62 2.365 -7.214 -1.684 450 HG22 VAL 62 2HG2 VAL 62 2.484 -7.362 0.070 451 HG23 VAL 62 3HG2 VAL 62 2.896 -5.838 -0.716 452 H GLU 63 H GLU 63 2.177 -9.818 -2.009 453 HA GLU 63 HA GLU 63 0.932 -10.156 0.468 454 HB2 GLU 63 1HB GLU 63 -0.793 -11.177 -0.681 455 HB3 GLU 63 2HB GLU 63 -0.020 -10.256 -1.963 456 HG2 GLU 63 1HG GLU 63 0.553 -13.155 -1.414 457 HG3 GLU 63 2HG GLU 63 -0.654 -12.592 -2.568 458 H ALA 64 H ALA 64 3.497 -11.874 -0.878 459 HA ALA 64 HA ALA 64 2.928 -14.300 0.666 460 HB1 ALA 64 1HB ALA 64 5.168 -13.806 -1.290 461 HB2 ALA 64 2HB ALA 64 4.695 -15.351 -0.584 462 HB3 ALA 64 3HB ALA 64 3.613 -14.526 -1.706 463 H LEU 65 H LEU 65 4.696 -11.409 0.841 464 HA LEU 65 HA LEU 65 6.795 -12.448 2.544 465 HB2 LEU 65 1HB LEU 65 6.091 -9.793 1.397 466 HB3 LEU 65 2HB LEU 65 7.129 -9.848 2.821 467 HG LEU 65 HG LEU 65 7.740 -11.279 0.238 468 HD11 LEU 65 1HD1 LEU 65 8.042 -9.179 -0.531 469 HD12 LEU 65 2HD1 LEU 65 9.562 -9.317 0.352 470 HD13 LEU 65 3HD1 LEU 65 8.189 -8.488 1.085 471 HD21 LEU 65 1HD2 LEU 65 9.457 -10.626 2.631 472 HD22 LEU 65 2HD2 LEU 65 9.975 -11.472 1.172 473 HD23 LEU 65 3HD2 LEU 65 8.790 -12.214 2.248 474 H ASP 66 H ASP 66 7.177 -10.921 4.587 475 HA ASP 66 HA ASP 66 4.684 -11.065 6.142 476 HB2 ASP 66 1HB ASP 66 6.029 -11.392 8.106 477 HB3 ASP 66 2HB ASP 66 6.601 -12.508 6.870 478 H HIS 67 H HIS 67 4.830 -9.507 8.139 479 HA HIS 67 HA HIS 67 4.319 -6.972 7.440 480 HB2 HIS 67 1HB HIS 67 4.037 -7.678 9.723 481 HB3 HIS 67 2HB HIS 67 5.774 -7.887 9.926 482 HD1 HIS 67 1HD HIS 67 3.393 -5.758 11.138 483 HD2 HIS 67 2HD HIS 67 6.929 -5.043 9.078 484 HE1 HIS 67 1HE HIS 67 4.021 -3.385 11.684 485 HE2 HIS 67 2HE HIS 67 6.118 -2.948 10.358 486 H ASP 68 H ASP 68 7.575 -8.073 8.386 487 HA ASP 68 HA ASP 68 8.861 -5.629 7.799 488 HB2 ASP 68 1HB ASP 68 9.991 -8.434 7.921 489 HB3 ASP 68 2HB ASP 68 10.952 -6.958 7.884 490 H GLY 69 H GLY 69 8.766 -8.690 5.962 491 HA2 GLY 69 1HA GLY 69 10.207 -8.003 3.747 492 HA3 GLY 69 2HA GLY 69 8.796 -9.049 3.686 493 H VAL 70 H VAL 70 6.677 -7.555 4.016 494 HA VAL 70 HA VAL 70 6.381 -6.159 1.604 495 HB VAL 70 HB VAL 70 4.618 -5.683 3.993 496 HG11 VAL 70 1HG1 VAL 70 4.432 -5.351 1.070 497 HG12 VAL 70 2HG1 VAL 70 2.991 -5.987 1.867 498 HG13 VAL 70 3HG1 VAL 70 3.666 -4.437 2.369 499 HG21 VAL 70 1HG2 VAL 70 5.166 -8.204 2.629 500 HG22 VAL 70 2HG2 VAL 70 4.357 -7.900 4.165 501 HG23 VAL 70 3HG2 VAL 70 3.456 -7.775 2.654 502 H VAL 71 H VAL 71 6.522 -4.885 4.933 503 HA VAL 71 HA VAL 71 6.437 -2.178 4.310 504 HB VAL 71 HB VAL 71 7.798 -3.583 6.607 505 HG11 VAL 71 1HG1 VAL 71 8.884 -1.620 6.850 506 HG12 VAL 71 2HG1 VAL 71 7.724 -0.732 5.858 507 HG13 VAL 71 3HG1 VAL 71 7.348 -1.099 7.542 508 HG21 VAL 71 1HG2 VAL 71 5.363 -1.924 6.920 509 HG22 VAL 71 2HG2 VAL 71 5.180 -3.484 6.117 510 HG23 VAL 71 3HG2 VAL 71 5.841 -3.404 7.751 511 H GLU 72 H GLU 72 9.034 -4.455 4.016 512 HA GLU 72 HA GLU 72 11.188 -2.616 3.959 513 HB2 GLU 72 1HB GLU 72 11.267 -5.168 4.240 514 HB3 GLU 72 2HB GLU 72 11.145 -5.242 2.488 515 HG2 GLU 72 1HG GLU 72 13.428 -5.391 2.943 516 HG3 GLU 72 2HG GLU 72 13.176 -3.723 2.431 517 H MET 73 H MET 73 9.252 -4.122 1.388 518 HA MET 73 HA MET 73 10.529 -3.176 -0.845 519 HB2 MET 73 1HB MET 73 7.568 -3.486 -0.342 520 HB3 MET 73 2HB MET 73 8.255 -3.169 -1.930 521 HG2 MET 73 1HG MET 73 9.003 -5.542 -0.245 522 HG3 MET 73 2HG MET 73 7.710 -5.562 -1.442 523 HE1 MET 73 1HE MET 73 10.222 -7.596 -3.464 524 HE2 MET 73 2HE MET 73 9.336 -7.730 -1.945 525 HE3 MET 73 3HE MET 73 8.507 -7.186 -3.405 526 H ILE 74 H ILE 74 7.962 -1.500 0.970 527 HA ILE 74 HA ILE 74 7.868 0.827 -0.551 528 HB ILE 74 HB ILE 74 7.404 0.512 2.416 529 HG12 ILE 74 1HG1 ILE 74 4.956 0.760 1.399 530 HG13 ILE 74 2HG1 ILE 74 5.744 0.090 -0.024 531 HG21 ILE 74 1HG2 ILE 74 5.962 2.581 2.040 532 HG22 ILE 74 2HG2 ILE 74 7.709 2.812 2.085 533 HG23 ILE 74 3HG2 ILE 74 6.863 2.790 0.538 534 HD11 ILE 74 1HD1 ILE 74 6.484 -1.426 2.282 535 HD12 ILE 74 2HD1 ILE 74 4.728 -1.286 2.190 536 HD13 ILE 74 3HD1 ILE 74 5.633 -1.943 0.827 537 H ARG 75 H ARG 75 10.073 -0.121 2.013 538 HA ARG 75 HA ARG 75 11.282 2.443 2.321 539 HB2 ARG 75 1HB ARG 75 12.222 -0.326 3.084 540 HB3 ARG 75 2HB ARG 75 13.072 1.152 3.515 541 HG2 ARG 75 1HG ARG 75 10.816 1.855 4.568 542 HG3 ARG 75 2HG ARG 75 10.441 0.132 4.494 543 HD2 ARG 75 1HD ARG 75 13.048 0.992 5.651 544 HD3 ARG 75 2HD ARG 75 11.585 1.191 6.615 545 HE ARG 75 HE ARG 75 11.882 -1.437 5.487 546 HH11 ARG 75 2HH1 ARG 75 12.688 0.641 8.162 547 HH12 ARG 75 1HH1 ARG 75 12.946 -0.666 9.269 548 HH21 ARG 75 2HH2 ARG 75 12.219 -3.167 6.935 549 HH22 ARG 75 1HH2 ARG 75 12.680 -2.832 8.570 550 H LYS 76 H LYS 76 11.723 -0.217 0.146 551 HA LYS 76 HA LYS 76 14.354 0.535 -0.721 552 HB2 LYS 76 1HB LYS 76 12.327 -1.272 -2.051 553 HB3 LYS 76 2HB LYS 76 14.031 -1.152 -2.467 554 HG2 LYS 76 1HG LYS 76 14.444 -1.822 -0.010 555 HG3 LYS 76 2HG LYS 76 12.762 -2.358 -0.043 556 HD2 LYS 76 1HD LYS 76 14.560 -3.220 -2.252 557 HD3 LYS 76 2HD LYS 76 14.752 -3.984 -0.672 558 HE2 LYS 76 1HE LYS 76 12.303 -4.479 -0.705 559 HE3 LYS 76 2HE LYS 76 12.258 -3.880 -2.362 560 HZ1 LYS 76 1HZ LYS 76 13.454 -6.337 -1.307 561 HZ2 LYS 76 2HZ LYS 76 14.177 -5.612 -2.653 562 HZ3 LYS 76 3HZ LYS 76 12.557 -6.097 -2.721 563 H GLY 77 H GLY 77 11.054 1.080 -1.841 564 HA2 GLY 77 1HA GLY 77 11.460 2.089 -4.363 565 HA3 GLY 77 2HA GLY 77 10.217 2.678 -3.269 566 H GLY 78 H GLY 78 12.327 3.559 -1.330 567 HA2 GLY 78 1HA GLY 78 13.842 5.313 -1.047 568 HA3 GLY 78 2HA GLY 78 13.730 5.657 -2.766 569 H ASP 79 H ASP 79 12.240 7.126 -3.508 570 HA ASP 79 HA ASP 79 11.024 8.800 -1.444 571 HB2 ASP 79 1HB ASP 79 11.879 9.217 -4.268 572 HB3 ASP 79 2HB ASP 79 10.555 10.206 -3.658 573 H GLN 80 H GLN 80 10.077 7.541 -4.648 574 HA GLN 80 HA GLN 80 7.284 7.551 -3.731 575 HB2 GLN 80 1HB GLN 80 6.611 7.705 -6.007 576 HB3 GLN 80 2HB GLN 80 7.908 8.872 -5.787 577 HG2 GLN 80 1HG GLN 80 9.437 7.579 -6.979 578 HG3 GLN 80 2HG GLN 80 8.456 6.121 -6.833 579 HE21 GLN 80 1HE2 GLN 80 8.183 9.424 -8.107 580 HE22 GLN 80 2HE2 GLN 80 7.381 8.976 -9.570 581 H THR 81 H THR 81 5.925 5.758 -4.243 582 HA THR 81 HA THR 81 7.191 3.293 -5.122 583 HB THR 81 HB THR 81 7.667 3.089 -2.802 584 HG1 THR 81 1HG THR 81 6.543 1.227 -2.367 585 HG21 THR 81 1HG2 THR 81 4.912 4.195 -2.447 586 HG22 THR 81 2HG2 THR 81 6.419 4.666 -1.663 587 HG23 THR 81 3HG2 THR 81 5.608 3.174 -1.190 588 H THR 82 H THR 82 5.681 1.621 -5.641 589 HA THR 82 HA THR 82 2.992 2.673 -6.194 590 HB THR 82 HB THR 82 4.403 0.329 -7.484 591 HG1 THR 82 1HG THR 82 3.843 2.897 -8.582 592 HG21 THR 82 1HG2 THR 82 2.460 -0.191 -8.446 593 HG22 THR 82 2HG2 THR 82 2.236 1.472 -8.991 594 HG23 THR 82 3HG2 THR 82 1.674 0.985 -7.392 595 H LEU 83 H LEU 83 1.227 1.752 -5.333 596 HA LEU 83 HA LEU 83 1.594 -0.738 -3.800 597 HB2 LEU 83 1HB LEU 83 -0.602 1.150 -3.137 598 HB3 LEU 83 2HB LEU 83 0.297 0.052 -2.091 599 HG LEU 83 HG LEU 83 1.272 2.703 -3.154 600 HD11 LEU 83 1HD1 LEU 83 0.034 1.815 -0.607 601 HD12 LEU 83 2HD1 LEU 83 -0.113 3.347 -1.467 602 HD13 LEU 83 3HD1 LEU 83 1.338 3.000 -0.526 603 HD21 LEU 83 1HD2 LEU 83 2.783 0.489 -2.442 604 HD22 LEU 83 2HD2 LEU 83 2.788 1.502 -0.998 605 HD23 LEU 83 3HD2 LEU 83 3.341 2.159 -2.539 606 H LEU 84 H LEU 84 0.352 -2.415 -4.339 607 HA LEU 84 HA LEU 84 -1.892 -1.933 -6.182 608 HB2 LEU 84 1HB LEU 84 -0.091 -3.260 -7.139 609 HB3 LEU 84 2HB LEU 84 -0.196 -4.396 -5.795 610 HG LEU 84 HG LEU 84 -2.345 -5.169 -6.544 611 HD11 LEU 84 1HD1 LEU 84 -3.465 -3.305 -7.365 612 HD12 LEU 84 2HD1 LEU 84 -3.160 -4.266 -8.811 613 HD13 LEU 84 3HD1 LEU 84 -2.147 -2.868 -8.452 614 HD21 LEU 84 1HD2 LEU 84 -0.577 -6.333 -7.578 615 HD22 LEU 84 2HD2 LEU 84 -0.238 -5.000 -8.682 616 HD23 LEU 84 3HD2 LEU 84 -1.712 -5.950 -8.873 617 H VAL 85 H VAL 85 -3.655 -1.771 -4.905 618 HA VAL 85 HA VAL 85 -4.129 -3.930 -2.955 619 HB VAL 85 HB VAL 85 -5.410 -2.485 -1.630 620 HG11 VAL 85 1HG1 VAL 85 -3.694 -1.302 -0.848 621 HG12 VAL 85 2HG1 VAL 85 -2.792 -1.818 -2.274 622 HG13 VAL 85 3HG1 VAL 85 -3.657 -0.280 -2.284 623 HG21 VAL 85 1HG2 VAL 85 -5.393 -0.484 -3.888 624 HG22 VAL 85 2HG2 VAL 85 -6.750 -1.521 -3.449 625 HG23 VAL 85 3HG2 VAL 85 -6.185 -0.285 -2.325 626 H LEU 86 H LEU 86 -6.404 -4.571 -2.673 627 HA LEU 86 HA LEU 86 -7.788 -4.599 -5.266 628 HB2 LEU 86 1HB LEU 86 -7.520 -6.537 -3.040 629 HB3 LEU 86 2HB LEU 86 -9.051 -6.518 -3.912 630 HG LEU 86 HG LEU 86 -7.720 -6.859 -6.027 631 HD11 LEU 86 1HD1 LEU 86 -5.562 -6.094 -4.994 632 HD12 LEU 86 2HD1 LEU 86 -5.471 -7.602 -5.904 633 HD13 LEU 86 3HD1 LEU 86 -5.507 -7.637 -4.141 634 HD21 LEU 86 1HD2 LEU 86 -8.940 -8.671 -4.952 635 HD22 LEU 86 2HD2 LEU 86 -7.562 -8.991 -3.898 636 HD23 LEU 86 3HD2 LEU 86 -7.424 -9.257 -5.636 637 H ASP 87 H ASP 87 -10.068 -4.356 -5.342 638 HA ASP 87 HA ASP 87 -11.164 -2.860 -3.052 639 HB2 ASP 87 1HB ASP 87 -11.389 -2.467 -6.002 640 HB3 ASP 87 2HB ASP 87 -12.765 -2.022 -4.996 641 H LYS 88 H LYS 88 -12.381 -4.666 -5.881 642 HA LYS 88 HA LYS 88 -14.876 -5.301 -5.149 643 HB2 LYS 88 1HB LYS 88 -13.479 -6.147 -7.154 644 HB3 LYS 88 2HB LYS 88 -13.084 -7.513 -6.118 645 HG2 LYS 88 1HG LYS 88 -14.891 -8.372 -7.184 646 HG3 LYS 88 2HG LYS 88 -15.714 -7.588 -5.833 647 HD2 LYS 88 1HD LYS 88 -16.289 -5.705 -7.183 648 HD3 LYS 88 2HD LYS 88 -15.261 -6.266 -8.504 649 HE2 LYS 88 1HE LYS 88 -16.769 -8.359 -8.484 650 HE3 LYS 88 2HE LYS 88 -17.886 -7.361 -7.555 651 HZ1 LYS 88 1HZ LYS 88 -17.542 -5.695 -9.473 652 HZ2 LYS 88 2HZ LYS 88 -18.570 -7.017 -9.712 653 HZ3 LYS 88 3HZ LYS 88 -17.001 -7.041 -10.345 654 H GLU 89 H GLU 89 -12.039 -7.184 -4.092 655 HA GLU 89 HA GLU 89 -13.645 -8.121 -1.805 656 HB2 GLU 89 1HB GLU 89 -11.942 -10.103 -1.897 657 HB3 GLU 89 2HB GLU 89 -13.332 -10.089 -2.973 658 HG2 GLU 89 1HG GLU 89 -10.813 -8.862 -3.943 659 HG3 GLU 89 2HG GLU 89 -10.898 -10.620 -3.836 660 H ALA 90 H ALA 90 -12.722 -6.045 -0.923 661 HA ALA 90 HA ALA 90 -9.953 -6.388 0.006 662 HB1 ALA 90 1HB ALA 90 -9.685 -4.142 -0.017 663 HB2 ALA 90 2HB ALA 90 -10.989 -4.236 -1.202 664 HB3 ALA 90 3HB ALA 90 -11.350 -3.827 0.475 665 H GLU 91 H GLU 91 -13.241 -5.691 1.102 666 HA GLU 91 HA GLU 91 -12.417 -5.759 3.889 667 HB2 GLU 91 1HB GLU 91 -15.180 -5.462 2.697 668 HB3 GLU 91 2HB GLU 91 -14.750 -5.225 4.385 669 HG2 GLU 91 1HG GLU 91 -13.958 -3.545 2.027 670 HG3 GLU 91 2HG GLU 91 -14.951 -3.083 3.408 671 H SER 92 H SER 92 -11.807 -7.845 4.326 672 HA SER 92 HA SER 92 -13.968 -9.840 4.249 673 HB2 SER 92 1HB SER 92 -12.423 -10.403 2.457 674 HB3 SER 92 2HB SER 92 -11.056 -10.311 3.567 675 HG SER 92 HG SER 92 -12.268 -12.019 4.768 676 H ILE 93 H ILE 93 -14.390 -9.361 6.441 677 HA ILE 93 HA ILE 93 -12.258 -10.017 8.347 678 HB ILE 93 HB ILE 93 -13.630 -8.983 10.056 679 HG12 ILE 93 1HG1 ILE 93 -15.729 -7.719 9.140 680 HG13 ILE 93 2HG1 ILE 93 -15.671 -8.924 7.858 681 HG21 ILE 93 1HG2 ILE 93 -12.389 -7.275 9.257 682 HG22 ILE 93 2HG2 ILE 93 -12.904 -7.538 7.592 683 HG23 ILE 93 3HG2 ILE 93 -13.956 -6.677 8.714 684 HD11 ILE 93 1HD1 ILE 93 -16.781 -10.315 9.162 685 HD12 ILE 93 2HD1 ILE 93 -15.430 -10.309 10.296 686 HD13 ILE 93 3HD1 ILE 93 -16.742 -9.146 10.482 687 H TYR 94 H TYR 94 -12.357 -11.755 9.658 688 HA TYR 94 HA TYR 94 -13.962 -13.942 9.028 689 HB2 TYR 94 1HB TYR 94 -12.929 -15.055 10.798 690 HB3 TYR 94 2HB TYR 94 -11.751 -13.815 10.382 691 HD1 TYR 94 1HD TYR 94 -14.387 -14.740 12.805 692 HD2 TYR 94 2HD TYR 94 -11.131 -12.140 11.945 693 HE1 TYR 94 1HE TYR 94 -14.422 -13.938 15.130 694 HE2 TYR 94 2HE TYR 94 -11.156 -11.332 14.268 695 HH TYR 94 HH TYR 94 -11.926 -12.203 16.513 696 H SER 95 H SER 95 -16.018 -14.387 9.428 697 HA SER 95 HA SER 95 -17.498 -12.731 11.315 698 HB2 SER 95 1HB SER 95 -18.213 -14.475 9.006 699 HB3 SER 95 2HB SER 95 -19.421 -14.257 10.272 700 HG SER 95 HG SER 95 -18.099 -12.017 9.214 701 H LEU 96 H LEU 96 -19.442 -14.130 12.326 702 HA LEU 96 HA LEU 96 -18.172 -16.396 13.717 703 HB2 LEU 96 1HB LEU 96 -19.917 -14.185 14.725 704 HB3 LEU 96 2HB LEU 96 -19.870 -15.735 15.564 705 HG LEU 96 HG LEU 96 -17.335 -15.376 15.689 706 HD11 LEU 96 1HD1 LEU 96 -17.099 -13.600 14.095 707 HD12 LEU 96 2HD1 LEU 96 -16.673 -12.985 15.691 708 HD13 LEU 96 3HD1 LEU 96 -18.239 -12.590 14.984 709 HD21 LEU 96 1HD2 LEU 96 -19.494 -14.504 17.317 710 HD22 LEU 96 2HD2 LEU 96 -18.208 -13.301 17.413 711 HD23 LEU 96 3HD2 LEU 96 -17.870 -14.988 17.806 712 H SER 97 H SER 97 -19.640 -16.679 11.322 713 HA SER 97 HA SER 97 -22.303 -17.199 11.401 714 HB2 SER 97 1HB SER 97 -20.582 -17.594 9.499 715 HB3 SER 97 2HB SER 97 -20.459 -19.225 10.158 716 HG SER 97 HG SER 97 -22.162 -19.598 8.991 717 H GLY 98 H GLY 98 -23.562 -18.326 12.718 718 HA2 GLY 98 1HA GLY 98 -24.223 -20.497 13.563 719 HA3 GLY 98 2HA GLY 98 -22.523 -20.851 13.833 720 HA PRO 99 HA PRO 99 -24.743 -18.726 17.554 721 HB2 PRO 99 1HB PRO 99 -25.862 -20.852 18.820 722 HB3 PRO 99 2HB PRO 99 -26.734 -19.870 17.637 723 HG2 PRO 99 1HG PRO 99 -25.381 -22.515 17.274 724 HG3 PRO 99 2HG PRO 99 -26.953 -21.970 16.662 725 HD2 PRO 99 1HD PRO 99 -24.728 -22.023 15.120 726 HD3 PRO 99 2HD PRO 99 -26.009 -20.813 14.906 727 H SER 100 H SER 100 -22.999 -21.730 17.117 728 HA SER 100 HA SER 100 -22.078 -22.500 19.495 729 HB2 SER 100 1HB SER 100 -19.991 -23.144 18.482 730 HB3 SER 100 2HB SER 100 -21.255 -23.315 17.264 731 HG SER 100 HG SER 100 -19.162 -21.476 17.422 732 H SER 101 H SER 101 -20.482 -19.843 17.724 733 HA SER 101 HA SER 101 -18.977 -19.035 20.018 734 HB2 SER 101 1HB SER 101 -18.242 -18.721 17.629 735 HB3 SER 101 2HB SER 101 -19.458 -17.451 17.486 736 HG SER 101 HG SER 101 -16.993 -17.327 18.559 737 H GLY 102 H GLY 102 -19.792 -17.981 21.697 738 HA2 GLY 102 1HA GLY 102 -20.815 -15.569 21.958 739 HA3 GLY 102 2HA GLY 102 -22.238 -16.411 21.363 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -4.175 -8.873 -25.831 2 HA2 GLY 1 1HA GLY 1 -4.033 -6.161 -24.742 3 HA3 GLY 1 2HA GLY 1 -4.811 -6.635 -26.245 4 H SER 2 H SER 2 -5.149 -7.641 -22.841 5 HA SER 2 HA SER 2 -7.960 -6.815 -22.939 6 HB2 SER 2 1HB SER 2 -6.939 -9.559 -22.207 7 HB3 SER 2 2HB SER 2 -8.525 -8.975 -21.704 8 HG SER 2 HG SER 2 -8.682 -8.485 -24.124 9 H SER 3 H SER 3 -8.180 -5.384 -21.360 10 HA SER 3 HA SER 3 -6.471 -5.461 -19.025 11 HB2 SER 3 1HB SER 3 -8.502 -3.527 -20.099 12 HB3 SER 3 2HB SER 3 -7.950 -3.393 -18.429 13 HG SER 3 HG SER 3 -5.755 -3.608 -19.646 14 H GLY 4 H GLY 4 -7.227 -5.543 -16.859 15 HA2 GLY 4 1HA GLY 4 -9.478 -5.713 -15.594 16 HA3 GLY 4 2HA GLY 4 -9.677 -7.146 -16.590 17 H SER 5 H SER 5 -6.968 -5.780 -14.717 18 HA SER 5 HA SER 5 -6.440 -8.454 -13.655 19 HB2 SER 5 1HB SER 5 -4.827 -5.969 -14.002 20 HB3 SER 5 2HB SER 5 -4.386 -7.061 -12.690 21 HG SER 5 HG SER 5 -4.851 -8.172 -15.206 22 H SER 6 H SER 6 -6.848 -9.014 -11.612 23 HA SER 6 HA SER 6 -8.410 -7.394 -9.928 24 HB2 SER 6 1HB SER 6 -8.048 -9.160 -8.230 25 HB3 SER 6 2HB SER 6 -8.485 -9.832 -9.800 26 HG SER 6 HG SER 6 -6.765 -11.009 -9.361 27 H GLY 7 H GLY 7 -7.863 -5.790 -8.611 28 HA2 GLY 7 1HA GLY 7 -6.558 -4.937 -6.785 29 HA3 GLY 7 2HA GLY 7 -5.162 -5.779 -7.440 30 H ARG 8 H ARG 8 -6.462 -2.812 -7.003 31 HA ARG 8 HA ARG 8 -5.605 -1.641 -9.519 32 HB2 ARG 8 1HB ARG 8 -6.458 0.442 -8.643 33 HB3 ARG 8 2HB ARG 8 -7.639 -0.828 -8.351 34 HG2 ARG 8 1HG ARG 8 -7.679 0.193 -6.325 35 HG3 ARG 8 2HG ARG 8 -6.384 -0.970 -6.032 36 HD2 ARG 8 1HD ARG 8 -5.803 1.285 -5.246 37 HD3 ARG 8 2HD ARG 8 -4.717 0.721 -6.515 38 HE ARG 8 HE ARG 8 -5.390 2.487 -7.783 39 HH11 ARG 8 2HH1 ARG 8 -7.834 1.856 -5.385 40 HH12 ARG 8 1HH1 ARG 8 -8.800 3.227 -5.820 41 HH21 ARG 8 2HH2 ARG 8 -6.653 4.295 -8.365 42 HH22 ARG 8 1HH2 ARG 8 -8.128 4.614 -7.516 43 H VAL 9 H VAL 9 -3.939 -0.115 -9.729 44 HA VAL 9 HA VAL 9 -1.778 -0.472 -7.796 45 HB VAL 9 HB VAL 9 -1.703 0.842 -10.515 46 HG11 VAL 9 1HG1 VAL 9 0.223 1.659 -9.700 47 HG12 VAL 9 2HG1 VAL 9 0.258 0.512 -8.360 48 HG13 VAL 9 3HG1 VAL 9 0.831 0.024 -9.956 49 HG21 VAL 9 1HG2 VAL 9 -1.502 -1.166 -11.452 50 HG22 VAL 9 2HG2 VAL 9 -0.278 -1.658 -10.281 51 HG23 VAL 9 3HG2 VAL 9 -1.989 -1.863 -9.907 52 H VAL 10 H VAL 10 -0.787 1.195 -6.714 53 HA VAL 10 HA VAL 10 -2.022 3.859 -6.972 54 HB VAL 10 HB VAL 10 -1.158 2.565 -4.381 55 HG11 VAL 10 1HG1 VAL 10 -2.264 5.264 -5.077 56 HG12 VAL 10 2HG1 VAL 10 -2.474 4.576 -3.466 57 HG13 VAL 10 3HG1 VAL 10 -0.853 4.860 -4.100 58 HG21 VAL 10 1HG2 VAL 10 -3.129 1.458 -4.926 59 HG22 VAL 10 2HG2 VAL 10 -3.689 2.799 -3.927 60 HG23 VAL 10 3HG2 VAL 10 -3.839 2.885 -5.682 61 H VAL 11 H VAL 11 -0.660 5.624 -6.118 62 HA VAL 11 HA VAL 11 2.205 5.040 -6.051 63 HB VAL 11 HB VAL 11 0.963 7.061 -7.922 64 HG11 VAL 11 1HG1 VAL 11 3.737 6.727 -8.381 65 HG12 VAL 11 2HG1 VAL 11 2.880 8.177 -7.855 66 HG13 VAL 11 3HG1 VAL 11 3.514 7.044 -6.660 67 HG21 VAL 11 1HG2 VAL 11 1.879 5.722 -9.701 68 HG22 VAL 11 2HG2 VAL 11 2.632 4.626 -8.543 69 HG23 VAL 11 3HG2 VAL 11 0.875 4.697 -8.674 70 H ILE 12 H ILE 12 3.388 6.418 -4.792 71 HA ILE 12 HA ILE 12 2.129 8.847 -3.771 72 HB ILE 12 HB ILE 12 3.365 6.902 -1.837 73 HG12 ILE 12 1HG1 ILE 12 0.396 7.245 -2.223 74 HG13 ILE 12 2HG1 ILE 12 1.300 5.991 -3.065 75 HG21 ILE 12 1HG2 ILE 12 1.909 8.265 -0.255 76 HG22 ILE 12 2HG2 ILE 12 3.313 9.075 -0.948 77 HG23 ILE 12 3HG2 ILE 12 1.703 9.392 -1.596 78 HD11 ILE 12 1HD1 ILE 12 0.098 5.620 -0.709 79 HD12 ILE 12 2HD1 ILE 12 1.542 4.739 -1.210 80 HD13 ILE 12 3HD1 ILE 12 1.687 6.139 -0.148 81 H LYS 13 H LYS 13 3.582 10.385 -2.968 82 HA LYS 13 HA LYS 13 6.433 9.775 -3.388 83 HB2 LYS 13 1HB LYS 13 5.440 12.539 -3.887 84 HB3 LYS 13 2HB LYS 13 6.787 11.681 -4.623 85 HG2 LYS 13 1HG LYS 13 5.359 11.718 -6.387 86 HG3 LYS 13 2HG LYS 13 4.838 10.210 -5.631 87 HD2 LYS 13 1HD LYS 13 2.847 11.365 -6.074 88 HD3 LYS 13 2HD LYS 13 3.146 11.645 -4.357 89 HE2 LYS 13 1HE LYS 13 4.360 13.784 -5.173 90 HE3 LYS 13 2HE LYS 13 3.459 13.526 -6.667 91 HZ1 LYS 13 1HZ LYS 13 2.553 14.839 -4.465 92 HZ2 LYS 13 2HZ LYS 13 1.812 13.325 -4.333 93 HZ3 LYS 13 3HZ LYS 13 1.593 14.253 -5.729 94 H LYS 14 H LYS 14 7.425 9.862 -1.489 95 HA LYS 14 HA LYS 14 6.629 10.681 0.918 96 HB2 LYS 14 1HB LYS 14 8.982 9.849 0.037 97 HB3 LYS 14 2HB LYS 14 9.382 11.557 0.162 98 HG2 LYS 14 1HG LYS 14 9.213 11.572 2.448 99 HG3 LYS 14 2HG LYS 14 8.096 10.206 2.483 100 HD2 LYS 14 1HD LYS 14 10.915 9.837 1.542 101 HD3 LYS 14 2HD LYS 14 10.546 9.867 3.268 102 HE2 LYS 14 1HE LYS 14 8.910 8.122 1.498 103 HE3 LYS 14 2HE LYS 14 10.553 7.614 1.884 104 HZ1 LYS 14 1HZ LYS 14 10.063 7.487 4.140 105 HZ2 LYS 14 2HZ LYS 14 8.682 6.842 3.406 106 HZ3 LYS 14 3HZ LYS 14 8.661 8.424 4.004 107 H GLY 15 H GLY 15 6.556 12.545 2.176 108 HA2 GLY 15 1HA GLY 15 6.843 15.086 0.697 109 HA3 GLY 15 2HA GLY 15 5.451 14.767 1.722 110 H SER 16 H SER 16 5.588 15.118 3.884 111 HA SER 16 HA SER 16 8.176 16.117 4.877 112 HB2 SER 16 1HB SER 16 6.231 17.763 4.682 113 HB3 SER 16 2HB SER 16 5.477 16.867 6.001 114 HG SER 16 HG SER 16 8.120 17.696 6.336 115 H ASN 17 H ASN 17 5.214 14.402 5.817 116 HA ASN 17 HA ASN 17 6.670 13.246 8.095 117 HB2 ASN 17 1HB ASN 17 3.693 13.070 7.693 118 HB3 ASN 17 2HB ASN 17 4.610 12.924 9.189 119 HD21 ASN 17 1HD2 ASN 17 2.421 14.578 8.974 120 HD22 ASN 17 2HD2 ASN 17 2.937 16.223 9.081 121 H GLY 18 H GLY 18 7.312 12.215 5.630 122 HA2 GLY 18 1HA GLY 18 7.713 10.051 4.867 123 HA3 GLY 18 2HA GLY 18 6.488 9.460 5.980 124 H TYR 19 H TYR 19 4.999 8.403 4.853 125 HA TYR 19 HA TYR 19 4.192 9.451 2.233 126 HB2 TYR 19 1HB TYR 19 3.998 6.724 3.495 127 HB3 TYR 19 2HB TYR 19 3.059 7.146 2.067 128 HD1 TYR 19 2HD TYR 19 4.796 8.600 0.359 129 HD2 TYR 19 1HD TYR 19 5.762 5.354 2.935 130 HE1 TYR 19 2HE TYR 19 6.717 8.044 -1.072 131 HE2 TYR 19 1HE TYR 19 7.687 4.790 1.512 132 HH TYR 19 HH TYR 19 8.089 5.602 -1.445 133 H GLY 20 H GLY 20 2.660 7.855 5.039 134 HA2 GLY 20 1HA GLY 20 0.882 9.177 6.174 135 HA3 GLY 20 2HA GLY 20 0.298 9.568 4.563 136 H PHE 21 H PHE 21 1.452 6.414 5.627 137 HA PHE 21 HA PHE 21 -1.206 5.364 5.975 138 HB2 PHE 21 1HB PHE 21 -1.263 3.879 4.121 139 HB3 PHE 21 2HB PHE 21 -0.842 5.457 3.463 140 HD1 PHE 21 1HD PHE 21 1.616 5.938 3.013 141 HD2 PHE 21 2HD PHE 21 0.094 2.029 3.739 142 HE1 PHE 21 1HE PHE 21 3.619 4.967 1.964 143 HE2 PHE 21 2HE PHE 21 2.095 1.052 2.692 144 HZ PHE 21 HZ PHE 21 3.861 2.521 1.804 145 H TYR 22 H TYR 22 -1.195 3.592 7.247 146 HA TYR 22 HA TYR 22 1.436 2.464 7.930 147 HB2 TYR 22 1HB TYR 22 -1.097 2.543 9.582 148 HB3 TYR 22 2HB TYR 22 0.436 1.848 10.094 149 HD1 TYR 22 2HD TYR 22 2.380 3.324 10.526 150 HD2 TYR 22 1HD TYR 22 -1.474 4.902 9.651 151 HE1 TYR 22 2HE TYR 22 3.081 5.510 11.408 152 HE2 TYR 22 1HE TYR 22 -0.782 7.093 10.530 153 HH TYR 22 HH TYR 22 1.016 8.343 11.150 154 H LEU 23 H LEU 23 1.548 0.187 8.420 155 HA LEU 23 HA LEU 23 -0.445 -1.377 6.916 156 HB2 LEU 23 1HB LEU 23 2.500 -1.812 7.342 157 HB3 LEU 23 2HB LEU 23 1.430 -3.062 6.711 158 HG LEU 23 HG LEU 23 2.028 -0.407 5.407 159 HD11 LEU 23 1HD1 LEU 23 3.889 -1.537 4.832 160 HD12 LEU 23 2HD1 LEU 23 2.814 -2.299 3.660 161 HD13 LEU 23 3HD1 LEU 23 3.174 -3.111 5.183 162 HD21 LEU 23 1HD2 LEU 23 0.807 -2.250 3.645 163 HD22 LEU 23 2HD2 LEU 23 0.184 -0.700 4.210 164 HD23 LEU 23 3HD2 LEU 23 -0.184 -2.177 5.102 165 H ARG 24 H ARG 24 -0.822 -3.584 7.677 166 HA ARG 24 HA ARG 24 -0.088 -4.215 10.402 167 HB2 ARG 24 1HB ARG 24 -2.100 -2.695 10.555 168 HB3 ARG 24 2HB ARG 24 -3.014 -3.942 9.716 169 HG2 ARG 24 1HG ARG 24 -2.821 -5.444 11.508 170 HG3 ARG 24 2HG ARG 24 -1.535 -4.501 12.264 171 HD2 ARG 24 1HD ARG 24 -3.039 -2.791 12.904 172 HD3 ARG 24 2HD ARG 24 -4.316 -3.429 11.869 173 HE ARG 24 HE ARG 24 -3.648 -4.288 14.525 174 HH11 ARG 24 2HH1 ARG 24 -5.077 -5.238 11.495 175 HH12 ARG 24 1HH1 ARG 24 -6.060 -6.478 12.199 176 HH21 ARG 24 2HH2 ARG 24 -4.938 -5.918 15.463 177 HH22 ARG 24 1HH2 ARG 24 -5.981 -6.864 14.456 178 H ALA 25 H ALA 25 -0.188 -6.381 10.835 179 HA ALA 25 HA ALA 25 -0.199 -8.188 8.701 180 HB1 ALA 25 1HB ALA 25 0.994 -8.701 10.717 181 HB2 ALA 25 2HB ALA 25 -0.497 -8.679 11.660 182 HB3 ALA 25 3HB ALA 25 -0.231 -9.945 10.461 183 H GLY 26 H GLY 26 -1.901 -8.684 7.479 184 HA2 GLY 26 1HA GLY 26 -4.596 -8.524 8.501 185 HA3 GLY 26 2HA GLY 26 -4.121 -8.962 6.866 186 HA PRO 27 HA PRO 27 -5.524 -12.716 9.379 187 HB2 PRO 27 1HB PRO 27 -7.790 -13.234 7.976 188 HB3 PRO 27 2HB PRO 27 -7.758 -12.180 9.394 189 HG2 PRO 27 1HG PRO 27 -7.738 -11.450 6.491 190 HG3 PRO 27 2HG PRO 27 -8.652 -10.718 7.823 191 HD2 PRO 27 1HD PRO 27 -6.383 -9.618 6.836 192 HD3 PRO 27 2HD PRO 27 -6.850 -9.473 8.542 193 H GLU 28 H GLU 28 -6.562 -14.797 8.046 194 HA GLU 28 HA GLU 28 -4.568 -16.037 6.743 195 HB2 GLU 28 1HB GLU 28 -7.535 -16.248 6.440 196 HB3 GLU 28 2HB GLU 28 -6.503 -17.172 5.358 197 HG2 GLU 28 1HG GLU 28 -5.979 -17.326 8.276 198 HG3 GLU 28 2HG GLU 28 -7.380 -18.174 7.625 199 H GLN 29 H GLN 29 -6.669 -13.604 5.382 200 HA GLN 29 HA GLN 29 -6.091 -13.997 2.660 201 HB2 GLN 29 1HB GLN 29 -7.072 -11.884 2.280 202 HB3 GLN 29 2HB GLN 29 -7.914 -12.541 3.678 203 HG2 GLN 29 1HG GLN 29 -6.314 -11.202 5.104 204 HG3 GLN 29 2HG GLN 29 -5.818 -10.394 3.618 205 HE21 GLN 29 1HE2 GLN 29 -8.979 -11.451 4.822 206 HE22 GLN 29 2HE2 GLN 29 -9.728 -9.898 4.725 207 H LYS 30 H LYS 30 -4.177 -13.908 1.710 208 HA LYS 30 HA LYS 30 -1.853 -12.847 2.865 209 HB2 LYS 30 1HB LYS 30 -2.385 -13.351 -0.069 210 HB3 LYS 30 2HB LYS 30 -0.806 -13.211 0.693 211 HG2 LYS 30 1HG LYS 30 -2.829 -15.355 1.307 212 HG3 LYS 30 2HG LYS 30 -1.451 -15.539 0.220 213 HD2 LYS 30 1HD LYS 30 -0.525 -16.373 2.131 214 HD3 LYS 30 2HD LYS 30 -0.133 -14.666 2.350 215 HE2 LYS 30 1HE LYS 30 -1.055 -15.094 4.388 216 HE3 LYS 30 2HE LYS 30 -2.516 -14.650 3.507 217 HZ1 LYS 30 1HZ LYS 30 -1.740 -17.460 3.447 218 HZ2 LYS 30 2HZ LYS 30 -3.280 -16.763 3.523 219 HZ3 LYS 30 3HZ LYS 30 -2.329 -16.866 4.918 220 H GLY 31 H GLY 31 -0.951 -10.873 2.867 221 HA2 GLY 31 1HA GLY 31 -0.537 -8.836 1.468 222 HA3 GLY 31 2HA GLY 31 -2.280 -8.785 1.251 223 H GLN 32 H GLN 32 -0.464 -6.779 2.389 224 HA GLN 32 HA GLN 32 -1.103 -6.736 5.218 225 HB2 GLN 32 1HB GLN 32 0.285 -4.643 3.536 226 HB3 GLN 32 2HB GLN 32 0.224 -4.698 5.293 227 HG2 GLN 32 1HG GLN 32 1.553 -6.737 3.522 228 HG3 GLN 32 2HG GLN 32 2.372 -5.463 4.424 229 HE21 GLN 32 1HE2 GLN 32 1.521 -5.472 6.841 230 HE22 GLN 32 2HE2 GLN 32 1.639 -7.014 7.610 231 H ILE 33 H ILE 33 -2.323 -5.099 6.239 232 HA ILE 33 HA ILE 33 -4.356 -3.901 4.483 233 HB ILE 33 HB ILE 33 -4.589 -4.284 7.463 234 HG12 ILE 33 1HG1 ILE 33 -5.350 -6.147 5.212 235 HG13 ILE 33 2HG1 ILE 33 -4.301 -6.488 6.584 236 HG21 ILE 33 1HG2 ILE 33 -7.025 -4.147 6.923 237 HG22 ILE 33 2HG2 ILE 33 -6.123 -2.665 6.610 238 HG23 ILE 33 3HG2 ILE 33 -6.577 -3.719 5.272 239 HD11 ILE 33 1HD1 ILE 33 -6.427 -6.009 7.989 240 HD12 ILE 33 2HD1 ILE 33 -7.272 -6.313 6.471 241 HD13 ILE 33 3HD1 ILE 33 -6.243 -7.561 7.173 242 H ILE 34 H ILE 34 -4.830 -1.743 4.580 243 HA ILE 34 HA ILE 34 -2.863 -0.073 5.957 244 HB ILE 34 HB ILE 34 -4.840 0.558 3.768 245 HG12 ILE 34 1HG1 ILE 34 -1.821 0.421 3.861 246 HG13 ILE 34 2HG1 ILE 34 -2.899 -0.668 2.995 247 HG21 ILE 34 1HG2 ILE 34 -2.955 2.390 5.239 248 HG22 ILE 34 2HG2 ILE 34 -3.751 2.798 3.720 249 HG23 ILE 34 3HG2 ILE 34 -4.714 2.497 5.166 250 HD11 ILE 34 1HD1 ILE 34 -3.648 1.430 1.720 251 HD12 ILE 34 2HD1 ILE 34 -2.178 2.162 2.363 252 HD13 ILE 34 3HD1 ILE 34 -2.076 0.727 1.342 253 H LYS 35 H LYS 35 -3.498 1.776 7.171 254 HA LYS 35 HA LYS 35 -6.174 2.387 7.821 255 HB2 LYS 35 1HB LYS 35 -6.107 1.608 10.212 256 HB3 LYS 35 2HB LYS 35 -6.252 0.324 9.019 257 HG2 LYS 35 1HG LYS 35 -3.618 0.310 9.244 258 HG3 LYS 35 2HG LYS 35 -3.999 0.993 10.826 259 HD2 LYS 35 1HD LYS 35 -5.011 -1.614 9.694 260 HD3 LYS 35 2HD LYS 35 -3.838 -1.414 10.997 261 HE2 LYS 35 1HE LYS 35 -6.556 -0.193 11.233 262 HE3 LYS 35 2HE LYS 35 -6.337 -1.913 11.552 263 HZ1 LYS 35 1HZ LYS 35 -5.219 -1.511 13.448 264 HZ2 LYS 35 2HZ LYS 35 -6.051 -0.039 13.406 265 HZ3 LYS 35 3HZ LYS 35 -4.454 -0.123 12.855 266 H ASP 36 H ASP 36 -6.228 3.765 9.928 267 HA ASP 36 HA ASP 36 -5.592 5.763 10.830 268 HB2 ASP 36 1HB ASP 36 -2.906 4.379 10.980 269 HB3 ASP 36 2HB ASP 36 -3.426 5.752 11.953 270 H ILE 37 H ILE 37 -5.735 6.039 8.168 271 HA ILE 37 HA ILE 37 -3.331 6.959 6.951 272 HB ILE 37 HB ILE 37 -6.232 7.304 6.216 273 HG12 ILE 37 1HG1 ILE 37 -3.995 5.750 4.898 274 HG13 ILE 37 2HG1 ILE 37 -5.195 5.052 5.981 275 HG21 ILE 37 1HG2 ILE 37 -5.661 9.032 4.938 276 HG22 ILE 37 2HG2 ILE 37 -3.949 8.810 5.295 277 HG23 ILE 37 3HG2 ILE 37 -4.698 7.911 3.975 278 HD11 ILE 37 1HD1 ILE 37 -6.148 6.548 3.601 279 HD12 ILE 37 2HD1 ILE 37 -5.463 4.939 3.374 280 HD13 ILE 37 3HD1 ILE 37 -6.858 5.163 4.430 281 H GLU 38 H GLU 38 -2.426 8.933 6.909 282 HA GLU 38 HA GLU 38 -3.388 10.926 8.744 283 HB2 GLU 38 1HB GLU 38 -0.999 10.724 6.930 284 HB3 GLU 38 2HB GLU 38 -1.377 12.221 7.770 285 HG2 GLU 38 1HG GLU 38 -0.988 9.582 9.155 286 HG3 GLU 38 2HG GLU 38 0.296 10.764 8.907 287 HA PRO 39 HA PRO 39 -5.768 13.336 5.934 288 HB2 PRO 39 1HB PRO 39 -5.650 15.729 7.211 289 HB3 PRO 39 2HB PRO 39 -6.629 14.377 7.793 290 HG2 PRO 39 1HG PRO 39 -3.924 15.284 8.699 291 HG3 PRO 39 2HG PRO 39 -5.312 14.761 9.670 292 HD2 PRO 39 1HD PRO 39 -3.214 13.136 9.134 293 HD3 PRO 39 2HD PRO 39 -4.870 12.525 9.327 294 H GLY 40 H GLY 40 -5.527 14.778 4.245 295 HA2 GLY 40 1HA GLY 40 -4.309 15.772 2.554 296 HA3 GLY 40 2HA GLY 40 -3.740 16.795 3.865 297 H SER 41 H SER 41 -3.097 13.350 3.448 298 HA SER 41 HA SER 41 -0.233 14.000 3.279 299 HB2 SER 41 1HB SER 41 0.255 12.062 4.461 300 HB3 SER 41 2HB SER 41 -1.282 12.531 5.187 301 HG SER 41 HG SER 41 -2.301 11.057 3.741 302 HA PRO 42 HA PRO 42 0.402 12.520 -0.787 303 HB2 PRO 42 1HB PRO 42 2.358 10.608 0.403 304 HB3 PRO 42 2HB PRO 42 2.569 11.751 -0.928 305 HG2 PRO 42 1HG PRO 42 3.555 12.252 1.513 306 HG3 PRO 42 2HG PRO 42 2.906 13.544 0.487 307 HD2 PRO 42 1HD PRO 42 1.762 12.293 2.906 308 HD3 PRO 42 2HD PRO 42 1.550 13.934 2.263 309 H ALA 43 H ALA 43 -0.190 10.252 1.804 310 HA ALA 43 HA ALA 43 -0.682 7.992 0.117 311 HB1 ALA 43 1HB ALA 43 -0.865 8.590 3.003 312 HB2 ALA 43 2HB ALA 43 -1.913 7.307 2.399 313 HB3 ALA 43 3HB ALA 43 -0.168 7.200 2.171 314 H GLU 44 H GLU 44 -2.730 10.347 1.805 315 HA GLU 44 HA GLU 44 -5.178 9.173 0.911 316 HB2 GLU 44 1HB GLU 44 -5.030 10.515 2.975 317 HB3 GLU 44 2HB GLU 44 -4.654 11.938 2.014 318 HG2 GLU 44 1HG GLU 44 -6.794 12.186 1.280 319 HG3 GLU 44 2HG GLU 44 -7.149 10.463 1.388 320 H ALA 45 H ALA 45 -3.061 11.719 -0.240 321 HA ALA 45 HA ALA 45 -4.864 12.756 -2.191 322 HB1 ALA 45 1HB ALA 45 -3.182 14.234 -1.504 323 HB2 ALA 45 2HB ALA 45 -1.908 13.039 -1.750 324 HB3 ALA 45 3HB ALA 45 -2.718 13.763 -3.139 325 H ALA 46 H ALA 46 -2.711 10.060 -2.079 326 HA ALA 46 HA ALA 46 -2.357 9.740 -4.890 327 HB1 ALA 46 1HB ALA 46 -1.671 7.390 -4.206 328 HB2 ALA 46 2HB ALA 46 -0.731 8.721 -3.530 329 HB3 ALA 46 3HB ALA 46 -1.946 7.909 -2.543 330 H GLY 47 H GLY 47 -4.753 8.681 -2.566 331 HA2 GLY 47 1HA GLY 47 -7.000 8.332 -3.579 332 HA3 GLY 47 2HA GLY 47 -6.187 7.322 -4.766 333 H LEU 48 H LEU 48 -4.745 6.888 -1.794 334 HA LEU 48 HA LEU 48 -5.417 4.216 -1.537 335 HB2 LEU 48 1HB LEU 48 -4.282 6.270 0.280 336 HB3 LEU 48 2HB LEU 48 -4.838 4.761 0.999 337 HG LEU 48 HG LEU 48 -2.698 5.076 -1.103 338 HD11 LEU 48 1HD1 LEU 48 -1.866 5.716 1.032 339 HD12 LEU 48 2HD1 LEU 48 -1.283 4.083 0.709 340 HD13 LEU 48 3HD1 LEU 48 -2.635 4.335 1.814 341 HD21 LEU 48 1HD2 LEU 48 -2.623 2.494 -0.105 342 HD22 LEU 48 2HD2 LEU 48 -3.195 2.989 -1.698 343 HD23 LEU 48 3HD2 LEU 48 -4.339 2.805 -0.368 344 H LYS 49 H LYS 49 -6.341 3.530 0.845 345 HA LYS 49 HA LYS 49 -8.661 4.942 1.697 346 HB2 LYS 49 1HB LYS 49 -8.980 2.621 -0.182 347 HB3 LYS 49 2HB LYS 49 -10.210 2.968 1.026 348 HG2 LYS 49 1HG LYS 49 -10.037 5.393 -0.002 349 HG3 LYS 49 2HG LYS 49 -9.448 4.493 -1.402 350 HD2 LYS 49 1HD LYS 49 -11.795 4.711 -1.674 351 HD3 LYS 49 2HD LYS 49 -11.498 3.041 -1.186 352 HE2 LYS 49 1HE LYS 49 -12.125 3.563 1.093 353 HE3 LYS 49 2HE LYS 49 -12.318 5.266 0.678 354 HZ1 LYS 49 1HZ LYS 49 -14.326 4.901 -0.205 355 HZ2 LYS 49 2HZ LYS 49 -14.307 3.465 0.688 356 HZ3 LYS 49 3HZ LYS 49 -13.870 3.450 -0.946 357 H ASN 50 H ASN 50 -9.152 4.353 3.727 358 HA ASN 50 HA ASN 50 -7.555 2.702 5.241 359 HB2 ASN 50 1HB ASN 50 -10.475 3.154 5.856 360 HB3 ASN 50 2HB ASN 50 -9.151 2.925 6.994 361 HD21 ASN 50 1HD2 ASN 50 -8.826 4.731 8.059 362 HD22 ASN 50 2HD2 ASN 50 -8.786 6.321 7.382 363 H ASN 51 H ASN 51 -7.518 0.581 5.795 364 HA ASN 51 HA ASN 51 -8.048 -1.640 5.850 365 HB2 ASN 51 1HB ASN 51 -10.697 -1.011 4.555 366 HB3 ASN 51 2HB ASN 51 -10.286 -2.372 5.595 367 HD21 ASN 51 1HD2 ASN 51 -9.289 -1.479 7.784 368 HD22 ASN 51 2HD2 ASN 51 -10.296 -0.318 8.573 369 H ASP 52 H ASP 52 -6.675 -0.412 3.675 370 HA ASP 52 HA ASP 52 -7.634 -1.722 1.265 371 HB2 ASP 52 1HB ASP 52 -5.539 0.291 1.909 372 HB3 ASP 52 2HB ASP 52 -5.289 -0.710 0.481 373 H LEU 53 H LEU 53 -6.900 -3.596 0.474 374 HA LEU 53 HA LEU 53 -4.798 -4.977 1.976 375 HB2 LEU 53 1HB LEU 53 -7.053 -6.025 1.633 376 HB3 LEU 53 2HB LEU 53 -6.671 -6.123 -0.085 377 HG LEU 53 HG LEU 53 -4.665 -7.527 0.588 378 HD11 LEU 53 1HD1 LEU 53 -6.123 -7.388 3.208 379 HD12 LEU 53 2HD1 LEU 53 -4.416 -7.094 2.878 380 HD13 LEU 53 3HD1 LEU 53 -5.060 -8.733 2.794 381 HD21 LEU 53 1HD2 LEU 53 -7.381 -8.663 1.238 382 HD22 LEU 53 2HD2 LEU 53 -5.960 -9.548 0.681 383 HD23 LEU 53 3HD2 LEU 53 -6.769 -8.409 -0.396 384 H VAL 54 H VAL 54 -2.820 -4.719 1.178 385 HA VAL 54 HA VAL 54 -2.425 -4.326 -1.684 386 HB VAL 54 HB VAL 54 -0.335 -4.321 0.494 387 HG11 VAL 54 1HG1 VAL 54 1.162 -3.849 -1.090 388 HG12 VAL 54 2HG1 VAL 54 -0.058 -4.373 -2.252 389 HG13 VAL 54 3HG1 VAL 54 0.102 -2.663 -1.851 390 HG21 VAL 54 1HG2 VAL 54 -0.708 -2.114 0.923 391 HG22 VAL 54 2HG2 VAL 54 -1.360 -1.795 -0.684 392 HG23 VAL 54 3HG2 VAL 54 -2.356 -2.602 0.527 393 H VAL 55 H VAL 55 -1.758 -5.867 -3.029 394 HA VAL 55 HA VAL 55 -0.788 -8.397 -1.870 395 HB VAL 55 HB VAL 55 -1.516 -9.394 -4.090 396 HG11 VAL 55 1HG1 VAL 55 -3.460 -8.281 -2.089 397 HG12 VAL 55 2HG1 VAL 55 -3.975 -9.336 -3.407 398 HG13 VAL 55 3HG1 VAL 55 -2.818 -9.919 -2.209 399 HG21 VAL 55 1HG2 VAL 55 -2.896 -6.721 -4.294 400 HG22 VAL 55 2HG2 VAL 55 -1.705 -7.393 -5.408 401 HG23 VAL 55 3HG2 VAL 55 -3.302 -8.130 -5.274 402 H ALA 56 H ALA 56 0.005 -5.751 -3.872 403 HA ALA 56 HA ALA 56 2.592 -6.959 -4.467 404 HB1 ALA 56 1HB ALA 56 1.931 -5.588 -6.821 405 HB2 ALA 56 2HB ALA 56 2.140 -7.327 -6.608 406 HB3 ALA 56 3HB ALA 56 0.540 -6.603 -6.440 407 H VAL 57 H VAL 57 4.261 -5.472 -4.746 408 HA VAL 57 HA VAL 57 3.561 -2.639 -4.370 409 HB VAL 57 HB VAL 57 5.686 -4.181 -2.880 410 HG11 VAL 57 1HG1 VAL 57 5.512 -1.521 -1.949 411 HG12 VAL 57 2HG1 VAL 57 6.880 -2.315 -2.732 412 HG13 VAL 57 3HG1 VAL 57 5.689 -1.448 -3.702 413 HG21 VAL 57 1HG2 VAL 57 3.430 -2.514 -1.788 414 HG22 VAL 57 2HG2 VAL 57 3.301 -4.251 -2.064 415 HG23 VAL 57 3HG2 VAL 57 4.481 -3.626 -0.911 416 H ASN 58 H ASN 58 4.282 -1.536 -6.059 417 HA ASN 58 HA ASN 58 5.609 -0.766 -7.738 418 HB2 ASN 58 1HB ASN 58 7.814 -2.240 -6.279 419 HB3 ASN 58 2HB ASN 58 8.036 -1.000 -7.509 420 HD21 ASN 58 1HD2 ASN 58 9.336 -0.124 -5.670 421 HD22 ASN 58 2HD2 ASN 58 8.523 0.917 -4.556 422 H GLY 59 H GLY 59 4.244 -3.348 -7.948 423 HA2 GLY 59 1HA GLY 59 4.008 -4.845 -9.702 424 HA3 GLY 59 2HA GLY 59 5.516 -4.242 -10.374 425 H LYS 60 H LYS 60 5.092 -5.510 -7.118 426 HA LYS 60 HA LYS 60 6.426 -7.999 -7.865 427 HB2 LYS 60 1HB LYS 60 7.465 -6.174 -5.689 428 HB3 LYS 60 2HB LYS 60 8.098 -7.764 -6.091 429 HG2 LYS 60 1HG LYS 60 7.998 -5.672 -8.208 430 HG3 LYS 60 2HG LYS 60 9.258 -5.595 -6.973 431 HD2 LYS 60 1HD LYS 60 10.142 -7.686 -7.598 432 HD3 LYS 60 2HD LYS 60 8.708 -8.101 -8.540 433 HE2 LYS 60 1HE LYS 60 10.361 -5.718 -9.275 434 HE3 LYS 60 2HE LYS 60 10.872 -7.334 -9.758 435 HZ1 LYS 60 1HZ LYS 60 8.867 -5.687 -10.892 436 HZ2 LYS 60 2HZ LYS 60 8.194 -7.157 -10.399 437 HZ3 LYS 60 3HZ LYS 60 9.502 -7.144 -11.471 438 H SER 61 H SER 61 5.729 -9.716 -6.724 439 HA SER 61 HA SER 61 3.440 -9.517 -5.111 440 HB2 SER 61 1HB SER 61 3.965 -11.942 -4.548 441 HB3 SER 61 2HB SER 61 3.814 -11.568 -6.265 442 HG SER 61 HG SER 61 5.782 -12.796 -5.228 443 H VAL 62 H VAL 62 3.162 -9.148 -3.008 444 HA VAL 62 HA VAL 62 5.484 -9.403 -1.214 445 HB VAL 62 HB VAL 62 4.964 -7.396 -0.080 446 HG11 VAL 62 1HG1 VAL 62 6.128 -6.480 -1.763 447 HG12 VAL 62 2HG1 VAL 62 5.190 -7.323 -2.998 448 HG13 VAL 62 3HG1 VAL 62 4.571 -5.834 -2.282 449 HG21 VAL 62 1HG2 VAL 62 2.994 -6.030 -0.569 450 HG22 VAL 62 2HG2 VAL 62 2.449 -7.230 -1.740 451 HG23 VAL 62 3HG2 VAL 62 2.536 -7.645 -0.029 452 H GLU 63 H GLU 63 2.048 -9.694 -1.701 453 HA GLU 63 HA GLU 63 0.989 -10.039 0.768 454 HB2 GLU 63 1HB GLU 63 -0.677 -11.411 -0.189 455 HB3 GLU 63 2HB GLU 63 -0.146 -10.350 -1.486 456 HG2 GLU 63 1HG GLU 63 1.056 -13.065 -1.156 457 HG3 GLU 63 2HG GLU 63 -0.494 -12.857 -1.968 458 H ALA 64 H ALA 64 3.383 -12.022 -0.726 459 HA ALA 64 HA ALA 64 3.012 -14.275 1.037 460 HB1 ALA 64 1HB ALA 64 3.841 -14.897 -1.047 461 HB2 ALA 64 2HB ALA 64 5.016 -13.581 -1.080 462 HB3 ALA 64 3HB ALA 64 5.263 -14.957 -0.005 463 H LEU 65 H LEU 65 5.305 -11.592 0.725 464 HA LEU 65 HA LEU 65 7.090 -12.339 2.734 465 HB2 LEU 65 1HB LEU 65 6.309 -9.755 1.477 466 HB3 LEU 65 2HB LEU 65 7.310 -9.720 2.927 467 HG LEU 65 HG LEU 65 8.052 -11.222 0.421 468 HD11 LEU 65 1HD1 LEU 65 8.122 -8.392 0.972 469 HD12 LEU 65 2HD1 LEU 65 8.513 -9.261 -0.512 470 HD13 LEU 65 3HD1 LEU 65 9.746 -9.035 0.728 471 HD21 LEU 65 1HD2 LEU 65 9.136 -12.058 2.408 472 HD22 LEU 65 2HD2 LEU 65 9.601 -10.424 2.883 473 HD23 LEU 65 3HD2 LEU 65 10.302 -11.157 1.439 474 H ASP 66 H ASP 66 7.366 -10.830 4.761 475 HA ASP 66 HA ASP 66 4.835 -10.999 6.244 476 HB2 ASP 66 1HB ASP 66 7.717 -11.097 7.124 477 HB3 ASP 66 2HB ASP 66 6.399 -10.855 8.266 478 H HIS 67 H HIS 67 4.728 -9.366 8.120 479 HA HIS 67 HA HIS 67 4.179 -6.882 7.317 480 HB2 HIS 67 1HB HIS 67 4.017 -7.843 9.678 481 HB3 HIS 67 2HB HIS 67 5.671 -7.282 9.908 482 HD1 HIS 67 1HD HIS 67 2.632 -5.558 8.386 483 HD2 HIS 67 2HD HIS 67 5.493 -5.008 11.347 484 HE1 HIS 67 1HE HIS 67 2.163 -3.287 9.359 485 HE2 HIS 67 2HE HIS 67 3.960 -2.941 11.090 486 H ASP 68 H ASP 68 7.416 -7.833 8.461 487 HA ASP 68 HA ASP 68 8.646 -5.354 7.928 488 HB2 ASP 68 1HB ASP 68 9.700 -8.147 8.301 489 HB3 ASP 68 2HB ASP 68 10.779 -6.812 7.909 490 H GLY 69 H GLY 69 8.827 -8.413 6.091 491 HA2 GLY 69 1HA GLY 69 10.309 -7.690 3.945 492 HA3 GLY 69 2HA GLY 69 8.909 -8.743 3.804 493 H VAL 70 H VAL 70 6.761 -7.299 4.003 494 HA VAL 70 HA VAL 70 6.533 -5.910 1.607 495 HB VAL 70 HB VAL 70 4.787 -5.520 4.041 496 HG11 VAL 70 1HG1 VAL 70 4.410 -3.868 2.296 497 HG12 VAL 70 2HG1 VAL 70 4.227 -5.152 1.099 498 HG13 VAL 70 3HG1 VAL 70 3.047 -4.982 2.399 499 HG21 VAL 70 1HG2 VAL 70 3.911 -7.551 3.754 500 HG22 VAL 70 2HG2 VAL 70 3.798 -7.339 2.007 501 HG23 VAL 70 3HG2 VAL 70 5.304 -7.904 2.732 502 H VAL 71 H VAL 71 6.424 -4.471 4.873 503 HA VAL 71 HA VAL 71 6.454 -1.821 4.230 504 HB VAL 71 HB VAL 71 8.033 -3.065 6.486 505 HG11 VAL 71 1HG1 VAL 71 8.428 -1.013 7.288 506 HG12 VAL 71 2HG1 VAL 71 8.057 -0.453 5.656 507 HG13 VAL 71 3HG1 VAL 71 6.803 -0.449 6.897 508 HG21 VAL 71 1HG2 VAL 71 5.340 -3.300 6.038 509 HG22 VAL 71 2HG2 VAL 71 6.129 -3.418 7.611 510 HG23 VAL 71 3HG2 VAL 71 5.429 -1.886 7.088 511 H GLU 72 H GLU 72 9.202 -4.030 4.275 512 HA GLU 72 HA GLU 72 11.249 -2.143 3.955 513 HB2 GLU 72 1HB GLU 72 11.417 -4.658 4.470 514 HB3 GLU 72 2HB GLU 72 11.318 -4.891 2.730 515 HG2 GLU 72 1HG GLU 72 13.385 -3.993 2.348 516 HG3 GLU 72 2HG GLU 72 13.338 -2.989 3.796 517 H MET 73 H MET 73 9.617 -4.120 1.474 518 HA MET 73 HA MET 73 10.834 -3.161 -0.782 519 HB2 MET 73 1HB MET 73 7.900 -3.813 -0.455 520 HB3 MET 73 2HB MET 73 8.751 -3.703 -1.990 521 HG2 MET 73 1HG MET 73 9.592 -5.615 0.159 522 HG3 MET 73 2HG MET 73 8.352 -6.019 -1.026 523 HE1 MET 73 1HE MET 73 8.790 -5.786 -3.655 524 HE2 MET 73 2HE MET 73 10.157 -6.757 -4.205 525 HE3 MET 73 3HE MET 73 9.011 -7.426 -3.042 526 H ILE 74 H ILE 74 7.904 -1.801 0.728 527 HA ILE 74 HA ILE 74 7.430 0.310 -0.954 528 HB ILE 74 HB ILE 74 7.179 0.341 2.056 529 HG12 ILE 74 1HG1 ILE 74 4.981 -0.180 0.066 530 HG13 ILE 74 2HG1 ILE 74 5.992 -1.487 0.672 531 HG21 ILE 74 1HG2 ILE 74 6.986 2.491 0.399 532 HG22 ILE 74 2HG2 ILE 74 5.317 1.926 0.444 533 HG23 ILE 74 3HG2 ILE 74 6.151 2.331 1.944 534 HD11 ILE 74 1HD1 ILE 74 5.140 -1.331 2.803 535 HD12 ILE 74 2HD1 ILE 74 4.618 0.340 2.586 536 HD13 ILE 74 3HD1 ILE 74 3.728 -0.970 1.810 537 H ARG 75 H ARG 75 9.705 0.200 1.763 538 HA ARG 75 HA ARG 75 10.543 2.895 1.556 539 HB2 ARG 75 1HB ARG 75 11.913 0.479 2.747 540 HB3 ARG 75 2HB ARG 75 12.499 2.128 2.917 541 HG2 ARG 75 1HG ARG 75 10.700 2.756 4.262 542 HG3 ARG 75 2HG ARG 75 9.733 1.363 3.774 543 HD2 ARG 75 1HD ARG 75 11.125 -0.127 5.017 544 HD3 ARG 75 2HD ARG 75 12.302 1.147 5.331 545 HE ARG 75 HE ARG 75 9.714 1.789 6.353 546 HH11 ARG 75 2HH1 ARG 75 12.617 -0.025 6.988 547 HH12 ARG 75 1HH1 ARG 75 12.405 -0.013 8.707 548 HH21 ARG 75 2HH2 ARG 75 9.424 1.812 8.616 549 HH22 ARG 75 1HH2 ARG 75 10.589 1.032 9.632 550 H LYS 76 H LYS 76 11.542 -0.062 -0.018 551 HA LYS 76 HA LYS 76 14.014 0.784 -1.040 552 HB2 LYS 76 1HB LYS 76 12.040 -1.158 -2.258 553 HB3 LYS 76 2HB LYS 76 13.738 -1.015 -2.694 554 HG2 LYS 76 1HG LYS 76 13.009 -1.566 0.142 555 HG3 LYS 76 2HG LYS 76 12.937 -2.871 -1.045 556 HD2 LYS 76 1HD LYS 76 15.256 -2.579 -1.592 557 HD3 LYS 76 2HD LYS 76 15.357 -1.130 -0.590 558 HE2 LYS 76 1HE LYS 76 14.560 -3.773 0.580 559 HE3 LYS 76 2HE LYS 76 16.258 -3.354 0.353 560 HZ1 LYS 76 1HZ LYS 76 14.449 -1.505 1.763 561 HZ2 LYS 76 2HZ LYS 76 16.129 -1.649 1.883 562 HZ3 LYS 76 3HZ LYS 76 15.129 -2.819 2.584 563 H GLY 77 H GLY 77 10.722 1.182 -2.243 564 HA2 GLY 77 1HA GLY 77 11.145 2.032 -4.819 565 HA3 GLY 77 2HA GLY 77 9.875 2.666 -3.783 566 H GLY 78 H GLY 78 11.762 3.805 -1.854 567 HA2 GLY 78 1HA GLY 78 13.251 5.600 -1.637 568 HA3 GLY 78 2HA GLY 78 13.258 5.777 -3.386 569 H ASP 79 H ASP 79 12.961 8.013 -3.263 570 HA ASP 79 HA ASP 79 11.325 9.574 -1.850 571 HB2 ASP 79 1HB ASP 79 11.635 9.658 -4.858 572 HB3 ASP 79 2HB ASP 79 10.955 10.966 -3.892 573 H GLN 80 H GLN 80 10.203 7.759 -4.704 574 HA GLN 80 HA GLN 80 7.466 7.966 -3.631 575 HB2 GLN 80 1HB GLN 80 6.591 8.085 -5.836 576 HB3 GLN 80 2HB GLN 80 7.909 9.248 -5.761 577 HG2 GLN 80 1HG GLN 80 9.374 7.721 -6.922 578 HG3 GLN 80 2HG GLN 80 8.124 6.478 -6.917 579 HE21 GLN 80 1HE2 GLN 80 6.539 6.527 -8.428 580 HE22 GLN 80 2HE2 GLN 80 6.466 7.678 -9.714 581 H THR 81 H THR 81 6.084 6.160 -3.937 582 HA THR 81 HA THR 81 7.330 3.670 -4.828 583 HB THR 81 HB THR 81 7.777 3.680 -2.442 584 HG1 THR 81 1HG THR 81 7.294 1.646 -3.096 585 HG21 THR 81 1HG2 THR 81 5.429 5.094 -2.210 586 HG22 THR 81 2HG2 THR 81 6.353 4.412 -0.871 587 HG23 THR 81 3HG2 THR 81 4.999 3.514 -1.557 588 H THR 82 H THR 82 5.852 2.035 -5.407 589 HA THR 82 HA THR 82 3.127 3.035 -5.880 590 HB THR 82 HB THR 82 4.823 1.032 -7.350 591 HG1 THR 82 1HG THR 82 4.944 2.678 -8.661 592 HG21 THR 82 1HG2 THR 82 1.895 1.082 -7.077 593 HG22 THR 82 2HG2 THR 82 2.964 -0.222 -7.594 594 HG23 THR 82 3HG2 THR 82 2.486 1.032 -8.737 595 H LEU 83 H LEU 83 1.413 2.047 -4.998 596 HA LEU 83 HA LEU 83 1.857 -0.528 -3.635 597 HB2 LEU 83 1HB LEU 83 -0.264 1.332 -2.701 598 HB3 LEU 83 2HB LEU 83 0.676 0.147 -1.796 599 HG LEU 83 HG LEU 83 1.413 2.952 -2.557 600 HD11 LEU 83 1HD1 LEU 83 0.867 1.428 -0.098 601 HD12 LEU 83 2HD1 LEU 83 0.611 3.135 -0.462 602 HD13 LEU 83 3HD1 LEU 83 2.218 2.559 -0.019 603 HD21 LEU 83 1HD2 LEU 83 3.535 2.390 -2.878 604 HD22 LEU 83 2HD2 LEU 83 3.167 0.691 -2.581 605 HD23 LEU 83 3HD2 LEU 83 3.587 1.751 -1.235 606 H LEU 84 H LEU 84 0.625 -2.149 -4.315 607 HA LEU 84 HA LEU 84 -1.710 -1.527 -5.983 608 HB2 LEU 84 1HB LEU 84 -0.014 -2.880 -7.058 609 HB3 LEU 84 2HB LEU 84 -0.068 -4.043 -5.735 610 HG LEU 84 HG LEU 84 -2.396 -3.491 -7.567 611 HD11 LEU 84 1HD1 LEU 84 -1.514 -5.985 -8.201 612 HD12 LEU 84 2HD1 LEU 84 0.005 -5.123 -7.952 613 HD13 LEU 84 3HD1 LEU 84 -1.166 -4.525 -9.127 614 HD21 LEU 84 1HD2 LEU 84 -1.836 -5.404 -5.346 615 HD22 LEU 84 2HD2 LEU 84 -2.899 -5.892 -6.666 616 HD23 LEU 84 3HD2 LEU 84 -3.295 -4.476 -5.692 617 H VAL 85 H VAL 85 -3.512 -1.455 -4.798 618 HA VAL 85 HA VAL 85 -3.920 -3.519 -2.737 619 HB VAL 85 HB VAL 85 -5.591 -2.031 -1.743 620 HG11 VAL 85 1HG1 VAL 85 -2.767 -1.242 -2.092 621 HG12 VAL 85 2HG1 VAL 85 -3.841 -0.023 -1.403 622 HG13 VAL 85 3HG1 VAL 85 -3.676 -1.597 -0.623 623 HG21 VAL 85 1HG2 VAL 85 -5.810 0.287 -2.549 624 HG22 VAL 85 2HG2 VAL 85 -4.788 -0.112 -3.930 625 HG23 VAL 85 3HG2 VAL 85 -6.358 -0.891 -3.741 626 H LEU 86 H LEU 86 -6.130 -4.328 -2.478 627 HA LEU 86 HA LEU 86 -7.503 -4.518 -5.076 628 HB2 LEU 86 1HB LEU 86 -6.430 -6.562 -3.787 629 HB3 LEU 86 2HB LEU 86 -7.960 -6.508 -2.914 630 HG LEU 86 HG LEU 86 -7.980 -6.595 -5.899 631 HD11 LEU 86 1HD1 LEU 86 -8.099 -9.113 -5.656 632 HD12 LEU 86 2HD1 LEU 86 -7.396 -8.893 -4.053 633 HD13 LEU 86 3HD1 LEU 86 -6.503 -8.381 -5.485 634 HD21 LEU 86 1HD2 LEU 86 -10.130 -6.380 -5.163 635 HD22 LEU 86 2HD2 LEU 86 -9.814 -7.216 -3.643 636 HD23 LEU 86 3HD2 LEU 86 -9.984 -8.137 -5.138 637 H ASP 87 H ASP 87 -9.718 -4.292 -5.183 638 HA ASP 87 HA ASP 87 -10.997 -3.234 -2.748 639 HB2 ASP 87 1HB ASP 87 -11.177 -2.442 -5.624 640 HB3 ASP 87 2HB ASP 87 -12.593 -2.221 -4.599 641 H LYS 88 H LYS 88 -11.589 -5.099 -5.710 642 HA LYS 88 HA LYS 88 -14.126 -5.892 -5.574 643 HB2 LYS 88 1HB LYS 88 -11.806 -7.805 -5.893 644 HB3 LYS 88 2HB LYS 88 -13.462 -8.117 -6.397 645 HG2 LYS 88 1HG LYS 88 -11.820 -5.833 -7.459 646 HG3 LYS 88 2HG LYS 88 -11.880 -7.427 -8.217 647 HD2 LYS 88 1HD LYS 88 -14.401 -5.924 -7.609 648 HD3 LYS 88 2HD LYS 88 -13.471 -5.573 -9.069 649 HE2 LYS 88 1HE LYS 88 -13.568 -8.090 -9.512 650 HE3 LYS 88 2HE LYS 88 -14.822 -8.135 -8.273 651 HZ1 LYS 88 1HZ LYS 88 -15.104 -7.485 -10.963 652 HZ2 LYS 88 2HZ LYS 88 -15.386 -6.064 -10.091 653 HZ3 LYS 88 3HZ LYS 88 -16.293 -7.452 -9.759 654 H GLU 89 H GLU 89 -11.666 -7.812 -3.841 655 HA GLU 89 HA GLU 89 -13.673 -8.300 -1.740 656 HB2 GLU 89 1HB GLU 89 -12.442 -10.541 -1.457 657 HB3 GLU 89 2HB GLU 89 -13.541 -10.371 -2.819 658 HG2 GLU 89 1HG GLU 89 -11.865 -10.388 -4.360 659 HG3 GLU 89 2HG GLU 89 -10.680 -9.710 -3.245 660 H ALA 90 H ALA 90 -12.612 -6.402 -0.764 661 HA ALA 90 HA ALA 90 -9.996 -7.024 0.426 662 HB1 ALA 90 1HB ALA 90 -10.492 -4.849 -0.912 663 HB2 ALA 90 2HB ALA 90 -11.263 -4.323 0.585 664 HB3 ALA 90 3HB ALA 90 -9.555 -4.764 0.580 665 H GLU 91 H GLU 91 -13.132 -5.564 1.293 666 HA GLU 91 HA GLU 91 -12.637 -5.723 4.098 667 HB2 GLU 91 1HB GLU 91 -14.874 -4.931 4.380 668 HB3 GLU 91 2HB GLU 91 -14.188 -4.086 3.000 669 HG2 GLU 91 1HG GLU 91 -15.416 -5.431 1.468 670 HG3 GLU 91 2HG GLU 91 -15.946 -6.511 2.755 671 H SER 92 H SER 92 -13.273 -7.221 5.577 672 HA SER 92 HA SER 92 -14.182 -9.787 4.498 673 HB2 SER 92 1HB SER 92 -12.652 -8.960 6.932 674 HB3 SER 92 2HB SER 92 -13.565 -10.468 6.977 675 HG SER 92 HG SER 92 -11.886 -9.949 4.792 676 H ILE 93 H ILE 93 -16.215 -10.411 4.739 677 HA ILE 93 HA ILE 93 -18.293 -9.001 5.735 678 HB ILE 93 HB ILE 93 -17.957 -11.998 5.771 679 HG12 ILE 93 1HG1 ILE 93 -17.934 -10.651 3.583 680 HG13 ILE 93 2HG1 ILE 93 -19.063 -11.997 3.692 681 HG21 ILE 93 1HG2 ILE 93 -20.505 -11.963 5.835 682 HG22 ILE 93 2HG2 ILE 93 -19.657 -11.621 7.342 683 HG23 ILE 93 3HG2 ILE 93 -20.351 -10.300 6.402 684 HD11 ILE 93 1HD1 ILE 93 -20.900 -10.613 3.826 685 HD12 ILE 93 2HD1 ILE 93 -19.953 -9.238 4.394 686 HD13 ILE 93 3HD1 ILE 93 -19.849 -9.744 2.708 687 H TYR 94 H TYR 94 -19.353 -8.709 7.662 688 HA TYR 94 HA TYR 94 -17.846 -8.700 10.020 689 HB2 TYR 94 1HB TYR 94 -20.854 -8.740 10.007 690 HB3 TYR 94 2HB TYR 94 -19.772 -7.883 11.099 691 HD1 TYR 94 2HD TYR 94 -18.244 -6.069 9.940 692 HD2 TYR 94 1HD TYR 94 -21.883 -7.554 8.310 693 HE1 TYR 94 2HE TYR 94 -18.443 -4.046 8.556 694 HE2 TYR 94 1HE TYR 94 -22.091 -5.535 6.920 695 HH TYR 94 HH TYR 94 -19.535 -3.319 6.505 696 H SER 95 H SER 95 -17.508 -10.153 11.586 697 HA SER 95 HA SER 95 -19.105 -12.629 11.553 698 HB2 SER 95 1HB SER 95 -16.835 -12.992 10.602 699 HB3 SER 95 2HB SER 95 -16.137 -12.438 12.125 700 HG SER 95 HG SER 95 -16.728 -14.864 11.578 701 H LEU 96 H LEU 96 -20.392 -11.626 13.209 702 HA LEU 96 HA LEU 96 -19.315 -10.736 15.668 703 HB2 LEU 96 1HB LEU 96 -21.553 -10.133 14.848 704 HB3 LEU 96 2HB LEU 96 -22.072 -11.802 15.073 705 HG LEU 96 HG LEU 96 -21.471 -11.441 17.547 706 HD11 LEU 96 1HD1 LEU 96 -20.458 -9.491 17.949 707 HD12 LEU 96 2HD1 LEU 96 -22.073 -8.792 17.835 708 HD13 LEU 96 3HD1 LEU 96 -21.007 -8.782 16.430 709 HD21 LEU 96 1HD2 LEU 96 -23.711 -11.694 17.270 710 HD22 LEU 96 2HD2 LEU 96 -23.813 -10.447 16.027 711 HD23 LEU 96 3HD2 LEU 96 -23.696 -9.991 17.727 712 H SER 97 H SER 97 -18.600 -11.827 17.378 713 HA SER 97 HA SER 97 -19.404 -14.633 17.715 714 HB2 SER 97 1HB SER 97 -16.588 -13.539 17.774 715 HB3 SER 97 2HB SER 97 -17.024 -15.112 18.440 716 HG SER 97 HG SER 97 -17.773 -15.690 16.350 717 H GLY 98 H GLY 98 -19.706 -15.299 19.799 718 HA2 GLY 98 1HA GLY 98 -18.672 -14.024 22.089 719 HA3 GLY 98 2HA GLY 98 -20.276 -13.385 21.763 720 HA PRO 99 HA PRO 99 -20.621 -18.126 22.823 721 HB2 PRO 99 1HB PRO 99 -18.572 -19.068 24.335 722 HB3 PRO 99 2HB PRO 99 -18.583 -19.156 22.569 723 HG2 PRO 99 1HG PRO 99 -17.215 -17.184 24.358 724 HG3 PRO 99 2HG PRO 99 -16.599 -17.990 22.905 725 HD2 PRO 99 1HD PRO 99 -17.521 -15.445 22.878 726 HD3 PRO 99 2HD PRO 99 -17.681 -16.533 21.484 727 H SER 100 H SER 100 -21.925 -18.542 24.505 728 HA SER 100 HA SER 100 -21.722 -16.830 26.862 729 HB2 SER 100 1HB SER 100 -23.909 -16.849 25.919 730 HB3 SER 100 2HB SER 100 -23.916 -18.608 25.791 731 HG SER 100 HG SER 100 -24.562 -18.729 27.785 732 H SER 101 H SER 101 -22.099 -20.281 26.082 733 HA SER 101 HA SER 101 -21.654 -21.092 28.802 734 HB2 SER 101 1HB SER 101 -21.666 -22.766 26.279 735 HB3 SER 101 2HB SER 101 -21.777 -23.371 27.932 736 HG SER 101 HG SER 101 -23.641 -21.471 27.063 737 H GLY 102 H GLY 102 -19.619 -20.163 29.284 738 HA2 GLY 102 1HA GLY 102 -17.376 -21.756 28.247 739 HA3 GLY 102 2HA GLY 102 -17.260 -20.002 28.227 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -2.566 -5.875 -23.179 2 HA2 GLY 1 1HA GLY 1 -5.025 -5.703 -24.524 3 HA3 GLY 1 2HA GLY 1 -4.743 -7.388 -24.112 4 H SER 2 H SER 2 -6.380 -4.812 -23.125 5 HA SER 2 HA SER 2 -5.799 -4.929 -20.291 6 HB2 SER 2 1HB SER 2 -6.623 -2.879 -21.732 7 HB3 SER 2 2HB SER 2 -8.218 -3.551 -21.393 8 HG SER 2 HG SER 2 -7.971 -2.388 -19.637 9 H SER 3 H SER 3 -6.649 -6.370 -18.958 10 HA SER 3 HA SER 3 -9.386 -7.117 -18.996 11 HB2 SER 3 1HB SER 3 -9.268 -9.393 -19.680 12 HB3 SER 3 2HB SER 3 -8.417 -8.475 -20.923 13 HG SER 3 HG SER 3 -6.570 -9.349 -20.328 14 H GLY 4 H GLY 4 -9.971 -7.728 -17.000 15 HA2 GLY 4 1HA GLY 4 -9.231 -9.348 -15.151 16 HA3 GLY 4 2HA GLY 4 -7.805 -8.323 -15.094 17 H SER 5 H SER 5 -8.160 -6.019 -14.598 18 HA SER 5 HA SER 5 -8.970 -4.355 -13.273 19 HB2 SER 5 1HB SER 5 -11.614 -5.795 -13.603 20 HB3 SER 5 2HB SER 5 -11.405 -4.155 -12.989 21 HG SER 5 HG SER 5 -11.771 -4.795 -15.452 22 H SER 6 H SER 6 -7.751 -6.550 -12.046 23 HA SER 6 HA SER 6 -9.303 -6.843 -9.559 24 HB2 SER 6 1HB SER 6 -7.952 -8.864 -9.126 25 HB3 SER 6 2HB SER 6 -8.829 -8.985 -10.651 26 HG SER 6 HG SER 6 -6.120 -8.173 -10.411 27 H GLY 7 H GLY 7 -8.560 -4.788 -8.799 28 HA2 GLY 7 1HA GLY 7 -7.120 -4.099 -6.966 29 HA3 GLY 7 2HA GLY 7 -5.794 -4.917 -7.779 30 H ARG 8 H ARG 8 -6.745 -1.986 -6.966 31 HA ARG 8 HA ARG 8 -6.239 -0.652 -9.507 32 HB2 ARG 8 1HB ARG 8 -6.759 1.414 -8.284 33 HB3 ARG 8 2HB ARG 8 -8.035 0.217 -8.105 34 HG2 ARG 8 1HG ARG 8 -6.834 -0.406 -5.910 35 HG3 ARG 8 2HG ARG 8 -6.039 1.159 -6.089 36 HD2 ARG 8 1HD ARG 8 -7.972 2.334 -5.747 37 HD3 ARG 8 2HD ARG 8 -8.995 1.045 -6.381 38 HE ARG 8 HE ARG 8 -7.831 0.146 -4.005 39 HH11 ARG 8 2HH1 ARG 8 -10.113 2.541 -5.090 40 HH12 ARG 8 1HH1 ARG 8 -11.014 2.541 -3.610 41 HH21 ARG 8 2HH2 ARG 8 -9.009 0.138 -2.052 42 HH22 ARG 8 1HH2 ARG 8 -10.385 1.175 -1.883 43 H VAL 9 H VAL 9 -4.571 0.907 -9.778 44 HA VAL 9 HA VAL 9 -2.147 0.217 -8.306 45 HB VAL 9 HB VAL 9 -2.561 1.836 -10.821 46 HG11 VAL 9 1HG1 VAL 9 -0.523 2.685 -10.596 47 HG12 VAL 9 2HG1 VAL 9 -0.407 1.949 -8.997 48 HG13 VAL 9 3HG1 VAL 9 0.156 1.068 -10.418 49 HG21 VAL 9 1HG2 VAL 9 -2.679 -0.229 -11.689 50 HG22 VAL 9 2HG2 VAL 9 -0.934 -0.267 -11.437 51 HG23 VAL 9 3HG2 VAL 9 -2.014 -0.982 -10.240 52 H VAL 10 H VAL 10 -1.068 1.575 -6.984 53 HA VAL 10 HA VAL 10 -2.142 4.304 -6.672 54 HB VAL 10 HB VAL 10 -0.828 2.862 -4.400 55 HG11 VAL 10 1HG1 VAL 10 -3.121 4.759 -4.196 56 HG12 VAL 10 2HG1 VAL 10 -1.794 4.471 -3.069 57 HG13 VAL 10 3HG1 VAL 10 -1.511 5.384 -4.552 58 HG21 VAL 10 1HG2 VAL 10 -3.385 2.179 -5.621 59 HG22 VAL 10 2HG2 VAL 10 -2.423 1.294 -4.437 60 HG23 VAL 10 3HG2 VAL 10 -3.515 2.574 -3.907 61 H VAL 11 H VAL 11 -0.670 5.958 -6.159 62 HA VAL 11 HA VAL 11 2.181 5.303 -6.262 63 HB VAL 11 HB VAL 11 0.932 7.388 -8.057 64 HG11 VAL 11 1HG1 VAL 11 3.369 7.140 -9.034 65 HG12 VAL 11 2HG1 VAL 11 3.029 8.226 -7.685 66 HG13 VAL 11 3HG1 VAL 11 3.731 6.635 -7.384 67 HG21 VAL 11 1HG2 VAL 11 1.890 4.595 -8.580 68 HG22 VAL 11 2HG2 VAL 11 0.370 5.353 -9.055 69 HG23 VAL 11 3HG2 VAL 11 1.873 5.812 -9.856 70 H ILE 12 H ILE 12 3.312 6.437 -4.821 71 HA ILE 12 HA ILE 12 2.301 9.043 -3.933 72 HB ILE 12 HB ILE 12 3.330 7.000 -1.972 73 HG12 ILE 12 1HG1 ILE 12 0.434 7.736 -2.155 74 HG13 ILE 12 2HG1 ILE 12 1.073 6.503 -3.236 75 HG21 ILE 12 1HG2 ILE 12 1.989 8.606 -0.436 76 HG22 ILE 12 2HG2 ILE 12 3.585 9.087 -1.009 77 HG23 ILE 12 3HG2 ILE 12 2.139 9.735 -1.781 78 HD11 ILE 12 1HD1 ILE 12 1.948 5.967 -0.575 79 HD12 ILE 12 2HD1 ILE 12 0.200 6.202 -0.589 80 HD13 ILE 12 3HD1 ILE 12 0.935 4.989 -1.637 81 H LYS 13 H LYS 13 3.906 10.384 -2.904 82 HA LYS 13 HA LYS 13 6.686 9.547 -3.328 83 HB2 LYS 13 1HB LYS 13 5.874 12.338 -4.044 84 HB3 LYS 13 2HB LYS 13 7.265 11.410 -4.589 85 HG2 LYS 13 1HG LYS 13 5.959 10.145 -6.091 86 HG3 LYS 13 2HG LYS 13 4.450 10.715 -5.372 87 HD2 LYS 13 1HD LYS 13 6.320 12.739 -6.488 88 HD3 LYS 13 2HD LYS 13 5.406 11.741 -7.622 89 HE2 LYS 13 1HE LYS 13 3.984 13.529 -7.329 90 HE3 LYS 13 2HE LYS 13 3.376 12.395 -6.124 91 HZ1 LYS 13 1HZ LYS 13 5.454 14.225 -5.236 92 HZ2 LYS 13 2HZ LYS 13 4.070 13.685 -4.429 93 HZ3 LYS 13 3HZ LYS 13 3.950 14.922 -5.578 94 H LYS 14 H LYS 14 7.635 9.666 -1.409 95 HA LYS 14 HA LYS 14 6.840 10.682 0.923 96 HB2 LYS 14 1HB LYS 14 9.141 9.610 0.162 97 HB3 LYS 14 2HB LYS 14 9.679 11.284 0.220 98 HG2 LYS 14 1HG LYS 14 9.328 11.449 2.511 99 HG3 LYS 14 2HG LYS 14 8.249 10.052 2.542 100 HD2 LYS 14 1HD LYS 14 11.092 9.692 1.702 101 HD3 LYS 14 2HD LYS 14 10.710 9.852 3.418 102 HE2 LYS 14 1HE LYS 14 8.897 8.037 2.852 103 HE3 LYS 14 2HE LYS 14 9.967 7.698 1.492 104 HZ1 LYS 14 1HZ LYS 14 11.723 7.162 2.938 105 HZ2 LYS 14 2HZ LYS 14 10.369 6.376 3.575 106 HZ3 LYS 14 3HZ LYS 14 10.933 7.802 4.290 107 H GLY 15 H GLY 15 6.399 12.593 1.840 108 HA2 GLY 15 1HA GLY 15 7.652 15.032 0.927 109 HA3 GLY 15 2HA GLY 15 5.943 14.917 0.536 110 H SER 16 H SER 16 4.763 13.879 2.671 111 HA SER 16 HA SER 16 5.238 15.916 4.716 112 HB2 SER 16 1HB SER 16 2.884 14.128 4.105 113 HB3 SER 16 2HB SER 16 2.979 15.094 5.577 114 HG SER 16 HG SER 16 3.498 16.835 3.843 115 H ASN 17 H ASN 17 6.990 15.040 5.820 116 HA ASN 17 HA ASN 17 8.170 13.524 7.099 117 HB2 ASN 17 1HB ASN 17 6.735 14.808 8.672 118 HB3 ASN 17 2HB ASN 17 5.517 13.541 8.556 119 HD21 ASN 17 1HD2 ASN 17 5.573 12.904 10.654 120 HD22 ASN 17 2HD2 ASN 17 6.941 12.150 11.392 121 H GLY 18 H GLY 18 7.074 12.202 4.873 122 HA2 GLY 18 1HA GLY 18 7.519 9.685 4.918 123 HA3 GLY 18 2HA GLY 18 6.144 9.646 6.012 124 H TYR 19 H TYR 19 4.769 8.449 4.771 125 HA TYR 19 HA TYR 19 4.088 9.520 2.116 126 HB2 TYR 19 1HB TYR 19 3.768 6.751 3.280 127 HB3 TYR 19 2HB TYR 19 3.054 7.245 1.748 128 HD1 TYR 19 1HD TYR 19 6.238 6.647 3.517 129 HD2 TYR 19 2HD TYR 19 4.374 7.409 -0.231 130 HE1 TYR 19 1HE TYR 19 8.336 6.079 2.365 131 HE2 TYR 19 2HE TYR 19 6.467 6.842 -1.393 132 HH TYR 19 HH TYR 19 8.529 6.007 -1.170 133 H GLY 20 H GLY 20 2.577 7.987 4.961 134 HA2 GLY 20 1HA GLY 20 0.734 9.251 6.015 135 HA3 GLY 20 2HA GLY 20 0.162 9.593 4.389 136 H PHE 21 H PHE 21 1.393 6.482 5.467 137 HA PHE 21 HA PHE 21 -1.230 5.366 5.865 138 HB2 PHE 21 1HB PHE 21 -1.339 3.931 4.000 139 HB3 PHE 21 2HB PHE 21 -0.860 5.486 3.329 140 HD1 PHE 21 1HD PHE 21 1.509 5.867 2.682 141 HD2 PHE 21 2HD PHE 21 0.056 2.035 3.830 142 HE1 PHE 21 1HE PHE 21 3.475 4.815 1.644 143 HE2 PHE 21 2HE PHE 21 2.020 0.976 2.794 144 HZ PHE 21 HZ PHE 21 3.734 2.366 1.699 145 H TYR 22 H TYR 22 -1.179 3.230 6.696 146 HA TYR 22 HA TYR 22 1.503 2.320 7.511 147 HB2 TYR 22 1HB TYR 22 -1.064 2.260 9.109 148 HB3 TYR 22 2HB TYR 22 0.437 1.486 9.606 149 HD1 TYR 22 1HD TYR 22 -1.092 4.777 8.831 150 HD2 TYR 22 2HD TYR 22 2.114 2.710 10.715 151 HE1 TYR 22 1HE TYR 22 -0.368 6.876 9.889 152 HE2 TYR 22 2HE TYR 22 2.846 4.803 11.780 153 HH TYR 22 HH TYR 22 2.644 7.220 11.417 154 H LEU 23 H LEU 23 1.387 -0.047 8.305 155 HA LEU 23 HA LEU 23 -0.469 -1.626 6.674 156 HB2 LEU 23 1HB LEU 23 2.526 -1.959 6.740 157 HB3 LEU 23 2HB LEU 23 1.406 -3.116 6.023 158 HG LEU 23 HG LEU 23 1.737 -0.268 5.088 159 HD11 LEU 23 1HD1 LEU 23 3.181 -2.762 4.411 160 HD12 LEU 23 2HD1 LEU 23 3.735 -1.088 4.395 161 HD13 LEU 23 3HD1 LEU 23 2.731 -1.697 3.079 162 HD21 LEU 23 1HD2 LEU 23 0.225 -2.645 4.029 163 HD22 LEU 23 2HD2 LEU 23 0.585 -1.217 3.059 164 HD23 LEU 23 3HD2 LEU 23 -0.416 -1.072 4.504 165 H ARG 24 H ARG 24 -1.234 -3.402 7.668 166 HA ARG 24 HA ARG 24 0.123 -4.327 10.108 167 HB2 ARG 24 1HB ARG 24 -2.041 -2.838 10.363 168 HB3 ARG 24 2HB ARG 24 -2.862 -4.345 9.981 169 HG2 ARG 24 1HG ARG 24 -1.562 -5.398 11.864 170 HG3 ARG 24 2HG ARG 24 -1.058 -3.767 12.311 171 HD2 ARG 24 1HD ARG 24 -3.295 -3.102 12.744 172 HD3 ARG 24 2HD ARG 24 -3.942 -4.565 12.001 173 HE ARG 24 HE ARG 24 -2.298 -5.297 14.149 174 HH11 ARG 24 2HH1 ARG 24 -5.340 -3.720 13.536 175 HH12 ARG 24 1HH1 ARG 24 -6.040 -4.195 15.047 176 HH21 ARG 24 2HH2 ARG 24 -3.209 -5.929 16.143 177 HH22 ARG 24 1HH2 ARG 24 -4.827 -5.451 16.530 178 H ALA 25 H ALA 25 0.269 -6.492 10.338 179 HA ALA 25 HA ALA 25 -0.149 -8.188 8.152 180 HB1 ALA 25 1HB ALA 25 1.472 -8.587 9.988 181 HB2 ALA 25 2HB ALA 25 0.122 -9.019 11.037 182 HB3 ALA 25 3HB ALA 25 0.476 -9.993 9.611 183 H GLY 26 H GLY 26 -2.126 -8.529 7.324 184 HA2 GLY 26 1HA GLY 26 -4.496 -8.622 8.923 185 HA3 GLY 26 2HA GLY 26 -4.382 -8.992 7.209 186 HA PRO 27 HA PRO 27 -5.299 -12.920 9.503 187 HB2 PRO 27 1HB PRO 27 -7.292 -13.708 7.837 188 HB3 PRO 27 2HB PRO 27 -7.564 -12.650 9.226 189 HG2 PRO 27 1HG PRO 27 -7.258 -11.938 6.335 190 HG3 PRO 27 2HG PRO 27 -8.413 -11.311 7.525 191 HD2 PRO 27 1HD PRO 27 -6.178 -9.959 6.810 192 HD3 PRO 27 2HD PRO 27 -6.873 -9.860 8.441 193 H GLU 28 H GLU 28 -5.923 -15.112 8.081 194 HA GLU 28 HA GLU 28 -3.569 -15.983 6.973 195 HB2 GLU 28 1HB GLU 28 -4.882 -17.803 5.935 196 HB3 GLU 28 2HB GLU 28 -5.323 -17.525 7.614 197 HG2 GLU 28 1HG GLU 28 -7.245 -16.151 6.787 198 HG3 GLU 28 2HG GLU 28 -6.850 -16.702 5.160 199 H GLN 29 H GLN 29 -5.891 -13.902 5.572 200 HA GLN 29 HA GLN 29 -5.512 -14.422 2.840 201 HB2 GLN 29 1HB GLN 29 -7.195 -12.846 4.131 202 HB3 GLN 29 2HB GLN 29 -5.972 -11.629 3.790 203 HG2 GLN 29 1HG GLN 29 -7.347 -11.393 1.981 204 HG3 GLN 29 2HG GLN 29 -6.158 -12.534 1.354 205 HE21 GLN 29 1HE2 GLN 29 -9.411 -11.919 1.824 206 HE22 GLN 29 2HE2 GLN 29 -10.028 -13.496 1.482 207 H LYS 30 H LYS 30 -3.914 -13.973 1.462 208 HA LYS 30 HA LYS 30 -1.417 -13.009 2.411 209 HB2 LYS 30 1HB LYS 30 -2.232 -13.269 -0.482 210 HB3 LYS 30 2HB LYS 30 -0.610 -13.361 0.193 211 HG2 LYS 30 1HG LYS 30 -2.762 -15.348 0.859 212 HG3 LYS 30 2HG LYS 30 -1.659 -15.544 -0.505 213 HD2 LYS 30 1HD LYS 30 -0.489 -16.691 1.083 214 HD3 LYS 30 2HD LYS 30 0.152 -15.073 1.375 215 HE2 LYS 30 1HE LYS 30 -0.397 -15.641 3.512 216 HE3 LYS 30 2HE LYS 30 -1.934 -14.944 3.002 217 HZ1 LYS 30 1HZ LYS 30 -1.405 -17.830 2.688 218 HZ2 LYS 30 2HZ LYS 30 -2.891 -17.027 2.769 219 HZ3 LYS 30 3HZ LYS 30 -1.951 -17.207 4.164 220 H GLY 31 H GLY 31 -0.592 -11.009 2.449 221 HA2 GLY 31 1HA GLY 31 -0.363 -8.895 1.129 222 HA3 GLY 31 2HA GLY 31 -2.120 -8.885 1.074 223 H GLN 32 H GLN 32 -0.863 -6.681 2.003 224 HA GLN 32 HA GLN 32 -1.193 -6.844 4.926 225 HB2 GLN 32 1HB GLN 32 0.352 -4.755 3.387 226 HB3 GLN 32 2HB GLN 32 0.302 -4.962 5.132 227 HG2 GLN 32 1HG GLN 32 1.600 -6.743 3.095 228 HG3 GLN 32 2HG GLN 32 2.366 -5.835 4.398 229 HE21 GLN 32 1HE2 GLN 32 1.493 -6.432 6.626 230 HE22 GLN 32 2HE2 GLN 32 1.315 -8.121 6.941 231 H ILE 33 H ILE 33 -2.596 -5.491 5.936 232 HA ILE 33 HA ILE 33 -4.415 -3.992 4.217 233 HB ILE 33 HB ILE 33 -4.724 -4.372 7.184 234 HG12 ILE 33 1HG1 ILE 33 -5.833 -6.228 5.077 235 HG13 ILE 33 2HG1 ILE 33 -4.343 -6.563 5.953 236 HG21 ILE 33 1HG2 ILE 33 -7.180 -4.480 5.875 237 HG22 ILE 33 2HG2 ILE 33 -6.529 -3.132 6.805 238 HG23 ILE 33 3HG2 ILE 33 -6.282 -3.200 5.060 239 HD11 ILE 33 1HD1 ILE 33 -5.450 -6.878 7.962 240 HD12 ILE 33 2HD1 ILE 33 -6.887 -6.010 7.420 241 HD13 ILE 33 3HD1 ILE 33 -6.532 -7.614 6.779 242 H ILE 34 H ILE 34 -4.860 -1.815 4.452 243 HA ILE 34 HA ILE 34 -2.773 -0.275 5.805 244 HB ILE 34 HB ILE 34 -4.850 0.600 3.795 245 HG12 ILE 34 1HG1 ILE 34 -1.859 0.385 3.444 246 HG13 ILE 34 2HG1 ILE 34 -2.968 -0.910 3.008 247 HG21 ILE 34 1HG2 ILE 34 -4.443 2.533 4.994 248 HG22 ILE 34 2HG2 ILE 34 -2.769 2.095 5.330 249 HG23 ILE 34 3HG2 ILE 34 -3.233 2.632 3.715 250 HD11 ILE 34 1HD1 ILE 34 -3.807 0.230 1.216 251 HD12 ILE 34 2HD1 ILE 34 -3.438 1.810 1.906 252 HD13 ILE 34 3HD1 ILE 34 -2.145 0.818 1.231 253 H LYS 35 H LYS 35 -3.305 1.583 7.081 254 HA LYS 35 HA LYS 35 -5.923 2.240 7.884 255 HB2 LYS 35 1HB LYS 35 -5.878 1.355 10.190 256 HB3 LYS 35 2HB LYS 35 -5.916 0.076 8.983 257 HG2 LYS 35 1HG LYS 35 -3.494 -0.232 9.256 258 HG3 LYS 35 2HG LYS 35 -3.493 1.016 10.505 259 HD2 LYS 35 1HD LYS 35 -3.550 -1.128 11.579 260 HD3 LYS 35 2HD LYS 35 -5.127 -0.363 11.788 261 HE2 LYS 35 1HE LYS 35 -4.705 -2.157 9.449 262 HE3 LYS 35 2HE LYS 35 -4.907 -2.883 11.043 263 HZ1 LYS 35 1HZ LYS 35 -7.076 -2.526 10.941 264 HZ2 LYS 35 2HZ LYS 35 -6.897 -1.991 9.347 265 HZ3 LYS 35 3HZ LYS 35 -6.859 -0.879 10.621 266 H ASP 36 H ASP 36 -5.954 3.804 9.667 267 HA ASP 36 HA ASP 36 -5.171 5.638 10.764 268 HB2 ASP 36 1HB ASP 36 -2.402 4.456 10.612 269 HB3 ASP 36 2HB ASP 36 -3.058 5.546 11.831 270 H ILE 37 H ILE 37 -5.503 5.891 8.064 271 HA ILE 37 HA ILE 37 -3.218 6.923 6.726 272 HB ILE 37 HB ILE 37 -6.169 7.156 6.173 273 HG12 ILE 37 1HG1 ILE 37 -3.967 5.763 4.639 274 HG13 ILE 37 2HG1 ILE 37 -4.986 4.966 5.833 275 HG21 ILE 37 1HG2 ILE 37 -3.971 8.729 5.087 276 HG22 ILE 37 2HG2 ILE 37 -4.905 7.893 3.848 277 HG23 ILE 37 3HG2 ILE 37 -5.712 8.984 4.973 278 HD11 ILE 37 1HD1 ILE 37 -6.960 5.568 4.457 279 HD12 ILE 37 2HD1 ILE 37 -5.856 6.191 3.230 280 HD13 ILE 37 3HD1 ILE 37 -5.828 4.480 3.655 281 H GLU 38 H GLU 38 -2.432 8.957 6.573 282 HA GLU 38 HA GLU 38 -3.416 10.906 8.481 283 HB2 GLU 38 1HB GLU 38 -1.023 10.910 6.637 284 HB3 GLU 38 2HB GLU 38 -1.409 12.216 7.749 285 HG2 GLU 38 1HG GLU 38 -1.171 10.708 9.637 286 HG3 GLU 38 2HG GLU 38 -0.837 9.369 8.540 287 HA PRO 39 HA PRO 39 -5.791 13.223 5.582 288 HB2 PRO 39 1HB PRO 39 -5.869 15.584 6.919 289 HB3 PRO 39 2HB PRO 39 -6.809 14.170 7.411 290 HG2 PRO 39 1HG PRO 39 -4.210 15.188 8.494 291 HG3 PRO 39 2HG PRO 39 -5.623 14.570 9.371 292 HD2 PRO 39 1HD PRO 39 -3.416 13.067 8.919 293 HD3 PRO 39 2HD PRO 39 -5.047 12.369 9.001 294 H GLY 40 H GLY 40 -5.565 14.802 3.990 295 HA2 GLY 40 1HA GLY 40 -4.368 15.989 2.424 296 HA3 GLY 40 2HA GLY 40 -3.738 16.849 3.821 297 H SER 41 H SER 41 -3.097 13.478 3.648 298 HA SER 41 HA SER 41 -0.270 14.063 3.195 299 HB2 SER 41 1HB SER 41 0.225 12.059 4.292 300 HB3 SER 41 2HB SER 41 -1.219 12.615 5.139 301 HG SER 41 HG SER 41 -2.359 11.249 3.496 302 HA PRO 42 HA PRO 42 0.163 12.643 -0.920 303 HB2 PRO 42 1HB PRO 42 2.180 10.727 0.157 304 HB3 PRO 42 2HB PRO 42 2.324 11.884 -1.171 305 HG2 PRO 42 1HG PRO 42 3.422 12.365 1.226 306 HG3 PRO 42 2HG PRO 42 2.720 13.665 0.245 307 HD2 PRO 42 1HD PRO 42 1.696 12.384 2.702 308 HD3 PRO 42 2HD PRO 42 1.448 14.031 2.088 309 H ALA 43 H ALA 43 -0.339 10.369 1.676 310 HA ALA 43 HA ALA 43 -0.867 8.103 0.011 311 HB1 ALA 43 1HB ALA 43 -0.201 7.492 2.137 312 HB2 ALA 43 2HB ALA 43 -1.213 8.708 2.918 313 HB3 ALA 43 3HB ALA 43 -1.948 7.266 2.218 314 H GLU 44 H GLU 44 -2.931 10.344 1.856 315 HA GLU 44 HA GLU 44 -5.373 9.200 0.970 316 HB2 GLU 44 1HB GLU 44 -5.075 10.608 3.031 317 HB3 GLU 44 2HB GLU 44 -4.934 12.012 1.982 318 HG2 GLU 44 1HG GLU 44 -7.149 12.058 2.638 319 HG3 GLU 44 2HG GLU 44 -7.216 11.290 1.053 320 H ALA 45 H ALA 45 -3.340 11.819 -0.200 321 HA ALA 45 HA ALA 45 -5.192 12.807 -2.122 322 HB1 ALA 45 1HB ALA 45 -2.718 13.606 -1.125 323 HB2 ALA 45 2HB ALA 45 -2.440 13.294 -2.838 324 HB3 ALA 45 3HB ALA 45 -3.692 14.432 -2.342 325 H ALA 46 H ALA 46 -2.769 10.290 -2.126 326 HA ALA 46 HA ALA 46 -2.514 9.947 -4.910 327 HB1 ALA 46 1HB ALA 46 -1.670 7.688 -4.336 328 HB2 ALA 46 2HB ALA 46 -0.903 8.979 -3.410 329 HB3 ALA 46 3HB ALA 46 -2.143 7.974 -2.661 330 H GLY 47 H GLY 47 -4.891 8.824 -2.598 331 HA2 GLY 47 1HA GLY 47 -7.129 8.450 -3.637 332 HA3 GLY 47 2HA GLY 47 -6.290 7.438 -4.803 333 H LEU 48 H LEU 48 -4.805 6.983 -1.893 334 HA LEU 48 HA LEU 48 -5.511 4.331 -1.597 335 HB2 LEU 48 1HB LEU 48 -4.308 6.379 0.182 336 HB3 LEU 48 2HB LEU 48 -4.868 4.882 0.924 337 HG LEU 48 HG LEU 48 -2.762 5.168 -1.216 338 HD11 LEU 48 1HD1 LEU 48 -1.871 5.762 0.899 339 HD12 LEU 48 2HD1 LEU 48 -1.352 4.109 0.574 340 HD13 LEU 48 3HD1 LEU 48 -2.680 4.412 1.695 341 HD21 LEU 48 1HD2 LEU 48 -2.776 2.565 -0.190 342 HD22 LEU 48 2HD2 LEU 48 -3.229 3.081 -1.815 343 HD23 LEU 48 3HD2 LEU 48 -4.460 2.942 -0.558 344 H LYS 49 H LYS 49 -6.394 3.650 0.793 345 HA LYS 49 HA LYS 49 -8.666 5.093 1.715 346 HB2 LYS 49 1HB LYS 49 -9.076 2.810 -0.191 347 HB3 LYS 49 2HB LYS 49 -10.267 3.152 1.058 348 HG2 LYS 49 1HG LYS 49 -10.076 5.594 0.067 349 HG3 LYS 49 2HG LYS 49 -9.555 4.705 -1.366 350 HD2 LYS 49 1HD LYS 49 -11.671 3.247 -0.858 351 HD3 LYS 49 2HD LYS 49 -12.192 4.679 0.035 352 HE2 LYS 49 1HE LYS 49 -12.127 6.027 -1.905 353 HE3 LYS 49 2HE LYS 49 -11.237 4.807 -2.814 354 HZ1 LYS 49 1HZ LYS 49 -13.613 4.931 -3.400 355 HZ2 LYS 49 2HZ LYS 49 -14.015 4.461 -1.826 356 HZ3 LYS 49 3HZ LYS 49 -13.160 3.404 -2.832 357 H ASN 50 H ASN 50 -9.188 4.452 3.732 358 HA ASN 50 HA ASN 50 -7.566 2.756 5.192 359 HB2 ASN 50 1HB ASN 50 -10.437 3.533 5.747 360 HB3 ASN 50 2HB ASN 50 -9.343 2.815 6.925 361 HD21 ASN 50 1HD2 ASN 50 -7.345 4.018 7.374 362 HD22 ASN 50 2HD2 ASN 50 -7.409 5.744 7.364 363 H ASN 51 H ASN 51 -7.653 0.636 5.835 364 HA ASN 51 HA ASN 51 -8.263 -1.564 5.881 365 HB2 ASN 51 1HB ASN 51 -10.830 -0.849 4.472 366 HB3 ASN 51 2HB ASN 51 -10.514 -2.219 5.532 367 HD21 ASN 51 1HD2 ASN 51 -9.963 -1.659 7.801 368 HD22 ASN 51 2HD2 ASN 51 -10.810 -0.339 8.527 369 H ASP 52 H ASP 52 -6.930 -0.189 3.627 370 HA ASP 52 HA ASP 52 -7.760 -1.717 1.295 371 HB2 ASP 52 1HB ASP 52 -5.862 0.534 1.795 372 HB3 ASP 52 2HB ASP 52 -5.611 -0.477 0.375 373 H LEU 53 H LEU 53 -6.936 -3.626 0.774 374 HA LEU 53 HA LEU 53 -4.539 -4.556 2.180 375 HB2 LEU 53 1HB LEU 53 -6.662 -5.881 2.253 376 HB3 LEU 53 2HB LEU 53 -6.477 -6.160 0.522 377 HG LEU 53 HG LEU 53 -4.242 -6.947 2.326 378 HD11 LEU 53 1HD1 LEU 53 -6.052 -7.865 3.554 379 HD12 LEU 53 2HD1 LEU 53 -5.366 -9.178 2.597 380 HD13 LEU 53 3HD1 LEU 53 -6.865 -8.403 2.084 381 HD21 LEU 53 1HD2 LEU 53 -4.393 -8.905 0.612 382 HD22 LEU 53 2HD2 LEU 53 -3.718 -7.353 0.118 383 HD23 LEU 53 3HD2 LEU 53 -5.377 -7.770 -0.311 384 H VAL 54 H VAL 54 -2.661 -4.477 1.159 385 HA VAL 54 HA VAL 54 -2.619 -4.322 -1.765 386 HB VAL 54 HB VAL 54 -0.214 -3.982 0.003 387 HG11 VAL 54 1HG1 VAL 54 -0.065 -4.181 -2.517 388 HG12 VAL 54 2HG1 VAL 54 -0.890 -2.623 -2.594 389 HG13 VAL 54 3HG1 VAL 54 0.681 -2.753 -1.802 390 HG21 VAL 54 1HG2 VAL 54 -1.245 -1.441 -0.669 391 HG22 VAL 54 2HG2 VAL 54 -2.565 -2.362 0.053 392 HG23 VAL 54 3HG2 VAL 54 -1.053 -2.148 0.935 393 H VAL 55 H VAL 55 -1.979 -5.970 -2.990 394 HA VAL 55 HA VAL 55 -0.872 -8.342 -1.669 395 HB VAL 55 HB VAL 55 -1.382 -9.429 -3.928 396 HG11 VAL 55 1HG1 VAL 55 -3.786 -8.361 -2.467 397 HG12 VAL 55 2HG1 VAL 55 -3.614 -9.907 -3.299 398 HG13 VAL 55 3HG1 VAL 55 -2.733 -9.608 -1.801 399 HG21 VAL 55 1HG2 VAL 55 -3.005 -8.334 -5.342 400 HG22 VAL 55 2HG2 VAL 55 -3.051 -6.938 -4.265 401 HG23 VAL 55 3HG2 VAL 55 -1.585 -7.302 -5.175 402 H ALA 56 H ALA 56 -0.053 -5.814 -3.858 403 HA ALA 56 HA ALA 56 2.626 -6.957 -4.151 404 HB1 ALA 56 1HB ALA 56 1.461 -5.651 -6.555 405 HB2 ALA 56 2HB ALA 56 2.699 -6.903 -6.434 406 HB3 ALA 56 3HB ALA 56 1.001 -7.316 -6.197 407 H VAL 57 H VAL 57 4.275 -5.415 -4.528 408 HA VAL 57 HA VAL 57 3.505 -2.593 -4.364 409 HB VAL 57 HB VAL 57 5.492 -3.898 -2.498 410 HG11 VAL 57 1HG1 VAL 57 6.246 -1.865 -1.877 411 HG12 VAL 57 2HG1 VAL 57 5.706 -1.399 -3.491 412 HG13 VAL 57 3HG1 VAL 57 4.673 -1.098 -2.093 413 HG21 VAL 57 1HG2 VAL 57 2.952 -2.460 -1.771 414 HG22 VAL 57 2HG2 VAL 57 3.021 -4.205 -2.020 415 HG23 VAL 57 3HG2 VAL 57 3.976 -3.459 -0.739 416 H ASN 58 H ASN 58 4.532 -1.505 -5.896 417 HA ASN 58 HA ASN 58 6.091 -0.842 -7.413 418 HB2 ASN 58 1HB ASN 58 7.743 -2.060 -5.253 419 HB3 ASN 58 2HB ASN 58 8.532 -1.713 -6.789 420 HD21 ASN 58 1HD2 ASN 58 9.754 -0.287 -5.274 421 HD22 ASN 58 2HD2 ASN 58 9.157 1.318 -5.043 422 H GLY 59 H GLY 59 4.639 -3.311 -7.816 423 HA2 GLY 59 1HA GLY 59 4.573 -4.907 -9.478 424 HA3 GLY 59 2HA GLY 59 6.135 -4.322 -10.031 425 H LYS 60 H LYS 60 5.594 -5.399 -6.752 426 HA LYS 60 HA LYS 60 6.988 -7.918 -7.340 427 HB2 LYS 60 1HB LYS 60 7.690 -5.946 -5.160 428 HB3 LYS 60 2HB LYS 60 8.305 -7.592 -5.228 429 HG2 LYS 60 1HG LYS 60 8.682 -5.729 -7.536 430 HG3 LYS 60 2HG LYS 60 9.760 -5.675 -6.139 431 HD2 LYS 60 1HD LYS 60 10.675 -7.720 -6.595 432 HD3 LYS 60 2HD LYS 60 9.208 -8.324 -7.371 433 HE2 LYS 60 1HE LYS 60 9.658 -6.992 -9.337 434 HE3 LYS 60 2HE LYS 60 11.055 -6.254 -8.556 435 HZ1 LYS 60 1HZ LYS 60 10.885 -8.708 -9.969 436 HZ2 LYS 60 2HZ LYS 60 11.460 -8.975 -8.401 437 HZ3 LYS 60 3HZ LYS 60 12.258 -7.885 -9.420 438 H SER 61 H SER 61 6.105 -9.648 -6.392 439 HA SER 61 HA SER 61 3.659 -9.487 -5.025 440 HB2 SER 61 1HB SER 61 4.144 -11.494 -6.218 441 HB3 SER 61 2HB SER 61 5.650 -11.737 -5.334 442 HG SER 61 HG SER 61 3.284 -11.604 -3.862 443 H VAL 62 H VAL 62 3.298 -8.819 -3.026 444 HA VAL 62 HA VAL 62 5.384 -9.255 -0.989 445 HB VAL 62 HB VAL 62 4.712 -7.300 0.139 446 HG11 VAL 62 1HG1 VAL 62 4.277 -5.999 -2.407 447 HG12 VAL 62 2HG1 VAL 62 5.658 -5.902 -1.313 448 HG13 VAL 62 3HG1 VAL 62 5.564 -7.200 -2.503 449 HG21 VAL 62 1HG2 VAL 62 2.315 -7.600 0.057 450 HG22 VAL 62 2HG2 VAL 62 2.725 -5.981 -0.508 451 HG23 VAL 62 3HG2 VAL 62 2.298 -7.238 -1.669 452 H GLU 63 H GLU 63 2.162 -9.930 -1.921 453 HA GLU 63 HA GLU 63 0.880 -10.328 0.512 454 HB2 GLU 63 1HB GLU 63 -0.726 -11.562 -0.661 455 HB3 GLU 63 2HB GLU 63 -0.063 -10.476 -1.874 456 HG2 GLU 63 1HG GLU 63 1.555 -12.560 -2.257 457 HG3 GLU 63 2HG GLU 63 0.142 -13.413 -1.636 458 H ALA 64 H ALA 64 3.540 -11.975 -0.783 459 HA ALA 64 HA ALA 64 3.059 -14.385 0.808 460 HB1 ALA 64 1HB ALA 64 4.549 -15.488 -0.526 461 HB2 ALA 64 2HB ALA 64 3.981 -14.262 -1.660 462 HB3 ALA 64 3HB ALA 64 5.520 -14.047 -0.826 463 H LEU 65 H LEU 65 4.845 -11.449 0.846 464 HA LEU 65 HA LEU 65 6.883 -12.352 2.667 465 HB2 LEU 65 1HB LEU 65 6.117 -9.778 1.401 466 HB3 LEU 65 2HB LEU 65 7.060 -9.709 2.888 467 HG LEU 65 HG LEU 65 7.957 -11.310 0.508 468 HD11 LEU 65 1HD1 LEU 65 8.087 -8.383 0.975 469 HD12 LEU 65 2HD1 LEU 65 7.966 -9.287 -0.534 470 HD13 LEU 65 3HD1 LEU 65 9.512 -9.179 0.307 471 HD21 LEU 65 1HD2 LEU 65 8.891 -11.542 2.916 472 HD22 LEU 65 2HD2 LEU 65 9.679 -10.001 2.575 473 HD23 LEU 65 3HD2 LEU 65 10.014 -11.407 1.563 474 H ASP 66 H ASP 66 7.172 -10.817 4.696 475 HA ASP 66 HA ASP 66 4.654 -11.011 6.201 476 HB2 ASP 66 1HB ASP 66 7.371 -10.722 7.455 477 HB3 ASP 66 2HB ASP 66 5.901 -11.398 8.151 478 H HIS 67 H HIS 67 4.557 -9.399 8.087 479 HA HIS 67 HA HIS 67 4.025 -6.903 7.317 480 HB2 HIS 67 1HB HIS 67 3.694 -7.685 9.618 481 HB3 HIS 67 2HB HIS 67 5.429 -7.596 9.907 482 HD1 HIS 67 1HD HIS 67 2.626 -5.830 10.841 483 HD2 HIS 67 2HD HIS 67 6.192 -4.651 9.064 484 HE1 HIS 67 1HE HIS 67 2.840 -3.373 11.330 485 HE2 HIS 67 2HE HIS 67 4.962 -2.664 10.172 486 H ASP 68 H ASP 68 7.255 -7.855 8.486 487 HA ASP 68 HA ASP 68 8.515 -5.403 7.998 488 HB2 ASP 68 1HB ASP 68 9.444 -8.212 8.379 489 HB3 ASP 68 2HB ASP 68 10.596 -7.034 7.756 490 H GLY 69 H GLY 69 8.634 -8.373 6.016 491 HA2 GLY 69 1HA GLY 69 10.073 -7.522 3.874 492 HA3 GLY 69 2HA GLY 69 8.701 -8.609 3.721 493 H VAL 70 H VAL 70 6.513 -7.289 3.962 494 HA VAL 70 HA VAL 70 6.227 -5.769 1.652 495 HB VAL 70 HB VAL 70 4.432 -5.545 4.066 496 HG11 VAL 70 1HG1 VAL 70 3.572 -4.027 2.602 497 HG12 VAL 70 2HG1 VAL 70 4.211 -4.863 1.185 498 HG13 VAL 70 3HG1 VAL 70 2.772 -5.478 2.000 499 HG21 VAL 70 1HG2 VAL 70 3.373 -7.420 2.274 500 HG22 VAL 70 2HG2 VAL 70 5.067 -7.861 2.486 501 HG23 VAL 70 3HG2 VAL 70 4.010 -7.721 3.891 502 H VAL 71 H VAL 71 6.158 -4.586 5.020 503 HA VAL 71 HA VAL 71 6.094 -1.862 4.420 504 HB VAL 71 HB VAL 71 7.143 -3.336 6.829 505 HG11 VAL 71 1HG1 VAL 71 7.034 -1.049 7.938 506 HG12 VAL 71 2HG1 VAL 71 8.405 -1.351 6.869 507 HG13 VAL 71 3HG1 VAL 71 7.044 -0.378 6.307 508 HG21 VAL 71 1HG2 VAL 71 4.874 -1.516 7.094 509 HG22 VAL 71 2HG2 VAL 71 4.585 -2.848 5.975 510 HG23 VAL 71 3HG2 VAL 71 5.060 -3.183 7.640 511 H GLU 72 H GLU 72 8.653 -4.116 4.141 512 HA GLU 72 HA GLU 72 10.782 -2.178 4.328 513 HB2 GLU 72 1HB GLU 72 10.989 -4.635 4.921 514 HB3 GLU 72 2HB GLU 72 10.950 -4.969 3.196 515 HG2 GLU 72 1HG GLU 72 13.192 -4.903 3.510 516 HG3 GLU 72 2HG GLU 72 12.904 -3.199 3.164 517 H MET 73 H MET 73 9.250 -4.057 1.728 518 HA MET 73 HA MET 73 10.741 -3.224 -0.425 519 HB2 MET 73 1HB MET 73 7.762 -3.719 -0.295 520 HB3 MET 73 2HB MET 73 8.681 -3.580 -1.788 521 HG2 MET 73 1HG MET 73 9.345 -5.614 0.314 522 HG3 MET 73 2HG MET 73 8.158 -5.916 -0.953 523 HE1 MET 73 1HE MET 73 9.082 -7.376 -3.091 524 HE2 MET 73 2HE MET 73 8.583 -5.711 -3.385 525 HE3 MET 73 3HE MET 73 10.058 -6.334 -4.126 526 H ILE 74 H ILE 74 8.159 -1.506 1.239 527 HA ILE 74 HA ILE 74 7.861 0.597 -0.618 528 HB ILE 74 HB ILE 74 7.310 0.506 2.347 529 HG12 ILE 74 1HG1 ILE 74 5.251 0.609 0.172 530 HG13 ILE 74 2HG1 ILE 74 6.029 -0.921 0.557 531 HG21 ILE 74 1HG2 ILE 74 6.491 2.614 0.353 532 HG22 ILE 74 2HG2 ILE 74 6.016 2.545 2.049 533 HG23 ILE 74 3HG2 ILE 74 7.705 2.811 1.617 534 HD11 ILE 74 1HD1 ILE 74 4.950 -1.127 2.524 535 HD12 ILE 74 2HD1 ILE 74 4.946 0.611 2.832 536 HD13 ILE 74 3HD1 ILE 74 3.777 -0.090 1.713 537 H ARG 75 H ARG 75 9.862 0.271 2.294 538 HA ARG 75 HA ARG 75 10.940 2.869 2.255 539 HB2 ARG 75 1HB ARG 75 11.691 0.279 3.525 540 HB3 ARG 75 2HB ARG 75 12.897 1.558 3.484 541 HG2 ARG 75 1HG ARG 75 11.914 1.992 5.491 542 HG3 ARG 75 2HG ARG 75 10.922 3.004 4.439 543 HD2 ARG 75 1HD ARG 75 9.333 1.054 4.263 544 HD3 ARG 75 2HD ARG 75 10.264 0.282 5.545 545 HE ARG 75 HE ARG 75 8.437 2.506 5.811 546 HH11 ARG 75 2HH1 ARG 75 11.045 0.698 7.242 547 HH12 ARG 75 1HH1 ARG 75 10.688 1.210 8.858 548 HH21 ARG 75 2HH2 ARG 75 7.956 3.188 7.934 549 HH22 ARG 75 1HH2 ARG 75 8.930 2.626 9.251 550 H LYS 76 H LYS 76 12.068 -0.170 0.830 551 HA LYS 76 HA LYS 76 14.536 0.731 -0.128 552 HB2 LYS 76 1HB LYS 76 12.666 -1.409 -1.144 553 HB3 LYS 76 2HB LYS 76 14.264 -1.135 -1.824 554 HG2 LYS 76 1HG LYS 76 15.344 -1.955 0.016 555 HG3 LYS 76 2HG LYS 76 14.021 -1.544 1.111 556 HD2 LYS 76 1HD LYS 76 13.746 -3.808 1.026 557 HD3 LYS 76 2HD LYS 76 12.741 -3.345 -0.349 558 HE2 LYS 76 1HE LYS 76 15.653 -4.045 -0.630 559 HE3 LYS 76 2HE LYS 76 14.375 -5.256 -0.715 560 HZ1 LYS 76 1HZ LYS 76 15.261 -3.471 -2.718 561 HZ2 LYS 76 2HZ LYS 76 13.621 -3.198 -2.405 562 HZ3 LYS 76 3HZ LYS 76 14.152 -4.743 -2.843 563 H GLY 77 H GLY 77 11.296 1.117 -1.384 564 HA2 GLY 77 1HA GLY 77 11.752 1.755 -4.028 565 HA3 GLY 77 2HA GLY 77 10.488 2.482 -3.047 566 H GLY 78 H GLY 78 12.303 3.755 -1.183 567 HA2 GLY 78 1HA GLY 78 13.996 5.448 -1.194 568 HA3 GLY 78 2HA GLY 78 13.718 5.664 -2.916 569 H ASP 79 H ASP 79 12.441 7.285 -3.554 570 HA ASP 79 HA ASP 79 11.185 8.916 -1.494 571 HB2 ASP 79 1HB ASP 79 11.241 9.572 -4.429 572 HB3 ASP 79 2HB ASP 79 11.163 10.672 -3.055 573 H GLN 80 H GLN 80 10.262 7.512 -4.639 574 HA GLN 80 HA GLN 80 7.465 7.535 -3.715 575 HB2 GLN 80 1HB GLN 80 6.738 7.838 -5.950 576 HB3 GLN 80 2HB GLN 80 8.047 8.987 -5.706 577 HG2 GLN 80 1HG GLN 80 9.534 7.756 -7.012 578 HG3 GLN 80 2HG GLN 80 8.547 6.299 -6.922 579 HE21 GLN 80 1HE2 GLN 80 8.395 6.018 -9.115 580 HE22 GLN 80 2HE2 GLN 80 7.496 7.076 -10.143 581 H THR 81 H THR 81 6.140 5.744 -4.258 582 HA THR 81 HA THR 81 7.361 3.381 -5.403 583 HB THR 81 HB THR 81 8.072 3.201 -3.064 584 HG1 THR 81 1HG THR 81 5.967 1.340 -3.387 585 HG21 THR 81 1HG2 THR 81 6.766 3.795 -1.358 586 HG22 THR 81 2HG2 THR 81 5.530 2.639 -1.852 587 HG23 THR 81 3HG2 THR 81 5.529 4.270 -2.521 588 H THR 82 H THR 82 5.892 2.151 -6.425 589 HA THR 82 HA THR 82 3.126 3.013 -6.382 590 HB THR 82 HB THR 82 4.368 0.801 -8.025 591 HG1 THR 82 1HG THR 82 3.789 3.350 -9.058 592 HG21 THR 82 1HG2 THR 82 1.883 0.796 -7.809 593 HG22 THR 82 2HG2 THR 82 2.451 1.048 -9.459 594 HG23 THR 82 3HG2 THR 82 1.863 2.413 -8.511 595 H LEU 83 H LEU 83 1.381 1.823 -5.714 596 HA LEU 83 HA LEU 83 1.961 -0.732 -4.368 597 HB2 LEU 83 1HB LEU 83 -0.261 0.985 -3.401 598 HB3 LEU 83 2HB LEU 83 0.746 -0.161 -2.518 599 HG LEU 83 HG LEU 83 1.610 2.587 -3.417 600 HD11 LEU 83 1HD1 LEU 83 0.144 3.050 -1.705 601 HD12 LEU 83 2HD1 LEU 83 1.659 2.845 -0.826 602 HD13 LEU 83 3HD1 LEU 83 0.478 1.536 -0.864 603 HD21 LEU 83 1HD2 LEU 83 3.424 1.985 -1.637 604 HD22 LEU 83 2HD2 LEU 83 3.583 1.411 -3.298 605 HD23 LEU 83 3HD2 LEU 83 2.986 0.325 -2.042 606 H LEU 84 H LEU 84 0.096 -2.177 -4.166 607 HA LEU 84 HA LEU 84 -1.995 -1.714 -6.174 608 HB2 LEU 84 1HB LEU 84 -0.255 -3.113 -7.184 609 HB3 LEU 84 2HB LEU 84 -0.414 -4.262 -5.858 610 HG LEU 84 HG LEU 84 -2.803 -4.607 -6.609 611 HD11 LEU 84 1HD1 LEU 84 -2.913 -4.063 -9.190 612 HD12 LEU 84 2HD1 LEU 84 -1.833 -2.752 -8.717 613 HD13 LEU 84 3HD1 LEU 84 -3.427 -2.891 -7.976 614 HD21 LEU 84 1HD2 LEU 84 -0.934 -5.359 -8.811 615 HD22 LEU 84 2HD2 LEU 84 -2.188 -6.317 -8.022 616 HD23 LEU 84 3HD2 LEU 84 -0.667 -5.993 -7.187 617 H VAL 85 H VAL 85 -3.763 -1.584 -4.938 618 HA VAL 85 HA VAL 85 -4.148 -3.609 -2.833 619 HB VAL 85 HB VAL 85 -5.687 -2.095 -1.752 620 HG11 VAL 85 1HG1 VAL 85 -3.644 -0.085 -2.188 621 HG12 VAL 85 2HG1 VAL 85 -4.019 -1.017 -0.738 622 HG13 VAL 85 3HG1 VAL 85 -2.956 -1.694 -1.972 623 HG21 VAL 85 1HG2 VAL 85 -6.331 -1.095 -4.092 624 HG22 VAL 85 2HG2 VAL 85 -6.492 -0.129 -2.625 625 HG23 VAL 85 3HG2 VAL 85 -5.099 0.098 -3.682 626 H LEU 86 H LEU 86 -6.273 -4.500 -2.558 627 HA LEU 86 HA LEU 86 -7.671 -4.792 -5.113 628 HB2 LEU 86 1HB LEU 86 -7.349 -6.455 -2.682 629 HB3 LEU 86 2HB LEU 86 -8.870 -6.602 -3.560 630 HG LEU 86 HG LEU 86 -7.209 -8.323 -4.178 631 HD11 LEU 86 1HD1 LEU 86 -8.980 -7.472 -5.740 632 HD12 LEU 86 2HD1 LEU 86 -7.578 -8.202 -6.520 633 HD13 LEU 86 3HD1 LEU 86 -7.744 -6.447 -6.470 634 HD21 LEU 86 1HD2 LEU 86 -5.452 -7.146 -5.868 635 HD22 LEU 86 2HD2 LEU 86 -5.086 -7.584 -4.199 636 HD23 LEU 86 3HD2 LEU 86 -5.555 -5.930 -4.595 637 H ASP 87 H ASP 87 -10.027 -4.858 -5.127 638 HA ASP 87 HA ASP 87 -11.123 -2.757 -3.428 639 HB2 ASP 87 1HB ASP 87 -12.824 -2.496 -5.029 640 HB3 ASP 87 2HB ASP 87 -11.388 -2.858 -5.984 641 H LYS 88 H LYS 88 -11.902 -6.084 -4.408 642 HA LYS 88 HA LYS 88 -14.035 -6.291 -2.482 643 HB2 LYS 88 1HB LYS 88 -12.721 -8.312 -4.301 644 HB3 LYS 88 2HB LYS 88 -14.046 -8.707 -3.214 645 HG2 LYS 88 1HG LYS 88 -14.215 -6.590 -5.344 646 HG3 LYS 88 2HG LYS 88 -14.708 -8.268 -5.582 647 HD2 LYS 88 1HD LYS 88 -16.388 -8.080 -3.879 648 HD3 LYS 88 2HD LYS 88 -15.812 -6.474 -3.424 649 HE2 LYS 88 1HE LYS 88 -16.394 -5.694 -5.719 650 HE3 LYS 88 2HE LYS 88 -17.113 -7.275 -6.024 651 HZ1 LYS 88 1HZ LYS 88 -18.964 -6.600 -5.048 652 HZ2 LYS 88 2HZ LYS 88 -18.294 -5.065 -4.810 653 HZ3 LYS 88 3HZ LYS 88 -18.135 -6.252 -3.615 654 H GLU 89 H GLU 89 -10.694 -7.381 -2.755 655 HA GLU 89 HA GLU 89 -10.830 -8.823 -0.244 656 HB2 GLU 89 1HB GLU 89 -8.247 -8.239 -1.623 657 HB3 GLU 89 2HB GLU 89 -8.749 -9.683 -0.756 658 HG2 GLU 89 1HG GLU 89 -10.460 -9.850 -2.765 659 HG3 GLU 89 2HG GLU 89 -9.217 -8.899 -3.575 660 H ALA 90 H ALA 90 -11.077 -5.768 -0.623 661 HA ALA 90 HA ALA 90 -8.841 -4.777 0.931 662 HB1 ALA 90 1HB ALA 90 -10.482 -3.629 -0.935 663 HB2 ALA 90 2HB ALA 90 -11.108 -2.972 0.577 664 HB3 ALA 90 3HB ALA 90 -9.409 -2.756 0.160 665 H GLU 91 H GLU 91 -12.378 -4.962 1.351 666 HA GLU 91 HA GLU 91 -12.206 -4.234 4.127 667 HB2 GLU 91 1HB GLU 91 -14.618 -4.567 4.162 668 HB3 GLU 91 2HB GLU 91 -14.154 -3.615 2.759 669 HG2 GLU 91 1HG GLU 91 -15.723 -5.096 1.921 670 HG3 GLU 91 2HG GLU 91 -14.184 -5.835 1.483 671 H SER 92 H SER 92 -12.273 -5.528 5.891 672 HA SER 92 HA SER 92 -12.545 -8.426 5.463 673 HB2 SER 92 1HB SER 92 -10.203 -8.165 5.671 674 HB3 SER 92 2HB SER 92 -10.367 -6.967 6.954 675 HG SER 92 HG SER 92 -10.324 -8.547 8.321 676 H ILE 93 H ILE 93 -14.023 -9.310 6.740 677 HA ILE 93 HA ILE 93 -14.901 -7.813 9.113 678 HB ILE 93 HB ILE 93 -16.991 -9.054 8.978 679 HG12 ILE 93 1HG1 ILE 93 -17.206 -10.333 6.641 680 HG13 ILE 93 2HG1 ILE 93 -15.482 -10.570 6.906 681 HG21 ILE 93 1HG2 ILE 93 -17.911 -7.821 7.275 682 HG22 ILE 93 2HG2 ILE 93 -16.381 -6.975 7.502 683 HG23 ILE 93 3HG2 ILE 93 -16.564 -8.126 6.179 684 HD11 ILE 93 1HD1 ILE 93 -17.798 -11.700 8.343 685 HD12 ILE 93 2HD1 ILE 93 -16.240 -12.423 7.943 686 HD13 ILE 93 3HD1 ILE 93 -16.373 -11.309 9.303 687 H TYR 94 H TYR 94 -15.851 -9.304 10.862 688 HA TYR 94 HA TYR 94 -13.855 -11.388 11.411 689 HB2 TYR 94 1HB TYR 94 -14.464 -11.103 13.775 690 HB3 TYR 94 2HB TYR 94 -13.957 -9.579 13.057 691 HD1 TYR 94 1HD TYR 94 -17.096 -11.531 13.630 692 HD2 TYR 94 2HD TYR 94 -15.228 -7.710 13.514 693 HE1 TYR 94 1HE TYR 94 -19.195 -10.489 14.377 694 HE2 TYR 94 2HE TYR 94 -17.321 -6.658 14.261 695 HH TYR 94 HH TYR 94 -19.687 -8.097 15.717 696 H SER 95 H SER 95 -14.474 -13.420 12.180 697 HA SER 95 HA SER 95 -17.067 -14.299 11.235 698 HB2 SER 95 1HB SER 95 -16.240 -16.533 11.531 699 HB3 SER 95 2HB SER 95 -14.933 -15.582 10.826 700 HG SER 95 HG SER 95 -14.156 -15.324 13.029 701 H LEU 96 H LEU 96 -18.578 -15.467 12.506 702 HA LEU 96 HA LEU 96 -18.312 -15.151 15.413 703 HB2 LEU 96 1HB LEU 96 -20.440 -14.216 15.665 704 HB3 LEU 96 2HB LEU 96 -19.706 -13.329 14.330 705 HG LEU 96 HG LEU 96 -21.931 -13.682 13.685 706 HD11 LEU 96 1HD1 LEU 96 -20.451 -15.972 12.410 707 HD12 LEU 96 2HD1 LEU 96 -20.193 -14.280 11.986 708 HD13 LEU 96 3HD1 LEU 96 -21.771 -15.023 11.726 709 HD21 LEU 96 1HD2 LEU 96 -23.224 -15.513 14.127 710 HD22 LEU 96 2HD2 LEU 96 -22.103 -15.600 15.487 711 HD23 LEU 96 3HD2 LEU 96 -21.860 -16.630 14.075 712 H SER 97 H SER 97 -18.572 -17.258 13.011 713 HA SER 97 HA SER 97 -20.705 -18.938 13.954 714 HB2 SER 97 1HB SER 97 -19.907 -20.534 12.268 715 HB3 SER 97 2HB SER 97 -20.049 -18.918 11.578 716 HG SER 97 HG SER 97 -17.658 -18.888 12.350 717 H GLY 98 H GLY 98 -20.460 -19.767 15.948 718 HA2 GLY 98 1HA GLY 98 -18.411 -21.740 16.372 719 HA3 GLY 98 2HA GLY 98 -18.195 -20.310 17.369 720 HA PRO 99 HA PRO 99 -22.386 -22.371 18.688 721 HB2 PRO 99 1HB PRO 99 -22.764 -24.917 17.825 722 HB3 PRO 99 2HB PRO 99 -23.331 -23.504 16.927 723 HG2 PRO 99 1HG PRO 99 -20.872 -25.158 16.501 724 HG3 PRO 99 2HG PRO 99 -22.009 -24.514 15.302 725 HD2 PRO 99 1HD PRO 99 -19.623 -23.345 15.822 726 HD3 PRO 99 2HD PRO 99 -21.057 -22.415 15.341 727 H SER 100 H SER 100 -22.815 -23.886 20.412 728 HA SER 100 HA SER 100 -20.697 -25.691 21.217 729 HB2 SER 100 1HB SER 100 -20.104 -23.345 22.066 730 HB3 SER 100 2HB SER 100 -21.489 -23.509 23.144 731 HG SER 100 HG SER 100 -19.254 -24.222 23.858 732 H SER 101 H SER 101 -21.283 -26.803 23.315 733 HA SER 101 HA SER 101 -24.189 -26.925 23.723 734 HB2 SER 101 1HB SER 101 -24.139 -29.368 23.712 735 HB3 SER 101 2HB SER 101 -23.546 -28.745 22.173 736 HG SER 101 HG SER 101 -21.411 -29.070 22.986 737 H GLY 102 H GLY 102 -24.854 -27.494 25.789 738 HA2 GLY 102 1HA GLY 102 -24.578 -28.166 28.023 739 HA3 GLY 102 2HA GLY 102 -22.838 -28.189 27.778 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -12.880 -4.236 -24.086 2 HA2 GLY 1 1HA GLY 1 -13.994 -6.796 -24.150 3 HA3 GLY 1 2HA GLY 1 -12.305 -6.441 -23.821 4 H SER 2 H SER 2 -11.535 -6.622 -21.776 5 HA SER 2 HA SER 2 -13.308 -7.863 -19.838 6 HB2 SER 2 1HB SER 2 -11.042 -8.797 -20.298 7 HB3 SER 2 2HB SER 2 -10.336 -7.324 -19.633 8 HG SER 2 HG SER 2 -10.409 -8.563 -17.890 9 H SER 3 H SER 3 -14.033 -6.955 -18.002 10 HA SER 3 HA SER 3 -13.076 -4.245 -17.350 11 HB2 SER 3 1HB SER 3 -15.291 -3.572 -16.783 12 HB3 SER 3 2HB SER 3 -15.412 -4.383 -18.344 13 HG SER 3 HG SER 3 -15.790 -6.319 -16.800 14 H GLY 4 H GLY 4 -13.877 -3.661 -15.009 15 HA2 GLY 4 1HA GLY 4 -14.366 -4.664 -12.809 16 HA3 GLY 4 2HA GLY 4 -13.300 -5.982 -13.272 17 H SER 5 H SER 5 -12.981 -4.560 -10.898 18 HA SER 5 HA SER 5 -11.065 -2.475 -11.139 19 HB2 SER 5 1HB SER 5 -10.654 -3.072 -8.656 20 HB3 SER 5 2HB SER 5 -12.253 -2.482 -9.111 21 HG SER 5 HG SER 5 -11.438 -5.102 -8.477 22 H SER 6 H SER 6 -10.751 -5.890 -10.165 23 HA SER 6 HA SER 6 -8.933 -7.264 -10.031 24 HB2 SER 6 1HB SER 6 -7.721 -7.517 -12.056 25 HB3 SER 6 2HB SER 6 -9.317 -6.942 -12.537 26 HG SER 6 HG SER 6 -7.692 -5.782 -13.609 27 H GLY 7 H GLY 7 -8.629 -5.184 -8.312 28 HA2 GLY 7 1HA GLY 7 -6.969 -4.298 -6.980 29 HA3 GLY 7 2HA GLY 7 -5.787 -5.072 -8.025 30 H ARG 8 H ARG 8 -6.686 -2.180 -6.880 31 HA ARG 8 HA ARG 8 -6.309 -0.669 -9.343 32 HB2 ARG 8 1HB ARG 8 -6.803 1.299 -7.981 33 HB3 ARG 8 2HB ARG 8 -8.040 0.067 -7.771 34 HG2 ARG 8 1HG ARG 8 -7.056 -0.591 -5.651 35 HG3 ARG 8 2HG ARG 8 -5.769 0.598 -5.866 36 HD2 ARG 8 1HD ARG 8 -7.273 1.681 -4.461 37 HD3 ARG 8 2HD ARG 8 -7.678 2.313 -6.056 38 HE ARG 8 HE ARG 8 -9.378 0.266 -5.852 39 HH11 ARG 8 2HH1 ARG 8 -8.555 2.793 -3.603 40 HH12 ARG 8 1HH1 ARG 8 -10.116 2.812 -2.852 41 HH21 ARG 8 2HH2 ARG 8 -11.437 0.281 -4.871 42 HH22 ARG 8 1HH2 ARG 8 -11.754 1.382 -3.573 43 H VAL 9 H VAL 9 -4.653 0.893 -9.603 44 HA VAL 9 HA VAL 9 -2.194 0.197 -8.164 45 HB VAL 9 HB VAL 9 -2.554 1.715 -10.751 46 HG11 VAL 9 1HG1 VAL 9 -0.152 1.038 -9.107 47 HG12 VAL 9 2HG1 VAL 9 -0.015 1.155 -10.862 48 HG13 VAL 9 3HG1 VAL 9 -0.563 2.546 -9.924 49 HG21 VAL 9 1HG2 VAL 9 -2.953 -0.392 -11.474 50 HG22 VAL 9 2HG2 VAL 9 -1.193 -0.498 -11.427 51 HG23 VAL 9 3HG2 VAL 9 -2.151 -1.137 -10.091 52 H VAL 10 H VAL 10 -1.292 1.557 -6.762 53 HA VAL 10 HA VAL 10 -2.247 4.347 -6.719 54 HB VAL 10 HB VAL 10 -1.140 2.821 -4.363 55 HG11 VAL 10 1HG1 VAL 10 -2.746 5.371 -4.477 56 HG12 VAL 10 2HG1 VAL 10 -2.029 4.630 -3.045 57 HG13 VAL 10 3HG1 VAL 10 -0.992 5.296 -4.307 58 HG21 VAL 10 1HG2 VAL 10 -3.205 2.089 -3.767 59 HG22 VAL 10 2HG2 VAL 10 -4.029 3.453 -4.523 60 HG23 VAL 10 3HG2 VAL 10 -3.445 2.117 -5.515 61 H VAL 11 H VAL 11 -0.736 5.986 -6.136 62 HA VAL 11 HA VAL 11 2.096 5.245 -6.225 63 HB VAL 11 HB VAL 11 0.829 7.285 -8.058 64 HG11 VAL 11 1HG1 VAL 11 3.390 7.317 -6.907 65 HG12 VAL 11 2HG1 VAL 11 3.605 6.786 -8.576 66 HG13 VAL 11 3HG1 VAL 11 2.790 8.313 -8.232 67 HG21 VAL 11 1HG2 VAL 11 2.508 4.953 -8.899 68 HG22 VAL 11 2HG2 VAL 11 0.783 4.753 -8.591 69 HG23 VAL 11 3HG2 VAL 11 1.332 5.876 -9.835 70 H ILE 12 H ILE 12 3.025 6.134 -4.513 71 HA ILE 12 HA ILE 12 2.125 8.806 -3.650 72 HB ILE 12 HB ILE 12 3.216 6.697 -1.794 73 HG12 ILE 12 1HG1 ILE 12 0.324 7.440 -1.814 74 HG13 ILE 12 2HG1 ILE 12 0.899 6.297 -3.023 75 HG21 ILE 12 1HG2 ILE 12 3.507 8.858 -0.886 76 HG22 ILE 12 2HG2 ILE 12 1.900 9.371 -1.399 77 HG23 ILE 12 3HG2 ILE 12 2.076 8.190 -0.100 78 HD11 ILE 12 1HD1 ILE 12 1.369 4.683 -1.467 79 HD12 ILE 12 2HD1 ILE 12 1.573 5.849 -0.159 80 HD13 ILE 12 3HD1 ILE 12 -0.043 5.459 -0.748 81 H LYS 13 H LYS 13 3.752 10.096 -2.545 82 HA LYS 13 HA LYS 13 6.526 9.317 -3.073 83 HB2 LYS 13 1HB LYS 13 5.755 12.131 -3.684 84 HB3 LYS 13 2HB LYS 13 7.053 11.153 -4.357 85 HG2 LYS 13 1HG LYS 13 5.547 9.981 -5.773 86 HG3 LYS 13 2HG LYS 13 4.145 10.682 -4.961 87 HD2 LYS 13 1HD LYS 13 4.699 11.716 -7.174 88 HD3 LYS 13 2HD LYS 13 4.638 12.853 -5.824 89 HE2 LYS 13 1HE LYS 13 6.559 13.290 -7.267 90 HE3 LYS 13 2HE LYS 13 7.070 12.794 -5.655 91 HZ1 LYS 13 1HZ LYS 13 7.649 11.595 -8.150 92 HZ2 LYS 13 2HZ LYS 13 6.866 10.479 -7.150 93 HZ3 LYS 13 3HZ LYS 13 8.285 11.236 -6.624 94 H LYS 14 H LYS 14 7.553 9.441 -1.199 95 HA LYS 14 HA LYS 14 6.758 10.402 1.178 96 HB2 LYS 14 1HB LYS 14 9.023 9.297 0.416 97 HB3 LYS 14 2HB LYS 14 9.598 10.959 0.418 98 HG2 LYS 14 1HG LYS 14 9.166 11.202 2.733 99 HG3 LYS 14 2HG LYS 14 8.257 9.690 2.789 100 HD2 LYS 14 1HD LYS 14 11.095 9.620 1.885 101 HD3 LYS 14 2HD LYS 14 10.759 9.811 3.608 102 HE2 LYS 14 1HE LYS 14 9.390 7.663 2.042 103 HE3 LYS 14 2HE LYS 14 11.048 7.429 2.593 104 HZ1 LYS 14 1HZ LYS 14 10.378 7.125 4.683 105 HZ2 LYS 14 2HZ LYS 14 8.828 6.905 4.045 106 HZ3 LYS 14 3HZ LYS 14 9.290 8.419 4.640 107 H GLY 15 H GLY 15 6.456 12.305 2.196 108 HA2 GLY 15 1HA GLY 15 7.528 14.751 0.981 109 HA3 GLY 15 2HA GLY 15 5.788 14.628 1.199 110 H SER 16 H SER 16 5.396 16.110 2.742 111 HA SER 16 HA SER 16 6.975 16.955 4.802 112 HB2 SER 16 1HB SER 16 3.995 16.730 4.527 113 HB3 SER 16 2HB SER 16 4.697 17.297 6.043 114 HG SER 16 HG SER 16 4.289 19.054 4.700 115 H ASN 17 H ASN 17 4.297 14.677 5.389 116 HA ASN 17 HA ASN 17 5.908 13.485 7.543 117 HB2 ASN 17 1HB ASN 17 2.913 13.585 7.135 118 HB3 ASN 17 2HB ASN 17 3.699 12.651 8.405 119 HD21 ASN 17 1HD2 ASN 17 5.278 13.973 9.747 120 HD22 ASN 17 2HD2 ASN 17 4.733 15.537 10.237 121 H GLY 18 H GLY 18 7.032 12.197 5.912 122 HA2 GLY 18 1HA GLY 18 7.369 10.288 4.674 123 HA3 GLY 18 2HA GLY 18 6.250 9.563 5.818 124 H TYR 19 H TYR 19 4.839 8.386 4.704 125 HA TYR 19 HA TYR 19 3.889 9.347 2.111 126 HB2 TYR 19 1HB TYR 19 3.617 6.673 3.494 127 HB3 TYR 19 2HB TYR 19 2.882 7.053 1.940 128 HD1 TYR 19 1HD TYR 19 6.064 6.498 3.704 129 HD2 TYR 19 2HD TYR 19 4.200 7.145 -0.065 130 HE1 TYR 19 1HE TYR 19 8.144 5.839 2.569 131 HE2 TYR 19 2HE TYR 19 6.274 6.487 -1.211 132 HH TYR 19 HH TYR 19 9.025 6.537 -0.207 133 H GLY 20 H GLY 20 2.512 7.976 5.106 134 HA2 GLY 20 1HA GLY 20 0.714 9.227 6.204 135 HA3 GLY 20 2HA GLY 20 0.104 9.613 4.601 136 H PHE 21 H PHE 21 1.290 6.437 5.459 137 HA PHE 21 HA PHE 21 -1.369 5.396 5.933 138 HB2 PHE 21 1HB PHE 21 -1.501 3.958 4.060 139 HB3 PHE 21 2HB PHE 21 -1.030 5.523 3.405 140 HD1 PHE 21 2HD PHE 21 0.077 2.112 4.137 141 HD2 PHE 21 1HD PHE 21 1.145 5.868 2.444 142 HE1 PHE 21 2HE PHE 21 2.029 1.069 3.063 143 HE2 PHE 21 1HE PHE 21 3.098 4.830 1.366 144 HZ PHE 21 HZ PHE 21 3.543 2.428 1.675 145 H TYR 22 H TYR 22 -1.353 3.524 7.091 146 HA TYR 22 HA TYR 22 1.296 2.496 7.840 147 HB2 TYR 22 1HB TYR 22 -1.352 2.339 9.292 148 HB3 TYR 22 2HB TYR 22 0.144 1.604 9.858 149 HD1 TYR 22 1HD TYR 22 -1.298 4.904 8.890 150 HD2 TYR 22 2HD TYR 22 1.568 2.815 11.241 151 HE1 TYR 22 1HE TYR 22 -0.702 7.006 10.019 152 HE2 TYR 22 2HE TYR 22 2.172 4.911 12.378 153 HH TYR 22 HH TYR 22 1.798 7.704 11.404 154 H LEU 23 H LEU 23 1.161 0.107 8.600 155 HA LEU 23 HA LEU 23 -0.556 -1.469 6.821 156 HB2 LEU 23 1HB LEU 23 2.438 -1.700 7.053 157 HB3 LEU 23 2HB LEU 23 1.414 -2.932 6.318 158 HG LEU 23 HG LEU 23 1.590 -0.095 5.316 159 HD11 LEU 23 1HD1 LEU 23 2.911 -1.284 3.443 160 HD12 LEU 23 2HD1 LEU 23 3.217 -2.520 4.663 161 HD13 LEU 23 3HD1 LEU 23 3.745 -0.860 4.938 162 HD21 LEU 23 1HD2 LEU 23 0.870 -2.137 3.416 163 HD22 LEU 23 2HD2 LEU 23 0.002 -0.670 3.873 164 HD23 LEU 23 3HD2 LEU 23 -0.223 -2.154 4.801 165 H ARG 24 H ARG 24 -1.147 -3.466 7.602 166 HA ARG 24 HA ARG 24 0.011 -4.371 10.131 167 HB2 ARG 24 1HB ARG 24 -2.033 -2.917 10.553 168 HB3 ARG 24 2HB ARG 24 -2.976 -4.174 9.764 169 HG2 ARG 24 1HG ARG 24 -2.148 -5.787 11.455 170 HG3 ARG 24 2HG ARG 24 -1.346 -4.448 12.279 171 HD2 ARG 24 1HD ARG 24 -3.367 -3.448 12.876 172 HD3 ARG 24 2HD ARG 24 -4.276 -4.345 11.660 173 HE ARG 24 HE ARG 24 -4.501 -6.069 13.150 174 HH11 ARG 24 2HH1 ARG 24 -2.015 -3.905 14.271 175 HH12 ARG 24 1HH1 ARG 24 -1.850 -4.683 15.810 176 HH21 ARG 24 2HH2 ARG 24 -4.292 -7.102 15.173 177 HH22 ARG 24 1HH2 ARG 24 -3.145 -6.502 16.322 178 H ALA 25 H ALA 25 -0.210 -6.585 10.526 179 HA ALA 25 HA ALA 25 -0.296 -8.239 8.242 180 HB1 ALA 25 1HB ALA 25 -0.419 -10.083 10.083 181 HB2 ALA 25 2HB ALA 25 1.036 -9.099 9.911 182 HB3 ALA 25 3HB ALA 25 -0.132 -8.732 11.181 183 H GLY 26 H GLY 26 -2.148 -8.430 7.114 184 HA2 GLY 26 1HA GLY 26 -4.736 -8.413 8.307 185 HA3 GLY 26 2HA GLY 26 -4.366 -8.818 6.637 186 HA PRO 27 HA PRO 27 -5.744 -12.626 9.013 187 HB2 PRO 27 1HB PRO 27 -7.886 -13.190 7.443 188 HB3 PRO 27 2HB PRO 27 -7.983 -12.134 8.857 189 HG2 PRO 27 1HG PRO 27 -7.756 -11.406 5.962 190 HG3 PRO 27 2HG PRO 27 -8.783 -10.691 7.218 191 HD2 PRO 27 1HD PRO 27 -6.467 -9.548 6.405 192 HD3 PRO 27 2HD PRO 27 -7.065 -9.411 8.070 193 H GLU 28 H GLU 28 -6.705 -14.697 7.541 194 HA GLU 28 HA GLU 28 -4.578 -15.922 6.423 195 HB2 GLU 28 1HB GLU 28 -7.458 -16.152 5.538 196 HB3 GLU 28 2HB GLU 28 -6.190 -17.274 5.065 197 HG2 GLU 28 1HG GLU 28 -5.900 -18.024 7.293 198 HG3 GLU 28 2HG GLU 28 -6.907 -16.725 7.930 199 H GLN 29 H GLN 29 -6.731 -13.656 4.797 200 HA GLN 29 HA GLN 29 -5.856 -13.987 2.175 201 HB2 GLN 29 1HB GLN 29 -7.752 -12.490 3.238 202 HB3 GLN 29 2HB GLN 29 -6.506 -11.250 3.183 203 HG2 GLN 29 1HG GLN 29 -7.731 -11.002 1.204 204 HG3 GLN 29 2HG GLN 29 -6.239 -11.814 0.734 205 HE21 GLN 29 1HE2 GLN 29 -6.313 -13.879 -0.046 206 HE22 GLN 29 2HE2 GLN 29 -7.786 -14.702 -0.418 207 H LYS 30 H LYS 30 -3.806 -13.966 1.531 208 HA LYS 30 HA LYS 30 -1.634 -12.851 2.811 209 HB2 LYS 30 1HB LYS 30 -1.941 -13.176 -0.179 210 HB3 LYS 30 2HB LYS 30 -0.427 -13.085 0.712 211 HG2 LYS 30 1HG LYS 30 -2.462 -15.252 1.156 212 HG3 LYS 30 2HG LYS 30 -1.143 -15.383 -0.010 213 HD2 LYS 30 1HD LYS 30 -0.132 -16.349 1.790 214 HD3 LYS 30 2HD LYS 30 0.290 -14.665 2.107 215 HE2 LYS 30 1HE LYS 30 -2.044 -14.723 3.372 216 HE3 LYS 30 2HE LYS 30 -1.653 -16.438 3.487 217 HZ1 LYS 30 1HZ LYS 30 -0.754 -14.455 5.140 218 HZ2 LYS 30 2HZ LYS 30 0.578 -14.790 4.153 219 HZ3 LYS 30 3HZ LYS 30 -0.146 -16.031 5.047 220 H GLY 31 H GLY 31 -0.577 -10.909 2.776 221 HA2 GLY 31 1HA GLY 31 -0.176 -8.788 1.573 222 HA3 GLY 31 2HA GLY 31 -1.910 -8.730 1.288 223 H GLN 32 H GLN 32 -0.574 -6.600 2.428 224 HA GLN 32 HA GLN 32 -1.212 -6.753 5.287 225 HB2 GLN 32 1HB GLN 32 0.254 -4.546 3.841 226 HB3 GLN 32 2HB GLN 32 0.151 -4.794 5.578 227 HG2 GLN 32 1HG GLN 32 1.501 -6.669 3.650 228 HG3 GLN 32 2HG GLN 32 2.323 -5.452 4.625 229 HE21 GLN 32 1HE2 GLN 32 1.866 -8.600 4.452 230 HE22 GLN 32 2HE2 GLN 32 1.847 -9.031 6.124 231 H ILE 33 H ILE 33 -2.483 -5.135 6.288 232 HA ILE 33 HA ILE 33 -4.416 -3.896 4.454 233 HB ILE 33 HB ILE 33 -4.787 -4.260 7.420 234 HG12 ILE 33 1HG1 ILE 33 -5.432 -6.169 5.168 235 HG13 ILE 33 2HG1 ILE 33 -4.415 -6.473 6.572 236 HG21 ILE 33 1HG2 ILE 33 -6.881 -4.091 5.274 237 HG22 ILE 33 2HG2 ILE 33 -7.066 -3.860 7.011 238 HG23 ILE 33 3HG2 ILE 33 -6.210 -2.657 6.048 239 HD11 ILE 33 1HD1 ILE 33 -6.392 -7.583 7.054 240 HD12 ILE 33 2HD1 ILE 33 -6.541 -6.067 7.943 241 HD13 ILE 33 3HD1 ILE 33 -7.393 -6.280 6.414 242 H ILE 34 H ILE 34 -4.708 -1.741 4.390 243 HA ILE 34 HA ILE 34 -2.839 -0.085 5.876 244 HB ILE 34 HB ILE 34 -4.784 0.574 3.666 245 HG12 ILE 34 1HG1 ILE 34 -1.760 0.481 3.745 246 HG13 ILE 34 2HG1 ILE 34 -2.803 -0.720 2.990 247 HG21 ILE 34 1HG2 ILE 34 -2.988 2.343 5.291 248 HG22 ILE 34 2HG2 ILE 34 -3.472 2.774 3.652 249 HG23 ILE 34 3HG2 ILE 34 -4.695 2.554 4.903 250 HD11 ILE 34 1HD1 ILE 34 -2.223 2.080 2.125 251 HD12 ILE 34 2HD1 ILE 34 -2.080 0.576 1.215 252 HD13 ILE 34 3HD1 ILE 34 -3.673 1.240 1.577 253 H LYS 35 H LYS 35 -3.471 1.753 7.098 254 HA LYS 35 HA LYS 35 -6.153 2.392 7.704 255 HB2 LYS 35 1HB LYS 35 -6.053 1.616 10.129 256 HB3 LYS 35 2HB LYS 35 -6.338 0.376 8.915 257 HG2 LYS 35 1HG LYS 35 -3.702 0.172 9.033 258 HG3 LYS 35 2HG LYS 35 -3.976 0.834 10.647 259 HD2 LYS 35 1HD LYS 35 -5.190 -1.670 9.481 260 HD3 LYS 35 2HD LYS 35 -3.985 -1.574 10.767 261 HE2 LYS 35 1HE LYS 35 -6.615 -0.189 11.080 262 HE3 LYS 35 2HE LYS 35 -6.502 -1.927 11.354 263 HZ1 LYS 35 1HZ LYS 35 -6.089 -1.103 13.434 264 HZ2 LYS 35 2HZ LYS 35 -5.285 0.274 12.870 265 HZ3 LYS 35 3HZ LYS 35 -4.509 -1.229 12.844 266 H ASP 36 H ASP 36 -6.280 3.873 9.654 267 HA ASP 36 HA ASP 36 -5.618 5.805 10.655 268 HB2 ASP 36 1HB ASP 36 -3.127 4.131 10.848 269 HB3 ASP 36 2HB ASP 36 -3.162 5.778 11.471 270 H ILE 37 H ILE 37 -5.765 6.032 7.957 271 HA ILE 37 HA ILE 37 -3.391 7.021 6.745 272 HB ILE 37 HB ILE 37 -6.300 7.299 6.009 273 HG12 ILE 37 1HG1 ILE 37 -4.028 5.777 4.713 274 HG13 ILE 37 2HG1 ILE 37 -5.231 5.066 5.784 275 HG21 ILE 37 1HG2 ILE 37 -5.583 8.259 3.887 276 HG22 ILE 37 2HG2 ILE 37 -5.097 9.283 5.237 277 HG23 ILE 37 3HG2 ILE 37 -3.908 8.254 4.440 278 HD11 ILE 37 1HD1 ILE 37 -5.834 6.397 3.154 279 HD12 ILE 37 2HD1 ILE 37 -5.702 4.657 3.413 280 HD13 ILE 37 3HD1 ILE 37 -6.984 5.572 4.207 281 H GLU 38 H GLU 38 -2.528 9.012 6.712 282 HA GLU 38 HA GLU 38 -3.626 11.008 8.493 283 HB2 GLU 38 1HB GLU 38 -1.105 10.921 6.833 284 HB3 GLU 38 2HB GLU 38 -1.549 12.284 7.850 285 HG2 GLU 38 1HG GLU 38 -1.651 10.616 9.766 286 HG3 GLU 38 2HG GLU 38 -0.829 9.496 8.682 287 HA PRO 39 HA PRO 39 -5.746 13.357 5.432 288 HB2 PRO 39 1HB PRO 39 -5.807 15.751 6.710 289 HB3 PRO 39 2HB PRO 39 -6.820 14.383 7.185 290 HG2 PRO 39 1HG PRO 39 -4.245 15.336 8.376 291 HG3 PRO 39 2HG PRO 39 -5.721 14.789 9.193 292 HD2 PRO 39 1HD PRO 39 -3.550 13.199 8.888 293 HD3 PRO 39 2HD PRO 39 -5.206 12.561 8.903 294 H GLY 40 H GLY 40 -5.453 15.085 3.931 295 HA2 GLY 40 1HA GLY 40 -4.098 16.101 2.354 296 HA3 GLY 40 2HA GLY 40 -3.554 17.001 3.762 297 H SER 41 H SER 41 -2.994 13.575 3.481 298 HA SER 41 HA SER 41 -0.116 14.125 3.293 299 HB2 SER 41 1HB SER 41 0.280 12.151 4.475 300 HB3 SER 41 2HB SER 41 -1.213 12.736 5.208 301 HG SER 41 HG SER 41 -2.269 11.337 3.563 302 HA PRO 42 HA PRO 42 0.564 12.570 -0.739 303 HB2 PRO 42 1HB PRO 42 2.422 10.605 0.521 304 HB3 PRO 42 2HB PRO 42 2.705 11.723 -0.818 305 HG2 PRO 42 1HG PRO 42 3.650 12.220 1.640 306 HG3 PRO 42 2HG PRO 42 3.072 13.522 0.583 307 HD2 PRO 42 1HD PRO 42 1.827 12.342 2.989 308 HD3 PRO 42 2HD PRO 42 1.689 13.982 2.322 309 H ALA 43 H ALA 43 -0.115 10.324 1.864 310 HA ALA 43 HA ALA 43 -0.694 8.095 0.158 311 HB1 ALA 43 1HB ALA 43 -0.602 6.965 2.065 312 HB2 ALA 43 2HB ALA 43 -0.311 8.487 2.907 313 HB3 ALA 43 3HB ALA 43 -1.957 7.881 2.725 314 H GLU 44 H GLU 44 -2.620 10.525 1.870 315 HA GLU 44 HA GLU 44 -5.139 9.438 1.114 316 HB2 GLU 44 1HB GLU 44 -5.091 10.832 3.039 317 HB3 GLU 44 2HB GLU 44 -4.296 12.133 2.166 318 HG2 GLU 44 1HG GLU 44 -7.070 11.175 1.525 319 HG3 GLU 44 2HG GLU 44 -6.728 12.478 2.662 320 H ALA 45 H ALA 45 -3.079 12.001 -0.190 321 HA ALA 45 HA ALA 45 -4.910 12.802 -2.220 322 HB1 ALA 45 1HB ALA 45 -1.928 13.216 -2.230 323 HB2 ALA 45 2HB ALA 45 -3.159 14.179 -3.049 324 HB3 ALA 45 3HB ALA 45 -3.046 14.204 -1.289 325 H ALA 46 H ALA 46 -2.601 10.254 -1.929 326 HA ALA 46 HA ALA 46 -2.122 9.795 -4.687 327 HB1 ALA 46 1HB ALA 46 -1.296 7.592 -3.956 328 HB2 ALA 46 2HB ALA 46 -0.624 8.915 -3.003 329 HB3 ALA 46 3HB ALA 46 -1.916 7.917 -2.337 330 H GLY 47 H GLY 47 -4.679 8.880 -2.500 331 HA2 GLY 47 1HA GLY 47 -6.845 8.408 -3.559 332 HA3 GLY 47 2HA GLY 47 -5.970 7.427 -4.727 333 H LEU 48 H LEU 48 -4.525 6.915 -1.815 334 HA LEU 48 HA LEU 48 -5.218 4.257 -1.579 335 HB2 LEU 48 1HB LEU 48 -4.063 6.278 0.263 336 HB3 LEU 48 2HB LEU 48 -4.621 4.759 0.963 337 HG LEU 48 HG LEU 48 -2.456 5.146 -1.098 338 HD11 LEU 48 1HD1 LEU 48 -1.538 5.555 1.000 339 HD12 LEU 48 2HD1 LEU 48 -1.201 3.845 0.730 340 HD13 LEU 48 3HD1 LEU 48 -2.532 4.325 1.783 341 HD21 LEU 48 1HD2 LEU 48 -2.982 3.128 -1.877 342 HD22 LEU 48 2HD2 LEU 48 -4.165 2.860 -0.596 343 HD23 LEU 48 3HD2 LEU 48 -2.463 2.489 -0.317 344 H LYS 49 H LYS 49 -6.158 3.478 0.731 345 HA LYS 49 HA LYS 49 -8.448 4.895 1.668 346 HB2 LYS 49 1HB LYS 49 -8.822 2.624 -0.270 347 HB3 LYS 49 2HB LYS 49 -10.049 3.012 0.929 348 HG2 LYS 49 1HG LYS 49 -9.747 5.438 -0.085 349 HG3 LYS 49 2HG LYS 49 -9.212 4.510 -1.488 350 HD2 LYS 49 1HD LYS 49 -11.308 3.233 -1.427 351 HD3 LYS 49 2HD LYS 49 -11.842 4.187 -0.041 352 HE2 LYS 49 1HE LYS 49 -12.882 5.197 -1.875 353 HE3 LYS 49 2HE LYS 49 -11.491 6.227 -1.543 354 HZ1 LYS 49 1HZ LYS 49 -11.544 4.091 -3.604 355 HZ2 LYS 49 2HZ LYS 49 -10.297 5.201 -3.333 356 HZ3 LYS 49 3HZ LYS 49 -11.791 5.734 -3.921 357 H ASN 50 H ASN 50 -9.144 4.112 3.608 358 HA ASN 50 HA ASN 50 -7.498 2.442 5.095 359 HB2 ASN 50 1HB ASN 50 -10.436 2.958 5.601 360 HB3 ASN 50 2HB ASN 50 -9.235 2.466 6.792 361 HD21 ASN 50 1HD2 ASN 50 -7.470 3.963 7.210 362 HD22 ASN 50 2HD2 ASN 50 -7.771 5.661 7.097 363 H ASN 51 H ASN 51 -7.797 0.321 5.926 364 HA ASN 51 HA ASN 51 -8.218 -1.908 5.763 365 HB2 ASN 51 1HB ASN 51 -10.808 -0.770 4.734 366 HB3 ASN 51 2HB ASN 51 -10.540 -2.509 4.803 367 HD21 ASN 51 1HD2 ASN 51 -12.100 -0.244 6.337 368 HD22 ASN 51 2HD2 ASN 51 -11.939 -0.753 7.980 369 H ASP 52 H ASP 52 -6.806 -0.537 3.631 370 HA ASP 52 HA ASP 52 -7.619 -1.911 1.198 371 HB2 ASP 52 1HB ASP 52 -5.715 0.272 1.876 372 HB3 ASP 52 2HB ASP 52 -5.345 -0.711 0.462 373 H LEU 53 H LEU 53 -6.974 -3.916 0.817 374 HA LEU 53 HA LEU 53 -4.682 -5.015 2.221 375 HB2 LEU 53 1HB LEU 53 -6.794 -6.277 2.034 376 HB3 LEU 53 2HB LEU 53 -6.585 -6.327 0.285 377 HG LEU 53 HG LEU 53 -4.317 -7.502 0.915 378 HD11 LEU 53 1HD1 LEU 53 -4.512 -7.202 3.313 379 HD12 LEU 53 2HD1 LEU 53 -4.561 -8.916 2.905 380 HD13 LEU 53 3HD1 LEU 53 -6.049 -8.066 3.317 381 HD21 LEU 53 1HD2 LEU 53 -6.928 -8.985 1.162 382 HD22 LEU 53 2HD2 LEU 53 -5.379 -9.621 0.609 383 HD23 LEU 53 3HD2 LEU 53 -6.244 -8.434 -0.368 384 H VAL 54 H VAL 54 -2.715 -4.848 1.395 385 HA VAL 54 HA VAL 54 -2.364 -4.434 -1.471 386 HB VAL 54 HB VAL 54 -0.388 -4.300 0.809 387 HG11 VAL 54 1HG1 VAL 54 0.070 -4.635 -1.986 388 HG12 VAL 54 2HG1 VAL 54 0.607 -3.024 -1.505 389 HG13 VAL 54 3HG1 VAL 54 1.246 -4.450 -0.685 390 HG21 VAL 54 1HG2 VAL 54 -1.215 -2.003 -0.914 391 HG22 VAL 54 2HG2 VAL 54 -2.239 -2.507 0.431 392 HG23 VAL 54 3HG2 VAL 54 -0.577 -1.998 0.731 393 H VAL 55 H VAL 55 -1.937 -6.064 -2.791 394 HA VAL 55 HA VAL 55 -0.922 -8.579 -1.668 395 HB VAL 55 HB VAL 55 -1.578 -9.489 -3.966 396 HG11 VAL 55 1HG1 VAL 55 -2.853 -9.663 -1.750 397 HG12 VAL 55 2HG1 VAL 55 -3.916 -8.422 -2.417 398 HG13 VAL 55 3HG1 VAL 55 -3.746 -9.974 -3.238 399 HG21 VAL 55 1HG2 VAL 55 -1.725 -7.272 -5.058 400 HG22 VAL 55 2HG2 VAL 55 -3.195 -8.230 -5.241 401 HG23 VAL 55 3HG2 VAL 55 -3.142 -6.912 -4.071 402 H ALA 56 H ALA 56 -0.160 -6.023 -3.902 403 HA ALA 56 HA ALA 56 2.496 -7.202 -4.284 404 HB1 ALA 56 1HB ALA 56 0.688 -7.409 -6.269 405 HB2 ALA 56 2HB ALA 56 1.398 -5.841 -6.656 406 HB3 ALA 56 3HB ALA 56 2.426 -7.269 -6.537 407 H VAL 57 H VAL 57 4.156 -5.688 -4.731 408 HA VAL 57 HA VAL 57 3.440 -2.855 -4.486 409 HB VAL 57 HB VAL 57 5.546 -4.210 -2.794 410 HG11 VAL 57 1HG1 VAL 57 5.791 -1.740 -3.727 411 HG12 VAL 57 2HG1 VAL 57 4.717 -1.391 -2.372 412 HG13 VAL 57 3HG1 VAL 57 6.274 -2.170 -2.087 413 HG21 VAL 57 1HG2 VAL 57 4.102 -4.250 -1.070 414 HG22 VAL 57 2HG2 VAL 57 3.369 -2.709 -1.515 415 HG23 VAL 57 3HG2 VAL 57 2.871 -4.190 -2.331 416 H ASN 58 H ASN 58 4.378 -1.746 -6.060 417 HA ASN 58 HA ASN 58 5.828 -1.086 -7.683 418 HB2 ASN 58 1HB ASN 58 7.649 -2.390 -5.697 419 HB3 ASN 58 2HB ASN 58 8.298 -1.896 -7.258 420 HD21 ASN 58 1HD2 ASN 58 8.468 -0.946 -4.335 421 HD22 ASN 58 2HD2 ASN 58 8.286 0.766 -4.470 422 H GLY 59 H GLY 59 4.338 -3.542 -8.011 423 HA2 GLY 59 1HA GLY 59 4.153 -5.106 -9.698 424 HA3 GLY 59 2HA GLY 59 5.699 -4.549 -10.320 425 H LYS 60 H LYS 60 5.246 -5.676 -7.037 426 HA LYS 60 HA LYS 60 6.590 -8.199 -7.714 427 HB2 LYS 60 1HB LYS 60 7.373 -6.306 -5.491 428 HB3 LYS 60 2HB LYS 60 7.990 -7.944 -5.663 429 HG2 LYS 60 1HG LYS 60 8.293 -5.865 -7.809 430 HG3 LYS 60 2HG LYS 60 9.472 -6.090 -6.514 431 HD2 LYS 60 1HD LYS 60 8.612 -8.464 -8.098 432 HD3 LYS 60 2HD LYS 60 9.735 -7.317 -8.832 433 HE2 LYS 60 1HE LYS 60 11.326 -7.642 -7.092 434 HE3 LYS 60 2HE LYS 60 10.170 -8.552 -6.120 435 HZ1 LYS 60 1HZ LYS 60 11.975 -9.531 -8.010 436 HZ2 LYS 60 2HZ LYS 60 10.420 -9.795 -8.622 437 HZ3 LYS 60 3HZ LYS 60 10.843 -10.401 -7.101 438 H SER 61 H SER 61 6.315 -9.887 -6.131 439 HA SER 61 HA SER 61 3.687 -9.802 -4.932 440 HB2 SER 61 1HB SER 61 4.488 -12.226 -4.239 441 HB3 SER 61 2HB SER 61 4.013 -11.873 -5.901 442 HG SER 61 HG SER 61 6.614 -12.120 -4.824 443 H VAL 62 H VAL 62 3.531 -8.750 -3.050 444 HA VAL 62 HA VAL 62 5.618 -9.163 -1.020 445 HB VAL 62 HB VAL 62 5.030 -7.130 -0.026 446 HG11 VAL 62 1HG1 VAL 62 5.886 -5.878 -1.649 447 HG12 VAL 62 2HG1 VAL 62 5.596 -7.208 -2.771 448 HG13 VAL 62 3HG1 VAL 62 4.379 -5.950 -2.561 449 HG21 VAL 62 1HG2 VAL 62 2.936 -5.879 -0.919 450 HG22 VAL 62 2HG2 VAL 62 2.422 -7.480 -1.450 451 HG23 VAL 62 3HG2 VAL 62 2.733 -7.175 0.259 452 H GLU 63 H GLU 63 2.406 -9.955 -1.827 453 HA GLU 63 HA GLU 63 1.197 -10.181 0.683 454 HB2 GLU 63 1HB GLU 63 -0.501 -11.304 -0.385 455 HB3 GLU 63 2HB GLU 63 0.258 -10.503 -1.754 456 HG2 GLU 63 1HG GLU 63 0.858 -13.327 -0.914 457 HG3 GLU 63 2HG GLU 63 -0.330 -12.887 -2.139 458 H ALA 64 H ALA 64 3.793 -11.910 -0.632 459 HA ALA 64 HA ALA 64 3.359 -14.235 1.095 460 HB1 ALA 64 1HB ALA 64 4.362 -15.383 -0.513 461 HB2 ALA 64 2HB ALA 64 4.522 -13.898 -1.451 462 HB3 ALA 64 3HB ALA 64 5.812 -14.392 -0.355 463 H LEU 65 H LEU 65 4.953 -11.260 1.100 464 HA LEU 65 HA LEU 65 7.110 -12.123 2.853 465 HB2 LEU 65 1HB LEU 65 6.389 -9.584 1.466 466 HB3 LEU 65 2HB LEU 65 7.459 -9.523 2.865 467 HG LEU 65 HG LEU 65 8.011 -11.197 0.421 468 HD11 LEU 65 1HD1 LEU 65 8.180 -9.127 -0.526 469 HD12 LEU 65 2HD1 LEU 65 9.795 -9.277 0.166 470 HD13 LEU 65 3HD1 LEU 65 8.561 -8.334 1.003 471 HD21 LEU 65 1HD2 LEU 65 9.171 -11.976 2.371 472 HD22 LEU 65 2HD2 LEU 65 9.686 -10.338 2.776 473 HD23 LEU 65 3HD2 LEU 65 10.322 -11.132 1.334 474 H ASP 66 H ASP 66 7.428 -11.234 4.959 475 HA ASP 66 HA ASP 66 4.973 -11.014 6.448 476 HB2 ASP 66 1HB ASP 66 6.252 -11.350 8.352 477 HB3 ASP 66 2HB ASP 66 7.222 -12.168 7.130 478 H HIS 67 H HIS 67 5.228 -9.292 8.393 479 HA HIS 67 HA HIS 67 4.515 -6.839 7.425 480 HB2 HIS 67 1HB HIS 67 4.171 -7.419 9.747 481 HB3 HIS 67 2HB HIS 67 5.908 -7.474 10.033 482 HD1 HIS 67 1HD HIS 67 3.302 -5.445 10.946 483 HD2 HIS 67 2HD HIS 67 6.900 -4.629 9.035 484 HE1 HIS 67 1HE HIS 67 3.728 -2.996 11.331 485 HE2 HIS 67 2HE HIS 67 5.866 -2.507 10.094 486 H ASP 68 H ASP 68 7.773 -7.790 8.494 487 HA ASP 68 HA ASP 68 9.021 -5.339 7.905 488 HB2 ASP 68 1HB ASP 68 10.259 -8.101 7.916 489 HB3 ASP 68 2HB ASP 68 11.124 -6.573 8.054 490 H GLY 69 H GLY 69 9.088 -8.392 6.049 491 HA2 GLY 69 1HA GLY 69 10.480 -7.677 3.843 492 HA3 GLY 69 2HA GLY 69 9.060 -8.709 3.758 493 H VAL 70 H VAL 70 6.941 -7.255 4.034 494 HA VAL 70 HA VAL 70 6.677 -5.808 1.662 495 HB VAL 70 HB VAL 70 4.932 -5.486 4.104 496 HG11 VAL 70 1HG1 VAL 70 3.503 -4.357 2.810 497 HG12 VAL 70 2HG1 VAL 70 4.853 -4.174 1.689 498 HG13 VAL 70 3HG1 VAL 70 3.693 -5.485 1.468 499 HG21 VAL 70 1HG2 VAL 70 5.352 -7.776 2.340 500 HG22 VAL 70 2HG2 VAL 70 4.580 -7.691 3.923 501 HG23 VAL 70 3HG2 VAL 70 3.664 -7.284 2.472 502 H VAL 71 H VAL 71 6.581 -4.492 4.981 503 HA VAL 71 HA VAL 71 6.598 -1.812 4.379 504 HB VAL 71 HB VAL 71 7.805 -3.297 6.700 505 HG11 VAL 71 1HG1 VAL 71 7.805 -0.925 7.755 506 HG12 VAL 71 2HG1 VAL 71 9.162 -1.421 6.742 507 HG13 VAL 71 3HG1 VAL 71 7.907 -0.372 6.084 508 HG21 VAL 71 1HG2 VAL 71 5.429 -1.448 6.535 509 HG22 VAL 71 2HG2 VAL 71 5.337 -3.207 6.436 510 HG23 VAL 71 3HG2 VAL 71 5.914 -2.435 7.913 511 H GLU 72 H GLU 72 9.216 -4.087 4.169 512 HA GLU 72 HA GLU 72 11.338 -2.193 4.101 513 HB2 GLU 72 1HB GLU 72 11.521 -4.685 4.581 514 HB3 GLU 72 2HB GLU 72 11.367 -4.936 2.848 515 HG2 GLU 72 1HG GLU 72 13.439 -4.103 2.397 516 HG3 GLU 72 2HG GLU 72 13.442 -3.043 3.805 517 H MET 73 H MET 73 9.693 -4.040 1.534 518 HA MET 73 HA MET 73 10.981 -3.136 -0.685 519 HB2 MET 73 1HB MET 73 8.031 -3.627 -0.288 520 HB3 MET 73 2HB MET 73 8.749 -3.327 -1.864 521 HG2 MET 73 1HG MET 73 9.742 -5.527 -0.093 522 HG3 MET 73 2HG MET 73 8.348 -5.748 -1.148 523 HE1 MET 73 1HE MET 73 8.345 -6.045 -3.534 524 HE2 MET 73 2HE MET 73 9.756 -6.639 -4.409 525 HE3 MET 73 3HE MET 73 9.168 -7.506 -2.989 526 H ILE 74 H ILE 74 8.360 -1.466 1.029 527 HA ILE 74 HA ILE 74 8.078 0.716 -0.679 528 HB ILE 74 HB ILE 74 7.684 0.527 2.305 529 HG12 ILE 74 1HG1 ILE 74 5.523 0.815 0.248 530 HG13 ILE 74 2HG1 ILE 74 6.261 -0.760 0.514 531 HG21 ILE 74 1HG2 ILE 74 7.597 2.846 0.526 532 HG22 ILE 74 2HG2 ILE 74 6.137 2.622 1.488 533 HG23 ILE 74 3HG2 ILE 74 7.704 2.767 2.284 534 HD11 ILE 74 1HD1 ILE 74 5.434 -0.924 2.666 535 HD12 ILE 74 2HD1 ILE 74 5.186 0.816 2.810 536 HD13 ILE 74 3HD1 ILE 74 4.116 -0.146 1.791 537 H ARG 75 H ARG 75 10.175 0.347 2.169 538 HA ARG 75 HA ARG 75 11.313 2.904 2.107 539 HB2 ARG 75 1HB ARG 75 12.185 0.263 3.224 540 HB3 ARG 75 2HB ARG 75 13.291 1.631 3.251 541 HG2 ARG 75 1HG ARG 75 11.692 2.927 4.540 542 HG3 ARG 75 2HG ARG 75 10.540 1.590 4.476 543 HD2 ARG 75 1HD ARG 75 11.525 1.328 6.560 544 HD3 ARG 75 2HD ARG 75 12.437 0.207 5.549 545 HE ARG 75 HE ARG 75 14.306 1.510 5.836 546 HH11 ARG 75 2HH1 ARG 75 11.496 3.243 6.939 547 HH12 ARG 75 1HH1 ARG 75 12.409 4.522 7.667 548 HH21 ARG 75 2HH2 ARG 75 15.520 3.188 6.792 549 HH22 ARG 75 1HH2 ARG 75 14.698 4.490 7.583 550 H LYS 76 H LYS 76 12.286 -0.106 0.525 551 HA LYS 76 HA LYS 76 14.718 0.814 -0.544 552 HB2 LYS 76 1HB LYS 76 12.818 -1.350 -1.448 553 HB3 LYS 76 2HB LYS 76 14.370 -1.056 -2.221 554 HG2 LYS 76 1HG LYS 76 15.573 -1.782 -0.384 555 HG3 LYS 76 2HG LYS 76 14.224 -1.526 0.726 556 HD2 LYS 76 1HD LYS 76 14.365 -3.856 0.477 557 HD3 LYS 76 2HD LYS 76 13.029 -3.371 -0.570 558 HE2 LYS 76 1HE LYS 76 14.348 -4.930 -1.789 559 HE3 LYS 76 2HE LYS 76 14.660 -3.336 -2.474 560 HZ1 LYS 76 1HZ LYS 76 16.425 -4.340 -0.355 561 HZ2 LYS 76 2HZ LYS 76 16.770 -3.284 -1.629 562 HZ3 LYS 76 3HZ LYS 76 16.615 -4.942 -1.924 563 H GLY 77 H GLY 77 11.449 1.425 -1.433 564 HA2 GLY 77 1HA GLY 77 11.701 1.975 -4.163 565 HA3 GLY 77 2HA GLY 77 10.519 2.710 -3.090 566 H GLY 78 H GLY 78 12.880 3.731 -1.438 567 HA2 GLY 78 1HA GLY 78 14.463 5.462 -1.561 568 HA3 GLY 78 2HA GLY 78 14.021 5.717 -3.243 569 H ASP 79 H ASP 79 12.156 6.954 -3.734 570 HA ASP 79 HA ASP 79 11.314 8.707 -1.521 571 HB2 ASP 79 1HB ASP 79 11.617 9.290 -4.471 572 HB3 ASP 79 2HB ASP 79 10.839 10.389 -3.336 573 H GLN 80 H GLN 80 10.139 7.576 -4.697 574 HA GLN 80 HA GLN 80 7.418 7.553 -3.581 575 HB2 GLN 80 1HB GLN 80 6.583 7.810 -5.804 576 HB3 GLN 80 2HB GLN 80 7.863 8.996 -5.585 577 HG2 GLN 80 1HG GLN 80 9.300 7.914 -7.013 578 HG3 GLN 80 2HG GLN 80 8.516 6.352 -6.789 579 HE21 GLN 80 1HE2 GLN 80 8.158 9.525 -8.261 580 HE22 GLN 80 2HE2 GLN 80 7.098 9.022 -9.529 581 H THR 81 H THR 81 5.975 5.825 -4.358 582 HA THR 81 HA THR 81 7.184 3.409 -5.376 583 HB THR 81 HB THR 81 7.783 3.145 -3.050 584 HG1 THR 81 1HG THR 81 6.379 1.241 -2.604 585 HG21 THR 81 1HG2 THR 81 4.850 3.518 -2.429 586 HG22 THR 81 2HG2 THR 81 6.125 4.688 -2.089 587 HG23 THR 81 3HG2 THR 81 6.118 3.128 -1.269 588 H THR 82 H THR 82 5.618 1.744 -5.841 589 HA THR 82 HA THR 82 2.913 2.850 -6.181 590 HB THR 82 HB THR 82 3.949 0.453 -7.670 591 HG1 THR 82 1HG THR 82 4.113 3.070 -8.727 592 HG21 THR 82 1HG2 THR 82 1.955 2.581 -8.448 593 HG22 THR 82 2HG2 THR 82 1.524 1.038 -7.711 594 HG23 THR 82 3HG2 THR 82 2.291 1.074 -9.298 595 H LEU 83 H LEU 83 1.159 1.812 -5.386 596 HA LEU 83 HA LEU 83 1.631 -0.725 -3.961 597 HB2 LEU 83 1HB LEU 83 -0.575 1.094 -3.148 598 HB3 LEU 83 2HB LEU 83 0.362 -0.043 -2.181 599 HG LEU 83 HG LEU 83 1.116 2.740 -3.035 600 HD11 LEU 83 1HD1 LEU 83 1.671 2.469 -0.392 601 HD12 LEU 83 2HD1 LEU 83 0.268 1.414 -0.562 602 HD13 LEU 83 3HD1 LEU 83 0.161 3.108 -1.041 603 HD21 LEU 83 1HD2 LEU 83 3.281 2.258 -2.973 604 HD22 LEU 83 2HD2 LEU 83 2.864 0.547 -2.883 605 HD23 LEU 83 3HD2 LEU 83 3.104 1.476 -1.402 606 H LEU 84 H LEU 84 0.205 -2.370 -4.260 607 HA LEU 84 HA LEU 84 -1.995 -1.878 -6.158 608 HB2 LEU 84 1HB LEU 84 -0.134 -3.277 -7.018 609 HB3 LEU 84 2HB LEU 84 -0.464 -4.440 -5.736 610 HG LEU 84 HG LEU 84 -2.623 -4.945 -6.696 611 HD11 LEU 84 1HD1 LEU 84 -2.603 -3.738 -9.204 612 HD12 LEU 84 2HD1 LEU 84 -2.194 -2.450 -8.072 613 HD13 LEU 84 3HD1 LEU 84 -3.679 -3.375 -7.855 614 HD21 LEU 84 1HD2 LEU 84 -0.357 -4.979 -8.681 615 HD22 LEU 84 2HD2 LEU 84 -1.873 -5.853 -8.897 616 HD23 LEU 84 3HD2 LEU 84 -0.811 -6.250 -7.546 617 H VAL 85 H VAL 85 -3.718 -1.630 -4.827 618 HA VAL 85 HA VAL 85 -4.203 -3.712 -2.804 619 HB VAL 85 HB VAL 85 -5.538 -2.213 -1.596 620 HG11 VAL 85 1HG1 VAL 85 -3.052 -1.711 -1.665 621 HG12 VAL 85 2HG1 VAL 85 -3.456 -0.365 -2.732 622 HG13 VAL 85 3HG1 VAL 85 -4.100 -0.415 -1.091 623 HG21 VAL 85 1HG2 VAL 85 -6.938 -1.367 -3.347 624 HG22 VAL 85 2HG2 VAL 85 -6.226 0.007 -2.501 625 HG23 VAL 85 3HG2 VAL 85 -5.589 -0.489 -4.068 626 H LEU 86 H LEU 86 -6.249 -4.694 -2.654 627 HA LEU 86 HA LEU 86 -7.755 -4.664 -5.176 628 HB2 LEU 86 1HB LEU 86 -7.137 -6.734 -3.152 629 HB3 LEU 86 2HB LEU 86 -8.717 -6.824 -3.927 630 HG LEU 86 HG LEU 86 -6.189 -6.676 -5.540 631 HD11 LEU 86 1HD1 LEU 86 -7.438 -9.067 -4.227 632 HD12 LEU 86 2HD1 LEU 86 -5.747 -8.567 -4.239 633 HD13 LEU 86 3HD1 LEU 86 -6.487 -9.207 -5.706 634 HD21 LEU 86 1HD2 LEU 86 -7.612 -7.830 -7.196 635 HD22 LEU 86 2HD2 LEU 86 -8.242 -6.248 -6.736 636 HD23 LEU 86 3HD2 LEU 86 -8.970 -7.714 -6.076 637 H ASP 87 H ASP 87 -10.117 -5.025 -5.002 638 HA ASP 87 HA ASP 87 -11.204 -3.425 -2.793 639 HB2 ASP 87 1HB ASP 87 -11.562 -2.731 -5.216 640 HB3 ASP 87 2HB ASP 87 -12.616 -4.135 -5.363 641 H LYS 88 H LYS 88 -12.270 -6.155 -4.831 642 HA LYS 88 HA LYS 88 -14.288 -7.067 -3.150 643 HB2 LYS 88 1HB LYS 88 -12.643 -8.301 -5.310 644 HB3 LYS 88 2HB LYS 88 -13.614 -9.365 -4.300 645 HG2 LYS 88 1HG LYS 88 -14.941 -8.870 -6.171 646 HG3 LYS 88 2HG LYS 88 -15.584 -7.880 -4.858 647 HD2 LYS 88 1HD LYS 88 -15.487 -6.331 -6.551 648 HD3 LYS 88 2HD LYS 88 -13.903 -6.098 -5.807 649 HE2 LYS 88 1HE LYS 88 -13.456 -6.206 -8.099 650 HE3 LYS 88 2HE LYS 88 -13.059 -7.817 -7.502 651 HZ1 LYS 88 1HZ LYS 88 -15.795 -7.497 -8.368 652 HZ2 LYS 88 2HZ LYS 88 -14.698 -8.744 -8.686 653 HZ3 LYS 88 3HZ LYS 88 -14.652 -7.323 -9.603 654 H GLU 89 H GLU 89 -10.861 -7.971 -3.259 655 HA GLU 89 HA GLU 89 -11.195 -9.701 -0.940 656 HB2 GLU 89 1HB GLU 89 -8.721 -9.063 -2.558 657 HB3 GLU 89 2HB GLU 89 -8.834 -10.279 -1.294 658 HG2 GLU 89 1HG GLU 89 -10.731 -11.264 -2.755 659 HG3 GLU 89 2HG GLU 89 -10.010 -10.292 -4.037 660 H ALA 90 H ALA 90 -11.577 -6.808 -0.703 661 HA ALA 90 HA ALA 90 -9.276 -5.965 0.891 662 HB1 ALA 90 1HB ALA 90 -10.489 -4.492 -0.843 663 HB2 ALA 90 2HB ALA 90 -11.713 -4.293 0.412 664 HB3 ALA 90 3HB ALA 90 -10.051 -3.783 0.712 665 H GLU 91 H GLU 91 -12.808 -6.284 1.221 666 HA GLU 91 HA GLU 91 -12.509 -6.173 4.135 667 HB2 GLU 91 1HB GLU 91 -14.175 -4.665 3.327 668 HB3 GLU 91 2HB GLU 91 -14.908 -5.911 2.327 669 HG2 GLU 91 1HG GLU 91 -16.363 -5.750 4.110 670 HG3 GLU 91 2HG GLU 91 -15.356 -7.130 4.546 671 H SER 92 H SER 92 -12.358 -8.023 5.198 672 HA SER 92 HA SER 92 -13.517 -10.446 4.001 673 HB2 SER 92 1HB SER 92 -11.008 -10.283 4.583 674 HB3 SER 92 2HB SER 92 -11.526 -10.420 6.263 675 HG SER 92 HG SER 92 -11.007 -12.413 4.873 676 H ILE 93 H ILE 93 -15.573 -10.543 4.741 677 HA ILE 93 HA ILE 93 -16.236 -9.905 7.473 678 HB ILE 93 HB ILE 93 -17.953 -11.153 5.325 679 HG12 ILE 93 1HG1 ILE 93 -17.245 -8.971 4.604 680 HG13 ILE 93 2HG1 ILE 93 -18.910 -8.839 5.161 681 HG21 ILE 93 1HG2 ILE 93 -19.441 -11.479 6.940 682 HG22 ILE 93 2HG2 ILE 93 -18.387 -10.707 8.125 683 HG23 ILE 93 3HG2 ILE 93 -19.508 -9.732 7.174 684 HD11 ILE 93 1HD1 ILE 93 -17.684 -8.204 7.428 685 HD12 ILE 93 2HD1 ILE 93 -16.432 -7.698 6.293 686 HD13 ILE 93 3HD1 ILE 93 -18.053 -7.015 6.180 687 H TYR 94 H TYR 94 -16.743 -11.297 9.108 688 HA TYR 94 HA TYR 94 -15.845 -14.046 8.770 689 HB2 TYR 94 1HB TYR 94 -16.743 -12.695 11.317 690 HB3 TYR 94 2HB TYR 94 -15.793 -14.169 11.165 691 HD1 TYR 94 1HD TYR 94 -15.724 -10.505 10.895 692 HD2 TYR 94 2HD TYR 94 -13.425 -14.081 10.726 693 HE1 TYR 94 1HE TYR 94 -13.658 -9.175 11.015 694 HE2 TYR 94 2HE TYR 94 -11.353 -12.762 10.847 695 HH TYR 94 HH TYR 94 -11.431 -9.253 11.282 696 H SER 95 H SER 95 -17.294 -15.483 8.110 697 HA SER 95 HA SER 95 -20.045 -15.281 9.150 698 HB2 SER 95 1HB SER 95 -19.745 -14.963 6.655 699 HB3 SER 95 2HB SER 95 -19.222 -16.645 6.580 700 HG SER 95 HG SER 95 -21.240 -17.274 7.328 701 H LEU 96 H LEU 96 -20.019 -16.622 10.875 702 HA LEU 96 HA LEU 96 -18.914 -19.321 10.524 703 HB2 LEU 96 1HB LEU 96 -18.012 -18.108 12.409 704 HB3 LEU 96 2HB LEU 96 -19.636 -17.784 13.014 705 HG LEU 96 HG LEU 96 -19.835 -20.354 13.194 706 HD11 LEU 96 1HD1 LEU 96 -17.672 -21.463 13.626 707 HD12 LEU 96 2HD1 LEU 96 -16.844 -20.020 13.043 708 HD13 LEU 96 3HD1 LEU 96 -17.862 -20.954 11.948 709 HD21 LEU 96 1HD2 LEU 96 -18.466 -18.412 14.945 710 HD22 LEU 96 2HD2 LEU 96 -18.258 -20.115 15.355 711 HD23 LEU 96 3HD2 LEU 96 -19.878 -19.423 15.252 712 H SER 97 H SER 97 -20.380 -20.744 9.861 713 HA SER 97 HA SER 97 -23.076 -20.624 11.048 714 HB2 SER 97 1HB SER 97 -23.845 -21.770 8.937 715 HB3 SER 97 2HB SER 97 -23.270 -20.119 8.708 716 HG SER 97 HG SER 97 -21.217 -21.088 8.114 717 H GLY 98 H GLY 98 -24.199 -22.863 10.814 718 HA2 GLY 98 1HA GLY 98 -24.104 -25.201 11.026 719 HA3 GLY 98 2HA GLY 98 -22.353 -25.097 11.138 720 HA PRO 99 HA PRO 99 -24.269 -24.100 15.500 721 HB2 PRO 99 1HB PRO 99 -26.772 -25.083 15.874 722 HB3 PRO 99 2HB PRO 99 -26.461 -23.444 15.290 723 HG2 PRO 99 1HG PRO 99 -27.184 -25.902 13.742 724 HG3 PRO 99 2HG PRO 99 -27.792 -24.246 13.560 725 HD2 PRO 99 1HD PRO 99 -25.897 -25.289 11.932 726 HD3 PRO 99 2HD PRO 99 -25.946 -23.566 12.358 727 H SER 100 H SER 100 -25.173 -25.670 17.313 728 HA SER 100 HA SER 100 -23.530 -27.786 17.624 729 HB2 SER 100 1HB SER 100 -25.151 -28.732 19.217 730 HB3 SER 100 2HB SER 100 -25.036 -26.981 19.392 731 HG SER 100 HG SER 100 -27.157 -28.539 18.599 732 H SER 101 H SER 101 -23.246 -29.753 16.789 733 HA SER 101 HA SER 101 -25.456 -31.076 15.403 734 HB2 SER 101 1HB SER 101 -24.036 -29.735 13.758 735 HB3 SER 101 2HB SER 101 -22.734 -30.872 14.112 736 HG SER 101 HG SER 101 -24.060 -31.425 12.264 737 H GLY 102 H GLY 102 -24.676 -33.349 14.663 738 HA2 GLY 102 1HA GLY 102 -23.322 -35.258 15.104 739 HA3 GLY 102 2HA GLY 102 -22.732 -34.467 16.558 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -5.048 2.580 -22.017 2 HA2 GLY 1 1HA GLY 1 -4.885 -0.203 -21.876 3 HA3 GLY 1 2HA GLY 1 -4.051 0.909 -20.801 4 H SER 2 H SER 2 -5.583 -1.734 -20.489 5 HA SER 2 HA SER 2 -7.916 -1.573 -19.128 6 HB2 SER 2 1HB SER 2 -5.505 -3.307 -18.734 7 HB3 SER 2 2HB SER 2 -6.848 -3.429 -17.597 8 HG SER 2 HG SER 2 -8.127 -4.191 -19.155 9 H SER 3 H SER 3 -8.595 -0.298 -17.551 10 HA SER 3 HA SER 3 -6.932 1.286 -15.944 11 HB2 SER 3 1HB SER 3 -9.395 1.657 -16.483 12 HB3 SER 3 2HB SER 3 -9.751 0.482 -15.217 13 HG SER 3 HG SER 3 -8.924 3.091 -15.013 14 H GLY 4 H GLY 4 -8.965 -1.469 -14.918 15 HA2 GLY 4 1HA GLY 4 -7.077 -2.887 -13.507 16 HA3 GLY 4 2HA GLY 4 -7.658 -1.668 -12.382 17 H SER 5 H SER 5 -8.310 -4.658 -13.927 18 HA SER 5 HA SER 5 -11.102 -4.734 -13.176 19 HB2 SER 5 1HB SER 5 -11.102 -6.971 -14.133 20 HB3 SER 5 2HB SER 5 -10.270 -5.867 -15.228 21 HG SER 5 HG SER 5 -8.332 -6.717 -14.615 22 H SER 6 H SER 6 -8.085 -6.280 -12.136 23 HA SER 6 HA SER 6 -9.429 -7.001 -9.615 24 HB2 SER 6 1HB SER 6 -7.949 -9.006 -9.518 25 HB3 SER 6 2HB SER 6 -9.073 -9.042 -10.876 26 HG SER 6 HG SER 6 -6.368 -9.057 -10.887 27 H GLY 7 H GLY 7 -8.595 -4.901 -8.911 28 HA2 GLY 7 1HA GLY 7 -7.024 -4.298 -7.156 29 HA3 GLY 7 2HA GLY 7 -5.776 -5.136 -8.066 30 H ARG 8 H ARG 8 -6.933 -2.162 -7.262 31 HA ARG 8 HA ARG 8 -6.376 -0.826 -9.768 32 HB2 ARG 8 1HB ARG 8 -6.944 1.219 -8.587 33 HB3 ARG 8 2HB ARG 8 -8.158 -0.013 -8.268 34 HG2 ARG 8 1HG ARG 8 -7.268 -0.418 -6.085 35 HG3 ARG 8 2HG ARG 8 -5.887 0.633 -6.403 36 HD2 ARG 8 1HD ARG 8 -7.114 2.546 -6.164 37 HD3 ARG 8 2HD ARG 8 -8.610 1.782 -6.697 38 HE ARG 8 HE ARG 8 -7.928 0.633 -4.264 39 HH11 ARG 8 2HH1 ARG 8 -8.804 3.769 -5.497 40 HH12 ARG 8 1HH1 ARG 8 -9.531 4.293 -4.014 41 HH21 ARG 8 2HH2 ARG 8 -8.882 1.311 -2.307 42 HH22 ARG 8 1HH2 ARG 8 -9.574 2.894 -2.200 43 H VAL 9 H VAL 9 -4.909 1.178 -9.626 44 HA VAL 9 HA VAL 9 -2.382 0.353 -8.357 45 HB VAL 9 HB VAL 9 -2.821 2.092 -10.788 46 HG11 VAL 9 1HG1 VAL 9 -0.699 2.172 -9.007 47 HG12 VAL 9 2HG1 VAL 9 -0.117 1.158 -10.329 48 HG13 VAL 9 3HG1 VAL 9 -0.708 2.787 -10.660 49 HG21 VAL 9 1HG2 VAL 9 -1.251 -0.031 -11.526 50 HG22 VAL 9 2HG2 VAL 9 -2.389 -0.769 -10.399 51 HG23 VAL 9 3HG2 VAL 9 -2.986 0.106 -11.808 52 H VAL 10 H VAL 10 -1.316 1.716 -7.021 53 HA VAL 10 HA VAL 10 -2.434 4.418 -6.652 54 HB VAL 10 HB VAL 10 -1.334 2.731 -4.407 55 HG11 VAL 10 1HG1 VAL 10 -2.078 5.477 -4.671 56 HG12 VAL 10 2HG1 VAL 10 -3.169 4.685 -3.533 57 HG13 VAL 10 3HG1 VAL 10 -1.426 4.633 -3.267 58 HG21 VAL 10 1HG2 VAL 10 -3.573 2.024 -5.671 59 HG22 VAL 10 2HG2 VAL 10 -3.380 1.869 -3.925 60 HG23 VAL 10 3HG2 VAL 10 -4.243 3.252 -4.598 61 H VAL 11 H VAL 11 -0.985 6.057 -6.112 62 HA VAL 11 HA VAL 11 1.871 5.357 -6.168 63 HB VAL 11 HB VAL 11 0.593 7.601 -7.738 64 HG11 VAL 11 1HG1 VAL 11 2.632 8.485 -8.144 65 HG12 VAL 11 2HG1 VAL 11 3.027 7.726 -6.601 66 HG13 VAL 11 3HG1 VAL 11 3.438 6.917 -8.115 67 HG21 VAL 11 1HG2 VAL 11 1.602 6.339 -9.678 68 HG22 VAL 11 2HG2 VAL 11 1.861 4.997 -8.563 69 HG23 VAL 11 3HG2 VAL 11 0.224 5.565 -8.895 70 H ILE 12 H ILE 12 2.930 6.191 -4.500 71 HA ILE 12 HA ILE 12 2.012 8.733 -3.350 72 HB ILE 12 HB ILE 12 2.890 6.411 -1.641 73 HG12 ILE 12 1HG1 ILE 12 0.049 7.371 -1.897 74 HG13 ILE 12 2HG1 ILE 12 0.682 6.108 -2.947 75 HG21 ILE 12 1HG2 ILE 12 2.541 7.742 0.164 76 HG22 ILE 12 2HG2 ILE 12 2.941 8.997 -1.008 77 HG23 ILE 12 3HG2 ILE 12 1.254 8.658 -0.621 78 HD11 ILE 12 1HD1 ILE 12 -0.527 5.682 -0.565 79 HD12 ILE 12 2HD1 ILE 12 0.601 4.564 -1.334 80 HD13 ILE 12 3HD1 ILE 12 1.173 5.680 -0.094 81 H LYS 13 H LYS 13 3.609 10.030 -2.459 82 HA LYS 13 HA LYS 13 6.380 9.091 -2.804 83 HB2 LYS 13 1HB LYS 13 5.721 11.977 -3.184 84 HB3 LYS 13 2HB LYS 13 7.026 11.026 -3.881 85 HG2 LYS 13 1HG LYS 13 5.588 10.048 -5.480 86 HG3 LYS 13 2HG LYS 13 4.148 10.648 -4.654 87 HD2 LYS 13 1HD LYS 13 4.448 12.071 -6.507 88 HD3 LYS 13 2HD LYS 13 5.041 12.983 -5.117 89 HE2 LYS 13 1HE LYS 13 6.888 11.330 -6.807 90 HE3 LYS 13 2HE LYS 13 6.451 12.974 -7.269 91 HZ1 LYS 13 1HZ LYS 13 7.145 13.229 -4.665 92 HZ2 LYS 13 2HZ LYS 13 8.149 13.576 -5.982 93 HZ3 LYS 13 3HZ LYS 13 8.246 12.069 -5.218 94 H LYS 14 H LYS 14 7.409 9.048 -0.929 95 HA LYS 14 HA LYS 14 6.499 9.936 1.498 96 HB2 LYS 14 1HB LYS 14 8.474 8.421 1.044 97 HB3 LYS 14 2HB LYS 14 9.423 9.873 0.751 98 HG2 LYS 14 1HG LYS 14 8.762 10.620 3.070 99 HG3 LYS 14 2HG LYS 14 8.134 8.989 3.317 100 HD2 LYS 14 1HD LYS 14 10.963 9.568 2.454 101 HD3 LYS 14 2HD LYS 14 10.481 9.380 4.141 102 HE2 LYS 14 1HE LYS 14 9.802 7.276 2.123 103 HE3 LYS 14 2HE LYS 14 11.410 7.335 2.842 104 HZ1 LYS 14 1HZ LYS 14 8.830 7.022 4.274 105 HZ2 LYS 14 2HZ LYS 14 10.318 7.254 5.045 106 HZ3 LYS 14 3HZ LYS 14 10.054 5.864 4.116 107 H GLY 15 H GLY 15 6.367 11.830 2.545 108 HA2 GLY 15 1HA GLY 15 7.474 14.196 1.183 109 HA3 GLY 15 2HA GLY 15 6.090 14.206 2.266 110 H SER 16 H SER 16 6.410 14.763 4.326 111 HA SER 16 HA SER 16 9.197 14.972 5.254 112 HB2 SER 16 1HB SER 16 7.798 17.093 5.019 113 HB3 SER 16 2HB SER 16 6.845 16.496 6.378 114 HG SER 16 HG SER 16 8.716 16.522 7.641 115 H ASN 17 H ASN 17 5.945 13.954 6.130 116 HA ASN 17 HA ASN 17 6.983 12.770 8.609 117 HB2 ASN 17 1HB ASN 17 4.837 14.304 8.409 118 HB3 ASN 17 2HB ASN 17 4.070 12.789 7.943 119 HD21 ASN 17 1HD2 ASN 17 5.514 14.603 10.495 120 HD22 ASN 17 2HD2 ASN 17 5.110 13.521 11.780 121 H GLY 18 H GLY 18 6.963 11.822 5.620 122 HA2 GLY 18 1HA GLY 18 7.419 9.484 5.159 123 HA3 GLY 18 2HA GLY 18 6.140 9.069 6.291 124 H TYR 19 H TYR 19 5.058 7.794 4.774 125 HA TYR 19 HA TYR 19 4.169 8.990 2.288 126 HB2 TYR 19 1HB TYR 19 3.709 6.272 3.525 127 HB3 TYR 19 2HB TYR 19 3.024 6.764 1.980 128 HD1 TYR 19 1HD TYR 19 6.160 6.013 3.769 129 HD2 TYR 19 2HD TYR 19 4.363 6.833 0.001 130 HE1 TYR 19 1HE TYR 19 8.225 5.304 2.638 131 HE2 TYR 19 2HE TYR 19 6.423 6.125 -1.142 132 HH TYR 19 HH TYR 19 8.783 5.868 -0.691 133 H GLY 20 H GLY 20 2.667 7.723 5.256 134 HA2 GLY 20 1HA GLY 20 0.892 9.200 6.197 135 HA3 GLY 20 2HA GLY 20 0.252 9.280 4.562 136 H PHE 21 H PHE 21 0.982 6.351 4.245 137 HA PHE 21 HA PHE 21 -1.413 5.311 5.597 138 HB2 PHE 21 1HB PHE 21 -1.638 3.729 3.825 139 HB3 PHE 21 2HB PHE 21 -1.314 5.286 3.070 140 HD1 PHE 21 1HD PHE 21 1.003 5.775 2.242 141 HD2 PHE 21 2HD PHE 21 -0.226 1.891 3.476 142 HE1 PHE 21 1HE PHE 21 2.902 4.791 1.025 143 HE2 PHE 21 2HE PHE 21 1.671 0.901 2.261 144 HZ PHE 21 HZ PHE 21 3.239 2.351 1.034 145 H TYR 22 H TYR 22 -1.368 3.153 6.443 146 HA TYR 22 HA TYR 22 1.337 2.266 7.207 147 HB2 TYR 22 1HB TYR 22 -1.216 2.178 8.825 148 HB3 TYR 22 2HB TYR 22 0.292 1.410 9.309 149 HD1 TYR 22 1HD TYR 22 -1.333 4.666 8.662 150 HD2 TYR 22 2HD TYR 22 2.047 2.668 10.300 151 HE1 TYR 22 1HE TYR 22 -0.613 6.766 9.721 152 HE2 TYR 22 2HE TYR 22 2.776 4.762 11.364 153 HH TYR 22 HH TYR 22 1.221 7.809 10.681 154 H LEU 23 H LEU 23 1.210 -0.108 8.057 155 HA LEU 23 HA LEU 23 -0.604 -1.711 6.407 156 HB2 LEU 23 1HB LEU 23 2.395 -1.980 6.492 157 HB3 LEU 23 2HB LEU 23 1.315 -3.202 5.824 158 HG LEU 23 HG LEU 23 1.512 -0.382 4.776 159 HD11 LEU 23 1HD1 LEU 23 3.573 -1.116 4.159 160 HD12 LEU 23 2HD1 LEU 23 2.628 -1.804 2.838 161 HD13 LEU 23 3HD1 LEU 23 3.106 -2.817 4.200 162 HD21 LEU 23 1HD2 LEU 23 -0.524 -2.070 4.441 163 HD22 LEU 23 2HD2 LEU 23 0.537 -2.669 3.166 164 HD23 LEU 23 3HD2 LEU 23 0.027 -0.980 3.169 165 H ARG 24 H ARG 24 -1.163 -3.687 7.265 166 HA ARG 24 HA ARG 24 0.134 -4.571 9.726 167 HB2 ARG 24 1HB ARG 24 -1.862 -4.649 11.012 168 HB3 ARG 24 2HB ARG 24 -1.783 -3.037 10.316 169 HG2 ARG 24 1HG ARG 24 -3.556 -3.402 8.914 170 HG3 ARG 24 2HG ARG 24 -3.300 -5.147 8.870 171 HD2 ARG 24 1HD ARG 24 -4.054 -5.265 11.229 172 HD3 ARG 24 2HD ARG 24 -4.412 -3.540 11.166 173 HE ARG 24 HE ARG 24 -5.851 -4.460 9.113 174 HH11 ARG 24 2HH1 ARG 24 -5.532 -5.600 12.386 175 HH12 ARG 24 1HH1 ARG 24 -7.137 -6.248 12.456 176 HH21 ARG 24 2HH2 ARG 24 -7.967 -5.308 9.191 177 HH22 ARG 24 1HH2 ARG 24 -8.521 -6.082 10.637 178 H ALA 25 H ALA 25 -0.236 -6.768 10.237 179 HA ALA 25 HA ALA 25 -0.610 -8.443 7.961 180 HB1 ALA 25 1HB ALA 25 -0.057 -8.924 10.859 181 HB2 ALA 25 2HB ALA 25 -0.490 -10.269 9.804 182 HB3 ALA 25 3HB ALA 25 0.938 -9.296 9.451 183 H GLY 26 H GLY 26 -2.602 -8.629 7.116 184 HA2 GLY 26 1HA GLY 26 -4.975 -8.582 8.735 185 HA3 GLY 26 2HA GLY 26 -4.899 -8.865 7.003 186 HA PRO 27 HA PRO 27 -6.090 -12.832 9.103 187 HB2 PRO 27 1HB PRO 27 -8.168 -13.368 7.441 188 HB3 PRO 27 2HB PRO 27 -8.331 -12.372 8.892 189 HG2 PRO 27 1HG PRO 27 -8.022 -11.525 6.038 190 HG3 PRO 27 2HG PRO 27 -9.103 -10.878 7.286 191 HD2 PRO 27 1HD PRO 27 -6.783 -9.664 6.597 192 HD3 PRO 27 2HD PRO 27 -7.439 -9.605 8.245 193 H GLU 28 H GLU 28 -6.831 -14.919 7.655 194 HA GLU 28 HA GLU 28 -4.696 -16.040 6.526 195 HB2 GLU 28 1HB GLU 28 -6.155 -17.460 5.178 196 HB3 GLU 28 2HB GLU 28 -6.841 -17.200 6.776 197 HG2 GLU 28 1HG GLU 28 -8.137 -15.272 5.610 198 HG3 GLU 28 2HG GLU 28 -7.747 -16.154 4.135 199 H GLN 29 H GLN 29 -6.875 -13.830 4.833 200 HA GLN 29 HA GLN 29 -6.088 -13.969 2.255 201 HB2 GLN 29 1HB GLN 29 -6.818 -11.658 3.995 202 HB3 GLN 29 2HB GLN 29 -6.208 -11.324 2.380 203 HG2 GLN 29 1HG GLN 29 -8.506 -11.376 2.098 204 HG3 GLN 29 2HG GLN 29 -7.989 -12.978 1.575 205 HE21 GLN 29 1HE2 GLN 29 -9.022 -14.649 2.401 206 HE22 GLN 29 2HE2 GLN 29 -9.992 -14.637 3.831 207 H LYS 30 H LYS 30 -4.434 -13.198 0.958 208 HA LYS 30 HA LYS 30 -1.881 -12.872 2.310 209 HB2 LYS 30 1HB LYS 30 -2.516 -13.082 -0.640 210 HB3 LYS 30 2HB LYS 30 -0.906 -13.114 0.069 211 HG2 LYS 30 1HG LYS 30 -3.037 -15.136 0.713 212 HG3 LYS 30 2HG LYS 30 -1.846 -15.344 -0.573 213 HD2 LYS 30 1HD LYS 30 -0.057 -15.419 0.948 214 HD3 LYS 30 2HD LYS 30 -1.032 -14.745 2.257 215 HE2 LYS 30 1HE LYS 30 -0.813 -17.043 2.738 216 HE3 LYS 30 2HE LYS 30 -2.444 -16.842 2.098 217 HZ1 LYS 30 1HZ LYS 30 -0.150 -17.674 0.416 218 HZ2 LYS 30 2HZ LYS 30 -1.796 -17.745 0.034 219 HZ3 LYS 30 3HZ LYS 30 -1.156 -18.781 1.208 220 H GLY 31 H GLY 31 -0.938 -10.970 2.654 221 HA2 GLY 31 1HA GLY 31 -0.217 -8.876 1.457 222 HA3 GLY 31 2HA GLY 31 -1.927 -8.645 1.123 223 H GLN 32 H GLN 32 -0.792 -6.583 2.283 224 HA GLN 32 HA GLN 32 -1.382 -6.821 5.157 225 HB2 GLN 32 1HB GLN 32 0.310 -4.770 3.720 226 HB3 GLN 32 2HB GLN 32 0.008 -4.808 5.452 227 HG2 GLN 32 1HG GLN 32 1.389 -6.988 3.904 228 HG3 GLN 32 2HG GLN 32 2.209 -5.718 4.812 229 HE21 GLN 32 1HE2 GLN 32 1.187 -8.831 4.929 230 HE22 GLN 32 2HE2 GLN 32 1.099 -9.047 6.641 231 H ILE 33 H ILE 33 -2.794 -5.412 6.130 232 HA ILE 33 HA ILE 33 -4.593 -3.999 4.323 233 HB ILE 33 HB ILE 33 -4.860 -4.461 7.296 234 HG12 ILE 33 1HG1 ILE 33 -6.174 -5.937 5.005 235 HG13 ILE 33 2HG1 ILE 33 -4.824 -6.556 5.950 236 HG21 ILE 33 1HG2 ILE 33 -6.129 -2.567 5.926 237 HG22 ILE 33 2HG2 ILE 33 -7.185 -3.925 5.541 238 HG23 ILE 33 3HG2 ILE 33 -6.906 -3.475 7.223 239 HD11 ILE 33 1HD1 ILE 33 -7.635 -6.629 6.512 240 HD12 ILE 33 2HD1 ILE 33 -6.304 -7.458 7.320 241 HD13 ILE 33 3HD1 ILE 33 -6.761 -5.829 7.818 242 H ILE 34 H ILE 34 -4.919 -1.827 4.309 243 HA ILE 34 HA ILE 34 -2.938 -0.208 5.710 244 HB ILE 34 HB ILE 34 -4.899 0.528 3.535 245 HG12 ILE 34 1HG1 ILE 34 -1.890 0.364 3.376 246 HG13 ILE 34 2HG1 ILE 34 -2.935 -0.995 2.978 247 HG21 ILE 34 1HG2 ILE 34 -2.915 2.149 5.081 248 HG22 ILE 34 2HG2 ILE 34 -3.339 2.585 3.427 249 HG23 ILE 34 3HG2 ILE 34 -4.587 2.527 4.671 250 HD11 ILE 34 1HD1 ILE 34 -2.089 0.509 1.084 251 HD12 ILE 34 2HD1 ILE 34 -3.795 0.061 1.101 252 HD13 ILE 34 3HD1 ILE 34 -3.298 1.660 1.653 253 H LYS 35 H LYS 35 -3.481 1.616 6.956 254 HA LYS 35 HA LYS 35 -6.106 2.444 7.531 255 HB2 LYS 35 1HB LYS 35 -6.169 1.589 9.922 256 HB3 LYS 35 2HB LYS 35 -6.484 0.401 8.664 257 HG2 LYS 35 1HG LYS 35 -3.863 0.033 8.901 258 HG3 LYS 35 2HG LYS 35 -4.196 0.638 10.526 259 HD2 LYS 35 1HD LYS 35 -5.937 -1.497 9.378 260 HD3 LYS 35 2HD LYS 35 -4.342 -1.927 9.999 261 HE2 LYS 35 1HE LYS 35 -6.000 -2.206 11.736 262 HE3 LYS 35 2HE LYS 35 -4.924 -0.871 12.148 263 HZ1 LYS 35 1HZ LYS 35 -7.368 -0.479 12.505 264 HZ2 LYS 35 2HZ LYS 35 -7.539 -0.455 10.823 265 HZ3 LYS 35 3HZ LYS 35 -6.565 0.696 11.590 266 H ASP 36 H ASP 36 -6.156 3.837 9.570 267 HA ASP 36 HA ASP 36 -5.353 5.638 10.704 268 HB2 ASP 36 1HB ASP 36 -3.026 3.758 10.742 269 HB3 ASP 36 2HB ASP 36 -2.806 5.402 11.334 270 H ILE 37 H ILE 37 -5.501 5.904 7.941 271 HA ILE 37 HA ILE 37 -3.148 6.898 6.746 272 HB ILE 37 HB ILE 37 -6.047 7.442 6.116 273 HG12 ILE 37 1HG1 ILE 37 -4.044 5.752 4.617 274 HG13 ILE 37 2HG1 ILE 37 -5.109 5.098 5.857 275 HG21 ILE 37 1HG2 ILE 37 -5.038 8.140 3.857 276 HG22 ILE 37 2HG2 ILE 37 -4.968 9.288 5.193 277 HG23 ILE 37 3HG2 ILE 37 -3.537 8.354 4.757 278 HD11 ILE 37 1HD1 ILE 37 -6.430 4.660 4.100 279 HD12 ILE 37 2HD1 ILE 37 -6.904 6.348 4.289 280 HD13 ILE 37 3HD1 ILE 37 -5.686 5.902 3.094 281 H GLU 38 H GLU 38 -2.366 8.971 6.484 282 HA GLU 38 HA GLU 38 -3.175 10.861 8.544 283 HB2 GLU 38 1HB GLU 38 -0.841 10.821 6.627 284 HB3 GLU 38 2HB GLU 38 -1.142 12.125 7.767 285 HG2 GLU 38 1HG GLU 38 -0.724 9.250 8.548 286 HG3 GLU 38 2HG GLU 38 0.541 10.478 8.533 287 HA PRO 39 HA PRO 39 -5.526 13.422 5.845 288 HB2 PRO 39 1HB PRO 39 -5.356 15.758 7.218 289 HB3 PRO 39 2HB PRO 39 -6.358 14.403 7.749 290 HG2 PRO 39 1HG PRO 39 -3.632 15.220 8.678 291 HG3 PRO 39 2HG PRO 39 -5.026 14.684 9.634 292 HD2 PRO 39 1HD PRO 39 -2.963 13.042 9.020 293 HD3 PRO 39 2HD PRO 39 -4.629 12.456 9.197 294 H GLY 40 H GLY 40 -5.270 14.944 4.224 295 HA2 GLY 40 1HA GLY 40 -4.058 16.010 2.578 296 HA3 GLY 40 2HA GLY 40 -3.411 16.923 3.934 297 H SER 41 H SER 41 -2.869 13.494 3.627 298 HA SER 41 HA SER 41 -0.011 14.042 3.259 299 HB2 SER 41 1HB SER 41 0.449 12.045 4.375 300 HB3 SER 41 2HB SER 41 -1.004 12.607 5.201 301 HG SER 41 HG SER 41 -2.127 11.246 3.543 302 HA PRO 42 HA PRO 42 0.486 12.519 -0.810 303 HB2 PRO 42 1HB PRO 42 2.271 10.421 0.336 304 HB3 PRO 42 2HB PRO 42 2.573 11.558 -0.984 305 HG2 PRO 42 1HG PRO 42 3.623 11.935 1.453 306 HG3 PRO 42 2HG PRO 42 3.084 13.295 0.450 307 HD2 PRO 42 1HD PRO 42 1.854 12.120 2.866 308 HD3 PRO 42 2HD PRO 42 1.786 13.782 2.246 309 H ALA 43 H ALA 43 -0.008 10.094 1.717 310 HA ALA 43 HA ALA 43 -0.792 7.974 0.031 311 HB1 ALA 43 1HB ALA 43 -1.793 7.006 2.085 312 HB2 ALA 43 2HB ALA 43 -0.122 7.534 2.296 313 HB3 ALA 43 3HB ALA 43 -1.444 8.518 2.923 314 H GLU 44 H GLU 44 -2.757 10.260 1.939 315 HA GLU 44 HA GLU 44 -5.249 9.347 1.011 316 HB2 GLU 44 1HB GLU 44 -4.860 10.790 3.028 317 HB3 GLU 44 2HB GLU 44 -4.586 12.144 1.940 318 HG2 GLU 44 1HG GLU 44 -6.786 12.446 2.481 319 HG3 GLU 44 2HG GLU 44 -6.929 11.501 1.000 320 H ALA 45 H ALA 45 -3.088 11.889 -0.156 321 HA ALA 45 HA ALA 45 -4.823 12.905 -2.144 322 HB1 ALA 45 1HB ALA 45 -3.210 14.440 -1.954 323 HB2 ALA 45 2HB ALA 45 -2.038 13.266 -1.354 324 HB3 ALA 45 3HB ALA 45 -2.306 13.438 -3.089 325 H ALA 46 H ALA 46 -2.590 10.221 -2.065 326 HA ALA 46 HA ALA 46 -2.319 9.785 -4.829 327 HB1 ALA 46 1HB ALA 46 -2.269 7.695 -2.658 328 HB2 ALA 46 2HB ALA 46 -1.532 7.588 -4.257 329 HB3 ALA 46 3HB ALA 46 -0.910 8.739 -3.074 330 H GLY 47 H GLY 47 -4.829 8.903 -2.547 331 HA2 GLY 47 1HA GLY 47 -7.084 8.659 -3.468 332 HA3 GLY 47 2HA GLY 47 -6.365 7.770 -4.802 333 H LEU 48 H LEU 48 -5.127 7.160 -1.651 334 HA LEU 48 HA LEU 48 -5.820 4.413 -1.776 335 HB2 LEU 48 1HB LEU 48 -4.473 6.197 0.172 336 HB3 LEU 48 2HB LEU 48 -5.105 4.667 0.777 337 HG LEU 48 HG LEU 48 -3.039 5.033 -1.391 338 HD11 LEU 48 1HD1 LEU 48 -2.858 3.885 1.391 339 HD12 LEU 48 2HD1 LEU 48 -2.184 5.423 0.852 340 HD13 LEU 48 3HD1 LEU 48 -1.558 3.909 0.199 341 HD21 LEU 48 1HD2 LEU 48 -3.213 2.354 -0.520 342 HD22 LEU 48 2HD2 LEU 48 -3.561 3.006 -2.121 343 HD23 LEU 48 3HD2 LEU 48 -4.849 2.878 -0.922 344 H LYS 49 H LYS 49 -6.678 3.546 0.577 345 HA LYS 49 HA LYS 49 -8.905 5.007 1.619 346 HB2 LYS 49 1HB LYS 49 -9.394 2.699 -0.259 347 HB3 LYS 49 2HB LYS 49 -10.585 3.221 0.925 348 HG2 LYS 49 1HG LYS 49 -10.357 5.535 -0.143 349 HG3 LYS 49 2HG LYS 49 -9.552 4.695 -1.470 350 HD2 LYS 49 1HD LYS 49 -11.512 3.296 -1.802 351 HD3 LYS 49 2HD LYS 49 -12.314 4.063 -0.428 352 HE2 LYS 49 1HE LYS 49 -11.366 5.600 -2.835 353 HE3 LYS 49 2HE LYS 49 -12.976 4.891 -2.730 354 HZ1 LYS 49 1HZ LYS 49 -11.917 6.764 -0.694 355 HZ2 LYS 49 2HZ LYS 49 -13.518 6.266 -0.913 356 HZ3 LYS 49 3HZ LYS 49 -12.786 7.284 -2.049 357 H ASN 50 H ASN 50 -9.270 4.370 3.652 358 HA ASN 50 HA ASN 50 -7.685 2.611 5.027 359 HB2 ASN 50 1HB ASN 50 -10.563 3.306 5.656 360 HB3 ASN 50 2HB ASN 50 -9.402 2.630 6.796 361 HD21 ASN 50 1HD2 ASN 50 -7.295 3.941 6.884 362 HD22 ASN 50 2HD2 ASN 50 -7.492 5.653 7.005 363 H ASN 51 H ASN 51 -7.847 0.483 5.733 364 HA ASN 51 HA ASN 51 -8.461 -1.716 5.724 365 HB2 ASN 51 1HB ASN 51 -10.953 -0.969 4.199 366 HB3 ASN 51 2HB ASN 51 -10.695 -2.359 5.250 367 HD21 ASN 51 1HD2 ASN 51 -11.751 -2.199 7.076 368 HD22 ASN 51 2HD2 ASN 51 -12.044 -0.749 7.968 369 H ASP 52 H ASP 52 -7.060 -0.281 3.513 370 HA ASP 52 HA ASP 52 -7.764 -1.818 1.151 371 HB2 ASP 52 1HB ASP 52 -5.955 0.473 1.744 372 HB3 ASP 52 2HB ASP 52 -5.554 -0.548 0.366 373 H LEU 53 H LEU 53 -6.945 -3.751 0.730 374 HA LEU 53 HA LEU 53 -4.603 -4.664 2.221 375 HB2 LEU 53 1HB LEU 53 -6.880 -5.921 1.908 376 HB3 LEU 53 2HB LEU 53 -6.169 -6.404 0.370 377 HG LEU 53 HG LEU 53 -4.595 -6.858 2.856 378 HD11 LEU 53 1HD1 LEU 53 -6.567 -7.767 3.674 379 HD12 LEU 53 2HD1 LEU 53 -5.776 -9.148 2.916 380 HD13 LEU 53 3HD1 LEU 53 -7.091 -8.319 2.083 381 HD21 LEU 53 1HD2 LEU 53 -4.047 -8.948 1.534 382 HD22 LEU 53 2HD2 LEU 53 -3.496 -7.421 0.846 383 HD23 LEU 53 3HD2 LEU 53 -4.930 -8.216 0.194 384 H VAL 54 H VAL 54 -2.658 -4.703 1.324 385 HA VAL 54 HA VAL 54 -2.438 -4.446 -1.591 386 HB VAL 54 HB VAL 54 -0.231 -4.081 0.433 387 HG11 VAL 54 1HG1 VAL 54 0.926 -2.944 -1.333 388 HG12 VAL 54 2HG1 VAL 54 0.397 -4.515 -1.937 389 HG13 VAL 54 3HG1 VAL 54 -0.482 -3.054 -2.390 390 HG21 VAL 54 1HG2 VAL 54 -2.501 -2.456 0.085 391 HG22 VAL 54 2HG2 VAL 54 -1.041 -2.093 1.005 392 HG23 VAL 54 3HG2 VAL 54 -1.158 -1.616 -0.689 393 H VAL 55 H VAL 55 -1.767 -6.095 -2.794 394 HA VAL 55 HA VAL 55 -0.699 -8.470 -1.443 395 HB VAL 55 HB VAL 55 -1.158 -9.569 -3.700 396 HG11 VAL 55 1HG1 VAL 55 -3.754 -8.613 -2.662 397 HG12 VAL 55 2HG1 VAL 55 -3.167 -10.258 -2.918 398 HG13 VAL 55 3HG1 VAL 55 -2.662 -9.353 -1.491 399 HG21 VAL 55 1HG2 VAL 55 -1.310 -7.493 -5.001 400 HG22 VAL 55 2HG2 VAL 55 -2.773 -8.467 -5.150 401 HG23 VAL 55 3HG2 VAL 55 -2.763 -7.046 -4.106 402 H ALA 56 H ALA 56 0.051 -6.075 -3.875 403 HA ALA 56 HA ALA 56 2.803 -7.084 -3.950 404 HB1 ALA 56 1HB ALA 56 1.282 -6.281 -6.427 405 HB2 ALA 56 2HB ALA 56 2.948 -6.855 -6.346 406 HB3 ALA 56 3HB ALA 56 1.620 -7.944 -5.945 407 H VAL 57 H VAL 57 4.363 -5.484 -4.686 408 HA VAL 57 HA VAL 57 3.433 -2.710 -4.661 409 HB VAL 57 HB VAL 57 5.473 -3.851 -2.758 410 HG11 VAL 57 1HG1 VAL 57 5.434 -1.258 -4.028 411 HG12 VAL 57 2HG1 VAL 57 5.266 -1.116 -2.277 412 HG13 VAL 57 3HG1 VAL 57 6.647 -1.972 -2.966 413 HG21 VAL 57 1HG2 VAL 57 3.264 -3.966 -1.883 414 HG22 VAL 57 2HG2 VAL 57 4.055 -2.595 -1.104 415 HG23 VAL 57 3HG2 VAL 57 2.901 -2.322 -2.409 416 H ASN 58 H ASN 58 4.241 -1.776 -6.410 417 HA ASN 58 HA ASN 58 5.659 -1.145 -8.072 418 HB2 ASN 58 1HB ASN 58 7.515 -1.956 -5.892 419 HB3 ASN 58 2HB ASN 58 8.200 -1.761 -7.502 420 HD21 ASN 58 1HD2 ASN 58 9.209 -0.125 -5.769 421 HD22 ASN 58 2HD2 ASN 58 8.567 1.474 -5.901 422 H GLY 59 H GLY 59 4.380 -3.682 -8.227 423 HA2 GLY 59 1HA GLY 59 4.378 -5.439 -9.719 424 HA3 GLY 59 2HA GLY 59 5.905 -4.839 -10.348 425 H LYS 60 H LYS 60 5.045 -5.935 -7.082 426 HA LYS 60 HA LYS 60 6.597 -8.358 -7.392 427 HB2 LYS 60 1HB LYS 60 7.450 -6.273 -5.376 428 HB3 LYS 60 2HB LYS 60 8.163 -7.865 -5.592 429 HG2 LYS 60 1HG LYS 60 8.686 -7.112 -7.976 430 HG3 LYS 60 2HG LYS 60 8.319 -5.483 -7.404 431 HD2 LYS 60 1HD LYS 60 10.233 -7.191 -5.871 432 HD3 LYS 60 2HD LYS 60 10.774 -6.381 -7.343 433 HE2 LYS 60 1HE LYS 60 9.674 -4.283 -6.238 434 HE3 LYS 60 2HE LYS 60 9.863 -5.209 -4.750 435 HZ1 LYS 60 1HZ LYS 60 11.796 -3.722 -6.122 436 HZ2 LYS 60 2HZ LYS 60 12.264 -5.346 -6.178 437 HZ3 LYS 60 3HZ LYS 60 11.975 -4.600 -4.687 438 H SER 61 H SER 61 6.008 -9.931 -5.964 439 HA SER 61 HA SER 61 3.597 -9.516 -4.484 440 HB2 SER 61 1HB SER 61 5.394 -11.947 -4.414 441 HB3 SER 61 2HB SER 61 3.680 -11.873 -4.008 442 HG SER 61 HG SER 61 3.674 -10.987 -6.377 443 H VAL 62 H VAL 62 3.577 -8.510 -2.589 444 HA VAL 62 HA VAL 62 5.877 -8.772 -0.790 445 HB VAL 62 HB VAL 62 5.068 -6.845 0.376 446 HG11 VAL 62 1HG1 VAL 62 6.198 -6.601 -1.901 447 HG12 VAL 62 2HG1 VAL 62 4.596 -6.191 -2.517 448 HG13 VAL 62 3HG1 VAL 62 5.344 -5.196 -1.266 449 HG21 VAL 62 1HG2 VAL 62 2.837 -6.739 0.606 450 HG22 VAL 62 2HG2 VAL 62 2.889 -5.823 -0.901 451 HG23 VAL 62 3HG2 VAL 62 2.540 -7.552 -0.931 452 H GLU 63 H GLU 63 2.463 -9.475 -1.048 453 HA GLU 63 HA GLU 63 1.608 -9.912 1.473 454 HB2 GLU 63 1HB GLU 63 0.063 -11.467 0.638 455 HB3 GLU 63 2HB GLU 63 0.433 -10.443 -0.742 456 HG2 GLU 63 1HG GLU 63 0.450 -12.601 -1.604 457 HG3 GLU 63 2HG GLU 63 2.154 -12.213 -1.377 458 H ALA 64 H ALA 64 3.795 -12.011 -0.341 459 HA ALA 64 HA ALA 64 3.922 -14.127 1.497 460 HB1 ALA 64 1HB ALA 64 4.753 -14.399 -0.742 461 HB2 ALA 64 2HB ALA 64 5.974 -13.152 -0.485 462 HB3 ALA 64 3HB ALA 64 6.074 -14.678 0.393 463 H LEU 65 H LEU 65 5.869 -11.179 1.202 464 HA LEU 65 HA LEU 65 7.722 -11.762 3.226 465 HB2 LEU 65 1HB LEU 65 6.743 -9.255 1.937 466 HB3 LEU 65 2HB LEU 65 7.777 -9.148 3.360 467 HG LEU 65 HG LEU 65 8.632 -10.754 0.981 468 HD11 LEU 65 1HD1 LEU 65 8.777 -7.771 1.319 469 HD12 LEU 65 2HD1 LEU 65 8.136 -8.688 -0.044 470 HD13 LEU 65 3HD1 LEU 65 9.872 -8.671 0.268 471 HD21 LEU 65 1HD2 LEU 65 10.782 -10.499 1.853 472 HD22 LEU 65 2HD2 LEU 65 9.774 -10.767 3.276 473 HD23 LEU 65 3HD2 LEU 65 10.310 -9.136 2.868 474 H ASP 66 H ASP 66 7.826 -10.064 5.178 475 HA ASP 66 HA ASP 66 5.308 -10.439 6.655 476 HB2 ASP 66 1HB ASP 66 6.744 -10.218 8.699 477 HB3 ASP 66 2HB ASP 66 7.121 -11.620 7.701 478 H HIS 67 H HIS 67 5.074 -8.764 8.494 479 HA HIS 67 HA HIS 67 4.319 -6.361 7.620 480 HB2 HIS 67 1HB HIS 67 3.964 -6.908 9.916 481 HB3 HIS 67 2HB HIS 67 5.695 -6.982 10.234 482 HD1 HIS 67 1HD HIS 67 2.970 -4.891 10.909 483 HD2 HIS 67 2HD HIS 67 6.839 -4.189 9.566 484 HE1 HIS 67 1HE HIS 67 3.433 -2.473 11.424 485 HE2 HIS 67 2HE HIS 67 5.747 -2.049 10.525 486 H ASP 68 H ASP 68 7.618 -6.941 8.844 487 HA ASP 68 HA ASP 68 8.620 -4.402 8.154 488 HB2 ASP 68 1HB ASP 68 9.661 -6.077 9.747 489 HB3 ASP 68 2HB ASP 68 10.246 -6.940 8.327 490 H GLY 69 H GLY 69 9.053 -7.542 6.511 491 HA2 GLY 69 1HA GLY 69 10.519 -6.834 4.341 492 HA3 GLY 69 2HA GLY 69 9.211 -8.004 4.253 493 H VAL 70 H VAL 70 6.950 -6.739 4.333 494 HA VAL 70 HA VAL 70 6.647 -5.521 1.854 495 HB VAL 70 HB VAL 70 4.846 -5.168 4.254 496 HG11 VAL 70 1HG1 VAL 70 4.233 -3.588 2.597 497 HG12 VAL 70 2HG1 VAL 70 4.416 -4.772 1.301 498 HG13 VAL 70 3HG1 VAL 70 3.093 -4.926 2.458 499 HG21 VAL 70 1HG2 VAL 70 4.493 -7.361 4.102 500 HG22 VAL 70 2HG2 VAL 70 3.742 -7.054 2.536 501 HG23 VAL 70 3HG2 VAL 70 5.450 -7.480 2.626 502 H VAL 71 H VAL 71 6.148 -3.839 4.959 503 HA VAL 71 HA VAL 71 6.088 -1.263 4.096 504 HB VAL 71 HB VAL 71 7.349 -2.348 6.611 505 HG11 VAL 71 1HG1 VAL 71 6.990 0.050 7.433 506 HG12 VAL 71 2HG1 VAL 71 8.383 -0.259 6.394 507 HG13 VAL 71 3HG1 VAL 71 6.932 0.489 5.726 508 HG21 VAL 71 1HG2 VAL 71 4.640 -1.378 5.826 509 HG22 VAL 71 2HG2 VAL 71 5.097 -2.784 6.787 510 HG23 VAL 71 3HG2 VAL 71 5.181 -1.170 7.492 511 H GLU 72 H GLU 72 8.847 -3.356 4.192 512 HA GLU 72 HA GLU 72 10.838 -1.318 4.029 513 HB2 GLU 72 1HB GLU 72 11.096 -3.789 4.756 514 HB3 GLU 72 2HB GLU 72 11.207 -4.130 3.035 515 HG2 GLU 72 1HG GLU 72 13.402 -3.908 4.125 516 HG3 GLU 72 2HG GLU 72 13.153 -2.743 2.826 517 H MET 73 H MET 73 9.286 -3.445 1.645 518 HA MET 73 HA MET 73 10.668 -2.763 -0.625 519 HB2 MET 73 1HB MET 73 7.709 -3.295 -0.321 520 HB3 MET 73 2HB MET 73 8.547 -3.239 -1.866 521 HG2 MET 73 1HG MET 73 9.441 -5.096 0.301 522 HG3 MET 73 2HG MET 73 8.107 -5.519 -0.770 523 HE1 MET 73 1HE MET 73 9.442 -7.742 -1.822 524 HE2 MET 73 2HE MET 73 8.322 -6.723 -2.726 525 HE3 MET 73 3HE MET 73 9.829 -7.256 -3.472 526 H ILE 74 H ILE 74 7.896 -1.054 0.793 527 HA ILE 74 HA ILE 74 7.592 0.917 -1.150 528 HB ILE 74 HB ILE 74 7.117 1.131 1.825 529 HG12 ILE 74 1HG1 ILE 74 4.671 0.926 0.803 530 HG13 ILE 74 2HG1 ILE 74 5.536 0.092 -0.484 531 HG21 ILE 74 1HG2 ILE 74 7.198 3.198 0.002 532 HG22 ILE 74 2HG2 ILE 74 5.483 2.799 0.097 533 HG23 ILE 74 3HG2 ILE 74 6.373 3.217 1.561 534 HD11 ILE 74 1HD1 ILE 74 5.708 -1.748 0.734 535 HD12 ILE 74 2HD1 ILE 74 6.360 -0.856 2.110 536 HD13 ILE 74 3HD1 ILE 74 4.615 -0.993 1.894 537 H ARG 75 H ARG 75 9.751 0.783 1.640 538 HA ARG 75 HA ARG 75 10.750 3.442 1.283 539 HB2 ARG 75 1HB ARG 75 11.616 1.092 2.951 540 HB3 ARG 75 2HB ARG 75 12.574 2.565 2.873 541 HG2 ARG 75 1HG ARG 75 10.972 3.823 3.966 542 HG3 ARG 75 2HG ARG 75 9.672 2.698 3.567 543 HD2 ARG 75 1HD ARG 75 10.380 1.142 5.178 544 HD3 ARG 75 2HD ARG 75 11.955 1.914 5.352 545 HE ARG 75 HE ARG 75 9.494 2.667 6.651 546 HH11 ARG 75 2HH1 ARG 75 12.674 3.692 5.672 547 HH12 ARG 75 1HH1 ARG 75 12.773 4.955 6.854 548 HH21 ARG 75 2HH2 ARG 75 9.613 4.326 8.212 549 HH22 ARG 75 1HH2 ARG 75 11.032 5.314 8.299 550 H LYS 76 H LYS 76 11.764 0.219 0.305 551 HA LYS 76 HA LYS 76 14.341 0.876 -0.611 552 HB2 LYS 76 1HB LYS 76 12.439 -1.307 -1.476 553 HB3 LYS 76 2HB LYS 76 14.117 -1.205 -1.993 554 HG2 LYS 76 1HG LYS 76 14.691 -1.214 0.500 555 HG3 LYS 76 2HG LYS 76 13.029 -1.756 0.743 556 HD2 LYS 76 1HD LYS 76 13.388 -3.758 -0.400 557 HD3 LYS 76 2HD LYS 76 14.833 -3.146 -1.208 558 HE2 LYS 76 1HE LYS 76 16.029 -3.149 0.921 559 HE3 LYS 76 2HE LYS 76 14.581 -3.729 1.742 560 HZ1 LYS 76 1HZ LYS 76 15.840 -5.631 1.382 561 HZ2 LYS 76 2HZ LYS 76 16.307 -5.166 -0.175 562 HZ3 LYS 76 3HZ LYS 76 14.719 -5.671 0.115 563 H GLY 77 H GLY 77 11.183 1.275 -2.024 564 HA2 GLY 77 1HA GLY 77 12.186 1.762 -4.689 565 HA3 GLY 77 2HA GLY 77 10.527 1.960 -4.143 566 H GLY 78 H GLY 78 13.541 3.441 -2.969 567 HA2 GLY 78 1HA GLY 78 14.143 5.642 -2.733 568 HA3 GLY 78 2HA GLY 78 13.205 5.939 -4.189 569 H ASP 79 H ASP 79 12.070 7.726 -3.730 570 HA ASP 79 HA ASP 79 10.788 8.005 -1.127 571 HB2 ASP 79 1HB ASP 79 11.147 9.874 -3.466 572 HB3 ASP 79 2HB ASP 79 10.115 10.271 -2.096 573 H GLN 80 H GLN 80 9.956 7.617 -4.526 574 HA GLN 80 HA GLN 80 7.118 7.423 -3.774 575 HB2 GLN 80 1HB GLN 80 6.545 7.994 -6.009 576 HB3 GLN 80 2HB GLN 80 7.798 9.124 -5.511 577 HG2 GLN 80 1HG GLN 80 9.446 7.582 -6.660 578 HG3 GLN 80 2HG GLN 80 8.044 6.776 -7.362 579 HE21 GLN 80 1HE2 GLN 80 7.350 7.513 -9.235 580 HE22 GLN 80 2HE2 GLN 80 7.690 9.068 -9.905 581 H THR 81 H THR 81 5.896 5.656 -4.402 582 HA THR 81 HA THR 81 7.072 3.516 -5.942 583 HB THR 81 HB THR 81 8.031 3.018 -3.758 584 HG1 THR 81 1HG THR 81 7.339 0.904 -3.691 585 HG21 THR 81 1HG2 THR 81 6.597 4.060 -2.208 586 HG22 THR 81 2HG2 THR 81 6.389 2.332 -1.921 587 HG23 THR 81 3HG2 THR 81 5.176 3.227 -2.836 588 H THR 82 H THR 82 5.551 2.261 -6.898 589 HA THR 82 HA THR 82 2.790 3.067 -6.588 590 HB THR 82 HB THR 82 3.926 0.950 -8.423 591 HG1 THR 82 1HG THR 82 3.818 2.696 -9.983 592 HG21 THR 82 1HG2 THR 82 1.300 1.497 -7.801 593 HG22 THR 82 2HG2 THR 82 1.866 0.710 -9.275 594 HG23 THR 82 3HG2 THR 82 1.566 2.447 -9.262 595 H LEU 83 H LEU 83 1.088 1.773 -5.933 596 HA LEU 83 HA LEU 83 1.822 -0.785 -4.670 597 HB2 LEU 83 1HB LEU 83 -0.449 0.804 -3.604 598 HB3 LEU 83 2HB LEU 83 0.636 -0.310 -2.774 599 HG LEU 83 HG LEU 83 1.306 2.509 -3.618 600 HD11 LEU 83 1HD1 LEU 83 -0.113 2.757 -1.802 601 HD12 LEU 83 2HD1 LEU 83 1.482 2.712 -1.050 602 HD13 LEU 83 3HD1 LEU 83 0.455 1.279 -1.026 603 HD21 LEU 83 1HD2 LEU 83 3.428 2.213 -2.785 604 HD22 LEU 83 2HD2 LEU 83 3.128 0.637 -3.518 605 HD23 LEU 83 3HD2 LEU 83 2.959 0.846 -1.775 606 H LEU 84 H LEU 84 0.061 -2.337 -4.479 607 HA LEU 84 HA LEU 84 -2.060 -1.944 -6.481 608 HB2 LEU 84 1HB LEU 84 -0.435 -3.359 -7.506 609 HB3 LEU 84 2HB LEU 84 -0.317 -4.362 -6.062 610 HG LEU 84 HG LEU 84 -2.684 -5.077 -6.472 611 HD11 LEU 84 1HD1 LEU 84 -2.269 -3.326 -8.847 612 HD12 LEU 84 2HD1 LEU 84 -3.692 -3.523 -7.825 613 HD13 LEU 84 3HD1 LEU 84 -3.275 -4.767 -9.003 614 HD21 LEU 84 1HD2 LEU 84 -0.904 -5.705 -8.810 615 HD22 LEU 84 2HD2 LEU 84 -2.084 -6.747 -8.014 616 HD23 LEU 84 3HD2 LEU 84 -0.584 -6.321 -7.189 617 H VAL 85 H VAL 85 -3.729 -1.617 -5.089 618 HA VAL 85 HA VAL 85 -4.152 -3.544 -2.921 619 HB VAL 85 HB VAL 85 -5.837 -2.005 -2.073 620 HG11 VAL 85 1HG1 VAL 85 -3.706 -1.546 -1.218 621 HG12 VAL 85 2HG1 VAL 85 -3.147 -0.852 -2.741 622 HG13 VAL 85 3HG1 VAL 85 -4.313 0.022 -1.747 623 HG21 VAL 85 1HG2 VAL 85 -5.133 -0.045 -4.227 624 HG22 VAL 85 2HG2 VAL 85 -6.430 -1.218 -4.456 625 HG23 VAL 85 3HG2 VAL 85 -6.520 -0.050 -3.138 626 H LEU 86 H LEU 86 -6.145 -4.624 -2.657 627 HA LEU 86 HA LEU 86 -7.637 -4.965 -5.171 628 HB2 LEU 86 1HB LEU 86 -6.805 -6.816 -3.014 629 HB3 LEU 86 2HB LEU 86 -8.372 -7.112 -3.764 630 HG LEU 86 HG LEU 86 -6.561 -8.459 -4.752 631 HD11 LEU 86 1HD1 LEU 86 -8.611 -7.491 -6.015 632 HD12 LEU 86 2HD1 LEU 86 -7.306 -8.249 -6.927 633 HD13 LEU 86 3HD1 LEU 86 -7.411 -6.491 -6.834 634 HD21 LEU 86 1HD2 LEU 86 -4.573 -7.431 -4.874 635 HD22 LEU 86 2HD2 LEU 86 -5.295 -5.822 -4.931 636 HD23 LEU 86 3HD2 LEU 86 -5.179 -6.789 -6.402 637 H ASP 87 H ASP 87 -9.844 -4.838 -5.199 638 HA ASP 87 HA ASP 87 -11.072 -3.424 -3.004 639 HB2 ASP 87 1HB ASP 87 -13.071 -3.380 -4.494 640 HB3 ASP 87 2HB ASP 87 -11.622 -2.722 -5.249 641 H LYS 88 H LYS 88 -11.441 -6.578 -4.575 642 HA LYS 88 HA LYS 88 -13.637 -7.495 -3.105 643 HB2 LYS 88 1HB LYS 88 -11.367 -9.196 -4.142 644 HB3 LYS 88 2HB LYS 88 -13.021 -9.707 -3.832 645 HG2 LYS 88 1HG LYS 88 -12.589 -7.509 -5.778 646 HG3 LYS 88 2HG LYS 88 -12.160 -9.151 -6.264 647 HD2 LYS 88 1HD LYS 88 -14.347 -9.122 -6.920 648 HD3 LYS 88 2HD LYS 88 -14.550 -9.685 -5.259 649 HE2 LYS 88 1HE LYS 88 -16.087 -8.004 -5.265 650 HE3 LYS 88 2HE LYS 88 -14.664 -7.081 -4.786 651 HZ1 LYS 88 1HZ LYS 88 -14.745 -7.164 -7.578 652 HZ2 LYS 88 2HZ LYS 88 -14.935 -5.821 -6.568 653 HZ3 LYS 88 3HZ LYS 88 -16.287 -6.722 -7.040 654 H GLU 89 H GLU 89 -10.161 -7.765 -2.460 655 HA GLU 89 HA GLU 89 -10.739 -8.959 0.150 656 HB2 GLU 89 1HB GLU 89 -8.025 -8.478 -1.077 657 HB3 GLU 89 2HB GLU 89 -8.425 -9.548 0.259 658 HG2 GLU 89 1HG GLU 89 -9.732 -10.040 -2.358 659 HG3 GLU 89 2HG GLU 89 -8.026 -10.449 -2.187 660 H ALA 90 H ALA 90 -11.385 -6.196 -0.343 661 HA ALA 90 HA ALA 90 -9.356 -4.695 1.122 662 HB1 ALA 90 1HB ALA 90 -10.603 -3.844 -0.958 663 HB2 ALA 90 2HB ALA 90 -11.953 -3.565 0.141 664 HB3 ALA 90 3HB ALA 90 -10.415 -2.746 0.409 665 H GLU 91 H GLU 91 -12.835 -5.422 1.375 666 HA GLU 91 HA GLU 91 -12.765 -4.603 4.187 667 HB2 GLU 91 1HB GLU 91 -15.132 -5.265 2.426 668 HB3 GLU 91 2HB GLU 91 -15.214 -4.655 4.073 669 HG2 GLU 91 1HG GLU 91 -14.487 -2.540 3.464 670 HG3 GLU 91 2HG GLU 91 -13.786 -3.110 1.950 671 H SER 92 H SER 92 -12.527 -6.096 5.700 672 HA SER 92 HA SER 92 -13.125 -8.893 5.044 673 HB2 SER 92 1HB SER 92 -10.852 -8.523 5.801 674 HB3 SER 92 2HB SER 92 -11.430 -7.685 7.242 675 HG SER 92 HG SER 92 -12.624 -10.001 7.264 676 H ILE 93 H ILE 93 -14.871 -9.831 5.856 677 HA ILE 93 HA ILE 93 -16.178 -8.584 8.183 678 HB ILE 93 HB ILE 93 -18.277 -9.575 7.395 679 HG12 ILE 93 1HG1 ILE 93 -18.071 -10.320 4.844 680 HG13 ILE 93 2HG1 ILE 93 -16.450 -10.768 5.364 681 HG21 ILE 93 1HG2 ILE 93 -16.810 -7.479 6.133 682 HG22 ILE 93 2HG2 ILE 93 -17.818 -8.283 4.931 683 HG23 ILE 93 3HG2 ILE 93 -18.549 -7.616 6.391 684 HD11 ILE 93 1HD1 ILE 93 -17.292 -12.296 6.960 685 HD12 ILE 93 2HD1 ILE 93 -18.939 -11.694 6.765 686 HD13 ILE 93 3HD1 ILE 93 -18.166 -12.588 5.456 687 H TYR 94 H TYR 94 -17.150 -9.956 9.753 688 HA TYR 94 HA TYR 94 -16.527 -12.793 9.674 689 HB2 TYR 94 1HB TYR 94 -15.173 -10.839 11.470 690 HB3 TYR 94 2HB TYR 94 -15.617 -12.402 12.148 691 HD1 TYR 94 1HD TYR 94 -13.839 -10.908 9.227 692 HD2 TYR 94 2HD TYR 94 -14.171 -14.200 11.902 693 HE1 TYR 94 1HE TYR 94 -11.814 -11.901 8.246 694 HE2 TYR 94 2HE TYR 94 -12.146 -15.202 10.929 695 HH TYR 94 HH TYR 94 -10.909 -14.447 8.081 696 H SER 95 H SER 95 -17.901 -14.024 10.887 697 HA SER 95 HA SER 95 -19.563 -12.883 12.937 698 HB2 SER 95 1HB SER 95 -20.845 -13.796 10.350 699 HB3 SER 95 2HB SER 95 -21.710 -13.341 11.818 700 HG SER 95 HG SER 95 -20.119 -11.691 10.152 701 H LEU 96 H LEU 96 -19.586 -14.413 14.432 702 HA LEU 96 HA LEU 96 -19.874 -17.216 13.577 703 HB2 LEU 96 1HB LEU 96 -17.578 -16.491 14.453 704 HB3 LEU 96 2HB LEU 96 -18.359 -16.383 16.030 705 HG LEU 96 HG LEU 96 -17.157 -18.484 15.787 706 HD11 LEU 96 1HD1 LEU 96 -20.096 -19.088 15.648 707 HD12 LEU 96 2HD1 LEU 96 -19.355 -18.298 17.039 708 HD13 LEU 96 3HD1 LEU 96 -18.845 -19.920 16.573 709 HD21 LEU 96 1HD2 LEU 96 -17.217 -19.781 13.970 710 HD22 LEU 96 2HD2 LEU 96 -17.960 -18.399 13.165 711 HD23 LEU 96 3HD2 LEU 96 -18.973 -19.675 13.841 712 H SER 97 H SER 97 -21.905 -17.738 14.090 713 HA SER 97 HA SER 97 -23.235 -16.610 16.385 714 HB2 SER 97 1HB SER 97 -24.390 -17.128 14.209 715 HB3 SER 97 2HB SER 97 -24.205 -18.841 14.587 716 HG SER 97 HG SER 97 -25.327 -17.260 16.570 717 H GLY 98 H GLY 98 -22.505 -17.312 18.311 718 HA2 GLY 98 1HA GLY 98 -21.655 -20.026 18.737 719 HA3 GLY 98 2HA GLY 98 -21.778 -18.766 19.956 720 HA PRO 99 HA PRO 99 -25.553 -21.791 19.791 721 HB2 PRO 99 1HB PRO 99 -24.637 -23.975 21.119 722 HB3 PRO 99 2HB PRO 99 -24.572 -23.823 19.359 723 HG2 PRO 99 1HG PRO 99 -22.415 -23.359 21.382 724 HG3 PRO 99 2HG PRO 99 -22.322 -24.191 19.819 725 HD2 PRO 99 1HD PRO 99 -21.475 -21.642 20.166 726 HD3 PRO 99 2HD PRO 99 -22.168 -22.218 18.636 727 H SER 100 H SER 100 -26.227 -20.134 21.255 728 HA SER 100 HA SER 100 -25.397 -20.283 24.024 729 HB2 SER 100 1HB SER 100 -27.183 -18.471 22.437 730 HB3 SER 100 2HB SER 100 -27.296 -18.480 24.197 731 HG SER 100 HG SER 100 -25.511 -17.243 22.681 732 H SER 101 H SER 101 -27.027 -20.398 25.769 733 HA SER 101 HA SER 101 -29.044 -22.440 25.127 734 HB2 SER 101 1HB SER 101 -28.956 -22.926 27.604 735 HB3 SER 101 2HB SER 101 -27.461 -23.260 26.732 736 HG SER 101 HG SER 101 -26.492 -21.798 27.884 737 H GLY 102 H GLY 102 -31.161 -22.104 25.530 738 HA2 GLY 102 1HA GLY 102 -32.894 -21.075 26.905 739 HA3 GLY 102 2HA GLY 102 -31.896 -19.630 26.965 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -17.250 -0.212 -17.845 2 HA2 GLY 1 1HA GLY 1 -14.917 -1.016 -19.429 3 HA3 GLY 1 2HA GLY 1 -15.128 0.694 -19.081 4 H SER 2 H SER 2 -13.227 -1.630 -18.227 5 HA SER 2 HA SER 2 -12.055 -2.256 -16.374 6 HB2 SER 2 1HB SER 2 -12.706 0.628 -15.909 7 HB3 SER 2 2HB SER 2 -11.917 -0.286 -14.624 8 HG SER 2 HG SER 2 -10.129 -0.271 -15.730 9 H SER 3 H SER 3 -14.672 -3.187 -16.370 10 HA SER 3 HA SER 3 -15.775 -2.732 -13.722 11 HB2 SER 3 1HB SER 3 -17.255 -2.967 -15.715 12 HB3 SER 3 2HB SER 3 -16.715 -4.638 -15.878 13 HG SER 3 HG SER 3 -17.874 -5.198 -14.178 14 H GLY 4 H GLY 4 -14.992 -3.793 -12.032 15 HA2 GLY 4 1HA GLY 4 -14.586 -5.710 -10.746 16 HA3 GLY 4 2HA GLY 4 -14.560 -6.666 -12.219 17 H SER 5 H SER 5 -12.690 -3.786 -11.312 18 HA SER 5 HA SER 5 -10.295 -4.646 -12.425 19 HB2 SER 5 1HB SER 5 -9.225 -2.944 -10.909 20 HB3 SER 5 2HB SER 5 -10.584 -2.328 -11.850 21 HG SER 5 HG SER 5 -10.381 -2.809 -9.108 22 H SER 6 H SER 6 -8.917 -6.194 -11.889 23 HA SER 6 HA SER 6 -9.197 -7.559 -9.345 24 HB2 SER 6 1HB SER 6 -7.535 -9.148 -10.312 25 HB3 SER 6 2HB SER 6 -8.958 -8.933 -11.331 26 HG SER 6 HG SER 6 -6.323 -8.180 -11.767 27 H GLY 7 H GLY 7 -8.271 -4.948 -9.037 28 HA2 GLY 7 1HA GLY 7 -6.567 -4.627 -7.209 29 HA3 GLY 7 2HA GLY 7 -5.431 -5.360 -8.333 30 H ARG 8 H ARG 8 -6.555 -2.485 -7.136 31 HA ARG 8 HA ARG 8 -6.152 -0.934 -9.560 32 HB2 ARG 8 1HB ARG 8 -6.748 0.997 -8.175 33 HB3 ARG 8 2HB ARG 8 -7.944 -0.284 -8.027 34 HG2 ARG 8 1HG ARG 8 -6.766 -0.985 -5.915 35 HG3 ARG 8 2HG ARG 8 -5.835 0.509 -6.040 36 HD2 ARG 8 1HD ARG 8 -8.841 0.311 -5.876 37 HD3 ARG 8 2HD ARG 8 -7.766 0.759 -4.552 38 HE ARG 8 HE ARG 8 -7.202 2.526 -6.575 39 HH11 ARG 8 2HH1 ARG 8 -10.026 1.623 -4.751 40 HH12 ARG 8 1HH1 ARG 8 -10.763 3.187 -4.868 41 HH21 ARG 8 2HH2 ARG 8 -8.161 4.589 -6.737 42 HH22 ARG 8 1HH2 ARG 8 -9.701 4.873 -5.999 43 H VAL 9 H VAL 9 -4.621 0.832 -9.652 44 HA VAL 9 HA VAL 9 -2.120 0.151 -8.276 45 HB VAL 9 HB VAL 9 -2.594 1.825 -10.747 46 HG11 VAL 9 1HG1 VAL 9 -0.566 2.684 -10.478 47 HG12 VAL 9 2HG1 VAL 9 -0.405 1.832 -8.941 48 HG13 VAL 9 3HG1 VAL 9 0.124 1.062 -10.437 49 HG21 VAL 9 1HG2 VAL 9 -1.009 -0.215 -11.522 50 HG22 VAL 9 2HG2 VAL 9 -1.959 -1.014 -10.270 51 HG23 VAL 9 3HG2 VAL 9 -2.769 -0.244 -11.634 52 H VAL 10 H VAL 10 -1.268 1.454 -6.787 53 HA VAL 10 HA VAL 10 -2.381 4.172 -6.518 54 HB VAL 10 HB VAL 10 -1.173 2.625 -4.239 55 HG11 VAL 10 1HG1 VAL 10 -1.797 4.352 -2.950 56 HG12 VAL 10 2HG1 VAL 10 -1.879 5.247 -4.469 57 HG13 VAL 10 3HG1 VAL 10 -3.341 4.541 -3.781 58 HG21 VAL 10 1HG2 VAL 10 -4.018 2.681 -4.061 59 HG22 VAL 10 2HG2 VAL 10 -3.559 1.948 -5.598 60 HG23 VAL 10 3HG2 VAL 10 -2.939 1.286 -4.085 61 H VAL 11 H VAL 11 -0.985 5.863 -6.029 62 HA VAL 11 HA VAL 11 1.890 5.266 -6.013 63 HB VAL 11 HB VAL 11 0.595 7.363 -7.762 64 HG11 VAL 11 1HG1 VAL 11 3.171 7.194 -8.579 65 HG12 VAL 11 2HG1 VAL 11 2.568 8.395 -7.435 66 HG13 VAL 11 3HG1 VAL 11 3.354 6.929 -6.845 67 HG21 VAL 11 1HG2 VAL 11 0.362 5.020 -8.564 68 HG22 VAL 11 2HG2 VAL 11 1.317 6.044 -9.636 69 HG23 VAL 11 3HG2 VAL 11 2.121 4.892 -8.571 70 H ILE 12 H ILE 12 3.008 6.410 -4.556 71 HA ILE 12 HA ILE 12 1.789 8.849 -3.450 72 HB ILE 12 HB ILE 12 3.268 6.852 -1.748 73 HG12 ILE 12 1HG1 ILE 12 0.272 7.187 -1.825 74 HG13 ILE 12 2HG1 ILE 12 1.104 5.964 -2.780 75 HG21 ILE 12 1HG2 ILE 12 2.153 8.092 0.086 76 HG22 ILE 12 2HG2 ILE 12 3.255 9.088 -0.864 77 HG23 ILE 12 3HG2 ILE 12 1.514 9.218 -1.111 78 HD11 ILE 12 1HD1 ILE 12 1.556 6.127 0.164 79 HD12 ILE 12 2HD1 ILE 12 0.117 5.336 -0.480 80 HD13 ILE 12 3HD1 ILE 12 1.720 4.748 -0.922 81 H LYS 13 H LYS 13 3.331 10.271 -2.354 82 HA LYS 13 HA LYS 13 6.118 9.893 -3.195 83 HB2 LYS 13 1HB LYS 13 4.918 12.624 -3.376 84 HB3 LYS 13 2HB LYS 13 6.290 11.948 -4.244 85 HG2 LYS 13 1HG LYS 13 4.835 10.670 -5.663 86 HG3 LYS 13 2HG LYS 13 3.424 11.160 -4.722 87 HD2 LYS 13 1HD LYS 13 5.180 13.226 -5.988 88 HD3 LYS 13 2HD LYS 13 3.968 12.380 -6.953 89 HE2 LYS 13 1HE LYS 13 2.299 13.043 -5.153 90 HE3 LYS 13 2HE LYS 13 3.547 14.128 -4.542 91 HZ1 LYS 13 1HZ LYS 13 1.768 14.906 -6.301 92 HZ2 LYS 13 2HZ LYS 13 2.899 14.276 -7.388 93 HZ3 LYS 13 3HZ LYS 13 3.350 15.506 -6.317 94 H LYS 14 H LYS 14 7.472 10.160 -1.554 95 HA LYS 14 HA LYS 14 6.759 10.707 1.044 96 HB2 LYS 14 1HB LYS 14 9.011 9.858 -0.032 97 HB3 LYS 14 2HB LYS 14 9.467 11.552 0.096 98 HG2 LYS 14 1HG LYS 14 9.310 11.533 2.435 99 HG3 LYS 14 2HG LYS 14 8.412 10.013 2.445 100 HD2 LYS 14 1HD LYS 14 11.183 10.119 1.318 101 HD3 LYS 14 2HD LYS 14 10.938 10.016 3.063 102 HE2 LYS 14 1HE LYS 14 9.613 7.986 2.759 103 HE3 LYS 14 2HE LYS 14 9.837 8.094 1.013 104 HZ1 LYS 14 1HZ LYS 14 11.474 6.815 2.830 105 HZ2 LYS 14 2HZ LYS 14 12.336 8.186 2.342 106 HZ3 LYS 14 3HZ LYS 14 11.783 7.079 1.188 107 H GLY 15 H GLY 15 6.382 12.480 2.243 108 HA2 GLY 15 1HA GLY 15 6.718 15.092 0.907 109 HA3 GLY 15 2HA GLY 15 5.459 14.730 2.078 110 H SER 16 H SER 16 5.782 15.454 4.068 111 HA SER 16 HA SER 16 8.546 16.058 4.892 112 HB2 SER 16 1HB SER 16 7.315 17.666 6.522 113 HB3 SER 16 2HB SER 16 7.465 18.132 4.828 114 HG SER 16 HG SER 16 5.214 16.679 5.658 115 H ASN 17 H ASN 17 5.545 14.517 5.748 116 HA ASN 17 HA ASN 17 6.750 13.605 8.277 117 HB2 ASN 17 1HB ASN 17 3.899 14.132 7.487 118 HB3 ASN 17 2HB ASN 17 4.268 13.026 8.807 119 HD21 ASN 17 1HD2 ASN 17 3.634 16.173 8.004 120 HD22 ASN 17 2HD2 ASN 17 4.226 16.947 9.431 121 H GLY 18 H GLY 18 7.147 12.479 5.577 122 HA2 GLY 18 1HA GLY 18 7.645 10.206 5.116 123 HA3 GLY 18 2HA GLY 18 6.387 9.729 6.247 124 H TYR 19 H TYR 19 4.986 8.549 5.107 125 HA TYR 19 HA TYR 19 4.183 9.491 2.446 126 HB2 TYR 19 1HB TYR 19 4.014 6.801 3.794 127 HB3 TYR 19 2HB TYR 19 3.130 7.161 2.315 128 HD1 TYR 19 2HD TYR 19 4.450 7.850 0.262 129 HD2 TYR 19 1HD TYR 19 6.285 6.191 3.724 130 HE1 TYR 19 2HE TYR 19 6.439 7.284 -1.070 131 HE2 TYR 19 1HE TYR 19 8.279 5.622 2.402 132 HH TYR 19 HH TYR 19 9.256 5.706 0.414 133 H GLY 20 H GLY 20 2.654 7.935 5.277 134 HA2 GLY 20 1HA GLY 20 0.829 9.383 6.284 135 HA3 GLY 20 2HA GLY 20 0.203 9.454 4.644 136 H PHE 21 H PHE 21 1.201 6.541 4.409 137 HA PHE 21 HA PHE 21 -1.186 5.355 5.661 138 HB2 PHE 21 1HB PHE 21 -1.230 3.741 3.884 139 HB3 PHE 21 2HB PHE 21 -1.073 5.335 3.153 140 HD1 PHE 21 1HD PHE 21 1.232 6.091 2.419 141 HD2 PHE 21 2HD PHE 21 0.322 2.060 3.439 142 HE1 PHE 21 1HE PHE 21 3.229 5.334 1.197 143 HE2 PHE 21 2HE PHE 21 2.318 1.297 2.220 144 HZ PHE 21 HZ PHE 21 3.775 2.935 1.097 145 H TYR 22 H TYR 22 -1.008 3.132 6.403 146 HA TYR 22 HA TYR 22 1.729 2.366 7.165 147 HB2 TYR 22 1HB TYR 22 -0.726 2.389 8.928 148 HB3 TYR 22 2HB TYR 22 0.780 1.585 9.356 149 HD1 TYR 22 1HD TYR 22 -0.845 4.840 8.826 150 HD2 TYR 22 2HD TYR 22 2.707 2.847 10.058 151 HE1 TYR 22 1HE TYR 22 0.004 6.948 9.766 152 HE2 TYR 22 2HE TYR 22 3.565 4.949 11.003 153 HH TYR 22 HH TYR 22 3.019 7.062 11.592 154 H LEU 23 H LEU 23 1.693 0.035 8.087 155 HA LEU 23 HA LEU 23 -0.226 -1.640 6.633 156 HB2 LEU 23 1HB LEU 23 2.765 -2.020 6.601 157 HB3 LEU 23 2HB LEU 23 1.582 -3.123 5.900 158 HG LEU 23 HG LEU 23 2.025 -0.283 4.983 159 HD11 LEU 23 1HD1 LEU 23 3.944 -1.177 4.192 160 HD12 LEU 23 2HD1 LEU 23 2.868 -1.783 2.934 161 HD13 LEU 23 3HD1 LEU 23 3.339 -2.831 4.271 162 HD21 LEU 23 1HD2 LEU 23 0.860 -1.868 2.991 163 HD22 LEU 23 2HD2 LEU 23 0.101 -0.569 3.912 164 HD23 LEU 23 3HD2 LEU 23 -0.020 -2.237 4.475 165 H ARG 24 H ARG 24 -0.860 -3.444 7.700 166 HA ARG 24 HA ARG 24 0.596 -4.194 10.139 167 HB2 ARG 24 1HB ARG 24 -1.408 -2.769 10.662 168 HB3 ARG 24 2HB ARG 24 -2.414 -4.029 9.961 169 HG2 ARG 24 1HG ARG 24 -1.739 -5.592 11.647 170 HG3 ARG 24 2HG ARG 24 -0.553 -4.452 12.287 171 HD2 ARG 24 1HD ARG 24 -2.559 -2.887 12.647 172 HD3 ARG 24 2HD ARG 24 -3.547 -4.331 12.424 173 HE ARG 24 HE ARG 24 -1.828 -5.135 14.308 174 HH11 ARG 24 2HH1 ARG 24 -3.738 -2.240 14.012 175 HH12 ARG 24 1HH1 ARG 24 -3.908 -2.020 15.722 176 HH21 ARG 24 2HH2 ARG 24 -2.043 -4.856 16.562 177 HH22 ARG 24 1HH2 ARG 24 -2.943 -3.508 17.171 178 H ALA 25 H ALA 25 -0.118 -6.368 10.966 179 HA ALA 25 HA ALA 25 -0.163 -8.223 8.745 180 HB1 ALA 25 1HB ALA 25 1.339 -8.943 10.330 181 HB2 ALA 25 2HB ALA 25 0.318 -8.449 11.681 182 HB3 ALA 25 3HB ALA 25 -0.085 -9.894 10.753 183 H GLY 26 H GLY 26 -2.129 -8.476 7.838 184 HA2 GLY 26 1HA GLY 26 -4.543 -8.491 9.418 185 HA3 GLY 26 2HA GLY 26 -4.428 -8.740 7.682 186 HA PRO 27 HA PRO 27 -5.482 -12.778 9.757 187 HB2 PRO 27 1HB PRO 27 -7.621 -13.324 8.176 188 HB3 PRO 27 2HB PRO 27 -7.741 -12.370 9.659 189 HG2 PRO 27 1HG PRO 27 -7.584 -11.441 6.818 190 HG3 PRO 27 2HG PRO 27 -8.622 -10.855 8.131 191 HD2 PRO 27 1HD PRO 27 -6.366 -9.565 7.371 192 HD3 PRO 27 2HD PRO 27 -6.947 -9.565 9.048 193 H GLU 28 H GLU 28 -6.359 -14.793 8.176 194 HA GLU 28 HA GLU 28 -4.153 -15.760 6.897 195 HB2 GLU 28 1HB GLU 28 -7.024 -16.313 6.128 196 HB3 GLU 28 2HB GLU 28 -5.642 -17.320 5.719 197 HG2 GLU 28 1HG GLU 28 -5.418 -18.126 7.850 198 HG3 GLU 28 2HG GLU 28 -6.172 -16.710 8.581 199 H GLN 29 H GLN 29 -6.514 -13.520 5.653 200 HA GLN 29 HA GLN 29 -6.332 -13.627 2.970 201 HB2 GLN 29 1HB GLN 29 -7.438 -11.848 4.485 202 HB3 GLN 29 2HB GLN 29 -5.915 -10.982 4.335 203 HG2 GLN 29 1HG GLN 29 -6.239 -10.501 2.128 204 HG3 GLN 29 2HG GLN 29 -7.254 -11.917 1.855 205 HE21 GLN 29 1HE2 GLN 29 -9.286 -11.786 3.428 206 HE22 GLN 29 2HE2 GLN 29 -10.165 -10.306 3.289 207 H LYS 30 H LYS 30 -4.954 -12.914 1.339 208 HA LYS 30 HA LYS 30 -2.139 -12.868 2.090 209 HB2 LYS 30 1HB LYS 30 -3.614 -13.263 -0.497 210 HB3 LYS 30 2HB LYS 30 -1.891 -12.911 -0.491 211 HG2 LYS 30 1HG LYS 30 -1.809 -15.178 -0.510 212 HG3 LYS 30 2HG LYS 30 -1.852 -14.912 1.235 213 HD2 LYS 30 1HD LYS 30 -4.468 -15.010 0.806 214 HD3 LYS 30 2HD LYS 30 -3.953 -15.966 -0.586 215 HE2 LYS 30 1HE LYS 30 -2.467 -17.155 1.261 216 HE3 LYS 30 2HE LYS 30 -3.744 -16.557 2.319 217 HZ1 LYS 30 1HZ LYS 30 -5.095 -17.642 0.226 218 HZ2 LYS 30 2HZ LYS 30 -4.842 -18.383 1.726 219 HZ3 LYS 30 3HZ LYS 30 -3.802 -18.713 0.433 220 H GLY 31 H GLY 31 -1.264 -10.954 2.535 221 HA2 GLY 31 1HA GLY 31 -0.482 -8.932 1.199 222 HA3 GLY 31 2HA GLY 31 -2.198 -8.602 1.018 223 H GLN 32 H GLN 32 -0.896 -6.590 2.037 224 HA GLN 32 HA GLN 32 -1.136 -6.785 4.962 225 HB2 GLN 32 1HB GLN 32 0.394 -4.850 3.221 226 HB3 GLN 32 2HB GLN 32 0.205 -4.652 4.958 227 HG2 GLN 32 1HG GLN 32 1.479 -7.037 3.636 228 HG3 GLN 32 2HG GLN 32 2.359 -5.662 4.301 229 HE21 GLN 32 1HE2 GLN 32 0.642 -8.562 4.988 230 HE22 GLN 32 2HE2 GLN 32 0.943 -8.597 6.688 231 H ILE 33 H ILE 33 -2.378 -5.329 6.107 232 HA ILE 33 HA ILE 33 -4.418 -3.950 4.534 233 HB ILE 33 HB ILE 33 -4.393 -4.253 7.529 234 HG12 ILE 33 1HG1 ILE 33 -5.756 -6.140 5.611 235 HG13 ILE 33 2HG1 ILE 33 -4.155 -6.461 6.269 236 HG21 ILE 33 1HG2 ILE 33 -6.864 -4.111 7.190 237 HG22 ILE 33 2HG2 ILE 33 -5.981 -2.652 6.746 238 HG23 ILE 33 3HG2 ILE 33 -6.553 -3.751 5.492 239 HD11 ILE 33 1HD1 ILE 33 -6.173 -7.522 7.418 240 HD12 ILE 33 2HD1 ILE 33 -4.971 -6.722 8.432 241 HD13 ILE 33 3HD1 ILE 33 -6.491 -5.910 8.057 242 H ILE 34 H ILE 34 -4.772 -1.779 4.594 243 HA ILE 34 HA ILE 34 -2.650 -0.161 5.794 244 HB ILE 34 HB ILE 34 -4.773 0.565 3.772 245 HG12 ILE 34 1HG1 ILE 34 -1.777 0.264 3.474 246 HG13 ILE 34 2HG1 ILE 34 -2.965 -0.925 2.952 247 HG21 ILE 34 1HG2 ILE 34 -3.795 2.719 3.608 248 HG22 ILE 34 2HG2 ILE 34 -4.072 2.420 5.323 249 HG23 ILE 34 3HG2 ILE 34 -2.449 2.262 4.651 250 HD11 ILE 34 1HD1 ILE 34 -1.968 0.710 1.229 251 HD12 ILE 34 2HD1 ILE 34 -3.704 0.395 1.207 252 HD13 ILE 34 3HD1 ILE 34 -3.086 1.878 1.933 253 H LYS 35 H LYS 35 -3.039 1.536 7.194 254 HA LYS 35 HA LYS 35 -5.673 2.336 7.959 255 HB2 LYS 35 1HB LYS 35 -5.316 1.604 10.392 256 HB3 LYS 35 2HB LYS 35 -5.818 0.375 9.239 257 HG2 LYS 35 1HG LYS 35 -3.508 -0.398 9.054 258 HG3 LYS 35 2HG LYS 35 -3.004 0.835 10.212 259 HD2 LYS 35 1HD LYS 35 -3.231 -1.008 11.577 260 HD3 LYS 35 2HD LYS 35 -4.824 -0.264 11.732 261 HE2 LYS 35 1HE LYS 35 -4.373 -2.282 9.586 262 HE3 LYS 35 2HE LYS 35 -4.564 -2.836 11.248 263 HZ1 LYS 35 1HZ LYS 35 -6.572 -0.984 10.797 264 HZ2 LYS 35 2HZ LYS 35 -6.739 -2.658 10.966 265 HZ3 LYS 35 3HZ LYS 35 -6.547 -1.979 9.429 266 H ASP 36 H ASP 36 -5.564 3.824 9.926 267 HA ASP 36 HA ASP 36 -4.746 5.718 10.884 268 HB2 ASP 36 1HB ASP 36 -2.233 4.087 10.612 269 HB3 ASP 36 2HB ASP 36 -2.194 5.716 11.281 270 H ILE 37 H ILE 37 -5.306 5.902 8.193 271 HA ILE 37 HA ILE 37 -3.178 7.007 6.672 272 HB ILE 37 HB ILE 37 -6.170 7.146 6.351 273 HG12 ILE 37 1HG1 ILE 37 -3.962 5.642 4.938 274 HG13 ILE 37 2HG1 ILE 37 -5.262 4.964 5.911 275 HG21 ILE 37 1HG2 ILE 37 -5.174 9.186 5.433 276 HG22 ILE 37 2HG2 ILE 37 -4.072 8.210 4.465 277 HG23 ILE 37 3HG2 ILE 37 -5.807 8.144 4.160 278 HD11 ILE 37 1HD1 ILE 37 -5.435 6.205 3.188 279 HD12 ILE 37 2HD1 ILE 37 -5.841 4.559 3.675 280 HD13 ILE 37 3HD1 ILE 37 -6.854 5.907 4.191 281 H GLU 38 H GLU 38 -2.356 9.001 6.642 282 HA GLU 38 HA GLU 38 -3.340 10.960 8.519 283 HB2 GLU 38 1HB GLU 38 -0.998 10.931 6.616 284 HB3 GLU 38 2HB GLU 38 -1.389 12.314 7.629 285 HG2 GLU 38 1HG GLU 38 -1.220 10.767 9.607 286 HG3 GLU 38 2HG GLU 38 -0.555 9.564 8.503 287 HA PRO 39 HA PRO 39 -5.838 13.270 5.728 288 HB2 PRO 39 1HB PRO 39 -5.775 15.677 6.981 289 HB3 PRO 39 2HB PRO 39 -6.701 14.300 7.591 290 HG2 PRO 39 1HG PRO 39 -4.012 15.301 8.444 291 HG3 PRO 39 2HG PRO 39 -5.366 14.744 9.443 292 HD2 PRO 39 1HD PRO 39 -3.227 13.180 8.886 293 HD3 PRO 39 2HD PRO 39 -4.859 12.520 9.112 294 H GLY 40 H GLY 40 -5.671 14.705 4.023 295 HA2 GLY 40 1HA GLY 40 -4.536 15.756 2.315 296 HA3 GLY 40 2HA GLY 40 -3.919 16.763 3.616 297 H SER 41 H SER 41 -3.143 13.417 3.732 298 HA SER 41 HA SER 41 -0.344 14.060 3.260 299 HB2 SER 41 1HB SER 41 0.186 12.120 4.428 300 HB3 SER 41 2HB SER 41 -1.333 12.588 5.192 301 HG SER 41 HG SER 41 -2.363 11.125 3.676 302 HA PRO 42 HA PRO 42 0.264 12.556 -0.802 303 HB2 PRO 42 1HB PRO 42 2.211 10.627 0.376 304 HB3 PRO 42 2HB PRO 42 2.424 11.768 -0.957 305 HG2 PRO 42 1HG PRO 42 3.431 12.261 1.477 306 HG3 PRO 42 2HG PRO 42 2.786 13.559 0.455 307 HD2 PRO 42 1HD PRO 42 1.647 12.319 2.882 308 HD3 PRO 42 2HD PRO 42 1.446 13.962 2.241 309 H ALA 43 H ALA 43 -0.295 10.275 1.794 310 HA ALA 43 HA ALA 43 -0.850 8.039 0.089 311 HB1 ALA 43 1HB ALA 43 -1.473 8.495 3.004 312 HB2 ALA 43 2HB ALA 43 -1.666 6.964 2.151 313 HB3 ALA 43 3HB ALA 43 -0.061 7.669 2.346 314 H GLU 44 H GLU 44 -2.820 10.385 1.878 315 HA GLU 44 HA GLU 44 -5.321 9.254 1.183 316 HB2 GLU 44 1HB GLU 44 -5.180 10.732 3.072 317 HB3 GLU 44 2HB GLU 44 -4.552 12.035 2.072 318 HG2 GLU 44 1HG GLU 44 -7.290 10.844 1.721 319 HG3 GLU 44 2HG GLU 44 -6.954 12.249 2.731 320 H ALA 45 H ALA 45 -3.417 11.904 -0.209 321 HA ALA 45 HA ALA 45 -5.292 12.581 -2.221 322 HB1 ALA 45 1HB ALA 45 -3.255 13.668 -3.302 323 HB2 ALA 45 2HB ALA 45 -3.710 14.231 -1.693 324 HB3 ALA 45 3HB ALA 45 -2.356 13.118 -1.887 325 H ALA 46 H ALA 46 -2.762 10.190 -2.006 326 HA ALA 46 HA ALA 46 -2.394 9.625 -4.722 327 HB1 ALA 46 1HB ALA 46 -0.878 8.754 -3.076 328 HB2 ALA 46 2HB ALA 46 -2.167 7.816 -2.322 329 HB3 ALA 46 3HB ALA 46 -1.609 7.403 -3.943 330 H GLY 47 H GLY 47 -5.001 8.866 -2.572 331 HA2 GLY 47 1HA GLY 47 -7.154 8.327 -3.528 332 HA3 GLY 47 2HA GLY 47 -6.318 7.412 -4.773 333 H LEU 48 H LEU 48 -4.961 6.943 -1.717 334 HA LEU 48 HA LEU 48 -5.591 4.203 -1.654 335 HB2 LEU 48 1HB LEU 48 -4.304 6.136 0.192 336 HB3 LEU 48 2HB LEU 48 -4.857 4.606 0.871 337 HG LEU 48 HG LEU 48 -2.832 4.976 -1.334 338 HD11 LEU 48 1HD1 LEU 48 -2.606 4.028 1.517 339 HD12 LEU 48 2HD1 LEU 48 -1.910 5.491 0.820 340 HD13 LEU 48 3HD1 LEU 48 -1.320 3.907 0.316 341 HD21 LEU 48 1HD2 LEU 48 -3.455 2.943 -2.006 342 HD22 LEU 48 2HD2 LEU 48 -4.477 2.697 -0.589 343 HD23 LEU 48 3HD2 LEU 48 -2.750 2.349 -0.502 344 H LYS 49 H LYS 49 -6.389 3.403 0.736 345 HA LYS 49 HA LYS 49 -8.669 4.820 1.734 346 HB2 LYS 49 1HB LYS 49 -9.022 2.521 -0.151 347 HB3 LYS 49 2HB LYS 49 -10.174 2.748 1.159 348 HG2 LYS 49 1HG LYS 49 -10.204 5.219 0.208 349 HG3 LYS 49 2HG LYS 49 -9.705 4.386 -1.266 350 HD2 LYS 49 1HD LYS 49 -12.021 4.377 -1.429 351 HD3 LYS 49 2HD LYS 49 -11.674 2.788 -0.743 352 HE2 LYS 49 1HE LYS 49 -12.050 3.825 1.528 353 HE3 LYS 49 2HE LYS 49 -12.663 5.247 0.685 354 HZ1 LYS 49 1HZ LYS 49 -14.416 3.973 -0.253 355 HZ2 LYS 49 2HZ LYS 49 -14.398 3.641 1.405 356 HZ3 LYS 49 3HZ LYS 49 -13.763 2.517 0.312 357 H ASN 50 H ASN 50 -9.127 4.199 3.775 358 HA ASN 50 HA ASN 50 -7.395 2.597 5.225 359 HB2 ASN 50 1HB ASN 50 -10.283 3.078 5.971 360 HB3 ASN 50 2HB ASN 50 -8.925 2.799 7.057 361 HD21 ASN 50 1HD2 ASN 50 -7.425 4.451 7.401 362 HD22 ASN 50 2HD2 ASN 50 -7.787 6.098 7.026 363 H ASN 51 H ASN 51 -7.388 0.491 5.910 364 HA ASN 51 HA ASN 51 -7.914 -1.728 6.015 365 HB2 ASN 51 1HB ASN 51 -10.569 -1.180 4.710 366 HB3 ASN 51 2HB ASN 51 -10.146 -2.450 5.855 367 HD21 ASN 51 1HD2 ASN 51 -12.239 -0.317 5.834 368 HD22 ASN 51 2HD2 ASN 51 -12.060 0.486 7.354 369 H ASP 52 H ASP 52 -6.731 -0.368 3.680 370 HA ASP 52 HA ASP 52 -7.655 -1.859 1.380 371 HB2 ASP 52 1HB ASP 52 -5.643 0.282 1.877 372 HB3 ASP 52 2HB ASP 52 -5.410 -0.747 0.466 373 H LEU 53 H LEU 53 -6.911 -3.767 0.723 374 HA LEU 53 HA LEU 53 -4.661 -4.955 2.162 375 HB2 LEU 53 1HB LEU 53 -6.778 -6.194 2.026 376 HB3 LEU 53 2HB LEU 53 -6.646 -6.208 0.269 377 HG LEU 53 HG LEU 53 -5.986 -8.315 1.645 378 HD11 LEU 53 1HD1 LEU 53 -5.344 -8.897 -0.393 379 HD12 LEU 53 2HD1 LEU 53 -3.794 -8.103 -0.119 380 HD13 LEU 53 3HD1 LEU 53 -5.130 -7.204 -0.838 381 HD21 LEU 53 1HD2 LEU 53 -4.394 -6.763 3.022 382 HD22 LEU 53 2HD2 LEU 53 -3.290 -7.037 1.674 383 HD23 LEU 53 3HD2 LEU 53 -3.900 -8.404 2.608 384 H VAL 54 H VAL 54 -2.707 -4.994 1.291 385 HA VAL 54 HA VAL 54 -2.419 -4.531 -1.589 386 HB VAL 54 HB VAL 54 -0.328 -4.418 0.589 387 HG11 VAL 54 1HG1 VAL 54 -0.046 -3.302 -2.177 388 HG12 VAL 54 2HG1 VAL 54 1.210 -3.689 -0.998 389 HG13 VAL 54 3HG1 VAL 54 0.352 -4.985 -1.832 390 HG21 VAL 54 1HG2 VAL 54 -0.719 -2.209 0.838 391 HG22 VAL 54 2HG2 VAL 54 -1.133 -1.981 -0.862 392 HG23 VAL 54 3HG2 VAL 54 -2.327 -2.641 0.255 393 H VAL 55 H VAL 55 -1.744 -6.072 -2.938 394 HA VAL 55 HA VAL 55 -0.832 -8.618 -1.777 395 HB VAL 55 HB VAL 55 -1.468 -9.580 -4.027 396 HG11 VAL 55 1HG1 VAL 55 -3.765 -9.828 -3.447 397 HG12 VAL 55 2HG1 VAL 55 -2.857 -9.703 -1.939 398 HG13 VAL 55 3HG1 VAL 55 -3.763 -8.315 -2.542 399 HG21 VAL 55 1HG2 VAL 55 -2.793 -6.887 -4.333 400 HG22 VAL 55 2HG2 VAL 55 -1.472 -7.520 -5.315 401 HG23 VAL 55 3HG2 VAL 55 -3.061 -8.282 -5.378 402 H ALA 56 H ALA 56 0.063 -5.990 -3.806 403 HA ALA 56 HA ALA 56 2.695 -7.184 -4.190 404 HB1 ALA 56 1HB ALA 56 2.221 -5.960 -6.642 405 HB2 ALA 56 2HB ALA 56 2.325 -7.691 -6.323 406 HB3 ALA 56 3HB ALA 56 0.757 -6.886 -6.309 407 H VAL 57 H VAL 57 4.359 -5.677 -4.490 408 HA VAL 57 HA VAL 57 3.613 -2.841 -4.328 409 HB VAL 57 HB VAL 57 5.667 -4.171 -2.554 410 HG11 VAL 57 1HG1 VAL 57 5.805 -1.646 -3.505 411 HG12 VAL 57 2HG1 VAL 57 4.834 -1.392 -2.053 412 HG13 VAL 57 3HG1 VAL 57 6.426 -2.143 -1.931 413 HG21 VAL 57 1HG2 VAL 57 3.345 -2.693 -1.458 414 HG22 VAL 57 2HG2 VAL 57 3.035 -4.286 -2.149 415 HG23 VAL 57 3HG2 VAL 57 4.189 -4.107 -0.828 416 H ASN 58 H ASN 58 4.755 -1.575 -5.653 417 HA ASN 58 HA ASN 58 6.247 -0.921 -7.241 418 HB2 ASN 58 1HB ASN 58 7.909 -2.337 -5.217 419 HB3 ASN 58 2HB ASN 58 8.665 -1.953 -6.760 420 HD21 ASN 58 1HD2 ASN 58 9.689 -0.838 -4.556 421 HD22 ASN 58 2HD2 ASN 58 9.310 0.846 -4.482 422 H GLY 59 H GLY 59 4.724 -3.451 -7.587 423 HA2 GLY 59 1HA GLY 59 4.510 -4.903 -9.376 424 HA3 GLY 59 2HA GLY 59 6.050 -4.316 -9.988 425 H LYS 60 H LYS 60 5.443 -5.713 -6.805 426 HA LYS 60 HA LYS 60 6.739 -8.203 -7.583 427 HB2 LYS 60 1HB LYS 60 7.816 -6.463 -5.357 428 HB3 LYS 60 2HB LYS 60 8.395 -8.068 -5.782 429 HG2 LYS 60 1HG LYS 60 8.409 -5.881 -7.817 430 HG3 LYS 60 2HG LYS 60 9.686 -5.983 -6.603 431 HD2 LYS 60 1HD LYS 60 10.203 -8.255 -7.321 432 HD3 LYS 60 2HD LYS 60 8.901 -8.188 -8.510 433 HE2 LYS 60 1HE LYS 60 10.037 -6.674 -9.853 434 HE3 LYS 60 2HE LYS 60 11.077 -6.134 -8.536 435 HZ1 LYS 60 1HZ LYS 60 12.589 -7.612 -9.141 436 HZ2 LYS 60 2HZ LYS 60 11.628 -8.066 -10.456 437 HZ3 LYS 60 3HZ LYS 60 11.485 -8.884 -8.982 438 H SER 61 H SER 61 5.874 -9.901 -6.561 439 HA SER 61 HA SER 61 3.606 -9.668 -4.956 440 HB2 SER 61 1HB SER 61 5.378 -12.093 -4.830 441 HB3 SER 61 2HB SER 61 3.617 -12.005 -4.815 442 HG SER 61 HG SER 61 3.737 -12.312 -6.880 443 H VAL 62 H VAL 62 3.380 -9.073 -2.914 444 HA VAL 62 HA VAL 62 5.643 -9.479 -1.067 445 HB VAL 62 HB VAL 62 5.095 -7.496 0.093 446 HG11 VAL 62 1HG1 VAL 62 4.570 -6.551 -2.685 447 HG12 VAL 62 2HG1 VAL 62 5.657 -5.898 -1.458 448 HG13 VAL 62 3HG1 VAL 62 6.090 -7.370 -2.328 449 HG21 VAL 62 1HG2 VAL 62 2.825 -7.368 0.358 450 HG22 VAL 62 2HG2 VAL 62 3.057 -6.129 -0.876 451 HG23 VAL 62 3HG2 VAL 62 2.495 -7.737 -1.335 452 H GLU 63 H GLU 63 2.194 -9.732 -1.564 453 HA GLU 63 HA GLU 63 1.103 -10.137 0.860 454 HB2 GLU 63 1HB GLU 63 -0.542 -11.457 -0.139 455 HB3 GLU 63 2HB GLU 63 0.088 -10.513 -1.481 456 HG2 GLU 63 1HG GLU 63 1.027 -13.294 -0.844 457 HG3 GLU 63 2HG GLU 63 -0.307 -12.946 -1.942 458 H ALA 64 H ALA 64 3.518 -12.131 -0.623 459 HA ALA 64 HA ALA 64 3.170 -14.380 1.126 460 HB1 ALA 64 1HB ALA 64 5.735 -13.910 -0.305 461 HB2 ALA 64 2HB ALA 64 4.825 -15.403 -0.074 462 HB3 ALA 64 3HB ALA 64 4.281 -14.213 -1.257 463 H LEU 65 H LEU 65 5.385 -11.621 0.958 464 HA LEU 65 HA LEU 65 7.058 -12.378 3.088 465 HB2 LEU 65 1HB LEU 65 6.424 -9.812 1.711 466 HB3 LEU 65 2HB LEU 65 7.343 -9.768 3.214 467 HG LEU 65 HG LEU 65 8.176 -11.342 0.782 468 HD11 LEU 65 1HD1 LEU 65 9.131 -8.632 1.694 469 HD12 LEU 65 2HD1 LEU 65 8.114 -8.940 0.287 470 HD13 LEU 65 3HD1 LEU 65 9.763 -9.564 0.336 471 HD21 LEU 65 1HD2 LEU 65 10.329 -11.446 1.904 472 HD22 LEU 65 2HD2 LEU 65 9.068 -12.136 2.926 473 HD23 LEU 65 3HD2 LEU 65 9.688 -10.518 3.259 474 H ASP 66 H ASP 66 7.217 -10.720 5.051 475 HA ASP 66 HA ASP 66 4.572 -10.766 6.343 476 HB2 ASP 66 1HB ASP 66 7.357 -11.111 7.424 477 HB3 ASP 66 2HB ASP 66 6.028 -10.644 8.481 478 H HIS 67 H HIS 67 4.618 -9.118 8.311 479 HA HIS 67 HA HIS 67 4.186 -6.617 7.467 480 HB2 HIS 67 1HB HIS 67 3.757 -7.146 9.754 481 HB3 HIS 67 2HB HIS 67 5.460 -7.469 10.067 482 HD1 HIS 67 1HD HIS 67 3.101 -5.065 10.892 483 HD2 HIS 67 2HD HIS 67 6.944 -4.814 9.334 484 HE1 HIS 67 1HE HIS 67 3.889 -2.736 11.418 485 HE2 HIS 67 2HE HIS 67 6.183 -2.579 10.391 486 H ASP 68 H ASP 68 7.364 -7.612 8.748 487 HA ASP 68 HA ASP 68 8.718 -5.253 8.099 488 HB2 ASP 68 1HB ASP 68 9.643 -8.085 8.535 489 HB3 ASP 68 2HB ASP 68 10.780 -6.802 8.129 490 H GLY 69 H GLY 69 8.736 -8.362 6.338 491 HA2 GLY 69 1HA GLY 69 10.250 -7.672 4.163 492 HA3 GLY 69 2HA GLY 69 8.896 -8.789 4.081 493 H VAL 70 H VAL 70 6.686 -7.483 4.188 494 HA VAL 70 HA VAL 70 6.396 -6.178 1.757 495 HB VAL 70 HB VAL 70 4.629 -5.867 4.189 496 HG11 VAL 70 1HG1 VAL 70 2.937 -5.669 2.153 497 HG12 VAL 70 2HG1 VAL 70 3.780 -4.265 2.810 498 HG13 VAL 70 3HG1 VAL 70 4.378 -5.050 1.347 499 HG21 VAL 70 1HG2 VAL 70 4.089 -7.752 1.935 500 HG22 VAL 70 2HG2 VAL 70 5.188 -8.227 3.230 501 HG23 VAL 70 3HG2 VAL 70 3.517 -7.804 3.603 502 H VAL 71 H VAL 71 6.541 -4.742 5.015 503 HA VAL 71 HA VAL 71 6.375 -2.062 4.192 504 HB VAL 71 HB VAL 71 7.534 -3.328 6.666 505 HG11 VAL 71 1HG1 VAL 71 7.516 -0.461 5.822 506 HG12 VAL 71 2HG1 VAL 71 7.352 -0.880 7.529 507 HG13 VAL 71 3HG1 VAL 71 8.783 -1.385 6.628 508 HG21 VAL 71 1HG2 VAL 71 5.195 -1.497 6.650 509 HG22 VAL 71 2HG2 VAL 71 4.977 -3.122 6.001 510 HG23 VAL 71 3HG2 VAL 71 5.525 -2.903 7.663 511 H GLU 72 H GLU 72 8.909 -4.319 3.916 512 HA GLU 72 HA GLU 72 11.071 -2.423 3.934 513 HB2 GLU 72 1HB GLU 72 11.139 -4.971 4.449 514 HB3 GLU 72 2HB GLU 72 11.234 -5.155 2.703 515 HG2 GLU 72 1HG GLU 72 13.447 -5.135 3.227 516 HG3 GLU 72 2HG GLU 72 13.182 -3.415 2.946 517 H MET 73 H MET 73 9.203 -4.144 1.470 518 HA MET 73 HA MET 73 10.624 -3.391 -0.791 519 HB2 MET 73 1HB MET 73 7.637 -3.763 -0.504 520 HB3 MET 73 2HB MET 73 8.512 -3.734 -2.029 521 HG2 MET 73 1HG MET 73 8.980 -5.739 0.164 522 HG3 MET 73 2HG MET 73 7.945 -6.006 -1.236 523 HE1 MET 73 1HE MET 73 10.242 -7.901 -3.298 524 HE2 MET 73 2HE MET 73 8.730 -7.768 -2.400 525 HE3 MET 73 3HE MET 73 9.043 -6.695 -3.765 526 H ILE 74 H ILE 74 8.174 -1.626 1.025 527 HA ILE 74 HA ILE 74 7.872 0.508 -0.812 528 HB ILE 74 HB ILE 74 7.365 0.411 2.163 529 HG12 ILE 74 1HG1 ILE 74 5.270 0.472 0.018 530 HG13 ILE 74 2HG1 ILE 74 6.058 -1.049 0.425 531 HG21 ILE 74 1HG2 ILE 74 7.371 2.636 0.330 532 HG22 ILE 74 2HG2 ILE 74 5.766 2.381 1.013 533 HG23 ILE 74 3HG2 ILE 74 7.150 2.622 2.080 534 HD11 ILE 74 1HD1 ILE 74 4.748 0.678 2.496 535 HD12 ILE 74 2HD1 ILE 74 3.867 -0.545 1.579 536 HD13 ILE 74 3HD1 ILE 74 5.215 -1.018 2.613 537 H ARG 75 H ARG 75 10.032 -0.043 1.917 538 HA ARG 75 HA ARG 75 11.113 2.571 2.019 539 HB2 ARG 75 1HB ARG 75 11.944 -0.105 3.066 540 HB3 ARG 75 2HB ARG 75 13.092 1.226 3.111 541 HG2 ARG 75 1HG ARG 75 11.445 2.555 4.384 542 HG3 ARG 75 2HG ARG 75 10.376 1.151 4.406 543 HD2 ARG 75 1HD ARG 75 11.643 1.335 6.486 544 HD3 ARG 75 2HD ARG 75 12.069 -0.131 5.603 545 HE ARG 75 HE ARG 75 13.877 1.842 4.852 546 HH11 ARG 75 2HH1 ARG 75 12.974 0.098 7.726 547 HH12 ARG 75 1HH1 ARG 75 14.552 0.190 8.436 548 HH21 ARG 75 2HH2 ARG 75 15.959 1.970 5.775 549 HH22 ARG 75 1HH2 ARG 75 16.249 1.257 7.325 550 H LYS 76 H LYS 76 11.629 -0.099 -0.084 551 HA LYS 76 HA LYS 76 14.204 0.872 -1.022 552 HB2 LYS 76 1HB LYS 76 12.504 -1.423 -2.017 553 HB3 LYS 76 2HB LYS 76 14.153 -1.072 -2.519 554 HG2 LYS 76 1HG LYS 76 14.759 -1.325 -0.045 555 HG3 LYS 76 2HG LYS 76 13.172 -2.078 0.126 556 HD2 LYS 76 1HD LYS 76 13.943 -3.538 -1.884 557 HD3 LYS 76 2HD LYS 76 15.562 -3.017 -1.411 558 HE2 LYS 76 1HE LYS 76 15.331 -4.969 -0.208 559 HE3 LYS 76 2HE LYS 76 14.807 -3.764 0.967 560 HZ1 LYS 76 1HZ LYS 76 12.526 -4.408 -0.370 561 HZ2 LYS 76 2HZ LYS 76 12.979 -4.993 1.151 562 HZ3 LYS 76 3HZ LYS 76 13.323 -5.895 -0.238 563 H GLY 77 H GLY 77 11.233 1.985 -1.433 564 HA2 GLY 77 1HA GLY 77 11.208 2.223 -4.329 565 HA3 GLY 77 2HA GLY 77 10.008 2.866 -3.217 566 H GLY 78 H GLY 78 12.411 4.006 -1.653 567 HA2 GLY 78 1HA GLY 78 13.792 5.879 -1.741 568 HA3 GLY 78 2HA GLY 78 13.398 6.057 -3.445 569 H ASP 79 H ASP 79 12.167 7.729 -3.976 570 HA ASP 79 HA ASP 79 10.954 9.321 -1.886 571 HB2 ASP 79 1HB ASP 79 12.236 10.255 -3.880 572 HB3 ASP 79 2HB ASP 79 10.827 9.843 -4.855 573 H GLN 80 H GLN 80 9.780 7.949 -4.966 574 HA GLN 80 HA GLN 80 7.097 7.805 -3.759 575 HB2 GLN 80 1HB GLN 80 6.132 8.172 -5.879 576 HB3 GLN 80 2HB GLN 80 7.451 9.329 -5.771 577 HG2 GLN 80 1HG GLN 80 8.859 7.828 -7.106 578 HG3 GLN 80 2HG GLN 80 7.508 6.704 -7.242 579 HE21 GLN 80 1HE2 GLN 80 5.584 7.458 -8.331 580 HE22 GLN 80 2HE2 GLN 80 5.725 8.633 -9.590 581 H THR 81 H THR 81 5.813 5.966 -4.177 582 HA THR 81 HA THR 81 7.137 3.663 -5.401 583 HB THR 81 HB THR 81 7.718 3.325 -3.116 584 HG1 THR 81 1HG THR 81 6.720 1.514 -4.281 585 HG21 THR 81 1HG2 THR 81 4.813 3.754 -2.409 586 HG22 THR 81 2HG2 THR 81 6.103 4.929 -2.150 587 HG23 THR 81 3HG2 THR 81 6.126 3.391 -1.289 588 H THR 82 H THR 82 5.709 1.987 -6.047 589 HA THR 82 HA THR 82 2.932 2.905 -6.356 590 HB THR 82 HB THR 82 4.361 0.783 -7.967 591 HG1 THR 82 1HG THR 82 5.314 2.767 -8.415 592 HG21 THR 82 1HG2 THR 82 1.978 0.488 -8.036 593 HG22 THR 82 2HG2 THR 82 2.484 1.211 -9.563 594 HG23 THR 82 3HG2 THR 82 1.725 2.209 -8.323 595 H LEU 83 H LEU 83 1.297 1.797 -5.474 596 HA LEU 83 HA LEU 83 1.907 -0.820 -4.264 597 HB2 LEU 83 1HB LEU 83 -0.390 0.808 -3.320 598 HB3 LEU 83 2HB LEU 83 0.637 -0.315 -2.432 599 HG LEU 83 HG LEU 83 1.208 2.550 -3.150 600 HD11 LEU 83 1HD1 LEU 83 0.408 1.082 -0.753 601 HD12 LEU 83 2HD1 LEU 83 0.261 2.796 -1.140 602 HD13 LEU 83 3HD1 LEU 83 1.781 2.161 -0.512 603 HD21 LEU 83 1HD2 LEU 83 3.258 1.299 -1.569 604 HD22 LEU 83 2HD2 LEU 83 3.401 2.212 -3.071 605 HD23 LEU 83 3HD2 LEU 83 3.083 0.477 -3.120 606 H LEU 84 H LEU 84 0.202 -2.394 -4.229 607 HA LEU 84 HA LEU 84 -1.877 -1.963 -6.267 608 HB2 LEU 84 1HB LEU 84 -0.066 -3.334 -7.181 609 HB3 LEU 84 2HB LEU 84 -0.256 -4.470 -5.847 610 HG LEU 84 HG LEU 84 -2.568 -4.938 -6.680 611 HD11 LEU 84 1HD1 LEU 84 -3.451 -3.959 -8.503 612 HD12 LEU 84 2HD1 LEU 84 -1.902 -3.873 -9.341 613 HD13 LEU 84 3HD1 LEU 84 -2.311 -2.670 -8.118 614 HD21 LEU 84 1HD2 LEU 84 -1.205 -6.645 -7.294 615 HD22 LEU 84 2HD2 LEU 84 -0.056 -5.585 -8.111 616 HD23 LEU 84 3HD2 LEU 84 -1.572 -6.019 -8.901 617 H VAL 85 H VAL 85 -3.691 -1.840 -5.091 618 HA VAL 85 HA VAL 85 -4.138 -3.877 -3.009 619 HB VAL 85 HB VAL 85 -5.648 -2.385 -1.914 620 HG11 VAL 85 1HG1 VAL 85 -4.148 -0.836 -1.085 621 HG12 VAL 85 2HG1 VAL 85 -3.071 -2.029 -1.813 622 HG13 VAL 85 3HG1 VAL 85 -3.431 -0.528 -2.666 623 HG21 VAL 85 1HG2 VAL 85 -5.849 0.003 -2.924 624 HG22 VAL 85 2HG2 VAL 85 -5.422 -0.795 -4.437 625 HG23 VAL 85 3HG2 VAL 85 -6.864 -1.296 -3.553 626 H LEU 86 H LEU 86 -6.312 -4.714 -2.788 627 HA LEU 86 HA LEU 86 -7.556 -5.117 -5.392 628 HB2 LEU 86 1HB LEU 86 -7.560 -6.533 -2.786 629 HB3 LEU 86 2HB LEU 86 -8.996 -6.692 -3.796 630 HG LEU 86 HG LEU 86 -7.429 -8.558 -4.092 631 HD11 LEU 86 1HD1 LEU 86 -7.631 -6.790 -6.525 632 HD12 LEU 86 2HD1 LEU 86 -8.898 -7.862 -5.930 633 HD13 LEU 86 3HD1 LEU 86 -7.376 -8.535 -6.515 634 HD21 LEU 86 1HD2 LEU 86 -5.523 -6.653 -5.405 635 HD22 LEU 86 2HD2 LEU 86 -5.251 -8.316 -4.884 636 HD23 LEU 86 3HD2 LEU 86 -5.401 -7.030 -3.686 637 H ASP 87 H ASP 87 -9.663 -4.614 -5.882 638 HA ASP 87 HA ASP 87 -10.999 -2.793 -3.994 639 HB2 ASP 87 1HB ASP 87 -10.246 -2.119 -6.438 640 HB3 ASP 87 2HB ASP 87 -11.753 -2.914 -6.883 641 H LYS 88 H LYS 88 -11.552 -5.447 -6.267 642 HA LYS 88 HA LYS 88 -14.305 -5.742 -5.395 643 HB2 LYS 88 1HB LYS 88 -13.729 -6.063 -7.766 644 HB3 LYS 88 2HB LYS 88 -12.668 -7.396 -7.328 645 HG2 LYS 88 1HG LYS 88 -15.511 -7.538 -6.481 646 HG3 LYS 88 2HG LYS 88 -15.128 -7.798 -8.185 647 HD2 LYS 88 1HD LYS 88 -13.790 -9.666 -7.712 648 HD3 LYS 88 2HD LYS 88 -13.661 -9.249 -6.002 649 HE2 LYS 88 1HE LYS 88 -15.164 -11.077 -6.146 650 HE3 LYS 88 2HE LYS 88 -16.140 -9.643 -5.833 651 HZ1 LYS 88 1HZ LYS 88 -15.700 -10.743 -8.550 652 HZ2 LYS 88 2HZ LYS 88 -16.820 -9.565 -8.084 653 HZ3 LYS 88 3HZ LYS 88 -17.021 -11.168 -7.582 654 H GLU 89 H GLU 89 -11.199 -7.076 -4.707 655 HA GLU 89 HA GLU 89 -12.367 -9.368 -3.312 656 HB2 GLU 89 1HB GLU 89 -9.478 -8.662 -3.853 657 HB3 GLU 89 2HB GLU 89 -10.028 -10.125 -3.049 658 HG2 GLU 89 1HG GLU 89 -10.823 -11.059 -4.982 659 HG3 GLU 89 2HG GLU 89 -11.082 -9.498 -5.758 660 H ALA 90 H ALA 90 -12.368 -6.423 -2.475 661 HA ALA 90 HA ALA 90 -10.922 -6.609 0.062 662 HB1 ALA 90 1HB ALA 90 -12.449 -4.165 -0.543 663 HB2 ALA 90 2HB ALA 90 -10.807 -4.359 0.071 664 HB3 ALA 90 3HB ALA 90 -11.130 -4.540 -1.653 665 H GLU 91 H GLU 91 -14.189 -6.183 -1.220 666 HA GLU 91 HA GLU 91 -16.208 -5.983 -0.090 667 HB2 GLU 91 1HB GLU 91 -16.913 -8.100 0.559 668 HB3 GLU 91 2HB GLU 91 -15.559 -8.459 -0.502 669 HG2 GLU 91 1HG GLU 91 -14.212 -8.397 1.761 670 HG3 GLU 91 2HG GLU 91 -15.798 -8.760 2.441 671 H SER 92 H SER 92 -14.199 -4.512 1.287 672 HA SER 92 HA SER 92 -14.307 -5.132 4.084 673 HB2 SER 92 1HB SER 92 -13.442 -2.578 2.705 674 HB3 SER 92 2HB SER 92 -13.131 -3.001 4.389 675 HG SER 92 HG SER 92 -11.321 -3.565 3.272 676 H ILE 93 H ILE 93 -16.676 -5.286 4.191 677 HA ILE 93 HA ILE 93 -18.158 -2.795 4.036 678 HB ILE 93 HB ILE 93 -19.101 -5.524 4.925 679 HG12 ILE 93 1HG1 ILE 93 -19.786 -4.289 2.286 680 HG13 ILE 93 2HG1 ILE 93 -18.228 -5.087 2.475 681 HG21 ILE 93 1HG2 ILE 93 -21.190 -3.950 3.871 682 HG22 ILE 93 2HG2 ILE 93 -20.974 -4.504 5.530 683 HG23 ILE 93 3HG2 ILE 93 -20.318 -2.946 5.029 684 HD11 ILE 93 1HD1 ILE 93 -19.837 -6.613 1.541 685 HD12 ILE 93 2HD1 ILE 93 -19.393 -7.137 3.165 686 HD13 ILE 93 3HD1 ILE 93 -20.936 -6.328 2.890 687 H TYR 94 H TYR 94 -16.021 -3.068 6.019 688 HA TYR 94 HA TYR 94 -17.605 -2.853 8.494 689 HB2 TYR 94 1HB TYR 94 -14.827 -3.834 7.963 690 HB3 TYR 94 2HB TYR 94 -15.206 -3.133 9.533 691 HD1 TYR 94 1HD TYR 94 -16.365 -5.751 7.147 692 HD2 TYR 94 2HD TYR 94 -16.145 -4.464 11.196 693 HE1 TYR 94 1HE TYR 94 -17.293 -7.909 7.877 694 HE2 TYR 94 2HE TYR 94 -17.071 -6.618 11.937 695 HH TYR 94 HH TYR 94 -18.716 -8.565 10.324 696 H SER 95 H SER 95 -17.599 -0.983 9.594 697 HA SER 95 HA SER 95 -15.742 1.126 8.704 698 HB2 SER 95 1HB SER 95 -18.076 1.523 7.939 699 HB3 SER 95 2HB SER 95 -18.602 1.513 9.622 700 HG SER 95 HG SER 95 -18.247 3.634 8.921 701 H LEU 96 H LEU 96 -17.904 0.213 11.388 702 HA LEU 96 HA LEU 96 -17.792 0.734 13.625 703 HB2 LEU 96 1HB LEU 96 -16.189 -1.225 13.095 704 HB3 LEU 96 2HB LEU 96 -14.911 -0.051 13.398 705 HG LEU 96 HG LEU 96 -15.913 0.298 15.678 706 HD11 LEU 96 1HD1 LEU 96 -17.938 -1.368 14.575 707 HD12 LEU 96 2HD1 LEU 96 -17.883 -0.592 16.157 708 HD13 LEU 96 3HD1 LEU 96 -17.200 -2.204 15.942 709 HD21 LEU 96 1HD2 LEU 96 -14.081 -1.497 14.812 710 HD22 LEU 96 2HD2 LEU 96 -15.239 -2.562 15.608 711 HD23 LEU 96 3HD2 LEU 96 -14.496 -1.239 16.507 712 H SER 97 H SER 97 -17.492 3.059 12.185 713 HA SER 97 HA SER 97 -15.874 4.621 14.021 714 HB2 SER 97 1HB SER 97 -14.556 5.725 12.364 715 HB3 SER 97 2HB SER 97 -14.389 3.996 12.060 716 HG SER 97 HG SER 97 -14.792 5.169 10.138 717 H GLY 98 H GLY 98 -16.842 6.497 14.513 718 HA2 GLY 98 1HA GLY 98 -18.083 8.363 13.064 719 HA3 GLY 98 2HA GLY 98 -19.336 7.134 13.155 720 HA PRO 99 HA PRO 99 -18.924 9.868 17.106 721 HB2 PRO 99 1HB PRO 99 -20.491 11.990 16.465 722 HB3 PRO 99 2HB PRO 99 -18.744 11.972 16.200 723 HG2 PRO 99 1HG PRO 99 -20.960 11.465 14.253 724 HG3 PRO 99 2HG PRO 99 -19.477 12.414 14.038 725 HD2 PRO 99 1HD PRO 99 -19.743 9.891 13.091 726 HD3 PRO 99 2HD PRO 99 -18.188 10.543 13.646 727 H SER 100 H SER 100 -20.339 9.311 18.642 728 HA SER 100 HA SER 100 -23.046 8.519 17.810 729 HB2 SER 100 1HB SER 100 -21.556 7.769 20.337 730 HB3 SER 100 2HB SER 100 -23.107 7.122 19.802 731 HG SER 100 HG SER 100 -20.543 6.532 18.945 732 H SER 101 H SER 101 -24.701 9.756 18.373 733 HA SER 101 HA SER 101 -24.284 11.866 20.353 734 HB2 SER 101 1HB SER 101 -26.471 11.432 18.307 735 HB3 SER 101 2HB SER 101 -26.441 12.773 19.452 736 HG SER 101 HG SER 101 -24.782 12.268 17.248 737 H GLY 102 H GLY 102 -25.542 12.120 22.174 738 HA2 GLY 102 1HA GLY 102 -27.104 11.591 23.800 739 HA3 GLY 102 2HA GLY 102 -27.791 10.402 22.704 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -11.551 -13.027 -14.763 2 HA2 GLY 1 1HA GLY 1 -10.030 -14.540 -13.937 3 HA3 GLY 1 2HA GLY 1 -10.336 -15.521 -15.363 4 H SER 2 H SER 2 -9.132 -15.063 -17.300 5 HA SER 2 HA SER 2 -6.406 -14.780 -16.904 6 HB2 SER 2 1HB SER 2 -8.142 -14.527 -19.345 7 HB3 SER 2 2HB SER 2 -6.404 -14.250 -19.448 8 HG SER 2 HG SER 2 -7.255 -16.557 -18.140 9 H SER 3 H SER 3 -8.515 -12.385 -18.504 10 HA SER 3 HA SER 3 -6.651 -10.290 -17.595 11 HB2 SER 3 1HB SER 3 -7.233 -9.004 -19.556 12 HB3 SER 3 2HB SER 3 -6.771 -10.625 -20.075 13 HG SER 3 HG SER 3 -8.761 -9.695 -21.007 14 H GLY 4 H GLY 4 -7.889 -8.043 -17.710 15 HA2 GLY 4 1HA GLY 4 -10.209 -7.143 -17.363 16 HA3 GLY 4 2HA GLY 4 -10.381 -8.419 -16.167 17 H SER 5 H SER 5 -10.965 -6.243 -15.038 18 HA SER 5 HA SER 5 -8.613 -4.833 -14.054 19 HB2 SER 5 1HB SER 5 -11.578 -4.384 -13.835 20 HB3 SER 5 2HB SER 5 -10.463 -3.542 -12.758 21 HG SER 5 HG SER 5 -9.372 -3.108 -14.974 22 H SER 6 H SER 6 -7.558 -6.202 -12.680 23 HA SER 6 HA SER 6 -9.070 -7.101 -10.314 24 HB2 SER 6 1HB SER 6 -8.307 -8.991 -11.704 25 HB3 SER 6 2HB SER 6 -6.645 -8.416 -11.565 26 HG SER 6 HG SER 6 -6.602 -8.988 -9.474 27 H GLY 7 H GLY 7 -8.578 -5.033 -9.348 28 HA2 GLY 7 1HA GLY 7 -7.315 -4.260 -7.470 29 HA3 GLY 7 2HA GLY 7 -5.893 -5.036 -8.151 30 H ARG 8 H ARG 8 -7.034 -2.135 -7.432 31 HA ARG 8 HA ARG 8 -6.398 -0.732 -9.881 32 HB2 ARG 8 1HB ARG 8 -6.879 1.301 -8.565 33 HB3 ARG 8 2HB ARG 8 -8.188 0.129 -8.488 34 HG2 ARG 8 1HG ARG 8 -7.301 -0.623 -6.289 35 HG3 ARG 8 2HG ARG 8 -6.132 0.696 -6.366 36 HD2 ARG 8 1HD ARG 8 -9.067 1.217 -6.668 37 HD3 ARG 8 2HD ARG 8 -8.337 1.055 -5.071 38 HE ARG 8 HE ARG 8 -6.911 2.912 -6.686 39 HH11 ARG 8 2HH1 ARG 8 -9.782 2.535 -4.754 40 HH12 ARG 8 1HH1 ARG 8 -9.904 4.221 -4.372 41 HH21 ARG 8 2HH2 ARG 8 -7.061 5.133 -6.190 42 HH22 ARG 8 1HH2 ARG 8 -8.356 5.698 -5.190 43 H VAL 9 H VAL 9 -4.766 0.954 -9.975 44 HA VAL 9 HA VAL 9 -2.358 0.182 -8.479 45 HB VAL 9 HB VAL 9 -2.642 1.722 -11.063 46 HG11 VAL 9 1HG1 VAL 9 -0.718 2.654 -10.271 47 HG12 VAL 9 2HG1 VAL 9 -0.329 1.264 -9.256 48 HG13 VAL 9 3HG1 VAL 9 -0.049 1.193 -10.997 49 HG21 VAL 9 1HG2 VAL 9 -1.092 -0.475 -11.555 50 HG22 VAL 9 2HG2 VAL 9 -2.261 -1.100 -10.392 51 HG23 VAL 9 3HG2 VAL 9 -2.820 -0.355 -11.890 52 H VAL 10 H VAL 10 -1.327 1.571 -7.160 53 HA VAL 10 HA VAL 10 -2.330 4.341 -7.038 54 HB VAL 10 HB VAL 10 -1.295 2.828 -4.649 55 HG11 VAL 10 1HG1 VAL 10 -1.231 5.193 -4.358 56 HG12 VAL 10 2HG1 VAL 10 -2.862 5.376 -5.006 57 HG13 VAL 10 3HG1 VAL 10 -2.613 4.588 -3.447 58 HG21 VAL 10 1HG2 VAL 10 -4.212 3.260 -5.181 59 HG22 VAL 10 2HG2 VAL 10 -3.385 1.823 -5.780 60 HG23 VAL 10 3HG2 VAL 10 -3.440 2.150 -4.048 61 H VAL 11 H VAL 11 -0.833 5.964 -6.480 62 HA VAL 11 HA VAL 11 1.996 5.184 -6.444 63 HB VAL 11 HB VAL 11 0.902 7.379 -8.208 64 HG11 VAL 11 1HG1 VAL 11 3.605 6.578 -7.357 65 HG12 VAL 11 2HG1 VAL 11 3.410 6.905 -9.080 66 HG13 VAL 11 3HG1 VAL 11 2.999 8.145 -7.894 67 HG21 VAL 11 1HG2 VAL 11 2.276 5.280 -9.604 68 HG22 VAL 11 2HG2 VAL 11 0.939 4.612 -8.668 69 HG23 VAL 11 3HG2 VAL 11 0.639 5.894 -9.841 70 H ILE 12 H ILE 12 2.911 6.045 -4.711 71 HA ILE 12 HA ILE 12 1.974 8.682 -3.784 72 HB ILE 12 HB ILE 12 3.092 6.525 -1.997 73 HG12 ILE 12 1HG1 ILE 12 0.191 7.297 -2.097 74 HG13 ILE 12 2HG1 ILE 12 0.821 6.059 -3.178 75 HG21 ILE 12 1HG2 ILE 12 1.894 7.991 -0.271 76 HG22 ILE 12 2HG2 ILE 12 3.401 8.595 -0.960 77 HG23 ILE 12 3HG2 ILE 12 1.855 9.218 -1.537 78 HD11 ILE 12 1HD1 ILE 12 1.257 5.897 -0.224 79 HD12 ILE 12 2HD1 ILE 12 -0.237 5.326 -0.969 80 HD13 ILE 12 3HD1 ILE 12 1.308 4.611 -1.430 81 H LYS 13 H LYS 13 3.564 10.005 -2.707 82 HA LYS 13 HA LYS 13 6.358 9.283 -3.228 83 HB2 LYS 13 1HB LYS 13 5.524 12.091 -3.782 84 HB3 LYS 13 2HB LYS 13 6.847 11.159 -4.470 85 HG2 LYS 13 1HG LYS 13 5.441 10.057 -5.978 86 HG3 LYS 13 2HG LYS 13 3.986 10.513 -5.090 87 HD2 LYS 13 1HD LYS 13 4.192 11.833 -7.122 88 HD3 LYS 13 2HD LYS 13 4.365 12.863 -5.698 89 HE2 LYS 13 1HE LYS 13 6.087 13.594 -7.065 90 HE3 LYS 13 2HE LYS 13 6.901 12.446 -6.004 91 HZ1 LYS 13 1HZ LYS 13 6.817 12.418 -8.774 92 HZ2 LYS 13 2HZ LYS 13 5.881 11.104 -8.268 93 HZ3 LYS 13 3HZ LYS 13 7.486 11.246 -7.754 94 H LYS 14 H LYS 14 7.352 9.362 -1.332 95 HA LYS 14 HA LYS 14 6.569 10.237 1.061 96 HB2 LYS 14 1HB LYS 14 8.893 9.295 0.207 97 HB3 LYS 14 2HB LYS 14 9.365 10.985 0.325 98 HG2 LYS 14 1HG LYS 14 8.484 10.913 2.703 99 HG3 LYS 14 2HG LYS 14 8.426 9.159 2.513 100 HD2 LYS 14 1HD LYS 14 10.913 9.546 1.674 101 HD3 LYS 14 2HD LYS 14 10.768 10.981 2.691 102 HE2 LYS 14 1HE LYS 14 9.785 9.205 4.399 103 HE3 LYS 14 2HE LYS 14 10.771 8.104 3.438 104 HZ1 LYS 14 1HZ LYS 14 11.581 10.122 5.326 105 HZ2 LYS 14 2HZ LYS 14 12.451 10.166 3.877 106 HZ3 LYS 14 3HZ LYS 14 12.407 8.745 4.794 107 H GLY 15 H GLY 15 6.465 12.109 2.267 108 HA2 GLY 15 1HA GLY 15 6.747 14.611 0.720 109 HA3 GLY 15 2HA GLY 15 5.529 14.357 1.962 110 H SER 16 H SER 16 5.957 15.063 3.951 111 HA SER 16 HA SER 16 8.721 15.887 4.537 112 HB2 SER 16 1HB SER 16 6.160 16.874 5.815 113 HB3 SER 16 2HB SER 16 7.782 17.511 6.088 114 HG SER 16 HG SER 16 6.772 17.422 3.474 115 H ASN 17 H ASN 17 5.815 14.668 6.208 116 HA ASN 17 HA ASN 17 7.385 13.702 8.425 117 HB2 ASN 17 1HB ASN 17 5.062 14.612 8.672 118 HB3 ASN 17 2HB ASN 17 4.465 13.187 7.827 119 HD21 ASN 17 1HD2 ASN 17 5.565 14.482 10.786 120 HD22 ASN 17 2HD2 ASN 17 5.398 13.050 11.739 121 H GLY 18 H GLY 18 5.368 12.190 5.902 122 HA2 GLY 18 1HA GLY 18 7.170 10.015 5.561 123 HA3 GLY 18 2HA GLY 18 5.799 9.532 6.549 124 H TYR 19 H TYR 19 4.644 8.250 5.235 125 HA TYR 19 HA TYR 19 4.135 9.116 2.486 126 HB2 TYR 19 1HB TYR 19 3.904 6.495 3.926 127 HB3 TYR 19 2HB TYR 19 3.017 6.756 2.429 128 HD1 TYR 19 2HD TYR 19 4.271 7.225 0.324 129 HD2 TYR 19 1HD TYR 19 6.246 6.087 3.916 130 HE1 TYR 19 2HE TYR 19 6.278 6.642 -0.972 131 HE2 TYR 19 1HE TYR 19 8.259 5.501 2.630 132 HH TYR 19 HH TYR 19 8.979 6.512 -0.220 133 H GLY 20 H GLY 20 2.320 7.888 5.301 134 HA2 GLY 20 1HA GLY 20 0.382 9.421 5.879 135 HA3 GLY 20 2HA GLY 20 -0.080 9.205 4.198 136 H PHE 21 H PHE 21 0.705 6.386 4.159 137 HA PHE 21 HA PHE 21 -1.564 5.313 5.698 138 HB2 PHE 21 1HB PHE 21 -1.943 3.733 3.993 139 HB3 PHE 21 2HB PHE 21 -1.592 5.229 3.134 140 HD1 PHE 21 1HD PHE 21 0.630 5.551 2.083 141 HD2 PHE 21 2HD PHE 21 -0.556 1.831 3.778 142 HE1 PHE 21 1HE PHE 21 2.424 4.417 0.839 143 HE2 PHE 21 2HE PHE 21 1.237 0.691 2.538 144 HZ PHE 21 HZ PHE 21 2.731 1.983 1.067 145 H TYR 22 H TYR 22 -1.353 3.300 6.735 146 HA TYR 22 HA TYR 22 1.438 2.490 7.229 147 HB2 TYR 22 1HB TYR 22 -0.932 2.342 9.105 148 HB3 TYR 22 2HB TYR 22 0.690 1.763 9.468 149 HD1 TYR 22 1HD TYR 22 -1.306 4.799 8.765 150 HD2 TYR 22 2HD TYR 22 2.376 3.245 10.223 151 HE1 TYR 22 1HE TYR 22 -0.706 7.030 9.608 152 HE2 TYR 22 2HE TYR 22 2.986 5.471 11.072 153 HH TYR 22 HH TYR 22 1.548 7.612 11.824 154 H LEU 23 H LEU 23 1.617 0.180 8.014 155 HA LEU 23 HA LEU 23 -0.333 -1.559 6.663 156 HB2 LEU 23 1HB LEU 23 2.668 -1.660 6.514 157 HB3 LEU 23 2HB LEU 23 1.648 -3.032 6.089 158 HG LEU 23 HG LEU 23 1.595 -0.339 4.728 159 HD11 LEU 23 1HD1 LEU 23 3.631 -1.992 4.485 160 HD12 LEU 23 2HD1 LEU 23 2.955 -1.158 3.086 161 HD13 LEU 23 3HD1 LEU 23 2.521 -2.837 3.406 162 HD21 LEU 23 1HD2 LEU 23 0.465 -2.391 3.159 163 HD22 LEU 23 2HD2 LEU 23 -0.343 -0.994 3.871 164 HD23 LEU 23 3HD2 LEU 23 -0.257 -2.513 4.764 165 H ARG 24 H ARG 24 -0.853 -3.436 7.696 166 HA ARG 24 HA ARG 24 0.642 -4.161 10.109 167 HB2 ARG 24 1HB ARG 24 -1.467 -2.689 10.537 168 HB3 ARG 24 2HB ARG 24 -2.357 -4.161 10.173 169 HG2 ARG 24 1HG ARG 24 -1.015 -5.298 11.961 170 HG3 ARG 24 2HG ARG 24 -0.392 -3.706 12.400 171 HD2 ARG 24 1HD ARG 24 -2.756 -2.954 12.698 172 HD3 ARG 24 2HD ARG 24 -3.262 -4.625 12.450 173 HE ARG 24 HE ARG 24 -1.450 -4.807 14.456 174 HH11 ARG 24 2HH1 ARG 24 -4.305 -2.877 13.961 175 HH12 ARG 24 1HH1 ARG 24 -4.687 -2.775 15.647 176 HH21 ARG 24 2HH2 ARG 24 -1.942 -4.680 16.679 177 HH22 ARG 24 1HH2 ARG 24 -3.342 -3.801 17.193 178 H ALA 25 H ALA 25 0.813 -6.315 10.448 179 HA ALA 25 HA ALA 25 0.422 -8.137 8.415 180 HB1 ALA 25 1HB ALA 25 0.437 -9.827 10.447 181 HB2 ALA 25 2HB ALA 25 1.883 -8.931 9.977 182 HB3 ALA 25 3HB ALA 25 0.905 -8.377 11.336 183 H GLY 26 H GLY 26 -1.507 -8.449 7.460 184 HA2 GLY 26 1HA GLY 26 -3.982 -8.421 8.897 185 HA3 GLY 26 2HA GLY 26 -3.764 -8.848 7.207 186 HA PRO 27 HA PRO 27 -4.775 -12.635 9.816 187 HB2 PRO 27 1HB PRO 27 -7.118 -13.241 8.586 188 HB3 PRO 27 2HB PRO 27 -7.019 -12.171 9.989 189 HG2 PRO 27 1HG PRO 27 -7.231 -11.472 7.086 190 HG3 PRO 27 2HG PRO 27 -8.071 -10.756 8.474 191 HD2 PRO 27 1HD PRO 27 -5.916 -9.594 7.316 192 HD3 PRO 27 2HD PRO 27 -6.264 -9.446 9.051 193 H GLU 28 H GLU 28 -5.794 -14.777 8.611 194 HA GLU 28 HA GLU 28 -3.873 -15.959 7.169 195 HB2 GLU 28 1HB GLU 28 -5.551 -17.456 6.205 196 HB3 GLU 28 2HB GLU 28 -5.898 -17.123 7.896 197 HG2 GLU 28 1HG GLU 28 -7.442 -15.267 6.941 198 HG3 GLU 28 2HG GLU 28 -7.342 -16.206 5.453 199 H GLN 29 H GLN 29 -6.188 -13.652 5.920 200 HA GLN 29 HA GLN 29 -5.974 -13.998 3.203 201 HB2 GLN 29 1HB GLN 29 -6.123 -11.403 4.744 202 HB3 GLN 29 2HB GLN 29 -6.397 -11.549 3.013 203 HG2 GLN 29 1HG GLN 29 -8.030 -12.807 5.205 204 HG3 GLN 29 2HG GLN 29 -8.501 -11.455 4.176 205 HE21 GLN 29 1HE2 GLN 29 -9.716 -14.112 4.592 206 HE22 GLN 29 2HE2 GLN 29 -9.840 -14.813 3.018 207 H LYS 30 H LYS 30 -4.591 -13.312 1.592 208 HA LYS 30 HA LYS 30 -1.842 -12.894 2.426 209 HB2 LYS 30 1HB LYS 30 -3.214 -13.681 -0.096 210 HB3 LYS 30 2HB LYS 30 -1.642 -12.906 -0.234 211 HG2 LYS 30 1HG LYS 30 -1.060 -15.123 -0.175 212 HG3 LYS 30 2HG LYS 30 -0.918 -14.682 1.528 213 HD2 LYS 30 1HD LYS 30 -3.455 -15.427 1.563 214 HD3 LYS 30 2HD LYS 30 -2.951 -16.371 0.158 215 HE2 LYS 30 1HE LYS 30 -0.951 -17.005 1.783 216 HE3 LYS 30 2HE LYS 30 -2.156 -16.619 3.010 217 HZ1 LYS 30 1HZ LYS 30 -2.672 -18.504 0.782 218 HZ2 LYS 30 2HZ LYS 30 -3.598 -18.273 2.178 219 HZ3 LYS 30 3HZ LYS 30 -2.074 -18.999 2.286 220 H GLY 31 H GLY 31 -0.995 -10.938 2.655 221 HA2 GLY 31 1HA GLY 31 -0.429 -8.883 1.346 222 HA3 GLY 31 2HA GLY 31 -2.158 -8.727 1.074 223 H GLN 32 H GLN 32 -0.341 -6.821 2.302 224 HA GLN 32 HA GLN 32 -0.886 -6.844 5.130 225 HB2 GLN 32 1HB GLN 32 0.246 -4.627 3.415 226 HB3 GLN 32 2HB GLN 32 0.286 -4.707 5.171 227 HG2 GLN 32 1HG GLN 32 1.656 -6.628 3.302 228 HG3 GLN 32 2HG GLN 32 2.432 -5.303 4.168 229 HE21 GLN 32 1HE2 GLN 32 2.114 -5.363 6.578 230 HE22 GLN 32 2HE2 GLN 32 2.238 -6.907 7.343 231 H ILE 33 H ILE 33 -1.953 -5.008 6.215 232 HA ILE 33 HA ILE 33 -4.293 -4.110 4.668 233 HB ILE 33 HB ILE 33 -4.166 -4.276 7.671 234 HG12 ILE 33 1HG1 ILE 33 -4.834 -6.402 5.654 235 HG13 ILE 33 2HG1 ILE 33 -3.813 -6.520 7.083 236 HG21 ILE 33 1HG2 ILE 33 -5.938 -2.989 6.145 237 HG22 ILE 33 2HG2 ILE 33 -6.668 -4.593 6.125 238 HG23 ILE 33 3HG2 ILE 33 -6.378 -3.775 7.660 239 HD11 ILE 33 1HD1 ILE 33 -6.680 -6.924 6.787 240 HD12 ILE 33 2HD1 ILE 33 -5.566 -7.518 8.019 241 HD13 ILE 33 3HD1 ILE 33 -6.248 -5.898 8.154 242 H ILE 34 H ILE 34 -4.948 -1.983 4.770 243 HA ILE 34 HA ILE 34 -2.936 -0.113 5.798 244 HB ILE 34 HB ILE 34 -5.162 0.282 3.798 245 HG12 ILE 34 1HG1 ILE 34 -2.148 0.266 3.538 246 HG13 ILE 34 2HG1 ILE 34 -3.260 -0.943 2.906 247 HG21 ILE 34 1HG2 ILE 34 -3.530 2.491 3.648 248 HG22 ILE 34 2HG2 ILE 34 -5.116 2.426 4.415 249 HG23 ILE 34 3HG2 ILE 34 -3.659 2.205 5.384 250 HD11 ILE 34 1HD1 ILE 34 -3.429 0.193 1.023 251 HD12 ILE 34 2HD1 ILE 34 -4.036 1.596 1.904 252 HD13 ILE 34 3HD1 ILE 34 -2.303 1.395 1.652 253 H LYS 35 H LYS 35 -3.445 1.557 7.178 254 HA LYS 35 HA LYS 35 -6.077 2.247 7.955 255 HB2 LYS 35 1HB LYS 35 -5.900 1.413 10.328 256 HB3 LYS 35 2HB LYS 35 -6.168 0.168 9.114 257 HG2 LYS 35 1HG LYS 35 -3.523 0.056 9.183 258 HG3 LYS 35 2HG LYS 35 -3.793 0.694 10.806 259 HD2 LYS 35 1HD LYS 35 -5.258 -1.715 9.761 260 HD3 LYS 35 2HD LYS 35 -3.691 -1.839 10.563 261 HE2 LYS 35 1HE LYS 35 -5.652 -2.197 12.066 262 HE3 LYS 35 2HE LYS 35 -4.570 -0.903 12.577 263 HZ1 LYS 35 1HZ LYS 35 -7.136 -0.549 12.544 264 HZ2 LYS 35 2HZ LYS 35 -6.883 -0.233 10.902 265 HZ3 LYS 35 3HZ LYS 35 -6.098 0.701 12.073 266 H ASP 36 H ASP 36 -6.105 3.834 9.716 267 HA ASP 36 HA ASP 36 -5.303 5.640 10.851 268 HB2 ASP 36 1HB ASP 36 -3.578 3.824 11.600 269 HB3 ASP 36 2HB ASP 36 -2.480 4.682 10.522 270 H ILE 37 H ILE 37 -5.707 5.760 8.069 271 HA ILE 37 HA ILE 37 -3.596 6.910 6.628 272 HB ILE 37 HB ILE 37 -6.573 7.298 6.315 273 HG12 ILE 37 1HG1 ILE 37 -4.625 5.555 4.791 274 HG13 ILE 37 2HG1 ILE 37 -5.731 4.980 6.034 275 HG21 ILE 37 1HG2 ILE 37 -5.367 9.157 5.304 276 HG22 ILE 37 2HG2 ILE 37 -4.344 8.026 4.420 277 HG23 ILE 37 3HG2 ILE 37 -6.069 8.117 4.064 278 HD11 ILE 37 1HD1 ILE 37 -6.418 6.110 3.339 279 HD12 ILE 37 2HD1 ILE 37 -6.704 4.477 3.942 280 HD13 ILE 37 3HD1 ILE 37 -7.609 5.835 4.610 281 H GLU 38 H GLU 38 -2.853 8.963 6.398 282 HA GLU 38 HA GLU 38 -3.830 10.923 8.346 283 HB2 GLU 38 1HB GLU 38 -1.277 10.938 6.726 284 HB3 GLU 38 2HB GLU 38 -1.702 12.073 7.999 285 HG2 GLU 38 1HG GLU 38 -1.516 10.421 9.672 286 HG3 GLU 38 2HG GLU 38 -1.455 9.121 8.483 287 HA PRO 39 HA PRO 39 -5.721 13.379 5.221 288 HB2 PRO 39 1HB PRO 39 -5.708 15.774 6.498 289 HB3 PRO 39 2HB PRO 39 -6.802 14.457 6.937 290 HG2 PRO 39 1HG PRO 39 -4.224 15.284 8.216 291 HG3 PRO 39 2HG PRO 39 -5.752 14.811 8.982 292 HD2 PRO 39 1HD PRO 39 -3.652 13.117 8.749 293 HD3 PRO 39 2HD PRO 39 -5.337 12.560 8.707 294 H GLY 40 H GLY 40 -5.263 14.985 3.672 295 HA2 GLY 40 1HA GLY 40 -3.824 15.978 2.167 296 HA3 GLY 40 2HA GLY 40 -3.266 16.839 3.593 297 H SER 41 H SER 41 -2.870 13.415 3.513 298 HA SER 41 HA SER 41 0.027 13.790 3.321 299 HB2 SER 41 1HB SER 41 0.272 11.746 4.476 300 HB3 SER 41 2HB SER 41 -1.111 12.521 5.247 301 HG SER 41 HG SER 41 -2.358 11.230 3.602 302 HA PRO 42 HA PRO 42 0.767 12.093 -0.641 303 HB2 PRO 42 1HB PRO 42 2.362 9.972 0.721 304 HB3 PRO 42 2HB PRO 42 2.816 11.041 -0.611 305 HG2 PRO 42 1HG PRO 42 3.688 11.472 1.886 306 HG3 PRO 42 2HG PRO 42 3.290 12.811 0.794 307 HD2 PRO 42 1HD PRO 42 1.823 11.787 3.145 308 HD3 PRO 42 2HD PRO 42 1.878 13.424 2.461 309 H ALA 43 H ALA 43 -0.299 9.990 1.940 310 HA ALA 43 HA ALA 43 -1.007 7.803 0.213 311 HB1 ALA 43 1HB ALA 43 -0.425 7.220 2.429 312 HB2 ALA 43 2HB ALA 43 -1.558 8.387 3.112 313 HB3 ALA 43 3HB ALA 43 -2.162 6.948 2.288 314 H GLU 44 H GLU 44 -2.907 10.104 2.174 315 HA GLU 44 HA GLU 44 -5.413 9.354 1.156 316 HB2 GLU 44 1HB GLU 44 -5.034 10.690 3.230 317 HB3 GLU 44 2HB GLU 44 -4.617 12.068 2.221 318 HG2 GLU 44 1HG GLU 44 -6.814 12.499 2.699 319 HG3 GLU 44 2HG GLU 44 -6.952 11.655 1.157 320 H ALA 45 H ALA 45 -3.106 11.818 0.113 321 HA ALA 45 HA ALA 45 -4.721 13.047 -1.832 322 HB1 ALA 45 1HB ALA 45 -2.718 14.038 -2.672 323 HB2 ALA 45 2HB ALA 45 -2.584 13.957 -0.915 324 HB3 ALA 45 3HB ALA 45 -1.721 12.792 -1.919 325 H ALA 46 H ALA 46 -2.702 10.178 -1.921 326 HA ALA 46 HA ALA 46 -2.688 9.838 -4.733 327 HB1 ALA 46 1HB ALA 46 -1.553 7.896 -4.351 328 HB2 ALA 46 2HB ALA 46 -1.278 8.704 -2.807 329 HB3 ALA 46 3HB ALA 46 -2.530 7.470 -2.945 330 H GLY 47 H GLY 47 -4.983 9.044 -2.235 331 HA2 GLY 47 1HA GLY 47 -7.304 8.769 -2.845 332 HA3 GLY 47 2HA GLY 47 -6.772 7.970 -4.318 333 H LEU 48 H LEU 48 -5.150 7.163 -1.389 334 HA LEU 48 HA LEU 48 -5.739 4.427 -1.601 335 HB2 LEU 48 1HB LEU 48 -4.455 6.178 0.418 336 HB3 LEU 48 2HB LEU 48 -4.984 4.583 0.951 337 HG LEU 48 HG LEU 48 -2.905 5.266 -1.111 338 HD11 LEU 48 1HD1 LEU 48 -2.069 5.219 1.124 339 HD12 LEU 48 2HD1 LEU 48 -1.553 3.736 0.322 340 HD13 LEU 48 3HD1 LEU 48 -2.899 3.699 1.461 341 HD21 LEU 48 1HD2 LEU 48 -4.522 2.791 -0.787 342 HD22 LEU 48 2HD2 LEU 48 -2.807 2.631 -1.167 343 HD23 LEU 48 3HD2 LEU 48 -3.870 3.534 -2.247 344 H LYS 49 H LYS 49 -6.638 3.196 0.400 345 HA LYS 49 HA LYS 49 -9.049 4.518 1.428 346 HB2 LYS 49 1HB LYS 49 -8.891 2.004 -0.185 347 HB3 LYS 49 2HB LYS 49 -10.124 2.140 1.062 348 HG2 LYS 49 1HG LYS 49 -9.874 4.396 -0.837 349 HG3 LYS 49 2HG LYS 49 -10.537 2.881 -1.455 350 HD2 LYS 49 1HD LYS 49 -12.212 2.892 0.335 351 HD3 LYS 49 2HD LYS 49 -11.550 4.411 0.942 352 HE2 LYS 49 1HE LYS 49 -12.530 4.127 -1.882 353 HE3 LYS 49 2HE LYS 49 -13.625 4.520 -0.557 354 HZ1 LYS 49 1HZ LYS 49 -12.611 6.435 -1.863 355 HZ2 LYS 49 2HZ LYS 49 -11.172 6.094 -1.042 356 HZ3 LYS 49 3HZ LYS 49 -12.556 6.536 -0.175 357 H ASN 50 H ASN 50 -9.699 3.876 3.458 358 HA ASN 50 HA ASN 50 -7.715 2.732 5.135 359 HB2 ASN 50 1HB ASN 50 -10.634 3.304 5.701 360 HB3 ASN 50 2HB ASN 50 -9.415 2.930 6.916 361 HD21 ASN 50 1HD2 ASN 50 -7.789 4.445 7.352 362 HD22 ASN 50 2HD2 ASN 50 -7.970 6.110 6.928 363 H ASN 51 H ASN 51 -7.442 0.702 5.861 364 HA ASN 51 HA ASN 51 -7.801 -1.521 6.253 365 HB2 ASN 51 1HB ASN 51 -10.611 -1.231 5.202 366 HB3 ASN 51 2HB ASN 51 -9.991 -2.411 6.354 367 HD21 ASN 51 1HD2 ASN 51 -11.200 0.779 5.895 368 HD22 ASN 51 2HD2 ASN 51 -11.290 1.218 7.563 369 H ASP 52 H ASP 52 -6.950 -0.341 3.692 370 HA ASP 52 HA ASP 52 -8.018 -1.905 1.563 371 HB2 ASP 52 1HB ASP 52 -5.724 -0.035 1.906 372 HB3 ASP 52 2HB ASP 52 -5.675 -1.145 0.540 373 H LEU 53 H LEU 53 -6.596 -3.367 0.232 374 HA LEU 53 HA LEU 53 -4.883 -5.030 1.955 375 HB2 LEU 53 1HB LEU 53 -7.215 -5.946 1.464 376 HB3 LEU 53 2HB LEU 53 -6.658 -6.147 -0.196 377 HG LEU 53 HG LEU 53 -4.920 -7.690 0.574 378 HD11 LEU 53 1HD1 LEU 53 -5.877 -8.269 3.188 379 HD12 LEU 53 2HD1 LEU 53 -5.496 -6.550 3.098 380 HD13 LEU 53 3HD1 LEU 53 -4.268 -7.747 2.689 381 HD21 LEU 53 1HD2 LEU 53 -6.894 -8.756 -0.119 382 HD22 LEU 53 2HD2 LEU 53 -7.769 -8.267 1.332 383 HD23 LEU 53 3HD2 LEU 53 -6.502 -9.491 1.436 384 H VAL 54 H VAL 54 -2.908 -4.531 1.185 385 HA VAL 54 HA VAL 54 -2.454 -4.289 -1.677 386 HB VAL 54 HB VAL 54 -0.435 -4.086 0.559 387 HG11 VAL 54 1HG1 VAL 54 0.086 -4.406 -2.051 388 HG12 VAL 54 2HG1 VAL 54 -0.102 -2.652 -2.002 389 HG13 VAL 54 3HG1 VAL 54 1.097 -3.440 -0.976 390 HG21 VAL 54 1HG2 VAL 54 -2.534 -2.443 0.367 391 HG22 VAL 54 2HG2 VAL 54 -0.936 -1.895 0.875 392 HG23 VAL 54 3HG2 VAL 54 -1.460 -1.660 -0.792 393 H VAL 55 H VAL 55 -2.145 -6.071 -2.831 394 HA VAL 55 HA VAL 55 -0.995 -8.444 -1.572 395 HB VAL 55 HB VAL 55 -1.599 -9.558 -3.747 396 HG11 VAL 55 1HG1 VAL 55 -3.297 -10.155 -2.437 397 HG12 VAL 55 2HG1 VAL 55 -3.348 -8.570 -1.662 398 HG13 VAL 55 3HG1 VAL 55 -4.216 -8.843 -3.174 399 HG21 VAL 55 1HG2 VAL 55 -1.593 -7.457 -5.084 400 HG22 VAL 55 2HG2 VAL 55 -3.044 -8.436 -5.299 401 HG23 VAL 55 3HG2 VAL 55 -3.095 -6.996 -4.282 402 H ALA 56 H ALA 56 -0.223 -5.959 -3.860 403 HA ALA 56 HA ALA 56 2.464 -7.085 -4.135 404 HB1 ALA 56 1HB ALA 56 2.532 -6.786 -6.508 405 HB2 ALA 56 2HB ALA 56 1.123 -7.774 -6.119 406 HB3 ALA 56 3HB ALA 56 0.921 -6.067 -6.514 407 H VAL 57 H VAL 57 4.092 -5.554 -4.540 408 HA VAL 57 HA VAL 57 3.280 -2.732 -4.491 409 HB VAL 57 HB VAL 57 5.441 -3.876 -2.718 410 HG11 VAL 57 1HG1 VAL 57 5.990 -1.769 -2.115 411 HG12 VAL 57 2HG1 VAL 57 5.340 -1.379 -3.709 412 HG13 VAL 57 3HG1 VAL 57 4.336 -1.178 -2.272 413 HG21 VAL 57 1HG2 VAL 57 3.987 -4.046 -1.012 414 HG22 VAL 57 2HG2 VAL 57 3.099 -2.599 -1.491 415 HG23 VAL 57 3HG2 VAL 57 2.772 -4.138 -2.288 416 H ASN 58 H ASN 58 4.413 -1.467 -5.837 417 HA ASN 58 HA ASN 58 5.869 -0.847 -7.471 418 HB2 ASN 58 1HB ASN 58 7.578 -2.205 -5.444 419 HB3 ASN 58 2HB ASN 58 8.303 -1.838 -7.007 420 HD21 ASN 58 1HD2 ASN 58 9.356 -0.672 -4.848 421 HD22 ASN 58 2HD2 ASN 58 8.956 1.008 -4.792 422 H GLY 59 H GLY 59 4.359 -3.391 -7.733 423 HA2 GLY 59 1HA GLY 59 4.129 -4.876 -9.496 424 HA3 GLY 59 2HA GLY 59 5.672 -4.316 -10.123 425 H LYS 60 H LYS 60 5.453 -5.391 -6.837 426 HA LYS 60 HA LYS 60 6.659 -7.970 -7.581 427 HB2 LYS 60 1HB LYS 60 7.605 -6.075 -5.425 428 HB3 LYS 60 2HB LYS 60 8.171 -7.731 -5.602 429 HG2 LYS 60 1HG LYS 60 8.418 -5.669 -7.776 430 HG3 LYS 60 2HG LYS 60 9.665 -5.955 -6.559 431 HD2 LYS 60 1HD LYS 60 10.103 -8.112 -7.346 432 HD3 LYS 60 2HD LYS 60 8.573 -8.202 -8.221 433 HE2 LYS 60 1HE LYS 60 10.330 -7.911 -9.818 434 HE3 LYS 60 2HE LYS 60 9.413 -6.408 -9.733 435 HZ1 LYS 60 1HZ LYS 60 11.183 -5.683 -8.075 436 HZ2 LYS 60 2HZ LYS 60 11.628 -5.745 -9.705 437 HZ3 LYS 60 3HZ LYS 60 12.102 -6.981 -8.652 438 H SER 61 H SER 61 6.238 -9.701 -6.198 439 HA SER 61 HA SER 61 3.743 -9.587 -4.836 440 HB2 SER 61 1HB SER 61 4.448 -11.964 -4.113 441 HB3 SER 61 2HB SER 61 4.225 -11.662 -5.836 442 HG SER 61 HG SER 61 6.178 -12.431 -5.973 443 H VAL 62 H VAL 62 3.414 -8.787 -2.880 444 HA VAL 62 HA VAL 62 5.585 -8.970 -0.894 445 HB VAL 62 HB VAL 62 4.965 -6.930 0.047 446 HG11 VAL 62 1HG1 VAL 62 5.505 -7.048 -2.683 447 HG12 VAL 62 2HG1 VAL 62 4.201 -5.869 -2.526 448 HG13 VAL 62 3HG1 VAL 62 5.700 -5.654 -1.621 449 HG21 VAL 62 1HG2 VAL 62 2.368 -7.149 -1.470 450 HG22 VAL 62 2HG2 VAL 62 2.595 -7.305 0.272 451 HG23 VAL 62 3HG2 VAL 62 2.858 -5.749 -0.515 452 H GLU 63 H GLU 63 2.334 -9.761 -1.648 453 HA GLU 63 HA GLU 63 1.168 -10.002 0.864 454 HB2 GLU 63 1HB GLU 63 -0.497 -11.253 -0.158 455 HB3 GLU 63 2HB GLU 63 0.169 -10.351 -1.512 456 HG2 GLU 63 1HG GLU 63 1.012 -13.149 -0.815 457 HG3 GLU 63 2HG GLU 63 -0.287 -12.773 -1.945 458 H ALA 64 H ALA 64 3.654 -11.873 -0.605 459 HA ALA 64 HA ALA 64 3.308 -14.141 1.173 460 HB1 ALA 64 1HB ALA 64 4.353 -13.895 -1.338 461 HB2 ALA 64 2HB ALA 64 5.805 -13.992 -0.340 462 HB3 ALA 64 3HB ALA 64 4.596 -15.274 -0.265 463 H LEU 65 H LEU 65 5.007 -11.163 1.115 464 HA LEU 65 HA LEU 65 7.086 -11.967 2.942 465 HB2 LEU 65 1HB LEU 65 6.262 -9.443 1.605 466 HB3 LEU 65 2HB LEU 65 7.244 -9.326 3.064 467 HG LEU 65 HG LEU 65 8.067 -10.942 0.659 468 HD11 LEU 65 1HD1 LEU 65 8.882 -8.120 1.334 469 HD12 LEU 65 2HD1 LEU 65 7.753 -8.564 0.054 470 HD13 LEU 65 3HD1 LEU 65 9.435 -9.088 -0.033 471 HD21 LEU 65 1HD2 LEU 65 10.027 -9.748 2.501 472 HD22 LEU 65 2HD2 LEU 65 9.995 -11.344 1.751 473 HD23 LEU 65 3HD2 LEU 65 9.020 -11.024 3.186 474 H ASP 66 H ASP 66 7.376 -10.454 4.941 475 HA ASP 66 HA ASP 66 4.867 -10.601 6.459 476 HB2 ASP 66 1HB ASP 66 7.762 -10.633 7.302 477 HB3 ASP 66 2HB ASP 66 6.452 -10.396 8.455 478 H HIS 67 H HIS 67 4.768 -8.927 8.299 479 HA HIS 67 HA HIS 67 4.186 -6.465 7.429 480 HB2 HIS 67 1HB HIS 67 3.790 -7.096 9.730 481 HB3 HIS 67 2HB HIS 67 5.520 -7.137 10.059 482 HD1 HIS 67 1HD HIS 67 2.920 -5.181 11.034 483 HD2 HIS 67 2HD HIS 67 6.449 -4.237 9.055 484 HE1 HIS 67 1HE HIS 67 3.293 -2.731 11.457 485 HE2 HIS 67 2HE HIS 67 5.388 -2.163 10.179 486 H ASP 68 H ASP 68 7.417 -7.335 8.659 487 HA ASP 68 HA ASP 68 8.593 -4.845 7.963 488 HB2 ASP 68 1HB ASP 68 9.425 -6.563 9.677 489 HB3 ASP 68 2HB ASP 68 10.105 -7.430 8.302 490 H GLY 69 H GLY 69 8.511 -8.024 6.394 491 HA2 GLY 69 1HA GLY 69 10.263 -7.571 4.299 492 HA3 GLY 69 2HA GLY 69 8.861 -8.626 4.206 493 H VAL 70 H VAL 70 6.733 -7.059 4.238 494 HA VAL 70 HA VAL 70 6.707 -5.896 1.663 495 HB VAL 70 HB VAL 70 4.684 -5.504 3.872 496 HG11 VAL 70 1HG1 VAL 70 4.233 -3.927 2.190 497 HG12 VAL 70 2HG1 VAL 70 4.609 -5.071 0.900 498 HG13 VAL 70 3HG1 VAL 70 3.142 -5.272 1.859 499 HG21 VAL 70 1HG2 VAL 70 3.901 -7.570 3.539 500 HG22 VAL 70 2HG2 VAL 70 4.044 -7.434 1.786 501 HG23 VAL 70 3HG2 VAL 70 5.445 -7.901 2.751 502 H VAL 71 H VAL 71 6.490 -4.417 4.898 503 HA VAL 71 HA VAL 71 6.382 -1.754 4.097 504 HB VAL 71 HB VAL 71 7.651 -2.890 6.593 505 HG11 VAL 71 1HG1 VAL 71 6.852 -0.503 7.391 506 HG12 VAL 71 2HG1 VAL 71 8.433 -0.743 6.646 507 HG13 VAL 71 3HG1 VAL 71 7.092 -0.113 5.688 508 HG21 VAL 71 1HG2 VAL 71 5.121 -3.265 5.929 509 HG22 VAL 71 2HG2 VAL 71 5.593 -2.899 7.589 510 HG23 VAL 71 3HG2 VAL 71 4.962 -1.622 6.549 511 H GLU 72 H GLU 72 8.939 -3.964 3.822 512 HA GLU 72 HA GLU 72 11.110 -2.108 4.006 513 HB2 GLU 72 1HB GLU 72 11.200 -4.653 4.311 514 HB3 GLU 72 2HB GLU 72 11.182 -4.745 2.556 515 HG2 GLU 72 1HG GLU 72 13.236 -3.499 2.421 516 HG3 GLU 72 2HG GLU 72 13.232 -3.243 4.165 517 H MET 73 H MET 73 9.562 -3.787 1.267 518 HA MET 73 HA MET 73 10.939 -2.737 -0.835 519 HB2 MET 73 1HB MET 73 7.947 -3.148 -0.687 520 HB3 MET 73 2HB MET 73 8.874 -2.978 -2.172 521 HG2 MET 73 1HG MET 73 9.404 -5.148 -0.167 522 HG3 MET 73 2HG MET 73 8.252 -5.323 -1.489 523 HE1 MET 73 1HE MET 73 9.467 -5.909 -4.330 524 HE2 MET 73 2HE MET 73 10.255 -7.284 -3.557 525 HE3 MET 73 3HE MET 73 8.703 -6.702 -2.952 526 H ILE 74 H ILE 74 8.154 -1.221 0.779 527 HA ILE 74 HA ILE 74 7.895 1.050 -0.759 528 HB ILE 74 HB ILE 74 7.507 0.693 2.209 529 HG12 ILE 74 1HG1 ILE 74 5.375 1.108 0.134 530 HG13 ILE 74 2HG1 ILE 74 6.075 -0.488 0.381 531 HG21 ILE 74 1HG2 ILE 74 6.234 2.803 2.154 532 HG22 ILE 74 2HG2 ILE 74 7.947 3.037 1.810 533 HG23 ILE 74 3HG2 ILE 74 6.773 3.062 0.495 534 HD11 ILE 74 1HD1 ILE 74 4.628 1.178 2.424 535 HD12 ILE 74 2HD1 ILE 74 4.047 -0.294 1.645 536 HD13 ILE 74 3HD1 ILE 74 5.416 -0.364 2.755 537 H ARG 75 H ARG 75 10.159 0.433 1.884 538 HA ARG 75 HA ARG 75 11.242 3.076 1.898 539 HB2 ARG 75 1HB ARG 75 12.263 0.470 3.034 540 HB3 ARG 75 2HB ARG 75 13.057 2.020 3.280 541 HG2 ARG 75 1HG ARG 75 11.267 2.854 4.556 542 HG3 ARG 75 2HG ARG 75 10.194 1.549 4.045 543 HD2 ARG 75 1HD ARG 75 10.854 1.036 6.257 544 HD3 ARG 75 2HD ARG 75 11.774 -0.039 5.205 545 HE ARG 75 HE ARG 75 13.678 0.922 6.002 546 HH11 ARG 75 2HH1 ARG 75 11.032 3.124 6.519 547 HH12 ARG 75 1HH1 ARG 75 11.990 4.276 7.389 548 HH21 ARG 75 2HH2 ARG 75 14.950 2.431 7.145 549 HH22 ARG 75 1HH2 ARG 75 14.219 3.881 7.744 550 H LYS 76 H LYS 76 12.722 -0.032 0.951 551 HA LYS 76 HA LYS 76 14.968 1.027 -0.296 552 HB2 LYS 76 1HB LYS 76 15.007 -1.156 -1.569 553 HB3 LYS 76 2HB LYS 76 14.932 -1.300 0.182 554 HG2 LYS 76 1HG LYS 76 12.328 -1.386 -0.316 555 HG3 LYS 76 2HG LYS 76 12.910 -1.986 -1.871 556 HD2 LYS 76 1HD LYS 76 14.083 -3.151 0.599 557 HD3 LYS 76 2HD LYS 76 12.433 -3.610 0.171 558 HE2 LYS 76 1HE LYS 76 13.806 -5.226 -0.842 559 HE3 LYS 76 2HE LYS 76 13.342 -4.132 -2.144 560 HZ1 LYS 76 1HZ LYS 76 15.746 -3.293 -0.861 561 HZ2 LYS 76 2HZ LYS 76 15.453 -3.597 -2.499 562 HZ3 LYS 76 3HZ LYS 76 15.890 -4.865 -1.468 563 H GLY 77 H GLY 77 11.708 1.058 -1.319 564 HA2 GLY 77 1HA GLY 77 12.313 1.334 -4.141 565 HA3 GLY 77 2HA GLY 77 10.725 1.446 -3.396 566 H GLY 78 H GLY 78 13.615 3.282 -2.515 567 HA2 GLY 78 1HA GLY 78 14.056 5.535 -2.572 568 HA3 GLY 78 2HA GLY 78 12.983 5.622 -3.960 569 H ASP 79 H ASP 79 12.246 7.663 -3.185 570 HA ASP 79 HA ASP 79 10.874 7.794 -0.648 571 HB2 ASP 79 1HB ASP 79 11.059 9.804 -2.902 572 HB3 ASP 79 2HB ASP 79 10.355 10.118 -1.318 573 H GLN 80 H GLN 80 10.060 7.300 -3.994 574 HA GLN 80 HA GLN 80 7.202 7.287 -3.281 575 HB2 GLN 80 1HB GLN 80 6.692 7.768 -5.588 576 HB3 GLN 80 2HB GLN 80 7.854 8.952 -5.006 577 HG2 GLN 80 1HG GLN 80 9.654 7.768 -6.121 578 HG3 GLN 80 2HG GLN 80 8.522 6.531 -6.665 579 HE21 GLN 80 1HE2 GLN 80 6.498 7.647 -7.746 580 HE22 GLN 80 2HE2 GLN 80 6.903 8.780 -8.985 581 H THR 81 H THR 81 5.898 5.585 -4.009 582 HA THR 81 HA THR 81 7.091 3.354 -5.414 583 HB THR 81 HB THR 81 7.782 2.886 -3.108 584 HG1 THR 81 1HG THR 81 5.657 1.104 -3.660 585 HG21 THR 81 1HG2 THR 81 4.876 3.332 -2.571 586 HG22 THR 81 2HG2 THR 81 6.283 3.887 -1.665 587 HG23 THR 81 3HG2 THR 81 5.780 2.200 -1.565 588 H THR 82 H THR 82 5.571 1.891 -6.235 589 HA THR 82 HA THR 82 2.847 2.946 -6.313 590 HB THR 82 HB THR 82 4.103 0.759 -7.984 591 HG1 THR 82 1HG THR 82 3.502 3.446 -8.716 592 HG21 THR 82 1HG2 THR 82 2.166 0.689 -9.248 593 HG22 THR 82 2HG2 THR 82 1.637 2.285 -8.716 594 HG23 THR 82 3HG2 THR 82 1.521 0.908 -7.622 595 H LEU 83 H LEU 83 1.062 1.831 -5.650 596 HA LEU 83 HA LEU 83 1.546 -0.737 -4.288 597 HB2 LEU 83 1HB LEU 83 -0.737 0.990 -3.499 598 HB3 LEU 83 2HB LEU 83 0.214 -0.134 -2.531 599 HG LEU 83 HG LEU 83 0.972 2.665 -3.354 600 HD11 LEU 83 1HD1 LEU 83 0.036 1.365 -0.852 601 HD12 LEU 83 2HD1 LEU 83 -0.335 2.959 -1.509 602 HD13 LEU 83 3HD1 LEU 83 1.220 2.667 -0.729 603 HD21 LEU 83 1HD2 LEU 83 2.724 1.258 -1.489 604 HD22 LEU 83 2HD2 LEU 83 3.122 2.282 -2.869 605 HD23 LEU 83 3HD2 LEU 83 2.730 0.580 -3.117 606 H LEU 84 H LEU 84 -0.051 -2.335 -4.433 607 HA LEU 84 HA LEU 84 -2.136 -1.862 -6.457 608 HB2 LEU 84 1HB LEU 84 -0.257 -3.173 -7.374 609 HB3 LEU 84 2HB LEU 84 -0.509 -4.378 -6.112 610 HG LEU 84 HG LEU 84 -2.745 -4.847 -7.053 611 HD11 LEU 84 1HD1 LEU 84 -1.999 -2.575 -8.775 612 HD12 LEU 84 2HD1 LEU 84 -3.586 -3.125 -8.238 613 HD13 LEU 84 3HD1 LEU 84 -2.781 -3.935 -9.582 614 HD21 LEU 84 1HD2 LEU 84 -0.685 -6.109 -7.707 615 HD22 LEU 84 2HD2 LEU 84 -0.580 -5.081 -9.136 616 HD23 LEU 84 3HD2 LEU 84 -1.977 -6.135 -8.908 617 H VAL 85 H VAL 85 -3.863 -1.689 -5.109 618 HA VAL 85 HA VAL 85 -4.328 -3.872 -3.193 619 HB VAL 85 HB VAL 85 -5.833 -2.430 -2.011 620 HG11 VAL 85 1HG1 VAL 85 -4.206 -1.288 -0.981 621 HG12 VAL 85 2HG1 VAL 85 -3.134 -2.002 -2.187 622 HG13 VAL 85 3HG1 VAL 85 -3.792 -0.384 -2.438 623 HG21 VAL 85 1HG2 VAL 85 -5.344 -0.310 -4.095 624 HG22 VAL 85 2HG2 VAL 85 -6.771 -1.346 -4.062 625 HG23 VAL 85 3HG2 VAL 85 -6.455 -0.236 -2.728 626 H LEU 86 H LEU 86 -6.389 -4.856 -3.077 627 HA LEU 86 HA LEU 86 -7.727 -5.000 -5.654 628 HB2 LEU 86 1HB LEU 86 -7.610 -6.677 -3.211 629 HB3 LEU 86 2HB LEU 86 -9.071 -6.775 -4.192 630 HG LEU 86 HG LEU 86 -7.384 -8.540 -4.677 631 HD11 LEU 86 1HD1 LEU 86 -7.581 -8.387 -7.078 632 HD12 LEU 86 2HD1 LEU 86 -7.927 -6.661 -6.971 633 HD13 LEU 86 3HD1 LEU 86 -9.076 -7.832 -6.323 634 HD21 LEU 86 1HD2 LEU 86 -5.249 -8.058 -5.045 635 HD22 LEU 86 2HD2 LEU 86 -5.606 -6.376 -4.651 636 HD23 LEU 86 3HD2 LEU 86 -5.675 -6.924 -6.327 637 H ASP 87 H ASP 87 -9.893 -4.572 -6.005 638 HA ASP 87 HA ASP 87 -11.155 -2.868 -3.973 639 HB2 ASP 87 1HB ASP 87 -11.242 -2.960 -6.951 640 HB3 ASP 87 2HB ASP 87 -12.681 -2.400 -6.104 641 H LYS 88 H LYS 88 -11.636 -5.722 -5.947 642 HA LYS 88 HA LYS 88 -14.359 -6.147 -5.560 643 HB2 LYS 88 1HB LYS 88 -12.231 -8.290 -5.687 644 HB3 LYS 88 2HB LYS 88 -13.933 -8.469 -6.091 645 HG2 LYS 88 1HG LYS 88 -12.059 -6.631 -7.559 646 HG3 LYS 88 2HG LYS 88 -12.393 -8.294 -8.047 647 HD2 LYS 88 1HD LYS 88 -14.550 -7.817 -8.681 648 HD3 LYS 88 2HD LYS 88 -14.685 -6.448 -7.575 649 HE2 LYS 88 1HE LYS 88 -12.919 -6.455 -10.015 650 HE3 LYS 88 2HE LYS 88 -14.577 -5.855 -10.015 651 HZ1 LYS 88 1HZ LYS 88 -12.498 -4.828 -8.170 652 HZ2 LYS 88 2HZ LYS 88 -14.011 -4.152 -8.506 653 HZ3 LYS 88 3HZ LYS 88 -12.799 -4.140 -9.686 654 H GLU 89 H GLU 89 -11.770 -7.846 -3.783 655 HA GLU 89 HA GLU 89 -13.621 -8.110 -1.516 656 HB2 GLU 89 1HB GLU 89 -12.107 -9.918 -0.753 657 HB3 GLU 89 2HB GLU 89 -12.801 -10.229 -2.338 658 HG2 GLU 89 1HG GLU 89 -10.806 -10.033 -3.410 659 HG3 GLU 89 2HG GLU 89 -10.155 -8.899 -2.228 660 H ALA 90 H ALA 90 -12.033 -5.706 -2.164 661 HA ALA 90 HA ALA 90 -9.757 -5.330 -0.685 662 HB1 ALA 90 1HB ALA 90 -10.072 -3.092 -0.974 663 HB2 ALA 90 2HB ALA 90 -11.229 -3.698 -2.160 664 HB3 ALA 90 3HB ALA 90 -11.789 -3.167 -0.574 665 H GLU 91 H GLU 91 -13.108 -4.987 0.468 666 HA GLU 91 HA GLU 91 -12.583 -4.215 3.076 667 HB2 GLU 91 1HB GLU 91 -14.821 -5.880 1.929 668 HB3 GLU 91 2HB GLU 91 -14.790 -5.361 3.608 669 HG2 GLU 91 1HG GLU 91 -14.660 -3.468 1.277 670 HG3 GLU 91 2HG GLU 91 -16.158 -3.940 2.079 671 H SER 92 H SER 92 -12.302 -5.306 5.018 672 HA SER 92 HA SER 92 -11.486 -8.127 4.766 673 HB2 SER 92 1HB SER 92 -9.684 -6.323 5.251 674 HB3 SER 92 2HB SER 92 -10.384 -6.280 6.869 675 HG SER 92 HG SER 92 -9.956 -8.518 7.031 676 H ILE 93 H ILE 93 -13.621 -8.793 5.306 677 HA ILE 93 HA ILE 93 -15.216 -8.046 7.379 678 HB ILE 93 HB ILE 93 -14.722 -10.943 6.699 679 HG12 ILE 93 1HG1 ILE 93 -15.068 -9.969 4.590 680 HG13 ILE 93 2HG1 ILE 93 -16.673 -10.509 5.070 681 HG21 ILE 93 1HG2 ILE 93 -16.293 -9.962 8.632 682 HG22 ILE 93 2HG2 ILE 93 -17.416 -9.876 7.275 683 HG23 ILE 93 3HG2 ILE 93 -16.687 -11.419 7.719 684 HD11 ILE 93 1HD1 ILE 93 -16.836 -8.331 4.098 685 HD12 ILE 93 2HD1 ILE 93 -17.160 -8.203 5.828 686 HD13 ILE 93 3HD1 ILE 93 -15.596 -7.704 5.184 687 H TYR 94 H TYR 94 -15.417 -8.488 9.554 688 HA TYR 94 HA TYR 94 -13.123 -9.819 10.835 689 HB2 TYR 94 1HB TYR 94 -13.344 -8.175 12.696 690 HB3 TYR 94 2HB TYR 94 -12.857 -7.444 11.171 691 HD1 TYR 94 2HD TYR 94 -14.410 -6.020 9.922 692 HD2 TYR 94 1HD TYR 94 -15.486 -7.679 13.689 693 HE1 TYR 94 2HE TYR 94 -16.281 -4.431 10.081 694 HE2 TYR 94 1HE TYR 94 -17.361 -6.096 13.858 695 HH TYR 94 HH TYR 94 -18.075 -3.987 12.980 696 H SER 95 H SER 95 -13.576 -10.650 13.008 697 HA SER 95 HA SER 95 -16.346 -11.621 13.187 698 HB2 SER 95 1HB SER 95 -14.423 -13.276 12.947 699 HB3 SER 95 2HB SER 95 -13.944 -12.810 14.579 700 HG SER 95 HG SER 95 -15.724 -13.729 15.388 701 H LEU 96 H LEU 96 -17.187 -11.992 15.397 702 HA LEU 96 HA LEU 96 -16.089 -10.135 17.388 703 HB2 LEU 96 1HB LEU 96 -18.165 -9.133 17.826 704 HB3 LEU 96 2HB LEU 96 -17.995 -9.127 16.072 705 HG LEU 96 HG LEU 96 -19.557 -11.278 17.459 706 HD11 LEU 96 1HD1 LEU 96 -20.793 -9.555 18.291 707 HD12 LEU 96 2HD1 LEU 96 -21.527 -9.694 16.695 708 HD13 LEU 96 3HD1 LEU 96 -20.322 -8.445 17.004 709 HD21 LEU 96 1HD2 LEU 96 -20.785 -10.785 15.124 710 HD22 LEU 96 2HD2 LEU 96 -19.456 -11.932 15.298 711 HD23 LEU 96 3HD2 LEU 96 -19.142 -10.300 14.704 712 H SER 97 H SER 97 -16.887 -10.535 19.580 713 HA SER 97 HA SER 97 -18.195 -13.065 20.093 714 HB2 SER 97 1HB SER 97 -16.412 -14.087 21.317 715 HB3 SER 97 2HB SER 97 -15.742 -13.599 19.760 716 HG SER 97 HG SER 97 -14.713 -13.024 22.010 717 H GLY 98 H GLY 98 -19.285 -13.052 21.990 718 HA2 GLY 98 1HA GLY 98 -18.548 -11.173 24.089 719 HA3 GLY 98 2HA GLY 98 -20.098 -10.886 23.312 720 HA PRO 99 HA PRO 99 -20.259 -15.092 25.767 721 HB2 PRO 99 1HB PRO 99 -18.528 -15.201 27.855 722 HB3 PRO 99 2HB PRO 99 -18.134 -15.821 26.247 723 HG2 PRO 99 1HG PRO 99 -17.384 -13.212 27.509 724 HG3 PRO 99 2HG PRO 99 -16.387 -14.314 26.541 725 HD2 PRO 99 1HD PRO 99 -17.501 -12.072 25.509 726 HD3 PRO 99 2HD PRO 99 -17.247 -13.542 24.546 727 H SER 100 H SER 100 -20.871 -15.539 28.144 728 HA SER 100 HA SER 100 -21.813 -13.049 29.406 729 HB2 SER 100 1HB SER 100 -23.319 -15.637 28.993 730 HB3 SER 100 2HB SER 100 -23.848 -14.382 30.114 731 HG SER 100 HG SER 100 -24.176 -13.009 28.430 732 H SER 101 H SER 101 -21.223 -12.812 31.456 733 HA SER 101 HA SER 101 -20.606 -15.207 33.046 734 HB2 SER 101 1HB SER 101 -18.924 -12.706 32.804 735 HB3 SER 101 2HB SER 101 -18.696 -13.919 34.064 736 HG SER 101 HG SER 101 -17.369 -14.136 32.104 737 H GLY 102 H GLY 102 -21.281 -15.167 35.135 738 HA2 GLY 102 1HA GLY 102 -22.307 -14.424 37.054 739 HA3 GLY 102 2HA GLY 102 -21.863 -12.791 36.579 Start of MODEL 17 1 H1 GLY 1 H GLY 1 1.095 -1.245 -19.070 2 HA2 GLY 1 1HA GLY 1 -0.739 -0.598 -17.826 3 HA3 GLY 1 2HA GLY 1 -1.685 -1.816 -18.668 4 H SER 2 H SER 2 -2.454 -3.380 -17.429 5 HA SER 2 HA SER 2 -0.925 -4.144 -15.028 6 HB2 SER 2 1HB SER 2 -3.115 -4.594 -13.921 7 HB3 SER 2 2HB SER 2 -2.880 -2.893 -14.323 8 HG SER 2 HG SER 2 -4.467 -2.996 -15.719 9 H SER 3 H SER 3 -1.549 -6.347 -14.206 10 HA SER 3 HA SER 3 -1.705 -8.176 -16.489 11 HB2 SER 3 1HB SER 3 -0.782 -8.604 -13.639 12 HB3 SER 3 2HB SER 3 -0.856 -9.877 -14.857 13 HG SER 3 HG SER 3 0.532 -7.513 -15.439 14 H GLY 4 H GLY 4 -2.906 -8.073 -13.125 15 HA2 GLY 4 1HA GLY 4 -5.109 -9.834 -13.880 16 HA3 GLY 4 2HA GLY 4 -4.678 -9.349 -12.247 17 H SER 5 H SER 5 -7.012 -9.078 -14.494 18 HA SER 5 HA SER 5 -7.775 -6.488 -14.787 19 HB2 SER 5 1HB SER 5 -10.139 -7.298 -14.719 20 HB3 SER 5 2HB SER 5 -9.088 -8.292 -15.728 21 HG SER 5 HG SER 5 -9.380 -9.919 -14.421 22 H SER 6 H SER 6 -8.084 -8.451 -11.878 23 HA SER 6 HA SER 6 -9.505 -6.412 -10.425 24 HB2 SER 6 1HB SER 6 -8.151 -8.909 -9.376 25 HB3 SER 6 2HB SER 6 -9.339 -7.924 -8.522 26 HG SER 6 HG SER 6 -10.890 -8.551 -10.002 27 H GLY 7 H GLY 7 -8.682 -5.458 -8.422 28 HA2 GLY 7 1HA GLY 7 -7.007 -4.563 -7.067 29 HA3 GLY 7 2HA GLY 7 -5.804 -5.351 -8.077 30 H ARG 8 H ARG 8 -6.008 -2.569 -7.037 31 HA ARG 8 HA ARG 8 -5.840 -1.182 -9.632 32 HB2 ARG 8 1HB ARG 8 -6.491 0.897 -8.350 33 HB3 ARG 8 2HB ARG 8 -7.764 -0.300 -8.553 34 HG2 ARG 8 1HG ARG 8 -7.132 -1.142 -6.242 35 HG3 ARG 8 2HG ARG 8 -6.189 0.341 -6.082 36 HD2 ARG 8 1HD ARG 8 -8.163 1.685 -6.410 37 HD3 ARG 8 2HD ARG 8 -9.128 0.248 -6.745 38 HE ARG 8 HE ARG 8 -7.897 0.136 -4.175 39 HH11 ARG 8 2HH1 ARG 8 -10.574 1.485 -5.946 40 HH12 ARG 8 1HH1 ARG 8 -11.589 1.638 -4.550 41 HH21 ARG 8 2HH2 ARG 8 -9.225 0.332 -2.330 42 HH22 ARG 8 1HH2 ARG 8 -10.820 0.982 -2.494 43 H VAL 9 H VAL 9 -3.983 -0.153 -10.056 44 HA VAL 9 HA VAL 9 -1.804 -0.382 -8.186 45 HB VAL 9 HB VAL 9 -1.872 0.935 -10.905 46 HG11 VAL 9 1HG1 VAL 9 0.700 0.046 -10.359 47 HG12 VAL 9 2HG1 VAL 9 0.135 1.718 -10.339 48 HG13 VAL 9 3HG1 VAL 9 0.159 0.775 -8.848 49 HG21 VAL 9 1HG2 VAL 9 -0.456 -1.326 -11.255 50 HG22 VAL 9 2HG2 VAL 9 -1.594 -1.867 -10.021 51 HG23 VAL 9 3HG2 VAL 9 -2.192 -1.210 -11.544 52 H VAL 10 H VAL 10 -1.167 1.104 -6.773 53 HA VAL 10 HA VAL 10 -2.109 3.875 -7.133 54 HB VAL 10 HB VAL 10 -1.435 2.600 -4.486 55 HG11 VAL 10 1HG1 VAL 10 -2.909 5.120 -5.240 56 HG12 VAL 10 2HG1 VAL 10 -2.749 4.496 -3.597 57 HG13 VAL 10 3HG1 VAL 10 -1.317 5.012 -4.490 58 HG21 VAL 10 1HG2 VAL 10 -3.272 1.335 -5.233 59 HG22 VAL 10 2HG2 VAL 10 -3.964 2.576 -4.188 60 HG23 VAL 10 3HG2 VAL 10 -4.061 2.745 -5.941 61 H VAL 11 H VAL 11 -0.714 5.552 -6.227 62 HA VAL 11 HA VAL 11 2.100 4.797 -5.927 63 HB VAL 11 HB VAL 11 1.123 6.898 -7.866 64 HG11 VAL 11 1HG1 VAL 11 3.743 6.407 -6.602 65 HG12 VAL 11 2HG1 VAL 11 3.763 6.705 -8.341 66 HG13 VAL 11 3HG1 VAL 11 3.054 7.896 -7.249 67 HG21 VAL 11 1HG2 VAL 11 1.061 5.193 -9.300 68 HG22 VAL 11 2HG2 VAL 11 2.820 5.140 -9.173 69 HG23 VAL 11 3HG2 VAL 11 1.830 4.100 -8.148 70 H ILE 12 H ILE 12 3.310 6.176 -4.655 71 HA ILE 12 HA ILE 12 2.064 8.619 -3.655 72 HB ILE 12 HB ILE 12 3.074 6.470 -1.789 73 HG12 ILE 12 1HG1 ILE 12 0.243 7.462 -2.161 74 HG13 ILE 12 2HG1 ILE 12 0.865 5.984 -2.887 75 HG21 ILE 12 1HG2 ILE 12 2.228 7.941 -0.019 76 HG22 ILE 12 2HG2 ILE 12 3.498 8.715 -0.964 77 HG23 ILE 12 3HG2 ILE 12 1.811 9.151 -1.232 78 HD11 ILE 12 1HD1 ILE 12 1.262 5.045 -0.695 79 HD12 ILE 12 2HD1 ILE 12 0.728 6.544 0.066 80 HD13 ILE 12 3HD1 ILE 12 -0.416 5.562 -0.848 81 H LYS 13 H LYS 13 3.519 10.125 -2.805 82 HA LYS 13 HA LYS 13 6.371 9.447 -3.074 83 HB2 LYS 13 1HB LYS 13 5.468 12.211 -3.726 84 HB3 LYS 13 2HB LYS 13 6.840 11.303 -4.349 85 HG2 LYS 13 1HG LYS 13 5.462 10.061 -5.823 86 HG3 LYS 13 2HG LYS 13 3.990 10.654 -5.050 87 HD2 LYS 13 1HD LYS 13 4.381 11.796 -7.169 88 HD3 LYS 13 2HD LYS 13 4.506 12.923 -5.816 89 HE2 LYS 13 1HE LYS 13 6.854 12.996 -5.960 90 HE3 LYS 13 2HE LYS 13 6.917 11.565 -6.987 91 HZ1 LYS 13 1HZ LYS 13 6.820 14.229 -7.780 92 HZ2 LYS 13 2HZ LYS 13 5.346 13.536 -8.237 93 HZ3 LYS 13 3HZ LYS 13 6.801 12.854 -8.766 94 H LYS 14 H LYS 14 7.405 9.726 -1.221 95 HA LYS 14 HA LYS 14 6.436 10.625 1.142 96 HB2 LYS 14 1HB LYS 14 8.797 9.651 0.436 97 HB3 LYS 14 2HB LYS 14 9.264 11.345 0.516 98 HG2 LYS 14 1HG LYS 14 8.740 11.486 2.809 99 HG3 LYS 14 2HG LYS 14 7.876 9.947 2.783 100 HD2 LYS 14 1HD LYS 14 10.799 10.117 2.117 101 HD3 LYS 14 2HD LYS 14 10.240 9.988 3.786 102 HE2 LYS 14 1HE LYS 14 9.255 7.881 3.396 103 HE3 LYS 14 2HE LYS 14 9.369 8.065 1.647 104 HZ1 LYS 14 1HZ LYS 14 11.426 7.296 3.573 105 HZ2 LYS 14 2HZ LYS 14 11.918 8.216 2.242 106 HZ3 LYS 14 3HZ LYS 14 11.148 6.729 2.004 107 H GLY 15 H GLY 15 6.591 12.568 2.365 108 HA2 GLY 15 1HA GLY 15 7.098 15.014 0.815 109 HA3 GLY 15 2HA GLY 15 5.547 14.821 1.619 110 H SER 16 H SER 16 5.381 15.706 3.561 111 HA SER 16 HA SER 16 7.845 16.424 4.981 112 HB2 SER 16 1HB SER 16 6.464 18.036 6.207 113 HB3 SER 16 2HB SER 16 6.279 18.260 4.468 114 HG SER 16 HG SER 16 4.361 16.867 4.715 115 H ASN 17 H ASN 17 4.631 15.024 5.572 116 HA ASN 17 HA ASN 17 5.610 13.950 8.122 117 HB2 ASN 17 1HB ASN 17 2.906 14.616 7.046 118 HB3 ASN 17 2HB ASN 17 3.033 13.336 8.249 119 HD21 ASN 17 1HD2 ASN 17 3.945 13.856 10.304 120 HD22 ASN 17 2HD2 ASN 17 3.856 15.472 10.910 121 H GLY 18 H GLY 18 6.743 12.647 6.082 122 HA2 GLY 18 1HA GLY 18 7.096 10.531 5.265 123 HA3 GLY 18 2HA GLY 18 5.958 9.971 6.481 124 H TYR 19 H TYR 19 5.398 8.416 4.764 125 HA TYR 19 HA TYR 19 4.181 9.233 2.351 126 HB2 TYR 19 1HB TYR 19 4.030 6.667 3.931 127 HB3 TYR 19 2HB TYR 19 3.218 6.880 2.384 128 HD1 TYR 19 2HD TYR 19 4.640 7.433 0.351 129 HD2 TYR 19 1HD TYR 19 6.304 6.086 4.028 130 HE1 TYR 19 2HE TYR 19 6.705 6.796 -0.823 131 HE2 TYR 19 1HE TYR 19 8.374 5.447 2.864 132 HH TYR 19 HH TYR 19 8.616 5.499 -0.615 133 H GLY 20 H GLY 20 2.747 8.085 5.410 134 HA2 GLY 20 1HA GLY 20 0.857 9.432 6.273 135 HA3 GLY 20 2HA GLY 20 0.259 9.473 4.621 136 H PHE 21 H PHE 21 1.137 6.589 4.325 137 HA PHE 21 HA PHE 21 -1.234 5.430 5.620 138 HB2 PHE 21 1HB PHE 21 -1.440 3.942 3.827 139 HB3 PHE 21 2HB PHE 21 -0.924 5.436 3.050 140 HD1 PHE 21 1HD PHE 21 1.365 5.672 2.210 141 HD2 PHE 21 2HD PHE 21 -0.042 2.009 3.860 142 HE1 PHE 21 1HE PHE 21 3.267 4.487 1.194 143 HE2 PHE 21 2HE PHE 21 1.858 0.819 2.847 144 HZ PHE 21 HZ PHE 21 3.516 2.058 1.512 145 H TYR 22 H TYR 22 -1.103 3.527 6.773 146 HA TYR 22 HA TYR 22 1.627 2.637 7.434 147 HB2 TYR 22 1HB TYR 22 -0.865 2.664 9.146 148 HB3 TYR 22 2HB TYR 22 0.656 1.917 9.623 149 HD1 TYR 22 2HD TYR 22 2.682 3.364 9.930 150 HD2 TYR 22 1HD TYR 22 -1.206 4.996 9.367 151 HE1 TYR 22 2HE TYR 22 3.461 5.516 10.831 152 HE2 TYR 22 1HE TYR 22 -0.438 7.153 10.265 153 HH TYR 22 HH TYR 22 2.479 8.143 10.426 154 H LEU 23 H LEU 23 1.894 0.374 7.970 155 HA LEU 23 HA LEU 23 -0.059 -1.345 6.584 156 HB2 LEU 23 1HB LEU 23 2.938 -1.521 6.743 157 HB3 LEU 23 2HB LEU 23 1.933 -2.874 6.229 158 HG LEU 23 HG LEU 23 2.201 -0.207 4.845 159 HD11 LEU 23 1HD1 LEU 23 3.012 -1.832 3.005 160 HD12 LEU 23 2HD1 LEU 23 3.293 -2.945 4.343 161 HD13 LEU 23 3HD1 LEU 23 4.118 -1.387 4.306 162 HD21 LEU 23 1HD2 LEU 23 0.217 -0.620 3.938 163 HD22 LEU 23 2HD2 LEU 23 0.108 -2.178 4.758 164 HD23 LEU 23 3HD2 LEU 23 0.914 -2.059 3.193 165 H ARG 24 H ARG 24 -0.699 -3.229 7.551 166 HA ARG 24 HA ARG 24 0.491 -3.926 10.139 167 HB2 ARG 24 1HB ARG 24 -1.540 -2.494 10.488 168 HB3 ARG 24 2HB ARG 24 -2.491 -3.741 9.692 169 HG2 ARG 24 1HG ARG 24 -1.793 -5.341 11.435 170 HG3 ARG 24 2HG ARG 24 -0.936 -4.033 12.253 171 HD2 ARG 24 1HD ARG 24 -3.177 -2.802 12.240 172 HD3 ARG 24 2HD ARG 24 -3.890 -4.361 11.825 173 HE ARG 24 HE ARG 24 -3.610 -5.014 13.995 174 HH11 ARG 24 2HH1 ARG 24 -1.560 -2.270 13.373 175 HH12 ARG 24 1HH1 ARG 24 -1.069 -2.098 15.026 176 HH21 ARG 24 2HH2 ARG 24 -2.970 -4.798 16.173 177 HH22 ARG 24 1HH2 ARG 24 -1.871 -3.537 16.618 178 H ALA 25 H ALA 25 0.530 -6.087 10.597 179 HA ALA 25 HA ALA 25 0.320 -7.911 8.459 180 HB1 ALA 25 1HB ALA 25 1.853 -8.225 10.344 181 HB2 ALA 25 2HB ALA 25 0.477 -8.497 11.413 182 HB3 ALA 25 3HB ALA 25 0.815 -9.631 10.106 183 H GLY 26 H GLY 26 -1.647 -8.195 7.542 184 HA2 GLY 26 1HA GLY 26 -4.077 -8.312 9.037 185 HA3 GLY 26 2HA GLY 26 -3.884 -8.702 7.334 186 HA PRO 27 HA PRO 27 -4.738 -12.576 9.842 187 HB2 PRO 27 1HB PRO 27 -6.997 -13.286 8.515 188 HB3 PRO 27 2HB PRO 27 -7.008 -12.229 9.931 189 HG2 PRO 27 1HG PRO 27 -7.143 -11.509 7.028 190 HG3 PRO 27 2HG PRO 27 -8.072 -10.852 8.389 191 HD2 PRO 27 1HD PRO 27 -5.936 -9.569 7.328 192 HD3 PRO 27 2HD PRO 27 -6.358 -9.459 9.049 193 H GLU 28 H GLU 28 -5.449 -14.787 8.683 194 HA GLU 28 HA GLU 28 -3.430 -15.770 7.227 195 HB2 GLU 28 1HB GLU 28 -6.339 -16.448 6.757 196 HB3 GLU 28 2HB GLU 28 -4.972 -17.445 6.280 197 HG2 GLU 28 1HG GLU 28 -5.589 -16.678 9.121 198 HG3 GLU 28 2HG GLU 28 -6.110 -18.181 8.361 199 H GLN 29 H GLN 29 -5.968 -13.716 5.998 200 HA GLN 29 HA GLN 29 -5.870 -14.073 3.297 201 HB2 GLN 29 1HB GLN 29 -5.994 -11.460 4.808 202 HB3 GLN 29 2HB GLN 29 -6.338 -11.625 3.092 203 HG2 GLN 29 1HG GLN 29 -7.823 -13.243 5.123 204 HG3 GLN 29 2HG GLN 29 -8.296 -11.587 4.749 205 HE21 GLN 29 1HE2 GLN 29 -9.994 -13.714 4.331 206 HE22 GLN 29 2HE2 GLN 29 -10.231 -13.931 2.634 207 H LYS 30 H LYS 30 -4.628 -13.312 1.583 208 HA LYS 30 HA LYS 30 -1.827 -12.929 2.209 209 HB2 LYS 30 1HB LYS 30 -3.411 -13.569 -0.226 210 HB3 LYS 30 2HB LYS 30 -1.856 -12.781 -0.460 211 HG2 LYS 30 1HG LYS 30 -1.297 -15.009 -0.585 212 HG3 LYS 30 2HG LYS 30 -0.960 -14.641 1.108 213 HD2 LYS 30 1HD LYS 30 -3.685 -15.598 0.400 214 HD3 LYS 30 2HD LYS 30 -2.365 -16.771 0.390 215 HE2 LYS 30 1HE LYS 30 -2.686 -14.943 2.728 216 HE3 LYS 30 2HE LYS 30 -3.756 -16.336 2.569 217 HZ1 LYS 30 1HZ LYS 30 -0.859 -16.726 2.293 218 HZ2 LYS 30 2HZ LYS 30 -2.040 -17.803 2.848 219 HZ3 LYS 30 3HZ LYS 30 -1.513 -16.539 3.842 220 H GLY 31 H GLY 31 -0.885 -11.010 2.405 221 HA2 GLY 31 1HA GLY 31 -0.375 -8.879 1.300 222 HA3 GLY 31 2HA GLY 31 -2.098 -8.715 0.993 223 H GLN 32 H GLN 32 -0.427 -6.797 2.295 224 HA GLN 32 HA GLN 32 -1.025 -6.961 5.123 225 HB2 GLN 32 1HB GLN 32 0.178 -4.671 3.561 226 HB3 GLN 32 2HB GLN 32 0.178 -4.861 5.310 227 HG2 GLN 32 1HG GLN 32 1.668 -6.499 3.281 228 HG3 GLN 32 2HG GLN 32 2.335 -5.445 4.527 229 HE21 GLN 32 1HE2 GLN 32 2.344 -6.136 6.670 230 HE22 GLN 32 2HE2 GLN 32 2.127 -7.796 7.097 231 H ILE 33 H ILE 33 -1.894 -4.819 6.122 232 HA ILE 33 HA ILE 33 -4.242 -3.955 4.564 233 HB ILE 33 HB ILE 33 -4.206 -4.237 7.564 234 HG12 ILE 33 1HG1 ILE 33 -5.113 -6.196 5.452 235 HG13 ILE 33 2HG1 ILE 33 -3.918 -6.459 6.716 236 HG21 ILE 33 1HG2 ILE 33 -6.606 -4.035 7.378 237 HG22 ILE 33 2HG2 ILE 33 -5.835 -2.668 6.575 238 HG23 ILE 33 3HG2 ILE 33 -6.497 -3.993 5.618 239 HD11 ILE 33 1HD1 ILE 33 -5.625 -7.492 7.735 240 HD12 ILE 33 2HD1 ILE 33 -6.075 -5.853 8.208 241 HD13 ILE 33 3HD1 ILE 33 -6.846 -6.613 6.816 242 H ILE 34 H ILE 34 -4.617 -1.818 4.440 243 HA ILE 34 HA ILE 34 -2.675 -0.035 5.680 244 HB ILE 34 HB ILE 34 -4.807 0.517 3.614 245 HG12 ILE 34 1HG1 ILE 34 -1.814 0.143 3.427 246 HG13 ILE 34 2HG1 ILE 34 -3.062 -0.855 2.688 247 HG21 ILE 34 1HG2 ILE 34 -4.214 2.450 5.104 248 HG22 ILE 34 2HG2 ILE 34 -2.572 2.339 4.475 249 HG23 ILE 34 3HG2 ILE 34 -3.909 2.706 3.386 250 HD11 ILE 34 1HD1 ILE 34 -1.883 0.683 1.127 251 HD12 ILE 34 2HD1 ILE 34 -3.636 0.874 1.158 252 HD13 ILE 34 3HD1 ILE 34 -2.607 2.034 1.998 253 H LYS 35 H LYS 35 -3.212 1.712 6.986 254 HA LYS 35 HA LYS 35 -5.848 2.457 7.665 255 HB2 LYS 35 1HB LYS 35 -5.744 1.637 10.068 256 HB3 LYS 35 2HB LYS 35 -6.084 0.421 8.844 257 HG2 LYS 35 1HG LYS 35 -3.451 0.138 8.931 258 HG3 LYS 35 2HG LYS 35 -3.693 0.778 10.558 259 HD2 LYS 35 1HD LYS 35 -5.305 -1.521 9.479 260 HD3 LYS 35 2HD LYS 35 -3.753 -1.756 10.287 261 HE2 LYS 35 1HE LYS 35 -5.654 -2.022 11.823 262 HE3 LYS 35 2HE LYS 35 -4.601 -0.688 12.290 263 HZ1 LYS 35 1HZ LYS 35 -6.180 0.844 11.828 264 HZ2 LYS 35 2HZ LYS 35 -7.217 -0.447 12.173 265 HZ3 LYS 35 3HZ LYS 35 -6.866 -0.051 10.566 266 H ASP 36 H ASP 36 -5.845 3.860 9.710 267 HA ASP 36 HA ASP 36 -5.062 5.704 10.786 268 HB2 ASP 36 1HB ASP 36 -2.519 4.092 10.592 269 HB3 ASP 36 2HB ASP 36 -2.588 5.648 11.415 270 H ILE 37 H ILE 37 -5.393 5.926 8.026 271 HA ILE 37 HA ILE 37 -3.175 7.045 6.690 272 HB ILE 37 HB ILE 37 -6.138 7.351 6.229 273 HG12 ILE 37 1HG1 ILE 37 -3.985 5.825 4.747 274 HG13 ILE 37 2HG1 ILE 37 -5.186 5.119 5.822 275 HG21 ILE 37 1HG2 ILE 37 -3.894 8.325 4.467 276 HG22 ILE 37 2HG2 ILE 37 -5.616 8.389 4.096 277 HG23 ILE 37 3HG2 ILE 37 -4.964 9.350 5.423 278 HD11 ILE 37 1HD1 ILE 37 -6.404 4.786 3.999 279 HD12 ILE 37 2HD1 ILE 37 -6.701 6.525 4.003 280 HD13 ILE 37 3HD1 ILE 37 -5.391 5.856 3.030 281 H GLU 38 H GLU 38 -2.436 9.108 6.496 282 HA GLU 38 HA GLU 38 -3.363 11.004 8.503 283 HB2 GLU 38 1HB GLU 38 -0.998 11.159 6.626 284 HB3 GLU 38 2HB GLU 38 -1.340 12.271 7.944 285 HG2 GLU 38 1HG GLU 38 -1.034 9.355 8.495 286 HG3 GLU 38 2HG GLU 38 0.389 10.370 8.269 287 HA PRO 39 HA PRO 39 -5.671 13.482 5.694 288 HB2 PRO 39 1HB PRO 39 -5.548 15.858 7.000 289 HB3 PRO 39 2HB PRO 39 -6.547 14.509 7.553 290 HG2 PRO 39 1HG PRO 39 -3.846 15.381 8.506 291 HG3 PRO 39 2HG PRO 39 -5.252 14.859 9.452 292 HD2 PRO 39 1HD PRO 39 -3.162 13.220 8.924 293 HD3 PRO 39 2HD PRO 39 -4.826 12.623 9.088 294 H GLY 40 H GLY 40 -5.382 14.908 4.008 295 HA2 GLY 40 1HA GLY 40 -4.161 15.962 2.365 296 HA3 GLY 40 2HA GLY 40 -3.535 16.912 3.705 297 H SER 41 H SER 41 -2.973 13.482 3.521 298 HA SER 41 HA SER 41 -0.114 14.026 3.174 299 HB2 SER 41 1HB SER 41 0.322 11.987 4.277 300 HB3 SER 41 2HB SER 41 -1.051 12.668 5.149 301 HG SER 41 HG SER 41 -2.365 11.329 3.676 302 HA PRO 42 HA PRO 42 0.433 12.440 -0.865 303 HB2 PRO 42 1HB PRO 42 2.258 10.411 0.341 304 HB3 PRO 42 2HB PRO 42 2.542 11.524 -1.002 305 HG2 PRO 42 1HG PRO 42 3.566 11.981 1.432 306 HG3 PRO 42 2HG PRO 42 3.003 13.305 0.395 307 HD2 PRO 42 1HD PRO 42 1.783 12.157 2.828 308 HD3 PRO 42 2HD PRO 42 1.681 13.802 2.170 309 H ALA 43 H ALA 43 -0.299 10.238 1.750 310 HA ALA 43 HA ALA 43 -0.974 8.020 0.058 311 HB1 ALA 43 1HB ALA 43 -1.268 8.593 2.982 312 HB2 ALA 43 2HB ALA 43 -2.046 7.188 2.252 313 HB3 ALA 43 3HB ALA 43 -0.293 7.362 2.178 314 H GLU 44 H GLU 44 -2.855 10.345 1.994 315 HA GLU 44 HA GLU 44 -5.383 9.388 1.148 316 HB2 GLU 44 1HB GLU 44 -5.054 10.713 3.203 317 HB3 GLU 44 2HB GLU 44 -4.641 12.114 2.225 318 HG2 GLU 44 1HG GLU 44 -6.808 12.427 1.511 319 HG3 GLU 44 2HG GLU 44 -7.262 10.752 1.819 320 H ALA 45 H ALA 45 -3.150 11.757 -0.131 321 HA ALA 45 HA ALA 45 -5.035 12.803 -2.050 322 HB1 ALA 45 1HB ALA 45 -3.241 14.195 -1.061 323 HB2 ALA 45 2HB ALA 45 -2.052 13.217 -1.923 324 HB3 ALA 45 3HB ALA 45 -3.222 14.181 -2.825 325 H ALA 46 H ALA 46 -2.728 10.242 -1.899 326 HA ALA 46 HA ALA 46 -2.249 9.957 -4.686 327 HB1 ALA 46 1HB ALA 46 -1.575 7.585 -3.956 328 HB2 ALA 46 2HB ALA 46 -0.648 8.948 -3.329 329 HB3 ALA 46 3HB ALA 46 -1.860 8.166 -2.315 330 H GLY 47 H GLY 47 -4.768 8.874 -2.530 331 HA2 GLY 47 1HA GLY 47 -6.933 8.430 -3.615 332 HA3 GLY 47 2HA GLY 47 -6.045 7.506 -4.818 333 H LEU 48 H LEU 48 -4.700 6.998 -1.805 334 HA LEU 48 HA LEU 48 -5.344 4.286 -1.708 335 HB2 LEU 48 1HB LEU 48 -4.160 6.245 0.180 336 HB3 LEU 48 2HB LEU 48 -4.717 4.709 0.842 337 HG LEU 48 HG LEU 48 -2.573 5.147 -1.230 338 HD11 LEU 48 1HD1 LEU 48 -2.597 4.130 1.599 339 HD12 LEU 48 2HD1 LEU 48 -1.716 5.508 0.939 340 HD13 LEU 48 3HD1 LEU 48 -1.246 3.867 0.497 341 HD21 LEU 48 1HD2 LEU 48 -2.525 2.485 -0.608 342 HD22 LEU 48 2HD2 LEU 48 -3.215 3.177 -2.076 343 HD23 LEU 48 3HD2 LEU 48 -4.255 2.816 -0.697 344 H LYS 49 H LYS 49 -6.235 3.476 0.637 345 HA LYS 49 HA LYS 49 -8.575 4.873 1.533 346 HB2 LYS 49 1HB LYS 49 -8.846 2.424 -0.205 347 HB3 LYS 49 2HB LYS 49 -10.106 2.922 0.918 348 HG2 LYS 49 1HG LYS 49 -9.850 5.222 -0.332 349 HG3 LYS 49 2HG LYS 49 -9.206 4.192 -1.613 350 HD2 LYS 49 1HD LYS 49 -11.269 2.806 -1.446 351 HD3 LYS 49 2HD LYS 49 -11.912 3.980 -0.297 352 HE2 LYS 49 1HE LYS 49 -10.958 4.800 -3.022 353 HE3 LYS 49 2HE LYS 49 -12.595 4.202 -2.759 354 HZ1 LYS 49 1HZ LYS 49 -11.777 6.778 -2.476 355 HZ2 LYS 49 2HZ LYS 49 -11.835 6.226 -0.879 356 HZ3 LYS 49 3HZ LYS 49 -13.211 6.127 -1.859 357 H ASN 50 H ASN 50 -9.090 4.280 3.565 358 HA ASN 50 HA ASN 50 -7.398 2.730 5.109 359 HB2 ASN 50 1HB ASN 50 -10.322 3.317 5.628 360 HB3 ASN 50 2HB ASN 50 -9.149 2.798 6.835 361 HD21 ASN 50 1HD2 ASN 50 -7.422 4.224 7.367 362 HD22 ASN 50 2HD2 ASN 50 -7.601 5.929 7.155 363 H ASN 51 H ASN 51 -7.478 0.647 5.945 364 HA ASN 51 HA ASN 51 -7.844 -1.597 5.941 365 HB2 ASN 51 1HB ASN 51 -10.578 -0.580 5.207 366 HB3 ASN 51 2HB ASN 51 -10.248 -2.307 5.293 367 HD21 ASN 51 1HD2 ASN 51 -12.125 -1.280 6.915 368 HD22 ASN 51 2HD2 ASN 51 -11.567 -1.247 8.550 369 H ASP 52 H ASP 52 -6.598 -0.473 3.689 370 HA ASP 52 HA ASP 52 -7.721 -1.838 1.370 371 HB2 ASP 52 1HB ASP 52 -5.658 0.259 1.807 372 HB3 ASP 52 2HB ASP 52 -5.461 -0.781 0.399 373 H LEU 53 H LEU 53 -7.082 -3.784 0.723 374 HA LEU 53 HA LEU 53 -4.826 -5.046 2.070 375 HB2 LEU 53 1HB LEU 53 -7.085 -6.140 1.839 376 HB3 LEU 53 2HB LEU 53 -6.747 -6.292 0.116 377 HG LEU 53 HG LEU 53 -4.721 -7.650 0.743 378 HD11 LEU 53 1HD1 LEU 53 -4.103 -7.669 2.874 379 HD12 LEU 53 2HD1 LEU 53 -5.538 -8.632 3.224 380 HD13 LEU 53 3HD1 LEU 53 -5.598 -6.876 3.373 381 HD21 LEU 53 1HD2 LEU 53 -7.447 -8.671 1.533 382 HD22 LEU 53 2HD2 LEU 53 -6.037 -9.682 1.220 383 HD23 LEU 53 3HD2 LEU 53 -6.732 -8.711 -0.079 384 H VAL 54 H VAL 54 -2.891 -4.802 1.173 385 HA VAL 54 HA VAL 54 -2.651 -4.463 -1.718 386 HB VAL 54 HB VAL 54 -0.503 -4.273 0.399 387 HG11 VAL 54 1HG1 VAL 54 -0.297 -4.498 -2.376 388 HG12 VAL 54 2HG1 VAL 54 -0.047 -2.787 -2.027 389 HG13 VAL 54 3HG1 VAL 54 0.965 -4.004 -1.249 390 HG21 VAL 54 1HG2 VAL 54 -1.726 -1.930 -1.004 391 HG22 VAL 54 2HG2 VAL 54 -2.488 -2.603 0.437 392 HG23 VAL 54 3HG2 VAL 54 -0.839 -1.982 0.520 393 H VAL 55 H VAL 55 -1.967 -6.017 -3.044 394 HA VAL 55 HA VAL 55 -0.908 -8.490 -1.847 395 HB VAL 55 HB VAL 55 -1.674 -9.636 -3.893 396 HG11 VAL 55 1HG1 VAL 55 -4.228 -9.011 -3.454 397 HG12 VAL 55 2HG1 VAL 55 -3.271 -9.952 -2.309 398 HG13 VAL 55 3HG1 VAL 55 -3.511 -8.224 -2.049 399 HG21 VAL 55 1HG2 VAL 55 -2.624 -6.879 -4.609 400 HG22 VAL 55 2HG2 VAL 55 -1.635 -7.986 -5.561 401 HG23 VAL 55 3HG2 VAL 55 -3.348 -8.326 -5.312 402 H ALA 56 H ALA 56 -0.273 -5.923 -4.064 403 HA ALA 56 HA ALA 56 2.367 -7.075 -4.605 404 HB1 ALA 56 1HB ALA 56 2.277 -6.749 -6.913 405 HB2 ALA 56 2HB ALA 56 0.708 -7.454 -6.523 406 HB3 ALA 56 3HB ALA 56 0.849 -5.719 -6.806 407 H VAL 57 H VAL 57 4.020 -5.586 -4.835 408 HA VAL 57 HA VAL 57 3.305 -2.747 -4.553 409 HB VAL 57 HB VAL 57 5.467 -4.144 -2.971 410 HG11 VAL 57 1HG1 VAL 57 5.697 -1.662 -3.774 411 HG12 VAL 57 2HG1 VAL 57 4.554 -1.350 -2.466 412 HG13 VAL 57 3HG1 VAL 57 6.108 -2.108 -2.118 413 HG21 VAL 57 1HG2 VAL 57 3.165 -2.773 -1.689 414 HG22 VAL 57 2HG2 VAL 57 2.889 -4.364 -2.399 415 HG23 VAL 57 3HG2 VAL 57 4.106 -4.159 -1.139 416 H ASN 58 H ASN 58 4.160 -1.634 -6.169 417 HA ASN 58 HA ASN 58 5.535 -0.959 -7.850 418 HB2 ASN 58 1HB ASN 58 7.428 -2.026 -5.800 419 HB3 ASN 58 2HB ASN 58 8.062 -1.604 -7.388 420 HD21 ASN 58 1HD2 ASN 58 8.444 -0.409 -4.702 421 HD22 ASN 58 2HD2 ASN 58 8.050 1.262 -4.893 422 H GLY 59 H GLY 59 4.209 -3.477 -8.150 423 HA2 GLY 59 1HA GLY 59 4.149 -5.107 -9.780 424 HA3 GLY 59 2HA GLY 59 5.678 -4.488 -10.387 425 H LYS 60 H LYS 60 5.174 -5.558 -7.086 426 HA LYS 60 HA LYS 60 6.654 -8.028 -7.646 427 HB2 LYS 60 1HB LYS 60 7.358 -5.980 -5.541 428 HB3 LYS 60 2HB LYS 60 8.003 -7.616 -5.563 429 HG2 LYS 60 1HG LYS 60 8.303 -5.797 -7.924 430 HG3 LYS 60 2HG LYS 60 9.423 -5.734 -6.561 431 HD2 LYS 60 1HD LYS 60 10.046 -8.027 -6.888 432 HD3 LYS 60 2HD LYS 60 8.791 -8.243 -8.110 433 HE2 LYS 60 1HE LYS 60 9.939 -6.991 -9.690 434 HE3 LYS 60 2HE LYS 60 10.910 -6.162 -8.474 435 HZ1 LYS 60 1HZ LYS 60 12.493 -7.642 -8.854 436 HZ2 LYS 60 2HZ LYS 60 11.504 -8.523 -9.905 437 HZ3 LYS 60 3HZ LYS 60 11.490 -8.861 -8.247 438 H SER 61 H SER 61 5.867 -9.762 -6.616 439 HA SER 61 HA SER 61 3.452 -9.600 -5.162 440 HB2 SER 61 1HB SER 61 5.270 -11.994 -5.054 441 HB3 SER 61 2HB SER 61 3.508 -11.943 -5.076 442 HG SER 61 HG SER 61 3.869 -12.386 -7.123 443 H VAL 62 H VAL 62 3.385 -8.632 -3.231 444 HA VAL 62 HA VAL 62 5.499 -9.220 -1.275 445 HB VAL 62 HB VAL 62 4.896 -7.241 -0.108 446 HG11 VAL 62 1HG1 VAL 62 5.735 -7.207 -2.770 447 HG12 VAL 62 2HG1 VAL 62 4.542 -5.913 -2.640 448 HG13 VAL 62 3HG1 VAL 62 5.944 -5.934 -1.569 449 HG21 VAL 62 1HG2 VAL 62 2.536 -7.302 -0.103 450 HG22 VAL 62 2HG2 VAL 62 2.974 -5.816 -0.947 451 HG23 VAL 62 3HG2 VAL 62 2.454 -7.230 -1.864 452 H GLU 63 H GLU 63 2.208 -9.799 -2.014 453 HA GLU 63 HA GLU 63 1.047 -10.124 0.485 454 HB2 GLU 63 1HB GLU 63 -0.686 -11.165 -0.600 455 HB3 GLU 63 2HB GLU 63 0.091 -10.372 -1.963 456 HG2 GLU 63 1HG GLU 63 1.389 -12.582 -2.221 457 HG3 GLU 63 2HG GLU 63 0.126 -13.259 -1.195 458 H ALA 64 H ALA 64 3.465 -12.008 -1.069 459 HA ALA 64 HA ALA 64 3.031 -14.363 0.559 460 HB1 ALA 64 1HB ALA 64 5.459 -13.855 -1.125 461 HB2 ALA 64 2HB ALA 64 4.713 -15.393 -0.690 462 HB3 ALA 64 3HB ALA 64 3.919 -14.323 -1.846 463 H LEU 65 H LEU 65 4.758 -11.419 0.783 464 HA LEU 65 HA LEU 65 6.740 -12.411 2.645 465 HB2 LEU 65 1HB LEU 65 6.106 -9.777 1.405 466 HB3 LEU 65 2HB LEU 65 7.073 -9.814 2.878 467 HG LEU 65 HG LEU 65 7.837 -11.394 0.438 468 HD11 LEU 65 1HD1 LEU 65 8.763 -8.607 1.108 469 HD12 LEU 65 2HD1 LEU 65 7.585 -8.992 -0.147 470 HD13 LEU 65 3HD1 LEU 65 9.239 -9.589 -0.278 471 HD21 LEU 65 1HD2 LEU 65 10.074 -11.219 1.452 472 HD22 LEU 65 2HD2 LEU 65 8.920 -12.034 2.507 473 HD23 LEU 65 3HD2 LEU 65 9.370 -10.357 2.820 474 H ASP 66 H ASP 66 6.992 -10.830 4.668 475 HA ASP 66 HA ASP 66 4.403 -10.935 6.063 476 HB2 ASP 66 1HB ASP 66 7.048 -10.743 7.471 477 HB3 ASP 66 2HB ASP 66 5.525 -11.409 8.055 478 H HIS 67 H HIS 67 4.713 -9.357 8.166 479 HA HIS 67 HA HIS 67 4.139 -6.825 7.375 480 HB2 HIS 67 1HB HIS 67 3.887 -7.617 9.688 481 HB3 HIS 67 2HB HIS 67 5.635 -7.578 9.896 482 HD1 HIS 67 1HD HIS 67 2.724 -5.615 10.534 483 HD2 HIS 67 2HD HIS 67 6.647 -4.776 9.452 484 HE1 HIS 67 1HE HIS 67 3.082 -3.197 11.125 485 HE2 HIS 67 2HE HIS 67 5.434 -2.689 10.383 486 H ASP 68 H ASP 68 7.355 -7.734 8.630 487 HA ASP 68 HA ASP 68 8.664 -5.379 7.961 488 HB2 ASP 68 1HB ASP 68 9.816 -8.176 8.049 489 HB3 ASP 68 2HB ASP 68 10.748 -6.682 8.106 490 H GLY 69 H GLY 69 8.514 -8.412 6.091 491 HA2 GLY 69 1HA GLY 69 10.020 -7.726 3.906 492 HA3 GLY 69 2HA GLY 69 8.601 -8.759 3.817 493 H VAL 70 H VAL 70 6.466 -7.432 3.913 494 HA VAL 70 HA VAL 70 6.263 -5.935 1.584 495 HB VAL 70 HB VAL 70 4.387 -5.582 3.912 496 HG11 VAL 70 1HG1 VAL 70 4.404 -4.725 1.205 497 HG12 VAL 70 2HG1 VAL 70 3.100 -5.897 1.404 498 HG13 VAL 70 3HG1 VAL 70 3.166 -4.467 2.434 499 HG21 VAL 70 1HG2 VAL 70 3.268 -7.588 2.475 500 HG22 VAL 70 2HG2 VAL 70 4.978 -8.000 2.347 501 HG23 VAL 70 3HG2 VAL 70 4.229 -7.828 3.934 502 H VAL 71 H VAL 71 6.544 -4.823 4.941 503 HA VAL 71 HA VAL 71 6.357 -2.059 4.349 504 HB VAL 71 HB VAL 71 7.674 -3.390 6.721 505 HG11 VAL 71 1HG1 VAL 71 8.414 -1.264 6.989 506 HG12 VAL 71 2HG1 VAL 71 7.121 -0.572 6.007 507 HG13 VAL 71 3HG1 VAL 71 6.803 -1.053 7.674 508 HG21 VAL 71 1HG2 VAL 71 5.045 -3.563 5.994 509 HG22 VAL 71 2HG2 VAL 71 5.655 -3.711 7.642 510 HG23 VAL 71 3HG2 VAL 71 5.042 -2.161 7.065 511 H GLU 72 H GLU 72 8.894 -4.345 4.026 512 HA GLU 72 HA GLU 72 11.068 -2.483 4.180 513 HB2 GLU 72 1HB GLU 72 11.160 -5.016 4.562 514 HB3 GLU 72 2HB GLU 72 11.147 -5.163 2.810 515 HG2 GLU 72 1HG GLU 72 13.217 -4.049 2.604 516 HG3 GLU 72 2HG GLU 72 13.177 -3.514 4.283 517 H MET 73 H MET 73 9.299 -4.067 1.543 518 HA MET 73 HA MET 73 10.752 -3.150 -0.619 519 HB2 MET 73 1HB MET 73 7.758 -3.526 -0.419 520 HB3 MET 73 2HB MET 73 8.658 -3.379 -1.922 521 HG2 MET 73 1HG MET 73 9.287 -5.518 0.077 522 HG3 MET 73 2HG MET 73 8.012 -5.715 -1.123 523 HE1 MET 73 1HE MET 73 8.887 -5.000 -3.989 524 HE2 MET 73 2HE MET 73 9.673 -6.549 -4.297 525 HE3 MET 73 3HE MET 73 8.234 -6.476 -3.278 526 H ILE 74 H ILE 74 7.961 -1.573 0.934 527 HA ILE 74 HA ILE 74 7.771 0.678 -0.643 528 HB ILE 74 HB ILE 74 7.331 0.440 2.333 529 HG12 ILE 74 1HG1 ILE 74 5.149 0.674 0.310 530 HG13 ILE 74 2HG1 ILE 74 5.978 -0.871 0.463 531 HG21 ILE 74 1HG2 ILE 74 5.738 2.489 1.237 532 HG22 ILE 74 2HG2 ILE 74 7.046 2.638 2.409 533 HG23 ILE 74 3HG2 ILE 74 7.388 2.772 0.684 534 HD11 ILE 74 1HD1 ILE 74 5.131 -1.273 2.537 535 HD12 ILE 74 2HD1 ILE 74 4.978 0.440 2.930 536 HD13 ILE 74 3HD1 ILE 74 3.816 -0.324 1.846 537 H ARG 75 H ARG 75 9.990 0.039 2.022 538 HA ARG 75 HA ARG 75 11.073 2.662 2.149 539 HB2 ARG 75 1HB ARG 75 12.078 -0.017 3.103 540 HB3 ARG 75 2HB ARG 75 12.974 1.475 3.356 541 HG2 ARG 75 1HG ARG 75 11.361 2.341 4.800 542 HG3 ARG 75 2HG ARG 75 10.131 1.200 4.254 543 HD2 ARG 75 1HD ARG 75 11.206 -0.612 5.361 544 HD3 ARG 75 2HD ARG 75 12.638 0.362 5.693 545 HE ARG 75 HE ARG 75 10.150 0.361 7.162 546 HH11 ARG 75 2HH1 ARG 75 13.112 2.053 6.464 547 HH12 ARG 75 1HH1 ARG 75 13.082 2.977 7.930 548 HH21 ARG 75 2HH2 ARG 75 10.100 1.572 9.095 549 HH22 ARG 75 1HH2 ARG 75 11.369 2.701 9.426 550 H LYS 76 H LYS 76 11.785 -0.176 0.240 551 HA LYS 76 HA LYS 76 14.339 0.616 -0.687 552 HB2 LYS 76 1HB LYS 76 12.339 -1.149 -2.107 553 HB3 LYS 76 2HB LYS 76 14.078 -1.106 -2.365 554 HG2 LYS 76 1HG LYS 76 13.089 -1.725 0.365 555 HG3 LYS 76 2HG LYS 76 12.934 -2.963 -0.884 556 HD2 LYS 76 1HD LYS 76 15.013 -3.453 -0.026 557 HD3 LYS 76 2HD LYS 76 15.441 -2.374 -1.356 558 HE2 LYS 76 1HE LYS 76 15.778 -0.550 0.108 559 HE3 LYS 76 2HE LYS 76 14.998 -1.387 1.450 560 HZ1 LYS 76 1HZ LYS 76 17.714 -1.615 0.453 561 HZ2 LYS 76 2HZ LYS 76 16.980 -3.071 0.902 562 HZ3 LYS 76 3HZ LYS 76 17.115 -1.812 2.023 563 H GLY 77 H GLY 77 11.065 1.258 -1.793 564 HA2 GLY 77 1HA GLY 77 11.535 2.233 -4.340 565 HA3 GLY 77 2HA GLY 77 10.260 2.814 -3.279 566 H GLY 78 H GLY 78 12.542 3.580 -1.348 567 HA2 GLY 78 1HA GLY 78 14.037 5.346 -1.062 568 HA3 GLY 78 2HA GLY 78 13.815 5.774 -2.752 569 H ASP 79 H ASP 79 12.239 7.238 -3.332 570 HA ASP 79 HA ASP 79 11.101 8.759 -1.098 571 HB2 ASP 79 1HB ASP 79 11.648 9.465 -3.981 572 HB3 ASP 79 2HB ASP 79 10.689 10.494 -2.920 573 H GLN 80 H GLN 80 10.178 7.465 -4.281 574 HA GLN 80 HA GLN 80 7.364 7.598 -3.434 575 HB2 GLN 80 1HB GLN 80 6.736 7.701 -5.728 576 HB3 GLN 80 2HB GLN 80 8.044 8.855 -5.508 577 HG2 GLN 80 1HG GLN 80 9.622 7.211 -6.428 578 HG3 GLN 80 2HG GLN 80 8.280 6.100 -6.697 579 HE21 GLN 80 1HE2 GLN 80 8.370 6.005 -8.881 580 HE22 GLN 80 2HE2 GLN 80 8.079 7.354 -9.921 581 H THR 81 H THR 81 5.963 5.827 -4.070 582 HA THR 81 HA THR 81 7.170 3.322 -4.852 583 HB THR 81 HB THR 81 7.698 3.128 -2.544 584 HG1 THR 81 1HG THR 81 6.867 1.195 -3.082 585 HG21 THR 81 1HG2 THR 81 4.944 4.237 -2.102 586 HG22 THR 81 2HG2 THR 81 6.485 4.800 -1.455 587 HG23 THR 81 3HG2 THR 81 5.763 3.312 -0.844 588 H THR 82 H THR 82 5.656 1.756 -5.478 589 HA THR 82 HA THR 82 2.952 2.823 -5.887 590 HB THR 82 HB THR 82 4.284 0.492 -7.280 591 HG1 THR 82 1HG THR 82 3.724 2.953 -8.524 592 HG21 THR 82 1HG2 THR 82 1.686 0.725 -7.097 593 HG22 THR 82 2HG2 THR 82 2.427 0.342 -8.651 594 HG23 THR 82 3HG2 THR 82 1.908 1.991 -8.304 595 H LEU 83 H LEU 83 1.172 1.825 -5.107 596 HA LEU 83 HA LEU 83 1.566 -0.701 -3.642 597 HB2 LEU 83 1HB LEU 83 -0.550 1.227 -2.825 598 HB3 LEU 83 2HB LEU 83 0.311 0.028 -1.862 599 HG LEU 83 HG LEU 83 1.262 2.754 -2.710 600 HD11 LEU 83 1HD1 LEU 83 -0.097 2.792 -0.746 601 HD12 LEU 83 2HD1 LEU 83 1.584 2.986 -0.250 602 HD13 LEU 83 3HD1 LEU 83 0.780 1.430 -0.049 603 HD21 LEU 83 1HD2 LEU 83 2.824 0.397 -2.374 604 HD22 LEU 83 2HD2 LEU 83 3.146 1.486 -1.025 605 HD23 LEU 83 3HD2 LEU 83 3.364 2.047 -2.683 606 H LEU 84 H LEU 84 0.341 -2.332 -4.311 607 HA LEU 84 HA LEU 84 -1.971 -1.731 -6.024 608 HB2 LEU 84 1HB LEU 84 -0.142 -3.087 -6.995 609 HB3 LEU 84 2HB LEU 84 -0.425 -4.306 -5.754 610 HG LEU 84 HG LEU 84 -2.685 -3.533 -7.536 611 HD11 LEU 84 1HD1 LEU 84 -0.595 -3.915 -8.936 612 HD12 LEU 84 2HD1 LEU 84 -2.001 -4.913 -9.305 613 HD13 LEU 84 3HD1 LEU 84 -0.661 -5.586 -8.376 614 HD21 LEU 84 1HD2 LEU 84 -3.337 -5.824 -7.179 615 HD22 LEU 84 2HD2 LEU 84 -2.972 -5.077 -5.624 616 HD23 LEU 84 3HD2 LEU 84 -1.809 -6.172 -6.371 617 H VAL 85 H VAL 85 -3.778 -1.677 -4.844 618 HA VAL 85 HA VAL 85 -4.176 -3.743 -2.785 619 HB VAL 85 HB VAL 85 -5.704 -2.314 -1.679 620 HG11 VAL 85 1HG1 VAL 85 -3.102 -1.230 -2.476 621 HG12 VAL 85 2HG1 VAL 85 -4.235 -0.027 -1.856 622 HG13 VAL 85 3HG1 VAL 85 -3.807 -1.428 -0.873 623 HG21 VAL 85 1HG2 VAL 85 -7.104 -1.179 -3.012 624 HG22 VAL 85 2HG2 VAL 85 -5.881 0.091 -2.971 625 HG23 VAL 85 3HG2 VAL 85 -5.917 -1.056 -4.311 626 H LEU 86 H LEU 86 -6.251 -4.747 -2.612 627 HA LEU 86 HA LEU 86 -7.499 -5.143 -5.216 628 HB2 LEU 86 1HB LEU 86 -6.755 -6.947 -3.436 629 HB3 LEU 86 2HB LEU 86 -8.358 -6.622 -2.781 630 HG LEU 86 HG LEU 86 -8.641 -8.497 -4.146 631 HD11 LEU 86 1HD1 LEU 86 -10.245 -7.813 -5.650 632 HD12 LEU 86 2HD1 LEU 86 -9.325 -6.395 -6.152 633 HD13 LEU 86 3HD1 LEU 86 -10.135 -6.411 -4.585 634 HD21 LEU 86 1HD2 LEU 86 -7.603 -8.926 -6.168 635 HD22 LEU 86 2HD2 LEU 86 -6.356 -8.043 -5.286 636 HD23 LEU 86 3HD2 LEU 86 -7.326 -7.218 -6.508 637 H ASP 87 H ASP 87 -9.523 -4.532 -5.732 638 HA ASP 87 HA ASP 87 -10.936 -2.839 -3.827 639 HB2 ASP 87 1HB ASP 87 -12.452 -2.574 -5.974 640 HB3 ASP 87 2HB ASP 87 -10.910 -1.732 -5.847 641 H LYS 88 H LYS 88 -11.827 -5.454 -6.087 642 HA LYS 88 HA LYS 88 -14.357 -6.012 -5.445 643 HB2 LYS 88 1HB LYS 88 -12.569 -7.365 -6.841 644 HB3 LYS 88 2HB LYS 88 -12.495 -8.349 -5.385 645 HG2 LYS 88 1HG LYS 88 -14.615 -9.156 -5.652 646 HG3 LYS 88 2HG LYS 88 -15.163 -7.733 -6.542 647 HD2 LYS 88 1HD LYS 88 -13.731 -8.464 -8.450 648 HD3 LYS 88 2HD LYS 88 -13.388 -9.949 -7.560 649 HE2 LYS 88 1HE LYS 88 -15.663 -10.621 -7.639 650 HE3 LYS 88 2HE LYS 88 -16.181 -9.037 -8.215 651 HZ1 LYS 88 1HZ LYS 88 -14.236 -10.334 -9.904 652 HZ2 LYS 88 2HZ LYS 88 -15.680 -9.556 -10.316 653 HZ3 LYS 88 3HZ LYS 88 -15.706 -11.164 -9.791 654 H GLU 89 H GLU 89 -11.577 -6.871 -3.431 655 HA GLU 89 HA GLU 89 -13.456 -7.501 -1.250 656 HB2 GLU 89 1HB GLU 89 -10.644 -8.565 -1.478 657 HB3 GLU 89 2HB GLU 89 -11.913 -9.098 -0.384 658 HG2 GLU 89 1HG GLU 89 -12.389 -9.309 -3.308 659 HG3 GLU 89 2HG GLU 89 -11.291 -10.458 -2.546 660 H ALA 90 H ALA 90 -12.890 -4.902 -1.561 661 HA ALA 90 HA ALA 90 -10.652 -4.237 0.200 662 HB1 ALA 90 1HB ALA 90 -12.208 -2.788 -1.845 663 HB2 ALA 90 2HB ALA 90 -11.657 -1.838 -0.465 664 HB3 ALA 90 3HB ALA 90 -10.490 -2.711 -1.457 665 H GLU 91 H GLU 91 -14.166 -3.905 -0.018 666 HA GLU 91 HA GLU 91 -14.557 -2.368 2.292 667 HB2 GLU 91 1HB GLU 91 -16.240 -2.946 0.455 668 HB3 GLU 91 2HB GLU 91 -16.485 -4.464 1.308 669 HG2 GLU 91 1HG GLU 91 -17.367 -3.381 3.199 670 HG3 GLU 91 2HG GLU 91 -16.804 -1.802 2.654 671 H SER 92 H SER 92 -14.388 -2.822 4.385 672 HA SER 92 HA SER 92 -14.393 -5.648 5.216 673 HB2 SER 92 1HB SER 92 -12.116 -4.339 5.190 674 HB3 SER 92 2HB SER 92 -12.737 -3.619 6.676 675 HG SER 92 HG SER 92 -12.154 -6.326 6.128 676 H ILE 93 H ILE 93 -16.290 -5.878 6.229 677 HA ILE 93 HA ILE 93 -16.991 -3.893 8.293 678 HB ILE 93 HB ILE 93 -19.352 -4.447 7.934 679 HG12 ILE 93 1HG1 ILE 93 -19.701 -5.648 5.584 680 HG13 ILE 93 2HG1 ILE 93 -18.159 -6.385 6.006 681 HG21 ILE 93 1HG2 ILE 93 -19.491 -2.808 6.434 682 HG22 ILE 93 2HG2 ILE 93 -17.732 -2.879 6.333 683 HG23 ILE 93 3HG2 ILE 93 -18.719 -3.785 5.185 684 HD11 ILE 93 1HD1 ILE 93 -20.244 -6.404 8.093 685 HD12 ILE 93 2HD1 ILE 93 -20.513 -7.430 6.683 686 HD13 ILE 93 3HD1 ILE 93 -19.056 -7.632 7.655 687 H TYR 94 H TYR 94 -18.105 -4.711 10.165 688 HA TYR 94 HA TYR 94 -18.049 -7.587 10.602 689 HB2 TYR 94 1HB TYR 94 -16.357 -5.623 12.138 690 HB3 TYR 94 2HB TYR 94 -16.831 -7.174 12.822 691 HD1 TYR 94 2HD TYR 94 -16.487 -9.145 10.876 692 HD2 TYR 94 1HD TYR 94 -14.184 -5.604 11.390 693 HE1 TYR 94 2HE TYR 94 -14.584 -10.226 9.753 694 HE2 TYR 94 1HE TYR 94 -12.276 -6.675 10.267 695 HH TYR 94 HH TYR 94 -11.429 -8.759 9.660 696 H SER 95 H SER 95 -19.251 -8.259 12.454 697 HA SER 95 HA SER 95 -21.018 -6.179 13.563 698 HB2 SER 95 1HB SER 95 -22.851 -7.870 13.541 699 HB3 SER 95 2HB SER 95 -22.287 -7.441 11.925 700 HG SER 95 HG SER 95 -22.573 -9.778 12.508 701 H LEU 96 H LEU 96 -21.379 -6.237 15.717 702 HA LEU 96 HA LEU 96 -20.669 -8.606 17.253 703 HB2 LEU 96 1HB LEU 96 -18.615 -7.192 17.034 704 HB3 LEU 96 2HB LEU 96 -19.473 -5.917 17.897 705 HG LEU 96 HG LEU 96 -19.179 -8.604 19.167 706 HD11 LEU 96 1HD1 LEU 96 -17.041 -8.039 20.073 707 HD12 LEU 96 2HD1 LEU 96 -17.064 -6.463 19.284 708 HD13 LEU 96 3HD1 LEU 96 -16.936 -7.931 18.315 709 HD21 LEU 96 1HD2 LEU 96 -19.016 -7.081 21.187 710 HD22 LEU 96 2HD2 LEU 96 -20.570 -7.117 20.353 711 HD23 LEU 96 3HD2 LEU 96 -19.467 -5.762 20.106 712 H SER 97 H SER 97 -22.058 -8.924 18.872 713 HA SER 97 HA SER 97 -23.207 -6.839 20.419 714 HB2 SER 97 1HB SER 97 -24.484 -6.873 18.118 715 HB3 SER 97 2HB SER 97 -25.294 -8.274 18.818 716 HG SER 97 HG SER 97 -25.921 -6.956 20.564 717 H GLY 98 H GLY 98 -23.152 -7.791 22.342 718 HA2 GLY 98 1HA GLY 98 -24.416 -10.427 22.632 719 HA3 GLY 98 2HA GLY 98 -22.781 -10.204 23.236 720 HA PRO 99 HA PRO 99 -26.234 -8.666 26.221 721 HB2 PRO 99 1HB PRO 99 -26.773 -10.932 27.615 722 HB3 PRO 99 2HB PRO 99 -27.687 -10.445 26.183 723 HG2 PRO 99 1HG PRO 99 -25.463 -12.435 26.425 724 HG3 PRO 99 2HG PRO 99 -26.980 -12.557 25.514 725 HD2 PRO 99 1HD PRO 99 -24.622 -11.931 24.339 726 HD3 PRO 99 2HD PRO 99 -26.176 -11.296 23.761 727 H SER 100 H SER 100 -26.143 -9.120 28.744 728 HA SER 100 HA SER 100 -23.556 -9.923 29.726 729 HB2 SER 100 1HB SER 100 -22.861 -7.752 29.076 730 HB3 SER 100 2HB SER 100 -24.358 -7.016 29.647 731 HG SER 100 HG SER 100 -22.160 -7.151 30.971 732 H SER 101 H SER 101 -23.456 -10.012 32.027 733 HA SER 101 HA SER 101 -25.697 -9.250 33.637 734 HB2 SER 101 1HB SER 101 -25.430 -12.064 32.674 735 HB3 SER 101 2HB SER 101 -25.962 -11.799 34.334 736 HG SER 101 HG SER 101 -27.789 -11.808 33.117 737 H GLY 102 H GLY 102 -24.974 -8.846 35.626 738 HA2 GLY 102 1HA GLY 102 -23.321 -8.544 37.238 739 HA3 GLY 102 2HA GLY 102 -23.555 -10.281 37.374 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -6.893 -8.902 -25.874 2 HA2 GLY 1 1HA GLY 1 -8.983 -7.190 -25.465 3 HA3 GLY 1 2HA GLY 1 -9.159 -8.748 -26.257 4 H SER 2 H SER 2 -8.450 -7.909 -22.875 5 HA SER 2 HA SER 2 -10.473 -9.798 -22.002 6 HB2 SER 2 1HB SER 2 -9.537 -9.579 -19.825 7 HB3 SER 2 2HB SER 2 -8.170 -9.570 -20.939 8 HG SER 2 HG SER 2 -7.818 -7.880 -19.598 9 H SER 3 H SER 3 -11.951 -9.151 -20.198 10 HA SER 3 HA SER 3 -12.816 -6.353 -20.369 11 HB2 SER 3 1HB SER 3 -14.474 -8.792 -20.960 12 HB3 SER 3 2HB SER 3 -15.228 -7.313 -20.364 13 HG SER 3 HG SER 3 -14.980 -6.451 -22.262 14 H GLY 4 H GLY 4 -12.485 -5.697 -18.333 15 HA2 GLY 4 1HA GLY 4 -13.383 -5.479 -16.135 16 HA3 GLY 4 2HA GLY 4 -13.872 -7.166 -16.201 17 H SER 5 H SER 5 -11.712 -5.061 -14.864 18 HA SER 5 HA SER 5 -9.819 -7.244 -14.288 19 HB2 SER 5 1HB SER 5 -8.003 -5.596 -14.192 20 HB3 SER 5 2HB SER 5 -8.773 -5.582 -15.779 21 HG SER 5 HG SER 5 -9.762 -3.833 -13.846 22 H SER 6 H SER 6 -8.559 -6.829 -12.242 23 HA SER 6 HA SER 6 -10.169 -5.379 -10.253 24 HB2 SER 6 1HB SER 6 -10.048 -7.190 -8.696 25 HB3 SER 6 2HB SER 6 -10.606 -7.875 -10.222 26 HG SER 6 HG SER 6 -8.380 -8.447 -8.804 27 H GLY 7 H GLY 7 -8.986 -4.880 -8.258 28 HA2 GLY 7 1HA GLY 7 -7.084 -4.319 -7.050 29 HA3 GLY 7 2HA GLY 7 -6.108 -5.111 -8.278 30 H ARG 8 H ARG 8 -7.038 -2.166 -6.972 31 HA ARG 8 HA ARG 8 -6.575 -0.606 -9.375 32 HB2 ARG 8 1HB ARG 8 -7.079 1.324 -8.009 33 HB3 ARG 8 2HB ARG 8 -8.281 0.076 -7.709 34 HG2 ARG 8 1HG ARG 8 -7.267 -0.493 -5.620 35 HG3 ARG 8 2HG ARG 8 -5.896 0.570 -5.944 36 HD2 ARG 8 1HD ARG 8 -7.248 1.800 -4.485 37 HD3 ARG 8 2HD ARG 8 -7.625 2.450 -6.080 38 HE ARG 8 HE ARG 8 -9.381 0.939 -4.351 39 HH11 ARG 8 2HH1 ARG 8 -8.765 2.105 -7.572 40 HH12 ARG 8 1HH1 ARG 8 -10.420 1.988 -8.072 41 HH21 ARG 8 2HH2 ARG 8 -11.563 0.780 -4.996 42 HH22 ARG 8 1HH2 ARG 8 -12.011 1.235 -6.605 43 H VAL 9 H VAL 9 -4.948 1.089 -9.450 44 HA VAL 9 HA VAL 9 -2.457 0.218 -8.159 45 HB VAL 9 HB VAL 9 -2.874 1.968 -10.586 46 HG11 VAL 9 1HG1 VAL 9 -0.631 1.721 -8.841 47 HG12 VAL 9 2HG1 VAL 9 -0.219 1.024 -10.409 48 HG13 VAL 9 3HG1 VAL 9 -0.794 2.689 -10.307 49 HG21 VAL 9 1HG2 VAL 9 -2.434 -0.919 -10.185 50 HG22 VAL 9 2HG2 VAL 9 -3.235 -0.065 -11.503 51 HG23 VAL 9 3HG2 VAL 9 -1.475 -0.161 -11.457 52 H VAL 10 H VAL 10 -1.456 1.455 -6.701 53 HA VAL 10 HA VAL 10 -2.424 4.216 -6.333 54 HB VAL 10 HB VAL 10 -1.192 2.533 -4.160 55 HG11 VAL 10 1HG1 VAL 10 -3.104 4.810 -3.815 56 HG12 VAL 10 2HG1 VAL 10 -1.902 4.179 -2.687 57 HG13 VAL 10 3HG1 VAL 10 -1.390 5.113 -4.094 58 HG21 VAL 10 1HG2 VAL 10 -3.080 1.404 -3.829 59 HG22 VAL 10 2HG2 VAL 10 -4.044 2.879 -3.899 60 HG23 VAL 10 3HG2 VAL 10 -3.646 2.015 -5.384 61 H VAL 11 H VAL 11 -0.918 5.824 -5.803 62 HA VAL 11 HA VAL 11 1.919 5.106 -5.962 63 HB VAL 11 HB VAL 11 0.655 7.282 -7.635 64 HG11 VAL 11 1HG1 VAL 11 3.391 6.552 -8.253 65 HG12 VAL 11 2HG1 VAL 11 2.684 8.143 -7.968 66 HG13 VAL 11 3HG1 VAL 11 3.224 7.160 -6.606 67 HG21 VAL 11 1HG2 VAL 11 0.145 5.326 -8.770 68 HG22 VAL 11 2HG2 VAL 11 1.684 5.795 -9.492 69 HG23 VAL 11 3HG2 VAL 11 1.634 4.525 -8.269 70 H ILE 12 H ILE 12 3.014 6.037 -4.371 71 HA ILE 12 HA ILE 12 2.182 8.678 -3.405 72 HB ILE 12 HB ILE 12 2.942 6.486 -1.486 73 HG12 ILE 12 1HG1 ILE 12 0.118 7.430 -1.844 74 HG13 ILE 12 2HG1 ILE 12 0.751 6.152 -2.876 75 HG21 ILE 12 1HG2 ILE 12 1.741 8.063 0.099 76 HG22 ILE 12 2HG2 ILE 12 3.294 8.609 -0.533 77 HG23 ILE 12 3HG2 ILE 12 1.794 9.248 -1.205 78 HD11 ILE 12 1HD1 ILE 12 -0.067 6.080 -0.078 79 HD12 ILE 12 2HD1 ILE 12 0.027 4.786 -1.272 80 HD13 ILE 12 3HD1 ILE 12 1.474 5.285 -0.397 81 H LYS 13 H LYS 13 3.834 9.897 -2.403 82 HA LYS 13 HA LYS 13 6.550 8.805 -2.583 83 HB2 LYS 13 1HB LYS 13 7.245 11.094 -3.497 84 HB3 LYS 13 2HB LYS 13 6.451 9.988 -4.610 85 HG2 LYS 13 1HG LYS 13 5.303 11.882 -5.095 86 HG3 LYS 13 2HG LYS 13 4.295 11.278 -3.777 87 HD2 LYS 13 1HD LYS 13 5.044 12.866 -2.297 88 HD3 LYS 13 2HD LYS 13 6.594 13.056 -3.120 89 HE2 LYS 13 1HE LYS 13 5.486 15.036 -3.617 90 HE3 LYS 13 2HE LYS 13 5.196 14.046 -5.047 91 HZ1 LYS 13 1HZ LYS 13 3.301 14.432 -2.792 92 HZ2 LYS 13 2HZ LYS 13 3.022 13.466 -4.152 93 HZ3 LYS 13 3HZ LYS 13 3.176 15.142 -4.323 94 H LYS 14 H LYS 14 7.903 9.439 -0.981 95 HA LYS 14 HA LYS 14 7.053 10.274 1.449 96 HB2 LYS 14 1HB LYS 14 9.438 9.563 0.544 97 HB3 LYS 14 2HB LYS 14 9.710 11.300 0.552 98 HG2 LYS 14 1HG LYS 14 9.470 11.451 2.864 99 HG3 LYS 14 2HG LYS 14 8.657 9.888 2.974 100 HD2 LYS 14 1HD LYS 14 11.461 10.022 1.951 101 HD3 LYS 14 2HD LYS 14 11.163 10.128 3.688 102 HE2 LYS 14 1HE LYS 14 10.157 7.993 3.742 103 HE3 LYS 14 2HE LYS 14 10.013 7.932 1.986 104 HZ1 LYS 14 1HZ LYS 14 12.458 7.879 1.871 105 HZ2 LYS 14 2HZ LYS 14 11.817 6.542 2.684 106 HZ3 LYS 14 3HZ LYS 14 12.527 7.803 3.560 107 H GLY 15 H GLY 15 6.451 12.120 2.428 108 HA2 GLY 15 1HA GLY 15 6.939 14.661 1.015 109 HA3 GLY 15 2HA GLY 15 5.323 14.253 1.574 110 H SER 16 H SER 16 5.057 15.873 3.044 111 HA SER 16 HA SER 16 6.985 16.802 4.846 112 HB2 SER 16 1HB SER 16 4.586 17.711 4.183 113 HB3 SER 16 2HB SER 16 4.101 16.828 5.630 114 HG SER 16 HG SER 16 6.084 18.064 6.516 115 H ASN 17 H ASN 17 4.410 14.393 5.294 116 HA ASN 17 HA ASN 17 5.831 13.459 7.702 117 HB2 ASN 17 1HB ASN 17 2.873 13.128 7.199 118 HB3 ASN 17 2HB ASN 17 3.749 12.863 8.703 119 HD21 ASN 17 1HD2 ASN 17 1.483 14.499 8.430 120 HD22 ASN 17 2HD2 ASN 17 1.951 16.127 8.771 121 H GLY 18 H GLY 18 7.081 12.053 6.339 122 HA2 GLY 18 1HA GLY 18 7.536 10.077 5.252 123 HA3 GLY 18 2HA GLY 18 6.268 9.425 6.280 124 H TYR 19 H TYR 19 4.797 8.346 5.168 125 HA TYR 19 HA TYR 19 4.225 9.177 2.407 126 HB2 TYR 19 1HB TYR 19 3.987 6.525 3.816 127 HB3 TYR 19 2HB TYR 19 3.191 6.833 2.277 128 HD1 TYR 19 1HD TYR 19 6.441 6.455 3.956 129 HD2 TYR 19 2HD TYR 19 4.449 6.961 0.231 130 HE1 TYR 19 1HE TYR 19 8.517 5.871 2.774 131 HE2 TYR 19 2HE TYR 19 6.519 6.377 -0.962 132 HH TYR 19 HH TYR 19 9.358 6.543 0.095 133 H GLY 20 H GLY 20 2.708 8.245 5.462 134 HA2 GLY 20 1HA GLY 20 0.760 9.517 6.185 135 HA3 GLY 20 2HA GLY 20 0.233 9.543 4.509 136 H PHE 21 H PHE 21 1.225 6.598 4.478 137 HA PHE 21 HA PHE 21 -1.219 5.480 5.687 138 HB2 PHE 21 1HB PHE 21 -1.459 3.993 3.885 139 HB3 PHE 21 2HB PHE 21 -1.004 5.513 3.122 140 HD1 PHE 21 1HD PHE 21 1.290 5.827 2.267 141 HD2 PHE 21 2HD PHE 21 -0.065 2.079 3.761 142 HE1 PHE 21 1HE PHE 21 3.177 4.706 1.155 143 HE2 PHE 21 2HE PHE 21 1.820 0.952 2.652 144 HZ PHE 21 HZ PHE 21 3.445 2.266 1.348 145 H TYR 22 H TYR 22 -1.093 3.413 6.637 146 HA TYR 22 HA TYR 22 1.646 2.534 7.278 147 HB2 TYR 22 1HB TYR 22 -0.800 2.610 9.049 148 HB3 TYR 22 2HB TYR 22 0.675 1.746 9.468 149 HD1 TYR 22 1HD TYR 22 -0.869 5.041 9.058 150 HD2 TYR 22 2HD TYR 22 2.692 2.951 10.085 151 HE1 TYR 22 1HE TYR 22 0.061 7.107 10.015 152 HE2 TYR 22 2HE TYR 22 3.631 5.011 11.045 153 HH TYR 22 HH TYR 22 2.280 7.345 12.072 154 H LEU 23 H LEU 23 1.707 0.214 8.050 155 HA LEU 23 HA LEU 23 -0.249 -1.432 6.592 156 HB2 LEU 23 1HB LEU 23 2.745 -1.739 6.666 157 HB3 LEU 23 2HB LEU 23 1.648 -2.987 6.079 158 HG LEU 23 HG LEU 23 1.949 -0.235 4.875 159 HD11 LEU 23 1HD1 LEU 23 3.956 -1.383 4.423 160 HD12 LEU 23 2HD1 LEU 23 2.961 -1.573 2.980 161 HD13 LEU 23 3HD1 LEU 23 3.112 -2.904 4.127 162 HD21 LEU 23 1HD2 LEU 23 0.101 -0.675 3.732 163 HD22 LEU 23 2HD2 LEU 23 -0.109 -2.160 4.660 164 HD23 LEU 23 3HD2 LEU 23 0.796 -2.186 3.146 165 H ARG 24 H ARG 24 -0.932 -3.270 7.591 166 HA ARG 24 HA ARG 24 0.361 -4.039 10.111 167 HB2 ARG 24 1HB ARG 24 -1.649 -2.548 10.504 168 HB3 ARG 24 2HB ARG 24 -2.634 -3.832 9.816 169 HG2 ARG 24 1HG ARG 24 -2.010 -5.335 11.577 170 HG3 ARG 24 2HG ARG 24 -0.849 -4.169 12.215 171 HD2 ARG 24 1HD ARG 24 -2.798 -2.597 12.542 172 HD3 ARG 24 2HD ARG 24 -3.851 -3.962 12.175 173 HE ARG 24 HE ARG 24 -2.105 -4.760 14.193 174 HH11 ARG 24 2HH1 ARG 24 -4.681 -2.469 13.712 175 HH12 ARG 24 1HH1 ARG 24 -5.182 -2.486 15.371 176 HH21 ARG 24 2HH2 ARG 24 -2.754 -4.791 16.380 177 HH22 ARG 24 1HH2 ARG 24 -4.084 -3.806 16.887 178 H ALA 25 H ALA 25 0.350 -6.206 10.557 179 HA ALA 25 HA ALA 25 0.129 -8.026 8.459 180 HB1 ALA 25 1HB ALA 25 0.106 -8.503 11.435 181 HB2 ALA 25 2HB ALA 25 0.272 -9.773 10.222 182 HB3 ALA 25 3HB ALA 25 1.504 -8.519 10.360 183 H GLY 26 H GLY 26 -1.774 -8.187 7.385 184 HA2 GLY 26 1HA GLY 26 -4.329 -8.097 8.588 185 HA3 GLY 26 2HA GLY 26 -3.977 -8.683 6.969 186 HA PRO 27 HA PRO 27 -5.357 -12.197 9.767 187 HB2 PRO 27 1HB PRO 27 -7.538 -12.896 8.309 188 HB3 PRO 27 2HB PRO 27 -7.594 -11.695 9.605 189 HG2 PRO 27 1HG PRO 27 -7.421 -11.281 6.645 190 HG3 PRO 27 2HG PRO 27 -8.413 -10.423 7.839 191 HD2 PRO 27 1HD PRO 27 -6.103 -9.403 6.862 192 HD3 PRO 27 2HD PRO 27 -6.664 -9.083 8.516 193 H GLU 28 H GLU 28 -6.388 -14.392 8.524 194 HA GLU 28 HA GLU 28 -4.240 -15.692 7.443 195 HB2 GLU 28 1HB GLU 28 -5.832 -17.335 6.532 196 HB3 GLU 28 2HB GLU 28 -6.238 -16.867 8.177 197 HG2 GLU 28 1HG GLU 28 -7.934 -15.314 7.280 198 HG3 GLU 28 2HG GLU 28 -7.567 -15.899 5.658 199 H GLN 29 H GLN 29 -6.240 -13.362 5.919 200 HA GLN 29 HA GLN 29 -5.986 -14.073 3.228 201 HB2 GLN 29 1HB GLN 29 -6.516 -11.542 4.702 202 HB3 GLN 29 2HB GLN 29 -6.076 -11.419 3.003 203 HG2 GLN 29 1HG GLN 29 -7.930 -12.894 2.414 204 HG3 GLN 29 2HG GLN 29 -8.372 -13.016 4.116 205 HE21 GLN 29 1HE2 GLN 29 -8.871 -10.946 5.207 206 HE22 GLN 29 2HE2 GLN 29 -9.715 -9.739 4.304 207 H LYS 30 H LYS 30 -4.584 -13.291 1.586 208 HA LYS 30 HA LYS 30 -1.843 -12.967 2.517 209 HB2 LYS 30 1HB LYS 30 -3.143 -13.801 -0.026 210 HB3 LYS 30 2HB LYS 30 -1.555 -13.054 -0.138 211 HG2 LYS 30 1HG LYS 30 -0.934 -15.229 0.042 212 HG3 LYS 30 2HG LYS 30 -0.990 -14.808 1.755 213 HD2 LYS 30 1HD LYS 30 -3.462 -15.834 0.441 214 HD3 LYS 30 2HD LYS 30 -2.179 -16.975 0.850 215 HE2 LYS 30 1HE LYS 30 -3.043 -15.027 2.924 216 HE3 LYS 30 2HE LYS 30 -4.118 -16.374 2.553 217 HZ1 LYS 30 1HZ LYS 30 -1.697 -17.562 2.781 218 HZ2 LYS 30 2HZ LYS 30 -2.873 -17.502 3.995 219 HZ3 LYS 30 3HZ LYS 30 -1.621 -16.364 3.974 220 H GLY 31 H GLY 31 -1.008 -11.008 2.771 221 HA2 GLY 31 1HA GLY 31 -0.373 -9.019 1.313 222 HA3 GLY 31 2HA GLY 31 -2.109 -8.798 1.154 223 H GLN 32 H GLN 32 -0.776 -6.690 2.055 224 HA GLN 32 HA GLN 32 -1.039 -6.731 4.983 225 HB2 GLN 32 1HB GLN 32 0.437 -4.816 3.171 226 HB3 GLN 32 2HB GLN 32 0.294 -4.624 4.913 227 HG2 GLN 32 1HG GLN 32 1.705 -6.821 3.424 228 HG3 GLN 32 2HG GLN 32 2.424 -5.571 4.439 229 HE21 GLN 32 1HE2 GLN 32 1.304 -8.713 4.323 230 HE22 GLN 32 2HE2 GLN 32 1.239 -9.034 6.019 231 H ILE 33 H ILE 33 -2.341 -5.277 6.042 232 HA ILE 33 HA ILE 33 -4.361 -3.971 4.380 233 HB ILE 33 HB ILE 33 -4.417 -4.204 7.381 234 HG12 ILE 33 1HG1 ILE 33 -5.300 -6.205 5.298 235 HG13 ILE 33 2HG1 ILE 33 -4.161 -6.458 6.616 236 HG21 ILE 33 1HG2 ILE 33 -6.555 -3.833 5.289 237 HG22 ILE 33 2HG2 ILE 33 -6.861 -4.069 7.009 238 HG23 ILE 33 3HG2 ILE 33 -5.994 -2.636 6.456 239 HD11 ILE 33 1HD1 ILE 33 -6.232 -5.860 8.100 240 HD12 ILE 33 2HD1 ILE 33 -7.128 -6.356 6.664 241 HD13 ILE 33 3HD1 ILE 33 -6.020 -7.484 7.445 242 H ILE 34 H ILE 34 -4.830 -1.800 4.478 243 HA ILE 34 HA ILE 34 -2.732 -0.123 5.648 244 HB ILE 34 HB ILE 34 -4.828 0.489 3.566 245 HG12 ILE 34 1HG1 ILE 34 -1.812 0.285 3.428 246 HG13 ILE 34 2HG1 ILE 34 -2.962 -0.867 2.756 247 HG21 ILE 34 1HG2 ILE 34 -2.674 2.325 4.600 248 HG22 ILE 34 2HG2 ILE 34 -3.898 2.695 3.386 249 HG23 ILE 34 3HG2 ILE 34 -4.373 2.419 5.062 250 HD11 ILE 34 1HD1 ILE 34 -2.739 2.006 1.897 251 HD12 ILE 34 2HD1 ILE 34 -1.963 0.648 1.081 252 HD13 ILE 34 3HD1 ILE 34 -3.722 0.744 1.157 253 H LYS 35 H LYS 35 -3.189 1.633 6.975 254 HA LYS 35 HA LYS 35 -5.814 2.425 7.697 255 HB2 LYS 35 1HB LYS 35 -5.641 1.647 10.107 256 HB3 LYS 35 2HB LYS 35 -6.005 0.404 8.916 257 HG2 LYS 35 1HG LYS 35 -3.371 0.135 8.937 258 HG3 LYS 35 2HG LYS 35 -3.570 0.812 10.555 259 HD2 LYS 35 1HD LYS 35 -3.725 -1.477 10.925 260 HD3 LYS 35 2HD LYS 35 -5.416 -0.979 10.822 261 HE2 LYS 35 1HE LYS 35 -5.204 -1.559 8.320 262 HE3 LYS 35 2HE LYS 35 -3.749 -2.433 8.797 263 HZ1 LYS 35 1HZ LYS 35 -6.249 -2.929 10.253 264 HZ2 LYS 35 2HZ LYS 35 -4.945 -3.969 9.974 265 HZ3 LYS 35 3HZ LYS 35 -6.039 -3.632 8.729 266 H ASP 36 H ASP 36 -5.740 3.859 9.723 267 HA ASP 36 HA ASP 36 -4.910 5.701 10.767 268 HB2 ASP 36 1HB ASP 36 -2.307 4.212 10.381 269 HB3 ASP 36 2HB ASP 36 -2.460 5.691 11.325 270 H ILE 37 H ILE 37 -5.391 5.868 8.003 271 HA ILE 37 HA ILE 37 -3.272 7.054 6.565 272 HB ILE 37 HB ILE 37 -6.257 7.313 6.205 273 HG12 ILE 37 1HG1 ILE 37 -4.174 5.636 4.789 274 HG13 ILE 37 2HG1 ILE 37 -5.400 5.042 5.904 275 HG21 ILE 37 1HG2 ILE 37 -5.806 8.220 4.009 276 HG22 ILE 37 2HG2 ILE 37 -5.047 9.230 5.238 277 HG23 ILE 37 3HG2 ILE 37 -4.069 8.110 4.290 278 HD11 ILE 37 1HD1 ILE 37 -7.129 5.872 4.306 279 HD12 ILE 37 2HD1 ILE 37 -5.823 6.212 3.170 280 HD13 ILE 37 3HD1 ILE 37 -6.123 4.557 3.700 281 H GLU 38 H GLU 38 -2.547 9.105 6.427 282 HA GLU 38 HA GLU 38 -3.601 11.022 8.358 283 HB2 GLU 38 1HB GLU 38 -1.111 11.149 6.648 284 HB3 GLU 38 2HB GLU 38 -1.550 12.294 7.908 285 HG2 GLU 38 1HG GLU 38 -0.997 9.368 8.344 286 HG3 GLU 38 2HG GLU 38 0.147 10.677 8.634 287 HA PRO 39 HA PRO 39 -5.741 13.393 5.328 288 HB2 PRO 39 1HB PRO 39 -5.820 15.772 6.634 289 HB3 PRO 39 2HB PRO 39 -6.822 14.390 7.094 290 HG2 PRO 39 1HG PRO 39 -4.253 15.349 8.294 291 HG3 PRO 39 2HG PRO 39 -5.723 14.781 9.106 292 HD2 PRO 39 1HD PRO 39 -3.540 13.212 8.781 293 HD3 PRO 39 2HD PRO 39 -5.191 12.561 8.788 294 H GLY 40 H GLY 40 -5.330 14.803 3.661 295 HA2 GLY 40 1HA GLY 40 -4.046 15.986 2.169 296 HA3 GLY 40 2HA GLY 40 -3.457 16.848 3.582 297 H SER 41 H SER 41 -2.869 13.508 3.690 298 HA SER 41 HA SER 41 -0.026 13.985 3.275 299 HB2 SER 41 1HB SER 41 0.355 11.939 4.409 300 HB3 SER 41 2HB SER 41 -0.994 12.690 5.260 301 HG SER 41 HG SER 41 -2.356 11.362 3.828 302 HA PRO 42 HA PRO 42 0.574 12.339 -0.732 303 HB2 PRO 42 1HB PRO 42 2.423 10.373 0.539 304 HB3 PRO 42 2HB PRO 42 2.702 11.460 -0.827 305 HG2 PRO 42 1HG PRO 42 3.690 11.992 1.607 306 HG3 PRO 42 2HG PRO 42 3.114 13.281 0.533 307 HD2 PRO 42 1HD PRO 42 1.889 12.166 2.980 308 HD3 PRO 42 2HD PRO 42 1.764 13.794 2.283 309 H ALA 43 H ALA 43 -0.163 10.196 1.925 310 HA ALA 43 HA ALA 43 -0.768 7.919 0.283 311 HB1 ALA 43 1HB ALA 43 -1.912 7.192 2.518 312 HB2 ALA 43 2HB ALA 43 -0.154 7.262 2.399 313 HB3 ALA 43 3HB ALA 43 -1.037 8.573 3.181 314 H GLU 44 H GLU 44 -2.684 10.353 2.024 315 HA GLU 44 HA GLU 44 -5.193 9.298 1.158 316 HB2 GLU 44 1HB GLU 44 -4.824 10.685 3.230 317 HB3 GLU 44 2HB GLU 44 -4.633 12.083 2.181 318 HG2 GLU 44 1HG GLU 44 -6.852 12.145 2.936 319 HG3 GLU 44 2HG GLU 44 -6.928 11.563 1.274 320 H ALA 45 H ALA 45 -3.073 11.901 0.069 321 HA ALA 45 HA ALA 45 -4.841 12.967 -1.871 322 HB1 ALA 45 1HB ALA 45 -1.833 13.109 -1.713 323 HB2 ALA 45 2HB ALA 45 -2.849 14.092 -2.767 324 HB3 ALA 45 3HB ALA 45 -2.974 14.259 -1.016 325 H ALA 46 H ALA 46 -2.738 10.222 -1.836 326 HA ALA 46 HA ALA 46 -2.454 9.929 -4.656 327 HB1 ALA 46 1HB ALA 46 -2.184 7.835 -2.503 328 HB2 ALA 46 2HB ALA 46 -1.578 7.726 -4.156 329 HB3 ALA 46 3HB ALA 46 -0.898 8.914 -3.044 330 H GLY 47 H GLY 47 -4.872 8.996 -2.328 331 HA2 GLY 47 1HA GLY 47 -7.128 8.642 -3.197 332 HA3 GLY 47 2HA GLY 47 -6.403 7.746 -4.523 333 H LEU 48 H LEU 48 -4.842 7.077 -1.625 334 HA LEU 48 HA LEU 48 -5.434 4.380 -1.591 335 HB2 LEU 48 1HB LEU 48 -4.354 6.304 0.391 336 HB3 LEU 48 2HB LEU 48 -4.866 4.726 0.985 337 HG LEU 48 HG LEU 48 -2.693 5.331 -1.011 338 HD11 LEU 48 1HD1 LEU 48 -2.727 4.052 1.716 339 HD12 LEU 48 2HD1 LEU 48 -1.990 5.588 1.263 340 HD13 LEU 48 3HD1 LEU 48 -1.327 4.076 0.643 341 HD21 LEU 48 1HD2 LEU 48 -3.624 3.432 -1.954 342 HD22 LEU 48 2HD2 LEU 48 -4.118 2.773 -0.394 343 HD23 LEU 48 3HD2 LEU 48 -2.416 2.760 -0.858 344 H LYS 49 H LYS 49 -6.343 3.425 0.678 345 HA LYS 49 HA LYS 49 -8.740 4.702 1.602 346 HB2 LYS 49 1HB LYS 49 -8.875 2.408 -0.332 347 HB3 LYS 49 2HB LYS 49 -10.138 2.640 0.869 348 HG2 LYS 49 1HG LYS 49 -10.111 5.098 -0.111 349 HG3 LYS 49 2HG LYS 49 -9.471 4.256 -1.524 350 HD2 LYS 49 1HD LYS 49 -11.439 2.666 -1.277 351 HD3 LYS 49 2HD LYS 49 -12.108 3.837 -0.137 352 HE2 LYS 49 1HE LYS 49 -13.089 4.478 -2.129 353 HE3 LYS 49 2HE LYS 49 -11.688 5.546 -2.044 354 HZ1 LYS 49 1HZ LYS 49 -12.337 3.914 -4.127 355 HZ2 LYS 49 2HZ LYS 49 -11.097 3.069 -3.346 356 HZ3 LYS 49 3HZ LYS 49 -10.836 4.654 -3.878 357 H ASN 50 H ASN 50 -9.269 3.993 3.594 358 HA ASN 50 HA ASN 50 -7.547 2.410 5.079 359 HB2 ASN 50 1HB ASN 50 -10.474 2.994 5.577 360 HB3 ASN 50 2HB ASN 50 -9.366 2.327 6.772 361 HD21 ASN 50 1HD2 ASN 50 -7.592 3.633 7.466 362 HD22 ASN 50 2HD2 ASN 50 -7.710 5.356 7.408 363 H ASN 51 H ASN 51 -7.719 0.301 5.941 364 HA ASN 51 HA ASN 51 -8.054 -1.946 5.835 365 HB2 ASN 51 1HB ASN 51 -10.741 -0.927 4.943 366 HB3 ASN 51 2HB ASN 51 -10.403 -2.653 5.020 367 HD21 ASN 51 1HD2 ASN 51 -11.511 -0.014 6.701 368 HD22 ASN 51 2HD2 ASN 51 -11.407 -0.649 8.304 369 H ASP 52 H ASP 52 -6.738 -0.663 3.655 370 HA ASP 52 HA ASP 52 -7.665 -2.066 1.271 371 HB2 ASP 52 1HB ASP 52 -5.779 0.169 1.817 372 HB3 ASP 52 2HB ASP 52 -5.458 -0.831 0.403 373 H LEU 53 H LEU 53 -6.932 -4.011 0.762 374 HA LEU 53 HA LEU 53 -4.576 -5.061 2.116 375 HB2 LEU 53 1HB LEU 53 -6.610 -6.409 2.069 376 HB3 LEU 53 2HB LEU 53 -6.582 -6.402 0.307 377 HG LEU 53 HG LEU 53 -5.755 -8.492 1.608 378 HD11 LEU 53 1HD1 LEU 53 -3.667 -8.159 -0.260 379 HD12 LEU 53 2HD1 LEU 53 -5.077 -7.312 -0.896 380 HD13 LEU 53 3HD1 LEU 53 -5.193 -9.019 -0.467 381 HD21 LEU 53 1HD2 LEU 53 -3.116 -7.107 1.521 382 HD22 LEU 53 2HD2 LEU 53 -3.625 -8.505 2.469 383 HD23 LEU 53 3HD2 LEU 53 -4.160 -6.887 2.926 384 H VAL 54 H VAL 54 -2.645 -4.942 1.203 385 HA VAL 54 HA VAL 54 -2.426 -4.481 -1.671 386 HB VAL 54 HB VAL 54 -0.233 -4.468 0.406 387 HG11 VAL 54 1HG1 VAL 54 0.476 -2.811 -1.684 388 HG12 VAL 54 2HG1 VAL 54 1.078 -4.445 -1.400 389 HG13 VAL 54 3HG1 VAL 54 -0.287 -4.183 -2.486 390 HG21 VAL 54 1HG2 VAL 54 -2.218 -2.756 0.548 391 HG22 VAL 54 2HG2 VAL 54 -0.551 -2.220 0.760 392 HG23 VAL 54 3HG2 VAL 54 -1.364 -1.980 -0.786 393 H VAL 55 H VAL 55 -1.814 -5.995 -3.076 394 HA VAL 55 HA VAL 55 -0.906 -8.581 -2.018 395 HB VAL 55 HB VAL 55 -1.458 -9.332 -4.433 396 HG11 VAL 55 1HG1 VAL 55 -3.700 -8.493 -2.598 397 HG12 VAL 55 2HG1 VAL 55 -3.763 -9.759 -3.826 398 HG13 VAL 55 3HG1 VAL 55 -2.726 -9.951 -2.412 399 HG21 VAL 55 1HG2 VAL 55 -3.197 -6.877 -4.333 400 HG22 VAL 55 2HG2 VAL 55 -1.682 -6.953 -5.234 401 HG23 VAL 55 3HG2 VAL 55 -3.016 -8.025 -5.660 402 H ALA 56 H ALA 56 -0.012 -5.932 -4.080 403 HA ALA 56 HA ALA 56 2.665 -7.062 -4.340 404 HB1 ALA 56 1HB ALA 56 2.581 -7.474 -6.519 405 HB2 ALA 56 2HB ALA 56 0.844 -7.174 -6.463 406 HB3 ALA 56 3HB ALA 56 1.954 -5.859 -6.850 407 H VAL 57 H VAL 57 4.289 -5.498 -4.818 408 HA VAL 57 HA VAL 57 3.453 -2.690 -4.702 409 HB VAL 57 HB VAL 57 5.535 -3.911 -2.884 410 HG11 VAL 57 1HG1 VAL 57 6.262 -1.848 -2.321 411 HG12 VAL 57 2HG1 VAL 57 5.685 -1.441 -3.939 412 HG13 VAL 57 3HG1 VAL 57 4.674 -1.112 -2.531 413 HG21 VAL 57 1HG2 VAL 57 4.075 -3.421 -1.078 414 HG22 VAL 57 2HG2 VAL 57 2.977 -2.518 -2.120 415 HG23 VAL 57 3HG2 VAL 57 3.112 -4.268 -2.288 416 H ASN 58 H ASN 58 4.410 -1.584 -6.267 417 HA ASN 58 HA ASN 58 5.897 -0.910 -7.850 418 HB2 ASN 58 1HB ASN 58 7.641 -2.076 -5.739 419 HB3 ASN 58 2HB ASN 58 8.373 -1.771 -7.312 420 HD21 ASN 58 1HD2 ASN 58 9.212 -0.462 -5.047 421 HD22 ASN 58 2HD2 ASN 58 8.791 1.210 -5.162 422 H GLY 59 H GLY 59 4.513 -3.522 -8.033 423 HA2 GLY 59 1HA GLY 59 4.384 -5.067 -9.760 424 HA3 GLY 59 2HA GLY 59 5.942 -4.499 -10.342 425 H LYS 60 H LYS 60 5.730 -5.369 -7.023 426 HA LYS 60 HA LYS 60 6.939 -7.991 -7.599 427 HB2 LYS 60 1HB LYS 60 7.841 -6.011 -5.498 428 HB3 LYS 60 2HB LYS 60 8.473 -7.641 -5.692 429 HG2 LYS 60 1HG LYS 60 8.564 -5.839 -8.045 430 HG3 LYS 60 2HG LYS 60 9.685 -5.527 -6.717 431 HD2 LYS 60 1HD LYS 60 10.962 -6.993 -7.895 432 HD3 LYS 60 2HD LYS 60 10.043 -8.161 -6.943 433 HE2 LYS 60 1HE LYS 60 9.724 -9.054 -9.013 434 HE3 LYS 60 2HE LYS 60 8.364 -7.932 -8.983 435 HZ1 LYS 60 1HZ LYS 60 9.200 -6.892 -10.730 436 HZ2 LYS 60 2HZ LYS 60 10.458 -8.019 -10.809 437 HZ3 LYS 60 3HZ LYS 60 10.655 -6.593 -9.920 438 H SER 61 H SER 61 6.104 -9.652 -6.494 439 HA SER 61 HA SER 61 3.756 -9.405 -5.004 440 HB2 SER 61 1HB SER 61 4.033 -11.525 -5.901 441 HB3 SER 61 2HB SER 61 5.732 -11.613 -5.439 442 HG SER 61 HG SER 61 4.721 -12.913 -4.015 443 H VAL 62 H VAL 62 3.370 -8.853 -2.967 444 HA VAL 62 HA VAL 62 5.599 -8.960 -1.038 445 HB VAL 62 HB VAL 62 4.918 -6.962 -0.029 446 HG11 VAL 62 1HG1 VAL 62 5.581 -6.987 -2.697 447 HG12 VAL 62 2HG1 VAL 62 4.162 -5.938 -2.650 448 HG13 VAL 62 3HG1 VAL 62 5.567 -5.568 -1.650 449 HG21 VAL 62 1HG2 VAL 62 2.804 -5.822 -0.516 450 HG22 VAL 62 2HG2 VAL 62 2.356 -7.125 -1.617 451 HG23 VAL 62 3HG2 VAL 62 2.533 -7.449 0.108 452 H GLU 63 H GLU 63 2.313 -9.742 -1.729 453 HA GLU 63 HA GLU 63 1.261 -10.105 0.823 454 HB2 GLU 63 1HB GLU 63 -0.430 -11.400 -0.182 455 HB3 GLU 63 2HB GLU 63 0.066 -10.261 -1.425 456 HG2 GLU 63 1HG GLU 63 1.265 -12.997 -1.293 457 HG3 GLU 63 2HG GLU 63 -0.299 -12.727 -2.060 458 H ALA 64 H ALA 64 3.808 -11.739 -0.677 459 HA ALA 64 HA ALA 64 3.465 -14.190 0.866 460 HB1 ALA 64 1HB ALA 64 5.284 -15.079 -0.389 461 HB2 ALA 64 2HB ALA 64 4.230 -14.227 -1.518 462 HB3 ALA 64 3HB ALA 64 5.735 -13.480 -0.982 463 H LEU 65 H LEU 65 5.165 -11.197 0.999 464 HA LEU 65 HA LEU 65 7.217 -12.114 2.803 465 HB2 LEU 65 1HB LEU 65 6.392 -9.465 1.690 466 HB3 LEU 65 2HB LEU 65 7.486 -9.536 3.070 467 HG LEU 65 HG LEU 65 8.150 -11.093 0.612 468 HD11 LEU 65 1HD1 LEU 65 9.107 -8.288 0.819 469 HD12 LEU 65 2HD1 LEU 65 7.491 -8.576 0.175 470 HD13 LEU 65 3HD1 LEU 65 8.893 -9.312 -0.601 471 HD21 LEU 65 1HD2 LEU 65 9.372 -10.980 2.950 472 HD22 LEU 65 2HD2 LEU 65 10.073 -9.522 2.247 473 HD23 LEU 65 3HD2 LEU 65 10.278 -11.077 1.440 474 H ASP 66 H ASP 66 7.462 -10.514 4.832 475 HA ASP 66 HA ASP 66 4.952 -10.810 6.337 476 HB2 ASP 66 1HB ASP 66 6.211 -11.154 8.294 477 HB3 ASP 66 2HB ASP 66 7.084 -12.052 7.055 478 H HIS 67 H HIS 67 4.776 -9.207 8.212 479 HA HIS 67 HA HIS 67 4.194 -6.722 7.443 480 HB2 HIS 67 1HB HIS 67 3.750 -7.356 9.701 481 HB3 HIS 67 2HB HIS 67 5.464 -7.555 10.052 482 HD1 HIS 67 1HD HIS 67 2.932 -5.394 10.945 483 HD2 HIS 67 2HD HIS 67 6.724 -4.747 9.374 484 HE1 HIS 67 1HE HIS 67 3.513 -3.022 11.546 485 HE2 HIS 67 2HE HIS 67 5.775 -2.626 10.512 486 H ASP 68 H ASP 68 7.437 -7.657 8.573 487 HA ASP 68 HA ASP 68 8.597 -5.116 8.032 488 HB2 ASP 68 1HB ASP 68 9.788 -7.842 8.545 489 HB3 ASP 68 2HB ASP 68 10.775 -6.408 8.271 490 H GLY 69 H GLY 69 8.706 -8.242 6.330 491 HA2 GLY 69 1HA GLY 69 10.366 -7.616 4.234 492 HA3 GLY 69 2HA GLY 69 8.997 -8.709 4.096 493 H VAL 70 H VAL 70 6.814 -7.278 4.156 494 HA VAL 70 HA VAL 70 6.708 -5.995 1.665 495 HB VAL 70 HB VAL 70 4.740 -5.665 3.933 496 HG11 VAL 70 1HG1 VAL 70 3.335 -5.690 1.587 497 HG12 VAL 70 2HG1 VAL 70 3.815 -4.241 2.472 498 HG13 VAL 70 3HG1 VAL 70 4.803 -4.826 1.133 499 HG21 VAL 70 1HG2 VAL 70 5.021 -7.832 1.863 500 HG22 VAL 70 2HG2 VAL 70 5.011 -8.002 3.619 501 HG23 VAL 70 3HG2 VAL 70 3.534 -7.548 2.769 502 H VAL 71 H VAL 71 6.264 -4.523 4.889 503 HA VAL 71 HA VAL 71 6.185 -1.883 4.196 504 HB VAL 71 HB VAL 71 7.606 -3.037 6.600 505 HG11 VAL 71 1HG1 VAL 71 6.930 -0.268 5.780 506 HG12 VAL 71 2HG1 VAL 71 6.710 -0.693 7.479 507 HG13 VAL 71 3HG1 VAL 71 8.294 -0.871 6.722 508 HG21 VAL 71 1HG2 VAL 71 4.860 -1.892 6.690 509 HG22 VAL 71 2HG2 VAL 71 5.075 -3.522 6.053 510 HG23 VAL 71 3HG2 VAL 71 5.595 -3.141 7.694 511 H GLU 72 H GLU 72 8.916 -4.006 4.083 512 HA GLU 72 HA GLU 72 10.938 -1.996 4.045 513 HB2 GLU 72 1HB GLU 72 11.137 -4.550 4.519 514 HB3 GLU 72 2HB GLU 72 11.263 -4.693 2.771 515 HG2 GLU 72 1HG GLU 72 13.465 -4.633 3.604 516 HG3 GLU 72 2HG GLU 72 13.163 -3.057 2.875 517 H MET 73 H MET 73 9.390 -3.940 1.496 518 HA MET 73 HA MET 73 10.704 -3.058 -0.724 519 HB2 MET 73 1HB MET 73 7.716 -3.465 -0.499 520 HB3 MET 73 2HB MET 73 8.647 -3.480 -1.992 521 HG2 MET 73 1HG MET 73 9.187 -5.393 0.254 522 HG3 MET 73 2HG MET 73 7.999 -5.721 -1.005 523 HE1 MET 73 1HE MET 73 8.299 -6.883 -2.745 524 HE2 MET 73 2HE MET 73 9.127 -5.905 -3.956 525 HE3 MET 73 3HE MET 73 9.784 -7.475 -3.490 526 H ILE 74 H ILE 74 8.137 -1.379 1.030 527 HA ILE 74 HA ILE 74 7.810 0.756 -0.781 528 HB ILE 74 HB ILE 74 7.286 0.585 2.184 529 HG12 ILE 74 1HG1 ILE 74 5.203 0.807 0.045 530 HG13 ILE 74 2HG1 ILE 74 5.979 -0.748 0.329 531 HG21 ILE 74 1HG2 ILE 74 5.784 2.629 1.601 532 HG22 ILE 74 2HG2 ILE 74 7.500 2.867 1.929 533 HG23 ILE 74 3HG2 ILE 74 6.915 2.843 0.265 534 HD11 ILE 74 1HD1 ILE 74 5.197 -0.802 2.578 535 HD12 ILE 74 2HD1 ILE 74 4.601 0.854 2.465 536 HD13 ILE 74 3HD1 ILE 74 3.830 -0.426 1.529 537 H ARG 75 H ARG 75 9.908 0.339 2.038 538 HA ARG 75 HA ARG 75 10.962 2.972 2.008 539 HB2 ARG 75 1HB ARG 75 11.825 0.384 3.263 540 HB3 ARG 75 2HB ARG 75 12.862 1.802 3.338 541 HG2 ARG 75 1HG ARG 75 11.098 3.049 4.462 542 HG3 ARG 75 2HG ARG 75 10.037 1.641 4.367 543 HD2 ARG 75 1HD ARG 75 10.921 1.584 6.539 544 HD3 ARG 75 2HD ARG 75 11.855 0.391 5.638 545 HE ARG 75 HE ARG 75 13.135 2.919 5.588 546 HH11 ARG 75 2HH1 ARG 75 12.515 0.185 7.651 547 HH12 ARG 75 1HH1 ARG 75 13.941 0.416 8.606 548 HH21 ARG 75 2HH2 ARG 75 15.016 3.235 6.838 549 HH22 ARG 75 1HH2 ARG 75 15.363 2.153 8.144 550 H LYS 76 H LYS 76 12.210 -0.124 0.781 551 HA LYS 76 HA LYS 76 14.641 0.759 -0.218 552 HB2 LYS 76 1HB LYS 76 12.811 -1.373 -1.335 553 HB3 LYS 76 2HB LYS 76 14.499 -1.165 -1.781 554 HG2 LYS 76 1HG LYS 76 15.272 -1.942 0.239 555 HG3 LYS 76 2HG LYS 76 13.781 -1.529 1.089 556 HD2 LYS 76 1HD LYS 76 13.588 -3.816 0.964 557 HD3 LYS 76 2HD LYS 76 12.740 -3.333 -0.506 558 HE2 LYS 76 1HE LYS 76 14.646 -3.826 -1.854 559 HE3 LYS 76 2HE LYS 76 15.663 -4.058 -0.433 560 HZ1 LYS 76 1HZ LYS 76 14.877 -6.125 -0.098 561 HZ2 LYS 76 2HZ LYS 76 14.516 -6.055 -1.749 562 HZ3 LYS 76 3HZ LYS 76 13.307 -5.750 -0.606 563 H GLY 77 H GLY 77 11.420 0.992 -1.610 564 HA2 GLY 77 1HA GLY 77 11.864 1.575 -4.228 565 HA3 GLY 77 2HA GLY 77 10.647 2.401 -3.266 566 H GLY 78 H GLY 78 12.507 3.703 -1.491 567 HA2 GLY 78 1HA GLY 78 14.381 5.252 -1.726 568 HA3 GLY 78 2HA GLY 78 13.848 5.540 -3.376 569 H ASP 79 H ASP 79 11.833 6.688 -3.695 570 HA ASP 79 HA ASP 79 11.101 8.380 -1.397 571 HB2 ASP 79 1HB ASP 79 10.615 10.117 -3.310 572 HB3 ASP 79 2HB ASP 79 12.249 9.921 -2.681 573 H GLN 80 H GLN 80 10.052 7.172 -4.569 574 HA GLN 80 HA GLN 80 7.282 7.224 -3.566 575 HB2 GLN 80 1HB GLN 80 6.470 7.875 -5.651 576 HB3 GLN 80 2HB GLN 80 7.935 8.833 -5.481 577 HG2 GLN 80 1HG GLN 80 9.132 7.432 -6.966 578 HG3 GLN 80 2HG GLN 80 7.856 6.216 -6.952 579 HE21 GLN 80 1HE2 GLN 80 7.870 9.735 -7.404 580 HE22 GLN 80 2HE2 GLN 80 7.039 9.715 -8.919 581 H THR 81 H THR 81 5.939 5.487 -4.105 582 HA THR 81 HA THR 81 7.098 3.227 -5.535 583 HB THR 81 HB THR 81 7.803 2.676 -3.325 584 HG1 THR 81 1HG THR 81 5.355 1.282 -3.759 585 HG21 THR 81 1HG2 THR 81 5.308 3.958 -2.570 586 HG22 THR 81 2HG2 THR 81 6.764 3.679 -1.616 587 HG23 THR 81 3HG2 THR 81 5.539 2.417 -1.746 588 H THR 82 H THR 82 5.529 1.586 -6.086 589 HA THR 82 HA THR 82 2.817 2.702 -6.273 590 HB THR 82 HB THR 82 3.963 0.439 -7.912 591 HG1 THR 82 1HG THR 82 4.249 2.066 -9.526 592 HG21 THR 82 1HG2 THR 82 2.042 0.497 -9.148 593 HG22 THR 82 2HG2 THR 82 1.760 2.209 -8.832 594 HG23 THR 82 3HG2 THR 82 1.385 1.010 -7.594 595 H LEU 83 H LEU 83 1.159 1.749 -5.271 596 HA LEU 83 HA LEU 83 1.616 -0.898 -4.063 597 HB2 LEU 83 1HB LEU 83 -0.510 0.931 -3.070 598 HB3 LEU 83 2HB LEU 83 0.428 -0.282 -2.201 599 HG LEU 83 HG LEU 83 1.340 2.474 -3.021 600 HD11 LEU 83 1HD1 LEU 83 0.629 1.192 -0.401 601 HD12 LEU 83 2HD1 LEU 83 -0.011 2.671 -1.116 602 HD13 LEU 83 3HD1 LEU 83 1.640 2.634 -0.499 603 HD21 LEU 83 1HD2 LEU 83 2.922 0.474 -1.432 604 HD22 LEU 83 2HD2 LEU 83 3.467 1.992 -2.146 605 HD23 LEU 83 3HD2 LEU 83 3.076 0.619 -3.183 606 H LEU 84 H LEU 84 0.226 -2.519 -4.485 607 HA LEU 84 HA LEU 84 -2.063 -1.901 -6.229 608 HB2 LEU 84 1HB LEU 84 -0.427 -3.269 -7.338 609 HB3 LEU 84 2HB LEU 84 -0.395 -4.397 -5.984 610 HG LEU 84 HG LEU 84 -2.764 -4.984 -6.513 611 HD11 LEU 84 1HD1 LEU 84 -3.604 -3.155 -7.693 612 HD12 LEU 84 2HD1 LEU 84 -3.419 -4.408 -8.919 613 HD13 LEU 84 3HD1 LEU 84 -2.228 -3.114 -8.795 614 HD21 LEU 84 1HD2 LEU 84 -0.684 -5.415 -8.652 615 HD22 LEU 84 2HD2 LEU 84 -2.194 -6.318 -8.524 616 HD23 LEU 84 3HD2 LEU 84 -0.986 -6.431 -7.243 617 H VAL 85 H VAL 85 -3.777 -1.710 -4.897 618 HA VAL 85 HA VAL 85 -4.186 -3.750 -2.825 619 HB VAL 85 HB VAL 85 -5.634 -2.279 -1.715 620 HG11 VAL 85 1HG1 VAL 85 -3.768 -0.249 -2.863 621 HG12 VAL 85 2HG1 VAL 85 -4.266 -0.497 -1.188 622 HG13 VAL 85 3HG1 VAL 85 -3.126 -1.611 -1.944 623 HG21 VAL 85 1HG2 VAL 85 -6.530 -0.223 -2.702 624 HG22 VAL 85 2HG2 VAL 85 -5.719 -0.601 -4.222 625 HG23 VAL 85 3HG2 VAL 85 -7.009 -1.646 -3.627 626 H LEU 86 H LEU 86 -6.214 -4.799 -2.611 627 HA LEU 86 HA LEU 86 -7.509 -5.279 -5.171 628 HB2 LEU 86 1HB LEU 86 -6.740 -7.013 -3.341 629 HB3 LEU 86 2HB LEU 86 -8.326 -6.657 -2.661 630 HG LEU 86 HG LEU 86 -8.545 -8.625 -3.966 631 HD11 LEU 86 1HD1 LEU 86 -9.567 -6.644 -5.931 632 HD12 LEU 86 2HD1 LEU 86 -10.170 -6.570 -4.276 633 HD13 LEU 86 3HD1 LEU 86 -10.362 -8.048 -5.218 634 HD21 LEU 86 1HD2 LEU 86 -6.466 -7.585 -5.472 635 HD22 LEU 86 2HD2 LEU 86 -7.840 -7.585 -6.578 636 HD23 LEU 86 3HD2 LEU 86 -7.345 -9.082 -5.786 637 H ASP 87 H ASP 87 -9.574 -4.761 -5.670 638 HA ASP 87 HA ASP 87 -11.004 -3.067 -3.748 639 HB2 ASP 87 1HB ASP 87 -10.528 -2.077 -5.949 640 HB3 ASP 87 2HB ASP 87 -11.410 -3.387 -6.729 641 H LYS 88 H LYS 88 -11.475 -5.825 -5.916 642 HA LYS 88 HA LYS 88 -14.195 -6.262 -5.226 643 HB2 LYS 88 1HB LYS 88 -12.212 -8.269 -6.310 644 HB3 LYS 88 2HB LYS 88 -13.966 -8.378 -6.386 645 HG2 LYS 88 1HG LYS 88 -12.633 -6.020 -7.615 646 HG3 LYS 88 2HG LYS 88 -12.555 -7.575 -8.448 647 HD2 LYS 88 1HD LYS 88 -15.082 -7.679 -8.153 648 HD3 LYS 88 2HD LYS 88 -14.991 -5.976 -7.700 649 HE2 LYS 88 1HE LYS 88 -15.491 -6.035 -10.015 650 HE3 LYS 88 2HE LYS 88 -13.795 -5.576 -9.879 651 HZ1 LYS 88 1HZ LYS 88 -13.090 -7.588 -10.682 652 HZ2 LYS 88 2HZ LYS 88 -14.519 -7.390 -11.564 653 HZ3 LYS 88 3HZ LYS 88 -14.493 -8.410 -10.215 654 H GLU 89 H GLU 89 -15.094 -7.937 -3.942 655 HA GLU 89 HA GLU 89 -15.296 -8.802 -1.809 656 HB2 GLU 89 1HB GLU 89 -13.990 -10.882 -1.580 657 HB3 GLU 89 2HB GLU 89 -14.720 -10.726 -3.172 658 HG2 GLU 89 1HG GLU 89 -12.702 -10.377 -4.217 659 HG3 GLU 89 2HG GLU 89 -11.919 -9.802 -2.746 660 H ALA 90 H ALA 90 -13.568 -6.457 -1.904 661 HA ALA 90 HA ALA 90 -11.363 -7.011 -0.114 662 HB1 ALA 90 1HB ALA 90 -11.024 -5.327 -1.788 663 HB2 ALA 90 2HB ALA 90 -12.438 -4.429 -1.235 664 HB3 ALA 90 3HB ALA 90 -11.013 -4.553 -0.203 665 H GLU 91 H GLU 91 -14.367 -5.095 0.048 666 HA GLU 91 HA GLU 91 -14.287 -4.143 2.585 667 HB2 GLU 91 1HB GLU 91 -16.529 -5.165 0.898 668 HB3 GLU 91 2HB GLU 91 -16.861 -4.755 2.575 669 HG2 GLU 91 1HG GLU 91 -17.334 -2.768 1.575 670 HG3 GLU 91 2HG GLU 91 -15.626 -2.529 1.941 671 H SER 92 H SER 92 -13.550 -5.189 4.322 672 HA SER 92 HA SER 92 -14.390 -7.958 4.792 673 HB2 SER 92 1HB SER 92 -11.917 -7.050 4.902 674 HB3 SER 92 2HB SER 92 -12.395 -6.551 6.524 675 HG SER 92 HG SER 92 -11.647 -8.581 6.780 676 H ILE 93 H ILE 93 -16.455 -7.692 5.596 677 HA ILE 93 HA ILE 93 -17.043 -5.837 7.703 678 HB ILE 93 HB ILE 93 -19.247 -6.923 7.783 679 HG12 ILE 93 1HG1 ILE 93 -19.512 -8.625 5.744 680 HG13 ILE 93 2HG1 ILE 93 -17.821 -8.940 6.117 681 HG21 ILE 93 1HG2 ILE 93 -19.151 -6.742 4.928 682 HG22 ILE 93 2HG2 ILE 93 -19.813 -5.599 6.096 683 HG23 ILE 93 3HG2 ILE 93 -18.113 -5.505 5.637 684 HD11 ILE 93 1HD1 ILE 93 -19.772 -8.954 8.351 685 HD12 ILE 93 2HD1 ILE 93 -19.763 -10.316 7.229 686 HD13 ILE 93 3HD1 ILE 93 -18.301 -9.899 8.122 687 H TYR 94 H TYR 94 -17.789 -6.420 9.830 688 HA TYR 94 HA TYR 94 -17.258 -9.056 10.854 689 HB2 TYR 94 1HB TYR 94 -15.341 -6.819 11.268 690 HB3 TYR 94 2HB TYR 94 -15.689 -7.849 12.652 691 HD1 TYR 94 2HD TYR 94 -15.184 -10.283 12.532 692 HD2 TYR 94 1HD TYR 94 -13.987 -7.587 9.466 693 HE1 TYR 94 2HE TYR 94 -13.579 -11.951 11.701 694 HE2 TYR 94 1HE TYR 94 -12.380 -9.248 8.625 695 HH TYR 94 HH TYR 94 -11.916 -11.559 8.690 696 H SER 95 H SER 95 -18.651 -9.462 12.441 697 HA SER 95 HA SER 95 -20.268 -7.298 13.488 698 HB2 SER 95 1HB SER 95 -21.548 -9.162 14.580 699 HB3 SER 95 2HB SER 95 -21.440 -9.298 12.825 700 HG SER 95 HG SER 95 -20.735 -11.092 14.596 701 H LEU 96 H LEU 96 -19.809 -6.255 15.298 702 HA LEU 96 HA LEU 96 -17.867 -7.379 17.159 703 HB2 LEU 96 1HB LEU 96 -19.113 -4.652 16.903 704 HB3 LEU 96 2HB LEU 96 -18.032 -5.102 18.220 705 HG LEU 96 HG LEU 96 -16.390 -5.700 16.268 706 HD11 LEU 96 1HD1 LEU 96 -17.396 -3.447 14.769 707 HD12 LEU 96 2HD1 LEU 96 -18.554 -4.776 14.791 708 HD13 LEU 96 3HD1 LEU 96 -16.911 -5.048 14.210 709 HD21 LEU 96 1HD2 LEU 96 -17.061 -2.971 17.324 710 HD22 LEU 96 2HD2 LEU 96 -15.685 -3.245 16.255 711 HD23 LEU 96 3HD2 LEU 96 -15.764 -4.060 17.818 712 H SER 97 H SER 97 -18.641 -8.655 18.704 713 HA SER 97 HA SER 97 -21.054 -7.786 20.145 714 HB2 SER 97 1HB SER 97 -20.387 -10.530 19.100 715 HB3 SER 97 2HB SER 97 -21.485 -10.313 20.463 716 HG SER 97 HG SER 97 -21.795 -9.074 17.928 717 H GLY 98 H GLY 98 -21.066 -8.116 22.357 718 HA2 GLY 98 1HA GLY 98 -19.333 -9.717 23.831 719 HA3 GLY 98 2HA GLY 98 -18.541 -8.160 23.641 720 HA PRO 99 HA PRO 99 -22.001 -8.249 27.000 721 HB2 PRO 99 1HB PRO 99 -20.631 -9.137 29.169 722 HB3 PRO 99 2HB PRO 99 -21.536 -10.213 28.097 723 HG2 PRO 99 1HG PRO 99 -18.599 -9.634 28.163 724 HG3 PRO 99 2HG PRO 99 -19.429 -11.189 27.969 725 HD2 PRO 99 1HD PRO 99 -18.387 -9.822 25.876 726 HD3 PRO 99 2HD PRO 99 -19.839 -10.834 25.729 727 H SER 100 H SER 100 -22.257 -6.390 28.099 728 HA SER 100 HA SER 100 -20.122 -4.484 28.157 729 HB2 SER 100 1HB SER 100 -23.011 -4.469 28.948 730 HB3 SER 100 2HB SER 100 -21.957 -3.174 29.516 731 HG SER 100 HG SER 100 -21.909 -3.866 26.802 732 H SER 101 H SER 101 -21.889 -6.349 30.591 733 HA SER 101 HA SER 101 -19.770 -5.674 32.523 734 HB2 SER 101 1HB SER 101 -22.710 -6.056 33.139 735 HB3 SER 101 2HB SER 101 -21.442 -5.725 34.320 736 HG SER 101 HG SER 101 -21.378 -3.689 33.706 737 H GLY 102 H GLY 102 -19.452 -7.294 34.223 738 HA2 GLY 102 1HA GLY 102 -20.231 -10.002 33.334 739 HA3 GLY 102 2HA GLY 102 -18.595 -9.632 33.858 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -8.374 -1.968 -23.520 2 HA2 GLY 1 1HA GLY 1 -6.119 -0.213 -23.177 3 HA3 GLY 1 2HA GLY 1 -7.529 -0.319 -22.134 4 H SER 2 H SER 2 -4.370 -0.496 -21.964 5 HA SER 2 HA SER 2 -4.063 -2.970 -20.491 6 HB2 SER 2 1HB SER 2 -2.094 -0.698 -20.852 7 HB3 SER 2 2HB SER 2 -1.727 -2.317 -20.257 8 HG SER 2 HG SER 2 -2.976 -2.092 -22.743 9 H SER 3 H SER 3 -5.220 -2.899 -18.624 10 HA SER 3 HA SER 3 -4.190 -1.223 -16.512 11 HB2 SER 3 1HB SER 3 -6.120 0.017 -17.791 12 HB3 SER 3 2HB SER 3 -7.161 -1.081 -16.886 13 HG SER 3 HG SER 3 -5.541 1.003 -15.976 14 H GLY 4 H GLY 4 -4.288 -2.236 -14.586 15 HA2 GLY 4 1HA GLY 4 -4.917 -4.942 -14.401 16 HA3 GLY 4 2HA GLY 4 -4.721 -3.864 -13.027 17 H SER 5 H SER 5 -6.875 -5.777 -14.767 18 HA SER 5 HA SER 5 -9.314 -4.443 -14.325 19 HB2 SER 5 1HB SER 5 -8.773 -6.521 -15.805 20 HB3 SER 5 2HB SER 5 -9.113 -7.441 -14.340 21 HG SER 5 HG SER 5 -11.102 -7.269 -15.018 22 H SER 6 H SER 6 -7.514 -6.784 -12.381 23 HA SER 6 HA SER 6 -9.421 -6.342 -10.181 24 HB2 SER 6 1HB SER 6 -8.789 -8.484 -9.294 25 HB3 SER 6 2HB SER 6 -9.130 -8.705 -11.010 26 HG SER 6 HG SER 6 -6.856 -8.583 -11.371 27 H GLY 7 H GLY 7 -8.585 -4.573 -9.167 28 HA2 GLY 7 1HA GLY 7 -7.171 -4.087 -7.229 29 HA3 GLY 7 2HA GLY 7 -5.856 -4.886 -8.079 30 H ARG 8 H ARG 8 -6.901 -1.967 -7.141 31 HA ARG 8 HA ARG 8 -6.329 -0.464 -9.539 32 HB2 ARG 8 1HB ARG 8 -6.664 1.513 -8.099 33 HB3 ARG 8 2HB ARG 8 -8.006 0.382 -8.003 34 HG2 ARG 8 1HG ARG 8 -7.023 -0.510 -5.899 35 HG3 ARG 8 2HG ARG 8 -5.814 0.773 -5.980 36 HD2 ARG 8 1HD ARG 8 -8.756 1.365 -6.050 37 HD3 ARG 8 2HD ARG 8 -7.888 1.169 -4.528 38 HE ARG 8 HE ARG 8 -6.845 3.195 -4.884 39 HH11 ARG 8 2HH1 ARG 8 -8.581 2.224 -7.741 40 HH12 ARG 8 1HH1 ARG 8 -8.419 3.763 -8.520 41 HH21 ARG 8 2HH2 ARG 8 -6.624 5.225 -5.900 42 HH22 ARG 8 1HH2 ARG 8 -7.304 5.468 -7.473 43 H VAL 9 H VAL 9 -4.661 1.216 -9.596 44 HA VAL 9 HA VAL 9 -2.211 0.311 -8.236 45 HB VAL 9 HB VAL 9 -2.590 1.736 -10.866 46 HG11 VAL 9 1HG1 VAL 9 -0.177 1.471 -9.137 47 HG12 VAL 9 2HG1 VAL 9 0.011 1.403 -10.891 48 HG13 VAL 9 3HG1 VAL 9 -0.706 2.826 -10.134 49 HG21 VAL 9 1HG2 VAL 9 -0.967 -0.376 -11.334 50 HG22 VAL 9 2HG2 VAL 9 -1.954 -1.009 -10.017 51 HG23 VAL 9 3HG2 VAL 9 -2.723 -0.426 -11.492 52 H VAL 10 H VAL 10 -1.764 1.531 -6.522 53 HA VAL 10 HA VAL 10 -2.522 4.344 -6.475 54 HB VAL 10 HB VAL 10 -1.068 3.005 -4.230 55 HG11 VAL 10 1HG1 VAL 10 -1.792 5.483 -4.372 56 HG12 VAL 10 2HG1 VAL 10 -3.410 4.860 -4.042 57 HG13 VAL 10 3HG1 VAL 10 -2.106 4.587 -2.886 58 HG21 VAL 10 1HG2 VAL 10 -4.015 2.679 -4.787 59 HG22 VAL 10 2HG2 VAL 10 -2.800 1.409 -4.931 60 HG23 VAL 10 3HG2 VAL 10 -3.155 2.115 -3.354 61 H VAL 11 H VAL 11 -1.051 6.032 -6.057 62 HA VAL 11 HA VAL 11 1.799 5.411 -6.332 63 HB VAL 11 HB VAL 11 0.349 7.437 -8.042 64 HG11 VAL 11 1HG1 VAL 11 3.203 7.026 -7.388 65 HG12 VAL 11 2HG1 VAL 11 2.815 7.344 -9.080 66 HG13 VAL 11 3HG1 VAL 11 2.340 8.498 -7.833 67 HG21 VAL 11 1HG2 VAL 11 0.749 6.054 -9.884 68 HG22 VAL 11 2HG2 VAL 11 1.931 5.078 -9.012 69 HG23 VAL 11 3HG2 VAL 11 0.216 4.942 -8.624 70 H ILE 12 H ILE 12 2.889 6.404 -4.780 71 HA ILE 12 HA ILE 12 1.956 9.034 -3.847 72 HB ILE 12 HB ILE 12 3.082 6.921 -2.013 73 HG12 ILE 12 1HG1 ILE 12 0.218 7.757 -1.910 74 HG13 ILE 12 2HG1 ILE 12 0.701 6.594 -3.140 75 HG21 ILE 12 1HG2 ILE 12 3.484 9.057 -1.111 76 HG22 ILE 12 2HG2 ILE 12 1.896 9.649 -1.594 77 HG23 ILE 12 3HG2 ILE 12 2.038 8.470 -0.290 78 HD11 ILE 12 1HD1 ILE 12 -0.166 5.568 -1.064 79 HD12 ILE 12 2HD1 ILE 12 1.477 5.068 -1.467 80 HD13 ILE 12 3HD1 ILE 12 1.204 6.257 -0.194 81 H LYS 13 H LYS 13 3.639 10.290 -2.729 82 HA LYS 13 HA LYS 13 6.387 9.510 -3.343 83 HB2 LYS 13 1HB LYS 13 5.571 12.301 -4.027 84 HB3 LYS 13 2HB LYS 13 6.902 11.340 -4.658 85 HG2 LYS 13 1HG LYS 13 4.958 9.887 -5.658 86 HG3 LYS 13 2HG LYS 13 4.041 11.384 -5.467 87 HD2 LYS 13 1HD LYS 13 6.085 12.472 -6.655 88 HD3 LYS 13 2HD LYS 13 6.422 10.824 -7.191 89 HE2 LYS 13 1HE LYS 13 5.116 11.613 -8.917 90 HE3 LYS 13 2HE LYS 13 3.910 10.839 -7.890 91 HZ1 LYS 13 1HZ LYS 13 3.205 13.035 -8.648 92 HZ2 LYS 13 2HZ LYS 13 4.543 13.741 -7.892 93 HZ3 LYS 13 3HZ LYS 13 3.350 12.983 -6.963 94 H LYS 14 H LYS 14 7.343 9.593 -1.421 95 HA LYS 14 HA LYS 14 6.599 10.705 0.901 96 HB2 LYS 14 1HB LYS 14 8.804 9.436 0.187 97 HB3 LYS 14 2HB LYS 14 9.474 11.062 0.172 98 HG2 LYS 14 1HG LYS 14 8.971 11.374 2.479 99 HG3 LYS 14 2HG LYS 14 8.039 9.876 2.534 100 HD2 LYS 14 1HD LYS 14 10.912 9.798 1.718 101 HD3 LYS 14 2HD LYS 14 10.495 9.933 3.428 102 HE2 LYS 14 1HE LYS 14 8.954 7.929 3.012 103 HE3 LYS 14 2HE LYS 14 9.840 7.724 1.502 104 HZ1 LYS 14 1HZ LYS 14 11.900 7.616 2.834 105 HZ2 LYS 14 2HZ LYS 14 10.826 6.354 3.172 106 HZ3 LYS 14 3HZ LYS 14 10.969 7.653 4.246 107 H GLY 15 H GLY 15 6.231 12.666 1.721 108 HA2 GLY 15 1HA GLY 15 7.466 14.989 0.385 109 HA3 GLY 15 2HA GLY 15 5.748 14.972 0.751 110 H SER 16 H SER 16 5.416 14.222 3.204 111 HA SER 16 HA SER 16 6.982 16.146 4.769 112 HB2 SER 16 1HB SER 16 4.552 16.482 4.773 113 HB3 SER 16 2HB SER 16 4.317 14.843 5.380 114 HG SER 16 HG SER 16 6.010 16.515 6.829 115 H ASN 17 H ASN 17 8.696 14.388 4.667 116 HA ASN 17 HA ASN 17 9.863 12.659 5.602 117 HB2 ASN 17 1HB ASN 17 9.687 14.466 7.422 118 HB3 ASN 17 2HB ASN 17 8.489 13.417 8.174 119 HD21 ASN 17 1HD2 ASN 17 11.445 14.312 8.619 120 HD22 ASN 17 2HD2 ASN 17 12.206 12.841 9.110 121 H GLY 18 H GLY 18 7.501 11.773 4.411 122 HA2 GLY 18 1HA GLY 18 7.254 9.185 5.228 123 HA3 GLY 18 2HA GLY 18 6.072 10.040 6.208 124 H TYR 19 H TYR 19 4.990 8.198 4.719 125 HA TYR 19 HA TYR 19 4.170 9.367 2.167 126 HB2 TYR 19 1HB TYR 19 3.716 6.629 3.365 127 HB3 TYR 19 2HB TYR 19 3.062 7.144 1.815 128 HD1 TYR 19 2HD TYR 19 4.540 7.492 -0.105 129 HD2 TYR 19 1HD TYR 19 6.059 6.109 3.621 130 HE1 TYR 19 2HE TYR 19 6.620 6.796 -1.218 131 HE2 TYR 19 1HE TYR 19 8.144 5.411 2.518 132 HH TYR 19 HH TYR 19 9.314 5.406 0.626 133 H GLY 20 H GLY 20 2.635 7.881 5.027 134 HA2 GLY 20 1HA GLY 20 0.881 9.334 6.080 135 HA3 GLY 20 2HA GLY 20 0.248 9.527 4.452 136 H PHE 21 H PHE 21 1.417 6.432 4.776 137 HA PHE 21 HA PHE 21 -1.148 5.383 5.751 138 HB2 PHE 21 1HB PHE 21 -1.441 3.951 3.926 139 HB3 PHE 21 2HB PHE 21 -0.887 5.443 3.175 140 HD1 PHE 21 2HD PHE 21 0.059 2.023 4.121 141 HD2 PHE 21 1HD PHE 21 1.219 5.563 2.062 142 HE1 PHE 21 2HE PHE 21 1.896 0.791 3.044 143 HE2 PHE 21 1HE PHE 21 3.058 4.336 0.981 144 HZ PHE 21 HZ PHE 21 3.399 1.947 1.473 145 H TYR 22 H TYR 22 -1.066 3.223 6.570 146 HA TYR 22 HA TYR 22 1.653 2.324 7.266 147 HB2 TYR 22 1HB TYR 22 -0.829 2.310 8.993 148 HB3 TYR 22 2HB TYR 22 0.676 1.503 9.419 149 HD1 TYR 22 1HD TYR 22 -0.845 4.815 8.750 150 HD2 TYR 22 2HD TYR 22 2.467 2.704 10.387 151 HE1 TYR 22 1HE TYR 22 -0.021 6.901 9.758 152 HE2 TYR 22 2HE TYR 22 3.299 4.784 11.401 153 HH TYR 22 HH TYR 22 1.433 7.578 11.660 154 H LEU 23 H LEU 23 1.523 -0.038 8.146 155 HA LEU 23 HA LEU 23 -0.371 -1.619 6.557 156 HB2 LEU 23 1HB LEU 23 2.617 -2.002 6.648 157 HB3 LEU 23 2HB LEU 23 1.484 -3.168 5.968 158 HG LEU 23 HG LEU 23 1.817 -0.356 4.934 159 HD11 LEU 23 1HD1 LEU 23 2.833 -2.013 3.021 160 HD12 LEU 23 2HD1 LEU 23 3.419 -2.764 4.504 161 HD13 LEU 23 3HD1 LEU 23 3.791 -1.074 4.166 162 HD21 LEU 23 1HD2 LEU 23 -0.307 -1.870 4.574 163 HD22 LEU 23 2HD2 LEU 23 0.725 -2.640 3.368 164 HD23 LEU 23 3HD2 LEU 23 0.369 -0.915 3.254 165 H ARG 24 H ARG 24 -1.327 -3.141 7.732 166 HA ARG 24 HA ARG 24 0.037 -4.098 10.162 167 HB2 ARG 24 1HB ARG 24 -1.842 -2.620 10.726 168 HB3 ARG 24 2HB ARG 24 -2.925 -3.628 9.776 169 HG2 ARG 24 1HG ARG 24 -2.731 -5.430 11.295 170 HG3 ARG 24 2HG ARG 24 -1.377 -4.667 12.131 171 HD2 ARG 24 1HD ARG 24 -3.038 -2.762 12.625 172 HD3 ARG 24 2HD ARG 24 -4.283 -3.930 12.183 173 HE ARG 24 HE ARG 24 -2.461 -4.968 14.121 174 HH11 ARG 24 2HH1 ARG 24 -5.267 -2.952 13.693 175 HH12 ARG 24 1HH1 ARG 24 -5.855 -3.204 15.303 176 HH21 ARG 24 2HH2 ARG 24 -3.225 -5.307 16.244 177 HH22 ARG 24 1HH2 ARG 24 -4.692 -4.543 16.753 178 H ALA 25 H ALA 25 -0.786 -6.243 10.917 179 HA ALA 25 HA ALA 25 -0.903 -8.053 8.649 180 HB1 ALA 25 1HB ALA 25 0.662 -8.543 10.440 181 HB2 ALA 25 2HB ALA 25 -0.663 -8.617 11.602 182 HB3 ALA 25 3HB ALA 25 -0.550 -9.818 10.315 183 H GLY 26 H GLY 26 -2.920 -8.146 7.798 184 HA2 GLY 26 1HA GLY 26 -5.280 -8.141 9.443 185 HA3 GLY 26 2HA GLY 26 -5.222 -8.363 7.700 186 HA PRO 27 HA PRO 27 -6.479 -12.408 9.499 187 HB2 PRO 27 1HB PRO 27 -8.268 -12.968 7.536 188 HB3 PRO 27 2HB PRO 27 -8.672 -11.991 8.952 189 HG2 PRO 27 1HG PRO 27 -7.950 -11.107 6.185 190 HG3 PRO 27 2HG PRO 27 -9.222 -10.496 7.259 191 HD2 PRO 27 1HD PRO 27 -6.851 -9.228 6.940 192 HD3 PRO 27 2HD PRO 27 -7.751 -9.199 8.470 193 H GLU 28 H GLU 28 -7.072 -14.424 7.762 194 HA GLU 28 HA GLU 28 -4.495 -15.068 6.705 195 HB2 GLU 28 1HB GLU 28 -7.148 -16.482 6.753 196 HB3 GLU 28 2HB GLU 28 -5.788 -17.132 5.850 197 HG2 GLU 28 1HG GLU 28 -5.391 -16.397 8.704 198 HG3 GLU 28 2HG GLU 28 -6.266 -17.877 8.314 199 H GLN 29 H GLN 29 -4.787 -12.971 5.311 200 HA GLN 29 HA GLN 29 -5.575 -13.881 2.634 201 HB2 GLN 29 1HB GLN 29 -6.381 -11.336 4.011 202 HB3 GLN 29 2HB GLN 29 -6.281 -11.415 2.258 203 HG2 GLN 29 1HG GLN 29 -8.131 -12.869 4.102 204 HG3 GLN 29 2HG GLN 29 -8.515 -11.841 2.722 205 HE21 GLN 29 1HE2 GLN 29 -8.960 -14.782 3.598 206 HE22 GLN 29 2HE2 GLN 29 -8.634 -15.665 2.149 207 H LYS 30 H LYS 30 -3.549 -14.143 1.841 208 HA LYS 30 HA LYS 30 -1.209 -12.960 2.313 209 HB2 LYS 30 1HB LYS 30 -2.442 -13.735 -0.311 210 HB3 LYS 30 2HB LYS 30 -0.830 -13.035 -0.265 211 HG2 LYS 30 1HG LYS 30 -0.587 -15.394 -0.295 212 HG3 LYS 30 2HG LYS 30 -0.177 -14.843 1.331 213 HD2 LYS 30 1HD LYS 30 -2.993 -15.629 0.796 214 HD3 LYS 30 2HD LYS 30 -1.785 -16.911 0.910 215 HE2 LYS 30 1HE LYS 30 -1.904 -14.780 3.003 216 HE3 LYS 30 2HE LYS 30 -3.055 -16.115 3.044 217 HZ1 LYS 30 1HZ LYS 30 -0.115 -16.214 3.303 218 HZ2 LYS 30 2HZ LYS 30 -0.999 -17.588 2.866 219 HZ3 LYS 30 3HZ LYS 30 -1.290 -16.832 4.351 220 H GLY 31 H GLY 31 -0.782 -10.896 2.763 221 HA2 GLY 31 1HA GLY 31 -0.352 -8.836 1.213 222 HA3 GLY 31 2HA GLY 31 -2.108 -8.788 1.214 223 H GLN 32 H GLN 32 -0.957 -6.575 2.069 224 HA GLN 32 HA GLN 32 -1.097 -6.720 5.009 225 HB2 GLN 32 1HB GLN 32 0.339 -4.625 3.374 226 HB3 GLN 32 2HB GLN 32 0.375 -4.810 5.122 227 HG2 GLN 32 1HG GLN 32 1.602 -6.599 3.048 228 HG3 GLN 32 2HG GLN 32 2.415 -5.661 4.299 229 HE21 GLN 32 1HE2 GLN 32 1.932 -6.275 6.547 230 HE22 GLN 32 2HE2 GLN 32 1.692 -7.948 6.904 231 H ILE 33 H ILE 33 -2.429 -5.332 6.086 232 HA ILE 33 HA ILE 33 -4.399 -3.931 4.456 233 HB ILE 33 HB ILE 33 -4.397 -4.317 7.449 234 HG12 ILE 33 1HG1 ILE 33 -5.568 -6.010 5.240 235 HG13 ILE 33 2HG1 ILE 33 -4.407 -6.502 6.468 236 HG21 ILE 33 1HG2 ILE 33 -6.548 -3.511 7.472 237 HG22 ILE 33 2HG2 ILE 33 -5.833 -2.522 6.200 238 HG23 ILE 33 3HG2 ILE 33 -6.832 -3.912 5.778 239 HD11 ILE 33 1HD1 ILE 33 -6.835 -7.239 6.737 240 HD12 ILE 33 2HD1 ILE 33 -6.024 -6.546 8.142 241 HD13 ILE 33 3HD1 ILE 33 -7.154 -5.569 7.204 242 H ILE 34 H ILE 34 -4.839 -1.753 4.594 243 HA ILE 34 HA ILE 34 -2.705 -0.127 5.772 244 HB ILE 34 HB ILE 34 -4.811 0.578 3.727 245 HG12 ILE 34 1HG1 ILE 34 -1.806 0.330 3.468 246 HG13 ILE 34 2HG1 ILE 34 -2.963 -0.888 2.941 247 HG21 ILE 34 1HG2 ILE 34 -4.505 2.691 4.353 248 HG22 ILE 34 2HG2 ILE 34 -3.180 2.254 5.429 249 HG23 ILE 34 3HG2 ILE 34 -2.865 2.554 3.720 250 HD11 ILE 34 1HD1 ILE 34 -3.937 0.810 1.405 251 HD12 ILE 34 2HD1 ILE 34 -2.615 1.890 1.850 252 HD13 ILE 34 3HD1 ILE 34 -2.270 0.362 1.041 253 H LYS 35 H LYS 35 -3.102 1.545 7.189 254 HA LYS 35 HA LYS 35 -5.720 2.399 7.912 255 HB2 LYS 35 1HB LYS 35 -5.492 1.578 10.328 256 HB3 LYS 35 2HB LYS 35 -5.981 0.400 9.117 257 HG2 LYS 35 1HG LYS 35 -3.759 -0.516 9.037 258 HG3 LYS 35 2HG LYS 35 -3.164 0.741 10.124 259 HD2 LYS 35 1HD LYS 35 -3.647 -1.528 11.161 260 HD3 LYS 35 2HD LYS 35 -4.370 -0.126 11.954 261 HE2 LYS 35 1HE LYS 35 -5.928 -1.558 9.855 262 HE3 LYS 35 2HE LYS 35 -5.781 -2.292 11.452 263 HZ1 LYS 35 1HZ LYS 35 -7.459 -0.994 12.053 264 HZ2 LYS 35 2HZ LYS 35 -7.394 -0.098 10.620 265 HZ3 LYS 35 3HZ LYS 35 -6.416 0.332 11.931 266 H ASP 36 H ASP 36 -5.656 3.900 9.814 267 HA ASP 36 HA ASP 36 -4.770 5.669 10.944 268 HB2 ASP 36 1HB ASP 36 -2.065 4.414 10.449 269 HB3 ASP 36 2HB ASP 36 -2.480 5.595 11.689 270 H ILE 37 H ILE 37 -5.232 5.791 8.129 271 HA ILE 37 HA ILE 37 -3.130 7.028 6.722 272 HB ILE 37 HB ILE 37 -6.116 7.107 6.354 273 HG12 ILE 37 1HG1 ILE 37 -3.910 5.869 4.694 274 HG13 ILE 37 2HG1 ILE 37 -4.884 4.996 5.873 275 HG21 ILE 37 1HG2 ILE 37 -5.271 9.221 5.542 276 HG22 ILE 37 2HG2 ILE 37 -4.010 8.397 4.627 277 HG23 ILE 37 3HG2 ILE 37 -5.702 8.190 4.177 278 HD11 ILE 37 1HD1 ILE 37 -5.882 4.493 3.845 279 HD12 ILE 37 2HD1 ILE 37 -6.891 5.791 4.484 280 HD13 ILE 37 3HD1 ILE 37 -5.698 6.137 3.234 281 H GLU 38 H GLU 38 -2.431 9.088 6.600 282 HA GLU 38 HA GLU 38 -3.452 10.966 8.567 283 HB2 GLU 38 1HB GLU 38 -1.064 11.046 6.721 284 HB3 GLU 38 2HB GLU 38 -1.495 12.360 7.806 285 HG2 GLU 38 1HG GLU 38 0.275 10.584 8.509 286 HG3 GLU 38 2HG GLU 38 -0.886 11.205 9.681 287 HA PRO 39 HA PRO 39 -5.895 13.308 5.755 288 HB2 PRO 39 1HB PRO 39 -5.890 15.692 7.054 289 HB3 PRO 39 2HB PRO 39 -6.817 14.295 7.613 290 HG2 PRO 39 1HG PRO 39 -4.162 15.306 8.556 291 HG3 PRO 39 2HG PRO 39 -5.537 14.717 9.508 292 HD2 PRO 39 1HD PRO 39 -3.368 13.185 8.980 293 HD3 PRO 39 2HD PRO 39 -4.999 12.505 9.150 294 H GLY 40 H GLY 40 -5.646 14.658 4.023 295 HA2 GLY 40 1HA GLY 40 -4.506 15.808 2.392 296 HA3 GLY 40 2HA GLY 40 -3.900 16.778 3.727 297 H SER 41 H SER 41 -3.167 13.409 3.715 298 HA SER 41 HA SER 41 -0.351 14.048 3.302 299 HB2 SER 41 1HB SER 41 0.159 12.080 4.438 300 HB3 SER 41 2HB SER 41 -1.349 12.566 5.213 301 HG SER 41 HG SER 41 -2.416 11.131 3.716 302 HA PRO 42 HA PRO 42 0.325 12.536 -0.745 303 HB2 PRO 42 1HB PRO 42 2.125 10.482 0.454 304 HB3 PRO 42 2HB PRO 42 2.440 11.629 -0.853 305 HG2 PRO 42 1HG PRO 42 3.402 12.027 1.616 306 HG3 PRO 42 2HG PRO 42 2.861 13.375 0.599 307 HD2 PRO 42 1HD PRO 42 1.584 12.164 2.972 308 HD3 PRO 42 2HD PRO 42 1.494 13.825 2.352 309 H ALA 43 H ALA 43 -0.370 10.208 1.789 310 HA ALA 43 HA ALA 43 -1.057 8.076 -0.004 311 HB1 ALA 43 1HB ALA 43 -2.256 7.540 2.451 312 HB2 ALA 43 2HB ALA 43 -0.689 6.960 1.882 313 HB3 ALA 43 3HB ALA 43 -0.787 8.434 2.846 314 H GLU 44 H GLU 44 -2.880 10.409 1.954 315 HA GLU 44 HA GLU 44 -5.443 9.442 1.250 316 HB2 GLU 44 1HB GLU 44 -5.251 10.799 3.201 317 HB3 GLU 44 2HB GLU 44 -4.490 12.103 2.300 318 HG2 GLU 44 1HG GLU 44 -7.308 11.191 1.798 319 HG3 GLU 44 2HG GLU 44 -6.891 12.461 2.947 320 H ALA 45 H ALA 45 -3.377 11.974 -0.100 321 HA ALA 45 HA ALA 45 -5.276 12.869 -2.024 322 HB1 ALA 45 1HB ALA 45 -2.585 13.392 -2.856 323 HB2 ALA 45 2HB ALA 45 -3.809 14.516 -2.264 324 HB3 ALA 45 3HB ALA 45 -2.746 13.691 -1.125 325 H ALA 46 H ALA 46 -2.877 10.345 -1.949 326 HA ALA 46 HA ALA 46 -2.622 9.904 -4.722 327 HB1 ALA 46 1HB ALA 46 -2.269 8.006 -2.407 328 HB2 ALA 46 2HB ALA 46 -1.790 7.665 -4.070 329 HB3 ALA 46 3HB ALA 46 -1.019 8.979 -3.182 330 H GLY 47 H GLY 47 -5.006 8.886 -2.370 331 HA2 GLY 47 1HA GLY 47 -7.252 8.466 -3.300 332 HA3 GLY 47 2HA GLY 47 -6.460 7.516 -4.548 333 H LEU 48 H LEU 48 -4.848 6.959 -1.718 334 HA LEU 48 HA LEU 48 -5.467 4.288 -1.508 335 HB2 LEU 48 1HB LEU 48 -4.315 6.304 0.337 336 HB3 LEU 48 2HB LEU 48 -4.823 4.766 1.032 337 HG LEU 48 HG LEU 48 -2.702 5.242 -1.050 338 HD11 LEU 48 1HD1 LEU 48 -1.219 4.295 0.564 339 HD12 LEU 48 2HD1 LEU 48 -2.560 3.877 1.630 340 HD13 LEU 48 3HD1 LEU 48 -2.145 5.569 1.358 341 HD21 LEU 48 1HD2 LEU 48 -4.087 2.710 -0.234 342 HD22 LEU 48 2HD2 LEU 48 -2.433 2.701 -0.845 343 HD23 LEU 48 3HD2 LEU 48 -3.744 3.313 -1.855 344 H LYS 49 H LYS 49 -6.337 3.406 0.775 345 HA LYS 49 HA LYS 49 -8.647 4.744 1.801 346 HB2 LYS 49 1HB LYS 49 -8.977 2.486 -0.159 347 HB3 LYS 49 2HB LYS 49 -10.188 2.801 1.077 348 HG2 LYS 49 1HG LYS 49 -10.022 5.253 0.099 349 HG3 LYS 49 2HG LYS 49 -9.473 4.377 -1.331 350 HD2 LYS 49 1HD LYS 49 -11.490 3.165 -1.487 351 HD3 LYS 49 2HD LYS 49 -11.984 3.627 0.144 352 HE2 LYS 49 1HE LYS 49 -11.563 5.692 -1.988 353 HE3 LYS 49 2HE LYS 49 -13.083 4.806 -1.874 354 HZ1 LYS 49 1HZ LYS 49 -12.627 5.614 0.676 355 HZ2 LYS 49 2HZ LYS 49 -13.669 6.369 -0.422 356 HZ3 LYS 49 3HZ LYS 49 -12.086 6.935 -0.232 357 H ASN 50 H ASN 50 -9.018 4.065 3.821 358 HA ASN 50 HA ASN 50 -7.345 2.324 5.161 359 HB2 ASN 50 1HB ASN 50 -10.207 2.963 5.907 360 HB3 ASN 50 2HB ASN 50 -8.944 2.398 6.997 361 HD21 ASN 50 1HD2 ASN 50 -6.903 3.826 6.874 362 HD22 ASN 50 2HD2 ASN 50 -7.191 5.528 6.953 363 H ASN 51 H ASN 51 -7.484 0.194 5.850 364 HA ASN 51 HA ASN 51 -8.085 -2.006 5.837 365 HB2 ASN 51 1HB ASN 51 -10.677 -1.206 4.513 366 HB3 ASN 51 2HB ASN 51 -10.352 -2.645 5.474 367 HD21 ASN 51 1HD2 ASN 51 -11.539 -2.499 7.237 368 HD22 ASN 51 2HD2 ASN 51 -11.652 -1.119 8.271 369 H ASP 52 H ASP 52 -6.761 -0.624 3.601 370 HA ASP 52 HA ASP 52 -7.652 -2.108 1.256 371 HB2 ASP 52 1HB ASP 52 -5.825 0.188 1.750 372 HB3 ASP 52 2HB ASP 52 -5.484 -0.829 0.352 373 H LEU 53 H LEU 53 -6.864 -4.038 0.770 374 HA LEU 53 HA LEU 53 -4.480 -5.004 2.135 375 HB2 LEU 53 1HB LEU 53 -6.514 -6.387 2.073 376 HB3 LEU 53 2HB LEU 53 -6.404 -6.446 0.315 377 HG LEU 53 HG LEU 53 -5.603 -8.479 1.664 378 HD11 LEU 53 1HD1 LEU 53 -4.379 -9.098 -0.130 379 HD12 LEU 53 2HD1 LEU 53 -3.416 -7.621 -0.124 380 HD13 LEU 53 3HD1 LEU 53 -5.042 -7.611 -0.806 381 HD21 LEU 53 1HD2 LEU 53 -3.032 -6.968 1.873 382 HD22 LEU 53 2HD2 LEU 53 -3.543 -8.434 2.710 383 HD23 LEU 53 3HD2 LEU 53 -4.223 -6.873 3.171 384 H VAL 54 H VAL 54 -2.568 -4.704 1.218 385 HA VAL 54 HA VAL 54 -2.360 -4.335 -1.664 386 HB VAL 54 HB VAL 54 -0.226 -4.136 0.467 387 HG11 VAL 54 1HG1 VAL 54 0.317 -2.664 -1.930 388 HG12 VAL 54 2HG1 VAL 54 1.269 -3.937 -1.163 389 HG13 VAL 54 3HG1 VAL 54 0.010 -4.355 -2.326 390 HG21 VAL 54 1HG2 VAL 54 -2.177 -2.477 0.506 391 HG22 VAL 54 2HG2 VAL 54 -0.542 -1.816 0.484 392 HG23 VAL 54 3HG2 VAL 54 -1.502 -1.845 -0.995 393 H VAL 55 H VAL 55 -1.820 -5.914 -3.009 394 HA VAL 55 HA VAL 55 -0.753 -8.412 -1.907 395 HB VAL 55 HB VAL 55 -1.284 -9.269 -4.269 396 HG11 VAL 55 1HG1 VAL 55 -3.721 -8.368 -2.775 397 HG12 VAL 55 2HG1 VAL 55 -3.430 -9.894 -3.612 398 HG13 VAL 55 3HG1 VAL 55 -2.616 -9.556 -2.084 399 HG21 VAL 55 1HG2 VAL 55 -2.928 -8.028 -5.532 400 HG22 VAL 55 2HG2 VAL 55 -2.943 -6.749 -4.318 401 HG23 VAL 55 3HG2 VAL 55 -1.497 -7.027 -5.288 402 H ALA 56 H ALA 56 0.077 -5.745 -3.948 403 HA ALA 56 HA ALA 56 2.765 -6.844 -4.262 404 HB1 ALA 56 1HB ALA 56 0.956 -6.930 -6.359 405 HB2 ALA 56 2HB ALA 56 1.945 -5.509 -6.698 406 HB3 ALA 56 3HB ALA 56 2.710 -7.083 -6.475 407 H VAL 57 H VAL 57 4.378 -5.247 -4.715 408 HA VAL 57 HA VAL 57 3.541 -2.453 -4.449 409 HB VAL 57 HB VAL 57 5.593 -3.779 -2.673 410 HG11 VAL 57 1HG1 VAL 57 5.554 -1.143 -3.638 411 HG12 VAL 57 2HG1 VAL 57 4.989 -1.066 -1.968 412 HG13 VAL 57 3HG1 VAL 57 6.548 -1.802 -2.340 413 HG21 VAL 57 1HG2 VAL 57 4.074 -2.883 -0.871 414 HG22 VAL 57 2HG2 VAL 57 2.894 -2.554 -2.140 415 HG23 VAL 57 3HG2 VAL 57 3.417 -4.210 -1.830 416 H ASN 58 H ASN 58 4.467 -1.316 -6.010 417 HA ASN 58 HA ASN 58 5.946 -0.578 -7.571 418 HB2 ASN 58 1HB ASN 58 7.712 -1.754 -5.481 419 HB3 ASN 58 2HB ASN 58 8.438 -1.379 -7.041 420 HD21 ASN 58 1HD2 ASN 58 8.852 -0.181 -4.399 421 HD22 ASN 58 2HD2 ASN 58 8.529 1.505 -4.593 422 H GLY 59 H GLY 59 4.575 -3.106 -7.942 423 HA2 GLY 59 1HA GLY 59 4.507 -4.668 -9.640 424 HA3 GLY 59 2HA GLY 59 6.039 -4.034 -10.222 425 H LYS 60 H LYS 60 5.645 -5.143 -6.940 426 HA LYS 60 HA LYS 60 7.092 -7.617 -7.599 427 HB2 LYS 60 1HB LYS 60 7.777 -5.596 -5.468 428 HB3 LYS 60 2HB LYS 60 8.367 -7.252 -5.421 429 HG2 LYS 60 1HG LYS 60 9.143 -6.652 -7.881 430 HG3 LYS 60 2HG LYS 60 9.117 -5.017 -7.216 431 HD2 LYS 60 1HD LYS 60 10.452 -6.088 -5.252 432 HD3 LYS 60 2HD LYS 60 10.798 -7.362 -6.425 433 HE2 LYS 60 1HE LYS 60 11.290 -4.438 -6.952 434 HE3 LYS 60 2HE LYS 60 12.509 -5.520 -6.280 435 HZ1 LYS 60 1HZ LYS 60 11.208 -6.447 -8.701 436 HZ2 LYS 60 2HZ LYS 60 12.837 -6.515 -8.252 437 HZ3 LYS 60 3HZ LYS 60 12.195 -5.085 -8.887 438 H SER 61 H SER 61 6.703 -9.380 -6.240 439 HA SER 61 HA SER 61 4.115 -9.407 -5.026 440 HB2 SER 61 1HB SER 61 6.280 -11.525 -4.975 441 HB3 SER 61 2HB SER 61 4.584 -11.765 -4.557 442 HG SER 61 HG SER 61 4.084 -11.824 -6.608 443 H VAL 62 H VAL 62 3.640 -8.791 -3.034 444 HA VAL 62 HA VAL 62 5.723 -8.992 -0.957 445 HB VAL 62 HB VAL 62 5.100 -6.967 0.003 446 HG11 VAL 62 1HG1 VAL 62 5.935 -5.668 -1.596 447 HG12 VAL 62 2HG1 VAL 62 5.728 -7.014 -2.719 448 HG13 VAL 62 3HG1 VAL 62 4.458 -5.802 -2.551 449 HG21 VAL 62 1HG2 VAL 62 2.581 -7.017 -1.657 450 HG22 VAL 62 2HG2 VAL 62 2.693 -7.382 0.065 451 HG23 VAL 62 3HG2 VAL 62 3.041 -5.753 -0.516 452 H GLU 63 H GLU 63 2.460 -9.608 -1.892 453 HA GLU 63 HA GLU 63 1.178 -9.936 0.541 454 HB2 GLU 63 1HB GLU 63 -0.468 -11.097 -0.609 455 HB3 GLU 63 2HB GLU 63 0.287 -10.160 -1.890 456 HG2 GLU 63 1HG GLU 63 1.017 -13.009 -1.272 457 HG3 GLU 63 2HG GLU 63 -0.213 -12.548 -2.447 458 H ALA 64 H ALA 64 3.543 -11.960 -1.018 459 HA ALA 64 HA ALA 64 3.085 -14.229 0.702 460 HB1 ALA 64 1HB ALA 64 5.336 -13.652 -1.221 461 HB2 ALA 64 2HB ALA 64 5.047 -15.191 -0.407 462 HB3 ALA 64 3HB ALA 64 3.875 -14.575 -1.572 463 H LEU 65 H LEU 65 4.888 -11.321 0.847 464 HA LEU 65 HA LEU 65 6.871 -12.287 2.704 465 HB2 LEU 65 1HB LEU 65 6.200 -9.688 1.437 466 HB3 LEU 65 2HB LEU 65 7.103 -9.652 2.950 467 HG LEU 65 HG LEU 65 7.991 -11.156 0.492 468 HD11 LEU 65 1HD1 LEU 65 9.735 -9.093 0.791 469 HD12 LEU 65 2HD1 LEU 65 8.206 -8.325 1.214 470 HD13 LEU 65 3HD1 LEU 65 8.391 -9.119 -0.350 471 HD21 LEU 65 1HD2 LEU 65 9.084 -12.128 2.284 472 HD22 LEU 65 2HD2 LEU 65 9.167 -10.617 3.189 473 HD23 LEU 65 3HD2 LEU 65 10.215 -10.867 1.793 474 H ASP 66 H ASP 66 7.140 -10.831 4.768 475 HA ASP 66 HA ASP 66 4.555 -10.906 6.171 476 HB2 ASP 66 1HB ASP 66 6.566 -12.363 6.909 477 HB3 ASP 66 2HB ASP 66 7.231 -10.858 7.539 478 H HIS 67 H HIS 67 4.572 -9.362 8.154 479 HA HIS 67 HA HIS 67 4.200 -6.814 7.471 480 HB2 HIS 67 1HB HIS 67 3.798 -7.567 9.736 481 HB3 HIS 67 2HB HIS 67 5.526 -7.753 10.022 482 HD1 HIS 67 1HD HIS 67 2.996 -5.616 11.006 483 HD2 HIS 67 2HD HIS 67 6.747 -4.937 9.353 484 HE1 HIS 67 1HE HIS 67 3.581 -3.247 11.616 485 HE2 HIS 67 2HE HIS 67 5.817 -2.831 10.533 486 H ASP 68 H ASP 68 7.340 -7.797 8.854 487 HA ASP 68 HA ASP 68 8.707 -5.451 8.237 488 HB2 ASP 68 1HB ASP 68 9.980 -8.187 8.300 489 HB3 ASP 68 2HB ASP 68 10.719 -6.642 8.710 490 H GLY 69 H GLY 69 8.530 -8.493 6.395 491 HA2 GLY 69 1HA GLY 69 10.205 -7.863 4.293 492 HA3 GLY 69 2HA GLY 69 8.792 -8.898 4.149 493 H VAL 70 H VAL 70 6.656 -7.574 4.097 494 HA VAL 70 HA VAL 70 6.535 -6.162 1.732 495 HB VAL 70 HB VAL 70 4.669 -5.841 4.086 496 HG11 VAL 70 1HG1 VAL 70 4.565 -4.974 1.243 497 HG12 VAL 70 2HG1 VAL 70 3.068 -5.497 2.019 498 HG13 VAL 70 3HG1 VAL 70 3.992 -4.156 2.696 499 HG21 VAL 70 1HG2 VAL 70 3.341 -7.599 3.048 500 HG22 VAL 70 2HG2 VAL 70 4.541 -7.768 1.766 501 HG23 VAL 70 3HG2 VAL 70 4.961 -8.186 3.427 502 H VAL 71 H VAL 71 6.124 -4.664 4.946 503 HA VAL 71 HA VAL 71 6.168 -2.041 4.326 504 HB VAL 71 HB VAL 71 7.557 -3.398 6.632 505 HG11 VAL 71 1HG1 VAL 71 8.694 -1.395 6.637 506 HG12 VAL 71 2HG1 VAL 71 7.339 -0.501 5.945 507 HG13 VAL 71 3HG1 VAL 71 7.295 -1.002 7.636 508 HG21 VAL 71 1HG2 VAL 71 5.513 -2.130 7.741 509 HG22 VAL 71 2HG2 VAL 71 4.847 -2.293 6.116 510 HG23 VAL 71 3HG2 VAL 71 5.332 -3.729 7.019 511 H GLU 72 H GLU 72 8.999 -4.149 4.494 512 HA GLU 72 HA GLU 72 10.979 -2.197 4.183 513 HB2 GLU 72 1HB GLU 72 11.240 -4.683 4.755 514 HB3 GLU 72 2HB GLU 72 11.170 -4.968 3.022 515 HG2 GLU 72 1HG GLU 72 13.444 -4.891 3.521 516 HG3 GLU 72 2HG GLU 72 13.086 -3.310 2.830 517 H MET 73 H MET 73 9.233 -4.105 1.751 518 HA MET 73 HA MET 73 10.519 -3.323 -0.542 519 HB2 MET 73 1HB MET 73 7.520 -3.571 -0.302 520 HB3 MET 73 2HB MET 73 8.497 -3.829 -1.741 521 HG2 MET 73 1HG MET 73 8.443 -5.528 0.740 522 HG3 MET 73 2HG MET 73 7.816 -5.945 -0.853 523 HE1 MET 73 1HE MET 73 9.875 -7.784 -2.422 524 HE2 MET 73 2HE MET 73 8.871 -6.367 -2.733 525 HE3 MET 73 3HE MET 73 10.595 -6.325 -3.106 526 H ILE 74 H ILE 74 7.889 -1.611 1.123 527 HA ILE 74 HA ILE 74 7.675 0.522 -0.694 528 HB ILE 74 HB ILE 74 7.064 0.486 2.263 529 HG12 ILE 74 1HG1 ILE 74 4.664 0.405 1.121 530 HG13 ILE 74 2HG1 ILE 74 5.576 -0.340 -0.187 531 HG21 ILE 74 1HG2 ILE 74 6.590 2.647 2.111 532 HG22 ILE 74 2HG2 ILE 74 7.120 2.650 0.430 533 HG23 ILE 74 3HG2 ILE 74 5.435 2.309 0.822 534 HD11 ILE 74 1HD1 ILE 74 5.750 -2.266 0.905 535 HD12 ILE 74 2HD1 ILE 74 6.210 -1.470 2.411 536 HD13 ILE 74 3HD1 ILE 74 4.507 -1.630 1.981 537 H ARG 75 H ARG 75 9.440 0.300 2.392 538 HA ARG 75 HA ARG 75 10.542 2.838 2.432 539 HB2 ARG 75 1HB ARG 75 11.320 0.204 3.579 540 HB3 ARG 75 2HB ARG 75 12.525 1.485 3.596 541 HG2 ARG 75 1HG ARG 75 11.500 1.733 5.644 542 HG3 ARG 75 2HG ARG 75 10.645 2.913 4.649 543 HD2 ARG 75 1HD ARG 75 8.846 1.280 4.288 544 HD3 ARG 75 2HD ARG 75 9.698 0.128 5.315 545 HE ARG 75 HE ARG 75 8.895 1.236 7.144 546 HH11 ARG 75 2HH1 ARG 75 8.618 3.310 4.362 547 HH12 ARG 75 1HH1 ARG 75 7.734 4.539 5.204 548 HH21 ARG 75 2HH2 ARG 75 7.731 2.847 8.263 549 HH22 ARG 75 1HH2 ARG 75 7.231 4.275 7.423 550 H LYS 76 H LYS 76 11.813 -0.106 0.912 551 HA LYS 76 HA LYS 76 14.251 0.887 0.021 552 HB2 LYS 76 1HB LYS 76 12.430 -1.161 -1.255 553 HB3 LYS 76 2HB LYS 76 14.094 -0.873 -1.749 554 HG2 LYS 76 1HG LYS 76 14.961 -1.734 0.234 555 HG3 LYS 76 2HG LYS 76 13.420 -1.581 1.082 556 HD2 LYS 76 1HD LYS 76 13.397 -3.826 0.671 557 HD3 LYS 76 2HD LYS 76 12.635 -3.258 -0.816 558 HE2 LYS 76 1HE LYS 76 14.651 -3.478 -2.039 559 HE3 LYS 76 2HE LYS 76 15.602 -3.691 -0.570 560 HZ1 LYS 76 1HZ LYS 76 15.339 -5.811 -1.547 561 HZ2 LYS 76 2HZ LYS 76 13.675 -5.600 -1.766 562 HZ3 LYS 76 3HZ LYS 76 14.306 -5.782 -0.207 563 H GLY 77 H GLY 77 11.034 1.172 -1.391 564 HA2 GLY 77 1HA GLY 77 11.491 2.028 -3.925 565 HA3 GLY 77 2HA GLY 77 10.245 2.728 -2.904 566 H GLY 78 H GLY 78 12.131 3.849 -0.988 567 HA2 GLY 78 1HA GLY 78 13.774 5.546 -0.856 568 HA3 GLY 78 2HA GLY 78 13.641 5.775 -2.594 569 H ASP 79 H ASP 79 12.104 7.164 -3.421 570 HA ASP 79 HA ASP 79 10.875 8.943 -1.436 571 HB2 ASP 79 1HB ASP 79 12.456 9.721 -3.373 572 HB3 ASP 79 2HB ASP 79 11.010 9.566 -4.366 573 H GLN 80 H GLN 80 10.068 7.688 -4.680 574 HA GLN 80 HA GLN 80 7.239 7.688 -3.877 575 HB2 GLN 80 1HB GLN 80 6.659 7.872 -6.181 576 HB3 GLN 80 2HB GLN 80 7.930 9.049 -5.878 577 HG2 GLN 80 1HG GLN 80 9.543 7.274 -6.739 578 HG3 GLN 80 2HG GLN 80 8.111 6.438 -7.337 579 HE21 GLN 80 1HE2 GLN 80 6.603 7.902 -8.619 580 HE22 GLN 80 2HE2 GLN 80 7.357 8.948 -9.770 581 H THR 81 H THR 81 5.900 5.907 -4.507 582 HA THR 81 HA THR 81 7.114 3.480 -5.475 583 HB THR 81 HB THR 81 7.771 3.350 -3.125 584 HG1 THR 81 1HG THR 81 7.214 1.285 -3.035 585 HG21 THR 81 1HG2 THR 81 4.960 4.142 -2.714 586 HG22 THR 81 2HG2 THR 81 6.385 4.463 -1.726 587 HG23 THR 81 3HG2 THR 81 5.571 2.903 -1.619 588 H THR 82 H THR 82 5.625 2.025 -6.252 589 HA THR 82 HA THR 82 2.868 2.997 -6.359 590 HB THR 82 HB THR 82 3.994 0.693 -7.944 591 HG1 THR 82 1HG THR 82 4.320 3.461 -8.287 592 HG21 THR 82 1HG2 THR 82 1.811 2.625 -8.695 593 HG22 THR 82 2HG2 THR 82 1.491 1.150 -7.783 594 HG23 THR 82 3HG2 THR 82 2.176 1.054 -9.405 595 H LEU 83 H LEU 83 1.142 1.873 -5.595 596 HA LEU 83 HA LEU 83 1.712 -0.669 -4.217 597 HB2 LEU 83 1HB LEU 83 -0.547 1.055 -3.348 598 HB3 LEU 83 2HB LEU 83 0.445 -0.061 -2.412 599 HG LEU 83 HG LEU 83 1.184 2.725 -3.298 600 HD11 LEU 83 1HD1 LEU 83 0.663 1.492 -0.599 601 HD12 LEU 83 2HD1 LEU 83 -0.297 2.729 -1.410 602 HD13 LEU 83 3HD1 LEU 83 1.334 3.104 -0.851 603 HD21 LEU 83 1HD2 LEU 83 3.340 2.331 -2.860 604 HD22 LEU 83 2HD2 LEU 83 2.930 0.626 -3.050 605 HD23 LEU 83 3HD2 LEU 83 2.968 1.351 -1.442 606 H LEU 84 H LEU 84 0.090 -2.265 -4.238 607 HA LEU 84 HA LEU 84 -2.078 -1.835 -6.182 608 HB2 LEU 84 1HB LEU 84 -0.258 -3.131 -7.199 609 HB3 LEU 84 2HB LEU 84 -0.385 -4.315 -5.900 610 HG LEU 84 HG LEU 84 -2.749 -4.742 -6.691 611 HD11 LEU 84 1HD1 LEU 84 -3.571 -3.278 -8.153 612 HD12 LEU 84 2HD1 LEU 84 -2.557 -4.069 -9.360 613 HD13 LEU 84 3HD1 LEU 84 -1.973 -2.629 -8.525 614 HD21 LEU 84 1HD2 LEU 84 -2.034 -6.212 -8.486 615 HD22 LEU 84 2HD2 LEU 84 -0.866 -6.246 -7.164 616 HD23 LEU 84 3HD2 LEU 84 -0.514 -5.330 -8.630 617 H VAL 85 H VAL 85 -3.875 -1.847 -4.990 618 HA VAL 85 HA VAL 85 -4.144 -3.864 -2.863 619 HB VAL 85 HB VAL 85 -5.631 -2.475 -1.728 620 HG11 VAL 85 1HG1 VAL 85 -4.550 -0.133 -1.865 621 HG12 VAL 85 2HG1 VAL 85 -3.553 -1.501 -1.367 622 HG13 VAL 85 3HG1 VAL 85 -3.446 -0.884 -3.017 623 HG21 VAL 85 1HG2 VAL 85 -7.118 -1.970 -3.580 624 HG22 VAL 85 2HG2 VAL 85 -6.700 -0.491 -2.715 625 HG23 VAL 85 3HG2 VAL 85 -5.928 -0.858 -4.258 626 H LEU 86 H LEU 86 -6.161 -4.970 -2.633 627 HA LEU 86 HA LEU 86 -7.577 -5.280 -5.194 628 HB2 LEU 86 1HB LEU 86 -6.800 -7.159 -3.035 629 HB3 LEU 86 2HB LEU 86 -8.325 -7.465 -3.865 630 HG LEU 86 HG LEU 86 -6.136 -8.622 -4.672 631 HD11 LEU 86 1HD1 LEU 86 -7.317 -9.150 -6.495 632 HD12 LEU 86 2HD1 LEU 86 -7.447 -7.471 -7.016 633 HD13 LEU 86 3HD1 LEU 86 -8.565 -8.108 -5.810 634 HD21 LEU 86 1HD2 LEU 86 -4.766 -7.449 -6.149 635 HD22 LEU 86 2HD2 LEU 86 -5.001 -6.322 -4.812 636 HD23 LEU 86 3HD2 LEU 86 -5.914 -6.119 -6.308 637 H ASP 87 H ASP 87 -9.833 -5.422 -5.229 638 HA ASP 87 HA ASP 87 -11.135 -4.082 -2.980 639 HB2 ASP 87 1HB ASP 87 -11.341 -3.419 -5.505 640 HB3 ASP 87 2HB ASP 87 -12.515 -4.731 -5.562 641 H LYS 88 H LYS 88 -11.418 -7.001 -4.962 642 HA LYS 88 HA LYS 88 -13.704 -8.034 -3.644 643 HB2 LYS 88 1HB LYS 88 -11.588 -9.654 -5.059 644 HB3 LYS 88 2HB LYS 88 -13.283 -10.066 -4.832 645 HG2 LYS 88 1HG LYS 88 -12.639 -7.579 -6.321 646 HG3 LYS 88 2HG LYS 88 -12.371 -9.130 -7.121 647 HD2 LYS 88 1HD LYS 88 -14.965 -8.629 -5.731 648 HD3 LYS 88 2HD LYS 88 -14.683 -7.911 -7.318 649 HE2 LYS 88 1HE LYS 88 -13.945 -10.331 -7.961 650 HE3 LYS 88 2HE LYS 88 -14.884 -10.790 -6.542 651 HZ1 LYS 88 1HZ LYS 88 -16.733 -10.587 -7.715 652 HZ2 LYS 88 2HZ LYS 88 -15.825 -10.228 -9.097 653 HZ3 LYS 88 3HZ LYS 88 -16.374 -8.978 -8.097 654 H GLU 89 H GLU 89 -10.235 -8.420 -3.138 655 HA GLU 89 HA GLU 89 -10.743 -10.183 -0.857 656 HB2 GLU 89 1HB GLU 89 -8.055 -9.375 -1.961 657 HB3 GLU 89 2HB GLU 89 -8.424 -10.738 -0.913 658 HG2 GLU 89 1HG GLU 89 -9.740 -10.623 -3.570 659 HG3 GLU 89 2HG GLU 89 -8.027 -11.034 -3.501 660 H ALA 90 H ALA 90 -11.256 -7.227 -0.948 661 HA ALA 90 HA ALA 90 -9.299 -6.073 0.829 662 HB1 ALA 90 1HB ALA 90 -10.988 -4.992 -0.978 663 HB2 ALA 90 2HB ALA 90 -11.889 -4.714 0.513 664 HB3 ALA 90 3HB ALA 90 -10.248 -4.090 0.345 665 H GLU 91 H GLU 91 -12.741 -6.960 1.087 666 HA GLU 91 HA GLU 91 -12.393 -7.060 4.012 667 HB2 GLU 91 1HB GLU 91 -13.929 -5.303 3.498 668 HB3 GLU 91 2HB GLU 91 -14.808 -6.319 2.364 669 HG2 GLU 91 1HG GLU 91 -16.218 -6.415 4.140 670 HG3 GLU 91 2HG GLU 91 -15.191 -7.801 4.503 671 H SER 92 H SER 92 -11.935 -9.186 4.316 672 HA SER 92 HA SER 92 -13.647 -11.198 3.060 673 HB2 SER 92 1HB SER 92 -11.106 -11.501 4.679 674 HB3 SER 92 2HB SER 92 -11.990 -12.827 3.924 675 HG SER 92 HG SER 92 -10.519 -12.322 2.427 676 H ILE 93 H ILE 93 -15.339 -11.974 4.113 677 HA ILE 93 HA ILE 93 -15.845 -11.348 6.848 678 HB ILE 93 HB ILE 93 -17.296 -13.281 5.036 679 HG12 ILE 93 1HG1 ILE 93 -17.251 -10.966 4.176 680 HG13 ILE 93 2HG1 ILE 93 -18.871 -11.454 4.663 681 HG21 ILE 93 1HG2 ILE 93 -19.194 -12.697 6.681 682 HG22 ILE 93 2HG2 ILE 93 -17.966 -13.858 7.185 683 HG23 ILE 93 3HG2 ILE 93 -17.894 -12.193 7.761 684 HD11 ILE 93 1HD1 ILE 93 -18.130 -10.314 6.930 685 HD12 ILE 93 2HD1 ILE 93 -17.062 -9.430 5.839 686 HD13 ILE 93 3HD1 ILE 93 -18.808 -9.389 5.590 687 H TYR 94 H TYR 94 -16.162 -12.839 8.581 688 HA TYR 94 HA TYR 94 -14.315 -15.109 8.443 689 HB2 TYR 94 1HB TYR 94 -14.432 -15.053 10.928 690 HB3 TYR 94 2HB TYR 94 -13.852 -13.546 10.229 691 HD1 TYR 94 2HD TYR 94 -15.329 -11.556 10.182 692 HD2 TYR 94 1HD TYR 94 -16.468 -15.138 12.176 693 HE1 TYR 94 2HE TYR 94 -17.061 -10.315 11.410 694 HE2 TYR 94 1HE TYR 94 -18.204 -13.907 13.409 695 HH TYR 94 HH TYR 94 -19.299 -10.917 12.547 696 H SER 95 H SER 95 -16.633 -15.615 7.128 697 HA SER 95 HA SER 95 -18.487 -16.960 8.907 698 HB2 SER 95 1HB SER 95 -19.169 -15.683 6.810 699 HB3 SER 95 2HB SER 95 -18.506 -17.032 5.888 700 HG SER 95 HG SER 95 -20.767 -17.238 6.295 701 H LEU 96 H LEU 96 -18.662 -19.118 9.219 702 HA LEU 96 HA LEU 96 -16.498 -20.775 8.161 703 HB2 LEU 96 1HB LEU 96 -17.293 -20.555 10.661 704 HB3 LEU 96 2HB LEU 96 -18.475 -21.762 10.159 705 HG LEU 96 HG LEU 96 -16.612 -22.856 11.216 706 HD11 LEU 96 1HD1 LEU 96 -16.566 -23.229 8.225 707 HD12 LEU 96 2HD1 LEU 96 -17.644 -24.033 9.366 708 HD13 LEU 96 3HD1 LEU 96 -15.912 -24.362 9.409 709 HD21 LEU 96 1HD2 LEU 96 -14.692 -22.013 9.116 710 HD22 LEU 96 2HD2 LEU 96 -14.409 -22.462 10.798 711 HD23 LEU 96 3HD2 LEU 96 -15.055 -20.868 10.407 712 H SER 97 H SER 97 -17.123 -21.366 6.127 713 HA SER 97 HA SER 97 -19.726 -22.106 5.365 714 HB2 SER 97 1HB SER 97 -18.767 -22.830 3.307 715 HB3 SER 97 2HB SER 97 -17.797 -21.457 3.840 716 HG SER 97 HG SER 97 -16.339 -23.062 4.754 717 H GLY 98 H GLY 98 -20.799 -24.019 5.332 718 HA2 GLY 98 1HA GLY 98 -20.812 -26.437 5.304 719 HA3 GLY 98 2HA GLY 98 -19.359 -26.407 6.291 720 HA PRO 99 HA PRO 99 -23.510 -26.117 8.806 721 HB2 PRO 99 1HB PRO 99 -24.663 -28.560 8.536 722 HB3 PRO 99 2HB PRO 99 -25.069 -27.186 7.501 723 HG2 PRO 99 1HG PRO 99 -23.232 -29.487 6.960 724 HG3 PRO 99 2HG PRO 99 -24.426 -28.733 5.888 725 HD2 PRO 99 1HD PRO 99 -21.778 -28.194 5.726 726 HD3 PRO 99 2HD PRO 99 -23.023 -26.987 5.345 727 H SER 100 H SER 100 -24.236 -27.976 10.509 728 HA SER 100 HA SER 100 -21.736 -29.150 11.538 729 HB2 SER 100 1HB SER 100 -22.616 -28.736 13.820 730 HB3 SER 100 2HB SER 100 -22.391 -27.243 12.909 731 HG SER 100 HG SER 100 -24.386 -27.071 13.784 732 H SER 101 H SER 101 -21.783 -31.287 11.593 733 HA SER 101 HA SER 101 -24.193 -32.674 12.455 734 HB2 SER 101 1HB SER 101 -24.224 -34.188 10.549 735 HB3 SER 101 2HB SER 101 -24.379 -32.526 9.981 736 HG SER 101 HG SER 101 -21.958 -34.009 10.049 737 H GLY 102 H GLY 102 -23.652 -35.184 12.377 738 HA2 GLY 102 1HA GLY 102 -21.907 -36.834 12.650 739 HA3 GLY 102 2HA GLY 102 -20.867 -35.560 13.269 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -17.019 -6.667 -24.139 2 HA2 GLY 1 1HA GLY 1 -14.449 -7.426 -24.836 3 HA3 GLY 1 2HA GLY 1 -15.179 -5.888 -25.272 4 H SER 2 H SER 2 -13.463 -7.538 -22.642 5 HA SER 2 HA SER 2 -11.960 -6.796 -21.105 6 HB2 SER 2 1HB SER 2 -10.904 -5.975 -23.309 7 HB3 SER 2 2HB SER 2 -11.490 -4.379 -22.842 8 HG SER 2 HG SER 2 -10.025 -5.896 -20.993 9 H SER 3 H SER 3 -14.549 -6.210 -20.495 10 HA SER 3 HA SER 3 -14.538 -3.432 -19.545 11 HB2 SER 3 1HB SER 3 -16.815 -5.424 -19.680 12 HB3 SER 3 2HB SER 3 -16.950 -3.745 -19.159 13 HG SER 3 HG SER 3 -15.922 -4.440 -21.697 14 H GLY 4 H GLY 4 -13.438 -3.377 -17.660 15 HA2 GLY 4 1HA GLY 4 -13.971 -3.562 -15.243 16 HA3 GLY 4 2HA GLY 4 -14.311 -5.258 -15.554 17 H SER 5 H SER 5 -12.463 -4.233 -13.630 18 HA SER 5 HA SER 5 -10.119 -5.718 -14.461 19 HB2 SER 5 1HB SER 5 -9.788 -3.282 -15.172 20 HB3 SER 5 2HB SER 5 -9.719 -2.902 -13.451 21 HG SER 5 HG SER 5 -7.761 -3.645 -13.404 22 H SER 6 H SER 6 -8.533 -5.913 -12.625 23 HA SER 6 HA SER 6 -9.894 -5.740 -10.020 24 HB2 SER 6 1HB SER 6 -9.884 -8.077 -10.987 25 HB3 SER 6 2HB SER 6 -8.125 -8.044 -10.858 26 HG SER 6 HG SER 6 -8.793 -8.936 -8.985 27 H GLY 7 H GLY 7 -8.631 -5.220 -8.263 28 HA2 GLY 7 1HA GLY 7 -6.835 -4.372 -7.112 29 HA3 GLY 7 2HA GLY 7 -5.810 -5.267 -8.224 30 H ARG 8 H ARG 8 -6.809 -2.214 -7.218 31 HA ARG 8 HA ARG 8 -6.179 -0.856 -9.699 32 HB2 ARG 8 1HB ARG 8 -6.697 1.191 -8.481 33 HB3 ARG 8 2HB ARG 8 -7.968 -0.001 -8.246 34 HG2 ARG 8 1HG ARG 8 -7.181 -0.504 -6.044 35 HG3 ARG 8 2HG ARG 8 -5.748 0.500 -6.278 36 HD2 ARG 8 1HD ARG 8 -7.165 1.861 -5.031 37 HD3 ARG 8 2HD ARG 8 -7.418 2.414 -6.685 38 HE ARG 8 HE ARG 8 -9.320 1.041 -4.993 39 HH11 ARG 8 2HH1 ARG 8 -8.463 2.010 -8.225 40 HH12 ARG 8 1HH1 ARG 8 -10.083 1.895 -8.829 41 HH21 ARG 8 2HH2 ARG 8 -11.456 0.885 -5.776 42 HH22 ARG 8 1HH2 ARG 8 -11.785 1.256 -7.435 43 H VAL 9 H VAL 9 -4.636 1.055 -9.560 44 HA VAL 9 HA VAL 9 -2.209 0.225 -8.105 45 HB VAL 9 HB VAL 9 -2.408 1.673 -10.750 46 HG11 VAL 9 1HG1 VAL 9 0.100 0.694 -9.411 47 HG12 VAL 9 2HG1 VAL 9 -0.051 1.753 -10.815 48 HG13 VAL 9 3HG1 VAL 9 -0.503 2.339 -9.213 49 HG21 VAL 9 1HG2 VAL 9 -2.660 -0.422 -11.512 50 HG22 VAL 9 2HG2 VAL 9 -0.938 -0.586 -11.168 51 HG23 VAL 9 3HG2 VAL 9 -2.129 -1.143 -9.993 52 H VAL 10 H VAL 10 -1.342 1.626 -6.714 53 HA VAL 10 HA VAL 10 -2.322 4.406 -6.758 54 HB VAL 10 HB VAL 10 -1.267 2.962 -4.330 55 HG11 VAL 10 1HG1 VAL 10 -2.522 4.781 -3.158 56 HG12 VAL 10 2HG1 VAL 10 -1.146 5.338 -4.111 57 HG13 VAL 10 3HG1 VAL 10 -2.786 5.533 -4.730 58 HG21 VAL 10 1HG2 VAL 10 -3.531 2.194 -5.578 59 HG22 VAL 10 2HG2 VAL 10 -3.297 2.111 -3.832 60 HG23 VAL 10 3HG2 VAL 10 -4.161 3.475 -4.541 61 H VAL 11 H VAL 11 -0.849 6.073 -6.178 62 HA VAL 11 HA VAL 11 1.993 5.352 -6.172 63 HB VAL 11 HB VAL 11 0.788 7.429 -8.007 64 HG11 VAL 11 1HG1 VAL 11 2.890 8.140 -8.567 65 HG12 VAL 11 2HG1 VAL 11 3.142 7.748 -6.865 66 HG13 VAL 11 3HG1 VAL 11 3.647 6.613 -8.117 67 HG21 VAL 11 1HG2 VAL 11 0.949 4.716 -8.399 68 HG22 VAL 11 2HG2 VAL 11 0.843 5.934 -9.671 69 HG23 VAL 11 3HG2 VAL 11 2.417 5.311 -9.175 70 H ILE 12 H ILE 12 2.999 6.340 -4.559 71 HA ILE 12 HA ILE 12 2.069 8.998 -3.714 72 HB ILE 12 HB ILE 12 2.952 6.889 -1.752 73 HG12 ILE 12 1HG1 ILE 12 0.095 7.728 -1.996 74 HG13 ILE 12 2HG1 ILE 12 0.716 6.529 -3.125 75 HG21 ILE 12 1HG2 ILE 12 1.996 9.692 -1.591 76 HG22 ILE 12 2HG2 ILE 12 1.499 8.581 -0.315 77 HG23 ILE 12 3HG2 ILE 12 3.213 8.851 -0.630 78 HD11 ILE 12 1HD1 ILE 12 -0.203 6.149 -0.488 79 HD12 ILE 12 2HD1 ILE 12 0.445 4.950 -1.608 80 HD13 ILE 12 3HD1 ILE 12 1.526 5.799 -0.502 81 H LYS 13 H LYS 13 3.674 10.249 -2.546 82 HA LYS 13 HA LYS 13 6.442 9.346 -2.899 83 HB2 LYS 13 1HB LYS 13 5.820 12.192 -3.531 84 HB3 LYS 13 2HB LYS 13 7.112 11.165 -4.140 85 HG2 LYS 13 1HG LYS 13 5.694 10.115 -5.688 86 HG3 LYS 13 2HG LYS 13 4.241 10.731 -4.898 87 HD2 LYS 13 1HD LYS 13 4.509 12.855 -5.768 88 HD3 LYS 13 2HD LYS 13 6.247 12.651 -6.003 89 HE2 LYS 13 1HE LYS 13 5.721 10.983 -7.793 90 HE3 LYS 13 2HE LYS 13 4.022 11.424 -7.625 91 HZ1 LYS 13 1HZ LYS 13 4.390 13.079 -9.026 92 HZ2 LYS 13 2HZ LYS 13 6.043 12.728 -9.093 93 HZ3 LYS 13 3HZ LYS 13 5.450 13.787 -7.915 94 H LYS 14 H LYS 14 7.231 9.321 -0.901 95 HA LYS 14 HA LYS 14 6.286 10.537 1.352 96 HB2 LYS 14 1HB LYS 14 8.310 8.883 0.926 97 HB3 LYS 14 2HB LYS 14 9.250 10.365 1.038 98 HG2 LYS 14 1HG LYS 14 8.818 10.639 3.257 99 HG3 LYS 14 2HG LYS 14 7.256 9.822 3.168 100 HD2 LYS 14 1HD LYS 14 8.459 8.222 4.268 101 HD3 LYS 14 2HD LYS 14 8.786 7.738 2.602 102 HE2 LYS 14 1HE LYS 14 10.907 8.870 2.636 103 HE3 LYS 14 2HE LYS 14 10.564 9.552 4.226 104 HZ1 LYS 14 1HZ LYS 14 11.500 6.909 3.512 105 HZ2 LYS 14 2HZ LYS 14 10.292 6.933 4.696 106 HZ3 LYS 14 3HZ LYS 14 11.729 7.792 4.938 107 H GLY 15 H GLY 15 6.522 12.476 2.396 108 HA2 GLY 15 1HA GLY 15 7.856 14.610 0.845 109 HA3 GLY 15 2HA GLY 15 6.379 14.857 1.765 110 H SER 16 H SER 16 6.590 15.722 3.716 111 HA SER 16 HA SER 16 9.247 16.058 4.828 112 HB2 SER 16 1HB SER 16 7.329 17.830 4.711 113 HB3 SER 16 2HB SER 16 6.738 17.024 6.164 114 HG SER 16 HG SER 16 9.116 18.466 5.765 115 H ASN 17 H ASN 17 6.136 15.153 6.320 116 HA ASN 17 HA ASN 17 7.368 13.853 8.517 117 HB2 ASN 17 1HB ASN 17 4.537 13.732 7.460 118 HB3 ASN 17 2HB ASN 17 5.054 12.999 8.976 119 HD21 ASN 17 1HD2 ASN 17 3.131 15.162 8.387 120 HD22 ASN 17 2HD2 ASN 17 3.644 16.502 9.349 121 H GLY 18 H GLY 18 5.593 12.555 5.705 122 HA2 GLY 18 1HA GLY 18 7.321 10.472 5.132 123 HA3 GLY 18 2HA GLY 18 6.192 9.841 6.321 124 H TYR 19 H TYR 19 4.901 8.514 5.201 125 HA TYR 19 HA TYR 19 3.936 9.298 2.568 126 HB2 TYR 19 1HB TYR 19 3.753 6.747 4.164 127 HB3 TYR 19 2HB TYR 19 2.861 6.981 2.664 128 HD1 TYR 19 2HD TYR 19 4.099 7.284 0.529 129 HD2 TYR 19 1HD TYR 19 6.088 6.274 4.152 130 HE1 TYR 19 2HE TYR 19 6.068 6.567 -0.759 131 HE2 TYR 19 1HE TYR 19 8.063 5.556 2.874 132 HH TYR 19 HH TYR 19 8.946 5.256 0.862 133 H GLY 20 H GLY 20 2.453 8.047 5.569 134 HA2 GLY 20 1HA GLY 20 0.663 9.493 6.533 135 HA3 GLY 20 2HA GLY 20 0.051 9.631 4.892 136 H PHE 21 H PHE 21 1.031 6.610 4.840 137 HA PHE 21 HA PHE 21 -1.479 5.558 5.972 138 HB2 PHE 21 1HB PHE 21 -1.671 4.035 4.172 139 HB3 PHE 21 2HB PHE 21 -1.243 5.573 3.429 140 HD1 PHE 21 1HD PHE 21 1.074 5.950 2.631 141 HD2 PHE 21 2HD PHE 21 -0.259 2.148 4.004 142 HE1 PHE 21 1HE PHE 21 2.994 4.881 1.523 143 HE2 PHE 21 2HE PHE 21 1.659 1.073 2.899 144 HZ PHE 21 HZ PHE 21 3.289 2.440 1.657 145 H TYR 22 H TYR 22 -1.426 3.593 7.051 146 HA TYR 22 HA TYR 22 1.268 2.680 7.812 147 HB2 TYR 22 1HB TYR 22 -1.341 2.508 9.333 148 HB3 TYR 22 2HB TYR 22 0.185 1.822 9.880 149 HD1 TYR 22 1HD TYR 22 -1.425 5.042 8.941 150 HD2 TYR 22 2HD TYR 22 1.685 3.120 11.116 151 HE1 TYR 22 1HE TYR 22 -0.849 7.186 10.000 152 HE2 TYR 22 2HE TYR 22 2.268 5.258 12.183 153 HH TYR 22 HH TYR 22 0.460 7.724 12.471 154 H LEU 23 H LEU 23 1.263 0.320 8.571 155 HA LEU 23 HA LEU 23 -0.403 -1.309 6.770 156 HB2 LEU 23 1HB LEU 23 2.539 -1.565 7.349 157 HB3 LEU 23 2HB LEU 23 1.589 -2.838 6.588 158 HG LEU 23 HG LEU 23 2.071 -0.080 5.461 159 HD11 LEU 23 1HD1 LEU 23 3.200 -1.648 3.682 160 HD12 LEU 23 2HD1 LEU 23 3.374 -2.727 5.066 161 HD13 LEU 23 3HD1 LEU 23 4.083 -1.113 5.112 162 HD21 LEU 23 1HD2 LEU 23 1.160 -1.774 3.465 163 HD22 LEU 23 2HD2 LEU 23 0.250 -0.481 4.247 164 HD23 LEU 23 3HD2 LEU 23 0.126 -2.135 4.848 165 H ARG 24 H ARG 24 -1.075 -3.303 7.535 166 HA ARG 24 HA ARG 24 -0.359 -3.978 10.303 167 HB2 ARG 24 1HB ARG 24 -2.489 -2.819 10.417 168 HB3 ARG 24 2HB ARG 24 -3.155 -3.855 9.162 169 HG2 ARG 24 1HG ARG 24 -4.024 -4.911 10.960 170 HG3 ARG 24 2HG ARG 24 -2.466 -5.739 10.910 171 HD2 ARG 24 1HD ARG 24 -1.782 -3.639 12.412 172 HD3 ARG 24 2HD ARG 24 -3.495 -3.723 12.820 173 HE ARG 24 HE ARG 24 -2.243 -6.273 13.007 174 HH11 ARG 24 2HH1 ARG 24 -2.646 -3.236 14.660 175 HH12 ARG 24 1HH1 ARG 24 -2.390 -3.910 16.235 176 HH21 ARG 24 2HH2 ARG 24 -1.904 -7.173 15.075 177 HH22 ARG 24 1HH2 ARG 24 -1.967 -6.149 16.470 178 H ALA 25 H ALA 25 -0.378 -6.165 10.808 179 HA ALA 25 HA ALA 25 0.032 -7.940 8.601 180 HB1 ALA 25 1HB ALA 25 1.402 -8.236 10.528 181 HB2 ALA 25 2HB ALA 25 -0.008 -8.394 11.578 182 HB3 ALA 25 3HB ALA 25 0.358 -9.653 10.398 183 H GLY 26 H GLY 26 -1.817 -8.316 7.455 184 HA2 GLY 26 1HA GLY 26 -4.369 -8.736 8.603 185 HA3 GLY 26 2HA GLY 26 -3.901 -9.144 6.959 186 HA PRO 27 HA PRO 27 -4.537 -12.973 9.697 187 HB2 PRO 27 1HB PRO 27 -6.881 -13.820 8.619 188 HB3 PRO 27 2HB PRO 27 -6.801 -12.734 10.011 189 HG2 PRO 27 1HG PRO 27 -7.265 -12.083 7.126 190 HG3 PRO 27 2HG PRO 27 -8.082 -11.442 8.563 191 HD2 PRO 27 1HD PRO 27 -6.131 -10.082 7.269 192 HD3 PRO 27 2HD PRO 27 -6.382 -9.955 9.022 193 H GLU 28 H GLU 28 -5.560 -15.179 8.469 194 HA GLU 28 HA GLU 28 -3.629 -16.290 7.009 195 HB2 GLU 28 1HB GLU 28 -5.466 -17.589 5.765 196 HB3 GLU 28 2HB GLU 28 -5.435 -17.687 7.520 197 HG2 GLU 28 1HG GLU 28 -7.647 -17.320 7.221 198 HG3 GLU 28 2HG GLU 28 -7.099 -15.646 7.304 199 H GLN 29 H GLN 29 -5.952 -13.976 5.780 200 HA GLN 29 HA GLN 29 -5.494 -14.273 3.038 201 HB2 GLN 29 1HB GLN 29 -6.425 -12.045 2.794 202 HB3 GLN 29 2HB GLN 29 -7.341 -12.947 3.994 203 HG2 GLN 29 1HG GLN 29 -5.841 -11.790 5.720 204 HG3 GLN 29 2HG GLN 29 -5.418 -10.692 4.408 205 HE21 GLN 29 1HE2 GLN 29 -8.451 -12.235 5.409 206 HE22 GLN 29 2HE2 GLN 29 -9.354 -10.769 5.541 207 H LYS 30 H LYS 30 -3.962 -13.552 1.662 208 HA LYS 30 HA LYS 30 -1.490 -12.586 2.798 209 HB2 LYS 30 1HB LYS 30 -2.021 -12.897 -0.143 210 HB3 LYS 30 2HB LYS 30 -0.502 -13.073 0.725 211 HG2 LYS 30 1HG LYS 30 -2.841 -14.955 0.954 212 HG3 LYS 30 2HG LYS 30 -1.423 -15.216 -0.065 213 HD2 LYS 30 1HD LYS 30 -0.060 -15.665 1.712 214 HD3 LYS 30 2HD LYS 30 -0.972 -14.630 2.813 215 HE2 LYS 30 1HE LYS 30 -1.588 -16.666 3.628 216 HE3 LYS 30 2HE LYS 30 -2.837 -16.464 2.400 217 HZ1 LYS 30 1HZ LYS 30 -1.782 -18.667 2.349 218 HZ2 LYS 30 2HZ LYS 30 -0.296 -17.943 1.991 219 HZ3 LYS 30 3HZ LYS 30 -1.579 -17.825 0.895 220 H GLY 31 H GLY 31 -0.616 -10.583 2.612 221 HA2 GLY 31 1HA GLY 31 -0.498 -8.522 1.213 222 HA3 GLY 31 2HA GLY 31 -2.255 -8.561 1.210 223 H GLN 32 H GLN 32 -0.597 -6.392 2.081 224 HA GLN 32 HA GLN 32 -0.892 -6.403 4.989 225 HB2 GLN 32 1HB GLN 32 0.397 -4.390 3.138 226 HB3 GLN 32 2HB GLN 32 0.355 -4.262 4.891 227 HG2 GLN 32 1HG GLN 32 1.741 -6.380 3.265 228 HG3 GLN 32 2HG GLN 32 2.497 -5.089 4.198 229 HE21 GLN 32 1HE2 GLN 32 1.932 -5.093 6.558 230 HE22 GLN 32 2HE2 GLN 32 1.872 -6.628 7.347 231 H ILE 33 H ILE 33 -2.208 -5.001 6.104 232 HA ILE 33 HA ILE 33 -4.356 -3.794 4.528 233 HB ILE 33 HB ILE 33 -4.209 -4.186 7.519 234 HG12 ILE 33 1HG1 ILE 33 -5.788 -5.834 5.545 235 HG13 ILE 33 2HG1 ILE 33 -4.177 -6.294 6.084 236 HG21 ILE 33 1HG2 ILE 33 -6.203 -3.025 5.674 237 HG22 ILE 33 2HG2 ILE 33 -6.823 -4.063 6.958 238 HG23 ILE 33 3HG2 ILE 33 -5.857 -2.643 7.361 239 HD11 ILE 33 1HD1 ILE 33 -6.740 -6.248 7.591 240 HD12 ILE 33 2HD1 ILE 33 -5.495 -7.495 7.515 241 HD13 ILE 33 3HD1 ILE 33 -5.222 -6.032 8.461 242 H ILE 34 H ILE 34 -4.920 -1.647 4.654 243 HA ILE 34 HA ILE 34 -2.892 0.115 5.846 244 HB ILE 34 HB ILE 34 -4.879 0.626 3.633 245 HG12 ILE 34 1HG1 ILE 34 -1.858 0.475 3.688 246 HG13 ILE 34 2HG1 ILE 34 -2.951 -0.679 2.930 247 HG21 ILE 34 1HG2 ILE 34 -3.348 2.471 5.335 248 HG22 ILE 34 2HG2 ILE 34 -3.246 2.779 3.603 249 HG23 ILE 34 3HG2 ILE 34 -4.818 2.742 4.399 250 HD11 ILE 34 1HD1 ILE 34 -1.791 1.675 1.839 251 HD12 ILE 34 2HD1 ILE 34 -2.808 0.468 1.051 252 HD13 ILE 34 3HD1 ILE 34 -3.545 1.856 1.853 253 H LYS 35 H LYS 35 -3.422 1.670 7.301 254 HA LYS 35 HA LYS 35 -6.139 2.449 7.801 255 HB2 LYS 35 1HB LYS 35 -6.431 1.553 9.966 256 HB3 LYS 35 2HB LYS 35 -5.857 0.212 8.984 257 HG2 LYS 35 1HG LYS 35 -3.519 0.881 9.857 258 HG3 LYS 35 2HG LYS 35 -4.418 1.752 11.102 259 HD2 LYS 35 1HD LYS 35 -5.263 -0.179 12.031 260 HD3 LYS 35 2HD LYS 35 -5.114 -1.092 10.528 261 HE2 LYS 35 1HE LYS 35 -3.446 -1.961 11.932 262 HE3 LYS 35 2HE LYS 35 -2.595 -0.872 10.837 263 HZ1 LYS 35 1HZ LYS 35 -3.121 -0.590 13.701 264 HZ2 LYS 35 2HZ LYS 35 -3.076 0.819 12.768 265 HZ3 LYS 35 3HZ LYS 35 -1.731 -0.207 12.816 266 H ASP 36 H ASP 36 -6.281 4.053 9.578 267 HA ASP 36 HA ASP 36 -5.576 5.924 10.668 268 HB2 ASP 36 1HB ASP 36 -3.954 4.313 11.725 269 HB3 ASP 36 2HB ASP 36 -2.785 4.779 10.493 270 H ILE 37 H ILE 37 -5.903 6.033 7.914 271 HA ILE 37 HA ILE 37 -3.708 7.203 6.561 272 HB ILE 37 HB ILE 37 -6.670 7.341 6.003 273 HG12 ILE 37 1HG1 ILE 37 -4.457 5.778 4.656 274 HG13 ILE 37 2HG1 ILE 37 -5.585 5.110 5.831 275 HG21 ILE 37 1HG2 ILE 37 -4.545 8.915 4.911 276 HG22 ILE 37 2HG2 ILE 37 -5.201 7.858 3.662 277 HG23 ILE 37 3HG2 ILE 37 -6.268 8.957 4.537 278 HD11 ILE 37 1HD1 ILE 37 -6.514 6.391 3.286 279 HD12 ILE 37 2HD1 ILE 37 -6.069 4.686 3.380 280 HD13 ILE 37 3HD1 ILE 37 -7.396 5.307 4.362 281 H GLU 38 H GLU 38 -3.019 9.263 6.408 282 HA GLU 38 HA GLU 38 -4.247 11.216 8.193 283 HB2 GLU 38 1HB GLU 38 -1.631 11.238 6.680 284 HB3 GLU 38 2HB GLU 38 -2.189 12.553 7.705 285 HG2 GLU 38 1HG GLU 38 -2.354 10.727 9.533 286 HG3 GLU 38 2HG GLU 38 -1.280 9.817 8.473 287 HA PRO 39 HA PRO 39 -6.242 13.438 4.959 288 HB2 PRO 39 1HB PRO 39 -6.426 15.867 6.160 289 HB3 PRO 39 2HB PRO 39 -7.432 14.488 6.621 290 HG2 PRO 39 1HG PRO 39 -4.946 15.538 7.918 291 HG3 PRO 39 2HG PRO 39 -6.450 14.979 8.672 292 HD2 PRO 39 1HD PRO 39 -4.230 13.435 8.530 293 HD3 PRO 39 2HD PRO 39 -5.870 12.757 8.476 294 H GLY 40 H GLY 40 -5.802 14.870 3.294 295 HA2 GLY 40 1HA GLY 40 -4.443 15.987 1.814 296 HA3 GLY 40 2HA GLY 40 -3.943 16.909 3.224 297 H SER 41 H SER 41 -3.328 13.558 3.403 298 HA SER 41 HA SER 41 -0.470 14.068 3.205 299 HB2 SER 41 1HB SER 41 -0.148 12.070 4.389 300 HB3 SER 41 2HB SER 41 -1.650 12.699 5.064 301 HG SER 41 HG SER 41 -2.773 11.291 3.641 302 HA PRO 42 HA PRO 42 0.487 12.467 -0.750 303 HB2 PRO 42 1HB PRO 42 2.181 10.445 0.644 304 HB3 PRO 42 2HB PRO 42 2.601 11.554 -0.668 305 HG2 PRO 42 1HG PRO 42 3.370 12.021 1.857 306 HG3 PRO 42 2HG PRO 42 2.915 13.340 0.762 307 HD2 PRO 42 1HD PRO 42 1.453 12.200 3.062 308 HD3 PRO 42 2HD PRO 42 1.418 13.843 2.391 309 H ALA 43 H ALA 43 -0.535 10.294 1.782 310 HA ALA 43 HA ALA 43 -1.055 8.085 0.001 311 HB1 ALA 43 1HB ALA 43 -0.744 8.382 2.760 312 HB2 ALA 43 2HB ALA 43 -2.417 7.876 2.527 313 HB3 ALA 43 3HB ALA 43 -1.102 6.898 1.877 314 H GLU 44 H GLU 44 -3.015 10.437 1.808 315 HA GLU 44 HA GLU 44 -5.506 9.477 0.835 316 HB2 GLU 44 1HB GLU 44 -5.257 10.798 2.919 317 HB3 GLU 44 2HB GLU 44 -4.836 12.204 1.952 318 HG2 GLU 44 1HG GLU 44 -7.096 12.468 2.509 319 HG3 GLU 44 2HG GLU 44 -7.080 11.944 0.826 320 H ALA 45 H ALA 45 -3.182 11.820 -0.310 321 HA ALA 45 HA ALA 45 -4.917 12.998 -2.264 322 HB1 ALA 45 1HB ALA 45 -3.043 14.247 -1.328 323 HB2 ALA 45 2HB ALA 45 -1.911 13.093 -2.034 324 HB3 ALA 45 3HB ALA 45 -2.901 14.110 -3.081 325 H ALA 46 H ALA 46 -2.849 10.227 -2.136 326 HA ALA 46 HA ALA 46 -2.523 9.915 -4.961 327 HB1 ALA 46 1HB ALA 46 -1.069 8.952 -3.070 328 HB2 ALA 46 2HB ALA 46 -2.283 7.675 -2.986 329 HB3 ALA 46 3HB ALA 46 -1.386 7.942 -4.481 330 H GLY 47 H GLY 47 -4.892 8.910 -2.599 331 HA2 GLY 47 1HA GLY 47 -7.150 8.514 -3.490 332 HA3 GLY 47 2HA GLY 47 -6.391 7.583 -4.774 333 H LEU 48 H LEU 48 -4.913 7.114 -1.767 334 HA LEU 48 HA LEU 48 -5.392 4.390 -1.649 335 HB2 LEU 48 1HB LEU 48 -4.465 6.439 0.285 336 HB3 LEU 48 2HB LEU 48 -4.946 4.872 0.932 337 HG LEU 48 HG LEU 48 -2.702 5.482 -0.977 338 HD11 LEU 48 1HD1 LEU 48 -1.288 4.906 0.719 339 HD12 LEU 48 2HD1 LEU 48 -2.464 3.841 1.490 340 HD13 LEU 48 3HD1 LEU 48 -2.617 5.590 1.655 341 HD21 LEU 48 1HD2 LEU 48 -2.353 2.935 -0.788 342 HD22 LEU 48 2HD2 LEU 48 -3.556 3.541 -1.927 343 HD23 LEU 48 3HD2 LEU 48 -4.066 2.886 -0.371 344 H LYS 49 H LYS 49 -6.371 3.462 0.579 345 HA LYS 49 HA LYS 49 -8.861 4.692 1.342 346 HB2 LYS 49 1HB LYS 49 -8.793 2.245 -0.407 347 HB3 LYS 49 2HB LYS 49 -10.141 2.554 0.679 348 HG2 LYS 49 1HG LYS 49 -10.112 4.905 -0.520 349 HG3 LYS 49 2HG LYS 49 -9.333 3.972 -1.800 350 HD2 LYS 49 1HD LYS 49 -11.225 2.385 -1.748 351 HD3 LYS 49 2HD LYS 49 -12.011 3.395 -0.533 352 HE2 LYS 49 1HE LYS 49 -11.731 5.289 -2.269 353 HE3 LYS 49 2HE LYS 49 -11.478 3.981 -3.423 354 HZ1 LYS 49 1HZ LYS 49 -13.790 4.661 -3.361 355 HZ2 LYS 49 2HZ LYS 49 -13.875 4.334 -1.704 356 HZ3 LYS 49 3HZ LYS 49 -13.632 3.071 -2.803 357 H ASN 50 H ASN 50 -9.497 4.045 3.333 358 HA ASN 50 HA ASN 50 -7.760 2.676 5.011 359 HB2 ASN 50 1HB ASN 50 -10.745 3.067 5.325 360 HB3 ASN 50 2HB ASN 50 -9.642 2.598 6.615 361 HD21 ASN 50 1HD2 ASN 50 -7.905 4.111 7.131 362 HD22 ASN 50 2HD2 ASN 50 -8.210 5.805 6.978 363 H ASN 51 H ASN 51 -7.818 0.612 5.964 364 HA ASN 51 HA ASN 51 -7.938 -1.660 5.917 365 HB2 ASN 51 1HB ASN 51 -10.731 -0.854 5.150 366 HB3 ASN 51 2HB ASN 51 -10.276 -2.555 5.220 367 HD21 ASN 51 1HD2 ASN 51 -12.126 -0.888 6.848 368 HD22 ASN 51 2HD2 ASN 51 -11.632 -1.144 8.484 369 H ASP 52 H ASP 52 -6.699 -0.527 3.704 370 HA ASP 52 HA ASP 52 -7.694 -1.956 1.364 371 HB2 ASP 52 1HB ASP 52 -5.759 0.252 1.836 372 HB3 ASP 52 2HB ASP 52 -5.468 -0.787 0.444 373 H LEU 53 H LEU 53 -6.924 -3.858 0.727 374 HA LEU 53 HA LEU 53 -4.623 -4.978 2.135 375 HB2 LEU 53 1HB LEU 53 -6.862 -6.169 1.869 376 HB3 LEU 53 2HB LEU 53 -6.403 -6.410 0.184 377 HG LEU 53 HG LEU 53 -4.309 -7.558 1.118 378 HD11 LEU 53 1HD1 LEU 53 -4.916 -8.659 3.377 379 HD12 LEU 53 2HD1 LEU 53 -5.985 -7.272 3.578 380 HD13 LEU 53 3HD1 LEU 53 -4.252 -7.026 3.370 381 HD21 LEU 53 1HD2 LEU 53 -6.192 -8.704 0.010 382 HD22 LEU 53 2HD2 LEU 53 -6.994 -8.856 1.574 383 HD23 LEU 53 3HD2 LEU 53 -5.459 -9.677 1.285 384 H VAL 54 H VAL 54 -2.686 -4.790 1.243 385 HA VAL 54 HA VAL 54 -2.448 -4.413 -1.646 386 HB VAL 54 HB VAL 54 -0.433 -4.091 0.578 387 HG11 VAL 54 1HG1 VAL 54 -0.125 -4.043 -2.391 388 HG12 VAL 54 2HG1 VAL 54 0.869 -2.981 -1.393 389 HG13 VAL 54 3HG1 VAL 54 0.938 -4.728 -1.162 390 HG21 VAL 54 1HG2 VAL 54 -0.851 -1.871 0.527 391 HG22 VAL 54 2HG2 VAL 54 -1.164 -1.859 -1.209 392 HG23 VAL 54 3HG2 VAL 54 -2.416 -2.401 -0.091 393 H VAL 55 H VAL 55 -2.029 -6.087 -2.913 394 HA VAL 55 HA VAL 55 -0.908 -8.527 -1.751 395 HB VAL 55 HB VAL 55 -1.519 -9.547 -3.968 396 HG11 VAL 55 1HG1 VAL 55 -2.970 -9.888 -2.106 397 HG12 VAL 55 2HG1 VAL 55 -3.667 -8.276 -2.279 398 HG13 VAL 55 3HG1 VAL 55 -3.978 -9.509 -3.502 399 HG21 VAL 55 1HG2 VAL 55 -2.735 -8.393 -5.573 400 HG22 VAL 55 2HG2 VAL 55 -3.196 -7.113 -4.450 401 HG23 VAL 55 3HG2 VAL 55 -1.543 -7.198 -5.060 402 H ALA 56 H ALA 56 -0.220 -6.042 -4.119 403 HA ALA 56 HA ALA 56 2.493 -7.135 -4.393 404 HB1 ALA 56 1HB ALA 56 1.534 -5.822 -6.814 405 HB2 ALA 56 2HB ALA 56 2.400 -7.347 -6.616 406 HB3 ALA 56 3HB ALA 56 0.648 -7.295 -6.418 407 H VAL 57 H VAL 57 4.128 -5.599 -4.768 408 HA VAL 57 HA VAL 57 3.343 -2.776 -4.591 409 HB VAL 57 HB VAL 57 5.381 -4.122 -2.814 410 HG11 VAL 57 1HG1 VAL 57 6.417 -2.176 -2.555 411 HG12 VAL 57 2HG1 VAL 57 5.409 -1.500 -3.837 412 HG13 VAL 57 3HG1 VAL 57 4.895 -1.381 -2.153 413 HG21 VAL 57 1HG2 VAL 57 2.994 -4.342 -2.155 414 HG22 VAL 57 2HG2 VAL 57 3.971 -3.449 -0.989 415 HG23 VAL 57 3HG2 VAL 57 2.894 -2.582 -2.084 416 H ASN 58 H ASN 58 4.348 -1.590 -6.070 417 HA ASN 58 HA ASN 58 5.803 -0.924 -7.686 418 HB2 ASN 58 1HB ASN 58 7.550 -2.145 -5.611 419 HB3 ASN 58 2HB ASN 58 8.275 -1.823 -7.184 420 HD21 ASN 58 1HD2 ASN 58 9.018 -0.579 -4.772 421 HD22 ASN 58 2HD2 ASN 58 8.663 1.106 -4.908 422 H GLY 59 H GLY 59 4.347 -3.406 -8.045 423 HA2 GLY 59 1HA GLY 59 4.208 -4.946 -9.760 424 HA3 GLY 59 2HA GLY 59 5.769 -4.380 -10.337 425 H LYS 60 H LYS 60 5.515 -5.369 -7.043 426 HA LYS 60 HA LYS 60 6.804 -7.933 -7.712 427 HB2 LYS 60 1HB LYS 60 7.459 -6.142 -5.366 428 HB3 LYS 60 2HB LYS 60 8.213 -7.689 -5.727 429 HG2 LYS 60 1HG LYS 60 8.305 -5.590 -7.820 430 HG3 LYS 60 2HG LYS 60 9.327 -5.386 -6.395 431 HD2 LYS 60 1HD LYS 60 10.760 -6.593 -7.691 432 HD3 LYS 60 2HD LYS 60 9.900 -7.928 -6.921 433 HE2 LYS 60 1HE LYS 60 9.735 -8.591 -9.094 434 HE3 LYS 60 2HE LYS 60 8.286 -7.593 -8.995 435 HZ1 LYS 60 1HZ LYS 60 10.252 -5.835 -9.669 436 HZ2 LYS 60 2HZ LYS 60 9.120 -6.509 -10.730 437 HZ3 LYS 60 3HZ LYS 60 10.649 -7.215 -10.564 438 H SER 61 H SER 61 6.541 -9.628 -6.118 439 HA SER 61 HA SER 61 3.872 -9.599 -4.993 440 HB2 SER 61 1HB SER 61 5.928 -11.821 -4.983 441 HB3 SER 61 2HB SER 61 4.212 -11.979 -4.609 442 HG SER 61 HG SER 61 5.412 -11.369 -7.099 443 H VAL 62 H VAL 62 3.479 -8.942 -2.997 444 HA VAL 62 HA VAL 62 5.586 -9.274 -0.960 445 HB VAL 62 HB VAL 62 4.886 -7.285 0.129 446 HG11 VAL 62 1HG1 VAL 62 4.627 -6.068 -2.491 447 HG12 VAL 62 2HG1 VAL 62 5.927 -5.931 -1.305 448 HG13 VAL 62 3HG1 VAL 62 5.908 -7.279 -2.443 449 HG21 VAL 62 1HG2 VAL 62 2.977 -5.929 -0.713 450 HG22 VAL 62 2HG2 VAL 62 2.566 -7.257 -1.798 451 HG23 VAL 62 3HG2 VAL 62 2.500 -7.492 -0.051 452 H GLU 63 H GLU 63 2.292 -9.809 -1.836 453 HA GLU 63 HA GLU 63 0.983 -10.131 0.548 454 HB2 GLU 63 1HB GLU 63 -0.542 -11.550 -0.569 455 HB3 GLU 63 2HB GLU 63 0.071 -10.455 -1.800 456 HG2 GLU 63 1HG GLU 63 1.351 -13.121 -1.395 457 HG3 GLU 63 2HG GLU 63 -0.146 -12.980 -2.316 458 H ALA 64 H ALA 64 3.436 -12.177 -0.851 459 HA ALA 64 HA ALA 64 3.004 -14.354 0.988 460 HB1 ALA 64 1HB ALA 64 5.549 -14.090 -0.521 461 HB2 ALA 64 2HB ALA 64 4.553 -15.514 -0.219 462 HB3 ALA 64 3HB ALA 64 4.061 -14.335 -1.435 463 H LEU 65 H LEU 65 5.206 -11.619 0.701 464 HA LEU 65 HA LEU 65 7.006 -12.356 2.731 465 HB2 LEU 65 1HB LEU 65 6.241 -9.779 1.434 466 HB3 LEU 65 2HB LEU 65 7.275 -9.757 2.861 467 HG LEU 65 HG LEU 65 7.954 -11.339 0.393 468 HD11 LEU 65 1HD1 LEU 65 9.622 -9.183 0.366 469 HD12 LEU 65 2HD1 LEU 65 8.093 -8.455 0.855 470 HD13 LEU 65 3HD1 LEU 65 8.191 -9.374 -0.647 471 HD21 LEU 65 1HD2 LEU 65 9.972 -11.726 1.365 472 HD22 LEU 65 2HD2 LEU 65 8.995 -11.583 2.827 473 HD23 LEU 65 3HD2 LEU 65 9.954 -10.211 2.269 474 H ASP 66 H ASP 66 7.240 -10.708 4.694 475 HA ASP 66 HA ASP 66 4.656 -10.767 6.109 476 HB2 ASP 66 1HB ASP 66 7.472 -11.228 7.049 477 HB3 ASP 66 2HB ASP 66 6.221 -10.726 8.183 478 H HIS 67 H HIS 67 4.938 -9.191 8.172 479 HA HIS 67 HA HIS 67 4.489 -6.650 7.408 480 HB2 HIS 67 1HB HIS 67 4.225 -7.371 9.718 481 HB3 HIS 67 2HB HIS 67 5.971 -7.502 9.904 482 HD1 HIS 67 1HD HIS 67 3.477 -5.416 11.021 483 HD2 HIS 67 2HD HIS 67 7.040 -4.661 9.023 484 HE1 HIS 67 1HE HIS 67 4.022 -3.010 11.506 485 HE2 HIS 67 2HE HIS 67 6.138 -2.552 10.217 486 H ASP 68 H ASP 68 7.690 -7.607 8.664 487 HA ASP 68 HA ASP 68 9.037 -5.299 7.883 488 HB2 ASP 68 1HB ASP 68 9.899 -8.096 8.512 489 HB3 ASP 68 2HB ASP 68 11.076 -6.962 7.855 490 H GLY 69 H GLY 69 8.537 -8.339 6.136 491 HA2 GLY 69 1HA GLY 69 10.183 -7.857 3.939 492 HA3 GLY 69 2HA GLY 69 8.734 -8.851 3.908 493 H VAL 70 H VAL 70 6.639 -7.455 3.936 494 HA VAL 70 HA VAL 70 6.457 -6.098 1.528 495 HB VAL 70 HB VAL 70 4.671 -5.705 3.932 496 HG11 VAL 70 1HG1 VAL 70 4.286 -4.004 2.271 497 HG12 VAL 70 2HG1 VAL 70 4.216 -5.217 0.991 498 HG13 VAL 70 3HG1 VAL 70 2.957 -5.163 2.227 499 HG21 VAL 70 1HG2 VAL 70 4.113 -7.843 3.675 500 HG22 VAL 70 2HG2 VAL 70 3.447 -7.416 2.099 501 HG23 VAL 70 3HG2 VAL 70 5.110 -7.989 2.228 502 H VAL 71 H VAL 71 6.579 -4.693 4.802 503 HA VAL 71 HA VAL 71 6.504 -2.016 4.135 504 HB VAL 71 HB VAL 71 8.026 -3.355 6.372 505 HG11 VAL 71 1HG1 VAL 71 9.067 -1.317 6.372 506 HG12 VAL 71 2HG1 VAL 71 7.683 -0.486 5.660 507 HG13 VAL 71 3HG1 VAL 71 7.658 -0.942 7.364 508 HG21 VAL 71 1HG2 VAL 71 5.384 -1.904 6.414 509 HG22 VAL 71 2HG2 VAL 71 5.555 -3.657 6.320 510 HG23 VAL 71 3HG2 VAL 71 6.136 -2.789 7.741 511 H GLU 72 H GLU 72 9.184 -4.264 3.953 512 HA GLU 72 HA GLU 72 11.253 -2.371 3.621 513 HB2 GLU 72 1HB GLU 72 11.644 -4.741 4.198 514 HB3 GLU 72 2HB GLU 72 11.106 -5.210 2.591 515 HG2 GLU 72 1HG GLU 72 13.024 -4.528 1.591 516 HG3 GLU 72 2HG GLU 72 13.312 -3.245 2.765 517 H MET 73 H MET 73 9.565 -4.367 1.191 518 HA MET 73 HA MET 73 10.663 -3.491 -1.116 519 HB2 MET 73 1HB MET 73 7.712 -3.900 -0.603 520 HB3 MET 73 2HB MET 73 8.452 -3.825 -2.196 521 HG2 MET 73 1HG MET 73 9.439 -5.812 -0.206 522 HG3 MET 73 2HG MET 73 7.943 -6.119 -1.085 523 HE1 MET 73 1HE MET 73 8.683 -8.241 -2.239 524 HE2 MET 73 2HE MET 73 7.874 -7.191 -3.404 525 HE3 MET 73 3HE MET 73 9.329 -8.073 -3.872 526 H ILE 74 H ILE 74 8.323 -1.734 0.851 527 HA ILE 74 HA ILE 74 7.995 0.417 -0.997 528 HB ILE 74 HB ILE 74 7.389 0.272 1.957 529 HG12 ILE 74 1HG1 ILE 74 5.337 0.290 -0.222 530 HG13 ILE 74 2HG1 ILE 74 6.185 -1.210 0.140 531 HG21 ILE 74 1HG2 ILE 74 7.567 2.538 0.327 532 HG22 ILE 74 2HG2 ILE 74 5.844 2.204 0.494 533 HG23 ILE 74 3HG2 ILE 74 6.842 2.425 1.931 534 HD11 ILE 74 1HD1 ILE 74 3.964 -0.839 1.288 535 HD12 ILE 74 2HD1 ILE 74 5.322 -1.289 2.320 536 HD13 ILE 74 3HD1 ILE 74 4.783 0.388 2.254 537 H ARG 75 H ARG 75 9.896 -0.028 1.968 538 HA ARG 75 HA ARG 75 10.987 2.551 2.088 539 HB2 ARG 75 1HB ARG 75 11.870 -0.120 3.140 540 HB3 ARG 75 2HB ARG 75 12.890 1.299 3.337 541 HG2 ARG 75 1HG ARG 75 11.078 2.434 4.526 542 HG3 ARG 75 2HG ARG 75 10.066 1.001 4.337 543 HD2 ARG 75 1HD ARG 75 10.892 0.605 6.426 544 HD3 ARG 75 2HD ARG 75 12.146 -0.177 5.464 545 HE ARG 75 HE ARG 75 12.961 2.434 5.782 546 HH11 ARG 75 2HH1 ARG 75 12.200 -0.252 7.862 547 HH12 ARG 75 1HH1 ARG 75 13.298 0.235 9.110 548 HH21 ARG 75 2HH2 ARG 75 14.410 3.086 7.418 549 HH22 ARG 75 1HH2 ARG 75 14.554 2.135 8.857 550 H LYS 76 H LYS 76 12.298 -0.427 0.648 551 HA LYS 76 HA LYS 76 14.674 0.737 -0.328 552 HB2 LYS 76 1HB LYS 76 15.011 -1.279 -1.517 553 HB3 LYS 76 2HB LYS 76 14.162 -1.736 -0.046 554 HG2 LYS 76 1HG LYS 76 12.233 -2.268 -1.158 555 HG3 LYS 76 2HG LYS 76 12.576 -1.175 -2.501 556 HD2 LYS 76 1HD LYS 76 13.007 -3.167 -3.527 557 HD3 LYS 76 2HD LYS 76 14.606 -2.845 -2.852 558 HE2 LYS 76 1HE LYS 76 12.609 -4.350 -1.225 559 HE3 LYS 76 2HE LYS 76 13.456 -5.180 -2.529 560 HZ1 LYS 76 1HZ LYS 76 15.521 -4.085 -1.371 561 HZ2 LYS 76 2HZ LYS 76 14.885 -5.551 -0.817 562 HZ3 LYS 76 3HZ LYS 76 14.507 -4.109 -0.017 563 H GLY 77 H GLY 77 11.489 1.199 -1.273 564 HA2 GLY 77 1HA GLY 77 12.111 1.705 -4.079 565 HA3 GLY 77 2HA GLY 77 10.523 1.793 -3.333 566 H GLY 78 H GLY 78 13.627 3.394 -2.609 567 HA2 GLY 78 1HA GLY 78 14.083 5.610 -2.184 568 HA3 GLY 78 2HA GLY 78 13.137 5.888 -3.639 569 H ASP 79 H ASP 79 12.145 7.758 -2.996 570 HA ASP 79 HA ASP 79 10.748 7.865 -0.456 571 HB2 ASP 79 1HB ASP 79 11.178 9.849 -2.684 572 HB3 ASP 79 2HB ASP 79 10.079 10.176 -1.347 573 H GLN 80 H GLN 80 10.001 7.598 -3.879 574 HA GLN 80 HA GLN 80 7.140 7.432 -3.223 575 HB2 GLN 80 1HB GLN 80 6.648 8.041 -5.455 576 HB3 GLN 80 2HB GLN 80 7.948 9.111 -4.948 577 HG2 GLN 80 1HG GLN 80 9.547 7.546 -6.076 578 HG3 GLN 80 2HG GLN 80 8.146 6.705 -6.737 579 HE21 GLN 80 1HE2 GLN 80 7.375 7.387 -8.608 580 HE22 GLN 80 2HE2 GLN 80 7.733 8.902 -9.358 581 H THR 81 H THR 81 5.876 5.733 -4.069 582 HA THR 81 HA THR 81 7.114 3.547 -5.475 583 HB THR 81 HB THR 81 7.881 2.986 -3.249 584 HG1 THR 81 1HG THR 81 7.332 0.961 -3.560 585 HG21 THR 81 1HG2 THR 81 5.027 2.851 -2.313 586 HG22 THR 81 2HG2 THR 81 5.999 4.311 -2.125 587 HG23 THR 81 3HG2 THR 81 6.504 2.809 -1.353 588 H THR 82 H THR 82 5.588 1.890 -6.084 589 HA THR 82 HA THR 82 2.858 2.944 -6.225 590 HB THR 82 HB THR 82 3.982 0.621 -7.790 591 HG1 THR 82 1HG THR 82 5.036 2.054 -8.920 592 HG21 THR 82 1HG2 THR 82 1.829 2.409 -8.785 593 HG22 THR 82 2HG2 THR 82 1.416 1.270 -7.504 594 HG23 THR 82 3HG2 THR 82 2.068 0.680 -9.033 595 H LEU 83 H LEU 83 1.125 1.900 -5.394 596 HA LEU 83 HA LEU 83 1.635 -0.647 -4.002 597 HB2 LEU 83 1HB LEU 83 -0.575 1.145 -3.146 598 HB3 LEU 83 2HB LEU 83 0.392 0.017 -2.199 599 HG LEU 83 HG LEU 83 1.036 2.832 -3.006 600 HD11 LEU 83 1HD1 LEU 83 1.777 2.624 -0.469 601 HD12 LEU 83 2HD1 LEU 83 0.595 1.316 -0.496 602 HD13 LEU 83 3HD1 LEU 83 0.107 2.953 -0.935 603 HD21 LEU 83 1HD2 LEU 83 2.880 0.601 -2.807 604 HD22 LEU 83 2HD2 LEU 83 3.249 1.879 -1.648 605 HD23 LEU 83 3HD2 LEU 83 3.155 2.249 -3.371 606 H LEU 84 H LEU 84 0.301 -2.321 -4.399 607 HA LEU 84 HA LEU 84 -1.975 -1.828 -6.202 608 HB2 LEU 84 1HB LEU 84 -0.090 -3.162 -7.130 609 HB3 LEU 84 2HB LEU 84 -0.391 -4.372 -5.884 610 HG LEU 84 HG LEU 84 -2.621 -4.777 -6.840 611 HD11 LEU 84 1HD1 LEU 84 -2.268 -3.587 -9.399 612 HD12 LEU 84 2HD1 LEU 84 -2.118 -2.333 -8.169 613 HD13 LEU 84 3HD1 LEU 84 -3.566 -3.337 -8.231 614 HD21 LEU 84 1HD2 LEU 84 -0.814 -5.032 -9.174 615 HD22 LEU 84 2HD2 LEU 84 -1.845 -6.235 -8.398 616 HD23 LEU 84 3HD2 LEU 84 -0.302 -5.791 -7.666 617 H VAL 85 H VAL 85 -3.699 -1.689 -4.871 618 HA VAL 85 HA VAL 85 -4.041 -3.729 -2.788 619 HB VAL 85 HB VAL 85 -5.555 -2.314 -1.703 620 HG11 VAL 85 1HG1 VAL 85 -4.125 -0.709 -1.074 621 HG12 VAL 85 2HG1 VAL 85 -3.029 -1.428 -2.256 622 HG13 VAL 85 3HG1 VAL 85 -4.017 -0.035 -2.700 623 HG21 VAL 85 1HG2 VAL 85 -6.442 -0.230 -2.791 624 HG22 VAL 85 2HG2 VAL 85 -5.773 -0.822 -4.312 625 HG23 VAL 85 3HG2 VAL 85 -7.029 -1.742 -3.484 626 H LEU 86 H LEU 86 -6.015 -4.873 -2.585 627 HA LEU 86 HA LEU 86 -7.324 -5.341 -5.157 628 HB2 LEU 86 1HB LEU 86 -6.316 -7.120 -3.477 629 HB3 LEU 86 2HB LEU 86 -7.913 -6.978 -2.744 630 HG LEU 86 HG LEU 86 -8.003 -8.845 -4.184 631 HD11 LEU 86 1HD1 LEU 86 -9.174 -6.891 -6.070 632 HD12 LEU 86 2HD1 LEU 86 -9.750 -6.843 -4.404 633 HD13 LEU 86 3HD1 LEU 86 -9.881 -8.332 -5.339 634 HD21 LEU 86 1HD2 LEU 86 -6.436 -8.995 -5.761 635 HD22 LEU 86 2HD2 LEU 86 -6.216 -7.246 -5.823 636 HD23 LEU 86 3HD2 LEU 86 -7.498 -8.008 -6.765 637 H ASP 87 H ASP 87 -9.402 -4.859 -5.552 638 HA ASP 87 HA ASP 87 -10.819 -3.176 -3.737 639 HB2 ASP 87 1HB ASP 87 -10.860 -3.330 -6.383 640 HB3 ASP 87 2HB ASP 87 -12.190 -4.442 -6.068 641 H LYS 88 H LYS 88 -11.996 -6.160 -5.287 642 HA LYS 88 HA LYS 88 -14.124 -6.735 -3.736 643 HB2 LYS 88 1HB LYS 88 -13.539 -8.158 -5.584 644 HB3 LYS 88 2HB LYS 88 -12.055 -8.666 -4.790 645 HG2 LYS 88 1HG LYS 88 -13.584 -10.449 -4.574 646 HG3 LYS 88 2HG LYS 88 -13.489 -9.677 -2.989 647 HD2 LYS 88 1HD LYS 88 -15.591 -8.679 -3.220 648 HD3 LYS 88 2HD LYS 88 -15.607 -8.906 -4.971 649 HE2 LYS 88 1HE LYS 88 -15.770 -11.339 -4.628 650 HE3 LYS 88 2HE LYS 88 -15.809 -11.078 -2.885 651 HZ1 LYS 88 1HZ LYS 88 -17.828 -10.176 -4.865 652 HZ2 LYS 88 2HZ LYS 88 -17.840 -9.736 -3.232 653 HZ3 LYS 88 3HZ LYS 88 -18.030 -11.358 -3.672 654 H GLU 89 H GLU 89 -10.753 -7.432 -2.902 655 HA GLU 89 HA GLU 89 -11.596 -8.333 -0.247 656 HB2 GLU 89 1HB GLU 89 -8.843 -8.385 -1.494 657 HB3 GLU 89 2HB GLU 89 -9.314 -9.139 0.022 658 HG2 GLU 89 1HG GLU 89 -10.707 -9.890 -2.506 659 HG3 GLU 89 2HG GLU 89 -9.122 -10.565 -2.135 660 H ALA 90 H ALA 90 -11.979 -5.633 -0.714 661 HA ALA 90 HA ALA 90 -9.756 -4.312 0.681 662 HB1 ALA 90 1HB ALA 90 -10.728 -3.445 -1.544 663 HB2 ALA 90 2HB ALA 90 -12.068 -2.864 -0.555 664 HB3 ALA 90 3HB ALA 90 -10.430 -2.290 -0.245 665 H GLU 91 H GLU 91 -13.245 -4.848 0.812 666 HA GLU 91 HA GLU 91 -13.781 -3.262 3.071 667 HB2 GLU 91 1HB GLU 91 -15.168 -5.575 1.764 668 HB3 GLU 91 2HB GLU 91 -15.747 -4.971 3.310 669 HG2 GLU 91 1HG GLU 91 -16.362 -2.919 2.426 670 HG3 GLU 91 2HG GLU 91 -15.320 -3.104 1.016 671 H SER 92 H SER 92 -13.481 -3.569 5.189 672 HA SER 92 HA SER 92 -12.731 -6.256 6.125 673 HB2 SER 92 1HB SER 92 -10.688 -4.921 5.929 674 HB3 SER 92 2HB SER 92 -11.407 -3.651 6.919 675 HG SER 92 HG SER 92 -10.016 -5.664 7.775 676 H ILE 93 H ILE 93 -14.534 -6.789 7.227 677 HA ILE 93 HA ILE 93 -16.287 -5.132 8.566 678 HB ILE 93 HB ILE 93 -15.549 -7.993 9.169 679 HG12 ILE 93 1HG1 ILE 93 -17.623 -6.633 7.480 680 HG13 ILE 93 2HG1 ILE 93 -16.544 -7.957 7.057 681 HG21 ILE 93 1HG2 ILE 93 -16.500 -6.915 11.158 682 HG22 ILE 93 2HG2 ILE 93 -17.901 -6.421 10.209 683 HG23 ILE 93 3HG2 ILE 93 -17.584 -8.134 10.487 684 HD11 ILE 93 1HD1 ILE 93 -18.886 -8.155 8.934 685 HD12 ILE 93 2HD1 ILE 93 -18.868 -8.680 7.250 686 HD13 ILE 93 3HD1 ILE 93 -17.831 -9.476 8.434 687 H TYR 94 H TYR 94 -16.598 -4.627 10.779 688 HA TYR 94 HA TYR 94 -14.304 -3.716 12.115 689 HB2 TYR 94 1HB TYR 94 -15.746 -2.918 13.773 690 HB3 TYR 94 2HB TYR 94 -16.766 -2.949 12.339 691 HD1 TYR 94 2HD TYR 94 -17.773 -5.554 12.054 692 HD2 TYR 94 1HD TYR 94 -16.906 -3.492 15.673 693 HE1 TYR 94 2HE TYR 94 -19.403 -6.962 13.240 694 HE2 TYR 94 1HE TYR 94 -18.534 -4.895 16.870 695 HH TYR 94 HH TYR 94 -20.830 -6.360 15.810 696 H SER 95 H SER 95 -13.397 -4.373 14.125 697 HA SER 95 HA SER 95 -12.967 -7.174 14.313 698 HB2 SER 95 1HB SER 95 -11.138 -5.852 14.973 699 HB3 SER 95 2HB SER 95 -12.138 -4.817 15.992 700 HG SER 95 HG SER 95 -11.056 -7.329 16.515 701 H LEU 96 H LEU 96 -13.642 -8.651 15.839 702 HA LEU 96 HA LEU 96 -16.187 -8.089 17.073 703 HB2 LEU 96 1HB LEU 96 -15.611 -10.238 15.921 704 HB3 LEU 96 2HB LEU 96 -14.531 -10.597 17.266 705 HG LEU 96 HG LEU 96 -17.399 -10.029 17.845 706 HD11 LEU 96 1HD1 LEU 96 -17.360 -12.745 17.625 707 HD12 LEU 96 2HD1 LEU 96 -16.410 -12.254 16.223 708 HD13 LEU 96 3HD1 LEU 96 -18.050 -11.640 16.435 709 HD21 LEU 96 1HD2 LEU 96 -16.830 -11.940 19.492 710 HD22 LEU 96 2HD2 LEU 96 -16.164 -10.333 19.783 711 HD23 LEU 96 3HD2 LEU 96 -15.155 -11.589 19.065 712 H SER 97 H SER 97 -15.992 -6.781 18.819 713 HA SER 97 HA SER 97 -14.894 -7.914 21.217 714 HB2 SER 97 1HB SER 97 -13.384 -5.983 21.700 715 HB3 SER 97 2HB SER 97 -12.840 -6.972 20.345 716 HG SER 97 HG SER 97 -14.185 -4.477 20.225 717 H GLY 98 H GLY 98 -15.235 -6.420 23.112 718 HA2 GLY 98 1HA GLY 98 -16.437 -4.747 24.221 719 HA3 GLY 98 2HA GLY 98 -17.199 -4.316 22.697 720 HA PRO 99 HA PRO 99 -19.780 -7.326 25.454 721 HB2 PRO 99 1HB PRO 99 -21.025 -5.611 27.152 722 HB3 PRO 99 2HB PRO 99 -19.505 -6.422 27.549 723 HG2 PRO 99 1HG PRO 99 -19.962 -3.637 26.550 724 HG3 PRO 99 2HG PRO 99 -18.865 -4.204 27.823 725 HD2 PRO 99 1HD PRO 99 -18.015 -3.630 25.317 726 HD3 PRO 99 2HD PRO 99 -17.266 -4.894 26.313 727 H SER 100 H SER 100 -21.245 -7.726 23.889 728 HA SER 100 HA SER 100 -23.020 -5.553 23.024 729 HB2 SER 100 1HB SER 100 -23.458 -6.817 21.051 730 HB3 SER 100 2HB SER 100 -21.718 -6.918 21.319 731 HG SER 100 HG SER 100 -23.643 -8.880 22.031 732 H SER 101 H SER 101 -25.261 -5.789 23.038 733 HA SER 101 HA SER 101 -27.254 -6.347 23.990 734 HB2 SER 101 1HB SER 101 -26.053 -9.047 23.403 735 HB3 SER 101 2HB SER 101 -27.659 -8.890 24.114 736 HG SER 101 HG SER 101 -27.876 -8.974 21.894 737 H GLY 102 H GLY 102 -25.359 -5.559 25.839 738 HA2 GLY 102 1HA GLY 102 -26.039 -5.625 28.245 739 HA3 GLY 102 2HA GLY 102 -25.896 -7.371 28.112
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